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 1hpu_1_C DATA FIRST_RESID 26 DATA SEQUENCE YEQDKTYKIT VLHTNDHHGH FWRNEYGEYG LAAQKTLVDG IRKEVAAEGG DATA SEQUENCE SVLLLSGGDI NTGVPESDLQ DAEPDFRGMN LVGYDAMAIG NHEFDNPLTV DATA SEQUENCE LRQQEKWAKF PLLSANIYQK STGERLFKPW ALFKRQDLKI AVIGLTTDDT DATA SEQUENCE AKIGNPEYFT DIEFRKPADE AKLVIQELQQ TEKPDIIIAA THMGHYDNGE DATA SEQUENCE HGSNAPGDVE MARALPAGSL AMIVGGHSQD PVcMAAENKK QVDYVPGTPc DATA SEQUENCE KPDQQNGIWI VQAHEWGKYV GRADFEFRNG EMKMVNYQLI PVNLKKKVTW DATA SEQUENCE EDGKSERVLY TPEIAENQQM ISLLSPFQNK GKAQLEVKIG ETNGRLEGDR DATA SEQUENCE DKVRFVQTNM GRLILAAQMD RTGADFAVMS GGGIRDSIEA GDISYKNVLK DATA SEQUENCE VQPFGNVVVY ADMTGKEVID YLTAVAQMKP DSGAYPQFAN VSFVAKDGKL DATA SEQUENCE NDLKIKGEPV DPAKTYRMAT LNFNATGGDG YPRLDNKPGY VNTGFIDAEV DATA SEQUENCE LKAYIQKSSP LDVSVYEPKG EVSWQ 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 26 Y HA 0.000 nan 4.550 nan 0.000 0.201 26 Y C 0.000 176.030 175.900 0.217 0.000 1.272 26 Y CA 0.000 58.183 58.100 0.138 0.000 1.940 26 Y CB 0.000 38.553 38.460 0.154 0.000 1.050 27 E N 1.896 122.470 120.200 0.624 0.000 2.130 27 E HA 0.266 4.616 4.350 0.000 0.000 0.284 27 E C -0.631 176.253 176.600 0.473 0.000 1.018 27 E CA -0.837 55.798 56.400 0.392 0.000 0.817 27 E CB 0.944 30.806 29.700 0.271 0.000 1.078 27 E HN 0.604 nan 8.360 nan 0.000 0.396 28 Q N 3.662 123.649 119.800 0.313 0.000 2.310 28 Q HA -0.137 4.204 4.340 0.000 0.000 0.315 28 Q C -0.396 175.722 176.000 0.198 0.000 1.081 28 Q CA 1.560 57.537 55.803 0.290 0.000 0.981 28 Q CB 0.273 29.100 28.738 0.148 0.000 1.184 28 Q HN 0.710 nan 8.270 nan 0.000 0.389 29 D N 0.566 121.064 120.400 0.163 0.000 2.978 29 D HA -0.224 4.416 4.640 0.000 0.000 0.205 29 D C -0.574 175.752 176.300 0.043 0.000 1.093 29 D CA 1.516 55.561 54.000 0.075 0.000 1.006 29 D CB -0.745 40.086 40.800 0.052 0.000 1.116 29 D HN 0.652 nan 8.370 nan 0.000 0.419 30 K N 0.847 121.288 120.400 0.068 0.000 2.249 30 K HA 0.300 4.621 4.320 0.000 0.000 0.280 30 K C -0.541 176.007 176.600 -0.088 0.000 1.033 30 K CA 0.101 56.346 56.287 -0.070 0.000 0.946 30 K CB 0.786 33.169 32.500 -0.195 0.000 1.005 30 K HN -0.193 nan 8.250 nan 0.000 0.469 31 T N 4.294 118.772 114.554 -0.126 0.000 2.744 31 T HA 0.233 4.584 4.350 0.000 0.000 0.291 31 T C -1.085 173.571 174.700 -0.074 0.000 0.957 31 T CA -0.196 61.888 62.100 -0.027 0.000 1.002 31 T CB 0.018 68.880 68.868 -0.009 0.000 0.919 31 T HN 0.323 nan 8.240 nan 0.000 0.468 32 Y N 2.281 122.657 120.300 0.126 0.000 2.342 32 Y HA 0.405 4.955 4.550 0.000 0.000 0.334 32 Y C 0.875 176.846 175.900 0.118 0.000 1.067 32 Y CA -0.815 57.361 58.100 0.128 0.000 1.128 32 Y CB 1.112 39.669 38.460 0.161 0.000 1.200 32 Y HN 0.343 nan 8.280 nan 0.000 0.464 33 K N 4.652 125.182 120.400 0.217 0.000 2.213 33 K HA 0.623 4.943 4.320 0.000 0.000 0.270 33 K C -1.170 175.521 176.600 0.152 0.000 1.002 33 K CA -0.317 56.064 56.287 0.157 0.000 0.868 33 K CB 1.193 33.746 32.500 0.088 0.000 1.093 33 K HN 0.575 nan 8.250 nan 0.000 0.454 34 I N 2.046 122.714 120.570 0.163 0.000 2.512 34 I HA 0.168 4.338 4.170 0.000 0.000 0.287 34 I C -0.598 175.614 176.117 0.158 0.000 1.069 34 I CA -0.595 60.782 61.300 0.130 0.000 1.056 34 I CB 2.420 40.478 38.000 0.096 0.000 1.229 34 I HN 0.453 nan 8.210 nan 0.000 0.429 35 T N 5.572 120.180 114.554 0.090 0.000 2.779 35 T HA 0.480 4.830 4.350 0.000 0.000 0.280 35 T C -0.333 174.408 174.700 0.068 0.000 0.987 35 T CA -0.399 61.747 62.100 0.077 0.000 0.966 35 T CB 1.659 70.536 68.868 0.014 0.000 0.933 35 T HN 0.154 nan 8.240 nan 0.000 0.442 36 V N 5.796 125.787 119.914 0.128 0.000 2.370 36 V HA 0.480 4.600 4.120 0.000 0.000 0.283 36 V C -0.152 176.007 176.094 0.108 0.000 1.023 36 V CA -0.768 61.594 62.300 0.104 0.000 0.857 36 V CB 1.153 33.078 31.823 0.170 0.000 0.985 36 V HN 0.711 nan 8.190 nan 0.000 0.443 37 L N 5.676 126.923 121.223 0.040 0.000 2.331 37 L HA 0.789 5.129 4.340 0.000 0.000 0.275 37 L C -0.385 176.547 176.870 0.103 0.000 1.022 37 L CA -0.627 54.227 54.840 0.022 0.000 0.812 37 L CB 1.729 43.727 42.059 -0.102 0.000 1.257 37 L HN 0.960 nan 8.230 nan 0.000 0.435 38 H N -0.857 118.206 119.070 -0.012 0.000 3.046 38 H HA 0.771 5.327 4.556 0.001 0.000 0.361 38 H C -1.093 174.289 175.328 0.090 0.000 1.235 38 H CA -0.820 55.256 56.048 0.046 0.000 1.146 38 H CB 1.843 31.655 29.762 0.084 0.000 1.859 38 H HN 0.569 nan 8.280 nan 0.000 0.548 39 T N 0.363 115.010 114.554 0.154 0.000 2.812 39 T HA 0.621 4.971 4.350 0.000 0.000 0.294 39 T C -1.102 173.720 174.700 0.203 0.000 1.159 39 T CA -0.910 61.271 62.100 0.136 0.000 1.008 39 T CB 2.131 71.112 68.868 0.189 0.000 1.289 39 T HN 1.151 nan 8.240 nan 0.000 0.514 40 N N -0.896 117.908 118.700 0.174 0.000 3.127 40 N HA 0.243 4.984 4.740 0.000 0.000 0.239 40 N C -1.808 173.804 175.510 0.169 0.000 1.407 40 N CA -0.673 52.488 53.050 0.184 0.000 0.891 40 N CB 0.797 39.418 38.487 0.224 0.000 1.447 40 N HN 0.841 nan 8.380 nan 0.000 0.507 41 D N -0.301 120.196 120.400 0.160 0.000 2.697 41 D HA -0.207 4.433 4.640 0.000 0.000 0.238 41 D C 0.702 177.074 176.300 0.120 0.000 1.152 41 D CA 1.183 55.239 54.000 0.094 0.000 0.666 41 D CB -1.322 39.665 40.800 0.311 0.000 1.037 41 D HN 0.708 nan 8.370 nan 0.000 0.423 42 H N 0.734 119.767 119.070 -0.062 0.000 2.387 42 H HA -0.117 4.439 4.556 0.000 0.000 0.299 42 H C 0.748 176.179 175.328 0.171 0.000 1.090 42 H CA 2.082 58.145 56.048 0.026 0.000 1.332 42 H CB 0.178 29.884 29.762 -0.093 0.000 1.386 42 H HN 0.451 nan 8.280 nan 0.000 0.516 43 H N -0.760 118.388 119.070 0.130 0.000 2.506 43 H HA -0.160 4.396 4.556 0.000 0.000 0.323 43 H C 1.482 176.687 175.328 -0.205 0.000 1.076 43 H CA 1.158 57.209 56.048 0.005 0.000 1.108 43 H CB -1.732 28.068 29.762 0.064 0.000 1.569 43 H HN 0.828 nan 8.280 nan 0.000 0.399 44 G N 0.094 108.851 108.800 -0.071 0.000 2.166 44 G HA2 -0.362 3.599 3.960 0.000 0.000 0.260 44 G HA3 -0.362 3.599 3.960 0.000 0.000 0.260 44 G C 0.266 174.927 174.900 -0.399 0.000 0.986 44 G CA 0.731 45.758 45.100 -0.122 0.000 0.683 44 G HN 0.743 nan 8.290 nan 0.000 0.527 45 H N 0.148 118.817 119.070 -0.669 0.000 2.794 45 H HA 0.361 4.917 4.556 0.000 0.000 0.256 45 H C 1.706 176.912 175.328 -0.203 0.000 1.637 45 H CA 0.150 55.885 56.048 -0.521 0.000 1.222 45 H CB -0.802 28.630 29.762 -0.549 0.000 1.545 45 H HN 0.578 nan 8.280 nan 0.000 0.518 46 F N -2.227 117.820 119.950 0.162 0.000 2.293 46 F HA -0.030 4.497 4.527 -0.000 0.000 0.300 46 F C 0.790 176.773 175.800 0.305 0.000 1.086 46 F CA -0.171 58.010 58.000 0.301 0.000 1.375 46 F CB -0.017 39.110 39.000 0.212 0.000 1.045 46 F HN 0.227 nan 8.300 nan 0.000 0.516 47 W N 4.839 125.786 121.300 -0.588 0.000 2.516 47 W HA 0.350 5.010 4.660 -0.001 0.000 0.343 47 W C 0.167 176.605 176.519 -0.135 0.000 1.094 47 W CA -1.459 55.691 57.345 -0.323 0.000 1.250 47 W CB 1.192 30.313 29.460 -0.566 0.000 1.308 47 W HN -0.056 nan 8.180 nan 0.000 0.588 48 R N 2.790 123.040 120.500 -0.417 0.000 2.784 48 R HA 0.034 4.374 4.340 0.000 0.000 0.266 48 R C 0.347 176.529 176.300 -0.197 0.000 1.044 48 R CA -0.164 55.742 56.100 -0.324 0.000 1.151 48 R CB 0.139 30.187 30.300 -0.420 0.000 1.037 48 R HN 0.456 nan 8.270 nan 0.000 0.478 49 N N 0.204 118.678 118.700 -0.377 0.000 2.431 49 N HA -0.101 4.639 4.740 0.000 0.000 0.289 49 N C 0.445 175.826 175.510 -0.215 0.000 1.277 49 N CA -0.097 52.812 53.050 -0.235 0.000 0.972 49 N CB 0.135 38.460 38.487 -0.270 0.000 1.143 49 N HN 0.856 nan 8.380 nan 0.000 0.578 50 E N -1.712 118.311 120.200 -0.295 0.000 2.472 50 E HA -0.167 4.183 4.350 0.000 0.000 0.200 50 E C -0.111 176.182 176.600 -0.511 0.000 1.046 50 E CA 0.913 57.067 56.400 -0.411 0.000 0.871 50 E CB -0.436 28.949 29.700 -0.524 0.000 0.806 50 E HN 0.648 nan 8.360 nan 0.000 0.533 51 Y N -0.315 119.929 120.300 -0.093 0.000 2.584 51 Y HA 0.399 4.949 4.550 0.000 0.000 0.254 51 Y C 1.413 177.241 175.900 -0.120 0.000 1.177 51 Y CA -0.207 57.841 58.100 -0.085 0.000 1.216 51 Y CB 1.177 39.593 38.460 -0.073 0.000 1.172 51 Y HN 0.178 nan 8.280 nan 0.000 0.529 52 G N 0.425 109.179 108.800 -0.077 0.000 2.143 52 G HA2 -0.273 3.687 3.960 0.000 0.000 0.248 52 G HA3 -0.273 3.687 3.960 0.000 0.000 0.248 52 G C -0.034 174.753 174.900 -0.189 0.000 0.991 52 G CA -0.016 45.008 45.100 -0.126 0.000 0.689 52 G HN 0.419 nan 8.290 nan 0.000 0.522 53 E N -0.220 119.798 120.200 -0.303 0.000 2.313 53 E HA 0.517 4.867 4.350 0.000 0.000 0.272 53 E C 1.125 177.293 176.600 -0.721 0.000 1.038 53 E CA -0.457 55.692 56.400 -0.419 0.000 0.863 53 E CB 0.643 30.094 29.700 -0.415 0.000 1.060 53 E HN 0.960 nan 8.360 nan 0.000 0.402 54 Y N 0.444 120.720 120.300 -0.040 0.000 2.849 54 Y HA -0.353 4.197 4.550 0.001 0.000 0.459 54 Y C 0.558 176.424 175.900 -0.056 0.000 1.175 54 Y CA 0.499 58.573 58.100 -0.042 0.000 2.500 54 Y CB -1.920 36.523 38.460 -0.028 0.000 1.208 54 Y HN 1.036 nan 8.280 nan 0.000 0.638 55 G N -1.199 107.806 108.800 0.343 0.000 2.675 55 G HA2 0.006 3.966 3.960 0.000 0.000 0.686 55 G HA3 0.006 3.966 3.960 0.000 0.000 0.686 55 G C -0.226 174.758 174.900 0.139 0.000 1.215 55 G CA -0.377 44.814 45.100 0.150 0.000 0.777 55 G HN 1.236 nan 8.290 nan 0.000 0.638 56 L N 0.958 122.286 121.223 0.175 0.000 2.313 56 L HA 0.090 4.430 4.340 0.000 0.000 0.214 56 L C 3.151 180.065 176.870 0.073 0.000 1.119 56 L CA 1.680 56.613 54.840 0.155 0.000 0.809 56 L CB -0.591 41.586 42.059 0.197 0.000 0.933 56 L HN 0.886 nan 8.230 nan 0.000 0.449 57 A N 0.329 123.155 122.820 0.009 0.000 1.898 57 A HA -0.115 4.205 4.320 0.000 0.000 0.216 57 A C 2.523 180.087 177.584 -0.032 0.000 1.181 57 A CA 1.602 53.621 52.037 -0.030 0.000 0.620 57 A CB -0.517 18.412 19.000 -0.118 0.000 0.819 57 A HN 0.362 nan 8.150 nan 0.000 0.442 58 A N -0.984 121.810 122.820 -0.045 0.000 1.968 58 A HA -0.149 4.171 4.320 0.000 0.000 0.217 58 A C 2.152 179.735 177.584 -0.002 0.000 1.169 58 A CA 1.608 53.627 52.037 -0.031 0.000 0.638 58 A CB -0.487 18.490 19.000 -0.038 0.000 0.812 58 A HN 0.651 nan 8.150 nan 0.000 0.446 59 Q N -0.256 119.558 119.800 0.024 0.000 2.119 59 Q HA -0.242 4.098 4.340 0.000 0.000 0.201 59 Q C 2.054 178.058 176.000 0.007 0.000 0.972 59 Q CA 1.948 57.769 55.803 0.030 0.000 0.847 59 Q CB -0.101 28.683 28.738 0.077 0.000 0.903 59 Q HN 0.524 nan 8.270 nan 0.000 0.433 60 K N -0.116 120.294 120.400 0.015 0.000 2.032 60 K HA -0.120 4.200 4.320 0.000 0.000 0.209 60 K C 1.862 178.455 176.600 -0.011 0.000 1.048 60 K CA 2.332 58.622 56.287 0.004 0.000 0.927 60 K CB -0.688 31.824 32.500 0.019 0.000 0.712 60 K HN 0.151 nan 8.250 nan 0.000 0.441 61 T N 1.463 116.010 114.554 -0.011 0.000 2.720 61 T HA -0.142 4.209 4.350 0.000 0.000 0.268 61 T C 1.614 176.301 174.700 -0.021 0.000 1.037 61 T CA 1.399 63.489 62.100 -0.016 0.000 1.144 61 T CB -0.351 68.507 68.868 -0.017 0.000 0.864 61 T HN 0.219 nan 8.240 nan 0.000 0.444 62 L N 1.368 122.577 121.223 -0.023 0.000 1.994 62 L HA -0.052 4.288 4.340 0.000 0.000 0.208 62 L C 2.458 179.302 176.870 -0.044 0.000 1.071 62 L CA 1.644 56.466 54.840 -0.030 0.000 0.745 62 L CB -0.829 41.214 42.059 -0.027 0.000 0.892 62 L HN 0.083 nan 8.230 nan 0.000 0.431 63 V N -0.062 119.819 119.914 -0.055 0.000 2.343 63 V HA -0.283 3.837 4.120 0.000 0.000 0.247 63 V C 2.324 178.381 176.094 -0.062 0.000 1.051 63 V CA 1.871 64.124 62.300 -0.079 0.000 1.036 63 V CB -0.903 30.850 31.823 -0.117 0.000 0.654 63 V HN 0.457 nan 8.190 nan 0.000 0.451 64 D N 0.812 121.186 120.400 -0.044 0.000 2.104 64 D HA -0.137 4.503 4.640 0.000 0.000 0.194 64 D C 2.228 178.511 176.300 -0.028 0.000 0.994 64 D CA 1.762 55.743 54.000 -0.031 0.000 0.830 64 D CB -0.653 40.136 40.800 -0.018 0.000 0.959 64 D HN 0.462 nan 8.370 nan 0.000 0.452 65 G N 0.421 109.204 108.800 -0.028 0.000 2.422 65 G HA2 -0.196 3.765 3.960 0.000 0.000 0.218 65 G HA3 -0.196 3.765 3.960 0.000 0.000 0.218 65 G C 1.824 176.706 174.900 -0.030 0.000 1.146 65 G CA 0.327 45.412 45.100 -0.026 0.000 0.769 65 G HN 0.275 nan 8.290 nan 0.000 0.547 66 I N 0.036 120.582 120.570 -0.040 0.000 2.252 66 I HA -0.124 4.046 4.170 0.000 0.000 0.245 66 I C 3.030 179.124 176.117 -0.038 0.000 1.102 66 I CA 0.850 62.123 61.300 -0.044 0.000 1.385 66 I CB -0.173 37.791 38.000 -0.060 0.000 1.064 66 I HN 0.069 nan 8.210 nan 0.000 0.414 67 R N 0.684 121.159 120.500 -0.041 0.000 2.091 67 R HA -0.225 4.115 4.340 0.000 0.000 0.238 67 R C 2.323 178.612 176.300 -0.019 0.000 1.136 67 R CA 1.500 57.581 56.100 -0.032 0.000 0.959 67 R CB -0.319 29.961 30.300 -0.034 0.000 0.856 67 R HN 0.299 nan 8.270 nan 0.000 0.437 68 K N 1.049 121.438 120.400 -0.018 0.000 2.057 68 K HA -0.203 4.118 4.320 0.000 0.000 0.207 68 K C 2.130 178.724 176.600 -0.010 0.000 1.049 68 K CA 1.559 57.839 56.287 -0.011 0.000 0.931 68 K CB 0.004 32.498 32.500 -0.011 0.000 0.714 68 K HN 0.132 nan 8.250 nan 0.000 0.440 69 E N 0.344 120.535 120.200 -0.015 0.000 2.077 69 E HA -0.154 4.196 4.350 0.000 0.000 0.193 69 E C 1.845 178.438 176.600 -0.011 0.000 0.989 69 E CA 1.308 57.700 56.400 -0.014 0.000 0.800 69 E CB 0.121 29.809 29.700 -0.020 0.000 0.746 69 E HN 0.176 nan 8.360 nan 0.000 0.452 70 V N 1.321 121.228 119.914 -0.012 0.000 2.453 70 V HA -0.184 3.936 4.120 0.000 0.000 0.247 70 V C 2.547 178.643 176.094 0.004 0.000 1.048 70 V CA 1.594 63.891 62.300 -0.004 0.000 1.049 70 V CB -0.622 31.198 31.823 -0.006 0.000 0.672 70 V HN 0.401 nan 8.190 nan 0.000 0.457 71 A N 0.039 122.860 122.820 0.002 0.000 1.972 71 A HA -0.064 4.256 4.320 0.000 0.000 0.219 71 A C 2.344 179.933 177.584 0.007 0.000 1.169 71 A CA 1.835 53.877 52.037 0.008 0.000 0.635 71 A CB -0.587 18.417 19.000 0.006 0.000 0.810 71 A HN 0.559 nan 8.150 nan 0.000 0.446 72 A N -0.501 122.321 122.820 0.002 0.000 2.066 72 A HA -0.040 4.280 4.320 0.000 0.000 0.218 72 A C 1.676 179.261 177.584 0.001 0.000 1.157 72 A CA 1.184 53.222 52.037 0.001 0.000 0.670 72 A CB -0.246 18.753 19.000 -0.002 0.000 0.804 72 A HN 0.579 nan 8.150 nan 0.000 0.453 73 E N -1.267 118.934 120.200 0.002 0.000 2.463 73 E HA 0.244 4.594 4.350 0.000 0.000 0.193 73 E C 1.010 177.614 176.600 0.008 0.000 1.041 73 E CA 0.288 56.690 56.400 0.003 0.000 0.879 73 E CB 0.041 29.742 29.700 0.001 0.000 0.997 73 E HN 0.691 nan 8.360 nan 0.000 0.478 74 G N 1.477 110.283 108.800 0.011 0.000 2.162 74 G HA2 -0.276 3.684 3.960 0.000 0.000 0.260 74 G HA3 -0.276 3.684 3.960 0.000 0.000 0.260 74 G C 0.557 175.477 174.900 0.034 0.000 0.976 74 G CA 0.119 45.230 45.100 0.017 0.000 0.655 74 G HN 0.488 nan 8.290 nan 0.000 0.533 75 G N -0.914 107.908 108.800 0.037 0.000 2.543 75 G HA2 0.705 4.666 3.960 0.000 0.000 0.267 75 G HA3 0.705 4.666 3.960 0.000 0.000 0.267 75 G C -0.051 174.880 174.900 0.052 0.000 1.406 75 G CA 0.507 45.641 45.100 0.057 0.000 1.048 75 G HN 0.905 nan 8.290 nan 0.000 0.548 76 S N -2.184 113.547 115.700 0.053 0.000 2.599 76 S HA 0.668 5.138 4.470 0.000 0.000 0.287 76 S C -0.945 173.659 174.600 0.007 0.000 1.105 76 S CA -0.443 57.775 58.200 0.030 0.000 0.899 76 S CB 2.117 65.337 63.200 0.033 0.000 1.100 76 S HN 0.472 nan 8.310 nan 0.000 0.482 77 V N 2.242 122.143 119.914 -0.021 0.000 2.656 77 V HA 0.576 4.696 4.120 0.000 0.000 0.307 77 V C -0.949 175.084 176.094 -0.101 0.000 1.051 77 V CA -0.576 61.694 62.300 -0.050 0.000 0.893 77 V CB 1.691 33.478 31.823 -0.060 0.000 0.999 77 V HN 0.713 nan 8.190 nan 0.000 0.426 78 L N 4.703 125.851 121.223 -0.125 0.000 2.381 78 L HA 0.606 4.946 4.340 0.000 0.000 0.274 78 L C -1.318 175.437 176.870 -0.191 0.000 0.988 78 L CA -0.720 53.989 54.840 -0.219 0.000 0.824 78 L CB 1.966 43.883 42.059 -0.236 0.000 1.263 78 L HN 0.513 nan 8.230 nan 0.000 0.410 79 L N 5.627 126.696 121.223 -0.256 0.000 2.319 79 L HA 0.635 4.975 4.340 0.000 0.000 0.281 79 L C -1.303 175.433 176.870 -0.224 0.000 1.005 79 L CA 0.015 54.677 54.840 -0.297 0.000 0.828 79 L CB 1.241 42.992 42.059 -0.513 0.000 1.227 79 L HN 0.412 nan 8.230 nan 0.000 0.415 80 L N 3.339 124.531 121.223 -0.052 0.000 2.341 80 L HA 0.703 5.043 4.340 0.000 0.000 0.267 80 L C -0.157 176.865 176.870 0.253 0.000 1.009 80 L CA -0.717 54.183 54.840 0.099 0.000 0.819 80 L CB 2.104 44.215 42.059 0.086 0.000 1.323 80 L HN 0.639 nan 8.230 nan 0.000 0.425 81 S N -0.335 115.513 115.700 0.248 0.000 2.513 81 S HA 0.558 5.028 4.470 0.000 0.000 0.299 81 S C 0.594 175.297 174.600 0.173 0.000 1.087 81 S CA -0.230 58.088 58.200 0.198 0.000 1.012 81 S CB 1.722 64.903 63.200 -0.032 0.000 1.044 81 S HN 0.796 nan 8.310 nan 0.000 0.485 82 G N 1.857 110.774 108.800 0.195 0.000 3.088 82 G HA2 0.492 4.452 3.960 0.000 0.000 0.212 82 G HA3 0.492 4.452 3.960 0.000 0.000 0.212 82 G C 0.908 175.981 174.900 0.289 0.000 1.173 82 G CA 0.203 45.444 45.100 0.235 0.000 0.779 82 G HN 1.569 nan 8.290 nan 0.000 0.540 83 G N 0.053 108.945 108.800 0.152 0.000 2.728 83 G HA2 0.072 4.032 3.960 0.000 0.000 0.294 83 G HA3 0.072 4.032 3.960 0.000 0.000 0.294 83 G C -0.228 174.640 174.900 -0.054 0.000 1.342 83 G CA -0.107 45.016 45.100 0.038 0.000 0.866 83 G HN 0.691 nan 8.290 nan 0.000 0.534 84 D N -1.250 119.025 120.400 -0.209 0.000 2.760 84 D HA -0.132 4.509 4.640 0.000 0.000 0.244 84 D C 1.507 177.613 176.300 -0.324 0.000 1.123 84 D CA 1.004 54.873 54.000 -0.219 0.000 0.719 84 D CB -0.761 39.956 40.800 -0.138 0.000 1.045 84 D HN 0.590 nan 8.370 nan 0.000 0.426 85 I N -0.713 119.775 120.570 -0.138 0.000 2.480 85 I HA -0.046 4.124 4.170 0.000 0.000 0.251 85 I C 1.381 177.491 176.117 -0.010 0.000 1.124 85 I CA 0.700 61.922 61.300 -0.130 0.000 1.444 85 I CB -0.454 37.312 38.000 -0.391 0.000 1.098 85 I HN 0.187 nan 8.210 nan 0.000 0.428 86 N N 2.001 120.750 118.700 0.081 0.000 2.525 86 N HA 0.085 4.825 4.740 0.000 0.000 0.271 86 N C -0.307 175.307 175.510 0.175 0.000 1.194 86 N CA 0.638 53.788 53.050 0.167 0.000 0.964 86 N CB 0.700 39.327 38.487 0.233 0.000 1.126 86 N HN 0.140 nan 8.380 nan 0.000 0.452 87 T N 0.027 114.652 114.554 0.118 0.000 0.564 87 T HA -0.010 4.340 4.350 0.000 0.000 0.771 87 T C 0.801 175.466 174.700 -0.059 0.000 0.992 87 T CA 0.776 62.890 62.100 0.022 0.000 4.064 87 T CB -1.091 67.805 68.868 0.046 0.000 2.295 87 T HN 0.973 nan 8.240 nan 0.000 0.396 88 G N 0.729 109.412 108.800 -0.195 0.000 3.254 88 G HA2 0.279 4.239 3.960 0.000 0.000 0.219 88 G HA3 0.279 4.239 3.960 0.000 0.000 0.219 88 G C -0.322 174.323 174.900 -0.425 0.000 0.964 88 G CA 0.107 45.029 45.100 -0.296 0.000 0.823 88 G HN 1.412 nan 8.290 nan 0.000 0.579 89 V N 1.499 121.181 119.914 -0.387 0.000 2.567 89 V HA 0.366 4.486 4.120 0.000 0.000 0.298 89 V C -1.444 174.507 176.094 -0.239 0.000 1.047 89 V CA -0.947 61.106 62.300 -0.410 0.000 0.880 89 V CB 2.410 33.880 31.823 -0.589 0.000 1.009 89 V HN 0.002 nan 8.190 nan 0.000 0.429 90 P HA -0.223 nan 4.420 nan 0.000 0.219 90 P C 1.322 178.573 177.300 -0.082 0.000 1.158 90 P CA 1.542 64.544 63.100 -0.163 0.000 0.895 90 P CB 0.450 32.026 31.700 -0.206 0.000 0.792 91 E N -1.012 119.157 120.200 -0.052 0.000 2.118 91 E HA -0.169 4.181 4.350 0.000 0.000 0.195 91 E C 2.211 178.912 176.600 0.168 0.000 0.992 91 E CA 1.668 58.111 56.400 0.073 0.000 0.804 91 E CB -0.958 28.825 29.700 0.137 0.000 0.741 91 E HN 0.178 nan 8.360 nan 0.000 0.458 92 S N -0.002 115.819 115.700 0.202 0.000 2.348 92 S HA -0.137 4.334 4.470 0.000 0.000 0.219 92 S C 1.346 175.986 174.600 0.066 0.000 1.033 92 S CA 1.141 59.449 58.200 0.179 0.000 0.974 92 S CB -0.264 63.059 63.200 0.205 0.000 0.868 92 S HN 0.130 nan 8.310 nan 0.000 0.459 93 D N 1.814 122.226 120.400 0.020 0.000 2.133 93 D HA -0.096 4.544 4.640 0.000 0.000 0.195 93 D C 1.790 178.113 176.300 0.037 0.000 0.997 93 D CA 1.132 55.141 54.000 0.015 0.000 0.840 93 D CB -0.526 40.245 40.800 -0.048 0.000 0.947 93 D HN 0.412 nan 8.370 nan 0.000 0.452 94 L N -0.043 121.195 121.223 0.025 0.000 2.465 94 L HA -0.052 4.288 4.340 0.000 0.000 0.224 94 L C 1.283 178.194 176.870 0.069 0.000 1.145 94 L CA 0.762 55.628 54.840 0.043 0.000 0.834 94 L CB -0.221 41.854 42.059 0.027 0.000 0.944 94 L HN -0.001 nan 8.230 nan 0.000 0.451 95 Q N -0.971 118.870 119.800 0.069 0.000 2.157 95 Q HA 0.084 4.424 4.340 0.000 0.000 0.229 95 Q C -0.634 175.427 176.000 0.102 0.000 0.827 95 Q CA -0.313 55.536 55.803 0.078 0.000 1.055 95 Q CB 0.751 29.515 28.738 0.044 0.000 1.157 95 Q HN 0.167 nan 8.270 nan 0.000 0.482 96 D N 0.952 121.432 120.400 0.134 0.000 2.701 96 D HA -0.257 4.383 4.640 0.000 0.000 0.235 96 D C 0.480 176.935 176.300 0.259 0.000 1.155 96 D CA 1.168 55.288 54.000 0.200 0.000 0.649 96 D CB -1.174 39.775 40.800 0.249 0.000 1.050 96 D HN 0.592 nan 8.370 nan 0.000 0.425 97 A N -0.806 122.101 122.820 0.146 0.000 2.861 97 A HA -0.399 3.921 4.320 0.000 0.000 0.261 97 A C 1.587 179.175 177.584 0.006 0.000 1.351 97 A CA 2.387 54.507 52.037 0.139 0.000 0.904 97 A CB -2.028 17.180 19.000 0.347 0.000 1.076 97 A HN 0.592 nan 8.150 nan 0.000 0.729 98 E N 0.206 120.219 120.200 -0.310 0.000 2.070 98 E HA -0.192 4.158 4.350 0.000 0.000 0.197 98 E C -0.192 175.791 176.600 -1.029 0.000 1.004 98 E CA 1.510 57.328 56.400 -0.970 0.000 0.805 98 E CB -0.433 28.522 29.700 -1.241 0.000 0.744 98 E HN 0.647 nan 8.360 nan 0.000 0.451 99 P HA -0.138 nan 4.420 nan 0.000 0.217 99 P C 0.295 177.214 177.300 -0.635 0.000 1.150 99 P CA 1.730 64.015 63.100 -1.359 0.000 0.832 99 P CB -0.057 30.556 31.700 -1.811 0.000 0.787 100 D N -0.327 119.839 120.400 -0.390 0.000 2.084 100 D HA -0.141 4.499 4.640 0.000 0.000 0.194 100 D C 1.821 177.933 176.300 -0.314 0.000 0.990 100 D CA 1.140 55.008 54.000 -0.220 0.000 0.826 100 D CB -0.940 39.778 40.800 -0.136 0.000 0.971 100 D HN 0.106 nan 8.370 nan 0.000 0.453 101 F N 0.878 120.736 119.950 -0.153 0.000 2.134 101 F HA -0.010 4.517 4.527 0.000 0.000 0.299 101 F C 2.400 178.177 175.800 -0.039 0.000 1.097 101 F CA 0.998 58.977 58.000 -0.036 0.000 1.264 101 F CB -0.164 38.853 39.000 0.028 0.000 1.001 101 F HN -0.187 nan 8.300 nan 0.000 0.479 102 R N -0.265 120.208 120.500 -0.046 0.000 2.092 102 R HA -0.069 4.272 4.340 0.000 0.000 0.231 102 R C 2.553 178.861 176.300 0.012 0.000 1.119 102 R CA 1.067 57.136 56.100 -0.051 0.000 0.970 102 R CB -1.045 29.139 30.300 -0.194 0.000 0.864 102 R HN 0.385 nan 8.270 nan 0.000 0.440 103 G N 0.729 109.503 108.800 -0.045 0.000 2.408 103 G HA2 -0.241 3.719 3.960 0.000 0.000 0.217 103 G HA3 -0.241 3.719 3.960 0.000 0.000 0.217 103 G C 1.419 176.360 174.900 0.067 0.000 1.150 103 G CA 0.403 45.514 45.100 0.018 0.000 0.776 103 G HN 0.151 nan 8.290 nan 0.000 0.542 104 M N 0.657 120.279 119.600 0.036 0.000 2.213 104 M HA -0.040 4.440 4.480 0.000 0.000 0.263 104 M C 2.329 178.811 176.300 0.304 0.000 1.062 104 M CA 0.819 56.174 55.300 0.091 0.000 1.105 104 M CB -0.250 32.219 32.600 -0.217 0.000 1.385 104 M HN 0.114 nan 8.290 nan 0.000 0.417 105 N N 0.729 119.649 118.700 0.366 0.000 2.104 105 N HA -0.153 4.587 4.740 0.000 0.000 0.190 105 N C 1.599 177.237 175.510 0.213 0.000 1.024 105 N CA 1.213 54.478 53.050 0.358 0.000 0.853 105 N CB -0.463 38.183 38.487 0.264 0.000 1.008 105 N HN 0.234 nan 8.380 nan 0.000 0.424 106 L N 0.926 122.241 121.223 0.153 0.000 2.093 106 L HA -0.012 4.328 4.340 0.000 0.000 0.208 106 L C 1.967 178.886 176.870 0.082 0.000 1.085 106 L CA 1.142 56.045 54.840 0.105 0.000 0.755 106 L CB -0.542 41.569 42.059 0.086 0.000 0.904 106 L HN -0.110 nan 8.230 nan 0.000 0.435 107 V N 0.484 120.455 119.914 0.096 0.000 2.490 107 V HA 0.029 4.149 4.120 0.000 0.000 0.250 107 V C 1.633 177.708 176.094 -0.033 0.000 1.061 107 V CA 1.296 63.618 62.300 0.037 0.000 1.064 107 V CB -1.308 30.567 31.823 0.086 0.000 0.670 107 V HN 0.757 nan 8.190 nan 0.000 0.461 108 G N -1.481 107.334 108.800 0.025 0.000 2.288 108 G HA2 -0.225 3.736 3.960 0.000 0.000 0.205 108 G HA3 -0.225 3.736 3.960 0.000 0.000 0.205 108 G C -0.298 174.524 174.900 -0.130 0.000 1.071 108 G CA -0.489 44.604 45.100 -0.012 0.000 0.788 108 G HN 0.351 nan 8.290 nan 0.000 0.491 109 Y N 0.695 120.844 120.300 -0.251 0.000 2.597 109 Y HA 0.203 4.753 4.550 0.000 0.000 0.336 109 Y C 1.625 177.359 175.900 -0.276 0.000 1.216 109 Y CA 0.736 58.564 58.100 -0.455 0.000 1.463 109 Y CB 0.649 38.459 38.460 -1.082 0.000 1.303 109 Y HN 0.231 nan 8.280 nan 0.000 0.576 110 D N 1.282 121.621 120.400 -0.102 0.000 2.301 110 D HA 0.288 4.928 4.640 0.000 0.000 0.206 110 D C 0.111 176.570 176.300 0.264 0.000 0.979 110 D CA 0.793 54.806 54.000 0.021 0.000 0.874 110 D CB 0.517 41.089 40.800 -0.380 0.000 0.968 110 D HN 0.505 nan 8.370 nan 0.000 0.510 111 A N 0.191 123.127 122.820 0.194 0.000 2.567 111 A HA 0.592 4.912 4.320 0.000 0.000 0.291 111 A C -1.687 176.061 177.584 0.273 0.000 1.048 111 A CA -0.657 51.602 52.037 0.369 0.000 0.661 111 A CB 1.604 20.854 19.000 0.417 0.000 1.288 111 A HN 0.028 nan 8.150 nan 0.000 0.424 112 M N 1.225 121.031 119.600 0.344 0.000 2.433 112 M HA 0.717 5.197 4.480 0.000 0.000 0.290 112 M C -0.754 175.670 176.300 0.208 0.000 1.173 112 M CA -0.566 54.885 55.300 0.252 0.000 0.905 112 M CB 1.949 34.737 32.600 0.314 0.000 1.692 112 M HN 1.652 nan 8.290 nan 0.000 0.462 113 A N 4.596 127.519 122.820 0.171 0.000 2.363 113 A HA 0.591 4.912 4.320 0.000 0.000 0.270 113 A C -0.408 177.237 177.584 0.100 0.000 1.121 113 A CA -0.580 51.546 52.037 0.148 0.000 0.800 113 A CB 0.144 19.252 19.000 0.180 0.000 1.052 113 A HN 0.882 nan 8.150 nan 0.000 0.493 114 I N 2.509 123.100 120.570 0.035 0.000 2.533 114 I HA 0.248 4.418 4.170 0.000 0.000 0.284 114 I C 1.243 177.371 176.117 0.018 0.000 1.109 114 I CA 0.295 61.570 61.300 -0.042 0.000 1.412 114 I CB 0.827 38.690 38.000 -0.229 0.000 1.396 114 I HN 0.735 nan 8.210 nan 0.000 0.543 115 G N 4.257 112.989 108.800 -0.113 0.000 2.502 115 G HA2 0.098 4.058 3.960 0.000 0.000 0.305 115 G HA3 0.098 4.058 3.960 0.000 0.000 0.305 115 G C 0.890 175.772 174.900 -0.031 0.000 1.190 115 G CA -0.623 44.217 45.100 -0.433 0.000 0.933 115 G HN 0.740 nan 8.290 nan 0.000 0.503 116 N N -0.608 118.110 118.700 0.030 0.000 2.309 116 N HA -0.165 4.576 4.740 0.000 0.000 0.182 116 N C 1.172 176.836 175.510 0.256 0.000 1.018 116 N CA 1.115 54.294 53.050 0.214 0.000 0.876 116 N CB -0.378 38.149 38.487 0.067 0.000 0.972 116 N HN 0.611 nan 8.380 nan 0.000 0.434 117 H N 0.210 119.425 119.070 0.241 0.000 2.559 117 H HA 0.079 4.636 4.556 0.000 0.000 0.273 117 H C 0.672 176.104 175.328 0.173 0.000 1.000 117 H CA 0.585 56.802 56.048 0.282 0.000 1.195 117 H CB 0.363 30.325 29.762 0.333 0.000 1.368 117 H HN 0.298 nan 8.280 nan 0.000 0.592 118 E N -0.130 120.137 120.200 0.111 0.000 2.516 118 E HA -0.032 4.318 4.350 0.000 0.000 0.199 118 E C 0.285 176.635 176.600 -0.417 0.000 1.069 118 E CA 0.256 56.569 56.400 -0.144 0.000 0.876 118 E CB -0.116 29.406 29.700 -0.296 0.000 0.843 118 E HN 0.328 nan 8.360 nan 0.000 0.530 119 F N -0.587 119.500 119.950 0.228 0.000 2.668 119 F HA 0.200 4.727 4.527 0.001 0.000 0.301 119 F C 0.974 176.954 175.800 0.301 0.000 1.106 119 F CA -0.304 57.854 58.000 0.264 0.000 1.289 119 F CB 0.624 39.941 39.000 0.529 0.000 1.006 119 F HN -0.121 nan 8.300 nan 0.000 0.535 120 D N 0.065 120.688 120.400 0.373 0.000 2.317 120 D HA -0.024 4.616 4.640 0.000 0.000 0.211 120 D C 0.201 176.741 176.300 0.400 0.000 0.966 120 D CA 0.879 55.150 54.000 0.451 0.000 0.876 120 D CB 0.000 41.100 40.800 0.501 0.000 0.927 120 D HN 0.290 nan 8.370 nan 0.000 0.519 121 N N -0.380 118.409 118.700 0.149 0.000 2.457 121 N HA 0.398 5.138 4.740 0.000 0.000 0.290 121 N C -2.653 172.584 175.510 -0.455 0.000 1.232 121 N CA -1.522 51.518 53.050 -0.017 0.000 0.852 121 N CB 1.669 40.158 38.487 0.004 0.000 1.313 121 N HN -0.250 nan 8.380 nan 0.000 0.522 122 P HA -0.017 nan 4.420 nan 0.000 0.269 122 P C 0.635 177.712 177.300 -0.373 0.000 1.217 122 P CA -0.352 62.373 63.100 -0.625 0.000 0.783 122 P CB 0.552 32.100 31.700 -0.253 0.000 0.898 123 L N 2.845 123.892 121.223 -0.293 0.000 2.129 123 L HA -0.199 4.141 4.340 0.000 0.000 0.212 123 L C 2.070 178.851 176.870 -0.149 0.000 1.087 123 L CA 2.693 57.449 54.840 -0.140 0.000 0.757 123 L CB -1.732 40.296 42.059 -0.052 0.000 0.896 123 L HN 0.517 nan 8.230 nan 0.000 0.434 124 T N -4.676 109.785 114.554 -0.155 0.000 2.803 124 T HA -0.171 4.179 4.350 0.000 0.000 0.269 124 T C 1.841 176.419 174.700 -0.202 0.000 1.052 124 T CA 1.494 63.499 62.100 -0.158 0.000 1.136 124 T CB -1.087 67.703 68.868 -0.130 0.000 0.864 124 T HN 0.174 nan 8.240 nan 0.000 0.467 125 V N 1.238 121.034 119.914 -0.197 0.000 2.427 125 V HA -0.015 4.105 4.120 0.000 0.000 0.248 125 V C 2.532 178.459 176.094 -0.277 0.000 1.051 125 V CA 1.379 63.548 62.300 -0.217 0.000 1.048 125 V CB -0.772 30.971 31.823 -0.133 0.000 0.666 125 V HN 0.397 nan 8.190 nan 0.000 0.456 126 L N 0.094 121.171 121.223 -0.242 0.000 2.093 126 L HA -0.044 4.296 4.340 0.000 0.000 0.208 126 L C 2.538 179.252 176.870 -0.260 0.000 1.085 126 L CA 1.781 56.466 54.840 -0.259 0.000 0.755 126 L CB -0.718 41.201 42.059 -0.234 0.000 0.904 126 L HN 0.123 nan 8.230 nan 0.000 0.435 127 R N -0.417 119.950 120.500 -0.222 0.000 2.092 127 R HA -0.147 4.193 4.340 0.000 0.000 0.231 127 R C 2.183 178.270 176.300 -0.354 0.000 1.119 127 R CA 1.339 57.303 56.100 -0.227 0.000 0.970 127 R CB -0.857 29.327 30.300 -0.192 0.000 0.864 127 R HN 0.500 nan 8.270 nan 0.000 0.440 128 Q N 1.236 120.755 119.800 -0.468 0.000 2.119 128 Q HA -0.114 4.226 4.340 0.000 0.000 0.201 128 Q C 1.815 177.224 176.000 -0.985 0.000 0.972 128 Q CA 1.626 56.977 55.803 -0.753 0.000 0.847 128 Q CB -0.033 28.182 28.738 -0.872 0.000 0.903 128 Q HN 0.404 nan 8.270 nan 0.000 0.433 129 Q N -0.215 119.118 119.800 -0.779 0.000 2.167 129 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 129 Q C 1.885 177.488 176.000 -0.662 0.000 0.970 129 Q CA 1.351 56.683 55.803 -0.784 0.000 0.855 129 Q CB 0.021 28.148 28.738 -1.019 0.000 0.911 129 Q HN 0.540 nan 8.270 nan 0.000 0.438 130 E N 0.756 120.668 120.200 -0.480 0.000 2.150 130 E HA -0.151 4.199 4.350 0.000 0.000 0.193 130 E C 1.716 178.149 176.600 -0.278 0.000 0.985 130 E CA 0.772 56.975 56.400 -0.329 0.000 0.814 130 E CB 0.143 29.727 29.700 -0.194 0.000 0.752 130 E HN 0.269 nan 8.360 nan 0.000 0.466 131 K N -0.080 120.128 120.400 -0.321 0.000 2.103 131 K HA -0.111 4.210 4.320 0.000 0.000 0.204 131 K C 1.904 178.440 176.600 -0.107 0.000 1.052 131 K CA 0.931 57.075 56.287 -0.238 0.000 0.945 131 K CB -0.026 32.285 32.500 -0.315 0.000 0.722 131 K HN 0.165 nan 8.250 nan 0.000 0.443 132 W N 1.449 122.622 121.300 -0.212 0.000 2.379 132 W HA 0.077 4.737 4.660 0.001 0.000 0.307 132 W C 1.012 177.428 176.519 -0.172 0.000 1.200 132 W CA 0.073 57.321 57.345 -0.162 0.000 1.297 132 W CB -0.863 28.497 29.460 -0.167 0.000 1.140 132 W HN -0.063 nan 8.180 nan 0.000 0.507 133 A N 1.375 124.145 122.820 -0.082 0.000 2.492 133 A HA 0.066 4.387 4.320 0.000 0.000 0.254 133 A C 1.119 178.513 177.584 -0.317 0.000 1.091 133 A CA 0.104 51.902 52.037 -0.399 0.000 0.768 133 A CB 0.135 18.596 19.000 -0.898 0.000 1.028 133 A HN 0.303 nan 8.150 nan 0.000 0.498 134 K N 1.388 121.701 120.400 -0.144 0.000 2.444 134 K HA 0.135 4.455 4.320 0.000 0.000 0.193 134 K C -0.601 176.089 176.600 0.150 0.000 1.024 134 K CA 0.299 56.618 56.287 0.053 0.000 1.077 134 K CB -0.076 32.525 32.500 0.170 0.000 0.833 134 K HN 0.760 nan 8.250 nan 0.000 0.517 135 F N 0.482 120.528 119.950 0.159 0.000 2.538 135 F HA 0.551 5.078 4.527 0.000 0.000 0.325 135 F C -2.695 173.201 175.800 0.160 0.000 1.066 135 F CA -3.843 54.267 58.000 0.184 0.000 0.946 135 F CB 0.269 39.403 39.000 0.224 0.000 1.199 135 F HN -0.238 nan 8.300 nan 0.000 0.473 136 P HA 0.201 nan 4.420 nan 0.000 0.275 136 P C -1.095 176.352 177.300 0.245 0.000 1.227 136 P CA -0.236 62.975 63.100 0.186 0.000 0.781 136 P CB 1.740 33.539 31.700 0.166 0.000 0.906 137 L N 3.713 125.010 121.223 0.123 0.000 2.264 137 L HA 0.323 4.663 4.340 0.000 0.000 0.287 137 L C 0.297 177.209 176.870 0.071 0.000 1.039 137 L CA 0.071 54.974 54.840 0.105 0.000 0.829 137 L CB 0.193 42.250 42.059 -0.004 0.000 1.211 137 L HN 0.253 nan 8.230 nan 0.000 0.427 138 L N 2.308 123.593 121.223 0.102 0.000 2.322 138 L HA 0.755 5.095 4.340 0.000 0.000 0.279 138 L C 0.261 177.166 176.870 0.059 0.000 1.036 138 L CA -0.404 54.498 54.840 0.103 0.000 0.807 138 L CB 1.737 43.896 42.059 0.167 0.000 1.226 138 L HN 0.571 nan 8.230 nan 0.000 0.433 139 S N 0.560 116.309 115.700 0.081 0.000 2.550 139 S HA 0.457 4.928 4.470 0.000 0.000 0.274 139 S C 0.147 174.813 174.600 0.109 0.000 1.110 139 S CA -0.011 58.244 58.200 0.090 0.000 1.013 139 S CB 1.414 64.629 63.200 0.025 0.000 1.152 139 S HN 0.718 nan 8.310 nan 0.000 0.450 140 A N 3.558 126.449 122.820 0.118 0.000 2.123 140 A HA 0.107 4.427 4.320 0.000 0.000 0.214 140 A C 1.493 179.121 177.584 0.074 0.000 1.152 140 A CA 0.959 53.052 52.037 0.094 0.000 0.728 140 A CB -0.281 18.833 19.000 0.188 0.000 0.814 140 A HN 0.879 nan 8.150 nan 0.000 0.464 141 N N -0.045 118.731 118.700 0.127 0.000 2.235 141 N HA 0.153 4.894 4.740 0.000 0.000 0.209 141 N C -0.272 175.336 175.510 0.165 0.000 1.122 141 N CA -0.085 53.097 53.050 0.220 0.000 0.845 141 N CB 0.077 38.697 38.487 0.222 0.000 1.004 141 N HN 0.399 nan 8.380 nan 0.000 0.499 142 I N 1.395 121.936 120.570 -0.048 0.000 2.321 142 I HA 0.293 4.463 4.170 0.000 0.000 0.291 142 I C -0.882 175.076 176.117 -0.264 0.000 0.998 142 I CA -0.748 60.429 61.300 -0.206 0.000 1.227 142 I CB 0.511 38.445 38.000 -0.109 0.000 1.368 142 I HN -0.128 nan 8.210 nan 0.000 0.466 143 Y N 3.551 123.744 120.300 -0.179 0.000 2.536 143 Y HA 0.342 4.892 4.550 0.001 0.000 0.347 143 Y C 0.089 175.919 175.900 -0.117 0.000 1.000 143 Y CA -0.839 57.192 58.100 -0.116 0.000 1.051 143 Y CB 1.637 40.051 38.460 -0.077 0.000 1.259 143 Y HN 0.446 nan 8.280 nan 0.000 0.468 144 Q N 2.728 122.563 119.800 0.057 0.000 2.307 144 Q HA 0.165 4.505 4.340 0.000 0.000 0.259 144 Q C 0.452 176.483 176.000 0.051 0.000 0.998 144 Q CA -0.124 55.690 55.803 0.018 0.000 0.923 144 Q CB 0.801 29.525 28.738 -0.024 0.000 1.196 144 Q HN 0.733 nan 8.270 nan 0.000 0.416 145 K N 1.142 121.566 120.400 0.040 0.000 2.063 145 K HA -0.186 4.134 4.320 0.000 0.000 0.208 145 K C 1.947 178.557 176.600 0.016 0.000 1.048 145 K CA 1.851 58.155 56.287 0.029 0.000 0.928 145 K CB -0.002 32.516 32.500 0.031 0.000 0.713 145 K HN 0.705 nan 8.250 nan 0.000 0.442 146 S N 0.074 115.781 115.700 0.013 0.000 2.447 146 S HA -0.115 4.355 4.470 0.000 0.000 0.233 146 S C 1.929 176.530 174.600 0.001 0.000 1.006 146 S CA 1.552 59.754 58.200 0.004 0.000 0.957 146 S CB -0.368 62.833 63.200 0.001 0.000 0.773 146 S HN 0.447 nan 8.310 nan 0.000 0.507 147 T N -4.280 110.278 114.554 0.006 0.000 2.987 147 T HA 0.555 4.905 4.350 0.000 0.000 0.248 147 T C 1.609 176.322 174.700 0.022 0.000 0.997 147 T CA 0.643 62.746 62.100 0.005 0.000 1.013 147 T CB -0.027 68.838 68.868 -0.006 0.000 1.077 147 T HN 1.215 nan 8.240 nan 0.000 0.483 148 G N 2.558 111.388 108.800 0.051 0.000 2.141 148 G HA2 -0.215 3.745 3.960 0.000 0.000 0.242 148 G HA3 -0.215 3.745 3.960 0.000 0.000 0.242 148 G C -0.190 174.833 174.900 0.205 0.000 0.982 148 G CA 0.156 45.312 45.100 0.094 0.000 0.662 148 G HN 1.022 nan 8.290 nan 0.000 0.527 149 E N 0.613 120.881 120.200 0.114 0.000 2.313 149 E HA 0.565 4.915 4.350 0.000 0.000 0.272 149 E C 0.157 176.722 176.600 -0.058 0.000 1.038 149 E CA -0.989 55.441 56.400 0.049 0.000 0.863 149 E CB 1.331 31.009 29.700 -0.037 0.000 1.060 149 E HN 0.286 nan 8.360 nan 0.000 0.402 150 R N 1.969 122.325 120.500 -0.240 0.000 2.537 150 R HA 0.067 4.407 4.340 0.000 0.000 0.280 150 R C 0.982 177.049 176.300 -0.389 0.000 1.058 150 R CA 0.027 55.802 56.100 -0.542 0.000 1.057 150 R CB 0.548 30.569 30.300 -0.465 0.000 0.973 150 R HN 0.654 nan 8.270 nan 0.000 0.438 151 L N 2.551 123.506 121.223 -0.447 0.000 2.418 151 L HA 0.097 4.438 4.340 0.000 0.000 0.218 151 L C -0.021 176.228 176.870 -1.034 0.000 1.125 151 L CA 0.846 55.270 54.840 -0.693 0.000 0.835 151 L CB 0.134 41.716 42.059 -0.795 0.000 0.953 151 L HN 0.438 nan 8.230 nan 0.000 0.454 152 F N -1.545 118.307 119.950 -0.164 0.000 2.675 152 F HA 0.367 4.894 4.527 0.000 0.000 0.324 152 F C 0.197 175.900 175.800 -0.162 0.000 1.106 152 F CA -1.263 56.661 58.000 -0.126 0.000 0.970 152 F CB 0.838 39.801 39.000 -0.062 0.000 1.385 152 F HN -0.395 nan 8.300 nan 0.000 0.489 153 K N 2.820 123.266 120.400 0.077 0.000 2.412 153 K HA 0.132 4.452 4.320 0.000 0.000 0.281 153 K C -1.823 174.741 176.600 -0.061 0.000 1.027 153 K CA -1.201 55.039 56.287 -0.079 0.000 0.989 153 K CB 0.747 33.207 32.500 -0.067 0.000 0.935 153 K HN 0.236 nan 8.250 nan 0.000 0.475 154 P HA -0.068 nan 4.420 nan 0.000 0.221 154 P C -0.672 176.729 177.300 0.170 0.000 1.155 154 P CA 1.012 64.088 63.100 -0.040 0.000 0.812 154 P CB 0.132 31.763 31.700 -0.114 0.000 0.801 155 W N -1.113 120.216 121.300 0.049 0.000 3.005 155 W HA 0.735 5.396 4.660 0.000 0.000 0.343 155 W C -2.150 174.381 176.519 0.019 0.000 1.243 155 W CA -1.512 55.864 57.345 0.052 0.000 1.186 155 W CB 0.402 29.886 29.460 0.040 0.000 1.453 155 W HN -0.045 nan 8.180 nan 0.000 0.575 156 A N 1.878 124.919 122.820 0.368 0.000 2.380 156 A HA 0.912 5.233 4.320 0.000 0.000 0.315 156 A C -1.801 175.775 177.584 -0.013 0.000 1.101 156 A CA -1.074 51.011 52.037 0.080 0.000 0.771 156 A CB 1.405 20.402 19.000 -0.005 0.000 1.287 156 A HN 0.797 nan 8.150 nan 0.000 0.436 157 L N 1.051 122.087 121.223 -0.312 0.000 2.362 157 L HA 0.640 4.981 4.340 0.000 0.000 0.275 157 L C -1.481 175.014 176.870 -0.625 0.000 0.998 157 L CA -0.252 54.430 54.840 -0.264 0.000 0.820 157 L CB 1.659 43.687 42.059 -0.052 0.000 1.270 157 L HN 0.686 nan 8.230 nan 0.000 0.415 158 F N 1.509 121.483 119.950 0.040 0.000 2.546 158 F HA 0.513 5.040 4.527 0.000 0.000 0.320 158 F C 0.090 175.886 175.800 -0.007 0.000 1.076 158 F CA -0.790 57.224 58.000 0.023 0.000 0.928 158 F CB 2.028 41.038 39.000 0.018 0.000 1.189 158 F HN 0.230 nan 8.300 nan 0.000 0.465 159 K N 2.648 123.144 120.400 0.160 0.000 2.274 159 K HA 0.570 4.891 4.320 0.000 0.000 0.262 159 K C -0.872 175.781 176.600 0.089 0.000 0.961 159 K CA -0.880 55.454 56.287 0.080 0.000 0.833 159 K CB 1.026 33.557 32.500 0.051 0.000 1.102 159 K HN 0.506 nan 8.250 nan 0.000 0.436 160 R N 3.679 124.204 120.500 0.042 0.000 2.502 160 R HA 0.196 4.536 4.340 0.000 0.000 0.298 160 R C -0.187 176.136 176.300 0.039 0.000 1.018 160 R CA -0.382 55.742 56.100 0.040 0.000 0.899 160 R CB 1.522 31.831 30.300 0.015 0.000 1.181 160 R HN 0.945 nan 8.270 nan 0.000 0.444 161 Q N 0.564 120.414 119.800 0.082 0.000 1.555 161 Q HA -0.277 4.063 4.340 0.000 0.000 0.344 161 Q C -0.024 176.037 176.000 0.101 0.000 0.887 161 Q CA 2.050 57.935 55.803 0.137 0.000 0.829 161 Q CB -0.802 28.097 28.738 0.269 0.000 3.625 161 Q HN 0.761 nan 8.270 nan 0.000 0.622 162 D N 0.573 121.046 120.400 0.121 0.000 2.462 162 D HA 0.265 4.905 4.640 0.000 0.000 0.221 162 D C 0.115 176.386 176.300 -0.048 0.000 1.173 162 D CA 0.059 54.095 54.000 0.060 0.000 0.831 162 D CB -0.083 40.790 40.800 0.121 0.000 1.001 162 D HN 0.226 nan 8.370 nan 0.000 0.499 163 L N 0.309 121.433 121.223 -0.166 0.000 2.395 163 L HA 0.332 4.672 4.340 0.000 0.000 0.269 163 L C 0.560 177.332 176.870 -0.164 0.000 1.133 163 L CA -0.610 54.054 54.840 -0.294 0.000 0.812 163 L CB 1.218 42.959 42.059 -0.529 0.000 1.125 163 L HN -0.137 nan 8.230 nan 0.000 0.452 164 K N 3.564 123.867 120.400 -0.161 0.000 2.339 164 K HA 0.553 4.873 4.320 0.000 0.000 0.264 164 K C -1.183 175.355 176.600 -0.103 0.000 0.986 164 K CA -0.433 55.801 56.287 -0.088 0.000 0.866 164 K CB 0.917 33.378 32.500 -0.064 0.000 1.103 164 K HN 0.486 nan 8.250 nan 0.000 0.441 165 I N 3.547 124.101 120.570 -0.026 0.000 2.378 165 I HA 0.369 4.540 4.170 0.000 0.000 0.291 165 I C -0.244 175.932 176.117 0.099 0.000 0.992 165 I CA -0.895 60.407 61.300 0.003 0.000 1.154 165 I CB 1.914 39.933 38.000 0.033 0.000 1.315 165 I HN 0.622 nan 8.210 nan 0.000 0.448 166 A N 6.420 129.255 122.820 0.025 0.000 2.317 166 A HA 0.785 5.105 4.320 0.000 0.000 0.327 166 A C -0.653 176.999 177.584 0.114 0.000 1.178 166 A CA -0.489 51.566 52.037 0.030 0.000 0.817 166 A CB 1.260 20.159 19.000 -0.168 0.000 1.189 166 A HN 0.466 nan 8.150 nan 0.000 0.489 167 V N 4.365 124.425 119.914 0.243 0.000 2.407 167 V HA 0.317 4.437 4.120 0.000 0.000 0.291 167 V C -0.219 176.039 176.094 0.274 0.000 1.018 167 V CA -0.120 62.332 62.300 0.254 0.000 0.842 167 V CB 0.990 33.030 31.823 0.362 0.000 0.996 167 V HN 0.772 nan 8.190 nan 0.000 0.426 168 I N 3.481 124.176 120.570 0.207 0.000 2.499 168 I HA 0.652 4.822 4.170 0.000 0.000 0.296 168 I C 0.955 177.200 176.117 0.213 0.000 0.992 168 I CA -0.048 61.402 61.300 0.251 0.000 1.297 168 I CB 1.519 39.629 38.000 0.183 0.000 1.410 168 I HN 0.683 nan 8.210 nan 0.000 0.507 169 G N 5.862 114.791 108.800 0.216 0.000 2.416 169 G HA2 0.781 4.741 3.960 0.000 0.000 0.329 169 G HA3 0.781 4.741 3.960 0.000 0.000 0.329 169 G C -1.115 173.882 174.900 0.162 0.000 1.173 169 G CA -0.458 44.748 45.100 0.177 0.000 0.929 169 G HN 0.433 nan 8.290 nan 0.000 0.475 170 L N 0.685 122.002 121.223 0.156 0.000 2.445 170 L HA 0.568 4.909 4.340 0.000 0.000 0.262 170 L C -0.439 176.535 176.870 0.173 0.000 0.974 170 L CA -0.790 54.144 54.840 0.157 0.000 0.822 170 L CB 2.980 45.121 42.059 0.138 0.000 1.339 170 L HN 0.459 nan 8.230 nan 0.000 0.409 171 T N -0.235 114.438 114.554 0.199 0.000 2.824 171 T HA 0.239 4.590 4.350 0.000 0.000 0.282 171 T C -0.151 174.655 174.700 0.177 0.000 0.993 171 T CA -0.435 61.803 62.100 0.230 0.000 0.967 171 T CB 1.845 70.916 68.868 0.338 0.000 0.960 171 T HN 0.603 nan 8.240 nan 0.000 0.441 172 T N 2.205 116.791 114.554 0.053 0.000 2.933 172 T HA -0.030 4.320 4.350 0.000 0.000 0.306 172 T C 1.029 175.677 174.700 -0.086 0.000 1.045 172 T CA -0.163 61.906 62.100 -0.052 0.000 1.143 172 T CB 0.031 68.761 68.868 -0.231 0.000 1.003 172 T HN 0.666 nan 8.240 nan 0.000 0.540 173 D N 2.850 123.227 120.400 -0.039 0.000 2.352 173 D HA 0.011 4.651 4.640 0.000 0.000 0.232 173 D C 0.823 177.001 176.300 -0.202 0.000 1.055 173 D CA 0.062 54.029 54.000 -0.056 0.000 0.891 173 D CB 0.050 40.879 40.800 0.048 0.000 0.897 173 D HN 0.503 nan 8.370 nan 0.000 0.529 174 D N 0.153 120.420 120.400 -0.221 0.000 2.348 174 D HA -0.033 4.607 4.640 0.000 0.000 0.211 174 D C 1.548 177.626 176.300 -0.369 0.000 0.998 174 D CA 0.462 54.341 54.000 -0.202 0.000 0.873 174 D CB 0.145 40.907 40.800 -0.063 0.000 0.925 174 D HN 0.109 nan 8.370 nan 0.000 0.524 175 T N 0.441 114.608 114.554 -0.644 0.000 2.624 175 T HA -0.246 4.104 4.350 0.000 0.000 0.268 175 T C 1.932 176.004 174.700 -1.047 0.000 1.041 175 T CA 1.916 63.475 62.100 -0.901 0.000 1.159 175 T CB -0.191 67.745 68.868 -1.554 0.000 0.863 175 T HN 0.228 nan 8.240 nan 0.000 0.434 176 A N 0.914 122.941 122.820 -1.322 0.000 1.970 176 A HA 0.031 4.351 4.320 0.000 0.000 0.216 176 A C 2.188 179.479 177.584 -0.488 0.000 1.170 176 A CA 1.652 52.925 52.037 -1.274 0.000 0.645 176 A CB -0.456 18.051 19.000 -0.822 0.000 0.816 176 A HN 0.511 nan 8.150 nan 0.000 0.447 177 K N 0.488 120.686 120.400 -0.336 0.000 2.097 177 K HA -0.087 4.233 4.320 0.000 0.000 0.206 177 K C 1.531 178.087 176.600 -0.073 0.000 1.049 177 K CA 1.791 57.987 56.287 -0.152 0.000 0.933 177 K CB -0.291 32.137 32.500 -0.119 0.000 0.717 177 K HN 0.682 nan 8.250 nan 0.000 0.442 178 I N -3.201 117.321 120.570 -0.079 0.000 4.018 178 I HA 0.334 4.504 4.170 0.000 0.000 0.337 178 I C 0.708 176.902 176.117 0.127 0.000 1.327 178 I CA -0.607 60.717 61.300 0.040 0.000 1.100 178 I CB 0.573 38.590 38.000 0.029 0.000 1.025 178 I HN -0.034 nan 8.210 nan 0.000 0.396 179 G N 1.196 110.066 108.800 0.116 0.000 2.642 179 G HA2 0.183 4.144 3.960 0.000 0.000 0.291 179 G HA3 0.183 4.144 3.960 0.000 0.000 0.291 179 G C -0.906 174.331 174.900 0.560 0.000 1.345 179 G CA -0.720 44.586 45.100 0.345 0.000 1.043 179 G HN 0.204 nan 8.290 nan 0.000 0.528 180 N N 0.617 119.639 118.700 0.536 0.000 2.427 180 N HA 0.198 4.938 4.740 0.000 0.000 0.269 180 N C -1.357 174.199 175.510 0.076 0.000 1.235 180 N CA -1.599 51.573 53.050 0.204 0.000 0.934 180 N CB 1.380 39.728 38.487 -0.231 0.000 1.121 180 N HN -0.046 nan 8.380 nan 0.000 0.480 181 P HA -0.244 nan 4.420 nan 0.000 0.217 181 P C 0.668 177.972 177.300 0.006 0.000 1.158 181 P CA 1.662 64.796 63.100 0.056 0.000 0.887 181 P CB 0.063 31.713 31.700 -0.083 0.000 0.792 182 E N -1.820 118.294 120.200 -0.143 0.000 2.209 182 E HA -0.226 4.124 4.350 0.000 0.000 0.196 182 E C 1.238 177.808 176.600 -0.050 0.000 0.993 182 E CA 1.135 57.468 56.400 -0.113 0.000 0.819 182 E CB -1.052 28.557 29.700 -0.151 0.000 0.745 182 E HN 0.318 nan 8.360 nan 0.000 0.477 183 Y N -0.419 119.709 120.300 -0.287 0.000 2.561 183 Y HA 0.069 4.619 4.550 0.000 0.000 0.291 183 Y C 0.838 176.331 175.900 -0.678 0.000 1.141 183 Y CA -0.095 57.685 58.100 -0.533 0.000 1.303 183 Y CB -0.118 37.872 38.460 -0.783 0.000 1.015 183 Y HN 0.043 nan 8.280 nan 0.000 0.547 184 F N -1.261 118.823 119.950 0.222 0.000 2.735 184 F HA 0.184 4.712 4.527 0.000 0.000 0.304 184 F C 1.907 177.763 175.800 0.094 0.000 1.119 184 F CA -0.126 57.966 58.000 0.154 0.000 1.280 184 F CB -0.864 38.228 39.000 0.155 0.000 0.994 184 F HN -0.098 nan 8.300 nan 0.000 0.520 185 T N -3.181 111.467 114.554 0.157 0.000 2.849 185 T HA -0.214 4.136 4.350 0.000 0.000 0.270 185 T C 1.132 175.888 174.700 0.093 0.000 1.066 185 T CA 1.947 64.110 62.100 0.105 0.000 1.130 185 T CB -0.109 68.794 68.868 0.058 0.000 0.864 185 T HN 0.148 nan 8.240 nan 0.000 0.481 186 D N -0.096 120.361 120.400 0.095 0.000 2.673 186 D HA 0.376 5.016 4.640 0.000 0.000 0.278 186 D C -0.734 175.610 176.300 0.075 0.000 1.393 186 D CA -0.512 53.528 54.000 0.067 0.000 0.805 186 D CB -0.029 40.792 40.800 0.036 0.000 1.110 186 D HN 0.484 nan 8.370 nan 0.000 0.476 187 I N 1.469 122.118 120.570 0.131 0.000 2.533 187 I HA 0.335 4.505 4.170 0.000 0.000 0.290 187 I C -0.481 175.692 176.117 0.092 0.000 1.056 187 I CA -0.853 60.506 61.300 0.099 0.000 1.057 187 I CB 2.188 40.295 38.000 0.178 0.000 1.240 187 I HN -0.018 nan 8.210 nan 0.000 0.423 188 E N 5.263 125.443 120.200 -0.033 0.000 2.312 188 E HA 0.562 4.912 4.350 0.000 0.000 0.267 188 E C -1.730 174.760 176.600 -0.183 0.000 0.894 188 E CA -0.735 55.668 56.400 0.005 0.000 0.773 188 E CB 2.254 31.980 29.700 0.043 0.000 1.241 188 E HN 0.276 nan 8.360 nan 0.000 0.432 189 F N 1.658 121.603 119.950 -0.007 0.000 2.325 189 F HA 0.398 4.925 4.527 0.000 0.000 0.369 189 F C 0.588 176.403 175.800 0.027 0.000 1.095 189 F CA -0.765 57.239 58.000 0.006 0.000 1.082 189 F CB 1.204 40.147 39.000 -0.094 0.000 1.289 189 F HN 0.213 nan 8.300 nan 0.000 0.462 190 R N 1.838 122.439 120.500 0.168 0.000 2.679 190 R HA 0.256 4.596 4.340 0.000 0.000 0.269 190 R C 0.071 176.441 176.300 0.116 0.000 1.076 190 R CA -0.846 55.316 56.100 0.104 0.000 1.160 190 R CB 0.701 31.035 30.300 0.057 0.000 1.054 190 R HN 0.481 nan 8.270 nan 0.000 0.507 191 K N 2.756 123.197 120.400 0.067 0.000 2.430 191 K HA -0.028 4.292 4.320 0.000 0.000 0.280 191 K C -1.728 174.918 176.600 0.077 0.000 1.063 191 K CA -0.852 55.469 56.287 0.056 0.000 1.071 191 K CB 0.249 32.764 32.500 0.026 0.000 0.899 191 K HN 0.326 nan 8.250 nan 0.000 0.473 192 P HA -0.265 nan 4.420 nan 0.000 0.215 192 P C 1.079 178.427 177.300 0.080 0.000 1.157 192 P CA 1.424 64.583 63.100 0.098 0.000 0.874 192 P CB 0.148 31.903 31.700 0.091 0.000 0.790 193 A N -0.106 122.748 122.820 0.055 0.000 1.933 193 A HA -0.223 4.098 4.320 0.000 0.000 0.218 193 A C 1.980 179.592 177.584 0.047 0.000 1.175 193 A CA 2.142 54.207 52.037 0.045 0.000 0.628 193 A CB -1.393 17.624 19.000 0.029 0.000 0.814 193 A HN 0.111 nan 8.150 nan 0.000 0.444 194 D N -0.808 119.619 120.400 0.045 0.000 2.144 194 D HA -0.100 4.540 4.640 0.000 0.000 0.200 194 D C 1.889 178.227 176.300 0.063 0.000 0.978 194 D CA 1.521 55.546 54.000 0.042 0.000 0.833 194 D CB -0.292 40.526 40.800 0.030 0.000 0.961 194 D HN 0.577 nan 8.370 nan 0.000 0.470 195 E N 0.994 121.248 120.200 0.088 0.000 2.072 195 E HA -0.073 4.278 4.350 0.000 0.000 0.191 195 E C 1.933 178.606 176.600 0.121 0.000 0.985 195 E CA 1.213 57.689 56.400 0.127 0.000 0.801 195 E CB -0.221 29.583 29.700 0.172 0.000 0.750 195 E HN 0.152 nan 8.360 nan 0.000 0.452 196 A N 0.816 123.697 122.820 0.100 0.000 1.908 196 A HA -0.244 4.076 4.320 0.000 0.000 0.218 196 A C 2.042 179.662 177.584 0.061 0.000 1.181 196 A CA 1.889 53.977 52.037 0.086 0.000 0.627 196 A CB -0.468 18.574 19.000 0.069 0.000 0.818 196 A HN 0.194 nan 8.150 nan 0.000 0.445 197 K N -0.407 120.023 120.400 0.050 0.000 2.009 197 K HA -0.121 4.200 4.320 0.000 0.000 0.210 197 K C 1.864 178.486 176.600 0.037 0.000 1.049 197 K CA 1.698 58.005 56.287 0.034 0.000 0.929 197 K CB -0.461 32.056 32.500 0.029 0.000 0.714 197 K HN 0.505 nan 8.250 nan 0.000 0.440 198 L N 0.410 121.668 121.223 0.058 0.000 2.083 198 L HA -0.170 4.171 4.340 0.000 0.000 0.209 198 L C 2.359 179.278 176.870 0.081 0.000 1.083 198 L CA 0.770 55.651 54.840 0.068 0.000 0.752 198 L CB -0.472 41.639 42.059 0.087 0.000 0.899 198 L HN -0.003 nan 8.230 nan 0.000 0.433 199 V N 0.069 120.046 119.914 0.105 0.000 2.379 199 V HA -0.230 3.890 4.120 0.000 0.000 0.245 199 V C 2.312 178.374 176.094 -0.054 0.000 1.044 199 V CA 1.602 63.967 62.300 0.109 0.000 1.036 199 V CB -0.156 31.794 31.823 0.212 0.000 0.664 199 V HN 0.293 nan 8.190 nan 0.000 0.453 200 I N -0.554 119.993 120.570 -0.039 0.000 2.226 200 I HA -0.288 3.883 4.170 0.000 0.000 0.245 200 I C 2.637 178.705 176.117 -0.082 0.000 1.100 200 I CA 1.513 62.762 61.300 -0.084 0.000 1.374 200 I CB -0.344 37.631 38.000 -0.042 0.000 1.057 200 I HN 0.350 nan 8.210 nan 0.000 0.413 201 Q N 0.388 120.166 119.800 -0.036 0.000 2.061 201 Q HA -0.298 4.042 4.340 0.000 0.000 0.204 201 Q C 2.143 178.121 176.000 -0.037 0.000 0.984 201 Q CA 1.977 57.766 55.803 -0.024 0.000 0.846 201 Q CB -0.002 28.738 28.738 0.002 0.000 0.902 201 Q HN 0.308 nan 8.270 nan 0.000 0.421 202 E N 0.429 120.609 120.200 -0.033 0.000 2.077 202 E HA -0.145 4.206 4.350 0.000 0.000 0.193 202 E C 1.857 178.382 176.600 -0.124 0.000 0.989 202 E CA 1.052 57.436 56.400 -0.026 0.000 0.800 202 E CB -0.290 29.450 29.700 0.067 0.000 0.746 202 E HN 0.344 nan 8.360 nan 0.000 0.452 203 L N 0.124 121.180 121.223 -0.277 0.000 2.017 203 L HA -0.198 4.143 4.340 0.000 0.000 0.208 203 L C 2.688 179.445 176.870 -0.189 0.000 1.073 203 L CA 1.501 56.120 54.840 -0.368 0.000 0.745 203 L CB -0.407 41.344 42.059 -0.513 0.000 0.894 203 L HN 0.208 nan 8.230 nan 0.000 0.432 204 Q N -0.258 119.462 119.800 -0.133 0.000 2.181 204 Q HA -0.269 4.071 4.340 0.000 0.000 0.205 204 Q C 2.056 178.025 176.000 -0.050 0.000 0.980 204 Q CA 1.867 57.624 55.803 -0.076 0.000 0.862 204 Q CB -0.056 28.651 28.738 -0.052 0.000 0.905 204 Q HN 0.664 nan 8.270 nan 0.000 0.429 205 Q N -0.832 118.942 119.800 -0.043 0.000 2.384 205 Q HA 0.030 4.370 4.340 0.000 0.000 0.207 205 Q C 1.450 177.441 176.000 -0.015 0.000 0.904 205 Q CA 1.233 57.024 55.803 -0.021 0.000 0.933 205 Q CB 0.417 29.149 28.738 -0.008 0.000 1.077 205 Q HN 0.267 nan 8.270 nan 0.000 0.522 206 T N -1.826 112.713 114.554 -0.024 0.000 3.311 206 T HA 0.122 4.472 4.350 0.000 0.000 0.239 206 T C 1.647 176.340 174.700 -0.011 0.000 0.976 206 T CA 0.112 62.211 62.100 -0.002 0.000 1.283 206 T CB -0.111 68.777 68.868 0.033 0.000 1.113 206 T HN -0.031 nan 8.240 nan 0.000 0.392 207 E N 1.640 121.819 120.200 -0.035 0.000 2.208 207 E HA 0.059 4.409 4.350 0.000 0.000 0.193 207 E C 0.220 176.788 176.600 -0.054 0.000 0.988 207 E CA 0.398 56.775 56.400 -0.037 0.000 0.828 207 E CB -0.277 29.388 29.700 -0.059 0.000 0.763 207 E HN 0.645 nan 8.360 nan 0.000 0.478 208 K N 0.932 121.289 120.400 -0.071 0.000 3.257 208 K HA -0.145 4.176 4.320 0.000 0.000 0.270 208 K C -2.358 174.210 176.600 -0.053 0.000 0.984 208 K CA 0.282 56.537 56.287 -0.053 0.000 0.739 208 K CB -1.258 31.226 32.500 -0.027 0.000 1.351 208 K HN 0.244 nan 8.250 nan 0.000 0.463 209 P HA -0.010 nan 4.420 nan 0.000 0.272 209 P C 0.054 177.315 177.300 -0.064 0.000 1.230 209 P CA -0.014 63.033 63.100 -0.087 0.000 0.788 209 P CB 0.644 32.272 31.700 -0.122 0.000 0.949 210 D N 0.548 120.888 120.400 -0.100 0.000 2.194 210 D HA 0.081 4.721 4.640 0.000 0.000 0.204 210 D C 0.760 176.985 176.300 -0.125 0.000 0.964 210 D CA 1.317 55.253 54.000 -0.106 0.000 0.846 210 D CB 0.338 40.926 40.800 -0.352 0.000 0.962 210 D HN 0.369 nan 8.370 nan 0.000 0.490 211 I N 0.722 121.187 120.570 -0.176 0.000 2.619 211 I HA 0.314 4.484 4.170 0.000 0.000 0.292 211 I C -0.831 175.221 176.117 -0.107 0.000 1.100 211 I CA -0.631 60.582 61.300 -0.146 0.000 1.043 211 I CB 2.993 40.847 38.000 -0.242 0.000 1.239 211 I HN -0.328 nan 8.210 nan 0.000 0.420 212 I N 6.479 127.000 120.570 -0.082 0.000 2.466 212 I HA 0.509 4.679 4.170 0.000 0.000 0.289 212 I C -0.767 175.323 176.117 -0.045 0.000 1.026 212 I CA -0.442 60.819 61.300 -0.065 0.000 1.078 212 I CB 1.979 39.936 38.000 -0.072 0.000 1.249 212 I HN 0.334 nan 8.210 nan 0.000 0.429 213 I N 4.809 125.368 120.570 -0.017 0.000 2.569 213 I HA 0.639 4.809 4.170 0.000 0.000 0.296 213 I C -0.073 176.072 176.117 0.047 0.000 1.028 213 I CA -0.644 60.658 61.300 0.003 0.000 1.082 213 I CB 2.204 40.199 38.000 -0.009 0.000 1.264 213 I HN 0.599 nan 8.210 nan 0.000 0.429 214 A N 4.547 127.400 122.820 0.054 0.000 2.288 214 A HA 0.848 5.168 4.320 0.000 0.000 0.320 214 A C -0.390 177.247 177.584 0.088 0.000 1.217 214 A CA -0.528 51.558 52.037 0.082 0.000 0.840 214 A CB 1.043 20.087 19.000 0.075 0.000 1.179 214 A HN 0.761 nan 8.150 nan 0.000 0.504 215 A N 2.640 125.531 122.820 0.118 0.000 2.260 215 A HA 0.746 5.066 4.320 0.000 0.000 0.314 215 A C 0.354 178.021 177.584 0.139 0.000 1.257 215 A CA 0.179 52.292 52.037 0.126 0.000 0.871 215 A CB 0.133 19.223 19.000 0.151 0.000 1.166 215 A HN 1.601 nan 8.150 nan 0.000 0.522 216 T N -0.578 114.057 114.554 0.134 0.000 2.906 216 T HA 0.552 4.902 4.350 0.000 0.000 0.295 216 T C -0.821 173.983 174.700 0.173 0.000 1.075 216 T CA -0.483 61.703 62.100 0.143 0.000 1.005 216 T CB 1.436 70.364 68.868 0.101 0.000 1.136 216 T HN 0.637 nan 8.240 nan 0.000 0.498 217 H N 1.508 120.633 119.070 0.092 0.000 2.340 217 H HA 0.604 5.160 4.556 0.000 0.000 0.233 217 H C 0.247 175.582 175.328 0.012 0.000 1.435 217 H CA -0.582 55.520 56.048 0.090 0.000 1.389 217 H CB -0.012 29.802 29.762 0.087 0.000 1.491 217 H HN 0.674 nan 8.280 nan 0.000 0.518 218 M N 0.876 120.423 119.600 -0.088 0.000 2.312 218 M HA 0.327 4.807 4.480 0.000 0.000 0.260 218 M C 0.409 176.774 176.300 0.108 0.000 1.253 218 M CA 0.659 55.953 55.300 -0.010 0.000 1.114 218 M CB 1.426 34.053 32.600 0.045 0.000 1.660 218 M HN 0.589 nan 8.290 nan 0.000 0.581 219 G N 0.914 109.708 108.800 -0.010 0.000 2.770 219 G HA2 -0.128 3.832 3.960 0.000 0.000 0.686 219 G HA3 -0.128 3.832 3.960 0.000 0.000 0.686 219 G C -1.450 173.166 174.900 -0.474 0.000 1.180 219 G CA -0.895 44.060 45.100 -0.242 0.000 0.767 219 G HN 0.453 nan 8.290 nan 0.000 0.646 220 H N 1.619 120.307 119.070 -0.636 0.000 2.541 220 H HA 0.638 5.194 4.556 0.000 0.000 0.316 220 H C -1.088 173.868 175.328 -0.620 0.000 1.043 220 H CA -0.400 55.376 56.048 -0.452 0.000 1.232 220 H CB 0.814 30.433 29.762 -0.237 0.000 1.406 220 H HN 0.446 nan 8.280 nan 0.000 0.469 221 Y N 2.686 122.817 120.300 -0.282 0.000 2.350 221 Y HA 0.126 4.677 4.550 0.000 0.000 0.338 221 Y C 0.203 175.991 175.900 -0.187 0.000 0.961 221 Y CA -1.199 56.839 58.100 -0.104 0.000 1.100 221 Y CB 0.991 39.435 38.460 -0.026 0.000 1.179 221 Y HN 0.554 nan 8.280 nan 0.000 0.454 222 D N 2.862 123.334 120.400 0.121 0.000 2.662 222 D HA -0.115 4.525 4.640 0.000 0.000 0.233 222 D C 0.884 177.203 176.300 0.033 0.000 1.129 222 D CA 1.232 55.291 54.000 0.098 0.000 0.851 222 D CB 0.126 40.985 40.800 0.097 0.000 1.152 222 D HN 0.701 nan 8.370 nan 0.000 0.507 223 N N 1.788 120.493 118.700 0.007 0.000 2.681 223 N HA -0.252 4.488 4.740 0.000 0.000 0.250 223 N C 0.811 176.310 175.510 -0.018 0.000 1.133 223 N CA 1.943 54.988 53.050 -0.009 0.000 0.732 223 N CB -0.982 37.502 38.487 -0.005 0.000 1.107 223 N HN 0.773 nan 8.380 nan 0.000 0.559 224 G N -0.950 107.843 108.800 -0.012 0.000 2.160 224 G HA2 -0.327 3.633 3.960 0.000 0.000 0.251 224 G HA3 -0.327 3.633 3.960 0.000 0.000 0.251 224 G C -0.227 174.662 174.900 -0.018 0.000 1.008 224 G CA 0.434 45.558 45.100 0.041 0.000 0.724 224 G HN 0.650 nan 8.290 nan 0.000 0.514 225 E N 0.395 120.565 120.200 -0.049 0.000 1.892 225 E HA 0.324 4.674 4.350 0.000 0.000 0.271 225 E C 1.313 177.770 176.600 -0.238 0.000 1.146 225 E CA -0.034 56.255 56.400 -0.184 0.000 1.096 225 E CB -0.132 29.511 29.700 -0.095 0.000 1.155 225 E HN 0.840 nan 8.360 nan 0.000 0.458 226 H N 0.854 119.775 119.070 -0.248 0.000 2.547 226 H HA 0.173 4.730 4.556 0.000 0.000 0.272 226 H C 1.295 176.337 175.328 -0.476 0.000 0.989 226 H CA 0.251 55.892 56.048 -0.677 0.000 1.214 226 H CB 0.026 29.452 29.762 -0.561 0.000 1.389 226 H HN 0.458 nan 8.280 nan 0.000 0.577 227 G N 0.644 109.220 108.800 -0.374 0.000 2.583 227 G HA2 -0.445 3.515 3.960 0.000 0.000 0.292 227 G HA3 -0.445 3.515 3.960 0.000 0.000 0.292 227 G C 1.554 176.441 174.900 -0.022 0.000 1.203 227 G CA 1.744 46.737 45.100 -0.179 0.000 0.987 227 G HN 0.983 nan 8.290 nan 0.000 0.554 228 S N 0.871 116.548 115.700 -0.037 0.000 2.522 228 S HA 0.092 4.563 4.470 0.000 0.000 0.227 228 S C 0.928 175.520 174.600 -0.014 0.000 0.986 228 S CA 0.950 59.144 58.200 -0.010 0.000 0.929 228 S CB -0.243 62.940 63.200 -0.029 0.000 0.769 228 S HN 0.694 nan 8.310 nan 0.000 0.529 229 N N 2.299 120.963 118.700 -0.060 0.000 2.444 229 N HA 0.405 5.145 4.740 0.000 0.000 0.255 229 N C 0.068 175.505 175.510 -0.122 0.000 1.255 229 N CA 0.398 53.398 53.050 -0.083 0.000 0.933 229 N CB 0.602 38.962 38.487 -0.211 0.000 1.143 229 N HN 0.427 nan 8.380 nan 0.000 0.453 230 A N 1.739 124.507 122.820 -0.087 0.000 2.425 230 A HA 0.298 4.618 4.320 0.000 0.000 0.242 230 A C -2.025 175.392 177.584 -0.279 0.000 1.077 230 A CA -0.892 51.042 52.037 -0.172 0.000 0.781 230 A CB -0.462 18.489 19.000 -0.081 0.000 1.020 230 A HN 0.411 nan 8.150 nan 0.000 0.494 231 P HA 0.185 nan 4.420 nan 0.000 0.265 231 P C 0.565 177.848 177.300 -0.028 0.000 1.187 231 P CA 0.912 63.743 63.100 -0.447 0.000 0.766 231 P CB 0.747 32.251 31.700 -0.327 0.000 0.820 232 G N 1.391 110.288 108.800 0.162 0.000 3.135 232 G HA2 0.122 4.082 3.960 0.000 0.000 0.159 232 G HA3 0.122 4.082 3.960 0.000 0.000 0.159 232 G C 0.395 175.346 174.900 0.085 0.000 1.244 232 G CA -0.285 44.927 45.100 0.187 0.000 0.965 232 G HN 0.289 nan 8.290 nan 0.000 0.599 233 D N -0.559 119.860 120.400 0.033 0.000 2.123 233 D HA -0.120 4.520 4.640 0.000 0.000 0.196 233 D C 2.696 178.993 176.300 -0.006 0.000 0.992 233 D CA 0.900 54.908 54.000 0.013 0.000 0.833 233 D CB -0.208 40.601 40.800 0.014 0.000 0.954 233 D HN 0.042 nan 8.370 nan 0.000 0.455 234 V N 1.027 120.906 119.914 -0.058 0.000 2.270 234 V HA -0.211 3.909 4.120 0.000 0.000 0.245 234 V C 2.505 178.597 176.094 -0.003 0.000 1.043 234 V CA 1.758 64.019 62.300 -0.065 0.000 1.014 234 V CB -0.446 31.284 31.823 -0.155 0.000 0.645 234 V HN 0.185 nan 8.190 nan 0.000 0.447 235 E N -0.334 119.890 120.200 0.039 0.000 2.110 235 E HA -0.283 4.067 4.350 0.000 0.000 0.193 235 E C 2.227 178.845 176.600 0.030 0.000 0.988 235 E CA 1.784 58.215 56.400 0.052 0.000 0.804 235 E CB -0.145 29.614 29.700 0.099 0.000 0.745 235 E HN 0.586 nan 8.360 nan 0.000 0.458 236 M N 0.101 119.718 119.600 0.029 0.000 2.132 236 M HA -0.128 4.353 4.480 0.000 0.000 0.263 236 M C 2.221 178.531 176.300 0.016 0.000 1.065 236 M CA 1.804 57.118 55.300 0.025 0.000 1.122 236 M CB -0.077 32.543 32.600 0.033 0.000 1.365 236 M HN 0.187 nan 8.290 nan 0.000 0.411 237 A N 0.751 123.577 122.820 0.010 0.000 1.940 237 A HA -0.189 4.132 4.320 0.000 0.000 0.219 237 A C 2.072 179.650 177.584 -0.009 0.000 1.176 237 A CA 1.849 53.886 52.037 -0.000 0.000 0.631 237 A CB -0.707 18.289 19.000 -0.008 0.000 0.814 237 A HN 0.624 nan 8.150 nan 0.000 0.446 238 R N -0.760 119.736 120.500 -0.007 0.000 2.189 238 R HA 0.048 4.388 4.340 0.000 0.000 0.223 238 R C 2.069 178.367 176.300 -0.004 0.000 1.092 238 R CA 0.902 56.996 56.100 -0.010 0.000 0.989 238 R CB -0.251 30.046 30.300 -0.006 0.000 0.876 238 R HN 0.509 nan 8.270 nan 0.000 0.457 239 A N 0.545 123.367 122.820 0.003 0.000 2.147 239 A HA 0.171 4.491 4.320 0.000 0.000 0.211 239 A C 0.912 178.498 177.584 0.004 0.000 1.160 239 A CA 0.054 52.094 52.037 0.005 0.000 0.781 239 A CB 0.153 19.160 19.000 0.012 0.000 0.842 239 A HN 0.047 nan 8.150 nan 0.000 0.475 240 L N 0.078 121.303 121.223 0.002 0.000 2.468 240 L HA 0.293 4.633 4.340 0.000 0.000 0.254 240 L C -2.341 174.525 176.870 -0.006 0.000 1.171 240 L CA -2.189 52.652 54.840 0.001 0.000 0.809 240 L CB 0.159 42.219 42.059 0.003 0.000 1.155 240 L HN -0.026 nan 8.230 nan 0.000 0.473 241 P HA 0.049 nan 4.420 nan 0.000 0.268 241 P C -0.769 176.521 177.300 -0.016 0.000 1.205 241 P CA -0.253 62.841 63.100 -0.010 0.000 0.771 241 P CB 0.614 32.310 31.700 -0.008 0.000 0.858 242 A N 3.570 126.378 122.820 -0.020 0.000 2.584 242 A HA 0.336 4.656 4.320 0.000 0.000 0.239 242 A C 1.579 179.146 177.584 -0.028 0.000 1.043 242 A CA 0.742 52.761 52.037 -0.030 0.000 0.756 242 A CB -1.410 17.570 19.000 -0.033 0.000 0.963 242 A HN 0.913 nan 8.150 nan 0.000 0.511 243 G N 1.820 110.597 108.800 -0.038 0.000 2.233 243 G HA2 -0.287 3.673 3.960 0.000 0.000 0.270 243 G HA3 -0.287 3.673 3.960 0.000 0.000 0.270 243 G C 0.982 175.876 174.900 -0.011 0.000 1.011 243 G CA 1.295 46.379 45.100 -0.028 0.000 0.762 243 G HN 2.073 nan 8.290 nan 0.000 0.511 244 S N -1.514 114.179 115.700 -0.012 0.000 2.522 244 S HA 0.439 4.909 4.470 0.000 0.000 0.227 244 S C 0.837 175.431 174.600 -0.010 0.000 0.986 244 S CA 0.478 58.672 58.200 -0.010 0.000 0.929 244 S CB 0.430 63.623 63.200 -0.011 0.000 0.769 244 S HN 0.545 nan 8.310 nan 0.000 0.529 245 L N 0.215 121.436 121.223 -0.003 0.000 2.381 245 L HA 0.641 4.981 4.340 0.000 0.000 0.268 245 L C 1.022 177.902 176.870 0.017 0.000 0.997 245 L CA -0.544 54.297 54.840 0.001 0.000 0.818 245 L CB 1.807 43.874 42.059 0.014 0.000 1.310 245 L HN 0.092 nan 8.230 nan 0.000 0.416 246 A N 3.652 126.472 122.820 0.000 0.000 1.929 246 A HA 0.126 4.447 4.320 0.000 0.000 0.216 246 A C 0.586 178.263 177.584 0.155 0.000 1.176 246 A CA 1.203 53.253 52.037 0.021 0.000 0.628 246 A CB 0.210 19.101 19.000 -0.180 0.000 0.816 246 A HN 0.711 nan 8.150 nan 0.000 0.444 247 M N -1.614 118.045 119.600 0.097 0.000 2.605 247 M HA 0.508 4.988 4.480 0.000 0.000 0.281 247 M C -2.433 173.915 176.300 0.080 0.000 1.166 247 M CA -0.529 54.872 55.300 0.167 0.000 0.875 247 M CB 1.365 34.090 32.600 0.208 0.000 1.732 247 M HN 0.037 nan 8.290 nan 0.000 0.504 248 I N 3.108 123.723 120.570 0.075 0.000 2.362 248 I HA 0.416 4.586 4.170 0.000 0.000 0.289 248 I C -0.886 175.232 176.117 0.002 0.000 0.994 248 I CA -0.882 60.444 61.300 0.044 0.000 1.158 248 I CB 1.947 39.977 38.000 0.050 0.000 1.315 248 I HN 0.340 nan 8.210 nan 0.000 0.451 249 V N 6.518 126.426 119.914 -0.010 0.000 2.318 249 V HA 0.484 4.604 4.120 0.000 0.000 0.271 249 V C 0.757 176.869 176.094 0.030 0.000 1.030 249 V CA -0.171 62.086 62.300 -0.071 0.000 0.844 249 V CB 0.800 32.593 31.823 -0.051 0.000 1.015 249 V HN 0.911 nan 8.190 nan 0.000 0.460 250 G N 2.982 111.803 108.800 0.034 0.000 2.671 250 G HA2 0.896 4.856 3.960 0.000 0.000 0.275 250 G HA3 0.896 4.856 3.960 0.000 0.000 0.275 250 G C 0.011 174.976 174.900 0.109 0.000 1.368 250 G CA -0.088 45.054 45.100 0.070 0.000 1.044 250 G HN 1.090 nan 8.290 nan 0.000 0.543 251 G N -3.377 105.460 108.800 0.062 0.000 2.393 251 G HA2 0.487 4.447 3.960 0.000 0.000 0.264 251 G HA3 0.487 4.447 3.960 0.000 0.000 0.264 251 G C 0.040 174.897 174.900 -0.072 0.000 1.221 251 G CA 1.037 46.181 45.100 0.074 0.000 0.912 251 G HN 1.677 nan 8.290 nan 0.000 0.483 252 H N -1.167 117.728 119.070 -0.292 0.000 4.919 252 H HA -0.333 4.223 4.556 0.000 0.000 0.068 252 H C 2.295 177.605 175.328 -0.030 0.000 0.578 252 H CA 3.992 59.822 56.048 -0.364 0.000 1.013 252 H CB -1.426 27.868 29.762 -0.780 0.000 0.454 252 H HN 1.241 nan 8.280 nan 0.000 0.774 253 S N 1.053 116.666 115.700 -0.145 0.000 2.481 253 S HA -0.021 4.449 4.470 0.000 0.000 0.231 253 S C 0.831 175.388 174.600 -0.071 0.000 0.996 253 S CA 1.033 59.124 58.200 -0.182 0.000 0.942 253 S CB -0.018 62.998 63.200 -0.307 0.000 0.768 253 S HN 0.717 nan 8.310 nan 0.000 0.520 254 Q N 1.387 121.185 119.800 -0.003 0.000 2.451 254 Q HA -0.109 4.231 4.340 0.000 0.000 0.334 254 Q C -1.464 174.538 176.000 0.003 0.000 1.462 254 Q CA 0.714 56.562 55.803 0.075 0.000 0.876 254 Q CB -1.546 27.252 28.738 0.100 0.000 1.125 254 Q HN 0.676 nan 8.270 nan 0.000 0.358 255 D N 0.762 121.105 120.400 -0.095 0.000 2.732 255 D HA 0.398 5.038 4.640 0.000 0.000 0.229 255 D C -2.663 173.465 176.300 -0.287 0.000 1.152 255 D CA -1.502 52.324 54.000 -0.289 0.000 0.854 255 D CB 2.271 42.930 40.800 -0.234 0.000 1.590 255 D HN -0.079 nan 8.370 nan 0.000 0.468 256 P HA 0.146 nan 4.420 nan 0.000 0.292 256 P C -0.133 176.893 177.300 -0.457 0.000 1.326 256 P CA -0.466 62.365 63.100 -0.449 0.000 0.787 256 P CB 1.085 32.384 31.700 -0.667 0.000 0.903 257 V N 5.014 124.701 119.914 -0.379 0.000 2.313 257 V HA 0.088 4.208 4.120 0.000 0.000 0.252 257 V C 0.223 176.075 176.094 -0.403 0.000 1.112 257 V CA 0.245 62.277 62.300 -0.446 0.000 0.984 257 V CB -0.520 31.014 31.823 -0.482 0.000 1.157 257 V HN 0.633 nan 8.190 nan 0.000 0.493 258 c N 6.723 125.082 118.600 -0.402 0.000 2.383 258 c HA 0.551 5.121 4.570 0.000 0.000 0.330 258 c C 0.170 174.145 174.090 -0.191 0.000 1.168 258 c CA -1.219 54.920 56.329 -0.317 0.000 1.374 258 c CB 0.769 42.974 42.510 -0.509 0.000 2.014 258 c HN 0.647 nan 8.230 nan 0.000 0.439 259 M N 2.331 121.855 119.600 -0.128 0.000 2.217 259 M HA 0.259 4.739 4.480 0.000 0.000 0.354 259 M C 1.051 177.334 176.300 -0.027 0.000 1.225 259 M CA -0.312 54.946 55.300 -0.070 0.000 1.137 259 M CB 0.270 32.847 32.600 -0.039 0.000 1.576 259 M HN 0.811 nan 8.290 nan 0.000 0.461 260 A N 2.424 125.235 122.820 -0.015 0.000 2.044 260 A HA 0.600 4.920 4.320 0.000 0.000 0.213 260 A C 0.855 178.441 177.584 0.004 0.000 1.169 260 A CA 1.051 53.090 52.037 0.002 0.000 0.724 260 A CB 0.201 19.203 19.000 0.004 0.000 0.840 260 A HN 0.889 nan 8.150 nan 0.000 0.463 261 A N -1.084 121.738 122.820 0.003 0.000 2.586 261 A HA 0.531 4.852 4.320 0.000 0.000 0.290 261 A C -0.636 176.952 177.584 0.006 0.000 1.086 261 A CA -0.334 51.706 52.037 0.005 0.000 0.665 261 A CB 0.057 19.059 19.000 0.005 0.000 1.279 261 A HN 0.215 nan 8.150 nan 0.000 0.423 262 E N 1.126 121.328 120.200 0.005 0.000 2.529 262 E HA 0.015 4.365 4.350 0.000 0.000 0.259 262 E C -0.138 176.469 176.600 0.011 0.000 0.966 262 E CA 0.724 57.126 56.400 0.004 0.000 0.937 262 E CB -0.040 29.658 29.700 -0.003 0.000 0.923 262 E HN 0.535 nan 8.360 nan 0.000 0.468 263 N N 2.381 121.095 118.700 0.023 0.000 2.708 263 N HA -0.233 4.507 4.740 0.000 0.000 0.249 263 N C -1.130 174.410 175.510 0.050 0.000 1.097 263 N CA 1.295 54.369 53.050 0.040 0.000 0.710 263 N CB -0.724 37.774 38.487 0.019 0.000 1.032 263 N HN 0.392 nan 8.380 nan 0.000 0.551 264 K N 0.882 121.307 120.400 0.042 0.000 2.652 264 K HA 0.290 4.610 4.320 0.000 0.000 0.249 264 K C -0.617 175.989 176.600 0.011 0.000 0.986 264 K CA -0.454 55.853 56.287 0.033 0.000 0.867 264 K CB 1.134 33.644 32.500 0.017 0.000 1.201 264 K HN -0.020 nan 8.250 nan 0.000 0.450 265 K N 2.186 122.589 120.400 0.005 0.000 2.319 265 K HA 0.125 4.445 4.320 0.000 0.000 0.265 265 K C -0.129 176.446 176.600 -0.043 0.000 1.000 265 K CA -0.215 56.032 56.287 -0.065 0.000 0.943 265 K CB 0.591 33.024 32.500 -0.111 0.000 0.950 265 K HN 0.564 nan 8.250 nan 0.000 0.485 266 Q N 0.915 120.684 119.800 -0.050 0.000 2.395 266 Q HA 0.075 4.415 4.340 0.000 0.000 0.271 266 Q C -0.402 175.594 176.000 -0.007 0.000 1.026 266 Q CA -0.132 55.669 55.803 -0.003 0.000 0.900 266 Q CB 0.807 29.578 28.738 0.056 0.000 1.266 266 Q HN 0.228 nan 8.270 nan 0.000 0.430 267 V N 2.593 122.510 119.914 0.005 0.000 2.532 267 V HA 0.051 4.171 4.120 0.000 0.000 0.295 267 V C -0.227 175.875 176.094 0.014 0.000 1.041 267 V CA -0.415 61.884 62.300 -0.001 0.000 0.926 267 V CB 1.609 33.430 31.823 -0.003 0.000 0.992 267 V HN 0.855 nan 8.190 nan 0.000 0.457 268 D N 2.180 122.587 120.400 0.012 0.000 2.737 268 D HA -0.237 4.403 4.640 0.000 0.000 0.238 268 D C -0.362 175.960 176.300 0.037 0.000 1.157 268 D CA 0.712 54.725 54.000 0.021 0.000 0.694 268 D CB -0.740 40.063 40.800 0.004 0.000 1.021 268 D HN 0.624 nan 8.370 nan 0.000 0.420 269 Y N 0.035 120.294 120.300 -0.067 0.000 2.610 269 Y HA 0.217 4.767 4.550 0.000 0.000 0.332 269 Y C -0.038 175.835 175.900 -0.045 0.000 1.201 269 Y CA -0.124 57.931 58.100 -0.074 0.000 1.465 269 Y CB 0.696 39.080 38.460 -0.126 0.000 1.283 269 Y HN -0.033 nan 8.280 nan 0.000 0.563 270 V N 9.190 128.611 119.914 -0.822 0.000 2.394 270 V HA 0.294 4.414 4.120 0.000 0.000 0.282 270 V C -2.101 173.390 176.094 -1.005 0.000 1.031 270 V CA -2.208 59.695 62.300 -0.662 0.000 0.881 270 V CB 1.094 32.716 31.823 -0.335 0.000 0.982 270 V HN 0.757 nan 8.190 nan 0.000 0.451 271 P HA 0.151 nan 4.420 nan 0.000 0.265 271 P C 1.035 177.992 177.300 -0.572 0.000 1.187 271 P CA 1.508 64.231 63.100 -0.629 0.000 0.766 271 P CB 0.533 31.584 31.700 -1.082 0.000 0.820 272 G N 1.149 109.822 108.800 -0.212 0.000 2.205 272 G HA2 -0.225 3.735 3.960 0.000 0.000 0.261 272 G HA3 -0.225 3.735 3.960 0.000 0.000 0.261 272 G C 0.346 175.198 174.900 -0.079 0.000 0.980 272 G CA 0.480 45.522 45.100 -0.096 0.000 0.632 272 G HN 0.815 nan 8.290 nan 0.000 0.533 273 T N -0.888 113.571 114.554 -0.158 0.000 2.927 273 T HA 0.662 5.012 4.350 0.000 0.000 0.281 273 T C -2.257 172.489 174.700 0.076 0.000 0.998 273 T CA -1.552 60.500 62.100 -0.080 0.000 1.019 273 T CB 2.111 70.879 68.868 -0.166 0.000 1.061 273 T HN 0.053 nan 8.240 nan 0.000 0.518 274 P HA 0.231 nan 4.420 nan 0.000 0.265 274 P C -0.812 176.586 177.300 0.164 0.000 1.187 274 P CA -0.418 62.736 63.100 0.089 0.000 0.766 274 P CB 0.210 31.941 31.700 0.052 0.000 0.820 275 c N 4.678 123.336 118.600 0.097 0.000 2.383 275 c HA 0.374 4.944 4.570 0.000 0.000 0.330 275 c C -0.250 173.884 174.090 0.073 0.000 1.168 275 c CA -0.726 55.619 56.329 0.028 0.000 1.374 275 c CB -0.421 42.050 42.510 -0.064 0.000 2.014 275 c HN 0.551 nan 8.230 nan 0.000 0.439 276 K N 8.061 128.456 120.400 -0.008 0.000 2.264 276 K HA 0.446 4.766 4.320 0.000 0.000 0.277 276 K C -2.241 174.297 176.600 -0.104 0.000 1.067 276 K CA -1.258 55.017 56.287 -0.019 0.000 0.900 276 K CB 1.196 33.704 32.500 0.014 0.000 1.124 276 K HN 0.534 nan 8.250 nan 0.000 0.469 277 P HA 0.009 nan 4.420 nan 0.000 0.272 277 P C -0.570 176.729 177.300 -0.001 0.000 1.240 277 P CA -0.255 62.670 63.100 -0.293 0.000 0.791 277 P CB 0.659 31.972 31.700 -0.645 0.000 0.978 278 D N 0.011 120.399 120.400 -0.019 0.000 2.344 278 D HA 0.156 4.796 4.640 0.000 0.000 0.244 278 D C -0.537 175.823 176.300 0.099 0.000 1.134 278 D CA 0.206 54.239 54.000 0.056 0.000 0.930 278 D CB 0.518 41.396 40.800 0.130 0.000 1.175 278 D HN 0.273 nan 8.370 nan 0.000 0.437 279 Q N 1.548 121.325 119.800 -0.039 0.000 2.263 279 Q HA 0.273 4.614 4.340 0.000 0.000 0.266 279 Q C -1.649 174.240 176.000 -0.184 0.000 1.002 279 Q CA -0.773 54.873 55.803 -0.262 0.000 0.790 279 Q CB 1.166 29.484 28.738 -0.699 0.000 1.272 279 Q HN 0.305 nan 8.270 nan 0.000 0.435 280 Q N 2.724 122.433 119.800 -0.153 0.000 2.304 280 Q HA 0.240 4.581 4.340 0.000 0.000 0.270 280 Q C -0.737 175.197 176.000 -0.110 0.000 1.035 280 Q CA -0.570 55.171 55.803 -0.102 0.000 0.781 280 Q CB 1.786 30.495 28.738 -0.048 0.000 1.261 280 Q HN 0.898 nan 8.270 nan 0.000 0.444 281 N N 1.325 119.964 118.700 -0.101 0.000 2.721 281 N HA -0.268 4.472 4.740 0.000 0.000 0.249 281 N C 0.628 176.072 175.510 -0.109 0.000 1.072 281 N CA 1.987 54.986 53.050 -0.086 0.000 0.710 281 N CB -0.937 37.518 38.487 -0.054 0.000 0.993 281 N HN 1.089 nan 8.380 nan 0.000 0.547 282 G N -1.733 106.963 108.800 -0.173 0.000 2.184 282 G HA2 -0.303 3.657 3.960 0.000 0.000 0.264 282 G HA3 -0.303 3.657 3.960 0.000 0.000 0.264 282 G C 0.187 174.940 174.900 -0.246 0.000 0.975 282 G CA 0.466 45.438 45.100 -0.213 0.000 0.642 282 G HN 0.558 nan 8.290 nan 0.000 0.536 283 I N 0.156 120.605 120.570 -0.202 0.000 2.354 283 I HA 0.424 4.594 4.170 0.000 0.000 0.292 283 I C 0.402 176.452 176.117 -0.112 0.000 0.989 283 I CA -1.077 60.153 61.300 -0.115 0.000 1.188 283 I CB 0.758 38.739 38.000 -0.033 0.000 1.342 283 I HN 0.127 nan 8.210 nan 0.000 0.457 284 W N 6.907 128.220 121.300 0.021 0.000 2.190 284 W HA 0.427 5.088 4.660 0.001 0.000 0.330 284 W C -0.157 176.336 176.519 -0.042 0.000 1.299 284 W CA -0.180 57.157 57.345 -0.013 0.000 1.215 284 W CB 0.491 29.969 29.460 0.029 0.000 1.147 284 W HN 0.209 nan 8.180 nan 0.000 0.563 285 I N 4.772 125.456 120.570 0.191 0.000 2.447 285 I HA 0.406 4.577 4.170 0.000 0.000 0.287 285 I C -0.195 175.897 176.117 -0.041 0.000 1.023 285 I CA -1.189 60.160 61.300 0.082 0.000 1.083 285 I CB 0.917 38.998 38.000 0.134 0.000 1.245 285 I HN 0.167 nan 8.210 nan 0.000 0.434 286 V N 2.822 122.668 119.914 -0.114 0.000 3.126 286 V HA 0.754 4.874 4.120 0.000 0.000 0.314 286 V C -0.980 175.068 176.094 -0.077 0.000 1.138 286 V CA -0.490 61.688 62.300 -0.203 0.000 1.034 286 V CB 2.077 33.684 31.823 -0.359 0.000 1.075 286 V HN 0.908 nan 8.190 nan 0.000 0.442 287 Q N 0.715 120.552 119.800 0.062 0.000 2.503 287 Q HA 0.685 5.025 4.340 0.000 0.000 0.268 287 Q C -1.108 174.991 176.000 0.165 0.000 0.982 287 Q CA -0.107 55.783 55.803 0.144 0.000 0.907 287 Q CB 2.159 30.903 28.738 0.009 0.000 1.467 287 Q HN 1.425 nan 8.270 nan 0.000 0.394 288 A N 2.953 125.878 122.820 0.175 0.000 2.827 288 A HA 0.296 4.616 4.320 0.000 0.000 0.300 288 A C 0.273 177.970 177.584 0.187 0.000 1.237 288 A CA 0.764 52.836 52.037 0.058 0.000 0.964 288 A CB -0.645 18.314 19.000 -0.070 0.000 1.143 288 A HN 1.116 nan 8.150 nan 0.000 0.554 289 H N 0.331 119.396 119.070 -0.008 0.000 1.456 289 H HA -0.301 4.255 4.556 0.001 0.000 0.090 289 H C 0.343 175.639 175.328 -0.054 0.000 0.611 289 H CA 2.101 58.139 56.048 -0.018 0.000 1.901 289 H CB -0.865 28.950 29.762 0.087 0.000 2.256 289 H HN 0.717 nan 8.280 nan 0.000 0.961 290 E N -1.248 118.892 120.200 -0.099 0.000 2.427 290 E HA 0.096 4.447 4.350 0.000 0.000 0.279 290 E C -0.886 175.514 176.600 -0.334 0.000 1.120 290 E CA -0.197 56.044 56.400 -0.265 0.000 0.869 290 E CB 0.375 29.681 29.700 -0.656 0.000 1.393 290 E HN 0.488 nan 8.360 nan 0.000 0.443 291 W N 0.142 121.225 121.300 -0.361 0.000 4.650 291 W HA -0.203 4.458 4.660 0.001 0.000 0.335 291 W C 1.097 177.235 176.519 -0.636 0.000 1.222 291 W CA 2.083 59.006 57.345 -0.703 0.000 0.807 291 W CB -2.402 26.232 29.460 -1.377 0.000 2.290 291 W HN 1.602 nan 8.180 nan 0.000 1.514 292 G N -1.209 107.549 108.800 -0.070 0.000 2.153 292 G HA2 -0.437 3.524 3.960 0.000 0.000 0.252 292 G HA3 -0.437 3.524 3.960 0.000 0.000 0.252 292 G C 1.378 176.215 174.900 -0.105 0.000 0.994 292 G CA 0.825 45.929 45.100 0.007 0.000 0.698 292 G HN 0.433 nan 8.290 nan 0.000 0.521 293 K N -1.494 118.737 120.400 -0.281 0.000 2.147 293 K HA 0.046 4.367 4.320 0.000 0.000 0.205 293 K C 0.417 176.756 176.600 -0.436 0.000 1.049 293 K CA 1.222 57.288 56.287 -0.367 0.000 0.936 293 K CB 0.022 32.178 32.500 -0.573 0.000 0.722 293 K HN 0.570 nan 8.250 nan 0.000 0.446 294 Y N -1.443 118.835 120.300 -0.036 0.000 2.553 294 Y HA 0.351 4.901 4.550 0.001 0.000 0.347 294 Y C -0.636 175.211 175.900 -0.089 0.000 1.019 294 Y CA -1.256 56.816 58.100 -0.047 0.000 1.032 294 Y CB 1.782 40.209 38.460 -0.055 0.000 1.284 294 Y HN -0.437 nan 8.280 nan 0.000 0.466 295 V N 2.150 122.097 119.914 0.056 0.000 2.378 295 V HA 0.593 4.713 4.120 0.000 0.000 0.288 295 V C 0.303 176.276 176.094 -0.202 0.000 1.016 295 V CA -0.804 61.446 62.300 -0.082 0.000 0.840 295 V CB 1.246 33.023 31.823 -0.076 0.000 0.994 295 V HN 0.942 nan 8.190 nan 0.000 0.431 296 G N 4.026 112.544 108.800 -0.470 0.000 2.432 296 G HA2 0.502 4.462 3.960 0.000 0.000 0.257 296 G HA3 0.502 4.462 3.960 0.000 0.000 0.257 296 G C -0.308 174.406 174.900 -0.311 0.000 1.238 296 G CA -0.369 44.394 45.100 -0.562 0.000 0.838 296 G HN 0.651 nan 8.290 nan 0.000 0.547 297 R N 1.323 121.579 120.500 -0.405 0.000 2.473 297 R HA 0.542 4.882 4.340 0.000 0.000 0.303 297 R C -0.779 175.325 176.300 -0.327 0.000 1.002 297 R CA -0.595 55.346 56.100 -0.265 0.000 0.884 297 R CB 1.267 31.419 30.300 -0.247 0.000 1.173 297 R HN 0.602 nan 8.270 nan 0.000 0.464 298 A N 4.289 127.085 122.820 -0.040 0.000 2.267 298 A HA 0.337 4.658 4.320 0.000 0.000 0.315 298 A C -1.034 176.460 177.584 -0.151 0.000 1.297 298 A CA -0.759 51.254 52.037 -0.040 0.000 0.865 298 A CB 0.788 19.864 19.000 0.128 0.000 1.165 298 A HN 0.685 nan 8.150 nan 0.000 0.513 299 D N 2.491 122.728 120.400 -0.271 0.000 2.317 299 D HA 0.468 5.108 4.640 0.000 0.000 0.234 299 D C -0.810 175.314 176.300 -0.292 0.000 1.112 299 D CA 0.669 54.563 54.000 -0.177 0.000 0.840 299 D CB 0.791 41.511 40.800 -0.134 0.000 1.078 299 D HN 0.343 nan 8.370 nan 0.000 0.486 300 F N 0.824 120.767 119.950 -0.012 0.000 2.523 300 F HA 0.340 4.867 4.527 0.000 0.000 0.329 300 F C 0.951 176.786 175.800 0.059 0.000 1.061 300 F CA -0.701 57.310 58.000 0.019 0.000 0.967 300 F CB 1.715 40.740 39.000 0.041 0.000 1.218 300 F HN 0.017 nan 8.300 nan 0.000 0.480 301 E N 1.559 121.948 120.200 0.316 0.000 2.256 301 E HA 0.285 4.635 4.350 0.000 0.000 0.268 301 E C -1.800 174.973 176.600 0.288 0.000 0.877 301 E CA -0.737 55.809 56.400 0.243 0.000 0.757 301 E CB 2.937 32.718 29.700 0.136 0.000 1.183 301 E HN 0.417 nan 8.360 nan 0.000 0.418 302 F N 2.989 123.017 119.950 0.130 0.000 2.482 302 F HA 0.532 5.059 4.527 0.000 0.000 0.331 302 F C -0.675 175.168 175.800 0.072 0.000 1.115 302 F CA -0.598 57.437 58.000 0.058 0.000 0.955 302 F CB 1.159 40.145 39.000 -0.024 0.000 1.136 302 F HN 0.324 nan 8.300 nan 0.000 0.452 303 R N 5.147 125.284 120.500 -0.604 0.000 2.508 303 R HA 0.256 4.597 4.340 0.000 0.000 0.283 303 R C -0.855 175.045 176.300 -0.667 0.000 1.120 303 R CA -0.486 55.358 56.100 -0.427 0.000 0.958 303 R CB 0.729 30.939 30.300 -0.150 0.000 1.215 303 R HN 0.835 nan 8.270 nan 0.000 0.427 304 N N 2.863 121.161 118.700 -0.670 0.000 2.716 304 N HA -0.225 4.515 4.740 0.000 0.000 0.250 304 N C 0.624 175.830 175.510 -0.506 0.000 1.033 304 N CA 1.872 54.664 53.050 -0.429 0.000 0.727 304 N CB -0.994 37.438 38.487 -0.092 0.000 0.950 304 N HN 1.113 nan 8.380 nan 0.000 0.541 305 G N -0.721 107.421 108.800 -1.096 0.000 2.253 305 G HA2 -0.349 3.611 3.960 0.000 0.000 0.251 305 G HA3 -0.349 3.611 3.960 0.000 0.000 0.251 305 G C -0.171 174.447 174.900 -0.470 0.000 0.998 305 G CA 0.680 45.460 45.100 -0.533 0.000 0.621 305 G HN 0.838 nan 8.290 nan 0.000 0.524 306 E N 0.891 120.765 120.200 -0.543 0.000 2.216 306 E HA 0.686 5.036 4.350 0.000 0.000 0.279 306 E C -0.111 176.373 176.600 -0.193 0.000 0.997 306 E CA -1.071 55.184 56.400 -0.242 0.000 0.817 306 E CB 1.033 30.656 29.700 -0.129 0.000 1.096 306 E HN 0.060 nan 8.360 nan 0.000 0.393 307 M N 3.142 122.773 119.600 0.053 0.000 2.129 307 M HA 0.295 4.775 4.480 0.000 0.000 0.348 307 M C -0.710 175.781 176.300 0.318 0.000 1.116 307 M CA -0.382 55.053 55.300 0.225 0.000 1.022 307 M CB 1.209 33.923 32.600 0.190 0.000 1.599 307 M HN 0.579 nan 8.290 nan 0.000 0.449 308 K N 3.516 124.126 120.400 0.350 0.000 2.358 308 K HA 0.454 4.774 4.320 0.000 0.000 0.260 308 K C -0.782 175.969 176.600 0.252 0.000 0.956 308 K CA -0.369 56.092 56.287 0.290 0.000 0.834 308 K CB 2.095 34.684 32.500 0.149 0.000 1.102 308 K HN 0.670 nan 8.250 nan 0.000 0.431 309 M N 5.595 125.241 119.600 0.077 0.000 2.135 309 M HA 0.036 4.516 4.480 0.000 0.000 0.345 309 M C 0.807 176.916 176.300 -0.319 0.000 1.340 309 M CA -0.235 54.717 55.300 -0.580 0.000 1.162 309 M CB 0.742 32.636 32.600 -1.177 0.000 1.570 309 M HN 0.589 nan 8.290 nan 0.000 0.454 310 V N 2.369 122.132 119.914 -0.251 0.000 3.235 310 V HA 0.308 4.428 4.120 0.000 0.000 0.259 310 V C 0.284 176.283 176.094 -0.158 0.000 1.133 310 V CA 0.589 62.807 62.300 -0.137 0.000 1.128 310 V CB -0.416 31.365 31.823 -0.069 0.000 0.757 310 V HN 0.840 nan 8.190 nan 0.000 0.469 311 N N -0.843 117.717 118.700 -0.234 0.000 2.504 311 N HA 0.457 5.197 4.740 0.000 0.000 0.268 311 N C -2.226 173.157 175.510 -0.211 0.000 1.184 311 N CA -0.303 52.637 53.050 -0.184 0.000 0.875 311 N CB 2.784 41.185 38.487 -0.143 0.000 1.630 311 N HN 0.337 nan 8.380 nan 0.000 0.486 312 Y N 1.258 121.395 120.300 -0.271 0.000 2.513 312 Y HA 0.422 4.973 4.550 0.001 0.000 0.340 312 Y C -1.428 174.369 175.900 -0.171 0.000 1.055 312 Y CA -0.374 57.567 58.100 -0.266 0.000 1.020 312 Y CB 1.504 39.751 38.460 -0.354 0.000 1.301 312 Y HN 0.587 nan 8.280 nan 0.000 0.453 313 Q N 4.977 124.147 119.800 -1.050 0.000 2.647 313 Q HA 0.507 4.847 4.340 0.000 0.000 0.283 313 Q C -2.435 173.149 176.000 -0.693 0.000 0.943 313 Q CA -1.100 54.349 55.803 -0.589 0.000 0.813 313 Q CB 1.969 30.531 28.738 -0.293 0.000 1.477 313 Q HN 0.743 nan 8.270 nan 0.000 0.393 314 L N 2.501 123.511 121.223 -0.354 0.000 2.272 314 L HA 0.528 4.868 4.340 0.000 0.000 0.289 314 L C -0.527 176.315 176.870 -0.045 0.000 1.032 314 L CA -0.819 53.856 54.840 -0.275 0.000 0.810 314 L CB 1.159 42.927 42.059 -0.485 0.000 1.205 314 L HN 0.568 nan 8.230 nan 0.000 0.422 315 I N 5.569 126.137 120.570 -0.004 0.000 2.312 315 I HA 0.248 4.419 4.170 0.000 0.000 0.291 315 I C -2.085 174.128 176.117 0.159 0.000 1.031 315 I CA -1.940 59.387 61.300 0.045 0.000 1.293 315 I CB 1.098 39.081 38.000 -0.028 0.000 1.403 315 I HN 0.278 nan 8.210 nan 0.000 0.484 316 P HA 0.046 nan 4.420 nan 0.000 0.271 316 P C -0.465 176.828 177.300 -0.012 0.000 1.216 316 P CA -0.160 62.953 63.100 0.022 0.000 0.776 316 P CB 0.715 32.407 31.700 -0.012 0.000 0.881 317 V N 4.514 124.398 119.914 -0.051 0.000 2.240 317 V HA 0.144 4.264 4.120 0.000 0.000 0.265 317 V C 0.321 176.423 176.094 0.014 0.000 1.073 317 V CA -0.392 61.911 62.300 0.005 0.000 0.857 317 V CB -0.910 30.937 31.823 0.040 0.000 1.114 317 V HN 0.661 nan 8.190 nan 0.000 0.469 318 N N 2.299 121.004 118.700 0.009 0.000 2.727 318 N HA -0.178 4.562 4.740 0.000 0.000 0.249 318 N C -0.147 175.376 175.510 0.021 0.000 1.048 318 N CA 0.692 53.746 53.050 0.006 0.000 0.714 318 N CB -0.842 37.627 38.487 -0.030 0.000 0.959 318 N HN 0.580 nan 8.380 nan 0.000 0.544 319 L N -0.185 121.075 121.223 0.061 0.000 2.453 319 L HA 0.267 4.607 4.340 0.000 0.000 0.261 319 L C 0.930 177.938 176.870 0.231 0.000 1.179 319 L CA 0.204 55.114 54.840 0.116 0.000 0.813 319 L CB 0.602 42.687 42.059 0.043 0.000 1.110 319 L HN -0.008 nan 8.230 nan 0.000 0.466 320 K N 1.501 121.999 120.400 0.163 0.000 2.477 320 K HA 0.464 4.785 4.320 0.000 0.000 0.255 320 K C -1.303 175.199 176.600 -0.165 0.000 0.952 320 K CA -1.022 55.232 56.287 -0.055 0.000 0.826 320 K CB 2.759 35.203 32.500 -0.094 0.000 1.331 320 K HN 0.460 nan 8.250 nan 0.000 0.437 321 K N 0.724 120.814 120.400 -0.517 0.000 2.238 321 K HA 0.481 4.801 4.320 0.000 0.000 0.239 321 K C -0.924 175.496 176.600 -0.301 0.000 0.987 321 K CA -1.045 54.990 56.287 -0.420 0.000 0.857 321 K CB 1.596 33.697 32.500 -0.664 0.000 1.154 321 K HN 0.185 nan 8.250 nan 0.000 0.439 322 K N 1.300 121.562 120.400 -0.229 0.000 2.183 322 K HA 0.244 4.564 4.320 0.000 0.000 0.274 322 K C -0.941 175.526 176.600 -0.222 0.000 1.009 322 K CA -0.682 55.481 56.287 -0.207 0.000 0.888 322 K CB 1.375 33.773 32.500 -0.170 0.000 1.078 322 K HN 0.606 nan 8.250 nan 0.000 0.459 323 V N 0.139 119.903 119.914 -0.249 0.000 2.769 323 V HA 0.720 4.840 4.120 0.000 0.000 0.312 323 V C -0.740 175.120 176.094 -0.391 0.000 1.061 323 V CA -0.544 61.543 62.300 -0.356 0.000 0.931 323 V CB 1.981 33.515 31.823 -0.482 0.000 1.010 323 V HN 0.709 nan 8.190 nan 0.000 0.433 324 T N 3.802 118.101 114.554 -0.424 0.000 2.841 324 T HA 0.535 4.885 4.350 0.000 0.000 0.285 324 T C -0.777 173.709 174.700 -0.357 0.000 0.991 324 T CA -0.071 61.847 62.100 -0.303 0.000 0.966 324 T CB 0.924 69.709 68.868 -0.139 0.000 0.962 324 T HN 0.778 nan 8.240 nan 0.000 0.438 325 W N 1.721 123.005 121.300 -0.027 0.000 2.141 325 W HA 0.303 4.963 4.660 0.000 0.000 0.354 325 W C 1.916 178.424 176.519 -0.018 0.000 1.297 325 W CA -0.824 56.507 57.345 -0.023 0.000 1.380 325 W CB 0.509 29.956 29.460 -0.021 0.000 1.168 325 W HN 0.823 nan 8.180 nan 0.000 0.639 326 E N 0.186 120.544 120.200 0.263 0.000 2.267 326 E HA -0.273 4.077 4.350 0.000 0.000 0.197 326 E C 0.971 177.635 176.600 0.106 0.000 0.998 326 E CA 1.711 58.193 56.400 0.135 0.000 0.830 326 E CB -0.357 29.412 29.700 0.114 0.000 0.751 326 E HN 0.576 nan 8.360 nan 0.000 0.491 327 D N -0.452 120.026 120.400 0.130 0.000 2.339 327 D HA 0.072 4.712 4.640 0.000 0.000 0.217 327 D C 1.362 177.711 176.300 0.081 0.000 1.050 327 D CA 0.614 54.662 54.000 0.080 0.000 0.856 327 D CB 0.503 41.334 40.800 0.052 0.000 0.922 327 D HN 0.375 nan 8.370 nan 0.000 0.518 328 G N 0.799 109.662 108.800 0.105 0.000 2.195 328 G HA2 -0.301 3.659 3.960 0.000 0.000 0.246 328 G HA3 -0.301 3.659 3.960 0.000 0.000 0.246 328 G C 0.236 175.196 174.900 0.100 0.000 0.984 328 G CA 0.174 45.322 45.100 0.080 0.000 0.633 328 G HN 0.584 nan 8.290 nan 0.000 0.525 329 K N 1.107 121.602 120.400 0.157 0.000 2.326 329 K HA 0.537 4.858 4.320 0.000 0.000 0.275 329 K C -0.361 176.380 176.600 0.235 0.000 1.018 329 K CA 0.235 56.627 56.287 0.176 0.000 0.962 329 K CB 0.349 32.951 32.500 0.170 0.000 0.953 329 K HN 0.138 nan 8.250 nan 0.000 0.475 330 S N 2.380 118.166 115.700 0.144 0.000 2.526 330 S HA 0.311 4.781 4.470 0.000 0.000 0.293 330 S C -1.482 173.167 174.600 0.081 0.000 1.092 330 S CA -0.931 57.311 58.200 0.070 0.000 0.980 330 S CB 1.578 64.777 63.200 -0.002 0.000 1.048 330 S HN 0.707 nan 8.310 nan 0.000 0.483 331 E N 1.317 121.543 120.200 0.042 0.000 2.408 331 E HA 0.567 4.917 4.350 0.000 0.000 0.275 331 E C -1.360 175.208 176.600 -0.053 0.000 0.935 331 E CA -1.217 55.208 56.400 0.043 0.000 0.775 331 E CB 1.553 31.339 29.700 0.144 0.000 1.277 331 E HN 0.339 nan 8.360 nan 0.000 0.455 332 R N 0.861 121.322 120.500 -0.066 0.000 2.312 332 R HA 0.511 4.851 4.340 0.000 0.000 0.311 332 R C -0.877 175.358 176.300 -0.107 0.000 1.004 332 R CA -0.606 55.413 56.100 -0.134 0.000 0.902 332 R CB 1.764 31.956 30.300 -0.180 0.000 1.073 332 R HN 0.314 nan 8.270 nan 0.000 0.457 333 V N 4.896 124.707 119.914 -0.171 0.000 2.604 333 V HA 0.297 4.417 4.120 0.000 0.000 0.305 333 V C 0.166 176.128 176.094 -0.220 0.000 1.043 333 V CA -0.964 61.241 62.300 -0.159 0.000 0.888 333 V CB 1.917 33.639 31.823 -0.168 0.000 0.995 333 V HN 0.623 nan 8.190 nan 0.000 0.429 334 L N 3.338 124.484 121.223 -0.129 0.000 2.485 334 L HA 0.085 4.426 4.340 0.000 0.000 0.275 334 L C 0.761 177.566 176.870 -0.108 0.000 1.207 334 L CA 0.398 55.188 54.840 -0.083 0.000 0.855 334 L CB 0.204 42.252 42.059 -0.019 0.000 1.114 334 L HN 0.683 nan 8.230 nan 0.000 0.485 335 Y N 0.138 120.414 120.300 -0.039 0.000 2.365 335 Y HA -0.047 4.503 4.550 0.000 0.000 0.293 335 Y C 1.468 177.352 175.900 -0.027 0.000 1.119 335 Y CA 0.723 58.801 58.100 -0.037 0.000 1.203 335 Y CB 0.223 38.663 38.460 -0.033 0.000 1.026 335 Y HN 0.702 nan 8.280 nan 0.000 0.549 336 T N -3.613 111.026 114.554 0.141 0.000 2.865 336 T HA 0.491 4.842 4.350 0.000 0.000 0.294 336 T C -2.963 171.760 174.700 0.037 0.000 1.119 336 T CA -2.522 59.621 62.100 0.072 0.000 1.007 336 T CB 1.704 70.609 68.868 0.062 0.000 1.225 336 T HN -0.395 nan 8.240 nan 0.000 0.515 337 P HA 0.126 nan 4.420 nan 0.000 0.263 337 P C -0.190 177.113 177.300 0.005 0.000 1.175 337 P CA -0.010 63.094 63.100 0.008 0.000 0.761 337 P CB 0.213 31.915 31.700 0.003 0.000 0.794 338 E N 2.675 122.874 120.200 -0.001 0.000 2.465 338 E HA 0.027 4.377 4.350 0.000 0.000 0.260 338 E C -0.489 176.104 176.600 -0.011 0.000 0.980 338 E CA -0.050 56.346 56.400 -0.008 0.000 0.927 338 E CB 0.162 29.855 29.700 -0.012 0.000 0.934 338 E HN 0.330 nan 8.360 nan 0.000 0.459 339 I N 3.916 124.477 120.570 -0.015 0.000 2.321 339 I HA 0.258 4.428 4.170 0.000 0.000 0.291 339 I C 0.366 176.465 176.117 -0.029 0.000 0.998 339 I CA -0.624 60.664 61.300 -0.019 0.000 1.227 339 I CB 1.465 39.455 38.000 -0.017 0.000 1.368 339 I HN 0.537 nan 8.210 nan 0.000 0.466 340 A N 6.123 128.927 122.820 -0.027 0.000 2.407 340 A HA 0.243 4.563 4.320 0.000 0.000 0.248 340 A C 0.122 177.680 177.584 -0.042 0.000 1.082 340 A CA -0.335 51.682 52.037 -0.033 0.000 0.785 340 A CB 0.159 19.145 19.000 -0.024 0.000 1.020 340 A HN 0.736 nan 8.150 nan 0.000 0.489 341 E N 1.796 121.960 120.200 -0.059 0.000 2.290 341 E HA 0.010 4.360 4.350 0.000 0.000 0.277 341 E C -0.156 176.415 176.600 -0.047 0.000 1.035 341 E CA -0.374 55.980 56.400 -0.076 0.000 0.873 341 E CB 0.622 30.242 29.700 -0.132 0.000 1.029 341 E HN 0.675 nan 8.360 nan 0.000 0.419 342 N N 3.279 121.960 118.700 -0.032 0.000 2.447 342 N HA -0.099 4.641 4.740 0.000 0.000 0.263 342 N C 0.742 176.251 175.510 -0.002 0.000 1.226 342 N CA 0.056 53.100 53.050 -0.010 0.000 0.906 342 N CB 0.807 39.296 38.487 0.002 0.000 1.060 342 N HN 0.463 nan 8.380 nan 0.000 0.468 343 Q N 2.638 122.441 119.800 0.006 0.000 2.084 343 Q HA -0.218 4.122 4.340 0.000 0.000 0.202 343 Q C 1.560 177.581 176.000 0.035 0.000 0.978 343 Q CA 1.390 57.204 55.803 0.019 0.000 0.844 343 Q CB -0.246 28.503 28.738 0.017 0.000 0.898 343 Q HN 0.758 nan 8.270 nan 0.000 0.426 344 Q N -0.267 119.553 119.800 0.034 0.000 2.135 344 Q HA -0.187 4.153 4.340 0.000 0.000 0.204 344 Q C 1.979 178.015 176.000 0.061 0.000 0.981 344 Q CA 1.454 57.283 55.803 0.044 0.000 0.856 344 Q CB 0.036 28.797 28.738 0.038 0.000 0.902 344 Q HN 0.224 nan 8.270 nan 0.000 0.425 345 M N 0.062 119.697 119.600 0.059 0.000 2.123 345 M HA -0.119 4.361 4.480 0.000 0.000 0.263 345 M C 1.674 178.046 176.300 0.120 0.000 1.069 345 M CA 1.263 56.612 55.300 0.082 0.000 1.133 345 M CB -0.179 32.456 32.600 0.060 0.000 1.356 345 M HN 0.229 nan 8.290 nan 0.000 0.415 346 I N -0.328 120.295 120.570 0.090 0.000 2.163 346 I HA -0.273 3.897 4.170 0.000 0.000 0.243 346 I C 2.214 178.457 176.117 0.208 0.000 1.085 346 I CA 1.426 62.816 61.300 0.150 0.000 1.347 346 I CB -1.774 36.273 38.000 0.079 0.000 1.044 346 I HN 0.292 nan 8.210 nan 0.000 0.408 347 S N 0.992 116.770 115.700 0.130 0.000 2.382 347 S HA -0.170 4.300 4.470 0.000 0.000 0.228 347 S C 1.965 176.628 174.600 0.105 0.000 1.027 347 S CA 1.129 59.391 58.200 0.102 0.000 0.991 347 S CB -0.480 62.758 63.200 0.064 0.000 0.823 347 S HN 0.369 nan 8.310 nan 0.000 0.469 348 L N 1.553 122.851 121.223 0.126 0.000 2.027 348 L HA 0.068 4.408 4.340 0.000 0.000 0.206 348 L C 1.864 178.875 176.870 0.234 0.000 1.074 348 L CA 1.685 56.611 54.840 0.144 0.000 0.745 348 L CB -0.471 41.667 42.059 0.133 0.000 0.898 348 L HN 0.270 nan 8.230 nan 0.000 0.433 349 L N -1.722 119.680 121.223 0.298 0.000 2.209 349 L HA -0.035 4.305 4.340 0.000 0.000 0.207 349 L C 2.440 179.542 176.870 0.386 0.000 1.094 349 L CA 0.674 55.765 54.840 0.418 0.000 0.790 349 L CB -0.651 41.764 42.059 0.594 0.000 0.932 349 L HN 0.156 nan 8.230 nan 0.000 0.447 350 S N 0.627 116.535 115.700 0.345 0.000 2.381 350 S HA -0.167 4.303 4.470 0.000 0.000 0.230 350 S C -0.380 174.192 174.600 -0.046 0.000 1.052 350 S CA 1.972 60.250 58.200 0.131 0.000 1.068 350 S CB -1.151 62.143 63.200 0.158 0.000 0.918 350 S HN 0.278 nan 8.310 nan 0.000 0.448 351 P HA -0.078 nan 4.420 nan 0.000 0.216 351 P C 0.943 178.053 177.300 -0.317 0.000 1.153 351 P CA 1.114 64.048 63.100 -0.278 0.000 0.858 351 P CB -0.098 31.331 31.700 -0.451 0.000 0.789 352 F N -1.038 118.824 119.950 -0.146 0.000 2.206 352 F HA -0.088 4.440 4.527 0.001 0.000 0.298 352 F C 2.585 178.307 175.800 -0.130 0.000 1.090 352 F CA 1.015 58.898 58.000 -0.195 0.000 1.323 352 F CB -1.176 37.590 39.000 -0.390 0.000 1.028 352 F HN -0.117 nan 8.300 nan 0.000 0.492 353 Q N 0.721 120.553 119.800 0.053 0.000 2.167 353 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 353 Q C 1.448 177.328 176.000 -0.200 0.000 0.970 353 Q CA 1.665 57.395 55.803 -0.123 0.000 0.855 353 Q CB -0.380 27.902 28.738 -0.760 0.000 0.911 353 Q HN 0.230 nan 8.270 nan 0.000 0.438 354 N N -0.008 118.591 118.700 -0.168 0.000 2.373 354 N HA -0.010 4.730 4.740 0.000 0.000 0.181 354 N C -0.269 175.189 175.510 -0.086 0.000 1.082 354 N CA 0.104 53.072 53.050 -0.136 0.000 0.885 354 N CB 0.088 38.502 38.487 -0.123 0.000 0.977 354 N HN 0.191 nan 8.380 nan 0.000 0.462 355 K N 0.940 121.299 120.400 -0.069 0.000 2.472 355 K HA 0.075 4.395 4.320 0.000 0.000 0.280 355 K C 0.919 177.506 176.600 -0.022 0.000 1.028 355 K CA 0.713 56.973 56.287 -0.045 0.000 1.045 355 K CB 0.044 32.527 32.500 -0.029 0.000 0.902 355 K HN 0.223 nan 8.250 nan 0.000 0.478 356 G N 3.753 112.544 108.800 -0.016 0.000 2.269 356 G HA2 -0.390 3.570 3.960 0.000 0.000 0.277 356 G HA3 -0.390 3.570 3.960 0.000 0.000 0.277 356 G C 0.772 175.670 174.900 -0.003 0.000 1.008 356 G CA 1.004 46.105 45.100 0.002 0.000 0.774 356 G HN 0.875 nan 8.290 nan 0.000 0.511 357 K N 0.008 120.391 120.400 -0.029 0.000 2.160 357 K HA 0.041 4.361 4.320 0.000 0.000 0.206 357 K C 2.844 179.432 176.600 -0.021 0.000 1.047 357 K CA 1.959 58.221 56.287 -0.042 0.000 0.930 357 K CB -0.397 32.060 32.500 -0.072 0.000 0.720 357 K HN 0.709 nan 8.250 nan 0.000 0.450 358 A N 0.978 123.791 122.820 -0.012 0.000 1.877 358 A HA -0.181 4.139 4.320 0.000 0.000 0.216 358 A C 2.028 179.623 177.584 0.019 0.000 1.186 358 A CA 1.373 53.409 52.037 -0.002 0.000 0.620 358 A CB -0.461 18.536 19.000 -0.005 0.000 0.822 358 A HN 0.383 nan 8.150 nan 0.000 0.443 359 Q N -0.318 119.505 119.800 0.037 0.000 2.224 359 Q HA -0.015 4.325 4.340 0.000 0.000 0.203 359 Q C 2.068 178.161 176.000 0.154 0.000 0.970 359 Q CA 0.974 56.825 55.803 0.079 0.000 0.865 359 Q CB -0.414 28.381 28.738 0.096 0.000 0.922 359 Q HN 0.732 nan 8.270 nan 0.000 0.445 360 L N 0.317 121.599 121.223 0.100 0.000 2.127 360 L HA -0.081 4.259 4.340 0.000 0.000 0.203 360 L C 1.684 178.587 176.870 0.055 0.000 1.080 360 L CA 0.914 55.800 54.840 0.076 0.000 0.768 360 L CB -0.130 41.918 42.059 -0.018 0.000 0.924 360 L HN 0.190 nan 8.230 nan 0.000 0.444 361 E N -0.317 119.896 120.200 0.023 0.000 2.479 361 E HA 0.029 4.379 4.350 0.000 0.000 0.193 361 E C 0.379 176.991 176.600 0.020 0.000 1.049 361 E CA -0.149 56.255 56.400 0.007 0.000 0.870 361 E CB 0.589 30.278 29.700 -0.019 0.000 0.944 361 E HN 0.122 nan 8.360 nan 0.000 0.492 362 V N 2.581 122.517 119.914 0.037 0.000 2.572 362 V HA -0.016 4.105 4.120 0.000 0.000 0.291 362 V C 0.233 176.345 176.094 0.029 0.000 1.039 362 V CA -0.183 62.132 62.300 0.024 0.000 1.055 362 V CB 0.731 32.564 31.823 0.016 0.000 0.969 362 V HN 0.072 nan 8.190 nan 0.000 0.482 363 K N 6.177 126.586 120.400 0.016 0.000 2.447 363 K HA 0.144 4.464 4.320 0.000 0.000 0.281 363 K C 0.760 177.367 176.600 0.011 0.000 1.031 363 K CA 0.222 56.518 56.287 0.016 0.000 1.019 363 K CB 0.375 32.881 32.500 0.009 0.000 0.918 363 K HN 0.808 nan 8.250 nan 0.000 0.476 364 I N 0.473 121.054 120.570 0.018 0.000 4.154 364 I HA 0.423 4.593 4.170 0.000 0.000 0.334 364 I C 0.481 176.600 176.117 0.003 0.000 1.371 364 I CA -0.392 60.910 61.300 0.003 0.000 1.110 364 I CB 0.791 38.795 38.000 0.006 0.000 1.085 364 I HN 0.728 nan 8.210 nan 0.000 0.398 365 G N 1.739 110.546 108.800 0.012 0.000 2.327 365 G HA2 0.339 4.299 3.960 0.000 0.000 0.291 365 G HA3 0.339 4.299 3.960 0.000 0.000 0.291 365 G C -1.950 172.963 174.900 0.021 0.000 1.290 365 G CA -0.222 44.886 45.100 0.012 0.000 0.857 365 G HN 0.478 nan 8.290 nan 0.000 0.520 366 E N -1.911 118.305 120.200 0.027 0.000 2.449 366 E HA 0.704 5.054 4.350 0.000 0.000 0.278 366 E C -1.504 175.122 176.600 0.044 0.000 0.992 366 E CA -0.853 55.566 56.400 0.032 0.000 0.807 366 E CB 2.261 31.978 29.700 0.027 0.000 1.350 366 E HN 0.703 nan 8.360 nan 0.000 0.462 367 T N -0.077 114.505 114.554 0.047 0.000 2.912 367 T HA 0.189 4.539 4.350 0.000 0.000 0.299 367 T C 0.344 175.080 174.700 0.061 0.000 1.052 367 T CA -0.432 61.706 62.100 0.062 0.000 0.996 367 T CB 1.540 70.445 68.868 0.062 0.000 1.070 367 T HN 0.630 nan 8.240 nan 0.000 0.465 368 N N 2.881 121.626 118.700 0.074 0.000 2.094 368 N HA 0.102 4.842 4.740 0.000 0.000 0.191 368 N C 0.713 176.260 175.510 0.062 0.000 1.023 368 N CA 2.143 55.233 53.050 0.067 0.000 0.857 368 N CB -0.169 38.366 38.487 0.080 0.000 1.013 368 N HN 0.884 nan 8.380 nan 0.000 0.426 369 G N -1.783 107.060 108.800 0.070 0.000 2.663 369 G HA2 0.377 4.337 3.960 0.000 0.000 0.299 369 G HA3 0.377 4.337 3.960 0.000 0.000 0.299 369 G C -1.492 173.446 174.900 0.064 0.000 1.372 369 G CA -0.963 44.175 45.100 0.063 0.000 0.781 369 G HN 0.308 nan 8.290 nan 0.000 0.491 370 R N -0.519 120.016 120.500 0.059 0.000 2.585 370 R HA 0.281 4.621 4.340 0.000 0.000 0.275 370 R C -0.521 175.817 176.300 0.062 0.000 1.018 370 R CA 0.068 56.203 56.100 0.057 0.000 1.072 370 R CB 0.041 30.374 30.300 0.054 0.000 0.953 370 R HN 0.299 nan 8.270 nan 0.000 0.419 371 L N 4.121 125.376 121.223 0.054 0.000 2.277 371 L HA 0.211 4.551 4.340 0.000 0.000 0.284 371 L C -0.238 176.665 176.870 0.055 0.000 1.028 371 L CA -0.646 54.224 54.840 0.050 0.000 0.835 371 L CB 1.481 43.554 42.059 0.024 0.000 1.215 371 L HN 0.629 nan 8.230 nan 0.000 0.425 372 E N 2.290 122.531 120.200 0.068 0.000 2.161 372 E HA 0.127 4.478 4.350 0.000 0.000 0.263 372 E C 0.863 177.510 176.600 0.080 0.000 1.185 372 E CA 0.179 56.623 56.400 0.074 0.000 0.938 372 E CB 0.742 30.491 29.700 0.083 0.000 1.023 372 E HN 0.613 nan 8.360 nan 0.000 0.433 373 G N 3.711 112.556 108.800 0.074 0.000 3.377 373 G HA2 0.018 3.979 3.960 0.000 0.000 0.257 373 G HA3 0.018 3.979 3.960 0.000 0.000 0.257 373 G C -0.316 174.639 174.900 0.091 0.000 1.038 373 G CA -0.498 44.650 45.100 0.080 0.000 0.809 373 G HN 0.417 nan 8.290 nan 0.000 0.526 374 D N 0.494 120.947 120.400 0.088 0.000 2.488 374 D HA 0.056 4.696 4.640 0.000 0.000 0.238 374 D C 1.559 177.926 176.300 0.112 0.000 1.138 374 D CA -0.089 53.965 54.000 0.091 0.000 0.873 374 D CB 1.110 41.953 40.800 0.071 0.000 1.183 374 D HN 0.075 nan 8.370 nan 0.000 0.458 375 R N 2.066 122.638 120.500 0.120 0.000 2.103 375 R HA -0.187 4.153 4.340 0.000 0.000 0.242 375 R C 1.170 177.596 176.300 0.210 0.000 1.142 375 R CA 1.727 57.918 56.100 0.152 0.000 0.960 375 R CB -0.019 30.364 30.300 0.139 0.000 0.858 375 R HN 0.606 nan 8.270 nan 0.000 0.439 376 D N -0.514 119.974 120.400 0.147 0.000 2.392 376 D HA -0.136 4.504 4.640 0.000 0.000 0.228 376 D C 0.820 177.140 176.300 0.034 0.000 1.003 376 D CA 0.792 54.829 54.000 0.062 0.000 0.917 376 D CB 0.195 40.932 40.800 -0.106 0.000 0.890 376 D HN 0.200 nan 8.370 nan 0.000 0.532 377 K N 0.306 120.789 120.400 0.138 0.000 2.353 377 K HA 0.050 4.370 4.320 0.000 0.000 0.206 377 K C 2.329 179.049 176.600 0.200 0.000 1.191 377 K CA 0.904 57.271 56.287 0.133 0.000 0.897 377 K CB -0.333 32.221 32.500 0.091 0.000 1.283 377 K HN 0.169 nan 8.250 nan 0.000 0.477 378 V N 0.086 120.117 119.914 0.195 0.000 2.913 378 V HA -0.013 4.107 4.120 0.000 0.000 0.260 378 V C 1.502 177.744 176.094 0.247 0.000 1.098 378 V CA 1.214 63.645 62.300 0.219 0.000 1.121 378 V CB -0.666 31.265 31.823 0.181 0.000 0.714 378 V HN 0.137 nan 8.190 nan 0.000 0.487 379 R N -1.663 118.935 120.500 0.163 0.000 2.393 379 R HA 0.396 4.736 4.340 0.000 0.000 0.244 379 R C 0.877 176.738 176.300 -0.732 0.000 0.920 379 R CA 0.316 56.369 56.100 -0.079 0.000 1.076 379 R CB 0.152 30.396 30.300 -0.093 0.000 1.119 379 R HN 0.592 nan 8.270 nan 0.000 0.524 380 F N -0.924 118.669 119.950 -0.596 0.000 2.754 380 F HA 0.129 4.656 4.527 0.000 0.000 0.316 380 F C 0.572 175.940 175.800 -0.721 0.000 0.959 380 F CA -0.450 57.106 58.000 -0.740 0.000 1.148 380 F CB 0.876 39.691 39.000 -0.308 0.000 0.951 380 F HN -0.267 nan 8.300 nan 0.000 0.625 381 V N -2.560 117.304 119.914 -0.083 0.000 3.206 381 V HA 0.548 4.669 4.120 0.000 0.000 0.305 381 V C -0.979 175.376 176.094 0.435 0.000 1.257 381 V CA -1.186 61.252 62.300 0.231 0.000 1.057 381 V CB 1.498 33.433 31.823 0.188 0.000 1.075 381 V HN -0.156 nan 8.190 nan 0.000 0.443 382 Q N 2.086 122.154 119.800 0.447 0.000 2.332 382 Q HA 0.509 4.849 4.340 0.000 0.000 0.263 382 Q C 0.264 176.418 176.000 0.256 0.000 0.979 382 Q CA 0.506 56.531 55.803 0.369 0.000 0.885 382 Q CB 1.219 30.153 28.738 0.327 0.000 1.218 382 Q HN 1.164 nan 8.270 nan 0.000 0.405 383 T N -1.685 113.002 114.554 0.221 0.000 2.916 383 T HA 0.305 4.655 4.350 0.000 0.000 0.292 383 T C 0.907 175.700 174.700 0.154 0.000 1.064 383 T CA -0.745 61.457 62.100 0.170 0.000 1.011 383 T CB 0.808 69.766 68.868 0.150 0.000 1.152 383 T HN 0.471 nan 8.240 nan 0.000 0.510 384 N N 0.993 119.778 118.700 0.141 0.000 2.289 384 N HA -0.117 4.624 4.740 0.000 0.000 0.184 384 N C 1.570 177.132 175.510 0.086 0.000 1.016 384 N CA 1.194 54.335 53.050 0.152 0.000 0.872 384 N CB -0.769 37.820 38.487 0.171 0.000 0.973 384 N HN 0.554 nan 8.380 nan 0.000 0.433 385 M N 0.913 120.553 119.600 0.067 0.000 2.117 385 M HA 0.145 4.625 4.480 0.000 0.000 0.262 385 M C 1.975 178.291 176.300 0.027 0.000 1.065 385 M CA 1.682 56.997 55.300 0.026 0.000 1.114 385 M CB -1.007 31.621 32.600 0.047 0.000 1.361 385 M HN 0.223 nan 8.290 nan 0.000 0.408 386 G N 0.089 108.936 108.800 0.077 0.000 2.440 386 G HA2 -0.219 3.741 3.960 0.000 0.000 0.218 386 G HA3 -0.219 3.741 3.960 0.000 0.000 0.218 386 G C 1.677 176.623 174.900 0.076 0.000 1.154 386 G CA 0.694 45.844 45.100 0.084 0.000 0.767 386 G HN 0.360 nan 8.290 nan 0.000 0.552 387 R N -0.256 120.310 120.500 0.110 0.000 2.081 387 R HA 0.022 4.362 4.340 0.000 0.000 0.235 387 R C 2.490 178.837 176.300 0.077 0.000 1.131 387 R CA 0.903 57.095 56.100 0.153 0.000 0.960 387 R CB -1.194 29.258 30.300 0.253 0.000 0.856 387 R HN 0.451 nan 8.270 nan 0.000 0.436 388 L N 1.092 122.249 121.223 -0.110 0.000 1.976 388 L HA -0.106 4.234 4.340 0.000 0.000 0.209 388 L C 2.201 178.899 176.870 -0.287 0.000 1.071 388 L CA 1.623 56.203 54.840 -0.432 0.000 0.746 388 L CB -0.622 41.123 42.059 -0.524 0.000 0.890 388 L HN 0.044 nan 8.230 nan 0.000 0.432 389 I N -0.735 119.743 120.570 -0.153 0.000 2.151 389 I HA -0.362 3.808 4.170 0.000 0.000 0.243 389 I C 2.416 178.465 176.117 -0.114 0.000 1.080 389 I CA 1.683 62.917 61.300 -0.110 0.000 1.339 389 I CB -0.398 37.584 38.000 -0.029 0.000 1.039 389 I HN 0.298 nan 8.210 nan 0.000 0.409 390 L N 0.171 121.361 121.223 -0.054 0.000 2.141 390 L HA -0.155 4.185 4.340 0.000 0.000 0.209 390 L C 2.827 179.658 176.870 -0.066 0.000 1.094 390 L CA 0.987 55.815 54.840 -0.019 0.000 0.763 390 L CB -0.756 41.336 42.059 0.055 0.000 0.908 390 L HN 0.252 nan 8.230 nan 0.000 0.437 391 A N 0.427 123.176 122.820 -0.120 0.000 1.902 391 A HA -0.194 4.126 4.320 0.000 0.000 0.217 391 A C 2.561 179.864 177.584 -0.468 0.000 1.181 391 A CA 1.820 53.755 52.037 -0.170 0.000 0.623 391 A CB -0.647 18.319 19.000 -0.056 0.000 0.818 391 A HN 0.391 nan 8.150 nan 0.000 0.443 392 A N -0.971 121.382 122.820 -0.778 0.000 1.933 392 A HA -0.194 4.127 4.320 0.000 0.000 0.218 392 A C 2.124 179.599 177.584 -0.181 0.000 1.175 392 A CA 1.685 53.301 52.037 -0.702 0.000 0.628 392 A CB -0.490 18.227 19.000 -0.471 0.000 0.814 392 A HN 0.661 nan 8.150 nan 0.000 0.444 393 Q N -1.132 118.601 119.800 -0.112 0.000 2.123 393 Q HA 0.000 4.341 4.340 0.000 0.000 0.199 393 Q C 2.173 178.183 176.000 0.016 0.000 0.966 393 Q CA 1.375 57.174 55.803 -0.007 0.000 0.845 393 Q CB -0.194 28.554 28.738 0.016 0.000 0.907 393 Q HN 0.692 nan 8.270 nan 0.000 0.439 394 M N 0.162 119.761 119.600 -0.002 0.000 2.175 394 M HA -0.169 4.312 4.480 0.000 0.000 0.264 394 M C 1.533 177.855 176.300 0.037 0.000 1.063 394 M CA 1.357 56.672 55.300 0.024 0.000 1.119 394 M CB -0.182 32.444 32.600 0.044 0.000 1.377 394 M HN 0.165 nan 8.290 nan 0.000 0.415 395 D N 0.231 120.663 120.400 0.053 0.000 2.144 395 D HA -0.185 4.455 4.640 0.000 0.000 0.200 395 D C 2.006 178.350 176.300 0.075 0.000 0.978 395 D CA 1.125 55.190 54.000 0.108 0.000 0.833 395 D CB 0.134 41.088 40.800 0.257 0.000 0.961 395 D HN 0.023 nan 8.370 nan 0.000 0.470 396 R N -0.348 120.187 120.500 0.059 0.000 2.119 396 R HA -0.003 4.337 4.340 0.000 0.000 0.222 396 R C 1.955 178.296 176.300 0.068 0.000 1.088 396 R CA 2.095 58.213 56.100 0.030 0.000 0.984 396 R CB -0.863 29.441 30.300 0.006 0.000 0.884 396 R HN 0.304 nan 8.270 nan 0.000 0.447 397 T N -4.013 110.584 114.554 0.073 0.000 3.060 397 T HA 0.238 4.588 4.350 0.000 0.000 0.249 397 T C 1.198 175.815 174.700 -0.137 0.000 1.079 397 T CA 0.251 62.370 62.100 0.031 0.000 1.013 397 T CB 0.194 69.132 68.868 0.117 0.000 0.975 397 T HN 0.351 nan 8.240 nan 0.000 0.518 398 G N 1.592 110.358 108.800 -0.058 0.000 2.221 398 G HA2 -0.020 3.940 3.960 0.000 0.000 0.265 398 G HA3 -0.020 3.940 3.960 0.000 0.000 0.265 398 G C 0.290 175.141 174.900 -0.082 0.000 1.041 398 G CA 0.016 45.078 45.100 -0.064 0.000 0.807 398 G HN 1.151 nan 8.290 nan 0.000 0.502 399 A N -0.765 122.019 122.820 -0.060 0.000 2.313 399 A HA 0.627 4.947 4.320 0.000 0.000 0.261 399 A C 1.207 178.835 177.584 0.072 0.000 1.090 399 A CA 0.512 52.531 52.037 -0.030 0.000 0.807 399 A CB 0.482 19.453 19.000 -0.047 0.000 1.055 399 A HN 0.185 nan 8.150 nan 0.000 0.492 400 D N -0.992 119.515 120.400 0.178 0.000 2.240 400 D HA 0.177 4.817 4.640 0.000 0.000 0.206 400 D C 0.063 176.612 176.300 0.414 0.000 0.963 400 D CA 1.415 55.598 54.000 0.305 0.000 0.863 400 D CB 0.091 41.157 40.800 0.443 0.000 0.973 400 D HN 0.512 nan 8.370 nan 0.000 0.501 401 F N -0.512 119.509 119.950 0.118 0.000 2.789 401 F HA 0.745 5.272 4.527 0.000 0.000 0.319 401 F C -1.612 174.276 175.800 0.147 0.000 1.168 401 F CA -1.749 56.329 58.000 0.131 0.000 0.934 401 F CB 1.191 40.272 39.000 0.135 0.000 1.375 401 F HN -0.138 nan 8.300 nan 0.000 0.480 402 A N 0.328 123.225 122.820 0.129 0.000 2.586 402 A HA 0.875 5.195 4.320 0.000 0.000 0.290 402 A C -1.548 176.151 177.584 0.192 0.000 1.086 402 A CA -0.214 51.829 52.037 0.011 0.000 0.665 402 A CB 1.256 20.278 19.000 0.037 0.000 1.279 402 A HN 2.343 nan 8.150 nan 0.000 0.423 403 V N -1.971 118.026 119.914 0.138 0.000 3.178 403 V HA 0.951 5.071 4.120 0.000 0.000 0.302 403 V C -0.739 175.399 176.094 0.074 0.000 1.262 403 V CA -0.287 62.088 62.300 0.125 0.000 1.030 403 V CB 1.531 33.486 31.823 0.220 0.000 1.074 403 V HN 2.199 nan 8.190 nan 0.000 0.438 404 M N 0.789 120.396 119.600 0.011 0.000 2.682 404 M HA 0.751 5.231 4.480 0.000 0.000 0.272 404 M C -1.051 175.220 176.300 -0.048 0.000 1.232 404 M CA -0.410 54.876 55.300 -0.023 0.000 0.849 404 M CB 2.008 34.614 32.600 0.010 0.000 1.695 404 M HN 0.542 nan 8.290 nan 0.000 0.481 405 S N 0.802 116.450 115.700 -0.086 0.000 2.565 405 S HA 0.409 4.880 4.470 0.000 0.000 0.274 405 S C 1.148 175.780 174.600 0.053 0.000 1.309 405 S CA -0.033 58.163 58.200 -0.006 0.000 1.043 405 S CB 1.337 64.530 63.200 -0.012 0.000 0.939 405 S HN 0.919 nan 8.310 nan 0.000 0.504 406 G N 2.059 110.930 108.800 0.118 0.000 2.432 406 G HA2 -0.086 3.875 3.960 0.000 0.000 0.219 406 G HA3 -0.086 3.875 3.960 0.000 0.000 0.219 406 G C 1.364 176.344 174.900 0.134 0.000 1.135 406 G CA 0.561 45.760 45.100 0.165 0.000 0.767 406 G HN 0.803 nan 8.290 nan 0.000 0.550 407 G N 0.507 109.374 108.800 0.112 0.000 2.535 407 G HA2 0.124 4.084 3.960 0.000 0.000 0.218 407 G HA3 0.124 4.084 3.960 0.000 0.000 0.218 407 G C 1.491 176.457 174.900 0.110 0.000 1.122 407 G CA 1.063 46.224 45.100 0.102 0.000 0.769 407 G HN 0.564 nan 8.290 nan 0.000 0.549 408 G N -0.093 108.748 108.800 0.069 0.000 2.880 408 G HA2 0.252 4.212 3.960 0.000 0.000 0.209 408 G HA3 0.252 4.212 3.960 0.000 0.000 0.209 408 G C 0.469 175.476 174.900 0.179 0.000 1.157 408 G CA -0.328 44.843 45.100 0.119 0.000 0.779 408 G HN 0.400 nan 8.290 nan 0.000 0.539 409 I N 1.054 121.704 120.570 0.135 0.000 2.307 409 I HA 0.330 4.500 4.170 0.000 0.000 0.289 409 I C 0.704 176.880 176.117 0.097 0.000 1.021 409 I CA -0.655 60.706 61.300 0.101 0.000 1.224 409 I CB 1.703 39.760 38.000 0.095 0.000 1.376 409 I HN -0.073 nan 8.210 nan 0.000 0.470 410 R N 3.067 123.597 120.500 0.050 0.000 2.397 410 R HA 0.295 4.636 4.340 0.000 0.000 0.241 410 R C -0.374 175.936 176.300 0.018 0.000 0.914 410 R CA 0.068 56.181 56.100 0.022 0.000 1.071 410 R CB 0.195 30.449 30.300 -0.077 0.000 1.116 410 R HN 0.613 nan 8.270 nan 0.000 0.524 411 D N -1.163 119.252 120.400 0.025 0.000 2.725 411 D HA 0.226 4.867 4.640 0.000 0.000 0.292 411 D C -1.085 175.238 176.300 0.038 0.000 1.288 411 D CA -0.215 53.805 54.000 0.032 0.000 0.784 411 D CB 1.772 42.570 40.800 -0.004 0.000 1.308 411 D HN -0.228 nan 8.370 nan 0.000 0.429 412 S N -0.164 115.563 115.700 0.045 0.000 2.718 412 S HA 0.720 5.190 4.470 0.000 0.000 0.300 412 S C -0.166 174.455 174.600 0.033 0.000 1.117 412 S CA -0.575 57.652 58.200 0.045 0.000 1.002 412 S CB 1.114 64.348 63.200 0.057 0.000 1.092 412 S HN 0.299 nan 8.310 nan 0.000 0.542 413 I N 2.068 122.658 120.570 0.033 0.000 2.411 413 I HA 0.257 4.427 4.170 0.000 0.000 0.284 413 I C -0.067 176.072 176.117 0.037 0.000 1.012 413 I CA -0.543 60.774 61.300 0.028 0.000 1.119 413 I CB 1.335 39.349 38.000 0.022 0.000 1.261 413 I HN 0.459 nan 8.210 nan 0.000 0.448 414 E N 3.985 124.208 120.200 0.038 0.000 2.422 414 E HA 0.212 4.562 4.350 0.000 0.000 0.260 414 E C 0.127 176.752 176.600 0.041 0.000 1.108 414 E CA -0.164 56.262 56.400 0.043 0.000 0.943 414 E CB 0.873 30.600 29.700 0.045 0.000 0.961 414 E HN 0.630 nan 8.360 nan 0.000 0.443 415 A N 1.003 123.849 122.820 0.044 0.000 2.511 415 A HA 0.459 4.779 4.320 0.000 0.000 0.242 415 A C 0.856 178.463 177.584 0.038 0.000 1.069 415 A CA 0.954 53.017 52.037 0.044 0.000 0.763 415 A CB -0.198 18.828 19.000 0.044 0.000 1.001 415 A HN 0.688 nan 8.150 nan 0.000 0.498 416 G N 1.742 110.564 108.800 0.037 0.000 2.295 416 G HA2 0.028 3.988 3.960 0.000 0.000 0.195 416 G HA3 0.028 3.988 3.960 0.000 0.000 0.195 416 G C -1.013 173.904 174.900 0.029 0.000 1.269 416 G CA -0.234 44.885 45.100 0.032 0.000 1.170 416 G HN 0.786 nan 8.290 nan 0.000 0.511 417 D N 0.781 121.195 120.400 0.024 0.000 2.382 417 D HA 0.487 5.127 4.640 0.000 0.000 0.245 417 D C 0.397 176.711 176.300 0.023 0.000 1.120 417 D CA 0.555 54.568 54.000 0.022 0.000 0.890 417 D CB 1.053 41.862 40.800 0.016 0.000 1.201 417 D HN 0.468 nan 8.370 nan 0.000 0.433 418 I N 1.495 122.081 120.570 0.027 0.000 2.378 418 I HA 0.115 4.285 4.170 0.000 0.000 0.291 418 I C 0.656 176.798 176.117 0.041 0.000 0.992 418 I CA -0.595 60.724 61.300 0.033 0.000 1.154 418 I CB 1.487 39.511 38.000 0.040 0.000 1.315 418 I HN 0.230 nan 8.210 nan 0.000 0.448 419 S N 4.799 120.524 115.700 0.042 0.000 2.722 419 S HA 0.267 4.737 4.470 0.000 0.000 0.292 419 S C 0.659 175.333 174.600 0.122 0.000 1.135 419 S CA -0.512 57.725 58.200 0.061 0.000 1.003 419 S CB 1.360 64.578 63.200 0.029 0.000 1.067 419 S HN 0.609 nan 8.310 nan 0.000 0.546 420 Y N 1.213 121.503 120.300 -0.017 0.000 2.352 420 Y HA 0.038 4.588 4.550 0.000 0.000 0.292 420 Y C 2.241 178.126 175.900 -0.025 0.000 1.136 420 Y CA 1.409 59.500 58.100 -0.015 0.000 1.227 420 Y CB -0.517 37.936 38.460 -0.012 0.000 0.991 420 Y HN 0.877 nan 8.280 nan 0.000 0.545 421 K N 0.329 120.698 120.400 -0.052 0.000 2.103 421 K HA -0.228 4.092 4.320 0.000 0.000 0.207 421 K C 1.761 178.272 176.600 -0.148 0.000 1.048 421 K CA 1.848 58.038 56.287 -0.162 0.000 0.930 421 K CB -0.261 32.176 32.500 -0.105 0.000 0.716 421 K HN 0.516 nan 8.250 nan 0.000 0.444 422 N N -0.297 118.362 118.700 -0.068 0.000 2.104 422 N HA -0.165 4.575 4.740 0.000 0.000 0.190 422 N C 1.714 177.190 175.510 -0.057 0.000 1.024 422 N CA 1.226 54.246 53.050 -0.049 0.000 0.853 422 N CB 0.032 38.516 38.487 -0.005 0.000 1.008 422 N HN -0.041 nan 8.380 nan 0.000 0.424 423 V N 1.470 121.363 119.914 -0.034 0.000 2.358 423 V HA -0.160 3.960 4.120 0.000 0.000 0.246 423 V C 1.985 178.013 176.094 -0.109 0.000 1.047 423 V CA 1.358 63.649 62.300 -0.014 0.000 1.035 423 V CB -0.377 31.529 31.823 0.139 0.000 0.658 423 V HN 0.315 nan 8.190 nan 0.000 0.452 424 L N -0.653 120.414 121.223 -0.260 0.000 2.465 424 L HA -0.092 4.249 4.340 0.000 0.000 0.224 424 L C 2.355 179.096 176.870 -0.215 0.000 1.145 424 L CA 0.883 55.554 54.840 -0.282 0.000 0.834 424 L CB -0.352 41.452 42.059 -0.426 0.000 0.944 424 L HN 0.239 nan 8.230 nan 0.000 0.451 425 K N -0.224 120.067 120.400 -0.181 0.000 2.067 425 K HA -0.034 4.287 4.320 0.000 0.000 0.203 425 K C 1.904 178.424 176.600 -0.134 0.000 1.048 425 K CA 0.832 57.019 56.287 -0.166 0.000 0.954 425 K CB -0.049 32.372 32.500 -0.132 0.000 0.737 425 K HN -0.035 nan 8.250 nan 0.000 0.444 426 V N 0.819 120.680 119.914 -0.089 0.000 2.358 426 V HA -0.131 3.989 4.120 0.000 0.000 0.246 426 V C 0.470 176.530 176.094 -0.057 0.000 1.047 426 V CA 1.399 63.669 62.300 -0.050 0.000 1.035 426 V CB -0.298 31.515 31.823 -0.016 0.000 0.658 426 V HN 0.335 nan 8.190 nan 0.000 0.452 427 Q N 0.525 120.282 119.800 -0.072 0.000 2.558 427 Q HA 0.265 4.605 4.340 0.000 0.000 0.252 427 Q C -2.156 173.771 176.000 -0.123 0.000 1.015 427 Q CA -1.336 54.434 55.803 -0.055 0.000 0.720 427 Q CB 2.035 30.786 28.738 0.021 0.000 1.215 427 Q HN 0.329 nan 8.270 nan 0.000 0.500 428 P HA 0.096 nan 4.420 nan 0.000 0.275 428 P C 0.254 177.397 177.300 -0.262 0.000 1.310 428 P CA 0.105 63.015 63.100 -0.316 0.000 0.904 428 P CB 0.310 31.753 31.700 -0.427 0.000 1.381 429 F N 0.812 120.775 119.950 0.022 0.000 2.780 429 F HA 0.333 4.860 4.527 0.001 0.000 0.299 429 F C 1.869 177.708 175.800 0.064 0.000 1.146 429 F CA 0.890 58.917 58.000 0.045 0.000 1.428 429 F CB -1.033 37.957 39.000 -0.017 0.000 1.115 429 F HN 0.037 nan 8.300 nan 0.000 0.583 430 G N 1.216 110.134 108.800 0.197 0.000 2.198 430 G HA2 -0.334 3.626 3.960 0.000 0.000 0.260 430 G HA3 -0.334 3.626 3.960 0.000 0.000 0.260 430 G C 0.101 175.101 174.900 0.167 0.000 1.025 430 G CA 0.089 45.287 45.100 0.164 0.000 0.769 430 G HN 0.467 nan 8.290 nan 0.000 0.507 431 N N -0.959 117.844 118.700 0.173 0.000 2.444 431 N HA 0.468 5.208 4.740 0.000 0.000 0.255 431 N C 0.488 176.072 175.510 0.124 0.000 1.255 431 N CA 0.200 53.335 53.050 0.142 0.000 0.933 431 N CB 1.228 39.796 38.487 0.136 0.000 1.143 431 N HN 0.561 nan 8.380 nan 0.000 0.453 432 V N -1.344 118.632 119.914 0.103 0.000 2.667 432 V HA 0.496 4.616 4.120 0.000 0.000 0.308 432 V C 0.078 176.223 176.094 0.085 0.000 1.048 432 V CA -0.951 61.403 62.300 0.090 0.000 0.928 432 V CB 1.493 33.342 31.823 0.044 0.000 1.004 432 V HN 0.238 nan 8.190 nan 0.000 0.444 433 V N 4.958 124.937 119.914 0.108 0.000 2.614 433 V HA 0.529 4.650 4.120 0.000 0.000 0.291 433 V C 0.523 176.642 176.094 0.042 0.000 1.049 433 V CA 0.533 62.898 62.300 0.107 0.000 1.038 433 V CB 0.860 32.784 31.823 0.169 0.000 0.980 433 V HN 1.145 nan 8.190 nan 0.000 0.481 434 V N 3.071 122.994 119.914 0.015 0.000 3.167 434 V HA 0.912 5.032 4.120 0.000 0.000 0.310 434 V C -1.151 174.921 176.094 -0.037 0.000 1.207 434 V CA -0.898 61.313 62.300 -0.148 0.000 1.059 434 V CB 2.138 33.853 31.823 -0.180 0.000 1.079 434 V HN 0.910 nan 8.190 nan 0.000 0.446 435 Y N -0.975 119.229 120.300 -0.160 0.000 2.655 435 Y HA 1.000 5.550 4.550 0.000 0.000 0.336 435 Y C -0.691 175.162 175.900 -0.078 0.000 1.154 435 Y CA -1.212 56.832 58.100 -0.094 0.000 1.055 435 Y CB 1.278 39.696 38.460 -0.070 0.000 1.295 435 Y HN 1.398 nan 8.280 nan 0.000 0.465 436 A N 1.433 124.421 122.820 0.281 0.000 2.459 436 A HA 0.548 4.868 4.320 0.000 0.000 0.296 436 A C -1.952 175.754 177.584 0.203 0.000 1.039 436 A CA -0.784 51.392 52.037 0.232 0.000 0.698 436 A CB 1.080 20.185 19.000 0.174 0.000 1.261 436 A HN 0.701 nan 8.150 nan 0.000 0.405 437 D N 3.203 123.729 120.400 0.209 0.000 2.280 437 D HA 0.565 5.205 4.640 0.000 0.000 0.243 437 D C 0.155 176.542 176.300 0.145 0.000 1.129 437 D CA 0.418 54.513 54.000 0.159 0.000 0.848 437 D CB 1.245 42.125 40.800 0.133 0.000 1.107 437 D HN 0.715 nan 8.370 nan 0.000 0.471 438 M N -0.731 118.975 119.600 0.177 0.000 2.664 438 M HA 0.486 4.966 4.480 0.000 0.000 0.279 438 M C -0.274 176.158 176.300 0.221 0.000 1.275 438 M CA -0.934 54.470 55.300 0.173 0.000 0.829 438 M CB 1.909 34.605 32.600 0.158 0.000 1.727 438 M HN 0.115 nan 8.290 nan 0.000 0.459 439 T N -1.341 113.322 114.554 0.182 0.000 2.882 439 T HA 0.418 4.768 4.350 0.000 0.000 0.287 439 T C 1.157 176.016 174.700 0.265 0.000 1.014 439 T CA -0.088 62.128 62.100 0.193 0.000 1.049 439 T CB 1.038 69.978 68.868 0.121 0.000 1.001 439 T HN 0.886 nan 8.240 nan 0.000 0.525 440 G N 0.394 109.390 108.800 0.326 0.000 2.450 440 G HA2 -0.217 3.744 3.960 0.000 0.000 0.220 440 G HA3 -0.217 3.744 3.960 0.000 0.000 0.220 440 G C 1.379 176.333 174.900 0.091 0.000 1.130 440 G CA 0.705 45.969 45.100 0.274 0.000 0.760 440 G HN 0.795 nan 8.290 nan 0.000 0.557 441 K N 0.565 121.022 120.400 0.095 0.000 2.097 441 K HA -0.054 4.267 4.320 0.000 0.000 0.205 441 K C 2.333 178.972 176.600 0.066 0.000 1.050 441 K CA 1.250 57.572 56.287 0.057 0.000 0.938 441 K CB -0.143 32.389 32.500 0.053 0.000 0.718 441 K HN 0.421 nan 8.250 nan 0.000 0.442 442 E N 0.187 120.446 120.200 0.097 0.000 2.106 442 E HA -0.123 4.227 4.350 0.000 0.000 0.192 442 E C 1.998 178.691 176.600 0.155 0.000 0.984 442 E CA 0.888 57.360 56.400 0.119 0.000 0.806 442 E CB 0.086 29.858 29.700 0.120 0.000 0.750 442 E HN 0.047 nan 8.360 nan 0.000 0.458 443 V N 1.637 121.629 119.914 0.130 0.000 2.295 443 V HA -0.272 3.848 4.120 0.000 0.000 0.246 443 V C 2.229 178.361 176.094 0.064 0.000 1.049 443 V CA 1.575 63.943 62.300 0.114 0.000 1.024 443 V CB -0.358 31.378 31.823 -0.145 0.000 0.648 443 V HN 0.271 nan 8.190 nan 0.000 0.447 444 I N -0.017 120.547 120.570 -0.010 0.000 2.179 444 I HA -0.230 3.940 4.170 0.000 0.000 0.242 444 I C 2.256 178.366 176.117 -0.013 0.000 1.088 444 I CA 1.701 62.974 61.300 -0.045 0.000 1.357 444 I CB -0.499 37.469 38.000 -0.053 0.000 1.051 444 I HN 0.339 nan 8.210 nan 0.000 0.409 445 D N -0.198 120.224 120.400 0.035 0.000 2.149 445 D HA -0.201 4.439 4.640 0.000 0.000 0.201 445 D C 1.907 178.246 176.300 0.066 0.000 0.972 445 D CA 1.219 55.239 54.000 0.034 0.000 0.835 445 D CB -0.262 40.567 40.800 0.048 0.000 0.966 445 D HN 0.362 nan 8.370 nan 0.000 0.476 446 Y N 1.493 121.810 120.300 0.029 0.000 2.163 446 Y HA -0.090 4.461 4.550 0.000 0.000 0.288 446 Y C 2.201 178.139 175.900 0.063 0.000 1.136 446 Y CA 1.239 59.376 58.100 0.061 0.000 1.147 446 Y CB -0.361 38.177 38.460 0.130 0.000 0.987 446 Y HN -0.140 nan 8.280 nan 0.000 0.509 447 L N -0.858 120.450 121.223 0.141 0.000 2.201 447 L HA -0.196 4.145 4.340 0.000 0.000 0.212 447 L C 2.255 179.040 176.870 -0.142 0.000 1.105 447 L CA 1.564 56.441 54.840 0.062 0.000 0.775 447 L CB -0.748 41.383 42.059 0.120 0.000 0.913 447 L HN 0.229 nan 8.230 nan 0.000 0.440 448 T N -0.102 114.352 114.554 -0.167 0.000 2.746 448 T HA -0.154 4.196 4.350 0.000 0.000 0.267 448 T C 2.016 176.612 174.700 -0.174 0.000 1.039 448 T CA 1.347 63.321 62.100 -0.211 0.000 1.142 448 T CB -0.124 68.652 68.868 -0.154 0.000 0.866 448 T HN 0.453 nan 8.240 nan 0.000 0.444 449 A N 0.887 123.598 122.820 -0.183 0.000 1.873 449 A HA -0.018 4.302 4.320 0.000 0.000 0.215 449 A C 2.562 179.979 177.584 -0.278 0.000 1.186 449 A CA 1.215 53.127 52.037 -0.208 0.000 0.616 449 A CB -0.976 17.890 19.000 -0.223 0.000 0.823 449 A HN 0.342 nan 8.150 nan 0.000 0.442 450 V N -0.027 119.652 119.914 -0.391 0.000 2.407 450 V HA -0.226 3.894 4.120 0.000 0.000 0.248 450 V C 2.894 178.936 176.094 -0.086 0.000 1.055 450 V CA 1.761 63.794 62.300 -0.444 0.000 1.049 450 V CB -1.072 30.466 31.823 -0.475 0.000 0.662 450 V HN 0.596 nan 8.190 nan 0.000 0.455 451 A N -1.144 121.729 122.820 0.089 0.000 2.216 451 A HA -0.182 4.138 4.320 0.000 0.000 0.214 451 A C 2.056 179.826 177.584 0.310 0.000 1.160 451 A CA 1.084 53.329 52.037 0.347 0.000 0.725 451 A CB -0.381 18.566 19.000 -0.088 0.000 0.784 451 A HN 0.639 nan 8.150 nan 0.000 0.472 452 Q N -0.788 119.051 119.800 0.066 0.000 2.425 452 Q HA 0.132 4.473 4.340 0.000 0.000 0.204 452 Q C -0.104 175.892 176.000 -0.008 0.000 0.933 452 Q CA -0.124 55.701 55.803 0.038 0.000 0.939 452 Q CB 0.034 28.756 28.738 -0.026 0.000 1.044 452 Q HN 0.484 nan 8.270 nan 0.000 0.513 453 M N 1.477 121.051 119.600 -0.043 0.000 2.238 453 M HA 0.108 4.588 4.480 0.000 0.000 0.350 453 M C -0.066 176.216 176.300 -0.030 0.000 1.321 453 M CA 0.704 55.970 55.300 -0.057 0.000 1.097 453 M CB 0.262 32.802 32.600 -0.100 0.000 1.713 453 M HN -0.108 nan 8.290 nan 0.000 0.455 454 K N 3.655 124.031 120.400 -0.040 0.000 2.087 454 K HA 0.476 4.797 4.320 0.000 0.000 0.255 454 K C -2.191 174.353 176.600 -0.094 0.000 0.988 454 K CA -1.465 54.770 56.287 -0.086 0.000 0.915 454 K CB 0.519 32.959 32.500 -0.100 0.000 1.043 454 K HN 0.329 nan 8.250 nan 0.000 0.457 455 P HA -0.026 nan 4.420 nan 0.000 0.274 455 P C -0.643 176.263 177.300 -0.657 0.000 1.260 455 P CA 0.170 62.904 63.100 -0.610 0.000 0.793 455 P CB 0.304 31.610 31.700 -0.657 0.000 1.048 456 D N -1.750 117.911 120.400 -1.232 0.000 2.907 456 D HA -0.128 4.512 4.640 0.000 0.000 0.226 456 D C -0.966 175.111 176.300 -0.373 0.000 1.141 456 D CA 1.413 54.852 54.000 -0.935 0.000 0.779 456 D CB -1.642 38.880 40.800 -0.464 0.000 1.095 456 D HN 0.502 nan 8.370 nan 0.000 0.430 457 S N -3.434 112.096 115.700 -0.284 0.000 2.570 457 S HA 0.677 5.147 4.470 0.000 0.000 0.270 457 S C 1.374 175.967 174.600 -0.012 0.000 1.149 457 S CA -0.252 57.894 58.200 -0.090 0.000 0.837 457 S CB 1.519 64.691 63.200 -0.048 0.000 1.124 457 S HN 0.194 nan 8.310 nan 0.000 0.465 458 G N 0.655 109.481 108.800 0.043 0.000 2.448 458 G HA2 0.127 4.087 3.960 0.000 0.000 0.219 458 G HA3 0.127 4.087 3.960 0.000 0.000 0.219 458 G C 1.261 176.236 174.900 0.125 0.000 1.127 458 G CA 0.735 45.886 45.100 0.085 0.000 0.766 458 G HN 1.347 nan 8.290 nan 0.000 0.552 459 A N -0.526 122.379 122.820 0.142 0.000 2.206 459 A HA 0.249 4.569 4.320 0.000 0.000 0.211 459 A C 0.941 178.660 177.584 0.225 0.000 1.158 459 A CA -0.391 51.784 52.037 0.231 0.000 0.761 459 A CB -0.450 18.683 19.000 0.222 0.000 0.801 459 A HN 0.407 nan 8.150 nan 0.000 0.473 460 Y N 2.510 122.821 120.300 0.018 0.000 2.810 460 Y HA 0.184 4.735 4.550 0.000 0.000 0.332 460 Y C -2.287 173.638 175.900 0.042 0.000 1.243 460 Y CA -1.938 56.143 58.100 -0.032 0.000 1.537 460 Y CB 0.435 38.819 38.460 -0.126 0.000 1.265 460 Y HN 0.151 nan 8.280 nan 0.000 0.572 461 P HA 0.081 nan 4.420 nan 0.000 0.285 461 P C -1.380 175.503 177.300 -0.695 0.000 1.259 461 P CA -0.382 62.378 63.100 -0.566 0.000 0.794 461 P CB 1.441 32.707 31.700 -0.722 0.000 0.940 462 Q N 2.580 122.168 119.800 -0.353 0.000 2.290 462 Q HA 0.446 4.786 4.340 0.000 0.000 0.259 462 Q C -0.589 175.308 176.000 -0.172 0.000 0.941 462 Q CA -0.288 55.448 55.803 -0.112 0.000 0.912 462 Q CB 0.936 29.698 28.738 0.040 0.000 1.244 462 Q HN 0.427 nan 8.270 nan 0.000 0.441 463 F N 0.413 120.447 119.950 0.140 0.000 2.523 463 F HA 0.770 5.298 4.527 0.000 0.000 0.329 463 F C 0.127 176.011 175.800 0.139 0.000 1.061 463 F CA -1.060 57.037 58.000 0.163 0.000 0.967 463 F CB 1.765 40.848 39.000 0.138 0.000 1.218 463 F HN 0.455 nan 8.300 nan 0.000 0.480 464 A N 1.594 124.647 122.820 0.387 0.000 2.408 464 A HA 0.615 4.935 4.320 0.000 0.000 0.295 464 A C -0.357 177.388 177.584 0.269 0.000 1.040 464 A CA -0.747 51.447 52.037 0.262 0.000 0.707 464 A CB 0.716 19.837 19.000 0.202 0.000 1.235 464 A HN 0.820 nan 8.150 nan 0.000 0.418 465 N N -0.612 118.194 118.700 0.178 0.000 2.782 465 N HA -0.142 4.598 4.740 0.000 0.000 0.251 465 N C -0.467 175.093 175.510 0.083 0.000 1.101 465 N CA 1.442 54.576 53.050 0.139 0.000 0.764 465 N CB -1.368 37.236 38.487 0.195 0.000 1.122 465 N HN 0.633 nan 8.380 nan 0.000 0.561 466 V N 0.131 120.070 119.914 0.042 0.000 2.628 466 V HA 0.801 4.921 4.120 0.000 0.000 0.306 466 V C 0.242 176.167 176.094 -0.282 0.000 1.045 466 V CA -0.405 61.831 62.300 -0.107 0.000 0.905 466 V CB 2.161 33.936 31.823 -0.080 0.000 0.997 466 V HN 0.351 nan 8.190 nan 0.000 0.436 467 S N 4.080 119.599 115.700 -0.301 0.000 2.540 467 S HA 0.968 5.438 4.470 0.000 0.000 0.275 467 S C -1.068 173.352 174.600 -0.301 0.000 1.123 467 S CA -0.643 57.324 58.200 -0.390 0.000 0.907 467 S CB 2.240 65.310 63.200 -0.217 0.000 1.081 467 S HN 1.389 nan 8.310 nan 0.000 0.476 468 F N -1.264 118.494 119.950 -0.319 0.000 2.878 468 F HA 0.713 5.240 4.527 0.000 0.000 0.322 468 F C -2.434 173.160 175.800 -0.343 0.000 1.154 468 F CA -1.350 56.458 58.000 -0.320 0.000 0.896 468 F CB 0.446 39.220 39.000 -0.377 0.000 1.313 468 F HN 0.454 nan 8.300 nan 0.000 0.451 469 V N 1.917 121.910 119.914 0.132 0.000 2.407 469 V HA 0.820 4.940 4.120 0.000 0.000 0.291 469 V C -0.078 176.011 176.094 -0.010 0.000 1.018 469 V CA -0.439 61.876 62.300 0.024 0.000 0.842 469 V CB 0.982 32.794 31.823 -0.020 0.000 0.996 469 V HN 1.210 nan 8.190 nan 0.000 0.426 470 A N 5.035 127.798 122.820 -0.094 0.000 2.301 470 A HA 0.876 5.196 4.320 0.000 0.000 0.312 470 A C -0.268 177.311 177.584 -0.009 0.000 1.182 470 A CA -0.473 51.453 52.037 -0.185 0.000 0.826 470 A CB 0.928 19.696 19.000 -0.387 0.000 1.134 470 A HN 0.794 nan 8.150 nan 0.000 0.501 471 K N 2.074 122.470 120.400 -0.006 0.000 2.570 471 K HA 0.322 4.643 4.320 0.000 0.000 0.256 471 K C -1.358 175.254 176.600 0.020 0.000 0.939 471 K CA -0.523 55.788 56.287 0.040 0.000 0.833 471 K CB 1.039 33.556 32.500 0.028 0.000 1.318 471 K HN 0.666 nan 8.250 nan 0.000 0.433 472 D N 3.025 123.448 120.400 0.039 0.000 2.686 472 D HA -0.193 4.447 4.640 0.000 0.000 0.235 472 D C 0.647 176.948 176.300 0.003 0.000 1.160 472 D CA 1.990 56.003 54.000 0.020 0.000 0.645 472 D CB -1.215 39.591 40.800 0.010 0.000 1.039 472 D HN 1.101 nan 8.370 nan 0.000 0.423 473 G N -0.177 108.628 108.800 0.009 0.000 2.175 473 G HA2 -0.383 3.578 3.960 0.000 0.000 0.265 473 G HA3 -0.383 3.578 3.960 0.000 0.000 0.265 473 G C 0.294 175.159 174.900 -0.060 0.000 0.979 473 G CA 1.099 46.189 45.100 -0.017 0.000 0.663 473 G HN 0.718 nan 8.290 nan 0.000 0.533 474 K N -0.108 120.249 120.400 -0.071 0.000 2.318 474 K HA 0.750 5.070 4.320 0.000 0.000 0.249 474 K C -0.017 176.483 176.600 -0.168 0.000 0.942 474 K CA -1.152 55.071 56.287 -0.106 0.000 0.808 474 K CB 1.041 33.499 32.500 -0.070 0.000 1.189 474 K HN 0.106 nan 8.250 nan 0.000 0.428 475 L N 3.090 124.178 121.223 -0.225 0.000 2.325 475 L HA 0.400 4.740 4.340 0.000 0.000 0.279 475 L C -0.162 176.607 176.870 -0.169 0.000 1.054 475 L CA -0.927 53.728 54.840 -0.309 0.000 0.804 475 L CB 1.386 43.171 42.059 -0.456 0.000 1.200 475 L HN 0.662 nan 8.230 nan 0.000 0.436 476 N N 1.529 120.158 118.700 -0.119 0.000 2.284 476 N HA 0.124 4.865 4.740 0.000 0.000 0.300 476 N C -0.764 174.721 175.510 -0.041 0.000 1.047 476 N CA -0.505 52.505 53.050 -0.066 0.000 0.821 476 N CB 1.908 40.368 38.487 -0.046 0.000 1.337 476 N HN 0.594 nan 8.380 nan 0.000 0.482 477 D N 0.958 121.332 120.400 -0.043 0.000 2.697 477 D HA -0.199 4.441 4.640 0.000 0.000 0.238 477 D C -0.697 175.579 176.300 -0.040 0.000 1.152 477 D CA 0.307 54.284 54.000 -0.039 0.000 0.666 477 D CB -0.886 39.894 40.800 -0.035 0.000 1.037 477 D HN 0.413 nan 8.370 nan 0.000 0.423 478 L N 0.678 121.870 121.223 -0.052 0.000 2.455 478 L HA 0.371 4.711 4.340 0.000 0.000 0.272 478 L C 0.111 176.922 176.870 -0.099 0.000 1.174 478 L CA 0.647 55.451 54.840 -0.060 0.000 0.869 478 L CB 0.499 42.494 42.059 -0.108 0.000 1.130 478 L HN 0.143 nan 8.230 nan 0.000 0.474 479 K N 5.847 126.177 120.400 -0.116 0.000 2.477 479 K HA 0.607 4.927 4.320 0.000 0.000 0.255 479 K C -1.498 174.998 176.600 -0.172 0.000 0.952 479 K CA -0.837 55.374 56.287 -0.126 0.000 0.826 479 K CB 2.208 34.657 32.500 -0.084 0.000 1.331 479 K HN 0.364 nan 8.250 nan 0.000 0.437 480 I N 2.645 123.118 120.570 -0.162 0.000 2.389 480 I HA 0.199 4.369 4.170 0.000 0.000 0.288 480 I C 0.060 176.167 176.117 -0.016 0.000 0.999 480 I CA -0.537 60.670 61.300 -0.155 0.000 1.129 480 I CB 1.200 39.042 38.000 -0.264 0.000 1.288 480 I HN 0.728 nan 8.210 nan 0.000 0.444 481 K N 4.270 124.678 120.400 0.014 0.000 3.069 481 K HA -0.241 4.079 4.320 0.000 0.000 0.267 481 K C 0.986 177.596 176.600 0.017 0.000 1.082 481 K CA 0.677 56.988 56.287 0.039 0.000 0.782 481 K CB -1.379 31.165 32.500 0.073 0.000 1.230 481 K HN 1.204 nan 8.250 nan 0.000 0.488 482 G N -0.478 108.316 108.800 -0.011 0.000 2.179 482 G HA2 -0.282 3.678 3.960 0.000 0.000 0.260 482 G HA3 -0.282 3.678 3.960 0.000 0.000 0.260 482 G C -0.268 174.626 174.900 -0.010 0.000 0.977 482 G CA 0.517 45.608 45.100 -0.015 0.000 0.641 482 G HN 0.303 nan 8.290 nan 0.000 0.533 483 E N 0.914 121.114 120.200 -0.001 0.000 2.171 483 E HA 0.447 4.797 4.350 0.000 0.000 0.271 483 E C -2.503 174.096 176.600 -0.002 0.000 0.916 483 E CA -2.074 54.334 56.400 0.012 0.000 0.774 483 E CB 1.802 31.530 29.700 0.047 0.000 1.128 483 E HN 0.076 nan 8.360 nan 0.000 0.403 484 P HA -0.063 nan 4.420 nan 0.000 0.265 484 P C -0.241 177.055 177.300 -0.007 0.000 1.187 484 P CA 0.043 63.130 63.100 -0.022 0.000 0.766 484 P CB 0.493 32.187 31.700 -0.010 0.000 0.820 485 V N 3.560 123.433 119.914 -0.068 0.000 2.637 485 V HA 0.042 4.162 4.120 0.000 0.000 0.296 485 V C 0.669 176.790 176.094 0.045 0.000 1.046 485 V CA 0.536 62.781 62.300 -0.091 0.000 1.066 485 V CB 0.535 32.200 31.823 -0.263 0.000 0.968 485 V HN 0.547 nan 8.190 nan 0.000 0.483 486 D N 6.188 126.716 120.400 0.213 0.000 2.392 486 D HA 0.319 4.959 4.640 0.000 0.000 0.228 486 D C -1.814 174.596 176.300 0.183 0.000 1.074 486 D CA -1.972 52.124 54.000 0.161 0.000 0.838 486 D CB 2.294 43.179 40.800 0.141 0.000 1.067 486 D HN 0.205 nan 8.370 nan 0.000 0.511 487 P HA -0.149 nan 4.420 nan 0.000 0.219 487 P C 0.679 178.039 177.300 0.100 0.000 1.144 487 P CA 1.049 64.202 63.100 0.089 0.000 0.806 487 P CB 0.410 32.138 31.700 0.047 0.000 0.771 488 A N -2.082 120.790 122.820 0.087 0.000 1.997 488 A HA 0.019 4.339 4.320 0.000 0.000 0.212 488 A C 1.223 178.830 177.584 0.038 0.000 1.178 488 A CA 0.612 52.683 52.037 0.056 0.000 0.698 488 A CB -0.249 18.770 19.000 0.032 0.000 0.842 488 A HN 0.004 nan 8.150 nan 0.000 0.458 489 K N 0.527 120.943 120.400 0.028 0.000 2.149 489 K HA 0.314 4.634 4.320 0.000 0.000 0.245 489 K C -0.493 176.005 176.600 -0.170 0.000 1.024 489 K CA 0.291 56.501 56.287 -0.129 0.000 0.899 489 K CB 0.055 32.375 32.500 -0.300 0.000 1.038 489 K HN 0.132 nan 8.250 nan 0.000 0.496 490 T N 1.423 115.793 114.554 -0.307 0.000 2.824 490 T HA 0.501 4.852 4.350 0.000 0.000 0.280 490 T C -0.900 173.588 174.700 -0.355 0.000 0.995 490 T CA -0.412 61.587 62.100 -0.168 0.000 1.009 490 T CB 0.279 69.105 68.868 -0.071 0.000 0.955 490 T HN 0.228 nan 8.240 nan 0.000 0.452 491 Y N 0.922 121.288 120.300 0.111 0.000 2.536 491 Y HA 0.631 5.182 4.550 0.000 0.000 0.347 491 Y C 0.295 176.311 175.900 0.193 0.000 1.000 491 Y CA -1.307 56.898 58.100 0.175 0.000 1.051 491 Y CB 1.736 40.343 38.460 0.244 0.000 1.259 491 Y HN 0.420 nan 8.280 nan 0.000 0.468 492 R N 3.227 123.927 120.500 0.332 0.000 2.437 492 R HA 0.657 4.998 4.340 0.000 0.000 0.310 492 R C -1.424 174.893 176.300 0.028 0.000 0.955 492 R CA -0.593 55.593 56.100 0.142 0.000 0.851 492 R CB 1.225 31.518 30.300 -0.011 0.000 1.161 492 R HN 0.919 nan 8.270 nan 0.000 0.446 493 M N 3.695 123.184 119.600 -0.186 0.000 2.456 493 M HA 0.603 5.083 4.480 0.000 0.000 0.324 493 M C -1.476 174.687 176.300 -0.228 0.000 1.124 493 M CA -0.578 54.350 55.300 -0.620 0.000 0.959 493 M CB 2.128 34.072 32.600 -1.094 0.000 1.692 493 M HN 0.799 nan 8.290 nan 0.000 0.444 494 A N 2.734 125.440 122.820 -0.190 0.000 2.340 494 A HA 0.880 5.200 4.320 0.000 0.000 0.331 494 A C -0.524 177.054 177.584 -0.011 0.000 1.140 494 A CA -0.417 51.611 52.037 -0.015 0.000 0.801 494 A CB 1.907 20.921 19.000 0.023 0.000 1.234 494 A HN 0.900 nan 8.150 nan 0.000 0.469 495 T N 0.121 114.702 114.554 0.044 0.000 2.661 495 T HA 0.516 4.866 4.350 0.000 0.000 0.305 495 T C -1.576 173.170 174.700 0.077 0.000 1.535 495 T CA -0.434 61.701 62.100 0.060 0.000 1.000 495 T CB 0.078 68.993 68.868 0.077 0.000 1.811 495 T HN 0.611 nan 8.240 nan 0.000 0.471 496 L N 2.678 123.951 121.223 0.083 0.000 2.334 496 L HA 0.504 4.844 4.340 0.000 0.000 0.270 496 L C 1.784 178.724 176.870 0.117 0.000 1.018 496 L CA -1.014 53.889 54.840 0.104 0.000 0.811 496 L CB 1.195 43.326 42.059 0.119 0.000 1.271 496 L HN 0.826 nan 8.230 nan 0.000 0.443 497 N N 1.036 119.808 118.700 0.119 0.000 2.272 497 N HA -0.266 4.474 4.740 0.000 0.000 0.185 497 N C 1.578 177.129 175.510 0.067 0.000 1.014 497 N CA 1.394 54.512 53.050 0.114 0.000 0.870 497 N CB -0.491 38.052 38.487 0.093 0.000 0.975 497 N HN 0.653 nan 8.380 nan 0.000 0.433 498 F N 2.210 122.127 119.950 -0.055 0.000 2.046 498 F HA -0.153 4.374 4.527 0.001 0.000 0.297 498 F C 1.715 177.443 175.800 -0.120 0.000 1.123 498 F CA 1.842 59.776 58.000 -0.110 0.000 1.199 498 F CB -0.610 38.302 39.000 -0.146 0.000 0.972 498 F HN -0.013 nan 8.300 nan 0.000 0.474 499 N N 0.404 119.033 118.700 -0.118 0.000 2.171 499 N HA -0.060 4.680 4.740 0.000 0.000 0.184 499 N C 1.923 177.364 175.510 -0.114 0.000 1.021 499 N CA 1.300 54.186 53.050 -0.274 0.000 0.854 499 N CB -0.607 37.723 38.487 -0.261 0.000 0.994 499 N HN 0.394 nan 8.380 nan 0.000 0.426 500 A N 0.290 123.097 122.820 -0.022 0.000 2.024 500 A HA -0.143 4.177 4.320 0.000 0.000 0.220 500 A C 2.032 179.533 177.584 -0.138 0.000 1.164 500 A CA 1.941 53.969 52.037 -0.014 0.000 0.643 500 A CB -1.070 18.005 19.000 0.126 0.000 0.806 500 A HN 0.479 nan 8.150 nan 0.000 0.451 501 T N -4.835 109.621 114.554 -0.163 0.000 3.144 501 T HA 0.436 4.786 4.350 0.000 0.000 0.249 501 T C 1.166 175.752 174.700 -0.190 0.000 1.089 501 T CA 0.991 62.978 62.100 -0.188 0.000 0.989 501 T CB 0.184 68.951 68.868 -0.169 0.000 0.992 501 T HN 1.639 nan 8.240 nan 0.000 0.540 502 G N 0.347 109.033 108.800 -0.190 0.000 2.168 502 G HA2 -0.025 3.935 3.960 0.000 0.000 0.197 502 G HA3 -0.025 3.935 3.960 0.000 0.000 0.197 502 G C 0.430 175.155 174.900 -0.291 0.000 0.997 502 G CA -0.380 44.627 45.100 -0.156 0.000 0.658 502 G HN 0.961 nan 8.290 nan 0.000 0.513 503 G N -0.133 108.275 108.800 -0.653 0.000 2.414 503 G HA2 0.436 4.396 3.960 0.000 0.000 0.236 503 G HA3 0.436 4.396 3.960 0.000 0.000 0.236 503 G C 0.633 175.200 174.900 -0.555 0.000 1.293 503 G CA 0.954 45.298 45.100 -1.261 0.000 0.869 503 G HN 0.716 nan 8.290 nan 0.000 0.556 504 D N 0.213 120.504 120.400 -0.182 0.000 3.039 504 D HA -0.216 4.424 4.640 0.000 0.000 0.222 504 D C 1.659 178.069 176.300 0.183 0.000 1.179 504 D CA 2.599 56.669 54.000 0.116 0.000 0.880 504 D CB -1.201 39.742 40.800 0.238 0.000 1.115 504 D HN 1.731 nan 8.370 nan 0.000 0.416 505 G N -1.487 107.356 108.800 0.071 0.000 2.162 505 G HA2 -0.388 3.572 3.960 0.000 0.000 0.260 505 G HA3 -0.388 3.572 3.960 0.000 0.000 0.260 505 G C 0.216 175.177 174.900 0.103 0.000 0.976 505 G CA 0.343 45.480 45.100 0.061 0.000 0.655 505 G HN 0.407 nan 8.290 nan 0.000 0.533 506 Y N 0.825 121.069 120.300 -0.094 0.000 2.480 506 Y HA 0.397 4.948 4.550 0.001 0.000 0.338 506 Y C -1.462 174.421 175.900 -0.029 0.000 1.220 506 Y CA -1.785 56.272 58.100 -0.072 0.000 1.430 506 Y CB 0.119 38.564 38.460 -0.024 0.000 1.311 506 Y HN 0.009 nan 8.280 nan 0.000 0.575 507 P HA 0.020 nan 4.420 nan 0.000 0.264 507 P C -0.307 177.110 177.300 0.194 0.000 1.193 507 P CA 0.152 63.338 63.100 0.143 0.000 0.763 507 P CB 0.417 32.236 31.700 0.198 0.000 0.810 508 R N 3.053 123.594 120.500 0.067 0.000 2.570 508 R HA 0.101 4.441 4.340 0.000 0.000 0.277 508 R C 0.849 177.124 176.300 -0.043 0.000 1.039 508 R CA 0.339 56.429 56.100 -0.016 0.000 1.065 508 R CB 0.202 30.464 30.300 -0.063 0.000 0.964 508 R HN 0.597 nan 8.270 nan 0.000 0.428 509 L N 1.709 122.834 121.223 -0.163 0.000 2.803 509 L HA -0.001 4.339 4.340 0.000 0.000 0.246 509 L C 1.761 178.257 176.870 -0.623 0.000 1.100 509 L CA 0.033 54.728 54.840 -0.241 0.000 0.919 509 L CB 0.025 41.990 42.059 -0.158 0.000 1.285 509 L HN 0.666 nan 8.230 nan 0.000 0.522 510 D N 0.798 120.636 120.400 -0.936 0.000 2.218 510 D HA -0.205 4.436 4.640 0.000 0.000 0.204 510 D C 0.867 176.810 176.300 -0.595 0.000 0.976 510 D CA 1.198 54.325 54.000 -1.456 0.000 0.853 510 D CB -0.373 39.938 40.800 -0.816 0.000 0.939 510 D HN 0.434 nan 8.370 nan 0.000 0.481 511 N N 0.347 118.853 118.700 -0.324 0.000 2.320 511 N HA 0.025 4.765 4.740 0.000 0.000 0.237 511 N C -0.374 175.084 175.510 -0.086 0.000 1.129 511 N CA -0.294 52.668 53.050 -0.146 0.000 0.854 511 N CB 0.330 38.755 38.487 -0.103 0.000 1.083 511 N HN -0.023 nan 8.380 nan 0.000 0.504 512 K N 0.643 120.990 120.400 -0.089 0.000 2.328 512 K HA 0.529 4.850 4.320 0.000 0.000 0.246 512 K C -2.778 173.847 176.600 0.041 0.000 0.955 512 K CA -1.816 54.461 56.287 -0.016 0.000 0.817 512 K CB 1.262 33.754 32.500 -0.014 0.000 1.208 512 K HN -0.028 nan 8.250 nan 0.000 0.432 513 P HA 0.081 nan 4.420 nan 0.000 0.269 513 P C 0.550 177.908 177.300 0.097 0.000 1.209 513 P CA 0.600 63.740 63.100 0.068 0.000 0.776 513 P CB 0.361 32.093 31.700 0.052 0.000 0.876 514 G N 0.509 109.371 108.800 0.104 0.000 2.143 514 G HA2 -0.280 3.680 3.960 0.000 0.000 0.249 514 G HA3 -0.280 3.680 3.960 0.000 0.000 0.249 514 G C -0.233 174.756 174.900 0.149 0.000 0.981 514 G CA -0.263 44.911 45.100 0.123 0.000 0.665 514 G HN 0.568 nan 8.290 nan 0.000 0.528 515 Y N 0.592 120.882 120.300 -0.016 0.000 2.304 515 Y HA 0.561 5.111 4.550 0.000 0.000 0.328 515 Y C -0.029 175.767 175.900 -0.174 0.000 1.123 515 Y CA -0.729 57.322 58.100 -0.082 0.000 1.218 515 Y CB 1.497 39.912 38.460 -0.074 0.000 1.207 515 Y HN 0.229 nan 8.280 nan 0.000 0.495 516 V N 6.819 126.100 119.914 -1.054 0.000 2.668 516 V HA 0.212 4.332 4.120 0.000 0.000 0.304 516 V C -0.875 174.500 176.094 -1.198 0.000 1.071 516 V CA -1.278 60.390 62.300 -1.053 0.000 0.894 516 V CB 1.806 32.907 31.823 -1.202 0.000 1.008 516 V HN 0.808 nan 8.190 nan 0.000 0.425 517 N N 2.692 120.917 118.700 -0.793 0.000 2.462 517 N HA 0.110 4.851 4.740 0.000 0.000 0.242 517 N C 1.223 176.496 175.510 -0.394 0.000 1.010 517 N CA 0.401 53.137 53.050 -0.523 0.000 0.939 517 N CB 2.025 40.340 38.487 -0.287 0.000 1.127 517 N HN 0.868 nan 8.380 nan 0.000 0.509 518 T N 0.713 115.059 114.554 -0.347 0.000 2.995 518 T HA 0.071 4.421 4.350 0.000 0.000 0.269 518 T C 1.357 175.708 174.700 -0.581 0.000 1.091 518 T CA 1.126 63.017 62.100 -0.347 0.000 1.128 518 T CB -0.279 68.551 68.868 -0.064 0.000 0.891 518 T HN 0.634 nan 8.240 nan 0.000 0.492 519 G N 0.705 109.289 108.800 -0.360 0.000 2.184 519 G HA2 -0.214 3.746 3.960 0.000 0.000 0.264 519 G HA3 -0.214 3.746 3.960 0.000 0.000 0.264 519 G C -0.103 174.637 174.900 -0.267 0.000 0.975 519 G CA 0.077 44.990 45.100 -0.311 0.000 0.642 519 G HN 0.564 nan 8.290 nan 0.000 0.536 520 F N 1.684 121.645 119.950 0.018 0.000 2.456 520 F HA 0.505 5.032 4.527 0.000 0.000 0.358 520 F C 1.194 177.023 175.800 0.049 0.000 1.095 520 F CA -1.529 56.493 58.000 0.036 0.000 1.216 520 F CB 0.528 39.553 39.000 0.042 0.000 1.125 520 F HN -0.086 nan 8.300 nan 0.000 0.549 521 I N 4.047 124.768 120.570 0.251 0.000 2.648 521 I HA -0.051 4.120 4.170 0.000 0.000 0.284 521 I C 1.279 177.502 176.117 0.177 0.000 1.153 521 I CA -0.263 61.146 61.300 0.181 0.000 1.426 521 I CB 0.377 38.477 38.000 0.167 0.000 1.381 521 I HN 0.623 nan 8.210 nan 0.000 0.571 522 D N 5.909 126.398 120.400 0.149 0.000 2.127 522 D HA -0.259 4.381 4.640 0.000 0.000 0.190 522 D C 1.763 178.140 176.300 0.128 0.000 1.000 522 D CA 1.980 56.057 54.000 0.129 0.000 0.839 522 D CB -0.361 40.508 40.800 0.116 0.000 0.955 522 D HN 0.582 nan 8.370 nan 0.000 0.446 523 A N 0.528 123.433 122.820 0.141 0.000 1.933 523 A HA -0.197 4.123 4.320 0.000 0.000 0.218 523 A C 2.161 179.899 177.584 0.256 0.000 1.175 523 A CA 1.645 53.791 52.037 0.182 0.000 0.628 523 A CB -0.430 18.662 19.000 0.154 0.000 0.814 523 A HN 0.207 nan 8.150 nan 0.000 0.444 524 E N -0.046 120.282 120.200 0.213 0.000 2.047 524 E HA -0.120 4.230 4.350 0.000 0.000 0.191 524 E C 2.210 178.851 176.600 0.068 0.000 0.987 524 E CA 1.363 57.841 56.400 0.131 0.000 0.799 524 E CB -0.672 29.105 29.700 0.129 0.000 0.752 524 E HN 0.415 nan 8.360 nan 0.000 0.449 525 V N 1.857 121.822 119.914 0.085 0.000 2.295 525 V HA -0.247 3.874 4.120 0.000 0.000 0.246 525 V C 2.520 178.664 176.094 0.083 0.000 1.049 525 V CA 1.608 63.937 62.300 0.048 0.000 1.024 525 V CB -0.574 31.289 31.823 0.066 0.000 0.648 525 V HN 0.154 nan 8.190 nan 0.000 0.447 526 L N 0.374 121.655 121.223 0.096 0.000 2.046 526 L HA -0.164 4.177 4.340 0.000 0.000 0.208 526 L C 2.425 179.380 176.870 0.141 0.000 1.077 526 L CA 2.191 57.096 54.840 0.109 0.000 0.747 526 L CB -0.804 41.305 42.059 0.083 0.000 0.896 526 L HN 0.271 nan 8.230 nan 0.000 0.432 527 K N -0.652 119.819 120.400 0.119 0.000 2.026 527 K HA -0.175 4.145 4.320 0.000 0.000 0.208 527 K C 1.973 178.575 176.600 0.003 0.000 1.048 527 K CA 1.432 57.752 56.287 0.055 0.000 0.929 527 K CB -0.256 32.184 32.500 -0.100 0.000 0.713 527 K HN 0.450 nan 8.250 nan 0.000 0.439 528 A N 0.240 123.056 122.820 -0.006 0.000 1.930 528 A HA -0.187 4.133 4.320 0.000 0.000 0.217 528 A C 2.046 179.636 177.584 0.010 0.000 1.175 528 A CA 1.345 53.366 52.037 -0.028 0.000 0.627 528 A CB -0.828 18.140 19.000 -0.054 0.000 0.815 528 A HN 0.601 nan 8.150 nan 0.000 0.443 529 Y N 0.410 120.690 120.300 -0.034 0.000 2.242 529 Y HA -0.135 4.415 4.550 0.000 0.000 0.291 529 Y C 1.934 177.834 175.900 0.000 0.000 1.137 529 Y CA 1.688 59.781 58.100 -0.012 0.000 1.181 529 Y CB -0.169 38.292 38.460 0.001 0.000 0.989 529 Y HN 0.266 nan 8.280 nan 0.000 0.527 530 I N -0.034 120.601 120.570 0.107 0.000 2.252 530 I HA -0.317 3.853 4.170 0.000 0.000 0.245 530 I C 2.349 178.434 176.117 -0.053 0.000 1.102 530 I CA 1.370 62.692 61.300 0.036 0.000 1.385 530 I CB -0.478 37.572 38.000 0.084 0.000 1.064 530 I HN 0.325 nan 8.210 nan 0.000 0.414 531 Q N 1.185 120.955 119.800 -0.050 0.000 2.030 531 Q HA -0.268 4.072 4.340 0.000 0.000 0.204 531 Q C 2.161 178.108 176.000 -0.089 0.000 0.986 531 Q CA 2.208 57.974 55.803 -0.062 0.000 0.843 531 Q CB -0.220 28.479 28.738 -0.065 0.000 0.904 531 Q HN 0.552 nan 8.270 nan 0.000 0.420 532 K N -0.661 119.662 120.400 -0.128 0.000 2.366 532 K HA 0.071 4.392 4.320 0.000 0.000 0.198 532 K C 1.476 177.968 176.600 -0.181 0.000 1.044 532 K CA 1.334 57.537 56.287 -0.140 0.000 0.973 532 K CB 0.255 32.670 32.500 -0.141 0.000 0.767 532 K HN -0.098 nan 8.250 nan 0.000 0.475 533 S N 0.443 115.988 115.700 -0.258 0.000 2.511 533 S HA 0.053 4.523 4.470 0.000 0.000 0.214 533 S C 0.464 175.011 174.600 -0.090 0.000 0.997 533 S CA -0.449 57.604 58.200 -0.245 0.000 0.908 533 S CB 0.466 63.362 63.200 -0.506 0.000 0.803 533 S HN 0.347 nan 8.310 nan 0.000 0.504 534 S N 3.399 119.061 115.700 -0.063 0.000 2.568 534 S HA 0.238 4.709 4.470 0.000 0.000 0.282 534 S C -2.215 172.381 174.600 -0.007 0.000 1.338 534 S CA -1.086 57.107 58.200 -0.011 0.000 1.045 534 S CB 0.194 63.388 63.200 -0.009 0.000 0.873 534 S HN 0.189 nan 8.310 nan 0.000 0.516 535 P HA 0.278 nan 4.420 nan 0.000 0.277 535 P C -1.070 176.267 177.300 0.062 0.000 1.240 535 P CA -0.449 62.671 63.100 0.032 0.000 0.798 535 P CB 0.428 32.146 31.700 0.030 0.000 0.979 536 L N 1.806 123.084 121.223 0.092 0.000 2.312 536 L HA 0.313 4.653 4.340 0.000 0.000 0.281 536 L C 0.541 177.509 176.870 0.164 0.000 1.070 536 L CA -0.404 54.539 54.840 0.172 0.000 0.805 536 L CB 0.713 42.884 42.059 0.185 0.000 1.174 536 L HN 0.365 nan 8.230 nan 0.000 0.434 537 D N 1.902 122.413 120.400 0.185 0.000 2.427 537 D HA 0.196 4.836 4.640 0.000 0.000 0.226 537 D C 0.894 177.303 176.300 0.182 0.000 1.076 537 D CA -0.643 53.432 54.000 0.125 0.000 0.849 537 D CB 1.746 42.581 40.800 0.058 0.000 1.052 537 D HN 0.300 nan 8.370 nan 0.000 0.515 538 V N 2.389 122.422 119.914 0.198 0.000 2.453 538 V HA -0.236 3.884 4.120 0.000 0.000 0.252 538 V C 2.055 178.251 176.094 0.170 0.000 1.068 538 V CA 2.061 64.512 62.300 0.251 0.000 1.070 538 V CB -1.460 30.466 31.823 0.171 0.000 0.664 538 V HN 0.572 nan 8.190 nan 0.000 0.461 539 S N 0.637 116.388 115.700 0.084 0.000 2.420 539 S HA -0.167 4.304 4.470 0.000 0.000 0.237 539 S C 1.798 176.386 174.600 -0.020 0.000 1.023 539 S CA 1.699 59.922 58.200 0.038 0.000 0.991 539 S CB -0.988 62.225 63.200 0.022 0.000 0.792 539 S HN 0.532 nan 8.310 nan 0.000 0.488 540 V N -0.211 119.634 119.914 -0.114 0.000 2.809 540 V HA -0.014 4.107 4.120 0.000 0.000 0.256 540 V C 1.388 177.222 176.094 -0.434 0.000 1.080 540 V CA 1.200 63.310 62.300 -0.317 0.000 1.102 540 V CB -1.020 30.491 31.823 -0.520 0.000 0.705 540 V HN 0.596 nan 8.190 nan 0.000 0.475 541 Y N -0.844 119.499 120.300 0.072 0.000 2.507 541 Y HA 0.416 4.967 4.550 0.000 0.000 0.254 541 Y C 0.913 176.857 175.900 0.073 0.000 1.171 541 Y CA -1.113 57.032 58.100 0.076 0.000 1.238 541 Y CB 0.159 38.668 38.460 0.083 0.000 1.148 541 Y HN 0.157 nan 8.280 nan 0.000 0.525 542 E N 2.581 122.868 120.200 0.145 0.000 2.223 542 E HA 0.225 4.576 4.350 0.000 0.000 0.282 542 E C -2.698 173.962 176.600 0.101 0.000 1.046 542 E CA -2.708 53.765 56.400 0.121 0.000 0.857 542 E CB 0.585 30.337 29.700 0.088 0.000 1.055 542 E HN -0.001 nan 8.360 nan 0.000 0.409 543 P HA 0.103 nan 4.420 nan 0.000 0.268 543 P C -0.747 176.598 177.300 0.074 0.000 1.205 543 P CA 0.125 63.287 63.100 0.103 0.000 0.771 543 P CB 0.573 32.354 31.700 0.136 0.000 0.858 544 K N 1.586 122.015 120.400 0.048 0.000 2.676 544 K HA 0.356 4.676 4.320 0.000 0.000 0.205 544 K C 0.739 177.348 176.600 0.014 0.000 1.084 544 K CA 0.002 56.307 56.287 0.031 0.000 1.057 544 K CB 0.182 32.692 32.500 0.017 0.000 0.791 544 K HN 0.738 nan 8.250 nan 0.000 0.484 545 G N 1.440 110.252 108.800 0.019 0.000 2.136 545 G HA2 -0.288 3.672 3.960 0.000 0.000 0.242 545 G HA3 -0.288 3.672 3.960 0.000 0.000 0.242 545 G C 0.549 175.396 174.900 -0.089 0.000 0.989 545 G CA 0.364 45.460 45.100 -0.006 0.000 0.682 545 G HN 0.359 nan 8.290 nan 0.000 0.522 546 E N -0.604 119.529 120.200 -0.113 0.000 2.130 546 E HA 0.076 4.426 4.350 0.000 0.000 0.196 546 E C 1.752 178.094 176.600 -0.430 0.000 0.998 546 E CA 1.580 57.856 56.400 -0.207 0.000 0.806 546 E CB -0.027 29.571 29.700 -0.170 0.000 0.738 546 E HN 1.288 nan 8.360 nan 0.000 0.459 547 V N -1.468 118.130 119.914 -0.526 0.000 2.513 547 V HA 0.764 4.884 4.120 0.000 0.000 0.299 547 V C -0.250 175.472 176.094 -0.621 0.000 1.035 547 V CA -0.604 61.057 62.300 -1.064 0.000 0.889 547 V CB 1.943 32.852 31.823 -1.524 0.000 0.988 547 V HN 0.095 nan 8.190 nan 0.000 0.440 548 S N 2.969 118.263 115.700 -0.675 0.000 2.596 548 S HA 0.771 5.241 4.470 0.000 0.000 0.270 548 S C -1.582 172.871 174.600 -0.246 0.000 1.155 548 S CA -0.751 57.331 58.200 -0.197 0.000 0.827 548 S CB 2.081 65.258 63.200 -0.038 0.000 1.130 548 S HN 0.927 nan 8.310 nan 0.000 0.467 549 W N 0.920 122.313 121.300 0.155 0.000 2.839 549 W HA 0.481 5.141 4.660 0.000 0.000 0.334 549 W C -0.325 176.253 176.519 0.099 0.000 1.064 549 W CA -0.494 56.943 57.345 0.152 0.000 1.236 549 W CB 2.248 31.812 29.460 0.173 0.000 1.405 549 W HN 0.753 nan 8.180 nan 0.000 0.478 550 Q N 0.000 119.952 119.800 0.253 0.000 2.315 550 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 550 Q CA 0.000 55.900 55.803 0.162 0.000 1.022 550 Q CB 0.000 28.795 28.738 0.095 0.000 1.108 550 Q HN 0.000 nan 8.270 nan 0.000 0.481