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 3kjr_1_B DATA FIRST_RESID 5 DATA SEQUENCE YEGCGDLTIF VAVALNKVIG HKNQIPWPHI THDFRFLRNG TTYIPPEVLS DATA SEQUENCE KNPDIQNVVI FGRKTYESIP KASLPLKNRI NVILSRTVKE VPGCLVYEDL DATA SEQUENCE STAIRDLRAN VPHNKIFILG GSFLYKEVLD NGLCDKIYLT RLNKEYPGDT DATA SEQUENCE YFPDIPDTFE ITAISPTFST DFVSYDFVIY ERKXXXXXXX XXPFDQLLMT DATA SEQUENCE GTDISVPKPK YVACPGVRIR NHEEFQYLDI LADVLSHGVL KPNRTGTDAY DATA SEQUENCE SKFGYQMRFD LSRSFPLLTT KKVALRSIIE ELLWFIKGST NGNDLLAKNV DATA SEQUENCE RIWELNGRRD FLDKNGFTDR EEHDLGPIYG FQWRHFGAEY LDMHADYTGK DATA SEQUENCE GIDQLAEIIN RIKTNPNDRR LIVCSWNVSD LKKMALPPCH CFFQFYVSDN DATA SEQUENCE KLSCMMHQRS CDLGLGVPFN IASYSILTAM VAQVCGLGLG EFVHNLADAH DATA SEQUENCE IYVDHVDAVT TQIARIPHPF PRLRLNPDIR NIEDFTIDDI VVEDYVSHPP DATA SEQUENCE IPMA 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 5 Y HA 0.000 nan 4.550 nan 0.000 0.201 5 Y C 0.000 175.905 175.900 0.008 0.000 1.272 5 Y CA 0.000 58.106 58.100 0.010 0.000 1.940 5 Y CB 0.000 38.469 38.460 0.014 0.000 1.050 6 E N 0.660 120.914 120.200 0.090 0.000 2.417 6 E HA 0.424 4.777 4.350 0.006 0.000 0.261 6 E C 1.420 178.053 176.600 0.054 0.000 1.000 6 E CA 0.628 57.065 56.400 0.062 0.000 0.919 6 E CB -0.053 29.666 29.700 0.030 0.000 0.955 6 E HN 1.160 nan 8.360 nan 0.000 0.455 7 G N 0.882 109.714 108.800 0.053 0.000 2.184 7 G HA2 -0.321 3.642 3.960 0.006 0.000 0.264 7 G HA3 -0.321 3.642 3.960 0.006 0.000 0.264 7 G C 1.069 176.002 174.900 0.054 0.000 0.975 7 G CA 0.626 45.752 45.100 0.044 0.000 0.642 7 G HN 1.204 nan 8.290 nan 0.000 0.536 8 C N 1.664 121.014 119.300 0.084 0.000 2.614 8 C HA 0.606 5.070 4.460 0.006 0.000 0.299 8 C C 1.983 177.018 174.990 0.075 0.000 1.293 8 C CA -0.348 58.727 59.018 0.096 0.000 1.713 8 C CB -1.009 26.838 27.740 0.179 0.000 1.890 8 C HN 0.863 nan 8.230 nan 0.000 0.602 9 G N -0.275 108.559 108.800 0.056 0.000 2.563 9 G HA2 0.402 4.365 3.960 0.006 0.000 0.283 9 G HA3 0.402 4.365 3.960 0.006 0.000 0.283 9 G C -0.023 174.898 174.900 0.036 0.000 1.309 9 G CA 0.212 45.335 45.100 0.039 0.000 1.022 9 G HN 0.357 nan 8.290 nan 0.000 0.501 10 D N -1.940 118.481 120.400 0.036 0.000 2.716 10 D HA -0.157 4.486 4.640 0.006 0.000 0.239 10 D C 0.083 176.402 176.300 0.032 0.000 1.125 10 D CA 0.485 54.507 54.000 0.037 0.000 0.681 10 D CB -1.391 39.425 40.800 0.026 0.000 1.070 10 D HN 0.310 nan 8.370 nan 0.000 0.432 11 L N 0.149 121.403 121.223 0.052 0.000 2.312 11 L HA 0.466 4.809 4.340 0.006 0.000 0.281 11 L C 0.890 177.826 176.870 0.110 0.000 1.070 11 L CA -0.404 54.468 54.840 0.053 0.000 0.805 11 L CB 1.737 43.838 42.059 0.069 0.000 1.174 11 L HN -0.070 nan 8.230 nan 0.000 0.434 12 T N 3.872 118.495 114.554 0.116 0.000 2.779 12 T HA 0.535 4.888 4.350 0.006 0.000 0.280 12 T C -0.028 174.932 174.700 0.434 0.000 0.987 12 T CA -0.317 61.947 62.100 0.272 0.000 0.966 12 T CB 1.183 70.241 68.868 0.316 0.000 0.933 12 T HN 0.270 nan 8.240 nan 0.000 0.442 13 I N 3.176 123.971 120.570 0.374 0.000 2.396 13 I HA 0.414 4.588 4.170 0.006 0.000 0.292 13 I C -0.711 175.615 176.117 0.348 0.000 0.999 13 I CA -0.541 60.998 61.300 0.400 0.000 1.310 13 I CB 0.870 39.040 38.000 0.283 0.000 1.404 13 I HN 0.505 nan 8.210 nan 0.000 0.496 14 F N 5.722 125.881 119.950 0.347 0.000 2.482 14 F HA 0.675 5.205 4.527 0.005 0.000 0.331 14 F C -0.172 175.750 175.800 0.203 0.000 1.115 14 F CA -0.559 57.602 58.000 0.268 0.000 0.955 14 F CB 1.864 40.971 39.000 0.178 0.000 1.136 14 F HN 0.049 nan 8.300 nan 0.000 0.452 15 V N 2.604 122.629 119.914 0.184 0.000 3.077 15 V HA 0.854 4.977 4.120 0.006 0.000 0.299 15 V C -1.673 174.422 176.094 0.003 0.000 1.276 15 V CA -0.616 61.689 62.300 0.009 0.000 0.993 15 V CB 2.068 33.535 31.823 -0.593 0.000 1.076 15 V HN 0.891 nan 8.190 nan 0.000 0.434 16 A N 4.969 127.854 122.820 0.110 0.000 2.331 16 A HA 0.904 5.228 4.320 0.006 0.000 0.320 16 A C -1.293 176.385 177.584 0.156 0.000 1.138 16 A CA -0.509 51.601 52.037 0.121 0.000 0.790 16 A CB 1.691 20.861 19.000 0.283 0.000 1.206 16 A HN 1.197 nan 8.150 nan 0.000 0.470 17 V N 1.943 121.823 119.914 -0.057 0.000 2.525 17 V HA 0.637 4.760 4.120 0.006 0.000 0.299 17 V C 0.644 176.664 176.094 -0.124 0.000 1.034 17 V CA -0.475 61.819 62.300 -0.011 0.000 0.863 17 V CB 1.205 32.983 31.823 -0.075 0.000 0.999 17 V HN 1.287 nan 8.190 nan 0.000 0.423 18 A N 3.086 125.883 122.820 -0.038 0.000 2.327 18 A HA 0.503 4.826 4.320 0.006 0.000 0.255 18 A C 1.119 178.723 177.584 0.033 0.000 1.099 18 A CA -0.112 51.916 52.037 -0.015 0.000 0.801 18 A CB 0.176 19.334 19.000 0.264 0.000 1.062 18 A HN 0.974 nan 8.150 nan 0.000 0.496 19 L N 0.548 121.781 121.223 0.016 0.000 2.127 19 L HA -0.157 4.187 4.340 0.006 0.000 0.211 19 L C 1.765 178.659 176.870 0.039 0.000 1.089 19 L CA 2.433 57.273 54.840 0.000 0.000 0.757 19 L CB -0.601 41.431 42.059 -0.046 0.000 0.899 19 L HN 0.863 nan 8.230 nan 0.000 0.434 20 N N -0.716 118.029 118.700 0.074 0.000 2.362 20 N HA -0.077 4.667 4.740 0.006 0.000 0.204 20 N C 0.380 176.019 175.510 0.215 0.000 1.166 20 N CA 0.334 53.459 53.050 0.124 0.000 0.831 20 N CB -0.196 38.364 38.487 0.122 0.000 1.008 20 N HN 0.412 nan 8.380 nan 0.000 0.472 21 K N -1.942 118.570 120.400 0.187 0.000 3.547 21 K HA -0.131 4.192 4.320 0.006 0.000 0.309 21 K C -0.638 176.094 176.600 0.220 0.000 1.324 21 K CA 0.696 57.136 56.287 0.256 0.000 0.988 21 K CB -1.897 30.799 32.500 0.326 0.000 1.261 21 K HN 0.092 nan 8.250 nan 0.000 0.444 22 V N 2.186 122.124 119.914 0.040 0.000 2.637 22 V HA 0.039 4.162 4.120 0.006 0.000 0.296 22 V C 1.663 177.845 176.094 0.147 0.000 1.046 22 V CA 0.944 63.135 62.300 -0.181 0.000 1.066 22 V CB 0.843 32.559 31.823 -0.179 0.000 0.968 22 V HN 0.354 nan 8.190 nan 0.000 0.483 23 I N 1.528 122.159 120.570 0.102 0.000 4.456 23 I HA 0.623 4.796 4.170 0.006 0.000 0.329 23 I C 0.732 176.841 176.117 -0.014 0.000 1.313 23 I CA 0.192 61.608 61.300 0.193 0.000 1.205 23 I CB 0.810 38.978 38.000 0.280 0.000 1.179 23 I HN 0.607 nan 8.210 nan 0.000 0.419 24 G N 0.355 109.137 108.800 -0.030 0.000 2.690 24 G HA2 0.583 4.547 3.960 0.006 0.000 0.293 24 G HA3 0.583 4.547 3.960 0.006 0.000 0.293 24 G C -2.249 172.663 174.900 0.020 0.000 1.399 24 G CA -0.398 44.672 45.100 -0.051 0.000 0.890 24 G HN 0.318 nan 8.290 nan 0.000 0.485 25 H N 0.856 119.857 119.070 -0.114 0.000 3.224 25 H HA 0.343 4.902 4.556 0.006 0.000 0.331 25 H C 0.155 175.447 175.328 -0.061 0.000 1.002 25 H CA -0.780 55.224 56.048 -0.074 0.000 1.473 25 H CB 0.854 30.569 29.762 -0.078 0.000 1.830 25 H HN 0.520 nan 8.280 nan 0.000 0.485 26 K N 3.854 124.083 120.400 -0.285 0.000 3.148 26 K HA -0.315 4.008 4.320 0.006 0.000 0.267 26 K C 0.163 176.673 176.600 -0.150 0.000 0.996 26 K CA 0.923 57.056 56.287 -0.258 0.000 0.737 26 K CB -1.688 30.570 32.500 -0.402 0.000 1.308 26 K HN 0.968 nan 8.250 nan 0.000 0.470 27 N N -0.155 118.494 118.700 -0.084 0.000 2.741 27 N HA -0.210 4.534 4.740 0.006 0.000 0.250 27 N C -0.810 174.649 175.510 -0.084 0.000 1.115 27 N CA 2.066 55.079 53.050 -0.061 0.000 0.724 27 N CB -0.266 38.188 38.487 -0.055 0.000 1.090 27 N HN 0.725 nan 8.380 nan 0.000 0.558 28 Q N -0.664 119.071 119.800 -0.109 0.000 2.495 28 Q HA 0.527 4.870 4.340 0.006 0.000 0.287 28 Q C -0.279 175.597 176.000 -0.207 0.000 1.078 28 Q CA -1.057 54.663 55.803 -0.139 0.000 0.793 28 Q CB 1.287 29.944 28.738 -0.136 0.000 1.459 28 Q HN 0.021 nan 8.270 nan 0.000 0.422 29 I N 2.641 123.029 120.570 -0.302 0.000 2.668 29 I HA -0.021 4.152 4.170 0.006 0.000 0.285 29 I C -1.579 174.145 176.117 -0.654 0.000 1.168 29 I CA -1.617 59.317 61.300 -0.611 0.000 1.424 29 I CB -0.050 37.561 38.000 -0.647 0.000 1.377 29 I HN 0.526 nan 8.210 nan 0.000 0.560 30 P HA -0.055 nan 4.420 nan 0.000 0.225 30 P C -0.564 176.467 177.300 -0.448 0.000 1.156 30 P CA 0.788 63.636 63.100 -0.420 0.000 0.787 30 P CB 0.132 31.693 31.700 -0.231 0.000 0.802 31 W N -1.207 119.761 121.300 -0.554 0.000 2.578 31 W HA 0.681 5.345 4.660 0.006 0.000 0.353 31 W C -2.745 173.534 176.519 -0.399 0.000 1.088 31 W CA -3.180 53.710 57.345 -0.758 0.000 1.235 31 W CB -1.287 27.536 29.460 -1.062 0.000 1.362 31 W HN -0.350 nan 8.180 nan 0.000 0.592 32 P HA -0.072 nan 4.420 nan 0.000 0.268 32 P C -0.582 176.737 177.300 0.032 0.000 1.208 32 P CA 0.125 63.043 63.100 -0.303 0.000 0.777 32 P CB 0.294 31.473 31.700 -0.869 0.000 0.875 33 H N 1.682 120.760 119.070 0.014 0.000 3.034 33 H HA 0.118 4.678 4.556 0.006 0.000 0.324 33 H C -0.233 175.265 175.328 0.282 0.000 1.015 33 H CA 0.656 56.782 56.048 0.129 0.000 1.429 33 H CB -0.329 29.471 29.762 0.063 0.000 1.429 33 H HN 0.223 nan 8.280 nan 0.000 0.585 34 I N 5.837 126.300 120.570 -0.179 0.000 2.388 34 I HA 0.032 4.206 4.170 0.006 0.000 0.281 34 I C 1.160 177.103 176.117 -0.291 0.000 1.046 34 I CA -0.280 60.950 61.300 -0.117 0.000 1.187 34 I CB 1.328 39.191 38.000 -0.227 0.000 1.351 34 I HN 0.751 nan 8.210 nan 0.000 0.472 35 T N 2.208 116.723 114.554 -0.065 0.000 2.759 35 T HA -0.250 4.104 4.350 0.006 0.000 0.269 35 T C 1.833 176.619 174.700 0.143 0.000 1.042 35 T CA 1.684 63.841 62.100 0.096 0.000 1.140 35 T CB -0.354 68.656 68.868 0.236 0.000 0.864 35 T HN 0.599 nan 8.240 nan 0.000 0.455 36 H N 0.245 119.335 119.070 0.034 0.000 2.387 36 H HA -0.142 4.418 4.556 0.006 0.000 0.299 36 H C 2.289 177.725 175.328 0.180 0.000 1.099 36 H CA 1.438 57.545 56.048 0.099 0.000 1.315 36 H CB 0.042 29.890 29.762 0.144 0.000 1.380 36 H HN 0.286 nan 8.280 nan 0.000 0.513 37 D N -0.618 119.854 120.400 0.120 0.000 2.149 37 D HA -0.152 4.492 4.640 0.006 0.000 0.201 37 D C 2.468 178.868 176.300 0.166 0.000 0.972 37 D CA 1.340 55.441 54.000 0.167 0.000 0.835 37 D CB -0.483 40.341 40.800 0.041 0.000 0.966 37 D HN 0.379 nan 8.370 nan 0.000 0.476 38 F N 1.016 121.014 119.950 0.080 0.000 2.095 38 F HA -0.109 4.421 4.527 0.006 0.000 0.298 38 F C 2.677 178.531 175.800 0.091 0.000 1.104 38 F CA 1.909 59.972 58.000 0.104 0.000 1.232 38 F CB -1.089 38.011 39.000 0.166 0.000 0.987 38 F HN 0.031 nan 8.300 nan 0.000 0.475 39 R N -1.194 119.373 120.500 0.111 0.000 2.092 39 R HA -0.053 4.291 4.340 0.006 0.000 0.231 39 R C 2.263 178.567 176.300 0.007 0.000 1.119 39 R CA 1.605 57.746 56.100 0.069 0.000 0.970 39 R CB -0.949 29.419 30.300 0.114 0.000 0.864 39 R HN 0.626 nan 8.270 nan 0.000 0.440 40 F N 1.496 121.366 119.950 -0.133 0.000 2.075 40 F HA -0.228 4.302 4.527 0.006 0.000 0.297 40 F C 2.123 177.783 175.800 -0.233 0.000 1.113 40 F CA 1.384 59.215 58.000 -0.282 0.000 1.218 40 F CB -0.309 38.350 39.000 -0.567 0.000 0.984 40 F HN -0.079 nan 8.300 nan 0.000 0.472 41 L N 0.813 122.047 121.223 0.018 0.000 2.012 41 L HA -0.202 4.142 4.340 0.006 0.000 0.210 41 L C 2.724 179.280 176.870 -0.523 0.000 1.073 41 L CA 1.772 56.434 54.840 -0.298 0.000 0.748 41 L CB -0.802 41.219 42.059 -0.062 0.000 0.891 41 L HN 0.114 nan 8.230 nan 0.000 0.431 42 R N -0.239 120.093 120.500 -0.280 0.000 2.083 42 R HA -0.188 4.156 4.340 0.006 0.000 0.237 42 R C 1.999 178.112 176.300 -0.312 0.000 1.137 42 R CA 1.954 57.905 56.100 -0.248 0.000 0.951 42 R CB -0.594 29.638 30.300 -0.114 0.000 0.851 42 R HN 0.497 nan 8.270 nan 0.000 0.434 43 N N -0.113 118.394 118.700 -0.321 0.000 2.120 43 N HA -0.105 4.639 4.740 0.006 0.000 0.188 43 N C 1.752 177.006 175.510 -0.427 0.000 1.024 43 N CA 1.553 54.413 53.050 -0.316 0.000 0.852 43 N CB -0.802 37.505 38.487 -0.301 0.000 1.003 43 N HN 0.408 nan 8.380 nan 0.000 0.424 44 G N -0.047 108.340 108.800 -0.689 0.000 2.422 44 G HA2 -0.206 3.757 3.960 0.006 0.000 0.218 44 G HA3 -0.206 3.757 3.960 0.006 0.000 0.218 44 G C 1.377 175.748 174.900 -0.881 0.000 1.146 44 G CA 1.654 46.299 45.100 -0.759 0.000 0.769 44 G HN 0.514 nan 8.290 nan 0.000 0.547 45 T N -2.129 111.777 114.554 -1.081 0.000 3.122 45 T HA 0.152 4.505 4.350 0.006 0.000 0.250 45 T C 1.758 176.196 174.700 -0.436 0.000 1.067 45 T CA 1.212 62.622 62.100 -1.151 0.000 0.966 45 T CB 0.220 68.409 68.868 -1.131 0.000 1.002 45 T HN 0.279 nan 8.240 nan 0.000 0.542 46 T N -2.384 112.014 114.554 -0.260 0.000 3.003 46 T HA 0.250 4.603 4.350 0.006 0.000 0.261 46 T C 0.207 174.908 174.700 0.001 0.000 1.003 46 T CA -0.626 61.418 62.100 -0.093 0.000 0.917 46 T CB -0.621 68.193 68.868 -0.091 0.000 1.084 46 T HN 0.423 nan 8.240 nan 0.000 0.522 47 Y N 3.454 123.698 120.300 -0.093 0.000 2.544 47 Y HA 0.485 5.038 4.550 0.005 0.000 0.330 47 Y C -0.512 175.413 175.900 0.043 0.000 1.136 47 Y CA -1.399 56.684 58.100 -0.028 0.000 1.417 47 Y CB 0.208 38.645 38.460 -0.039 0.000 1.229 47 Y HN 0.112 nan 8.280 nan 0.000 0.532 48 I N 8.882 129.029 120.570 -0.705 0.000 2.436 48 I HA 0.280 4.454 4.170 0.006 0.000 0.289 48 I C -2.492 173.042 176.117 -0.971 0.000 1.010 48 I CA -2.539 58.380 61.300 -0.636 0.000 1.098 48 I CB 1.548 39.392 38.000 -0.260 0.000 1.266 48 I HN 0.536 nan 8.210 nan 0.000 0.434 49 P HA 0.132 nan 4.420 nan 0.000 0.262 49 P C -2.110 175.088 177.300 -0.169 0.000 1.199 49 P CA -0.964 61.928 63.100 -0.348 0.000 0.763 49 P CB 0.189 31.855 31.700 -0.056 0.000 0.790 50 P HA -0.275 nan 4.420 nan 0.000 0.222 50 P C 1.572 178.855 177.300 -0.030 0.000 1.157 50 P CA 1.895 64.975 63.100 -0.034 0.000 0.905 50 P CB -0.117 31.595 31.700 0.021 0.000 0.792 51 E N -0.531 119.659 120.200 -0.015 0.000 2.208 51 E HA -0.085 4.268 4.350 0.006 0.000 0.193 51 E C 1.883 178.469 176.600 -0.023 0.000 0.988 51 E CA 1.109 57.503 56.400 -0.011 0.000 0.828 51 E CB -1.311 28.390 29.700 0.003 0.000 0.763 51 E HN 0.111 nan 8.360 nan 0.000 0.478 52 V N 1.311 121.202 119.914 -0.039 0.000 2.323 52 V HA -0.193 3.930 4.120 0.006 0.000 0.244 52 V C 2.551 178.615 176.094 -0.051 0.000 1.041 52 V CA 1.472 63.744 62.300 -0.047 0.000 1.025 52 V CB -0.538 31.247 31.823 -0.063 0.000 0.656 52 V HN 0.176 nan 8.190 nan 0.000 0.451 53 L N 0.938 122.121 121.223 -0.067 0.000 2.141 53 L HA -0.121 4.222 4.340 0.006 0.000 0.209 53 L C 2.585 179.435 176.870 -0.034 0.000 1.094 53 L CA 2.179 56.985 54.840 -0.056 0.000 0.763 53 L CB -0.458 41.559 42.059 -0.071 0.000 0.908 53 L HN 0.504 nan 8.230 nan 0.000 0.437 54 S N -0.782 114.902 115.700 -0.027 0.000 2.481 54 S HA -0.168 4.306 4.470 0.006 0.000 0.231 54 S C 1.796 176.388 174.600 -0.013 0.000 0.996 54 S CA 0.850 59.041 58.200 -0.016 0.000 0.942 54 S CB -0.469 62.724 63.200 -0.010 0.000 0.768 54 S HN 0.724 nan 8.310 nan 0.000 0.520 55 K N 1.486 121.876 120.400 -0.016 0.000 2.323 55 K HA 0.121 4.445 4.320 0.006 0.000 0.197 55 K C -0.386 176.206 176.600 -0.013 0.000 1.043 55 K CA 0.314 56.594 56.287 -0.013 0.000 0.997 55 K CB -0.202 32.290 32.500 -0.013 0.000 0.807 55 K HN 0.501 nan 8.250 nan 0.000 0.497 56 N N 0.397 119.087 118.700 -0.016 0.000 2.629 56 N HA 0.147 4.890 4.740 0.006 0.000 0.277 56 N C -2.642 172.859 175.510 -0.015 0.000 1.188 56 N CA -1.851 51.191 53.050 -0.013 0.000 0.835 56 N CB 1.592 40.072 38.487 -0.012 0.000 1.420 56 N HN -0.187 nan 8.380 nan 0.000 0.542 57 P HA -0.033 nan 4.420 nan 0.000 0.234 57 P C -0.090 177.204 177.300 -0.010 0.000 1.167 57 P CA 0.674 63.766 63.100 -0.014 0.000 0.763 57 P CB 0.525 32.219 31.700 -0.010 0.000 0.835 58 D N -0.082 120.314 120.400 -0.005 0.000 2.234 58 D HA 0.009 4.652 4.640 0.006 0.000 0.205 58 D C 1.132 177.435 176.300 0.005 0.000 0.962 58 D CA 0.121 54.122 54.000 0.002 0.000 0.855 58 D CB -0.335 40.468 40.800 0.005 0.000 0.951 58 D HN 0.237 nan 8.370 nan 0.000 0.500 59 I N 1.304 121.874 120.570 -0.000 0.000 2.775 59 I HA -0.145 4.029 4.170 0.006 0.000 0.290 59 I C 0.026 176.153 176.117 0.016 0.000 1.203 59 I CA 0.690 61.994 61.300 0.007 0.000 1.433 59 I CB 0.256 38.250 38.000 -0.010 0.000 1.354 59 I HN -0.104 nan 8.210 nan 0.000 0.579 60 Q N 5.384 125.212 119.800 0.047 0.000 2.451 60 Q HA 0.418 4.761 4.340 0.006 0.000 0.281 60 Q C -1.089 174.976 176.000 0.108 0.000 1.099 60 Q CA -1.094 54.746 55.803 0.061 0.000 0.806 60 Q CB 1.790 30.562 28.738 0.055 0.000 1.419 60 Q HN 0.596 nan 8.270 nan 0.000 0.427 61 N N 0.125 118.897 118.700 0.120 0.000 2.513 61 N HA 0.278 5.021 4.740 0.006 0.000 0.274 61 N C -0.890 174.699 175.510 0.132 0.000 1.189 61 N CA -0.098 53.063 53.050 0.186 0.000 0.975 61 N CB 1.234 39.910 38.487 0.315 0.000 1.157 61 N HN 0.198 nan 8.380 nan 0.000 0.465 62 V N 1.493 121.454 119.914 0.078 0.000 2.481 62 V HA 0.321 4.444 4.120 0.006 0.000 0.286 62 V C 0.188 176.316 176.094 0.057 0.000 1.042 62 V CA -0.584 61.707 62.300 -0.016 0.000 0.928 62 V CB 1.732 33.416 31.823 -0.232 0.000 0.986 62 V HN 0.263 nan 8.190 nan 0.000 0.462 63 V N 6.397 126.302 119.914 -0.016 0.000 2.483 63 V HA 0.513 4.637 4.120 0.006 0.000 0.297 63 V C -0.365 175.511 176.094 -0.364 0.000 1.027 63 V CA -0.321 61.893 62.300 -0.144 0.000 0.855 63 V CB 1.773 33.500 31.823 -0.160 0.000 0.995 63 V HN 0.669 nan 8.190 nan 0.000 0.424 64 I N 5.649 125.969 120.570 -0.418 0.000 2.404 64 I HA 0.581 4.755 4.170 0.006 0.000 0.293 64 I C -0.987 174.834 176.117 -0.493 0.000 0.992 64 I CA -0.332 60.769 61.300 -0.332 0.000 1.149 64 I CB 1.686 39.620 38.000 -0.111 0.000 1.315 64 I HN 0.425 nan 8.210 nan 0.000 0.446 65 F N 2.468 122.443 119.950 0.041 0.000 2.593 65 F HA 0.669 5.200 4.527 0.006 0.000 0.320 65 F C 0.882 176.683 175.800 0.002 0.000 1.060 65 F CA -0.863 57.144 58.000 0.012 0.000 0.940 65 F CB 1.333 40.341 39.000 0.013 0.000 1.268 65 F HN 0.392 nan 8.300 nan 0.000 0.475 66 G N 0.429 109.335 108.800 0.177 0.000 2.634 66 G HA2 0.219 4.183 3.960 0.006 0.000 0.255 66 G HA3 0.219 4.183 3.960 0.006 0.000 0.255 66 G C 0.724 175.671 174.900 0.078 0.000 1.205 66 G CA -0.497 44.660 45.100 0.094 0.000 0.884 66 G HN 0.822 nan 8.290 nan 0.000 0.549 67 R N 0.347 120.854 120.500 0.011 0.000 2.083 67 R HA -0.109 4.235 4.340 0.006 0.000 0.237 67 R C 2.983 179.259 176.300 -0.040 0.000 1.137 67 R CA 2.278 58.366 56.100 -0.019 0.000 0.951 67 R CB -0.492 29.780 30.300 -0.047 0.000 0.851 67 R HN 0.533 nan 8.270 nan 0.000 0.434 68 K N -0.221 120.153 120.400 -0.044 0.000 2.147 68 K HA -0.089 4.235 4.320 0.006 0.000 0.205 68 K C 2.005 178.585 176.600 -0.035 0.000 1.049 68 K CA 1.996 58.259 56.287 -0.040 0.000 0.936 68 K CB -1.332 31.152 32.500 -0.028 0.000 0.722 68 K HN 0.416 nan 8.250 nan 0.000 0.446 69 T N -0.827 113.724 114.554 -0.006 0.000 2.821 69 T HA -0.019 4.335 4.350 0.006 0.000 0.267 69 T C 2.244 176.861 174.700 -0.139 0.000 1.046 69 T CA 1.745 63.842 62.100 -0.005 0.000 1.139 69 T CB -0.671 68.266 68.868 0.115 0.000 0.871 69 T HN 0.670 nan 8.240 nan 0.000 0.454 70 Y N 1.009 121.188 120.300 -0.201 0.000 2.145 70 Y HA -0.007 4.546 4.550 0.006 0.000 0.286 70 Y C 2.762 178.524 175.900 -0.231 0.000 1.145 70 Y CA 1.906 59.789 58.100 -0.362 0.000 1.148 70 Y CB -1.452 36.854 38.460 -0.258 0.000 0.981 70 Y HN 0.559 nan 8.280 nan 0.000 0.507 71 E N 0.427 120.542 120.200 -0.141 0.000 2.409 71 E HA -0.055 4.298 4.350 0.006 0.000 0.198 71 E C 2.097 178.636 176.600 -0.102 0.000 1.024 71 E CA 1.670 58.005 56.400 -0.108 0.000 0.861 71 E CB -1.066 28.586 29.700 -0.080 0.000 0.788 71 E HN 1.065 nan 8.360 nan 0.000 0.521 72 S N -0.808 114.828 115.700 -0.107 0.000 2.458 72 S HA 0.329 4.802 4.470 0.006 0.000 0.223 72 S C 1.392 175.932 174.600 -0.100 0.000 1.019 72 S CA 0.366 58.511 58.200 -0.092 0.000 0.937 72 S CB -0.739 62.417 63.200 -0.072 0.000 0.788 72 S HN 1.133 nan 8.310 nan 0.000 0.511 73 I N 2.587 123.077 120.570 -0.133 0.000 2.556 73 I HA 0.617 4.790 4.170 0.006 0.000 0.284 73 I C -2.273 173.779 176.117 -0.109 0.000 1.114 73 I CA -2.583 58.641 61.300 -0.125 0.000 1.418 73 I CB -0.974 36.914 38.000 -0.186 0.000 1.394 73 I HN 0.137 nan 8.210 nan 0.000 0.552 74 P HA 0.220 nan 4.420 nan 0.000 0.260 74 P C 1.113 178.368 177.300 -0.075 0.000 1.172 74 P CA 0.875 63.930 63.100 -0.074 0.000 0.760 74 P CB 0.255 31.916 31.700 -0.066 0.000 0.773 75 K N 2.833 123.191 120.400 -0.070 0.000 2.442 75 K HA -0.111 4.212 4.320 0.006 0.000 0.199 75 K C 1.667 178.234 176.600 -0.055 0.000 1.044 75 K CA 1.892 58.139 56.287 -0.066 0.000 0.941 75 K CB -1.101 31.364 32.500 -0.058 0.000 0.759 75 K HN 0.580 nan 8.250 nan 0.000 0.472 76 A N 1.529 124.318 122.820 -0.050 0.000 1.889 76 A HA 0.044 4.368 4.320 0.006 0.000 0.209 76 A C 2.039 179.601 177.584 -0.038 0.000 1.315 76 A CA 1.602 53.615 52.037 -0.041 0.000 0.611 76 A CB -0.814 18.163 19.000 -0.039 0.000 0.950 76 A HN 0.999 nan 8.150 nan 0.000 0.477 77 S N -0.076 115.602 115.700 -0.036 0.000 3.697 77 S HA 0.262 4.735 4.470 0.006 0.000 0.207 77 S C 0.877 175.456 174.600 -0.035 0.000 1.459 77 S CA 0.066 58.249 58.200 -0.028 0.000 1.122 77 S CB -0.135 63.053 63.200 -0.020 0.000 1.311 77 S HN 0.485 nan 8.310 nan 0.000 0.487 78 L N 1.872 123.065 121.223 -0.050 0.000 1.994 78 L HA 0.244 4.588 4.340 0.006 0.000 0.208 78 L C -2.000 174.845 176.870 -0.043 0.000 1.071 78 L CA 1.131 55.925 54.840 -0.078 0.000 0.745 78 L CB -1.447 40.552 42.059 -0.100 0.000 0.892 78 L HN 0.263 nan 8.230 nan 0.000 0.431 79 P HA 0.038 nan 4.420 nan 0.000 0.263 79 P C -0.836 176.486 177.300 0.037 0.000 1.247 79 P CA 0.340 63.456 63.100 0.026 0.000 0.876 79 P CB -0.176 31.535 31.700 0.019 0.000 0.928 80 L N 1.812 123.079 121.223 0.073 0.000 2.534 80 L HA 0.119 4.462 4.340 0.006 0.000 0.271 80 L C 1.416 178.310 176.870 0.039 0.000 1.178 80 L CA -0.182 54.697 54.840 0.065 0.000 0.907 80 L CB -0.590 41.536 42.059 0.113 0.000 1.164 80 L HN 0.295 nan 8.230 nan 0.000 0.482 81 K N 3.367 123.778 120.400 0.018 0.000 2.484 81 K HA -0.002 4.322 4.320 0.006 0.000 0.280 81 K C 0.908 177.511 176.600 0.004 0.000 1.013 81 K CA 0.130 56.423 56.287 0.010 0.000 1.029 81 K CB -0.291 32.211 32.500 0.003 0.000 0.902 81 K HN 0.851 nan 8.250 nan 0.000 0.481 82 N N 0.018 118.723 118.700 0.009 0.000 2.882 82 N HA -0.142 4.601 4.740 0.006 0.000 0.249 82 N C -0.682 174.835 175.510 0.012 0.000 1.079 82 N CA 1.378 54.432 53.050 0.006 0.000 0.800 82 N CB -0.959 37.524 38.487 -0.006 0.000 1.124 82 N HN 0.809 nan 8.380 nan 0.000 0.557 83 R N -0.251 120.265 120.500 0.025 0.000 2.740 83 R HA 0.561 4.905 4.340 0.006 0.000 0.273 83 R C -0.195 176.138 176.300 0.055 0.000 0.998 83 R CA -0.701 55.422 56.100 0.039 0.000 0.900 83 R CB 1.616 31.933 30.300 0.027 0.000 1.223 83 R HN 0.008 nan 8.270 nan 0.000 0.466 84 I N 2.316 122.922 120.570 0.060 0.000 2.379 84 I HA 0.093 4.266 4.170 0.006 0.000 0.290 84 I C -0.096 176.067 176.117 0.076 0.000 1.063 84 I CA 0.150 61.488 61.300 0.064 0.000 1.351 84 I CB 0.424 38.457 38.000 0.055 0.000 1.410 84 I HN 0.342 nan 8.210 nan 0.000 0.505 85 N N 6.235 125.003 118.700 0.114 0.000 2.434 85 N HA 0.412 5.155 4.740 0.006 0.000 0.272 85 N C -1.049 174.573 175.510 0.187 0.000 1.040 85 N CA -0.441 52.727 53.050 0.197 0.000 0.956 85 N CB 2.325 40.967 38.487 0.258 0.000 1.108 85 N HN 0.212 nan 8.380 nan 0.000 0.481 86 V N 3.631 123.664 119.914 0.198 0.000 2.588 86 V HA 0.493 4.617 4.120 0.006 0.000 0.304 86 V C -0.077 176.179 176.094 0.270 0.000 1.042 86 V CA -0.846 61.576 62.300 0.203 0.000 0.877 86 V CB 1.965 33.878 31.823 0.150 0.000 0.996 86 V HN 0.578 nan 8.190 nan 0.000 0.425 87 I N 5.223 125.941 120.570 0.247 0.000 2.569 87 I HA 0.715 4.889 4.170 0.006 0.000 0.296 87 I C -1.482 174.739 176.117 0.173 0.000 1.028 87 I CA -0.650 60.789 61.300 0.231 0.000 1.082 87 I CB 1.870 39.972 38.000 0.171 0.000 1.264 87 I HN 0.531 nan 8.210 nan 0.000 0.429 88 L N 6.245 127.555 121.223 0.144 0.000 2.346 88 L HA 0.775 5.118 4.340 0.006 0.000 0.274 88 L C -0.249 176.657 176.870 0.060 0.000 1.007 88 L CA -0.640 54.269 54.840 0.115 0.000 0.818 88 L CB 1.664 43.789 42.059 0.110 0.000 1.284 88 L HN 0.747 nan 8.230 nan 0.000 0.424 89 S N 0.331 116.058 115.700 0.045 0.000 2.580 89 S HA 0.548 5.022 4.470 0.006 0.000 0.281 89 S C -0.069 174.535 174.600 0.006 0.000 1.129 89 S CA 0.014 58.217 58.200 0.004 0.000 0.862 89 S CB 1.702 64.895 63.200 -0.010 0.000 1.090 89 S HN 0.730 nan 8.310 nan 0.000 0.451 90 R N 0.896 121.390 120.500 -0.011 0.000 2.359 90 R HA 0.344 4.687 4.340 0.006 0.000 0.231 90 R C 1.487 177.779 176.300 -0.015 0.000 0.913 90 R CA 1.288 57.384 56.100 -0.006 0.000 1.075 90 R CB -1.088 29.209 30.300 -0.005 0.000 1.087 90 R HN 0.953 nan 8.270 nan 0.000 0.515 91 T N -4.995 109.545 114.554 -0.023 0.000 3.174 91 T HA 0.273 4.626 4.350 0.006 0.000 0.252 91 T C 0.844 175.530 174.700 -0.023 0.000 0.984 91 T CA 0.462 62.547 62.100 -0.025 0.000 1.113 91 T CB -0.450 68.397 68.868 -0.033 0.000 1.088 91 T HN 0.109 nan 8.240 nan 0.000 0.442 92 V N 2.909 122.808 119.914 -0.025 0.000 2.715 92 V HA 0.575 4.698 4.120 0.006 0.000 0.299 92 V C 1.540 177.620 176.094 -0.023 0.000 1.054 92 V CA 0.742 63.027 62.300 -0.025 0.000 1.077 92 V CB 0.873 32.679 31.823 -0.028 0.000 0.972 92 V HN 0.792 nan 8.190 nan 0.000 0.484 93 K N 4.365 124.749 120.400 -0.026 0.000 1.992 93 K HA 0.434 4.757 4.320 0.006 0.000 0.210 93 K C 0.785 177.363 176.600 -0.037 0.000 1.036 93 K CA 1.617 57.886 56.287 -0.030 0.000 0.946 93 K CB -0.738 31.745 32.500 -0.027 0.000 0.742 93 K HN 1.313 nan 8.250 nan 0.000 0.442 94 E N -1.012 119.167 120.200 -0.036 0.000 2.366 94 E HA 0.589 4.942 4.350 0.006 0.000 0.278 94 E C -1.440 175.140 176.600 -0.032 0.000 0.923 94 E CA -0.338 56.038 56.400 -0.040 0.000 0.761 94 E CB 1.909 31.583 29.700 -0.044 0.000 1.231 94 E HN 0.489 nan 8.360 nan 0.000 0.443 95 V N 2.609 122.506 119.914 -0.028 0.000 2.495 95 V HA 0.553 4.677 4.120 0.006 0.000 0.298 95 V C -2.257 173.826 176.094 -0.019 0.000 1.031 95 V CA -2.022 60.264 62.300 -0.024 0.000 0.871 95 V CB 1.691 33.502 31.823 -0.019 0.000 0.988 95 V HN 0.758 nan 8.190 nan 0.000 0.432 96 P HA 0.008 nan 4.420 nan 0.000 0.238 96 P C 0.918 178.213 177.300 -0.009 0.000 1.090 96 P CA 1.674 64.764 63.100 -0.017 0.000 0.944 96 P CB -0.329 31.358 31.700 -0.022 0.000 0.881 97 G N 1.752 110.550 108.800 -0.004 0.000 2.198 97 G HA2 -0.239 3.725 3.960 0.006 0.000 0.257 97 G HA3 -0.239 3.725 3.960 0.006 0.000 0.257 97 G C -0.013 174.899 174.900 0.021 0.000 1.042 97 G CA -0.221 44.883 45.100 0.006 0.000 0.791 97 G HN 0.649 nan 8.290 nan 0.000 0.502 98 C N -0.096 119.215 119.300 0.019 0.000 2.686 98 C HA 0.624 5.088 4.460 0.006 0.000 0.318 98 C C 0.584 175.589 174.990 0.025 0.000 1.160 98 C CA -1.269 57.776 59.018 0.044 0.000 1.396 98 C CB 1.335 29.112 27.740 0.061 0.000 1.924 98 C HN 0.495 nan 8.230 nan 0.000 0.471 99 L N 2.767 124.018 121.223 0.047 0.000 2.410 99 L HA 0.458 4.801 4.340 0.006 0.000 0.273 99 L C -0.240 176.617 176.870 -0.022 0.000 1.144 99 L CA 0.125 54.960 54.840 -0.009 0.000 0.863 99 L CB 0.253 42.373 42.059 0.102 0.000 1.140 99 L HN 0.426 nan 8.230 nan 0.000 0.463 100 V N 4.034 123.827 119.914 -0.203 0.000 2.495 100 V HA 0.458 4.581 4.120 0.006 0.000 0.298 100 V C -0.718 175.180 176.094 -0.326 0.000 1.031 100 V CA -0.635 61.588 62.300 -0.129 0.000 0.871 100 V CB 1.479 33.255 31.823 -0.079 0.000 0.988 100 V HN 0.428 nan 8.190 nan 0.000 0.432 101 Y N 1.087 121.400 120.300 0.021 0.000 2.536 101 Y HA 0.574 5.127 4.550 0.006 0.000 0.347 101 Y C 1.228 177.137 175.900 0.015 0.000 1.000 101 Y CA -0.235 57.875 58.100 0.017 0.000 1.051 101 Y CB 1.871 40.343 38.460 0.019 0.000 1.259 101 Y HN 0.634 nan 8.280 nan 0.000 0.468 102 E N 0.912 121.217 120.200 0.175 0.000 2.028 102 E HA -0.063 4.290 4.350 0.006 0.000 0.191 102 E C 0.241 176.897 176.600 0.094 0.000 0.988 102 E CA 2.020 58.478 56.400 0.097 0.000 0.799 102 E CB -0.280 29.460 29.700 0.067 0.000 0.755 102 E HN 0.698 nan 8.360 nan 0.000 0.447 103 D N -2.299 118.162 120.400 0.101 0.000 2.566 103 D HA 0.299 4.943 4.640 0.006 0.000 0.254 103 D C 0.846 177.183 176.300 0.061 0.000 1.090 103 D CA -0.452 53.594 54.000 0.077 0.000 1.034 103 D CB 1.335 42.167 40.800 0.052 0.000 1.434 103 D HN 0.124 nan 8.370 nan 0.000 0.509 104 L N 1.006 122.271 121.223 0.070 0.000 2.072 104 L HA -0.093 4.251 4.340 0.006 0.000 0.205 104 L C 2.375 179.265 176.870 0.034 0.000 1.079 104 L CA 1.990 56.865 54.840 0.058 0.000 0.752 104 L CB -0.856 41.276 42.059 0.122 0.000 0.906 104 L HN 0.591 nan 8.230 nan 0.000 0.436 105 S N -1.186 114.543 115.700 0.049 0.000 2.372 105 S HA -0.259 4.215 4.470 0.006 0.000 0.227 105 S C 1.873 176.436 174.600 -0.062 0.000 1.044 105 S CA 2.305 60.480 58.200 -0.042 0.000 1.050 105 S CB -0.546 62.497 63.200 -0.262 0.000 0.901 105 S HN 0.718 nan 8.310 nan 0.000 0.447 106 T N 1.624 116.143 114.554 -0.059 0.000 2.904 106 T HA 0.184 4.537 4.350 0.006 0.000 0.267 106 T C 2.084 176.675 174.700 -0.181 0.000 1.059 106 T CA 1.017 63.086 62.100 -0.052 0.000 1.137 106 T CB -0.652 68.234 68.868 0.031 0.000 0.879 106 T HN 0.498 nan 8.240 nan 0.000 0.467 107 A N 2.126 124.749 122.820 -0.329 0.000 1.883 107 A HA -0.059 4.264 4.320 0.006 0.000 0.217 107 A C 2.235 179.470 177.584 -0.582 0.000 1.186 107 A CA 1.206 52.714 52.037 -0.881 0.000 0.624 107 A CB -0.682 17.971 19.000 -0.577 0.000 0.822 107 A HN 0.376 nan 8.150 nan 0.000 0.444 108 I N -0.368 120.044 120.570 -0.263 0.000 2.202 108 I HA -0.180 3.993 4.170 0.006 0.000 0.242 108 I C 2.559 178.623 176.117 -0.088 0.000 1.091 108 I CA 1.403 62.618 61.300 -0.141 0.000 1.368 108 I CB -1.416 36.560 38.000 -0.040 0.000 1.058 108 I HN 0.350 nan 8.210 nan 0.000 0.410 109 R N 0.467 120.923 120.500 -0.073 0.000 2.096 109 R HA -0.206 4.137 4.340 0.006 0.000 0.235 109 R C 1.946 178.240 176.300 -0.011 0.000 1.127 109 R CA 1.794 57.879 56.100 -0.025 0.000 0.968 109 R CB -0.373 29.917 30.300 -0.016 0.000 0.861 109 R HN 0.358 nan 8.270 nan 0.000 0.440 110 D N 0.417 120.790 120.400 -0.046 0.000 2.144 110 D HA -0.096 4.547 4.640 0.006 0.000 0.200 110 D C 1.829 178.168 176.300 0.065 0.000 0.978 110 D CA 0.845 54.870 54.000 0.042 0.000 0.833 110 D CB 0.133 41.038 40.800 0.174 0.000 0.961 110 D HN 0.084 nan 8.370 nan 0.000 0.470 111 L N -0.301 120.919 121.223 -0.006 0.000 2.056 111 L HA -0.001 4.343 4.340 0.006 0.000 0.207 111 L C 2.547 179.538 176.870 0.202 0.000 1.078 111 L CA 0.913 55.796 54.840 0.071 0.000 0.749 111 L CB -0.259 41.740 42.059 -0.100 0.000 0.901 111 L HN -0.049 nan 8.230 nan 0.000 0.433 112 R N -0.444 120.154 120.500 0.163 0.000 2.236 112 R HA 0.042 4.386 4.340 0.006 0.000 0.208 112 R C 2.096 178.434 176.300 0.062 0.000 1.036 112 R CA 0.865 57.057 56.100 0.154 0.000 1.001 112 R CB -0.080 30.288 30.300 0.115 0.000 0.896 112 R HN 0.327 nan 8.270 nan 0.000 0.464 113 A N 0.490 123.345 122.820 0.058 0.000 2.014 113 A HA 0.060 4.383 4.320 0.006 0.000 0.210 113 A C 1.423 179.034 177.584 0.045 0.000 1.188 113 A CA 0.426 52.487 52.037 0.039 0.000 0.731 113 A CB 0.225 19.246 19.000 0.034 0.000 0.858 113 A HN 0.145 nan 8.150 nan 0.000 0.464 114 N N -0.624 118.117 118.700 0.068 0.000 2.564 114 N HA 0.116 4.859 4.740 0.006 0.000 0.202 114 N C -0.104 175.454 175.510 0.080 0.000 1.052 114 N CA 0.606 53.697 53.050 0.069 0.000 0.872 114 N CB 0.395 38.930 38.487 0.080 0.000 1.303 114 N HN 0.144 nan 8.380 nan 0.000 0.440 115 V N 5.007 124.993 119.914 0.121 0.000 2.364 115 V HA 0.270 4.394 4.120 0.006 0.000 0.272 115 V C -2.204 173.985 176.094 0.158 0.000 1.036 115 V CA -1.583 60.801 62.300 0.140 0.000 0.880 115 V CB 1.327 33.248 31.823 0.163 0.000 0.991 115 V HN 0.056 nan 8.190 nan 0.000 0.460 116 P HA 0.165 nan 4.420 nan 0.000 0.261 116 P C -0.798 176.564 177.300 0.103 0.000 1.203 116 P CA 0.524 63.648 63.100 0.039 0.000 0.767 116 P CB 0.046 31.760 31.700 0.024 0.000 0.785 117 H N 0.611 119.686 119.070 0.009 0.000 2.990 117 H HA 0.444 5.004 4.556 0.006 0.000 0.343 117 H C 0.287 175.614 175.328 -0.001 0.000 1.270 117 H CA -0.857 55.197 56.048 0.009 0.000 1.118 117 H CB 0.305 30.075 29.762 0.014 0.000 1.861 117 H HN 0.094 nan 8.280 nan 0.000 0.544 118 N N 0.058 118.834 118.700 0.126 0.000 2.418 118 N HA 0.112 4.855 4.740 0.006 0.000 0.199 118 N C -0.461 175.120 175.510 0.118 0.000 1.044 118 N CA 0.686 53.765 53.050 0.047 0.000 0.943 118 N CB 0.486 39.000 38.487 0.045 0.000 1.154 118 N HN 0.571 nan 8.380 nan 0.000 0.467 119 K N -0.416 120.095 120.400 0.185 0.000 2.469 119 K HA 0.472 4.796 4.320 0.006 0.000 0.254 119 K C -1.507 174.999 176.600 -0.155 0.000 0.939 119 K CA -0.564 55.713 56.287 -0.016 0.000 0.812 119 K CB 1.613 34.008 32.500 -0.174 0.000 1.301 119 K HN 0.065 nan 8.250 nan 0.000 0.433 120 I N 4.026 124.428 120.570 -0.281 0.000 2.336 120 I HA 0.334 4.507 4.170 0.006 0.000 0.292 120 I C -0.933 174.931 176.117 -0.421 0.000 0.991 120 I CA -0.579 60.551 61.300 -0.283 0.000 1.227 120 I CB 0.688 38.578 38.000 -0.182 0.000 1.366 120 I HN 0.405 nan 8.210 nan 0.000 0.466 121 F N 6.222 126.193 119.950 0.035 0.000 2.495 121 F HA 0.502 5.032 4.527 0.005 0.000 0.327 121 F C -0.030 175.797 175.800 0.044 0.000 1.103 121 F CA -0.828 57.234 58.000 0.104 0.000 0.949 121 F CB 1.519 40.578 39.000 0.099 0.000 1.142 121 F HN 0.109 nan 8.300 nan 0.000 0.457 122 I N 5.035 125.799 120.570 0.324 0.000 2.328 122 I HA 0.213 4.387 4.170 0.006 0.000 0.287 122 I C 0.248 176.541 176.117 0.292 0.000 1.012 122 I CA -0.019 61.410 61.300 0.215 0.000 1.195 122 I CB 1.211 39.363 38.000 0.254 0.000 1.350 122 I HN 0.720 nan 8.210 nan 0.000 0.464 123 L N 5.085 126.349 121.223 0.068 0.000 2.808 123 L HA 0.443 4.786 4.340 0.006 0.000 0.246 123 L C 0.755 177.724 176.870 0.165 0.000 1.153 123 L CA -0.021 54.898 54.840 0.130 0.000 0.956 123 L CB 0.564 42.556 42.059 -0.112 0.000 1.270 123 L HN 0.852 nan 8.230 nan 0.000 0.528 124 G N -1.079 107.654 108.800 -0.113 0.000 2.361 124 G HA2 0.365 4.328 3.960 0.006 0.000 0.305 124 G HA3 0.365 4.328 3.960 0.006 0.000 0.305 124 G C -0.461 174.268 174.900 -0.285 0.000 1.367 124 G CA -0.169 44.748 45.100 -0.305 0.000 0.951 124 G HN 0.246 nan 8.290 nan 0.000 0.615 125 G N -1.088 107.601 108.800 -0.186 0.000 3.409 125 G HA2 0.281 4.244 3.960 0.006 0.000 0.686 125 G HA3 0.281 4.244 3.960 0.006 0.000 0.686 125 G C 0.925 175.785 174.900 -0.066 0.000 1.017 125 G CA 0.481 45.563 45.100 -0.029 0.000 0.854 125 G HN 1.805 nan 8.290 nan 0.000 0.508 126 S N 1.421 117.258 115.700 0.229 0.000 2.387 126 S HA -0.149 4.324 4.470 0.006 0.000 0.230 126 S C 2.126 176.800 174.600 0.123 0.000 1.035 126 S CA 2.375 60.735 58.200 0.268 0.000 1.014 126 S CB -0.267 63.044 63.200 0.185 0.000 0.836 126 S HN 0.559 nan 8.310 nan 0.000 0.466 127 F N 0.668 120.653 119.950 0.058 0.000 2.102 127 F HA -0.090 4.441 4.527 0.006 0.000 0.298 127 F C 2.122 177.937 175.800 0.025 0.000 1.105 127 F CA 0.803 58.827 58.000 0.041 0.000 1.239 127 F CB -0.418 38.602 39.000 0.035 0.000 0.991 127 F HN 0.189 nan 8.300 nan 0.000 0.474 128 L N -1.105 120.214 121.223 0.161 0.000 2.109 128 L HA -0.170 4.173 4.340 0.006 0.000 0.207 128 L C 2.035 178.950 176.870 0.076 0.000 1.086 128 L CA 1.669 56.546 54.840 0.063 0.000 0.760 128 L CB -1.074 40.969 42.059 -0.027 0.000 0.910 128 L HN 0.056 nan 8.230 nan 0.000 0.437 129 Y N 0.101 120.478 120.300 0.128 0.000 2.165 129 Y HA -0.270 4.283 4.550 0.006 0.000 0.286 129 Y C 2.676 178.545 175.900 -0.052 0.000 1.155 129 Y CA 1.623 59.764 58.100 0.068 0.000 1.164 129 Y CB -0.944 37.573 38.460 0.095 0.000 0.978 129 Y HN 0.172 nan 8.280 nan 0.000 0.513 130 K N 0.598 121.057 120.400 0.098 0.000 1.991 130 K HA -0.240 4.084 4.320 0.006 0.000 0.212 130 K C 2.166 178.763 176.600 -0.004 0.000 1.049 130 K CA 2.000 58.278 56.287 -0.015 0.000 0.932 130 K CB -0.383 32.085 32.500 -0.052 0.000 0.717 130 K HN 0.394 nan 8.250 nan 0.000 0.441 131 E N -0.488 119.735 120.200 0.038 0.000 2.058 131 E HA -0.182 4.171 4.350 0.006 0.000 0.194 131 E C 1.810 178.384 176.600 -0.043 0.000 0.997 131 E CA 1.567 57.980 56.400 0.022 0.000 0.801 131 E CB 0.025 29.779 29.700 0.090 0.000 0.746 131 E HN 0.135 nan 8.360 nan 0.000 0.450 132 V N 1.056 120.977 119.914 0.011 0.000 2.295 132 V HA -0.273 3.851 4.120 0.006 0.000 0.246 132 V C 2.425 178.513 176.094 -0.009 0.000 1.049 132 V CA 1.650 63.956 62.300 0.010 0.000 1.024 132 V CB -0.400 31.488 31.823 0.107 0.000 0.648 132 V HN 0.334 nan 8.190 nan 0.000 0.447 133 L N -0.552 120.666 121.223 -0.008 0.000 2.044 133 L HA -0.113 4.231 4.340 0.006 0.000 0.205 133 L C 2.343 179.193 176.870 -0.032 0.000 1.075 133 L CA 1.363 56.190 54.840 -0.021 0.000 0.747 133 L CB -0.705 41.282 42.059 -0.120 0.000 0.903 133 L HN 0.283 nan 8.230 nan 0.000 0.435 134 D N 0.076 120.439 120.400 -0.061 0.000 2.221 134 D HA -0.160 4.483 4.640 0.006 0.000 0.204 134 D C 1.688 177.942 176.300 -0.077 0.000 0.982 134 D CA 1.031 54.995 54.000 -0.060 0.000 0.857 134 D CB -0.117 40.651 40.800 -0.053 0.000 0.934 134 D HN 0.339 nan 8.370 nan 0.000 0.475 135 N N -0.931 117.683 118.700 -0.144 0.000 2.322 135 N HA 0.094 4.837 4.740 0.006 0.000 0.181 135 N C 1.122 176.542 175.510 -0.150 0.000 1.088 135 N CA 0.854 53.772 53.050 -0.220 0.000 0.885 135 N CB 1.425 39.563 38.487 -0.582 0.000 1.013 135 N HN 0.177 nan 8.380 nan 0.000 0.472 136 G N 1.299 110.048 108.800 -0.084 0.000 2.164 136 G HA2 -0.184 3.780 3.960 0.006 0.000 0.212 136 G HA3 -0.184 3.780 3.960 0.006 0.000 0.212 136 G C 0.507 175.397 174.900 -0.017 0.000 1.031 136 G CA -0.116 44.971 45.100 -0.022 0.000 0.730 136 G HN 0.268 nan 8.290 nan 0.000 0.501 137 L N -0.629 120.577 121.223 -0.029 0.000 2.592 137 L HA 0.295 4.638 4.340 0.006 0.000 0.227 137 L C 1.517 178.425 176.870 0.064 0.000 1.127 137 L CA 0.170 55.007 54.840 -0.006 0.000 0.884 137 L CB 0.411 42.439 42.059 -0.051 0.000 1.065 137 L HN 0.467 nan 8.230 nan 0.000 0.457 138 C N -0.016 119.363 119.300 0.131 0.000 2.322 138 C HA 0.368 4.831 4.460 0.006 0.000 0.324 138 C C 0.992 176.145 174.990 0.271 0.000 1.284 138 C CA -0.481 58.664 59.018 0.212 0.000 1.606 138 C CB 0.822 28.711 27.740 0.248 0.000 2.251 138 C HN 0.293 nan 8.230 nan 0.000 0.502 139 D N 1.965 122.481 120.400 0.194 0.000 2.392 139 D HA 0.187 4.831 4.640 0.006 0.000 0.206 139 D C 0.073 176.509 176.300 0.227 0.000 1.046 139 D CA 0.903 54.977 54.000 0.124 0.000 0.865 139 D CB 0.283 41.115 40.800 0.053 0.000 0.969 139 D HN 0.649 nan 8.370 nan 0.000 0.509 140 K N 0.616 121.190 120.400 0.289 0.000 2.565 140 K HA 0.432 4.755 4.320 0.006 0.000 0.251 140 K C -1.762 174.918 176.600 0.134 0.000 0.956 140 K CA -0.452 55.953 56.287 0.195 0.000 0.809 140 K CB 1.480 34.035 32.500 0.092 0.000 1.267 140 K HN -0.192 nan 8.250 nan 0.000 0.438 141 I N 4.422 125.013 120.570 0.035 0.000 2.410 141 I HA 0.275 4.449 4.170 0.006 0.000 0.286 141 I C -1.067 174.956 176.117 -0.158 0.000 1.009 141 I CA -0.920 60.354 61.300 -0.044 0.000 1.111 141 I CB 1.133 39.057 38.000 -0.126 0.000 1.262 141 I HN 0.513 nan 8.210 nan 0.000 0.443 142 Y N 6.787 126.939 120.300 -0.247 0.000 2.425 142 Y HA 0.470 5.023 4.550 0.005 0.000 0.347 142 Y C -0.126 175.681 175.900 -0.155 0.000 0.976 142 Y CA -0.277 57.654 58.100 -0.280 0.000 1.190 142 Y CB 0.968 38.879 38.460 -0.914 0.000 1.136 142 Y HN 0.437 nan 8.280 nan 0.000 0.517 143 L N 3.421 124.699 121.223 0.092 0.000 2.356 143 L HA 0.561 4.904 4.340 0.006 0.000 0.277 143 L C -0.485 176.401 176.870 0.027 0.000 0.996 143 L CA -0.397 54.446 54.840 0.005 0.000 0.822 143 L CB 1.449 43.494 42.059 -0.023 0.000 1.256 143 L HN 0.476 nan 8.230 nan 0.000 0.413 144 T N 4.713 119.258 114.554 -0.014 0.000 2.729 144 T HA 0.364 4.718 4.350 0.006 0.000 0.296 144 T C -0.036 174.567 174.700 -0.163 0.000 0.928 144 T CA -0.340 61.685 62.100 -0.125 0.000 1.045 144 T CB 0.210 69.006 68.868 -0.119 0.000 0.902 144 T HN 0.482 nan 8.240 nan 0.000 0.500 145 R N 2.967 123.371 120.500 -0.160 0.000 2.202 145 R HA 0.399 4.742 4.340 0.006 0.000 0.334 145 R C -0.928 175.292 176.300 -0.135 0.000 1.036 145 R CA -0.799 55.235 56.100 -0.111 0.000 0.878 145 R CB 0.606 30.878 30.300 -0.046 0.000 1.067 145 R HN 0.344 nan 8.270 nan 0.000 0.457 146 L N 2.868 123.981 121.223 -0.183 0.000 2.295 146 L HA 0.244 4.587 4.340 0.006 0.000 0.285 146 L C 0.793 177.610 176.870 -0.088 0.000 1.035 146 L CA -0.174 54.558 54.840 -0.180 0.000 0.806 146 L CB 1.409 43.225 42.059 -0.405 0.000 1.214 146 L HN 0.429 nan 8.230 nan 0.000 0.426 147 N N 1.991 120.666 118.700 -0.042 0.000 2.413 147 N HA 0.072 4.815 4.740 0.006 0.000 0.207 147 N C -0.354 175.124 175.510 -0.052 0.000 1.206 147 N CA 0.285 53.310 53.050 -0.042 0.000 0.832 147 N CB -0.018 38.461 38.487 -0.014 0.000 1.037 147 N HN 0.461 nan 8.380 nan 0.000 0.467 148 K N 0.202 120.570 120.400 -0.053 0.000 2.426 148 K HA 0.265 4.588 4.320 0.006 0.000 0.251 148 K C -0.849 175.666 176.600 -0.142 0.000 0.941 148 K CA -0.611 55.600 56.287 -0.127 0.000 0.808 148 K CB 1.782 34.173 32.500 -0.182 0.000 1.265 148 K HN -0.003 nan 8.250 nan 0.000 0.432 149 E N 2.118 122.208 120.200 -0.183 0.000 2.354 149 E HA 0.125 4.479 4.350 0.006 0.000 0.269 149 E C -1.095 175.350 176.600 -0.259 0.000 1.036 149 E CA -0.068 56.265 56.400 -0.112 0.000 0.876 149 E CB 0.745 30.401 29.700 -0.074 0.000 1.009 149 E HN 0.335 nan 8.360 nan 0.000 0.416 150 Y N 1.060 121.392 120.300 0.052 0.000 2.499 150 Y HA 0.275 4.828 4.550 0.006 0.000 0.347 150 Y C -2.139 173.732 175.900 -0.048 0.000 0.987 150 Y CA -2.704 55.426 58.100 0.049 0.000 1.044 150 Y CB 1.587 40.164 38.460 0.196 0.000 1.245 150 Y HN 0.411 nan 8.280 nan 0.000 0.461 151 P HA 0.283 nan 4.420 nan 0.000 0.265 151 P C -0.208 176.886 177.300 -0.342 0.000 1.193 151 P CA 0.223 63.202 63.100 -0.201 0.000 0.765 151 P CB 0.688 32.170 31.700 -0.363 0.000 0.823 152 G N 1.623 110.305 108.800 -0.197 0.000 2.495 152 G HA2 0.457 4.420 3.960 0.006 0.000 0.294 152 G HA3 0.457 4.420 3.960 0.006 0.000 0.294 152 G C -1.160 173.759 174.900 0.032 0.000 1.397 152 G CA -0.659 44.408 45.100 -0.054 0.000 0.790 152 G HN 0.435 nan 8.290 nan 0.000 0.486 153 D N -2.042 118.408 120.400 0.083 0.000 2.525 153 D HA 0.239 4.882 4.640 0.006 0.000 0.231 153 D C 0.405 176.841 176.300 0.227 0.000 1.216 153 D CA 0.158 54.275 54.000 0.194 0.000 0.813 153 D CB 0.967 41.880 40.800 0.189 0.000 1.108 153 D HN 0.388 nan 8.370 nan 0.000 0.524 154 T N 0.106 114.707 114.554 0.078 0.000 2.824 154 T HA 0.522 4.875 4.350 0.006 0.000 0.282 154 T C -1.422 173.319 174.700 0.070 0.000 0.993 154 T CA -0.425 61.779 62.100 0.173 0.000 0.967 154 T CB 1.308 70.268 68.868 0.154 0.000 0.960 154 T HN -0.067 nan 8.240 nan 0.000 0.441 155 Y N 0.817 121.209 120.300 0.153 0.000 2.536 155 Y HA 0.614 5.167 4.550 0.006 0.000 0.347 155 Y C -0.414 175.617 175.900 0.219 0.000 1.000 155 Y CA -1.717 56.486 58.100 0.171 0.000 1.051 155 Y CB 1.255 39.774 38.460 0.100 0.000 1.259 155 Y HN 0.639 nan 8.280 nan 0.000 0.468 156 F N 4.945 125.023 119.950 0.213 0.000 2.427 156 F HA 0.500 5.030 4.527 0.006 0.000 0.352 156 F C -2.208 173.621 175.800 0.048 0.000 1.100 156 F CA -2.872 55.177 58.000 0.081 0.000 1.191 156 F CB 0.593 39.566 39.000 -0.046 0.000 1.128 156 F HN 0.273 nan 8.300 nan 0.000 0.533 157 P HA 0.043 nan 4.420 nan 0.000 0.270 157 P C -0.980 176.060 177.300 -0.434 0.000 1.223 157 P CA -0.228 62.623 63.100 -0.416 0.000 0.785 157 P CB 0.473 31.912 31.700 -0.436 0.000 0.923 158 D N 0.668 120.930 120.400 -0.231 0.000 2.472 158 D HA 0.027 4.670 4.640 0.006 0.000 0.237 158 D C 0.403 176.560 176.300 -0.239 0.000 1.141 158 D CA 0.609 54.511 54.000 -0.164 0.000 0.875 158 D CB 0.226 40.970 40.800 -0.094 0.000 1.192 158 D HN 0.213 nan 8.370 nan 0.000 0.450 159 I N 3.483 123.928 120.570 -0.208 0.000 2.352 159 I HA 0.131 4.304 4.170 0.006 0.000 0.290 159 I C -1.822 174.241 176.117 -0.090 0.000 1.036 159 I CA -1.738 59.390 61.300 -0.287 0.000 1.336 159 I CB 0.817 38.527 38.000 -0.484 0.000 1.407 159 I HN 0.060 nan 8.210 nan 0.000 0.497 160 P HA 0.074 nan 4.420 nan 0.000 0.267 160 P C 0.635 178.050 177.300 0.192 0.000 1.200 160 P CA 0.088 63.261 63.100 0.123 0.000 0.772 160 P CB 0.456 32.276 31.700 0.201 0.000 0.855 161 D N 0.361 120.832 120.400 0.117 0.000 2.389 161 D HA -0.155 4.489 4.640 0.006 0.000 0.221 161 D C 1.405 177.770 176.300 0.108 0.000 0.974 161 D CA 1.603 55.668 54.000 0.109 0.000 0.923 161 D CB -0.917 39.920 40.800 0.063 0.000 0.892 161 D HN 0.592 nan 8.370 nan 0.000 0.518 162 T N -3.414 111.208 114.554 0.112 0.000 3.085 162 T HA 0.240 4.593 4.350 0.006 0.000 0.263 162 T C 0.491 175.150 174.700 -0.068 0.000 1.127 162 T CA -0.082 62.017 62.100 -0.002 0.000 1.103 162 T CB -0.363 68.454 68.868 -0.086 0.000 0.921 162 T HN 0.312 nan 8.240 nan 0.000 0.510 163 F N 2.330 122.315 119.950 0.058 0.000 2.399 163 F HA 0.568 5.098 4.527 0.006 0.000 0.328 163 F C 0.557 176.449 175.800 0.153 0.000 1.084 163 F CA -1.224 56.844 58.000 0.114 0.000 1.053 163 F CB 1.338 40.429 39.000 0.153 0.000 1.209 163 F HN 0.246 nan 8.300 nan 0.000 0.502 164 E N 0.997 121.392 120.200 0.326 0.000 2.367 164 E HA 0.511 4.864 4.350 0.006 0.000 0.273 164 E C -1.386 175.247 176.600 0.055 0.000 0.903 164 E CA -0.888 55.621 56.400 0.182 0.000 0.764 164 E CB 2.050 31.792 29.700 0.071 0.000 1.252 164 E HN 0.461 nan 8.360 nan 0.000 0.446 165 I N 2.465 122.931 120.570 -0.173 0.000 2.517 165 I HA -0.003 4.171 4.170 0.006 0.000 0.285 165 I C 1.012 177.045 176.117 -0.139 0.000 1.106 165 I CA 0.308 61.404 61.300 -0.340 0.000 1.402 165 I CB 0.774 38.524 38.000 -0.417 0.000 1.399 165 I HN 0.808 nan 8.210 nan 0.000 0.535 166 T N 1.799 116.286 114.554 -0.112 0.000 3.010 166 T HA 0.512 4.866 4.350 0.006 0.000 0.257 166 T C 0.259 174.920 174.700 -0.066 0.000 1.020 166 T CA -0.140 61.917 62.100 -0.071 0.000 0.938 166 T CB 0.495 69.335 68.868 -0.047 0.000 1.049 166 T HN 0.623 nan 8.240 nan 0.000 0.522 167 A N 0.997 123.782 122.820 -0.058 0.000 2.517 167 A HA 0.750 5.074 4.320 0.006 0.000 0.297 167 A C -1.452 176.157 177.584 0.042 0.000 1.050 167 A CA -0.897 51.137 52.037 -0.005 0.000 0.694 167 A CB 1.138 20.151 19.000 0.022 0.000 1.277 167 A HN 0.429 nan 8.150 nan 0.000 0.400 168 I N 2.294 122.933 120.570 0.114 0.000 2.478 168 I HA 0.341 4.514 4.170 0.006 0.000 0.287 168 I C 0.795 177.024 176.117 0.188 0.000 1.042 168 I CA -0.610 60.789 61.300 0.164 0.000 1.067 168 I CB 2.284 40.432 38.000 0.246 0.000 1.233 168 I HN 0.799 nan 8.210 nan 0.000 0.431 169 S N 6.116 121.937 115.700 0.200 0.000 2.606 169 S HA 0.410 4.883 4.470 0.006 0.000 0.257 169 S C -2.503 172.117 174.600 0.033 0.000 1.327 169 S CA -0.780 57.559 58.200 0.233 0.000 0.984 169 S CB 0.207 63.704 63.200 0.496 0.000 0.941 169 S HN 0.292 nan 8.310 nan 0.000 0.576 170 P HA 0.215 nan 4.420 nan 0.000 0.271 170 P C -0.462 176.383 177.300 -0.758 0.000 1.233 170 P CA -0.235 62.611 63.100 -0.424 0.000 0.789 170 P CB 0.065 31.481 31.700 -0.474 0.000 0.951 171 T N 1.967 116.038 114.554 -0.805 0.000 2.907 171 T HA 0.378 4.731 4.350 0.006 0.000 0.298 171 T C -0.120 174.021 174.700 -0.932 0.000 1.017 171 T CA 0.446 62.110 62.100 -0.727 0.000 1.118 171 T CB -0.322 68.269 68.868 -0.462 0.000 0.948 171 T HN 0.122 nan 8.240 nan 0.000 0.531 172 F N 0.573 120.205 119.950 -0.529 0.000 2.654 172 F HA 0.715 5.245 4.527 0.005 0.000 0.334 172 F C 0.529 175.963 175.800 -0.611 0.000 1.078 172 F CA -0.937 56.735 58.000 -0.546 0.000 0.986 172 F CB 1.921 40.552 39.000 -0.615 0.000 1.362 172 F HN 0.623 nan 8.300 nan 0.000 0.498 173 S N -1.123 114.548 115.700 -0.049 0.000 2.550 173 S HA 0.755 5.229 4.470 0.006 0.000 0.270 173 S C -0.806 173.876 174.600 0.136 0.000 1.145 173 S CA -0.668 57.559 58.200 0.046 0.000 0.852 173 S CB 1.550 64.751 63.200 0.001 0.000 1.119 173 S HN 0.834 nan 8.310 nan 0.000 0.465 174 T N -1.604 112.939 114.554 -0.018 0.000 2.876 174 T HA 0.515 4.869 4.350 0.006 0.000 0.277 174 T C 0.190 174.768 174.700 -0.204 0.000 0.997 174 T CA -0.505 61.465 62.100 -0.218 0.000 0.966 174 T CB 0.461 68.856 68.868 -0.788 0.000 1.312 174 T HN 0.459 nan 8.240 nan 0.000 0.598 175 D N -0.278 120.050 120.400 -0.121 0.000 2.310 175 D HA 0.022 4.666 4.640 0.006 0.000 0.212 175 D C 1.095 177.451 176.300 0.093 0.000 0.965 175 D CA 1.054 55.077 54.000 0.038 0.000 0.879 175 D CB -0.092 40.806 40.800 0.163 0.000 0.921 175 D HN 0.656 nan 8.370 nan 0.000 0.510 176 F N -1.916 118.100 119.950 0.110 0.000 2.767 176 F HA 0.414 4.945 4.527 0.006 0.000 0.323 176 F C 0.031 175.906 175.800 0.124 0.000 1.091 176 F CA -0.638 57.431 58.000 0.115 0.000 1.192 176 F CB 0.592 39.679 39.000 0.146 0.000 1.056 176 F HN -0.286 nan 8.300 nan 0.000 0.571 177 V N 0.703 120.510 119.914 -0.179 0.000 3.098 177 V HA 0.575 4.699 4.120 0.006 0.000 0.294 177 V C -1.053 175.044 176.094 0.006 0.000 1.351 177 V CA -0.415 61.877 62.300 -0.012 0.000 0.999 177 V CB 2.285 34.173 31.823 0.109 0.000 1.104 177 V HN 0.428 nan 8.190 nan 0.000 0.438 178 S N 4.941 120.675 115.700 0.056 0.000 2.608 178 S HA 0.967 5.440 4.470 0.006 0.000 0.291 178 S C -0.943 173.710 174.600 0.088 0.000 1.146 178 S CA -0.233 57.998 58.200 0.051 0.000 1.043 178 S CB 1.752 64.959 63.200 0.010 0.000 1.037 178 S HN 1.732 nan 8.310 nan 0.000 0.520 179 Y N -1.132 119.092 120.300 -0.126 0.000 2.677 179 Y HA 0.746 5.299 4.550 0.006 0.000 0.334 179 Y C -1.615 174.133 175.900 -0.253 0.000 1.196 179 Y CA -1.054 56.913 58.100 -0.222 0.000 1.059 179 Y CB 0.612 38.882 38.460 -0.317 0.000 1.315 179 Y HN 0.813 nan 8.280 nan 0.000 0.455 180 D N 0.260 120.475 120.400 -0.308 0.000 2.677 180 D HA 0.495 5.138 4.640 0.006 0.000 0.298 180 D C -1.860 174.097 176.300 -0.571 0.000 1.250 180 D CA -0.706 53.038 54.000 -0.427 0.000 0.888 180 D CB 1.359 42.002 40.800 -0.261 0.000 1.397 180 D HN 0.395 nan 8.370 nan 0.000 0.461 181 F N -0.145 119.768 119.950 -0.062 0.000 2.458 181 F HA 0.585 5.116 4.527 0.006 0.000 0.336 181 F C 0.385 176.161 175.800 -0.040 0.000 1.114 181 F CA -0.968 56.920 58.000 -0.186 0.000 0.987 181 F CB 2.130 40.821 39.000 -0.514 0.000 1.130 181 F HN 0.380 nan 8.300 nan 0.000 0.458 182 V N 0.917 120.909 119.914 0.130 0.000 3.001 182 V HA 0.706 4.830 4.120 0.006 0.000 0.314 182 V C -0.767 175.359 176.094 0.053 0.000 1.099 182 V CA -1.062 61.275 62.300 0.061 0.000 0.989 182 V CB 2.314 34.097 31.823 -0.067 0.000 1.040 182 V HN 0.656 nan 8.190 nan 0.000 0.434 183 I N 2.474 123.014 120.570 -0.051 0.000 2.406 183 I HA 0.486 4.660 4.170 0.006 0.000 0.290 183 I C -1.210 174.832 176.117 -0.124 0.000 0.999 183 I CA -0.467 60.746 61.300 -0.146 0.000 1.124 183 I CB 1.694 39.554 38.000 -0.233 0.000 1.289 183 I HN 0.645 nan 8.210 nan 0.000 0.441 184 Y N 4.519 124.773 120.300 -0.076 0.000 2.342 184 Y HA 0.455 5.008 4.550 0.006 0.000 0.334 184 Y C 0.208 176.209 175.900 0.169 0.000 1.067 184 Y CA -0.379 57.759 58.100 0.062 0.000 1.128 184 Y CB 1.419 39.902 38.460 0.038 0.000 1.200 184 Y HN 0.495 nan 8.280 nan 0.000 0.464 185 E N 2.164 122.580 120.200 0.360 0.000 2.343 185 E HA 0.424 4.778 4.350 0.006 0.000 0.270 185 E C -1.023 175.593 176.600 0.026 0.000 0.895 185 E CA -1.319 55.212 56.400 0.218 0.000 0.767 185 E CB 1.887 31.621 29.700 0.056 0.000 1.248 185 E HN 0.494 nan 8.360 nan 0.000 0.440 186 R N 2.229 122.550 120.500 -0.298 0.000 2.522 186 R HA 0.197 4.541 4.340 0.006 0.000 0.284 186 R C -0.266 175.885 176.300 -0.247 0.000 1.032 186 R CA 0.509 56.274 56.100 -0.559 0.000 1.049 186 R CB 0.135 30.124 30.300 -0.519 0.000 0.956 186 R HN 0.538 nan 8.270 nan 0.000 0.422 198 F N 1.868 121.815 119.950 -0.005 0.000 2.171 198 F HA -0.139 4.387 4.527 -0.001 0.000 0.300 198 F C 1.510 177.306 175.800 -0.006 0.000 1.090 198 F CA 1.705 59.702 58.000 -0.005 0.000 1.293 198 F CB 0.033 39.030 39.000 -0.005 0.000 1.013 198 F HN 0.275 nan 8.300 nan 0.000 0.486 199 D N 0.167 120.516 120.400 -0.085 0.000 2.190 199 D HA -0.237 4.407 4.640 0.006 0.000 0.200 199 D C 2.183 178.358 176.300 -0.209 0.000 0.992 199 D CA 1.381 55.275 54.000 -0.177 0.000 0.854 199 D CB -0.450 40.319 40.800 -0.053 0.000 0.936 199 D HN 0.487 nan 8.370 nan 0.000 0.462 200 Q N -0.405 119.311 119.800 -0.142 0.000 2.170 200 Q HA -0.073 4.271 4.340 0.006 0.000 0.203 200 Q C 2.377 178.278 176.000 -0.165 0.000 0.976 200 Q CA 0.680 56.412 55.803 -0.117 0.000 0.858 200 Q CB 0.041 28.743 28.738 -0.061 0.000 0.907 200 Q HN 0.351 nan 8.270 nan 0.000 0.433 201 L N -0.435 120.636 121.223 -0.253 0.000 2.068 201 L HA -0.135 4.208 4.340 0.006 0.000 0.204 201 L C 2.230 178.871 176.870 -0.383 0.000 1.076 201 L CA 0.311 54.986 54.840 -0.275 0.000 0.753 201 L CB -0.310 41.605 42.059 -0.240 0.000 0.910 201 L HN 0.227 nan 8.230 nan 0.000 0.439 202 L N -0.366 120.452 121.223 -0.674 0.000 2.083 202 L HA -0.148 4.196 4.340 0.006 0.000 0.209 202 L C 2.164 178.878 176.870 -0.260 0.000 1.083 202 L CA 1.712 56.227 54.840 -0.542 0.000 0.752 202 L CB -0.287 41.370 42.059 -0.671 0.000 0.899 202 L HN 0.211 nan 8.230 nan 0.000 0.433 203 M N -0.855 118.614 119.600 -0.219 0.000 2.628 203 M HA 0.060 4.544 4.480 0.006 0.000 0.232 203 M C 1.832 178.071 176.300 -0.101 0.000 1.128 203 M CA 0.906 56.128 55.300 -0.130 0.000 1.040 203 M CB -1.595 30.942 32.600 -0.105 0.000 1.608 203 M HN 0.458 nan 8.290 nan 0.000 0.507 204 T N -2.874 111.614 114.554 -0.110 0.000 3.035 204 T HA 0.099 4.452 4.350 0.006 0.000 0.268 204 T C 1.717 176.376 174.700 -0.069 0.000 1.109 204 T CA 1.116 63.167 62.100 -0.082 0.000 1.119 204 T CB -0.330 68.491 68.868 -0.079 0.000 0.900 204 T HN 0.573 nan 8.240 nan 0.000 0.503 205 G N 1.281 110.035 108.800 -0.075 0.000 2.189 205 G HA2 -0.292 3.672 3.960 0.006 0.000 0.267 205 G HA3 -0.292 3.672 3.960 0.006 0.000 0.267 205 G C 0.411 175.284 174.900 -0.044 0.000 0.975 205 G CA 1.061 46.127 45.100 -0.056 0.000 0.644 205 G HN 1.176 nan 8.290 nan 0.000 0.537 206 T N -3.579 110.946 114.554 -0.047 0.000 2.718 206 T HA 0.662 5.016 4.350 0.006 0.000 0.267 206 T C 0.249 174.934 174.700 -0.025 0.000 0.957 206 T CA 0.728 62.809 62.100 -0.031 0.000 1.025 206 T CB 0.702 69.551 68.868 -0.032 0.000 1.355 206 T HN 1.399 nan 8.240 nan 0.000 0.572 207 D N 0.463 120.857 120.400 -0.011 0.000 2.570 207 D HA 0.203 4.846 4.640 0.006 0.000 0.243 207 D C 1.479 177.786 176.300 0.011 0.000 1.171 207 D CA 0.553 54.556 54.000 0.006 0.000 0.879 207 D CB -0.755 40.051 40.800 0.010 0.000 1.143 207 D HN 0.829 nan 8.370 nan 0.000 0.511 208 I N -0.465 120.128 120.570 0.038 0.000 2.761 208 I HA 0.044 4.217 4.170 0.006 0.000 0.261 208 I C 1.537 177.707 176.117 0.088 0.000 1.198 208 I CA 0.939 62.282 61.300 0.071 0.000 1.482 208 I CB 0.279 38.396 38.000 0.194 0.000 1.100 208 I HN 0.330 nan 8.210 nan 0.000 0.445 209 S N 1.263 117.002 115.700 0.065 0.000 2.497 209 S HA 0.655 5.128 4.470 0.006 0.000 0.193 209 S C 0.059 174.680 174.600 0.035 0.000 1.360 209 S CA -0.436 57.794 58.200 0.052 0.000 1.204 209 S CB -0.077 63.150 63.200 0.045 0.000 1.171 209 S HN 0.318 nan 8.310 nan 0.000 0.502 210 V N 2.038 121.971 119.914 0.032 0.000 2.572 210 V HA 0.532 4.655 4.120 0.006 0.000 0.291 210 V C -1.655 174.458 176.094 0.032 0.000 1.039 210 V CA -1.842 60.476 62.300 0.030 0.000 1.055 210 V CB -0.586 31.252 31.823 0.025 0.000 0.969 210 V HN 0.518 nan 8.190 nan 0.000 0.482 211 P HA 0.422 nan 4.420 nan 0.000 0.266 211 P C 0.125 177.442 177.300 0.029 0.000 1.195 211 P CA 0.264 63.379 63.100 0.024 0.000 0.768 211 P CB 0.125 31.837 31.700 0.021 0.000 0.838 212 K N 3.713 124.118 120.400 0.009 0.000 2.489 212 K HA 0.180 4.503 4.320 0.006 0.000 0.278 212 K C -2.017 174.580 176.600 -0.004 0.000 1.000 212 K CA -1.162 55.128 56.287 0.004 0.000 1.012 212 K CB -1.784 30.705 32.500 -0.018 0.000 0.903 212 K HN 0.462 nan 8.250 nan 0.000 0.485 213 P HA 0.094 nan 4.420 nan 0.000 0.262 213 P C 1.102 178.343 177.300 -0.099 0.000 1.182 213 P CA 0.586 63.670 63.100 -0.026 0.000 0.761 213 P CB 0.503 32.222 31.700 0.033 0.000 0.795 214 K N 2.009 122.310 120.400 -0.164 0.000 2.160 214 K HA -0.153 4.170 4.320 0.006 0.000 0.206 214 K C 0.463 176.744 176.600 -0.532 0.000 1.047 214 K CA 1.611 57.694 56.287 -0.341 0.000 0.930 214 K CB -1.084 31.174 32.500 -0.404 0.000 0.720 214 K HN 0.640 nan 8.250 nan 0.000 0.450 215 Y N -1.246 118.977 120.300 -0.129 0.000 2.391 215 Y HA 0.530 5.083 4.550 0.006 0.000 0.341 215 Y C -0.547 175.303 175.900 -0.084 0.000 0.965 215 Y CA -1.439 56.597 58.100 -0.107 0.000 1.067 215 Y CB 2.516 40.900 38.460 -0.128 0.000 1.199 215 Y HN -0.150 nan 8.280 nan 0.000 0.450 216 V N 2.513 122.465 119.914 0.063 0.000 2.623 216 V HA 0.700 4.823 4.120 0.006 0.000 0.304 216 V C -0.255 175.855 176.094 0.027 0.000 1.054 216 V CA -1.239 61.078 62.300 0.027 0.000 0.882 216 V CB 1.689 33.508 31.823 -0.007 0.000 1.002 216 V HN 0.906 nan 8.190 nan 0.000 0.424 217 A N 2.303 125.138 122.820 0.026 0.000 2.450 217 A HA 0.424 4.747 4.320 0.006 0.000 0.255 217 A C 0.776 178.393 177.584 0.054 0.000 1.096 217 A CA 0.145 52.209 52.037 0.045 0.000 0.778 217 A CB -0.410 18.636 19.000 0.077 0.000 1.031 217 A HN 1.595 nan 8.150 nan 0.000 0.494 218 C N 3.113 122.447 119.300 0.056 0.000 3.349 218 C HA -0.097 4.366 4.460 0.006 0.000 0.275 218 C C -0.543 174.445 174.990 -0.004 0.000 1.322 218 C CA 0.071 59.124 59.018 0.058 0.000 2.261 218 C CB -2.077 25.787 27.740 0.206 0.000 1.446 218 C HN 0.851 nan 8.230 nan 0.000 0.533 219 P HA -0.042 nan 4.420 nan 0.000 0.225 219 P C 1.545 178.815 177.300 -0.050 0.000 1.148 219 P CA 2.109 65.185 63.100 -0.040 0.000 0.779 219 P CB 0.017 31.698 31.700 -0.033 0.000 0.780 220 G N 0.128 108.905 108.800 -0.039 0.000 2.484 220 G HA2 -0.037 3.926 3.960 0.006 0.000 0.218 220 G HA3 -0.037 3.926 3.960 0.006 0.000 0.218 220 G C 0.538 175.401 174.900 -0.061 0.000 1.130 220 G CA 0.083 45.158 45.100 -0.041 0.000 0.784 220 G HN 0.201 nan 8.290 nan 0.000 0.543 221 V N 1.190 121.053 119.914 -0.085 0.000 2.408 221 V HA 0.259 4.382 4.120 0.006 0.000 0.267 221 V C 1.073 177.049 176.094 -0.196 0.000 1.047 221 V CA -0.240 61.980 62.300 -0.133 0.000 0.937 221 V CB 1.112 32.850 31.823 -0.141 0.000 0.999 221 V HN 0.313 nan 8.190 nan 0.000 0.472 222 R N 3.661 124.076 120.500 -0.142 0.000 2.146 222 R HA 0.351 4.694 4.340 0.006 0.000 0.206 222 R C 0.181 176.401 176.300 -0.133 0.000 1.049 222 R CA 0.421 56.445 56.100 -0.127 0.000 1.029 222 R CB 0.360 30.616 30.300 -0.074 0.000 0.949 222 R HN 0.515 nan 8.270 nan 0.000 0.471 223 I N 2.423 122.929 120.570 -0.107 0.000 2.291 223 I HA 0.194 4.367 4.170 0.006 0.000 0.290 223 I C -0.234 175.815 176.117 -0.114 0.000 1.050 223 I CA -0.202 61.053 61.300 -0.075 0.000 1.245 223 I CB 1.119 39.117 38.000 -0.003 0.000 1.405 223 I HN -0.090 nan 8.210 nan 0.000 0.478 224 R N 4.802 125.191 120.500 -0.184 0.000 2.860 224 R HA 0.293 4.637 4.340 0.006 0.000 0.282 224 R C 0.146 176.460 176.300 0.024 0.000 1.408 224 R CA -0.309 55.576 56.100 -0.358 0.000 1.636 224 R CB 0.088 29.899 30.300 -0.816 0.000 1.187 224 R HN 0.472 nan 8.270 nan 0.000 0.611 225 N N 0.022 118.823 118.700 0.168 0.000 2.254 225 N HA -0.061 4.683 4.740 0.006 0.000 0.190 225 N C -0.022 175.595 175.510 0.177 0.000 1.107 225 N CA 0.194 53.337 53.050 0.155 0.000 0.869 225 N CB 0.193 38.750 38.487 0.118 0.000 0.983 225 N HN 0.410 nan 8.380 nan 0.000 0.487 226 H N 2.177 121.359 119.070 0.186 0.000 2.929 226 H HA 0.040 4.599 4.556 0.006 0.000 0.317 226 H C 0.714 176.019 175.328 -0.039 0.000 1.031 226 H CA 0.751 56.763 56.048 -0.060 0.000 1.466 226 H CB 0.791 30.390 29.762 -0.273 0.000 1.482 226 H HN 0.164 nan 8.280 nan 0.000 0.561 227 E N 3.061 123.336 120.200 0.125 0.000 2.209 227 E HA -0.228 4.125 4.350 0.006 0.000 0.196 227 E C 1.622 178.435 176.600 0.354 0.000 0.993 227 E CA 1.084 57.633 56.400 0.250 0.000 0.819 227 E CB 0.190 30.152 29.700 0.436 0.000 0.745 227 E HN 0.738 nan 8.360 nan 0.000 0.477 228 E N 0.032 120.351 120.200 0.197 0.000 2.204 228 E HA -0.186 4.168 4.350 0.006 0.000 0.195 228 E C 1.261 177.834 176.600 -0.044 0.000 0.990 228 E CA 0.668 57.062 56.400 -0.011 0.000 0.821 228 E CB -0.036 29.324 29.700 -0.567 0.000 0.750 228 E HN 0.204 nan 8.360 nan 0.000 0.477 229 F N 1.276 121.239 119.950 0.023 0.000 2.333 229 F HA -0.152 4.379 4.527 0.007 0.000 0.300 229 F C 2.282 178.094 175.800 0.018 0.000 1.083 229 F CA 1.095 59.092 58.000 -0.004 0.000 1.395 229 F CB -0.361 38.624 39.000 -0.024 0.000 1.056 229 F HN 0.096 nan 8.300 nan 0.000 0.529 230 Q N -1.255 118.671 119.800 0.211 0.000 2.084 230 Q HA -0.260 4.083 4.340 0.006 0.000 0.202 230 Q C 2.059 178.123 176.000 0.107 0.000 0.978 230 Q CA 2.044 57.915 55.803 0.114 0.000 0.844 230 Q CB -0.552 28.206 28.738 0.033 0.000 0.898 230 Q HN 0.573 nan 8.270 nan 0.000 0.426 231 Y N 0.898 121.240 120.300 0.070 0.000 2.220 231 Y HA -0.104 4.449 4.550 0.006 0.000 0.291 231 Y C 1.746 177.628 175.900 -0.031 0.000 1.129 231 Y CA 1.057 59.170 58.100 0.022 0.000 1.161 231 Y CB -0.107 38.410 38.460 0.093 0.000 0.997 231 Y HN -0.023 nan 8.280 nan 0.000 0.522 232 L N -0.033 121.154 121.223 -0.060 0.000 2.046 232 L HA -0.214 4.129 4.340 0.006 0.000 0.208 232 L C 2.000 178.783 176.870 -0.144 0.000 1.077 232 L CA 1.525 56.274 54.840 -0.151 0.000 0.747 232 L CB -0.644 41.420 42.059 0.008 0.000 0.896 232 L HN 0.178 nan 8.230 nan 0.000 0.432 233 D N 0.363 120.734 120.400 -0.048 0.000 2.144 233 D HA -0.149 4.494 4.640 0.006 0.000 0.199 233 D C 2.264 178.475 176.300 -0.148 0.000 0.984 233 D CA 1.235 55.203 54.000 -0.053 0.000 0.834 233 D CB -0.076 40.724 40.800 0.000 0.000 0.955 233 D HN 0.318 nan 8.370 nan 0.000 0.465 234 I N 0.388 120.791 120.570 -0.278 0.000 2.252 234 I HA -0.221 3.952 4.170 0.006 0.000 0.245 234 I C 2.401 178.253 176.117 -0.440 0.000 1.102 234 I CA 0.537 61.539 61.300 -0.495 0.000 1.385 234 I CB -0.148 37.413 38.000 -0.731 0.000 1.064 234 I HN -0.010 nan 8.210 nan 0.000 0.414 235 L N 0.663 121.597 121.223 -0.482 0.000 1.990 235 L HA -0.273 4.071 4.340 0.006 0.000 0.213 235 L C 2.874 179.575 176.870 -0.283 0.000 1.072 235 L CA 1.736 56.331 54.840 -0.408 0.000 0.755 235 L CB -0.784 41.000 42.059 -0.458 0.000 0.889 235 L HN 0.273 nan 8.230 nan 0.000 0.432 236 A N -0.493 122.204 122.820 -0.205 0.000 1.933 236 A HA -0.282 4.042 4.320 0.006 0.000 0.218 236 A C 1.930 179.467 177.584 -0.080 0.000 1.175 236 A CA 2.078 54.047 52.037 -0.113 0.000 0.628 236 A CB -0.635 18.351 19.000 -0.023 0.000 0.814 236 A HN 0.462 nan 8.150 nan 0.000 0.444 237 D N -0.518 119.854 120.400 -0.047 0.000 2.097 237 D HA -0.123 4.521 4.640 0.006 0.000 0.195 237 D C 1.833 178.175 176.300 0.070 0.000 0.989 237 D CA 1.604 55.657 54.000 0.089 0.000 0.827 237 D CB -0.061 40.835 40.800 0.160 0.000 0.966 237 D HN 0.149 nan 8.370 nan 0.000 0.456 238 V N 0.465 120.362 119.914 -0.027 0.000 2.358 238 V HA -0.202 3.922 4.120 0.006 0.000 0.246 238 V C 2.634 178.655 176.094 -0.121 0.000 1.047 238 V CA 1.198 63.492 62.300 -0.009 0.000 1.035 238 V CB -0.525 31.275 31.823 -0.039 0.000 0.658 238 V HN 0.307 nan 8.190 nan 0.000 0.452 239 L N -0.152 120.896 121.223 -0.292 0.000 2.042 239 L HA -0.170 4.173 4.340 0.006 0.000 0.210 239 L C 2.583 179.238 176.870 -0.358 0.000 1.076 239 L CA 1.728 56.237 54.840 -0.552 0.000 0.749 239 L CB -0.606 40.794 42.059 -1.097 0.000 0.893 239 L HN 0.308 nan 8.230 nan 0.000 0.432 240 S N -1.681 113.891 115.700 -0.212 0.000 2.387 240 S HA -0.127 4.346 4.470 0.006 0.000 0.226 240 S C 1.391 175.682 174.600 -0.514 0.000 1.026 240 S CA 1.130 59.143 58.200 -0.312 0.000 0.972 240 S CB -0.123 62.763 63.200 -0.523 0.000 0.814 240 S HN 0.576 nan 8.310 nan 0.000 0.477 241 H N -0.760 118.329 119.070 0.032 0.000 3.440 241 H HA 0.343 4.903 4.556 0.006 0.000 0.259 241 H C 1.087 176.463 175.328 0.078 0.000 1.120 241 H CA -0.117 55.963 56.048 0.053 0.000 1.191 241 H CB 0.180 29.976 29.762 0.056 0.000 1.537 241 H HN 0.309 nan 8.280 nan 0.000 0.547 242 G N 1.245 110.140 108.800 0.159 0.000 2.554 242 G HA2 0.261 4.224 3.960 0.006 0.000 0.238 242 G HA3 0.261 4.224 3.960 0.006 0.000 0.238 242 G C -0.127 174.932 174.900 0.265 0.000 1.259 242 G CA -0.225 44.999 45.100 0.208 0.000 0.843 242 G HN 0.064 nan 8.290 nan 0.000 0.582 243 V N 2.637 122.672 119.914 0.202 0.000 2.509 243 V HA 0.175 4.299 4.120 0.006 0.000 0.284 243 V C 0.472 176.605 176.094 0.065 0.000 1.047 243 V CA -0.723 61.663 62.300 0.142 0.000 0.952 243 V CB 1.454 33.319 31.823 0.069 0.000 0.988 243 V HN 0.675 nan 8.190 nan 0.000 0.469 244 L N 6.118 127.315 121.223 -0.043 0.000 2.418 244 L HA 0.251 4.594 4.340 0.006 0.000 0.274 244 L C 0.241 176.987 176.870 -0.206 0.000 1.135 244 L CA 0.636 55.265 54.840 -0.351 0.000 0.870 244 L CB -0.041 41.792 42.059 -0.376 0.000 1.154 244 L HN 0.550 nan 8.230 nan 0.000 0.462 245 K N 7.260 127.525 120.400 -0.223 0.000 2.414 245 K HA 0.413 4.737 4.320 0.006 0.000 0.251 245 K C -2.362 174.151 176.600 -0.145 0.000 1.037 245 K CA -1.683 54.516 56.287 -0.147 0.000 0.980 245 K CB 0.912 33.336 32.500 -0.128 0.000 1.280 245 K HN 0.436 nan 8.250 nan 0.000 0.451 246 P HA 0.001 nan 4.420 nan 0.000 0.272 246 P C -1.128 176.138 177.300 -0.056 0.000 1.223 246 P CA -0.370 62.679 63.100 -0.084 0.000 0.784 246 P CB 0.441 32.103 31.700 -0.063 0.000 0.923 247 N N -2.133 116.547 118.700 -0.034 0.000 2.371 247 N HA 0.573 5.316 4.740 0.006 0.000 0.291 247 N C -0.411 175.094 175.510 -0.008 0.000 1.053 247 N CA -0.985 52.055 53.050 -0.016 0.000 0.870 247 N CB 1.071 39.557 38.487 -0.001 0.000 1.503 247 N HN 0.238 nan 8.380 nan 0.000 0.485 248 R N 1.354 121.848 120.500 -0.010 0.000 2.640 248 R HA 0.372 4.716 4.340 0.006 0.000 0.270 248 R C 0.831 177.130 176.300 -0.001 0.000 1.024 248 R CA 0.284 56.379 56.100 -0.007 0.000 1.085 248 R CB -1.221 29.073 30.300 -0.009 0.000 0.963 248 R HN 1.569 nan 8.270 nan 0.000 0.426 249 T N -1.874 112.680 114.554 0.001 0.000 3.032 249 T HA 0.259 4.613 4.350 0.006 0.000 0.453 249 T C 0.606 175.314 174.700 0.013 0.000 0.774 249 T CA 1.278 63.381 62.100 0.006 0.000 2.352 249 T CB -2.124 66.747 68.868 0.004 0.000 1.663 249 T HN 2.852 nan 8.240 nan 0.000 0.599 250 G N 0.635 109.441 108.800 0.010 0.000 2.347 250 G HA2 0.449 4.413 3.960 0.006 0.000 0.321 250 G HA3 0.449 4.413 3.960 0.006 0.000 0.321 250 G C -0.619 174.289 174.900 0.013 0.000 1.412 250 G CA -0.351 44.757 45.100 0.012 0.000 0.990 250 G HN 1.088 nan 8.290 nan 0.000 0.637 251 T N 1.987 116.549 114.554 0.014 0.000 2.817 251 T HA 0.511 4.864 4.350 0.006 0.000 0.293 251 T C -0.034 174.740 174.700 0.124 0.000 0.964 251 T CA -0.268 61.856 62.100 0.040 0.000 1.085 251 T CB 1.006 69.856 68.868 -0.031 0.000 0.921 251 T HN 0.489 nan 8.240 nan 0.000 0.502 252 D N 1.581 122.011 120.400 0.051 0.000 2.360 252 D HA 0.548 5.191 4.640 0.006 0.000 0.242 252 D C -0.065 176.212 176.300 -0.039 0.000 1.184 252 D CA -0.129 53.854 54.000 -0.027 0.000 0.930 252 D CB 0.713 41.450 40.800 -0.104 0.000 1.161 252 D HN 0.678 nan 8.370 nan 0.000 0.447 253 A N 0.699 123.405 122.820 -0.190 0.000 2.515 253 A HA 0.516 4.839 4.320 0.006 0.000 0.298 253 A C -1.558 175.865 177.584 -0.270 0.000 1.059 253 A CA -0.729 51.164 52.037 -0.240 0.000 0.698 253 A CB 0.783 19.498 19.000 -0.474 0.000 1.289 253 A HN 0.438 nan 8.150 nan 0.000 0.404 254 Y N 0.935 121.199 120.300 -0.060 0.000 2.316 254 Y HA 0.517 5.070 4.550 0.006 0.000 0.331 254 Y C 1.075 176.981 175.900 0.009 0.000 1.083 254 Y CA 0.816 58.901 58.100 -0.025 0.000 1.206 254 Y CB 1.619 40.059 38.460 -0.034 0.000 1.195 254 Y HN 0.641 nan 8.280 nan 0.000 0.497 255 S N 3.889 119.691 115.700 0.170 0.000 2.536 255 S HA 0.719 5.192 4.470 0.006 0.000 0.287 255 S C -1.299 173.412 174.600 0.184 0.000 1.101 255 S CA -0.796 57.503 58.200 0.165 0.000 0.950 255 S CB 1.247 64.505 63.200 0.097 0.000 1.056 255 S HN 0.694 nan 8.310 nan 0.000 0.481 256 K N 2.403 122.940 120.400 0.229 0.000 2.532 256 K HA 0.593 4.917 4.320 0.006 0.000 0.265 256 K C -2.099 174.672 176.600 0.286 0.000 0.948 256 K CA -0.722 55.710 56.287 0.242 0.000 0.842 256 K CB 1.448 34.110 32.500 0.271 0.000 1.392 256 K HN 0.530 nan 8.250 nan 0.000 0.436 257 F N 1.841 121.773 119.950 -0.030 0.000 2.444 257 F HA 0.611 5.141 4.527 0.005 0.000 0.342 257 F C 0.027 175.639 175.800 -0.314 0.000 1.121 257 F CA 0.223 58.167 58.000 -0.093 0.000 0.997 257 F CB 1.988 40.948 39.000 -0.066 0.000 1.130 257 F HN 0.638 nan 8.300 nan 0.000 0.454 258 G N 4.804 113.120 108.800 -0.806 0.000 3.055 258 G HA2 -0.100 3.863 3.960 0.006 0.000 0.654 258 G HA3 -0.100 3.863 3.960 0.006 0.000 0.654 258 G C -1.798 172.611 174.900 -0.819 0.000 1.134 258 G CA -0.750 43.849 45.100 -0.834 0.000 1.049 258 G HN 0.750 nan 8.290 nan 0.000 0.458 259 Y N -0.190 119.938 120.300 -0.287 0.000 2.615 259 Y HA 0.803 5.356 4.550 0.006 0.000 0.341 259 Y C 0.177 175.948 175.900 -0.216 0.000 1.089 259 Y CA -0.950 57.026 58.100 -0.207 0.000 1.049 259 Y CB 2.361 40.714 38.460 -0.179 0.000 1.296 259 Y HN 0.644 nan 8.280 nan 0.000 0.470 260 Q N 1.982 121.782 119.800 -0.000 0.000 2.271 260 Q HA 0.660 5.003 4.340 0.006 0.000 0.268 260 Q C -1.867 174.074 176.000 -0.099 0.000 1.021 260 Q CA -0.554 55.198 55.803 -0.085 0.000 0.802 260 Q CB 1.789 30.465 28.738 -0.105 0.000 1.282 260 Q HN 0.783 nan 8.270 nan 0.000 0.431 261 M N 3.056 122.568 119.600 -0.146 0.000 2.598 261 M HA 0.650 5.134 4.480 0.006 0.000 0.317 261 M C -0.816 175.246 176.300 -0.397 0.000 1.179 261 M CA -0.795 54.357 55.300 -0.247 0.000 0.936 261 M CB 2.367 34.883 32.600 -0.139 0.000 1.713 261 M HN 0.604 nan 8.290 nan 0.000 0.460 262 R N 0.915 121.035 120.500 -0.634 0.000 2.698 262 R HA 0.773 5.117 4.340 0.006 0.000 0.275 262 R C -2.157 173.659 176.300 -0.806 0.000 1.001 262 R CA -0.671 55.097 56.100 -0.553 0.000 0.896 262 R CB 1.502 31.646 30.300 -0.260 0.000 1.218 262 R HN 0.507 nan 8.270 nan 0.000 0.462 263 F N 0.701 120.675 119.950 0.040 0.000 2.539 263 F HA 0.232 4.763 4.527 0.006 0.000 0.318 263 F C -0.289 175.558 175.800 0.078 0.000 1.135 263 F CA -0.974 57.075 58.000 0.081 0.000 0.915 263 F CB 2.077 41.132 39.000 0.092 0.000 1.176 263 F HN 0.521 nan 8.300 nan 0.000 0.440 264 D N 4.129 124.644 120.400 0.192 0.000 2.352 264 D HA 0.175 4.819 4.640 0.006 0.000 0.245 264 D C 0.778 177.161 176.300 0.139 0.000 1.224 264 D CA 0.225 54.306 54.000 0.135 0.000 0.879 264 D CB 0.872 41.718 40.800 0.078 0.000 1.057 264 D HN 0.608 nan 8.370 nan 0.000 0.491 265 L N 2.775 124.087 121.223 0.148 0.000 2.478 265 L HA -0.088 4.255 4.340 0.006 0.000 0.223 265 L C 2.276 179.203 176.870 0.096 0.000 1.140 265 L CA 0.447 55.362 54.840 0.126 0.000 0.842 265 L CB -0.251 41.892 42.059 0.141 0.000 0.953 265 L HN 0.358 nan 8.230 nan 0.000 0.452 266 S N -0.585 115.169 115.700 0.090 0.000 2.461 266 S HA -0.072 4.401 4.470 0.006 0.000 0.228 266 S C 2.004 176.648 174.600 0.072 0.000 1.005 266 S CA 0.291 58.537 58.200 0.077 0.000 0.942 266 S CB 0.009 63.257 63.200 0.080 0.000 0.776 266 S HN 0.405 nan 8.310 nan 0.000 0.514 267 R N 0.979 121.517 120.500 0.064 0.000 2.105 267 R HA 0.246 4.590 4.340 0.006 0.000 0.214 267 R C 0.586 176.890 176.300 0.006 0.000 1.091 267 R CA 1.007 57.127 56.100 0.034 0.000 1.007 267 R CB 0.250 30.525 30.300 -0.042 0.000 0.912 267 R HN 0.606 nan 8.270 nan 0.000 0.450 268 S N -1.474 114.246 115.700 0.033 0.000 2.661 268 S HA 0.331 4.805 4.470 0.006 0.000 0.268 268 S C -1.571 173.066 174.600 0.062 0.000 1.162 268 S CA -0.993 57.240 58.200 0.055 0.000 0.817 268 S CB 1.180 64.429 63.200 0.081 0.000 1.141 268 S HN 0.065 nan 8.310 nan 0.000 0.477 269 F N 3.152 122.999 119.950 -0.172 0.000 2.411 269 F HA 0.648 5.178 4.527 0.006 0.000 0.352 269 F C -2.437 172.946 175.800 -0.695 0.000 1.123 269 F CA -2.401 55.402 58.000 -0.328 0.000 1.044 269 F CB 2.121 40.954 39.000 -0.277 0.000 1.135 269 F HN 0.362 nan 8.300 nan 0.000 0.461 270 P HA 0.085 nan 4.420 nan 0.000 0.225 270 P C -0.697 175.612 177.300 -1.652 0.000 1.813 270 P CA -0.035 61.800 63.100 -2.107 0.000 1.013 270 P CB 0.224 30.958 31.700 -1.609 0.000 1.961 271 L N 2.779 123.256 121.223 -1.243 0.000 2.261 271 L HA 0.212 4.556 4.340 0.006 0.000 0.289 271 L C 0.170 176.942 176.870 -0.164 0.000 1.059 271 L CA -0.631 53.819 54.840 -0.651 0.000 0.816 271 L CB 0.145 41.894 42.059 -0.517 0.000 1.191 271 L HN 0.087 nan 8.230 nan 0.000 0.431 272 L N 4.391 125.560 121.223 -0.090 0.000 2.543 272 L HA 0.040 4.384 4.340 0.006 0.000 0.285 272 L C 1.393 178.457 176.870 0.324 0.000 1.236 272 L CA 0.618 55.556 54.840 0.162 0.000 0.871 272 L CB 0.359 42.388 42.059 -0.051 0.000 1.121 272 L HN 0.836 nan 8.230 nan 0.000 0.501 273 T N -4.454 110.283 114.554 0.305 0.000 3.001 273 T HA -0.043 4.311 4.350 0.006 0.000 0.251 273 T C 1.401 176.248 174.700 0.244 0.000 1.040 273 T CA 0.379 62.647 62.100 0.280 0.000 0.985 273 T CB -0.069 68.961 68.868 0.271 0.000 1.011 273 T HN 0.733 nan 8.240 nan 0.000 0.509 274 T N 0.329 114.950 114.554 0.112 0.000 3.160 274 T HA 0.194 4.547 4.350 0.006 0.000 0.257 274 T C 0.471 175.195 174.700 0.040 0.000 1.147 274 T CA -0.067 62.032 62.100 -0.003 0.000 1.064 274 T CB -0.512 68.278 68.868 -0.129 0.000 0.949 274 T HN 0.805 nan 8.240 nan 0.000 0.526 275 K N -0.244 120.223 120.400 0.112 0.000 2.556 275 K HA 0.436 4.760 4.320 0.006 0.000 0.274 275 K C -1.439 175.246 176.600 0.142 0.000 0.966 275 K CA -1.203 55.150 56.287 0.110 0.000 0.865 275 K CB 1.625 34.169 32.500 0.074 0.000 1.444 275 K HN -0.122 nan 8.250 nan 0.000 0.433 276 K N 2.324 122.794 120.400 0.117 0.000 2.338 276 K HA 0.140 4.463 4.320 0.006 0.000 0.290 276 K C -0.800 175.908 176.600 0.180 0.000 1.069 276 K CA -0.456 55.925 56.287 0.156 0.000 0.941 276 K CB 0.693 33.245 32.500 0.086 0.000 1.023 276 K HN 0.439 nan 8.250 nan 0.000 0.477 277 V N 3.442 123.502 119.914 0.244 0.000 2.567 277 V HA 0.217 4.340 4.120 0.006 0.000 0.289 277 V C 0.413 176.523 176.094 0.027 0.000 1.049 277 V CA -0.710 61.653 62.300 0.104 0.000 0.969 277 V CB 1.382 33.206 31.823 0.002 0.000 0.995 277 V HN 0.878 nan 8.190 nan 0.000 0.471 278 A N 4.437 127.270 122.820 0.023 0.000 3.026 278 A HA 0.238 4.561 4.320 0.006 0.000 0.272 278 A C 1.186 178.622 177.584 -0.246 0.000 1.782 278 A CA -0.183 51.836 52.037 -0.030 0.000 1.451 278 A CB -0.635 18.443 19.000 0.130 0.000 1.081 278 A HN 0.897 nan 8.150 nan 0.000 0.611 279 L N 1.714 122.786 121.223 -0.252 0.000 2.043 279 L HA -0.199 4.144 4.340 0.006 0.000 0.212 279 L C 2.356 179.059 176.870 -0.277 0.000 1.075 279 L CA 2.260 56.908 54.840 -0.320 0.000 0.752 279 L CB -0.373 41.513 42.059 -0.287 0.000 0.891 279 L HN 0.707 nan 8.230 nan 0.000 0.432 280 R N -1.177 119.212 120.500 -0.185 0.000 2.081 280 R HA -0.144 4.199 4.340 0.006 0.000 0.235 280 R C 2.250 178.458 176.300 -0.154 0.000 1.131 280 R CA 1.651 57.663 56.100 -0.146 0.000 0.960 280 R CB -0.209 30.036 30.300 -0.092 0.000 0.856 280 R HN 0.464 nan 8.270 nan 0.000 0.436 281 S N 0.646 116.262 115.700 -0.140 0.000 2.368 281 S HA -0.109 4.364 4.470 0.006 0.000 0.225 281 S C 1.885 176.384 174.600 -0.169 0.000 1.030 281 S CA 1.215 59.369 58.200 -0.077 0.000 0.999 281 S CB -0.166 63.108 63.200 0.123 0.000 0.844 281 S HN 0.275 nan 8.310 nan 0.000 0.459 282 I N 1.399 121.696 120.570 -0.455 0.000 2.127 282 I HA -0.222 3.951 4.170 0.006 0.000 0.241 282 I C 2.074 178.009 176.117 -0.304 0.000 1.075 282 I CA 1.359 62.346 61.300 -0.522 0.000 1.334 282 I CB -0.433 37.135 38.000 -0.720 0.000 1.040 282 I HN 0.248 nan 8.210 nan 0.000 0.405 283 I N 0.198 120.608 120.570 -0.268 0.000 2.179 283 I HA -0.253 3.920 4.170 0.006 0.000 0.242 283 I C 2.584 178.601 176.117 -0.166 0.000 1.088 283 I CA 1.263 62.438 61.300 -0.208 0.000 1.357 283 I CB -0.495 37.391 38.000 -0.189 0.000 1.051 283 I HN 0.233 nan 8.210 nan 0.000 0.409 284 E N 0.643 120.751 120.200 -0.153 0.000 2.077 284 E HA -0.277 4.077 4.350 0.006 0.000 0.193 284 E C 1.983 178.487 176.600 -0.161 0.000 0.989 284 E CA 1.192 57.515 56.400 -0.129 0.000 0.800 284 E CB -0.320 29.301 29.700 -0.131 0.000 0.746 284 E HN 0.554 nan 8.360 nan 0.000 0.452 285 E N 0.589 120.656 120.200 -0.222 0.000 2.085 285 E HA -0.199 4.154 4.350 0.006 0.000 0.194 285 E C 2.207 178.468 176.600 -0.564 0.000 0.994 285 E CA 0.796 56.986 56.400 -0.349 0.000 0.801 285 E CB -0.039 29.514 29.700 -0.246 0.000 0.743 285 E HN 0.092 nan 8.360 nan 0.000 0.453 286 L N 0.878 121.869 121.223 -0.387 0.000 2.056 286 L HA -0.117 4.226 4.340 0.006 0.000 0.207 286 L C 2.183 179.016 176.870 -0.061 0.000 1.078 286 L CA 1.402 56.090 54.840 -0.253 0.000 0.749 286 L CB -0.328 41.641 42.059 -0.150 0.000 0.901 286 L HN 0.202 nan 8.230 nan 0.000 0.433 287 L N -1.958 119.244 121.223 -0.035 0.000 2.083 287 L HA -0.237 4.107 4.340 0.006 0.000 0.209 287 L C 2.384 179.328 176.870 0.123 0.000 1.083 287 L CA 1.621 56.497 54.840 0.059 0.000 0.752 287 L CB -0.811 41.275 42.059 0.045 0.000 0.899 287 L HN 0.520 nan 8.230 nan 0.000 0.433 288 W N 0.696 121.905 121.300 -0.153 0.000 2.379 288 W HA -0.206 4.458 4.660 0.006 0.000 0.307 288 W C 2.298 178.795 176.519 -0.037 0.000 1.200 288 W CA 1.181 58.447 57.345 -0.131 0.000 1.297 288 W CB -0.271 29.050 29.460 -0.232 0.000 1.140 288 W HN -0.029 nan 8.180 nan 0.000 0.507 289 F N 0.729 120.605 119.950 -0.124 0.000 2.065 289 F HA -0.244 4.286 4.527 0.006 0.000 0.298 289 F C 2.326 177.990 175.800 -0.226 0.000 1.112 289 F CA 1.436 59.141 58.000 -0.492 0.000 1.212 289 F CB -1.677 36.832 39.000 -0.818 0.000 0.975 289 F HN -0.111 nan 8.300 nan 0.000 0.476 290 I N 0.325 121.042 120.570 0.245 0.000 2.264 290 I HA -0.304 3.870 4.170 0.006 0.000 0.248 290 I C 2.517 178.750 176.117 0.193 0.000 1.111 290 I CA 1.925 63.417 61.300 0.321 0.000 1.382 290 I CB -0.784 37.386 38.000 0.285 0.000 1.060 290 I HN 0.188 nan 8.210 nan 0.000 0.418 291 K N 0.678 121.146 120.400 0.114 0.000 2.486 291 K HA 0.224 4.547 4.320 0.006 0.000 0.194 291 K C 1.558 178.192 176.600 0.058 0.000 1.033 291 K CA 0.835 57.173 56.287 0.085 0.000 1.004 291 K CB -0.958 31.590 32.500 0.080 0.000 0.798 291 K HN 0.620 nan 8.250 nan 0.000 0.495 292 G N -0.223 108.582 108.800 0.008 0.000 2.136 292 G HA2 -0.223 3.740 3.960 0.006 0.000 0.242 292 G HA3 -0.223 3.740 3.960 0.006 0.000 0.242 292 G C 0.423 175.272 174.900 -0.084 0.000 0.989 292 G CA 0.633 45.738 45.100 0.009 0.000 0.682 292 G HN 1.043 nan 8.290 nan 0.000 0.522 293 S N -0.284 115.226 115.700 -0.316 0.000 2.576 293 S HA 0.574 5.047 4.470 0.006 0.000 0.276 293 S C 1.511 175.706 174.600 -0.675 0.000 1.339 293 S CA 1.167 59.115 58.200 -0.419 0.000 1.039 293 S CB 0.857 63.788 63.200 -0.448 0.000 0.902 293 S HN 1.204 nan 8.310 nan 0.000 0.516 294 T N 0.635 115.007 114.554 -0.304 0.000 3.170 294 T HA 0.266 4.620 4.350 0.006 0.000 0.288 294 T C -0.015 174.693 174.700 0.013 0.000 0.992 294 T CA -0.545 61.402 62.100 -0.254 0.000 0.909 294 T CB -0.288 68.510 68.868 -0.116 0.000 1.133 294 T HN 0.444 nan 8.240 nan 0.000 0.530 295 N N 1.610 120.397 118.700 0.145 0.000 2.500 295 N HA 0.365 5.109 4.740 0.006 0.000 0.236 295 N C 1.478 177.217 175.510 0.382 0.000 1.022 295 N CA -0.110 53.070 53.050 0.217 0.000 0.935 295 N CB 1.129 39.695 38.487 0.131 0.000 1.147 295 N HN 0.319 nan 8.380 nan 0.000 0.512 296 G N 3.174 112.142 108.800 0.279 0.000 2.462 296 G HA2 -0.274 3.689 3.960 0.006 0.000 0.220 296 G HA3 -0.274 3.689 3.960 0.006 0.000 0.220 296 G C 1.316 176.149 174.900 -0.112 0.000 1.121 296 G CA 0.326 45.477 45.100 0.084 0.000 0.758 296 G HN 0.580 nan 8.290 nan 0.000 0.559 297 N N 1.384 120.065 118.700 -0.031 0.000 2.272 297 N HA -0.100 4.643 4.740 0.006 0.000 0.185 297 N C 1.498 176.975 175.510 -0.055 0.000 1.014 297 N CA 1.350 54.357 53.050 -0.072 0.000 0.870 297 N CB -0.225 38.282 38.487 0.034 0.000 0.975 297 N HN 0.275 nan 8.380 nan 0.000 0.433 298 D N 0.760 121.168 120.400 0.014 0.000 2.178 298 D HA -0.050 4.593 4.640 0.006 0.000 0.202 298 D C 2.155 178.370 176.300 -0.143 0.000 0.974 298 D CA 0.411 54.425 54.000 0.022 0.000 0.841 298 D CB -0.184 40.756 40.800 0.234 0.000 0.953 298 D HN 0.276 nan 8.370 nan 0.000 0.478 299 L N 0.057 121.068 121.223 -0.354 0.000 2.095 299 L HA -0.030 4.313 4.340 0.006 0.000 0.204 299 L C 2.467 179.188 176.870 -0.248 0.000 1.080 299 L CA 0.427 55.011 54.840 -0.427 0.000 0.759 299 L CB -0.258 41.392 42.059 -0.681 0.000 0.914 299 L HN 0.019 nan 8.230 nan 0.000 0.439 300 L N -0.085 121.001 121.223 -0.229 0.000 2.042 300 L HA -0.219 4.124 4.340 0.006 0.000 0.210 300 L C 2.815 179.616 176.870 -0.115 0.000 1.076 300 L CA 1.231 55.966 54.840 -0.175 0.000 0.749 300 L CB -0.814 41.113 42.059 -0.221 0.000 0.893 300 L HN 0.254 nan 8.230 nan 0.000 0.432 301 A N -0.409 122.354 122.820 -0.095 0.000 2.076 301 A HA -0.151 4.173 4.320 0.006 0.000 0.220 301 A C 1.938 179.487 177.584 -0.059 0.000 1.160 301 A CA 1.331 53.333 52.037 -0.058 0.000 0.653 301 A CB -0.207 18.773 19.000 -0.032 0.000 0.801 301 A HN 0.257 nan 8.150 nan 0.000 0.455 302 K N -0.479 119.871 120.400 -0.083 0.000 2.410 302 K HA 0.051 4.374 4.320 0.006 0.000 0.200 302 K C 0.228 176.784 176.600 -0.073 0.000 1.023 302 K CA 0.146 56.388 56.287 -0.076 0.000 1.149 302 K CB -0.336 32.108 32.500 -0.093 0.000 0.859 302 K HN 0.457 nan 8.250 nan 0.000 0.514 303 N N 1.121 119.777 118.700 -0.073 0.000 2.714 303 N HA -0.176 4.568 4.740 0.006 0.000 0.252 303 N C -1.385 174.083 175.510 -0.069 0.000 1.014 303 N CA 0.323 53.334 53.050 -0.065 0.000 0.735 303 N CB -1.227 37.234 38.487 -0.045 0.000 0.924 303 N HN -0.060 nan 8.380 nan 0.000 0.540 304 V N 1.592 121.448 119.914 -0.097 0.000 2.357 304 V HA 0.363 4.486 4.120 0.006 0.000 0.284 304 V C 1.143 177.176 176.094 -0.102 0.000 1.018 304 V CA -0.511 61.734 62.300 -0.092 0.000 0.841 304 V CB 1.675 33.425 31.823 -0.121 0.000 0.991 304 V HN 0.300 nan 8.190 nan 0.000 0.437 305 R N 3.912 124.371 120.500 -0.068 0.000 2.543 305 R HA 0.262 4.606 4.340 0.006 0.000 0.323 305 R C 1.584 177.844 176.300 -0.067 0.000 1.002 305 R CA -0.000 56.059 56.100 -0.068 0.000 1.106 305 R CB 0.295 30.562 30.300 -0.056 0.000 1.280 305 R HN 0.862 nan 8.270 nan 0.000 0.549 306 I N -2.857 117.671 120.570 -0.071 0.000 2.493 306 I HA -0.067 4.106 4.170 0.006 0.000 0.254 306 I C 0.883 176.856 176.117 -0.241 0.000 1.160 306 I CA 1.287 62.488 61.300 -0.164 0.000 1.445 306 I CB -0.121 37.766 38.000 -0.188 0.000 1.086 306 I HN 0.087 nan 8.210 nan 0.000 0.433 307 W N 1.688 122.903 121.300 -0.142 0.000 3.220 307 W HA 0.224 4.888 4.660 0.006 0.000 0.328 307 W C 2.320 178.797 176.519 -0.069 0.000 1.205 307 W CA -0.158 57.129 57.345 -0.095 0.000 1.773 307 W CB 0.152 29.541 29.460 -0.119 0.000 1.086 307 W HN 0.180 nan 8.180 nan 0.000 0.622 308 E N 0.980 121.230 120.200 0.083 0.000 2.038 308 E HA -0.224 4.130 4.350 0.006 0.000 0.195 308 E C 1.910 178.583 176.600 0.121 0.000 1.000 308 E CA 1.537 58.003 56.400 0.111 0.000 0.803 308 E CB -0.346 29.373 29.700 0.031 0.000 0.750 308 E HN 0.237 nan 8.360 nan 0.000 0.448 309 L N 0.600 121.810 121.223 -0.022 0.000 2.127 309 L HA -0.196 4.148 4.340 0.006 0.000 0.211 309 L C 1.896 178.588 176.870 -0.298 0.000 1.089 309 L CA 1.354 56.132 54.840 -0.105 0.000 0.757 309 L CB -0.410 41.563 42.059 -0.144 0.000 0.899 309 L HN 0.199 nan 8.230 nan 0.000 0.434 310 N N -0.638 117.844 118.700 -0.363 0.000 2.494 310 N HA -0.054 4.690 4.740 0.006 0.000 0.182 310 N C 1.605 177.023 175.510 -0.152 0.000 1.076 310 N CA 0.653 53.303 53.050 -0.668 0.000 0.908 310 N CB 0.086 38.386 38.487 -0.312 0.000 0.967 310 N HN 0.294 nan 8.380 nan 0.000 0.449 311 G N -0.187 108.652 108.800 0.065 0.000 3.126 311 G HA2 0.079 4.042 3.960 0.006 0.000 0.224 311 G HA3 0.079 4.042 3.960 0.006 0.000 0.224 311 G C 0.425 175.233 174.900 -0.153 0.000 1.142 311 G CA -0.343 44.817 45.100 0.099 0.000 0.759 311 G HN 0.092 nan 8.290 nan 0.000 0.550 312 R N 0.100 120.566 120.500 -0.056 0.000 2.543 312 R HA 0.247 4.590 4.340 0.006 0.000 0.277 312 R C 1.612 177.932 176.300 0.034 0.000 1.074 312 R CA -0.578 55.480 56.100 -0.070 0.000 1.076 312 R CB 0.867 31.185 30.300 0.031 0.000 0.993 312 R HN 0.087 nan 8.270 nan 0.000 0.459 313 R N 3.008 123.501 120.500 -0.011 0.000 2.159 313 R HA -0.313 4.030 4.340 0.006 0.000 0.249 313 R C 1.881 178.223 176.300 0.069 0.000 1.136 313 R CA 2.980 59.098 56.100 0.030 0.000 0.951 313 R CB -1.024 29.286 30.300 0.017 0.000 0.876 313 R HN 0.927 nan 8.270 nan 0.000 0.440 314 D N -0.991 119.456 120.400 0.079 0.000 2.092 314 D HA -0.216 4.427 4.640 0.006 0.000 0.193 314 D C 1.851 178.219 176.300 0.114 0.000 0.994 314 D CA 1.464 55.514 54.000 0.083 0.000 0.828 314 D CB -0.803 40.047 40.800 0.083 0.000 0.963 314 D HN 0.393 nan 8.370 nan 0.000 0.450 315 F N 0.515 120.481 119.950 0.026 0.000 2.171 315 F HA 0.002 4.532 4.527 0.006 0.000 0.300 315 F C 2.268 178.114 175.800 0.077 0.000 1.090 315 F CA 1.255 59.283 58.000 0.046 0.000 1.293 315 F CB -0.063 38.968 39.000 0.052 0.000 1.013 315 F HN 0.131 nan 8.300 nan 0.000 0.486 316 L N -0.204 121.144 121.223 0.208 0.000 2.005 316 L HA -0.206 4.138 4.340 0.006 0.000 0.207 316 L C 2.270 179.188 176.870 0.079 0.000 1.072 316 L CA 1.375 56.330 54.840 0.191 0.000 0.744 316 L CB -0.887 41.301 42.059 0.215 0.000 0.895 316 L HN 0.044 nan 8.230 nan 0.000 0.433 317 D N 0.340 120.764 120.400 0.041 0.000 2.106 317 D HA -0.253 4.390 4.640 0.006 0.000 0.191 317 D C 2.050 178.303 176.300 -0.078 0.000 0.997 317 D CA 1.295 55.288 54.000 -0.011 0.000 0.834 317 D CB -0.222 40.577 40.800 -0.001 0.000 0.956 317 D HN 0.177 nan 8.370 nan 0.000 0.448 318 K N 0.311 120.648 120.400 -0.105 0.000 2.173 318 K HA -0.129 4.195 4.320 0.006 0.000 0.207 318 K C 1.232 177.703 176.600 -0.216 0.000 1.046 318 K CA 0.994 57.185 56.287 -0.159 0.000 0.929 318 K CB 0.049 32.432 32.500 -0.194 0.000 0.720 318 K HN 0.152 nan 8.250 nan 0.000 0.453 319 N N -1.313 117.234 118.700 -0.255 0.000 2.236 319 N HA 0.020 4.763 4.740 0.006 0.000 0.196 319 N C 0.700 175.966 175.510 -0.406 0.000 1.114 319 N CA 0.786 53.674 53.050 -0.269 0.000 0.859 319 N CB 1.408 39.770 38.487 -0.209 0.000 0.982 319 N HN 0.410 nan 8.380 nan 0.000 0.493 320 G N 1.042 109.635 108.800 -0.344 0.000 2.213 320 G HA2 -0.235 3.729 3.960 0.006 0.000 0.226 320 G HA3 -0.235 3.729 3.960 0.006 0.000 0.226 320 G C 0.039 174.678 174.900 -0.436 0.000 0.992 320 G CA -0.489 44.356 45.100 -0.425 0.000 0.632 320 G HN 0.256 nan 8.290 nan 0.000 0.511 321 F N 3.154 123.076 119.950 -0.045 0.000 2.833 321 F HA 0.301 4.831 4.527 0.006 0.000 0.327 321 F C 2.256 178.051 175.800 -0.009 0.000 1.184 321 F CA 0.736 58.724 58.000 -0.020 0.000 1.328 321 F CB -0.274 38.722 39.000 -0.006 0.000 1.440 321 F HN 0.193 nan 8.300 nan 0.000 0.569 322 T N -3.944 110.652 114.554 0.069 0.000 2.833 322 T HA -0.198 4.156 4.350 0.006 0.000 0.269 322 T C 1.443 176.183 174.700 0.066 0.000 1.054 322 T CA 1.458 63.587 62.100 0.049 0.000 1.135 322 T CB -0.087 68.784 68.868 0.005 0.000 0.869 322 T HN 0.220 nan 8.240 nan 0.000 0.466 323 D N 0.869 121.318 120.400 0.083 0.000 2.349 323 D HA 0.122 4.766 4.640 0.006 0.000 0.224 323 D C 0.838 177.195 176.300 0.094 0.000 1.029 323 D CA 0.203 54.249 54.000 0.077 0.000 0.879 323 D CB 0.063 40.905 40.800 0.069 0.000 0.906 323 D HN 0.420 nan 8.370 nan 0.000 0.528 324 R N 1.453 122.029 120.500 0.126 0.000 2.265 324 R HA 0.126 4.469 4.340 0.006 0.000 0.319 324 R C 0.147 176.493 176.300 0.077 0.000 1.006 324 R CA -0.428 55.735 56.100 0.104 0.000 0.880 324 R CB 1.053 31.415 30.300 0.103 0.000 1.077 324 R HN -0.081 nan 8.270 nan 0.000 0.454 325 E N 2.553 122.795 120.200 0.069 0.000 2.467 325 E HA -0.140 4.213 4.350 0.006 0.000 0.264 325 E C -0.748 175.877 176.600 0.043 0.000 1.020 325 E CA 0.133 56.574 56.400 0.068 0.000 0.945 325 E CB 0.626 30.388 29.700 0.104 0.000 0.942 325 E HN 0.536 nan 8.360 nan 0.000 0.449 326 E N 1.918 122.128 120.200 0.017 0.000 2.414 326 E HA -0.137 4.216 4.350 0.006 0.000 0.263 326 E C -0.415 176.152 176.600 -0.054 0.000 1.000 326 E CA 0.188 56.528 56.400 -0.100 0.000 0.914 326 E CB 0.197 29.808 29.700 -0.147 0.000 0.948 326 E HN 0.605 nan 8.360 nan 0.000 0.444 327 H N 1.108 120.227 119.070 0.082 0.000 3.179 327 H HA -0.212 4.347 4.556 0.006 0.000 0.250 327 H C -0.460 174.905 175.328 0.061 0.000 1.142 327 H CA 1.094 57.190 56.048 0.079 0.000 1.165 327 H CB -1.274 28.531 29.762 0.072 0.000 1.253 327 H HN 0.525 nan 8.280 nan 0.000 0.325 328 D N 1.114 121.570 120.400 0.093 0.000 2.374 328 D HA 0.169 4.812 4.640 0.006 0.000 0.240 328 D C 1.227 177.521 176.300 -0.011 0.000 1.229 328 D CA -0.282 53.741 54.000 0.038 0.000 0.895 328 D CB 0.231 41.042 40.800 0.018 0.000 1.046 328 D HN 0.336 nan 8.370 nan 0.000 0.498 329 L N 3.079 124.288 121.223 -0.022 0.000 2.591 329 L HA 0.221 4.564 4.340 0.006 0.000 0.228 329 L C 1.584 178.272 176.870 -0.304 0.000 1.133 329 L CA 0.263 55.054 54.840 -0.080 0.000 0.880 329 L CB -0.537 41.518 42.059 -0.008 0.000 1.033 329 L HN 0.624 nan 8.230 nan 0.000 0.450 330 G N 1.054 109.589 108.800 -0.441 0.000 2.693 330 G HA2 -0.217 3.747 3.960 0.006 0.000 0.226 330 G HA3 -0.217 3.747 3.960 0.006 0.000 0.226 330 G C -2.510 171.623 174.900 -1.279 0.000 1.354 330 G CA -0.433 44.094 45.100 -0.954 0.000 0.873 330 G HN 0.053 nan 8.290 nan 0.000 0.562 331 P HA 0.304 nan 4.420 nan 0.000 0.226 331 P C 0.818 177.800 177.300 -0.530 0.000 1.783 331 P CA -0.051 62.356 63.100 -1.154 0.000 0.980 331 P CB -0.929 30.143 31.700 -1.047 0.000 1.967 332 I N -2.784 117.493 120.570 -0.488 0.000 3.653 332 I HA 0.183 4.357 4.170 0.006 0.000 0.268 332 I C 1.616 177.483 176.117 -0.417 0.000 1.287 332 I CA -0.843 60.172 61.300 -0.476 0.000 0.839 332 I CB -0.405 37.315 38.000 -0.467 0.000 1.644 332 I HN -0.119 nan 8.210 nan 0.000 0.767 333 Y N 1.378 121.438 120.300 -0.401 0.000 2.029 333 Y HA -0.257 4.297 4.550 0.006 0.000 0.269 333 Y C 2.705 178.139 175.900 -0.777 0.000 1.201 333 Y CA 2.371 60.066 58.100 -0.675 0.000 1.115 333 Y CB -1.685 35.999 38.460 -1.294 0.000 0.945 333 Y HN 0.747 nan 8.280 nan 0.000 0.497 334 G N -0.964 107.499 108.800 -0.563 0.000 2.476 334 G HA2 -0.335 3.628 3.960 0.006 0.000 0.218 334 G HA3 -0.335 3.628 3.960 0.006 0.000 0.218 334 G C 1.638 176.483 174.900 -0.091 0.000 1.164 334 G CA 1.087 45.949 45.100 -0.395 0.000 0.768 334 G HN 0.427 nan 8.290 nan 0.000 0.560 335 F N 1.196 121.024 119.950 -0.204 0.000 2.134 335 F HA -0.082 4.448 4.527 0.006 0.000 0.299 335 F C 2.933 178.735 175.800 0.003 0.000 1.097 335 F CA 1.854 59.806 58.000 -0.081 0.000 1.264 335 F CB 0.015 38.895 39.000 -0.200 0.000 1.001 335 F HN 0.078 nan 8.300 nan 0.000 0.479 336 Q N -0.662 119.184 119.800 0.076 0.000 2.119 336 Q HA -0.198 4.146 4.340 0.006 0.000 0.201 336 Q C 2.088 178.268 176.000 0.298 0.000 0.972 336 Q CA 1.514 57.410 55.803 0.155 0.000 0.847 336 Q CB -1.052 27.831 28.738 0.242 0.000 0.903 336 Q HN 0.527 nan 8.270 nan 0.000 0.433 337 W N 1.141 122.451 121.300 0.017 0.000 2.363 337 W HA -0.088 4.575 4.660 0.006 0.000 0.296 337 W C 1.870 178.339 176.519 -0.083 0.000 1.212 337 W CA 0.772 58.127 57.345 0.016 0.000 1.260 337 W CB -0.127 29.377 29.460 0.072 0.000 1.131 337 W HN 0.137 nan 8.180 nan 0.000 0.530 338 R N -1.790 118.731 120.500 0.035 0.000 2.335 338 R HA 0.110 4.454 4.340 0.006 0.000 0.210 338 R C 0.266 176.137 176.300 -0.716 0.000 0.892 338 R CA 0.617 56.532 56.100 -0.308 0.000 1.048 338 R CB -0.372 29.713 30.300 -0.359 0.000 1.067 338 R HN 0.273 nan 8.270 nan 0.000 0.524 339 H N -1.152 117.756 119.070 -0.270 0.000 3.038 339 H HA 0.129 4.688 4.556 0.006 0.000 0.238 339 H C -0.772 174.262 175.328 -0.489 0.000 1.246 339 H CA -0.757 54.998 56.048 -0.488 0.000 0.966 339 H CB -0.310 28.864 29.762 -0.981 0.000 2.394 339 H HN -0.034 nan 8.280 nan 0.000 0.633 340 F N 1.994 121.795 119.950 -0.249 0.000 2.593 340 F HA 0.228 4.758 4.527 0.006 0.000 0.393 340 F C 1.470 177.228 175.800 -0.070 0.000 1.037 340 F CA 2.158 60.079 58.000 -0.131 0.000 1.195 340 F CB 0.427 39.391 39.000 -0.060 0.000 1.034 340 F HN 0.527 nan 8.300 nan 0.000 0.552 341 G N 3.387 112.061 108.800 -0.210 0.000 2.234 341 G HA2 -0.200 3.763 3.960 0.006 0.000 0.235 341 G HA3 -0.200 3.763 3.960 0.006 0.000 0.235 341 G C 0.313 175.240 174.900 0.044 0.000 0.997 341 G CA -0.141 44.956 45.100 -0.006 0.000 0.623 341 G HN 1.296 nan 8.290 nan 0.000 0.514 342 A N 0.441 123.282 122.820 0.036 0.000 2.466 342 A HA 0.504 4.828 4.320 0.006 0.000 0.238 342 A C 0.576 178.301 177.584 0.237 0.000 1.074 342 A CA 0.883 52.997 52.037 0.128 0.000 0.774 342 A CB 0.223 19.272 19.000 0.081 0.000 1.015 342 A HN 0.731 nan 8.150 nan 0.000 0.498 343 E N 1.020 121.346 120.200 0.211 0.000 2.217 343 E HA 0.135 4.489 4.350 0.006 0.000 0.279 343 E C -1.187 175.545 176.600 0.220 0.000 1.068 343 E CA -0.165 56.341 56.400 0.177 0.000 0.882 343 E CB 0.218 29.990 29.700 0.120 0.000 1.039 343 E HN 0.550 nan 8.360 nan 0.000 0.418 344 Y N 4.997 125.264 120.300 -0.055 0.000 2.442 344 Y HA 0.074 4.628 4.550 0.006 0.000 0.330 344 Y C 0.077 175.938 175.900 -0.064 0.000 1.129 344 Y CA 0.318 58.240 58.100 -0.297 0.000 1.365 344 Y CB 0.521 38.567 38.460 -0.690 0.000 1.233 344 Y HN 0.624 nan 8.280 nan 0.000 0.529 345 L N 3.062 124.007 121.223 -0.465 0.000 2.864 345 L HA 0.269 4.612 4.340 0.006 0.000 0.177 345 L C -0.234 176.367 176.870 -0.448 0.000 1.341 345 L CA 0.120 54.786 54.840 -0.289 0.000 0.892 345 L CB 0.026 41.977 42.059 -0.181 0.000 1.290 345 L HN 0.685 nan 8.230 nan 0.000 0.545 346 D N -1.861 118.225 120.400 -0.524 0.000 2.744 346 D HA 0.175 4.819 4.640 0.006 0.000 0.304 346 D C 0.458 176.525 176.300 -0.389 0.000 1.179 346 D CA -0.645 53.130 54.000 -0.375 0.000 1.024 346 D CB 0.401 41.141 40.800 -0.101 0.000 1.453 346 D HN 0.260 nan 8.370 nan 0.000 0.529 347 M N -0.930 118.545 119.600 -0.208 0.000 2.557 347 M HA 0.045 4.528 4.480 0.006 0.000 0.259 347 M C 0.216 176.364 176.300 -0.253 0.000 1.086 347 M CA 1.044 56.243 55.300 -0.169 0.000 1.096 347 M CB -0.376 32.109 32.600 -0.191 0.000 1.424 347 M HN 0.280 nan 8.290 nan 0.000 0.488 348 H N 0.908 119.944 119.070 -0.056 0.000 2.562 348 H HA 0.434 4.993 4.556 0.006 0.000 0.267 348 H C 0.955 176.176 175.328 -0.178 0.000 0.959 348 H CA 0.445 56.447 56.048 -0.077 0.000 1.204 348 H CB -0.188 29.536 29.762 -0.063 0.000 1.430 348 H HN 0.501 nan 8.280 nan 0.000 0.545 349 A N 1.532 124.208 122.820 -0.239 0.000 2.466 349 A HA 0.004 4.328 4.320 0.006 0.000 0.238 349 A C 0.106 177.275 177.584 -0.691 0.000 1.074 349 A CA -0.163 51.560 52.037 -0.524 0.000 0.774 349 A CB 0.140 18.669 19.000 -0.786 0.000 1.015 349 A HN 0.146 nan 8.150 nan 0.000 0.498 350 D N 0.526 120.594 120.400 -0.553 0.000 2.380 350 D HA 0.322 4.966 4.640 0.006 0.000 0.230 350 D C -0.564 175.450 176.300 -0.478 0.000 1.154 350 D CA 0.136 53.903 54.000 -0.387 0.000 0.859 350 D CB 0.082 40.770 40.800 -0.185 0.000 1.045 350 D HN 0.397 nan 8.370 nan 0.000 0.495 351 Y N 1.375 121.578 120.300 -0.161 0.000 2.524 351 Y HA 0.148 4.701 4.550 0.006 0.000 0.266 351 Y C 1.044 176.863 175.900 -0.133 0.000 1.180 351 Y CA -0.387 57.534 58.100 -0.298 0.000 1.244 351 Y CB -0.092 37.895 38.460 -0.788 0.000 1.125 351 Y HN 0.162 nan 8.280 nan 0.000 0.524 352 T N 0.935 115.541 114.554 0.087 0.000 2.871 352 T HA 0.254 4.607 4.350 0.006 0.000 0.296 352 T C 1.344 176.125 174.700 0.136 0.000 0.998 352 T CA 1.257 63.449 62.100 0.153 0.000 1.162 352 T CB 0.135 69.053 68.868 0.083 0.000 0.947 352 T HN 0.749 nan 8.240 nan 0.000 0.536 353 G N 3.079 111.977 108.800 0.164 0.000 2.168 353 G HA2 -0.263 3.701 3.960 0.006 0.000 0.263 353 G HA3 -0.263 3.701 3.960 0.006 0.000 0.263 353 G C 0.024 175.001 174.900 0.127 0.000 0.977 353 G CA 0.167 45.336 45.100 0.115 0.000 0.659 353 G HN 0.674 nan 8.290 nan 0.000 0.533 354 K N 0.188 120.703 120.400 0.192 0.000 2.182 354 K HA 0.599 4.923 4.320 0.006 0.000 0.262 354 K C 0.852 177.570 176.600 0.198 0.000 0.957 354 K CA -0.013 56.379 56.287 0.175 0.000 0.842 354 K CB 1.733 34.342 32.500 0.182 0.000 1.099 354 K HN 1.320 nan 8.250 nan 0.000 0.438 355 G N 1.993 110.866 108.800 0.121 0.000 2.750 355 G HA2 -0.257 3.706 3.960 0.006 0.000 0.228 355 G HA3 -0.257 3.706 3.960 0.006 0.000 0.228 355 G C -0.583 174.361 174.900 0.074 0.000 1.367 355 G CA -0.882 44.273 45.100 0.091 0.000 0.871 355 G HN 0.538 nan 8.290 nan 0.000 0.560 356 I N 0.693 121.308 120.570 0.074 0.000 2.321 356 I HA 0.233 4.406 4.170 0.006 0.000 0.291 356 I C -0.200 175.897 176.117 -0.034 0.000 0.998 356 I CA -0.460 60.853 61.300 0.023 0.000 1.227 356 I CB 1.689 39.696 38.000 0.012 0.000 1.368 356 I HN 0.468 nan 8.210 nan 0.000 0.466 357 D N 6.498 126.854 120.400 -0.073 0.000 2.508 357 D HA 0.052 4.695 4.640 0.006 0.000 0.224 357 D C 1.040 177.295 176.300 -0.076 0.000 1.171 357 D CA 0.230 54.164 54.000 -0.111 0.000 1.006 357 D CB 0.650 41.383 40.800 -0.111 0.000 1.073 357 D HN 0.517 nan 8.370 nan 0.000 0.513 358 Q N 1.464 121.219 119.800 -0.075 0.000 2.135 358 Q HA -0.183 4.160 4.340 0.006 0.000 0.204 358 Q C 1.759 177.692 176.000 -0.112 0.000 0.981 358 Q CA 0.902 56.633 55.803 -0.121 0.000 0.856 358 Q CB 0.187 28.822 28.738 -0.171 0.000 0.902 358 Q HN 0.428 nan 8.270 nan 0.000 0.425 359 L N 0.636 121.821 121.223 -0.063 0.000 2.027 359 L HA -0.115 4.229 4.340 0.006 0.000 0.206 359 L C 2.212 179.079 176.870 -0.004 0.000 1.074 359 L CA 2.043 56.868 54.840 -0.025 0.000 0.745 359 L CB -0.784 41.316 42.059 0.068 0.000 0.898 359 L HN 0.117 nan 8.230 nan 0.000 0.433 360 A N -0.874 121.940 122.820 -0.009 0.000 1.883 360 A HA -0.246 4.078 4.320 0.006 0.000 0.217 360 A C 2.204 179.774 177.584 -0.022 0.000 1.186 360 A CA 1.947 53.978 52.037 -0.009 0.000 0.624 360 A CB -0.689 18.301 19.000 -0.015 0.000 0.822 360 A HN 0.605 nan 8.150 nan 0.000 0.444 361 E N -0.802 119.375 120.200 -0.038 0.000 2.110 361 E HA -0.137 4.216 4.350 0.006 0.000 0.193 361 E C 1.921 178.497 176.600 -0.041 0.000 0.988 361 E CA 1.016 57.391 56.400 -0.043 0.000 0.804 361 E CB -0.211 29.454 29.700 -0.058 0.000 0.745 361 E HN 0.709 nan 8.360 nan 0.000 0.458 362 I N 0.844 121.389 120.570 -0.041 0.000 2.252 362 I HA -0.266 3.907 4.170 0.006 0.000 0.245 362 I C 2.096 178.204 176.117 -0.016 0.000 1.102 362 I CA 0.982 62.274 61.300 -0.013 0.000 1.385 362 I CB 0.087 38.104 38.000 0.028 0.000 1.064 362 I HN 0.094 nan 8.210 nan 0.000 0.414 363 I N 0.606 121.162 120.570 -0.024 0.000 2.179 363 I HA -0.363 3.810 4.170 0.006 0.000 0.242 363 I C 2.380 178.473 176.117 -0.041 0.000 1.088 363 I CA 1.608 62.880 61.300 -0.047 0.000 1.357 363 I CB -0.710 37.274 38.000 -0.027 0.000 1.051 363 I HN 0.366 nan 8.210 nan 0.000 0.409 364 N N 0.871 119.554 118.700 -0.029 0.000 2.120 364 N HA -0.211 4.532 4.740 0.006 0.000 0.188 364 N C 2.098 177.591 175.510 -0.029 0.000 1.024 364 N CA 1.400 54.434 53.050 -0.026 0.000 0.852 364 N CB 0.035 38.509 38.487 -0.022 0.000 1.003 364 N HN 0.269 nan 8.380 nan 0.000 0.424 365 R N 0.510 120.993 120.500 -0.029 0.000 2.081 365 R HA 0.010 4.354 4.340 0.006 0.000 0.235 365 R C 2.413 178.696 176.300 -0.029 0.000 1.131 365 R CA 0.963 57.048 56.100 -0.026 0.000 0.960 365 R CB -0.138 30.149 30.300 -0.022 0.000 0.856 365 R HN 0.257 nan 8.270 nan 0.000 0.436 366 I N 0.819 121.366 120.570 -0.038 0.000 2.163 366 I HA -0.347 3.826 4.170 0.006 0.000 0.243 366 I C 2.080 178.165 176.117 -0.052 0.000 1.085 366 I CA 1.572 62.839 61.300 -0.055 0.000 1.347 366 I CB -0.194 37.746 38.000 -0.101 0.000 1.044 366 I HN 0.166 nan 8.210 nan 0.000 0.408 367 K N -0.202 120.169 120.400 -0.048 0.000 2.097 367 K HA -0.125 4.198 4.320 0.006 0.000 0.206 367 K C 2.102 178.684 176.600 -0.031 0.000 1.049 367 K CA 1.752 58.016 56.287 -0.039 0.000 0.933 367 K CB -0.227 32.253 32.500 -0.033 0.000 0.717 367 K HN 0.295 nan 8.250 nan 0.000 0.442 368 T N 0.621 115.158 114.554 -0.028 0.000 2.852 368 T HA 0.023 4.376 4.350 0.006 0.000 0.256 368 T C 0.532 175.218 174.700 -0.023 0.000 1.038 368 T CA 0.753 62.840 62.100 -0.023 0.000 1.141 368 T CB 0.090 68.946 68.868 -0.020 0.000 0.869 368 T HN 0.160 nan 8.240 nan 0.000 0.439 369 N N 1.152 119.837 118.700 -0.025 0.000 2.707 369 N HA 0.171 4.914 4.740 0.006 0.000 0.249 369 N C -2.504 172.987 175.510 -0.032 0.000 1.299 369 N CA -0.868 52.167 53.050 -0.025 0.000 0.769 369 N CB 2.279 40.755 38.487 -0.018 0.000 1.236 369 N HN 0.197 nan 8.380 nan 0.000 0.524 370 P HA -0.032 nan 4.420 nan 0.000 0.226 370 P C 0.501 177.756 177.300 -0.075 0.000 1.153 370 P CA 0.866 63.929 63.100 -0.060 0.000 0.777 370 P CB 0.511 32.166 31.700 -0.074 0.000 0.794 371 N N 0.072 118.735 118.700 -0.062 0.000 2.461 371 N HA -0.031 4.712 4.740 0.006 0.000 0.188 371 N C 0.454 175.953 175.510 -0.019 0.000 1.134 371 N CA 0.384 53.397 53.050 -0.060 0.000 0.878 371 N CB -0.543 37.917 38.487 -0.045 0.000 0.972 371 N HN 0.181 nan 8.380 nan 0.000 0.456 372 D N 1.150 121.544 120.400 -0.010 0.000 2.533 372 D HA -0.035 4.608 4.640 0.006 0.000 0.236 372 D C 0.711 177.033 176.300 0.037 0.000 1.137 372 D CA 0.251 54.256 54.000 0.009 0.000 0.867 372 D CB 0.707 41.509 40.800 0.003 0.000 1.170 372 D HN 0.077 nan 8.370 nan 0.000 0.474 373 R N 2.660 123.187 120.500 0.046 0.000 2.335 373 R HA 0.123 4.467 4.340 0.006 0.000 0.223 373 R C 0.748 177.083 176.300 0.059 0.000 0.940 373 R CA 0.212 56.356 56.100 0.074 0.000 1.086 373 R CB 0.437 30.779 30.300 0.070 0.000 1.073 373 R HN 0.203 nan 8.270 nan 0.000 0.504 374 R N 0.453 120.972 120.500 0.032 0.000 2.652 374 R HA 0.222 4.565 4.340 0.006 0.000 0.372 374 R C -0.481 175.803 176.300 -0.028 0.000 1.104 374 R CA -0.159 55.942 56.100 0.002 0.000 1.072 374 R CB 0.608 30.901 30.300 -0.012 0.000 1.367 374 R HN 0.013 nan 8.270 nan 0.000 0.577 375 L N 1.970 123.197 121.223 0.007 0.000 2.384 375 L HA 0.336 4.679 4.340 0.006 0.000 0.258 375 L C -0.350 176.466 176.870 -0.090 0.000 1.266 375 L CA 0.243 55.093 54.840 0.017 0.000 1.162 375 L CB -0.150 41.990 42.059 0.136 0.000 1.375 375 L HN 0.107 nan 8.230 nan 0.000 0.420 376 I N 1.200 121.626 120.570 -0.240 0.000 2.608 376 I HA 0.425 4.598 4.170 0.006 0.000 0.295 376 I C -0.584 175.131 176.117 -0.669 0.000 1.049 376 I CA -0.768 60.223 61.300 -0.515 0.000 1.063 376 I CB 2.913 40.610 38.000 -0.504 0.000 1.248 376 I HN -0.076 nan 8.210 nan 0.000 0.424 377 V N 4.782 124.043 119.914 -1.088 0.000 2.448 377 V HA 0.342 4.465 4.120 0.006 0.000 0.295 377 V C -0.715 174.849 176.094 -0.884 0.000 1.025 377 V CA -0.590 61.090 62.300 -1.034 0.000 0.859 377 V CB 1.649 32.595 31.823 -1.463 0.000 0.988 377 V HN 0.850 nan 8.190 nan 0.000 0.431 378 C N 3.951 122.983 119.300 -0.446 0.000 2.319 378 C HA 0.574 5.038 4.460 0.006 0.000 0.323 378 C C 1.347 176.494 174.990 0.263 0.000 1.277 378 C CA -0.118 58.838 59.018 -0.103 0.000 1.517 378 C CB 1.060 28.794 27.740 -0.011 0.000 2.206 378 C HN 0.935 nan 8.230 nan 0.000 0.486 379 S N 3.845 119.795 115.700 0.417 0.000 2.540 379 S HA 0.118 4.591 4.470 0.006 0.000 0.218 379 S C 0.305 175.130 174.600 0.375 0.000 0.977 379 S CA -0.330 58.134 58.200 0.440 0.000 0.918 379 S CB 0.037 63.533 63.200 0.493 0.000 0.806 379 S HN 0.884 nan 8.310 nan 0.000 0.496 380 W N 4.366 125.837 121.300 0.285 0.000 2.072 380 W HA 0.302 4.966 4.660 0.006 0.000 0.413 380 W C -0.507 176.155 176.519 0.238 0.000 0.865 380 W CA -0.566 56.906 57.345 0.212 0.000 1.579 380 W CB -0.350 29.228 29.460 0.197 0.000 1.720 380 W HN 0.073 nan 8.180 nan 0.000 0.301 381 N N 3.687 122.337 118.700 -0.082 0.000 2.558 381 N HA 0.042 4.786 4.740 0.006 0.000 0.233 381 N C 0.848 176.179 175.510 -0.297 0.000 1.038 381 N CA 0.004 52.952 53.050 -0.169 0.000 0.934 381 N CB 1.142 39.305 38.487 -0.540 0.000 1.175 381 N HN 0.129 nan 8.380 nan 0.000 0.512 382 V N 2.547 122.373 119.914 -0.146 0.000 2.332 382 V HA -0.225 3.899 4.120 0.006 0.000 0.248 382 V C 1.985 177.994 176.094 -0.142 0.000 1.055 382 V CA 1.794 64.000 62.300 -0.157 0.000 1.038 382 V CB -0.566 31.303 31.823 0.077 0.000 0.651 382 V HN 0.599 nan 8.190 nan 0.000 0.450 383 S N -0.288 115.351 115.700 -0.100 0.000 2.442 383 S HA -0.167 4.307 4.470 0.006 0.000 0.236 383 S C 1.460 175.984 174.600 -0.127 0.000 1.007 383 S CA 1.313 59.462 58.200 -0.086 0.000 0.965 383 S CB -0.263 62.903 63.200 -0.057 0.000 0.773 383 S HN 0.608 nan 8.310 nan 0.000 0.504 384 D N 0.618 120.896 120.400 -0.204 0.000 2.379 384 D HA 0.248 4.891 4.640 0.006 0.000 0.208 384 D C 1.650 177.804 176.300 -0.243 0.000 1.065 384 D CA -0.015 53.850 54.000 -0.224 0.000 0.848 384 D CB -0.068 40.565 40.800 -0.279 0.000 0.949 384 D HN 0.267 nan 8.370 nan 0.000 0.509 385 L N 1.313 122.371 121.223 -0.274 0.000 1.990 385 L HA -0.225 4.119 4.340 0.006 0.000 0.213 385 L C 2.257 179.053 176.870 -0.124 0.000 1.072 385 L CA 1.474 56.146 54.840 -0.279 0.000 0.755 385 L CB -0.600 41.266 42.059 -0.321 0.000 0.889 385 L HN 0.140 nan 8.230 nan 0.000 0.432 386 K N 0.483 120.845 120.400 -0.064 0.000 2.585 386 K HA -0.158 4.166 4.320 0.006 0.000 0.194 386 K C 1.214 177.914 176.600 0.167 0.000 1.037 386 K CA 1.178 57.482 56.287 0.029 0.000 0.964 386 K CB -0.125 32.373 32.500 -0.003 0.000 0.787 386 K HN 0.371 nan 8.250 nan 0.000 0.488 387 K N 0.429 120.864 120.400 0.059 0.000 2.358 387 K HA 0.243 4.566 4.320 0.006 0.000 0.200 387 K C 0.101 176.504 176.600 -0.328 0.000 1.030 387 K CA -0.084 56.208 56.287 0.009 0.000 1.097 387 K CB 0.435 32.844 32.500 -0.150 0.000 0.862 387 K HN 0.150 nan 8.250 nan 0.000 0.534 388 M N -0.384 119.101 119.600 -0.191 0.000 2.472 388 M HA 0.378 4.862 4.480 0.006 0.000 0.331 388 M C 0.759 177.073 176.300 0.024 0.000 1.170 388 M CA -0.470 54.682 55.300 -0.246 0.000 1.009 388 M CB 1.704 34.173 32.600 -0.219 0.000 1.672 388 M HN -0.103 nan 8.290 nan 0.000 0.453 389 A N 1.939 124.805 122.820 0.077 0.000 2.021 389 A HA 0.294 4.618 4.320 0.006 0.000 0.216 389 A C 0.501 178.256 177.584 0.285 0.000 1.163 389 A CA 0.869 53.112 52.037 0.343 0.000 0.676 389 A CB 0.204 19.486 19.000 0.470 0.000 0.818 389 A HN 0.609 nan 8.150 nan 0.000 0.453 390 L N 0.708 122.076 121.223 0.242 0.000 2.333 390 L HA 0.484 4.827 4.340 0.006 0.000 0.280 390 L C -2.533 174.404 176.870 0.113 0.000 1.004 390 L CA -1.988 52.981 54.840 0.216 0.000 0.820 390 L CB 1.809 44.020 42.059 0.255 0.000 1.247 390 L HN -0.044 nan 8.230 nan 0.000 0.416 391 P HA 0.204 nan 4.420 nan 0.000 0.269 391 P C -2.563 174.816 177.300 0.132 0.000 1.215 391 P CA -1.073 62.050 63.100 0.037 0.000 0.780 391 P CB -0.254 31.553 31.700 0.178 0.000 0.898 392 P HA 0.013 nan 4.420 nan 0.000 0.266 392 P C 0.165 177.729 177.300 0.441 0.000 1.195 392 P CA 0.193 63.336 63.100 0.071 0.000 0.768 392 P CB 0.277 32.004 31.700 0.043 0.000 0.838 393 C N 0.593 120.210 119.300 0.529 0.000 2.587 393 C HA 0.028 4.491 4.460 0.006 0.000 0.287 393 C C 1.066 176.388 174.990 0.554 0.000 1.374 393 C CA 0.316 59.647 59.018 0.521 0.000 1.770 393 C CB -1.623 26.423 27.740 0.511 0.000 2.137 393 C HN 0.694 nan 8.230 nan 0.000 0.550 394 H N 0.080 119.503 119.070 0.589 0.000 3.014 394 H HA 0.342 4.901 4.556 0.006 0.000 0.266 394 H C 0.756 176.476 175.328 0.652 0.000 1.455 394 H CA -0.146 56.196 56.048 0.490 0.000 1.402 394 H CB -0.337 29.650 29.762 0.375 0.000 1.626 394 H HN 0.540 nan 8.280 nan 0.000 0.520 395 C N 1.125 120.788 119.300 0.605 0.000 2.906 395 C HA 0.441 4.904 4.460 0.006 0.000 0.274 395 C C 0.028 175.391 174.990 0.621 0.000 1.257 395 C CA -0.801 58.586 59.018 0.615 0.000 1.695 395 C CB -1.564 26.551 27.740 0.625 0.000 1.958 395 C HN 0.717 nan 8.230 nan 0.000 0.619 396 F N 2.117 122.289 119.950 0.370 0.000 2.639 396 F HA 0.614 5.144 4.527 0.006 0.000 0.326 396 F C -1.371 174.587 175.800 0.263 0.000 1.150 396 F CA -1.458 56.669 58.000 0.211 0.000 1.057 396 F CB 1.153 40.199 39.000 0.076 0.000 1.300 396 F HN 0.214 nan 8.300 nan 0.000 0.486 397 F N 3.104 122.900 119.950 -0.258 0.000 2.613 397 F HA 0.755 5.286 4.527 0.006 0.000 0.314 397 F C -1.611 173.919 175.800 -0.449 0.000 1.075 397 F CA -0.940 56.906 58.000 -0.256 0.000 0.945 397 F CB 1.875 40.721 39.000 -0.256 0.000 1.310 397 F HN 0.577 nan 8.300 nan 0.000 0.467 398 Q N 1.977 121.687 119.800 -0.151 0.000 2.305 398 Q HA 0.527 4.870 4.340 0.006 0.000 0.271 398 Q C -2.221 173.724 176.000 -0.092 0.000 1.046 398 Q CA -0.605 55.092 55.803 -0.176 0.000 0.798 398 Q CB 2.060 30.808 28.738 0.016 0.000 1.286 398 Q HN 0.690 nan 8.270 nan 0.000 0.435 399 F N 2.191 122.215 119.950 0.124 0.000 2.408 399 F HA 0.580 5.111 4.527 0.006 0.000 0.325 399 F C -0.575 175.352 175.800 0.212 0.000 1.082 399 F CA -0.405 57.698 58.000 0.172 0.000 1.032 399 F CB 1.209 40.280 39.000 0.118 0.000 1.259 399 F HN 0.527 nan 8.300 nan 0.000 0.503 400 Y N 0.349 120.833 120.300 0.306 0.000 2.482 400 Y HA 0.637 5.190 4.550 0.006 0.000 0.334 400 Y C -1.999 173.978 175.900 0.129 0.000 1.091 400 Y CA -1.066 57.135 58.100 0.167 0.000 1.027 400 Y CB 1.451 39.993 38.460 0.136 0.000 1.306 400 Y HN 0.326 nan 8.280 nan 0.000 0.446 401 V N 4.615 124.288 119.914 -0.401 0.000 2.540 401 V HA 0.752 4.876 4.120 0.006 0.000 0.302 401 V C -0.742 175.036 176.094 -0.527 0.000 1.035 401 V CA -0.558 61.558 62.300 -0.307 0.000 0.873 401 V CB 1.548 33.268 31.823 -0.171 0.000 0.992 401 V HN 0.728 nan 8.190 nan 0.000 0.428 402 S N 2.563 118.113 115.700 -0.250 0.000 2.543 402 S HA 0.512 4.986 4.470 0.006 0.000 0.271 402 S C -0.419 174.166 174.600 -0.025 0.000 1.148 402 S CA -0.319 57.792 58.200 -0.148 0.000 0.914 402 S CB 1.338 64.520 63.200 -0.030 0.000 1.096 402 S HN 1.003 nan 8.310 nan 0.000 0.471 403 D N 2.786 123.176 120.400 -0.018 0.000 2.708 403 D HA -0.183 4.461 4.640 0.006 0.000 0.236 403 D C 0.069 176.371 176.300 0.002 0.000 1.146 403 D CA 1.718 55.721 54.000 0.005 0.000 0.662 403 D CB -1.679 39.139 40.800 0.030 0.000 1.059 403 D HN 0.817 nan 8.370 nan 0.000 0.428 404 N N -1.305 117.384 118.700 -0.018 0.000 2.741 404 N HA -0.245 4.499 4.740 0.006 0.000 0.250 404 N C -0.849 174.660 175.510 -0.002 0.000 1.115 404 N CA 1.572 54.613 53.050 -0.015 0.000 0.724 404 N CB -0.574 37.909 38.487 -0.006 0.000 1.090 404 N HN 0.598 nan 8.380 nan 0.000 0.558 405 K N 0.044 120.449 120.400 0.008 0.000 2.345 405 K HA 0.501 4.825 4.320 0.006 0.000 0.255 405 K C -0.838 175.794 176.600 0.054 0.000 0.934 405 K CA -0.965 55.345 56.287 0.039 0.000 0.801 405 K CB 2.118 34.659 32.500 0.068 0.000 1.137 405 K HN -0.006 nan 8.250 nan 0.000 0.424 406 L N 1.985 123.244 121.223 0.060 0.000 2.276 406 L HA 0.341 4.685 4.340 0.006 0.000 0.286 406 L C -0.736 176.256 176.870 0.203 0.000 1.061 406 L CA 0.523 55.417 54.840 0.090 0.000 0.807 406 L CB 1.265 43.319 42.059 -0.008 0.000 1.177 406 L HN 0.540 nan 8.230 nan 0.000 0.429 407 S N 3.279 119.169 115.700 0.316 0.000 2.689 407 S HA 0.723 5.196 4.470 0.006 0.000 0.306 407 S C -1.275 173.618 174.600 0.488 0.000 1.104 407 S CA -0.614 57.803 58.200 0.362 0.000 0.973 407 S CB 1.706 65.098 63.200 0.320 0.000 1.121 407 S HN 0.838 nan 8.310 nan 0.000 0.523 408 C N 2.483 122.036 119.300 0.421 0.000 2.782 408 C HA 0.766 5.229 4.460 0.006 0.000 0.328 408 C C -0.991 174.153 174.990 0.257 0.000 1.145 408 C CA -0.634 58.601 59.018 0.361 0.000 1.358 408 C CB 0.543 28.534 27.740 0.418 0.000 1.841 408 C HN 0.986 nan 8.230 nan 0.000 0.477 409 M N 7.742 127.425 119.600 0.139 0.000 2.321 409 M HA 0.639 5.123 4.480 0.006 0.000 0.315 409 M C -1.240 175.131 176.300 0.118 0.000 1.052 409 M CA -0.349 54.990 55.300 0.065 0.000 0.936 409 M CB 1.597 34.221 32.600 0.040 0.000 1.639 409 M HN 0.816 nan 8.290 nan 0.000 0.433 410 M N 4.363 124.008 119.600 0.075 0.000 2.393 410 M HA 0.334 4.817 4.480 0.006 0.000 0.316 410 M C -1.971 174.431 176.300 0.170 0.000 1.087 410 M CA -0.304 55.050 55.300 0.089 0.000 0.937 410 M CB 1.675 34.114 32.600 -0.268 0.000 1.668 410 M HN 0.967 nan 8.290 nan 0.000 0.438 411 H N 2.984 122.169 119.070 0.192 0.000 2.556 411 H HA 0.368 4.927 4.556 0.006 0.000 0.310 411 H C -1.086 174.371 175.328 0.215 0.000 1.057 411 H CA -0.088 56.060 56.048 0.167 0.000 1.264 411 H CB 0.924 30.764 29.762 0.129 0.000 1.404 411 H HN 0.689 nan 8.280 nan 0.000 0.462 412 Q N 5.477 125.341 119.800 0.106 0.000 2.372 412 Q HA 0.149 4.492 4.340 0.006 0.000 0.259 412 Q C 1.147 177.241 176.000 0.156 0.000 0.993 412 Q CA -0.676 55.279 55.803 0.254 0.000 0.854 412 Q CB 0.796 29.733 28.738 0.333 0.000 1.231 412 Q HN 0.844 nan 8.270 nan 0.000 0.462 413 R N 2.218 122.907 120.500 0.315 0.000 2.081 413 R HA -0.041 4.303 4.340 0.006 0.000 0.235 413 R C -0.021 176.425 176.300 0.243 0.000 1.131 413 R CA 1.369 57.633 56.100 0.274 0.000 0.960 413 R CB 0.249 30.700 30.300 0.253 0.000 0.856 413 R HN 0.433 nan 8.270 nan 0.000 0.436 414 S N -0.908 114.959 115.700 0.279 0.000 2.619 414 S HA 0.430 4.903 4.470 0.006 0.000 0.280 414 S C -1.479 173.281 174.600 0.267 0.000 1.150 414 S CA -0.943 57.448 58.200 0.317 0.000 0.978 414 S CB 1.622 65.033 63.200 0.351 0.000 1.041 414 S HN 0.309 nan 8.310 nan 0.000 0.485 415 C N 4.153 123.520 119.300 0.112 0.000 2.455 415 C HA 0.456 4.919 4.460 0.006 0.000 0.321 415 C C -0.328 174.396 174.990 -0.443 0.000 1.102 415 C CA -1.132 57.858 59.018 -0.048 0.000 1.413 415 C CB 0.046 27.767 27.740 -0.032 0.000 1.952 415 C HN 0.910 nan 8.230 nan 0.000 0.428 416 D N 2.435 122.689 120.400 -0.243 0.000 2.359 416 D HA 0.121 4.764 4.640 0.006 0.000 0.250 416 D C 0.883 177.153 176.300 -0.050 0.000 1.264 416 D CA 0.027 53.906 54.000 -0.202 0.000 0.911 416 D CB 0.577 41.496 40.800 0.199 0.000 1.056 416 D HN 0.559 nan 8.370 nan 0.000 0.499 417 L N 3.328 124.490 121.223 -0.101 0.000 2.093 417 L HA -0.008 4.336 4.340 0.006 0.000 0.208 417 L C 2.389 179.372 176.870 0.188 0.000 1.085 417 L CA 1.203 56.070 54.840 0.044 0.000 0.755 417 L CB -0.201 41.813 42.059 -0.076 0.000 0.904 417 L HN 0.524 nan 8.230 nan 0.000 0.435 418 G N -0.199 108.715 108.800 0.190 0.000 2.464 418 G HA2 -0.183 3.780 3.960 0.006 0.000 0.214 418 G HA3 -0.183 3.780 3.960 0.006 0.000 0.214 418 G C 1.532 176.479 174.900 0.079 0.000 1.218 418 G CA 0.588 45.787 45.100 0.165 0.000 0.794 418 G HN 0.215 nan 8.290 nan 0.000 0.542 419 L N -0.178 121.088 121.223 0.073 0.000 2.316 419 L HA 0.255 4.599 4.340 0.006 0.000 0.207 419 L C 2.998 179.802 176.870 -0.109 0.000 1.070 419 L CA 0.715 55.520 54.840 -0.057 0.000 0.820 419 L CB -0.062 41.947 42.059 -0.083 0.000 0.992 419 L HN 0.349 nan 8.230 nan 0.000 0.466 420 G N -0.620 108.173 108.800 -0.012 0.000 2.417 420 G HA2 -0.114 3.850 3.960 0.006 0.000 0.212 420 G HA3 -0.114 3.850 3.960 0.006 0.000 0.212 420 G C 1.520 176.489 174.900 0.115 0.000 1.187 420 G CA 0.533 45.632 45.100 -0.002 0.000 0.804 420 G HN 0.066 nan 8.290 nan 0.000 0.534 421 V N 2.215 122.214 119.914 0.141 0.000 2.324 421 V HA -0.128 3.995 4.120 0.006 0.000 0.250 421 V C 0.238 176.400 176.094 0.113 0.000 1.060 421 V CA 2.310 64.726 62.300 0.193 0.000 1.042 421 V CB -1.027 30.921 31.823 0.208 0.000 0.650 421 V HN 0.283 nan 8.190 nan 0.000 0.450 422 P HA -0.117 nan 4.420 nan 0.000 0.217 422 P C 1.604 178.913 177.300 0.015 0.000 1.150 422 P CA 1.341 64.371 63.100 -0.116 0.000 0.832 422 P CB -0.112 31.528 31.700 -0.100 0.000 0.787 423 F N 0.179 120.058 119.950 -0.119 0.000 2.095 423 F HA -0.185 4.345 4.527 0.006 0.000 0.298 423 F C 1.969 177.694 175.800 -0.125 0.000 1.104 423 F CA 1.569 59.499 58.000 -0.115 0.000 1.232 423 F CB -1.696 37.264 39.000 -0.066 0.000 0.987 423 F HN -0.052 nan 8.300 nan 0.000 0.475 424 N N 0.214 119.003 118.700 0.149 0.000 2.120 424 N HA -0.169 4.575 4.740 0.006 0.000 0.188 424 N C 1.902 177.375 175.510 -0.062 0.000 1.024 424 N CA 1.486 54.577 53.050 0.068 0.000 0.852 424 N CB -0.330 38.264 38.487 0.178 0.000 1.003 424 N HN 0.171 nan 8.380 nan 0.000 0.424 425 I N 0.846 121.392 120.570 -0.040 0.000 2.127 425 I HA -0.298 3.876 4.170 0.006 0.000 0.241 425 I C 2.384 178.207 176.117 -0.491 0.000 1.075 425 I CA 1.237 62.435 61.300 -0.170 0.000 1.334 425 I CB -0.353 37.466 38.000 -0.300 0.000 1.040 425 I HN 0.194 nan 8.210 nan 0.000 0.405 426 A N -0.656 121.867 122.820 -0.495 0.000 1.898 426 A HA -0.198 4.125 4.320 0.006 0.000 0.216 426 A C 2.465 179.848 177.584 -0.334 0.000 1.181 426 A CA 1.987 53.686 52.037 -0.562 0.000 0.620 426 A CB -0.779 17.940 19.000 -0.468 0.000 0.819 426 A HN 0.377 nan 8.150 nan 0.000 0.442 427 S N -1.621 113.881 115.700 -0.330 0.000 2.353 427 S HA -0.184 4.289 4.470 0.006 0.000 0.222 427 S C 1.888 176.183 174.600 -0.508 0.000 1.035 427 S CA 1.682 59.671 58.200 -0.353 0.000 1.025 427 S CB -0.504 62.501 63.200 -0.325 0.000 0.902 427 S HN 0.620 nan 8.310 nan 0.000 0.440 428 Y N 1.584 121.524 120.300 -0.599 0.000 2.373 428 Y HA 0.024 4.577 4.550 0.006 0.000 0.293 428 Y C 2.914 178.368 175.900 -0.743 0.000 1.129 428 Y CA 1.172 58.777 58.100 -0.825 0.000 1.226 428 Y CB -0.283 37.357 38.460 -1.367 0.000 1.000 428 Y HN 0.252 nan 8.280 nan 0.000 0.549 429 S N 0.137 115.493 115.700 -0.574 0.000 2.368 429 S HA -0.163 4.310 4.470 0.006 0.000 0.224 429 S C 2.015 176.586 174.600 -0.048 0.000 1.029 429 S CA 1.390 59.434 58.200 -0.260 0.000 0.988 429 S CB -0.435 62.576 63.200 -0.316 0.000 0.838 429 S HN 0.365 nan 8.310 nan 0.000 0.462 430 I N 1.146 121.692 120.570 -0.040 0.000 2.142 430 I HA -0.189 3.984 4.170 0.006 0.000 0.240 430 I C 2.352 178.342 176.117 -0.212 0.000 1.078 430 I CA 0.868 62.081 61.300 -0.146 0.000 1.343 430 I CB -0.408 37.463 38.000 -0.215 0.000 1.046 430 I HN 0.224 nan 8.210 nan 0.000 0.405 431 L N 0.537 121.624 121.223 -0.226 0.000 2.013 431 L HA -0.240 4.104 4.340 0.006 0.000 0.212 431 L C 2.500 179.340 176.870 -0.050 0.000 1.073 431 L CA 2.218 56.958 54.840 -0.168 0.000 0.753 431 L CB -0.929 40.976 42.059 -0.257 0.000 0.890 431 L HN 0.200 nan 8.230 nan 0.000 0.432 432 T N -0.149 114.415 114.554 0.016 0.000 2.708 432 T HA -0.176 4.177 4.350 0.006 0.000 0.266 432 T C 1.913 176.609 174.700 -0.007 0.000 1.037 432 T CA 1.437 63.614 62.100 0.129 0.000 1.146 432 T CB -0.641 68.357 68.868 0.217 0.000 0.865 432 T HN 0.549 nan 8.240 nan 0.000 0.435 433 A N 1.316 124.108 122.820 -0.046 0.000 1.908 433 A HA -0.095 4.229 4.320 0.006 0.000 0.218 433 A C 2.341 179.847 177.584 -0.130 0.000 1.181 433 A CA 1.681 53.670 52.037 -0.080 0.000 0.627 433 A CB -0.714 18.222 19.000 -0.107 0.000 0.818 433 A HN 0.475 nan 8.150 nan 0.000 0.445 434 M N -0.867 118.592 119.600 -0.234 0.000 2.086 434 M HA -0.132 4.351 4.480 0.006 0.000 0.261 434 M C 2.111 178.382 176.300 -0.048 0.000 1.067 434 M CA 1.553 56.680 55.300 -0.290 0.000 1.116 434 M CB -0.497 31.795 32.600 -0.514 0.000 1.348 434 M HN 0.233 nan 8.290 nan 0.000 0.407 435 V N 0.464 120.320 119.914 -0.096 0.000 2.343 435 V HA -0.264 3.860 4.120 0.006 0.000 0.247 435 V C 2.652 178.660 176.094 -0.143 0.000 1.051 435 V CA 1.993 64.205 62.300 -0.147 0.000 1.036 435 V CB -1.340 30.256 31.823 -0.378 0.000 0.654 435 V HN 0.534 nan 8.190 nan 0.000 0.451 436 A N -0.466 122.278 122.820 -0.128 0.000 1.908 436 A HA -0.342 3.982 4.320 0.006 0.000 0.218 436 A C 2.273 179.840 177.584 -0.029 0.000 1.181 436 A CA 2.338 54.327 52.037 -0.080 0.000 0.627 436 A CB -0.583 18.392 19.000 -0.042 0.000 0.818 436 A HN 0.635 nan 8.150 nan 0.000 0.445 437 Q N 0.118 119.923 119.800 0.009 0.000 2.050 437 Q HA -0.147 4.196 4.340 0.006 0.000 0.202 437 Q C 1.954 177.985 176.000 0.051 0.000 0.980 437 Q CA 2.709 58.546 55.803 0.056 0.000 0.840 437 Q CB -0.423 28.400 28.738 0.142 0.000 0.898 437 Q HN 0.692 nan 8.270 nan 0.000 0.424 438 V N -1.749 118.207 119.914 0.070 0.000 2.759 438 V HA -0.127 3.997 4.120 0.006 0.000 0.256 438 V C 1.721 177.811 176.094 -0.006 0.000 1.080 438 V CA 1.460 63.782 62.300 0.038 0.000 1.101 438 V CB -0.606 31.254 31.823 0.062 0.000 0.698 438 V HN 0.503 nan 8.190 nan 0.000 0.477 439 C N 1.463 120.747 119.300 -0.028 0.000 2.855 439 C HA 0.668 5.132 4.460 0.006 0.000 0.279 439 C C 1.880 176.849 174.990 -0.035 0.000 1.270 439 C CA -0.011 58.980 59.018 -0.045 0.000 1.702 439 C CB -1.180 26.511 27.740 -0.081 0.000 1.949 439 C HN 1.010 nan 8.230 nan 0.000 0.618 440 G N 1.462 110.250 108.800 -0.020 0.000 2.246 440 G HA2 -0.236 3.727 3.960 0.006 0.000 0.273 440 G HA3 -0.236 3.727 3.960 0.006 0.000 0.273 440 G C -0.248 174.643 174.900 -0.015 0.000 1.055 440 G CA 0.121 45.213 45.100 -0.013 0.000 0.851 440 G HN 0.556 nan 8.290 nan 0.000 0.500 441 L N -0.494 120.717 121.223 -0.020 0.000 2.322 441 L HA 0.783 5.126 4.340 0.006 0.000 0.269 441 L C 1.363 178.231 176.870 -0.003 0.000 1.012 441 L CA -0.726 54.103 54.840 -0.018 0.000 0.815 441 L CB 1.598 43.634 42.059 -0.037 0.000 1.295 441 L HN 0.224 nan 8.230 nan 0.000 0.438 442 G N 0.844 109.649 108.800 0.008 0.000 2.588 442 G HA2 0.490 4.454 3.960 0.006 0.000 0.278 442 G HA3 0.490 4.454 3.960 0.006 0.000 0.278 442 G C -0.657 174.263 174.900 0.034 0.000 1.307 442 G CA -0.614 44.500 45.100 0.023 0.000 1.016 442 G HN 0.371 nan 8.290 nan 0.000 0.503 443 L N 0.348 121.601 121.223 0.050 0.000 2.307 443 L HA 0.541 4.884 4.340 0.006 0.000 0.284 443 L C 1.120 178.047 176.870 0.095 0.000 1.023 443 L CA -0.472 54.411 54.840 0.071 0.000 0.810 443 L CB 1.810 43.911 42.059 0.070 0.000 1.231 443 L HN 0.729 nan 8.230 nan 0.000 0.423 444 G N 2.337 111.212 108.800 0.125 0.000 3.434 444 G HA2 0.392 4.356 3.960 0.006 0.000 0.192 444 G HA3 0.392 4.356 3.960 0.006 0.000 0.192 444 G C -0.581 174.417 174.900 0.163 0.000 1.704 444 G CA -0.195 44.992 45.100 0.146 0.000 0.936 444 G HN 0.554 nan 8.290 nan 0.000 0.623 445 E N -0.918 119.395 120.200 0.188 0.000 2.256 445 E HA 0.436 4.789 4.350 0.006 0.000 0.267 445 E C -1.792 174.981 176.600 0.287 0.000 0.892 445 E CA -0.725 55.794 56.400 0.198 0.000 0.775 445 E CB 2.829 32.599 29.700 0.117 0.000 1.207 445 E HN 0.188 nan 8.360 nan 0.000 0.420 446 F N 2.710 122.763 119.950 0.171 0.000 2.405 446 F HA 0.344 4.875 4.527 0.006 0.000 0.355 446 F C -1.042 174.871 175.800 0.187 0.000 1.121 446 F CA -0.836 57.270 58.000 0.177 0.000 1.112 446 F CB 0.714 39.816 39.000 0.170 0.000 1.126 446 F HN 0.108 nan 8.300 nan 0.000 0.481 447 V N 6.998 126.637 119.914 -0.457 0.000 2.370 447 V HA 0.231 4.355 4.120 0.006 0.000 0.283 447 V C -0.634 175.023 176.094 -0.728 0.000 1.023 447 V CA -0.661 61.355 62.300 -0.473 0.000 0.857 447 V CB 1.118 32.820 31.823 -0.202 0.000 0.985 447 V HN 0.805 nan 8.190 nan 0.000 0.443 448 H N 5.087 123.723 119.070 -0.724 0.000 2.638 448 H HA 0.434 4.993 4.556 0.006 0.000 0.317 448 H C -0.550 174.640 175.328 -0.230 0.000 1.006 448 H CA -0.899 54.828 56.048 -0.536 0.000 1.222 448 H CB 0.777 30.339 29.762 -0.333 0.000 1.419 448 H HN 0.627 nan 8.280 nan 0.000 0.489 449 N N 6.138 124.854 118.700 0.027 0.000 2.422 449 N HA 0.187 4.931 4.740 0.006 0.000 0.266 449 N C -0.733 174.678 175.510 -0.165 0.000 1.007 449 N CA -0.337 52.644 53.050 -0.115 0.000 0.941 449 N CB 1.723 40.116 38.487 -0.156 0.000 1.115 449 N HN 0.532 nan 8.380 nan 0.000 0.492 450 L N 1.645 122.740 121.223 -0.214 0.000 2.272 450 L HA 0.513 4.856 4.340 0.006 0.000 0.289 450 L C 1.180 177.880 176.870 -0.284 0.000 1.032 450 L CA -0.564 54.164 54.840 -0.187 0.000 0.810 450 L CB 1.446 43.446 42.059 -0.099 0.000 1.205 450 L HN 0.509 nan 8.230 nan 0.000 0.422 451 A N 2.683 125.323 122.820 -0.300 0.000 2.353 451 A HA 0.005 4.328 4.320 0.006 0.000 0.218 451 A C 0.510 178.029 177.584 -0.108 0.000 1.760 451 A CA 0.273 52.054 52.037 -0.426 0.000 0.638 451 A CB -0.163 18.755 19.000 -0.137 0.000 1.280 451 A HN 0.686 nan 8.150 nan 0.000 0.511 452 D N 0.943 121.476 120.400 0.222 0.000 2.359 452 D HA 0.457 5.100 4.640 0.006 0.000 0.250 452 D C -0.441 176.015 176.300 0.260 0.000 1.264 452 D CA 0.293 54.495 54.000 0.337 0.000 0.911 452 D CB 0.385 41.387 40.800 0.336 0.000 1.056 452 D HN 0.438 nan 8.370 nan 0.000 0.499 453 A N 5.465 128.416 122.820 0.218 0.000 2.260 453 A HA 0.541 4.864 4.320 0.006 0.000 0.308 453 A C -0.311 177.324 177.584 0.084 0.000 1.254 453 A CA -0.601 51.485 52.037 0.082 0.000 0.874 453 A CB 0.493 19.554 19.000 0.102 0.000 1.153 453 A HN 0.748 nan 8.150 nan 0.000 0.527 454 H N 0.496 119.559 119.070 -0.011 0.000 2.980 454 H HA 0.687 5.247 4.556 0.006 0.000 0.367 454 H C -1.846 173.410 175.328 -0.120 0.000 1.206 454 H CA -1.183 54.819 56.048 -0.077 0.000 1.126 454 H CB 1.344 31.005 29.762 -0.168 0.000 1.838 454 H HN 0.413 nan 8.280 nan 0.000 0.552 455 I N 2.460 123.038 120.570 0.014 0.000 2.410 455 I HA 0.149 4.323 4.170 0.006 0.000 0.286 455 I C -0.701 175.414 176.117 -0.003 0.000 1.009 455 I CA -0.839 60.471 61.300 0.017 0.000 1.111 455 I CB 1.115 39.133 38.000 0.031 0.000 1.262 455 I HN 0.409 nan 8.210 nan 0.000 0.443 456 Y N 4.844 125.156 120.300 0.020 0.000 2.597 456 Y HA -0.038 4.516 4.550 0.006 0.000 0.336 456 Y C 1.619 177.477 175.900 -0.070 0.000 1.216 456 Y CA 0.081 58.097 58.100 -0.141 0.000 1.463 456 Y CB 0.728 38.887 38.460 -0.501 0.000 1.303 456 Y HN 0.492 nan 8.280 nan 0.000 0.576 457 V N -0.528 119.469 119.914 0.139 0.000 2.490 457 V HA -0.247 3.876 4.120 0.006 0.000 0.250 457 V C 1.379 177.550 176.094 0.129 0.000 1.061 457 V CA 2.043 64.437 62.300 0.157 0.000 1.064 457 V CB -0.469 31.420 31.823 0.110 0.000 0.670 457 V HN 0.884 nan 8.190 nan 0.000 0.461 458 D N -0.840 119.608 120.400 0.080 0.000 2.363 458 D HA -0.107 4.536 4.640 0.006 0.000 0.226 458 D C 1.515 177.959 176.300 0.239 0.000 1.020 458 D CA 0.993 55.056 54.000 0.106 0.000 0.892 458 D CB -1.042 39.796 40.800 0.063 0.000 0.900 458 D HN 0.757 nan 8.370 nan 0.000 0.531 459 H N -0.821 118.319 119.070 0.118 0.000 2.622 459 H HA 0.187 4.746 4.556 0.006 0.000 0.269 459 H C 1.830 177.186 175.328 0.046 0.000 0.977 459 H CA -0.297 55.802 56.048 0.086 0.000 1.179 459 H CB 1.032 30.865 29.762 0.118 0.000 1.458 459 H HN -0.047 nan 8.280 nan 0.000 0.531 460 V N 1.416 121.424 119.914 0.158 0.000 2.252 460 V HA -0.312 3.811 4.120 0.006 0.000 0.249 460 V C 1.776 177.888 176.094 0.029 0.000 1.056 460 V CA 2.164 64.494 62.300 0.049 0.000 1.022 460 V CB -0.250 31.598 31.823 0.042 0.000 0.641 460 V HN 0.483 nan 8.190 nan 0.000 0.445 461 D N 0.120 120.557 120.400 0.061 0.000 2.097 461 D HA -0.129 4.515 4.640 0.006 0.000 0.195 461 D C 2.235 178.556 176.300 0.036 0.000 0.989 461 D CA 1.671 55.701 54.000 0.051 0.000 0.827 461 D CB -0.528 40.304 40.800 0.055 0.000 0.966 461 D HN 0.438 nan 8.370 nan 0.000 0.456 462 A N 0.788 123.632 122.820 0.039 0.000 1.892 462 A HA -0.194 4.129 4.320 0.006 0.000 0.218 462 A C 2.479 180.064 177.584 0.001 0.000 1.188 462 A CA 2.621 54.667 52.037 0.014 0.000 0.631 462 A CB -0.927 18.069 19.000 -0.006 0.000 0.822 462 A HN 0.262 nan 8.150 nan 0.000 0.447 463 V N -3.286 116.627 119.914 -0.002 0.000 2.719 463 V HA -0.088 4.035 4.120 0.006 0.000 0.252 463 V C 2.103 178.167 176.094 -0.051 0.000 1.065 463 V CA 2.378 64.657 62.300 -0.035 0.000 1.086 463 V CB -1.573 30.213 31.823 -0.061 0.000 0.700 463 V HN 0.401 nan 8.190 nan 0.000 0.467 464 T N 1.142 115.677 114.554 -0.031 0.000 2.684 464 T HA -0.180 4.173 4.350 0.006 0.000 0.267 464 T C 1.939 176.651 174.700 0.019 0.000 1.036 464 T CA 2.513 64.629 62.100 0.027 0.000 1.148 464 T CB -0.664 68.262 68.868 0.097 0.000 0.863 464 T HN 0.662 nan 8.240 nan 0.000 0.436 465 T N 1.708 116.265 114.554 0.006 0.000 2.720 465 T HA -0.164 4.189 4.350 0.006 0.000 0.268 465 T C 2.053 176.728 174.700 -0.042 0.000 1.037 465 T CA 1.450 63.543 62.100 -0.011 0.000 1.144 465 T CB -0.291 68.574 68.868 -0.006 0.000 0.864 465 T HN 0.446 nan 8.240 nan 0.000 0.444 466 Q N 0.601 120.376 119.800 -0.042 0.000 2.079 466 Q HA -0.060 4.283 4.340 0.006 0.000 0.200 466 Q C 2.370 178.319 176.000 -0.085 0.000 0.974 466 Q CA 1.257 57.022 55.803 -0.064 0.000 0.840 466 Q CB -0.299 28.430 28.738 -0.015 0.000 0.898 466 Q HN 0.776 nan 8.270 nan 0.000 0.430 467 I N -2.522 118.013 120.570 -0.059 0.000 2.916 467 I HA 0.021 4.195 4.170 0.006 0.000 0.267 467 I C 1.799 177.893 176.117 -0.038 0.000 1.263 467 I CA 1.064 62.335 61.300 -0.050 0.000 1.471 467 I CB -0.264 37.712 38.000 -0.040 0.000 1.089 467 I HN 0.052 nan 8.210 nan 0.000 0.468 468 A N 1.213 124.001 122.820 -0.052 0.000 2.178 468 A HA 0.188 4.512 4.320 0.006 0.000 0.211 468 A C 1.306 178.830 177.584 -0.100 0.000 1.157 468 A CA -0.052 51.956 52.037 -0.049 0.000 0.780 468 A CB -0.223 18.757 19.000 -0.033 0.000 0.828 468 A HN 0.408 nan 8.150 nan 0.000 0.476 469 R N 0.516 120.898 120.500 -0.198 0.000 2.390 469 R HA 0.354 4.698 4.340 0.006 0.000 0.291 469 R C -0.638 175.468 176.300 -0.323 0.000 1.070 469 R CA -0.487 55.377 56.100 -0.394 0.000 1.014 469 R CB 0.754 30.579 30.300 -0.793 0.000 1.007 469 R HN 0.194 nan 8.270 nan 0.000 0.466 470 I N 5.172 125.613 120.570 -0.215 0.000 2.452 470 I HA 0.132 4.306 4.170 0.006 0.000 0.287 470 I C -1.943 174.027 176.117 -0.244 0.000 1.079 470 I CA -2.609 58.597 61.300 -0.157 0.000 1.387 470 I CB 0.579 38.525 38.000 -0.089 0.000 1.404 470 I HN 0.253 nan 8.210 nan 0.000 0.522 471 P HA 0.042 nan 4.420 nan 0.000 0.265 471 P C -0.181 176.890 177.300 -0.381 0.000 1.193 471 P CA 0.319 63.091 63.100 -0.547 0.000 0.765 471 P CB 0.306 31.288 31.700 -1.198 0.000 0.823 472 H N 2.754 121.760 119.070 -0.105 0.000 2.546 472 H HA 0.229 4.789 4.556 0.006 0.000 0.365 472 H C -1.952 173.407 175.328 0.051 0.000 1.220 472 H CA -1.854 54.167 56.048 -0.044 0.000 1.386 472 H CB -0.366 29.356 29.762 -0.067 0.000 1.510 472 H HN 0.230 nan 8.280 nan 0.000 0.591 473 P HA -0.084 nan 4.420 nan 0.000 0.265 473 P C -0.018 177.389 177.300 0.178 0.000 1.193 473 P CA 0.250 63.384 63.100 0.056 0.000 0.765 473 P CB 0.096 31.778 31.700 -0.030 0.000 0.823 474 F N 4.784 124.772 119.950 0.063 0.000 2.589 474 F HA 0.064 4.594 4.527 0.006 0.000 0.352 474 F C -1.115 174.720 175.800 0.059 0.000 1.168 474 F CA -1.539 56.505 58.000 0.074 0.000 1.353 474 F CB -0.995 37.991 39.000 -0.024 0.000 1.116 474 F HN 0.330 nan 8.300 nan 0.000 0.608 475 P HA 0.257 nan 4.420 nan 0.000 0.307 475 P C -1.097 176.289 177.300 0.144 0.000 1.306 475 P CA -0.387 62.841 63.100 0.212 0.000 0.742 475 P CB 0.945 32.789 31.700 0.240 0.000 1.349 476 R N -1.337 119.209 120.500 0.076 0.000 2.771 476 R HA 0.749 5.092 4.340 0.006 0.000 0.274 476 R C -1.351 174.899 176.300 -0.084 0.000 0.987 476 R CA -1.170 54.950 56.100 0.034 0.000 0.908 476 R CB 0.742 31.050 30.300 0.013 0.000 1.213 476 R HN 0.264 nan 8.270 nan 0.000 0.468 477 L N 1.116 122.247 121.223 -0.153 0.000 2.307 477 L HA 0.690 5.034 4.340 0.006 0.000 0.284 477 L C -0.596 176.155 176.870 -0.199 0.000 1.023 477 L CA -0.064 54.566 54.840 -0.350 0.000 0.810 477 L CB 1.494 43.201 42.059 -0.587 0.000 1.231 477 L HN 0.961 nan 8.230 nan 0.000 0.423 478 R N 5.865 126.252 120.500 -0.188 0.000 2.388 478 R HA 0.681 5.024 4.340 0.006 0.000 0.314 478 R C -1.389 174.849 176.300 -0.104 0.000 0.959 478 R CA -0.440 55.597 56.100 -0.105 0.000 0.851 478 R CB 0.281 30.544 30.300 -0.062 0.000 1.168 478 R HN 0.750 nan 8.270 nan 0.000 0.472 479 L N 1.685 122.867 121.223 -0.068 0.000 2.375 479 L HA 0.383 4.726 4.340 0.006 0.000 0.271 479 L C 0.565 177.472 176.870 0.062 0.000 1.107 479 L CA -1.194 53.648 54.840 0.003 0.000 0.806 479 L CB 1.479 43.567 42.059 0.048 0.000 1.146 479 L HN 0.724 nan 8.230 nan 0.000 0.447 480 N N 4.089 122.850 118.700 0.102 0.000 2.429 480 N HA 0.013 4.756 4.740 0.006 0.000 0.271 480 N C -1.665 173.879 175.510 0.056 0.000 1.272 480 N CA -1.377 51.708 53.050 0.059 0.000 0.921 480 N CB 0.854 39.364 38.487 0.039 0.000 1.128 480 N HN 0.306 nan 8.380 nan 0.000 0.481 481 P HA -0.017 nan 4.420 nan 0.000 0.230 481 P C -0.103 177.189 177.300 -0.013 0.000 1.158 481 P CA 0.744 63.856 63.100 0.021 0.000 0.769 481 P CB 0.439 32.148 31.700 0.016 0.000 0.807 482 D N -0.455 119.924 120.400 -0.034 0.000 2.355 482 D HA 0.022 4.665 4.640 0.006 0.000 0.218 482 D C 0.792 177.022 176.300 -0.118 0.000 1.004 482 D CA 0.361 54.324 54.000 -0.061 0.000 0.880 482 D CB 0.039 40.807 40.800 -0.052 0.000 0.911 482 D HN 0.158 nan 8.370 nan 0.000 0.528 483 I N 1.831 122.289 120.570 -0.186 0.000 2.452 483 I HA 0.047 4.220 4.170 0.006 0.000 0.287 483 I C 1.526 177.460 176.117 -0.306 0.000 1.079 483 I CA 0.145 61.215 61.300 -0.383 0.000 1.387 483 I CB 0.902 38.363 38.000 -0.899 0.000 1.404 483 I HN -0.180 nan 8.210 nan 0.000 0.522 484 R N 4.120 124.479 120.500 -0.235 0.000 2.206 484 R HA 0.201 4.545 4.340 0.006 0.000 0.198 484 R C -0.123 176.106 176.300 -0.119 0.000 0.986 484 R CA 0.300 56.319 56.100 -0.134 0.000 1.029 484 R CB 0.211 30.457 30.300 -0.091 0.000 0.966 484 R HN 0.586 nan 8.270 nan 0.000 0.487 485 N N 0.597 119.196 118.700 -0.168 0.000 2.269 485 N HA 0.171 4.914 4.740 0.006 0.000 0.304 485 N C 0.637 176.097 175.510 -0.083 0.000 1.072 485 N CA -0.314 52.684 53.050 -0.088 0.000 0.802 485 N CB 2.614 41.065 38.487 -0.061 0.000 1.348 485 N HN -0.120 nan 8.380 nan 0.000 0.484 486 I N 1.390 122.011 120.570 0.084 0.000 2.361 486 I HA -0.253 3.921 4.170 0.006 0.000 0.251 486 I C 1.326 177.593 176.117 0.250 0.000 1.133 486 I CA 1.581 63.053 61.300 0.288 0.000 1.413 486 I CB 0.329 38.475 38.000 0.244 0.000 1.073 486 I HN 0.484 nan 8.210 nan 0.000 0.424 487 E N 0.648 120.917 120.200 0.115 0.000 2.265 487 E HA -0.213 4.141 4.350 0.006 0.000 0.196 487 E C 1.431 178.062 176.600 0.051 0.000 0.996 487 E CA 1.108 57.563 56.400 0.092 0.000 0.832 487 E CB -0.153 29.581 29.700 0.056 0.000 0.756 487 E HN 0.511 nan 8.360 nan 0.000 0.491 488 D N -0.625 119.750 120.400 -0.041 0.000 2.348 488 D HA -0.015 4.629 4.640 0.006 0.000 0.211 488 D C -0.274 175.946 176.300 -0.133 0.000 0.998 488 D CA 0.165 54.095 54.000 -0.116 0.000 0.873 488 D CB -0.026 40.650 40.800 -0.207 0.000 0.925 488 D HN 0.104 nan 8.370 nan 0.000 0.524 489 F N 1.642 121.590 119.950 -0.005 0.000 2.538 489 F HA 0.098 4.628 4.527 0.006 0.000 0.371 489 F C 1.679 177.468 175.800 -0.017 0.000 1.087 489 F CA -0.070 57.919 58.000 -0.018 0.000 1.250 489 F CB 0.452 39.437 39.000 -0.025 0.000 1.110 489 F HN -0.252 nan 8.300 nan 0.000 0.570 490 T N 0.666 115.308 114.554 0.147 0.000 2.919 490 T HA 0.387 4.741 4.350 0.006 0.000 0.282 490 T C 1.060 175.793 174.700 0.054 0.000 1.020 490 T CA -0.753 61.393 62.100 0.077 0.000 0.994 490 T CB 1.132 70.019 68.868 0.033 0.000 1.180 490 T HN 0.571 nan 8.240 nan 0.000 0.566 491 I N 0.493 121.069 120.570 0.009 0.000 2.286 491 I HA -0.127 4.047 4.170 0.006 0.000 0.248 491 I C 1.447 177.545 176.117 -0.031 0.000 1.115 491 I CA 1.814 63.096 61.300 -0.029 0.000 1.392 491 I CB -0.312 37.660 38.000 -0.047 0.000 1.065 491 I HN 0.749 nan 8.210 nan 0.000 0.418 492 D N 0.528 120.919 120.400 -0.015 0.000 2.309 492 D HA -0.172 4.472 4.640 0.006 0.000 0.212 492 D C 1.264 177.561 176.300 -0.004 0.000 0.968 492 D CA 0.914 54.904 54.000 -0.017 0.000 0.882 492 D CB -0.149 40.644 40.800 -0.012 0.000 0.918 492 D HN 0.418 nan 8.370 nan 0.000 0.503 493 D N 0.022 120.441 120.400 0.031 0.000 2.340 493 D HA 0.078 4.721 4.640 0.006 0.000 0.220 493 D C 0.262 176.596 176.300 0.057 0.000 1.039 493 D CA 0.322 54.371 54.000 0.081 0.000 0.866 493 D CB 0.660 41.574 40.800 0.191 0.000 0.913 493 D HN 0.302 nan 8.370 nan 0.000 0.523 494 I N 1.478 122.027 120.570 -0.036 0.000 2.464 494 I HA 0.153 4.327 4.170 0.006 0.000 0.277 494 I C -0.777 175.225 176.117 -0.191 0.000 1.040 494 I CA -0.515 60.694 61.300 -0.152 0.000 1.153 494 I CB 1.978 39.856 38.000 -0.205 0.000 1.274 494 I HN -0.408 nan 8.210 nan 0.000 0.469 495 V N 6.712 126.507 119.914 -0.197 0.000 2.409 495 V HA 0.384 4.507 4.120 0.006 0.000 0.291 495 V C 0.045 175.990 176.094 -0.248 0.000 1.020 495 V CA -0.753 61.440 62.300 -0.179 0.000 0.848 495 V CB 2.224 33.983 31.823 -0.107 0.000 0.990 495 V HN 0.295 nan 8.190 nan 0.000 0.430 496 V N 5.045 124.805 119.914 -0.258 0.000 2.383 496 V HA 0.420 4.543 4.120 0.006 0.000 0.275 496 V C 0.134 176.157 176.094 -0.118 0.000 1.036 496 V CA -0.501 61.638 62.300 -0.268 0.000 0.889 496 V CB 1.427 33.049 31.823 -0.335 0.000 0.985 496 V HN 0.815 nan 8.190 nan 0.000 0.459 497 E N 3.057 123.212 120.200 -0.075 0.000 2.214 497 E HA 0.328 4.681 4.350 0.006 0.000 0.274 497 E C -0.477 176.143 176.600 0.033 0.000 0.977 497 E CA -0.429 55.961 56.400 -0.018 0.000 0.827 497 E CB 1.365 31.055 29.700 -0.017 0.000 1.130 497 E HN 0.713 nan 8.360 nan 0.000 0.394 498 D N 1.043 121.467 120.400 0.039 0.000 2.800 498 D HA -0.245 4.398 4.640 0.006 0.000 0.232 498 D C -0.589 175.774 176.300 0.104 0.000 1.137 498 D CA 0.763 54.787 54.000 0.041 0.000 0.718 498 D CB -1.919 38.899 40.800 0.031 0.000 1.084 498 D HN 0.395 nan 8.370 nan 0.000 0.432 499 Y N 0.822 121.104 120.300 -0.030 0.000 2.436 499 Y HA 0.405 4.958 4.550 0.006 0.000 0.343 499 Y C -0.362 175.502 175.900 -0.060 0.000 1.008 499 Y CA -0.582 57.508 58.100 -0.017 0.000 1.241 499 Y CB 0.682 39.134 38.460 -0.014 0.000 1.153 499 Y HN -0.106 nan 8.280 nan 0.000 0.521 500 V N 6.763 126.470 119.914 -0.345 0.000 2.409 500 V HA 0.563 4.687 4.120 0.006 0.000 0.291 500 V C -0.556 175.118 176.094 -0.701 0.000 1.020 500 V CA -0.415 61.560 62.300 -0.541 0.000 0.848 500 V CB 1.343 32.877 31.823 -0.481 0.000 0.990 500 V HN 0.841 nan 8.190 nan 0.000 0.430 501 S N 3.454 118.728 115.700 -0.711 0.000 2.595 501 S HA 0.609 5.082 4.470 0.006 0.000 0.281 501 S C -0.616 173.875 174.600 -0.181 0.000 1.117 501 S CA -0.906 57.065 58.200 -0.382 0.000 0.873 501 S CB 1.628 64.504 63.200 -0.540 0.000 1.108 501 S HN 0.661 nan 8.310 nan 0.000 0.477 502 H N 0.904 120.015 119.070 0.070 0.000 2.730 502 H HA 0.288 4.848 4.556 0.006 0.000 0.376 502 H C -2.248 173.080 175.328 -0.001 0.000 1.299 502 H CA -0.442 55.644 56.048 0.064 0.000 1.447 502 H CB -0.047 29.745 29.762 0.050 0.000 1.493 502 H HN 0.418 nan 8.280 nan 0.000 0.619 503 P HA 0.029 nan 4.420 nan 0.000 0.272 503 P C -2.348 174.991 177.300 0.065 0.000 1.240 503 P CA -0.986 62.153 63.100 0.064 0.000 0.791 503 P CB -0.224 31.509 31.700 0.054 0.000 0.978 504 P HA 0.108 nan 4.420 nan 0.000 0.269 504 P C -0.566 176.753 177.300 0.031 0.000 1.209 504 P CA 0.755 63.882 63.100 0.044 0.000 0.776 504 P CB 0.347 32.069 31.700 0.036 0.000 0.876 505 I N 4.091 124.674 120.570 0.022 0.000 2.390 505 I HA 0.243 4.417 4.170 0.006 0.000 0.283 505 I C -2.072 174.033 176.117 -0.019 0.000 1.016 505 I CA -2.520 58.782 61.300 0.003 0.000 1.151 505 I CB 1.304 39.303 38.000 -0.001 0.000 1.293 505 I HN 0.104 nan 8.210 nan 0.000 0.458 506 P HA 0.228 nan 4.420 nan 0.000 0.265 506 P C -0.848 176.412 177.300 -0.067 0.000 1.193 506 P CA 0.192 63.274 63.100 -0.030 0.000 0.765 506 P CB 0.472 32.165 31.700 -0.011 0.000 0.823 507 M N 1.936 121.469 119.600 -0.111 0.000 2.224 507 M HA 0.478 4.962 4.480 0.006 0.000 0.281 507 M C 0.047 176.297 176.300 -0.084 0.000 1.025 507 M CA -0.717 54.449 55.300 -0.224 0.000 0.954 507 M CB 2.451 34.702 32.600 -0.581 0.000 1.639 507 M HN 0.332 nan 8.290 nan 0.000 0.461 508 A N 0.000 122.862 122.820 0.071 0.000 2.254 508 A HA 0.000 4.323 4.320 0.006 0.000 0.244 508 A CA 0.000 52.076 52.037 0.065 0.000 0.836 508 A CB 0.000 19.036 19.000 0.060 0.000 0.831 508 A HN 0.000 nan 8.150 nan 0.000 0.486