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 3afc_1_B DATA FIRST_RESID 19 DATA SEQUENCE GFPEDSEPIS ISHGNYTKQY PVFVGXXXXX XXXXXXRLDI QMIMIMNRTL DATA SEQUENCE YVAARDHIYT VDIDXXXXXE IYCSKKLTWK SRQADVDTcR MKGKHKDEcH DATA SEQUENCE NFIKVLLKKN DDTLFVcGTN AFNPScRNYR VDTLETFGDE FSGMARCPYD DATA SEQUENCE AKHANIALFA DGKLYSATVT DFLAIDAVIY RSLGDSPTLR TVKHDSKWLK DATA SEQUENCE EPYFVQAVDY GDYIYFFFRE IAVEYNTMGK VVFPRVAQVc KNDMGGSQRV DATA SEQUENCE LEKQWTSFLK ARLNcSVPGD SHFYFNILQA VTDVIRINGR DVVLATFSTP DATA SEQUENCE YNSIPGSAVc AYDMLDIANV FTGRFKEQKS PDSTWTPVPD ERVPKPRPGC DATA SEQUENCE cAGSSSLEKY ATSNEFPDDT LNFIKTHPLM DEAVPSIINR PWFLRTMVRY DATA SEQUENCE RLTKIAVDNA AGPYQNHTVV FLGSEKGIIL KFLARIGSSG FLNGSLFLEE DATA SEQUENCE MNVYNPEKcS YDGVEDKRIM GMQLDRASGS LYVAFSTcVI KVPLGRcERX DATA SEQUENCE XXXXKTCIAS RDPYcXXXXX XXXXXXXXXX XXXXXEQDIE 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 19 G HA2 0.000 nan 3.960 nan 0.000 0.244 19 G HA3 0.000 -7.030 3.960 -18.317 0.000 0.244 19 G C 0.000 174.918 174.900 0.030 0.000 0.946 19 G CA 0.000 45.110 45.100 0.017 0.000 0.502 20 F N 3.764 123.660 119.950 -0.090 0.000 2.604 20 F HA 0.310 -6.154 4.527 -18.319 0.000 0.393 20 F C -0.848 174.894 175.800 -0.096 0.000 1.043 20 F CA -0.943 56.992 58.000 -0.110 0.000 1.227 20 F CB 0.415 39.307 39.000 -0.179 0.000 1.016 20 F HN 0.277 nan 8.300 nan 0.000 0.556 21 P HA -0.131 nan 4.420 nan 0.000 0.259 21 P C -0.817 176.310 177.300 -0.289 0.000 1.163 21 P CA 0.355 63.175 63.100 -0.467 0.000 0.760 21 P CB 0.342 31.694 31.700 -0.580 0.000 0.762 22 E N 2.175 122.293 120.200 -0.136 0.000 2.229 22 E HA 0.062 -6.578 4.350 -18.317 0.000 0.283 22 E C -0.534 176.023 176.600 -0.073 0.000 1.030 22 E CA -0.635 55.732 56.400 -0.054 0.000 0.836 22 E CB 0.394 30.075 29.700 -0.032 0.000 1.068 22 E HN 0.333 nan 8.360 nan 0.000 0.401 23 D N 2.548 122.926 120.400 -0.037 0.000 2.502 23 D HA -0.054 -6.404 4.640 -18.317 0.000 0.249 23 D C -0.294 176.000 176.300 -0.010 0.000 1.188 23 D CA 0.561 54.537 54.000 -0.039 0.000 0.890 23 D CB 0.506 41.311 40.800 0.009 0.000 1.140 23 D HN 0.330 nan 8.370 nan 0.000 0.505 24 S N 2.436 118.136 115.700 -0.000 0.000 2.603 24 S HA 0.254 -6.266 4.470 -18.317 0.000 0.268 24 S C 0.275 174.923 174.600 0.080 0.000 1.317 24 S CA -0.885 57.338 58.200 0.039 0.000 1.012 24 S CB 1.484 64.715 63.200 0.052 0.000 0.926 24 S HN 0.387 nan 8.310 nan 0.000 0.539 25 E N 1.625 121.805 120.200 -0.033 0.000 2.248 25 E HA 0.367 -6.273 4.350 -18.317 0.000 0.272 25 E C -2.282 174.056 176.600 -0.437 0.000 1.008 25 E CA -2.403 53.879 56.400 -0.197 0.000 0.856 25 E CB 0.761 30.384 29.700 -0.129 0.000 1.120 25 E HN 0.514 nan 8.360 nan 0.000 0.397 26 P HA 0.012 nan 4.420 nan 0.000 0.268 26 P C 0.123 177.241 177.300 -0.304 0.000 1.208 26 P CA 0.482 63.046 63.100 -0.894 0.000 0.777 26 P CB 0.531 31.720 31.700 -0.853 0.000 0.875 27 I N -0.142 120.347 120.570 -0.135 0.000 3.855 27 I HA 0.116 -6.704 4.170 -18.317 0.000 0.327 27 I C 0.388 176.484 176.117 -0.035 0.000 1.359 27 I CA 0.664 61.933 61.300 -0.051 0.000 1.142 27 I CB -0.034 37.968 38.000 0.004 0.000 1.041 27 I HN 0.187 nan 8.210 nan 0.000 0.403 28 S N 0.850 116.512 115.700 -0.062 0.000 2.581 28 S HA 0.498 -6.022 4.470 -18.317 0.000 0.306 28 S C -0.696 173.863 174.600 -0.068 0.000 1.080 28 S CA -0.473 57.705 58.200 -0.037 0.000 0.925 28 S CB 1.333 64.537 63.200 0.006 0.000 1.128 28 S HN 0.054 nan 8.310 nan 0.000 0.451 29 I N 2.163 122.684 120.570 -0.082 0.000 2.493 29 I HA 0.632 -6.188 4.170 -18.317 0.000 0.298 29 I C 0.166 176.178 176.117 -0.175 0.000 0.998 29 I CA -0.410 60.802 61.300 -0.146 0.000 1.137 29 I CB 2.135 40.029 38.000 -0.176 0.000 1.310 29 I HN 0.463 nan 8.210 nan 0.000 0.445 30 S N 3.150 118.712 115.700 -0.230 0.000 2.568 30 S HA 0.650 -5.870 4.470 -18.317 0.000 0.293 30 S C -1.081 173.315 174.600 -0.341 0.000 1.089 30 S CA -0.443 57.647 58.200 -0.183 0.000 0.945 30 S CB 1.085 64.272 63.200 -0.022 0.000 1.077 30 S HN 0.573 nan 8.310 nan 0.000 0.485 31 H N -0.118 118.961 119.070 0.014 0.000 2.855 31 H HA 0.416 -6.018 4.556 -18.317 0.000 0.363 31 H C 1.352 176.669 175.328 -0.018 0.000 1.185 31 H CA -0.301 55.752 56.048 0.009 0.000 1.174 31 H CB 1.166 30.931 29.762 0.005 0.000 1.857 31 H HN 0.734 nan 8.280 nan 0.000 0.565 32 G N 0.309 109.196 108.800 0.144 0.000 2.499 32 G HA2 -0.359 -7.389 3.960 -18.317 0.000 0.221 32 G HA3 -0.359 -7.389 3.960 -18.317 0.000 0.221 32 G C 1.505 176.406 174.900 0.000 0.000 1.109 32 G CA 1.306 46.433 45.100 0.045 0.000 0.749 32 G HN 0.557 nan 8.290 nan 0.000 0.568 33 N N 0.307 119.029 118.700 0.036 0.000 2.007 33 N HA -0.182 -6.432 4.740 -18.317 0.000 0.197 33 N C 2.289 177.772 175.510 -0.045 0.000 1.050 33 N CA 2.623 55.673 53.050 0.001 0.000 0.856 33 N CB -0.938 37.566 38.487 0.029 0.000 1.050 33 N HN 0.495 nan 8.380 nan 0.000 0.423 34 Y N -0.372 119.902 120.300 -0.044 0.000 2.153 34 Y HA -0.081 -6.521 4.550 -18.317 0.000 0.289 34 Y C 2.973 178.677 175.900 -0.327 0.000 1.127 34 Y CA 2.396 60.421 58.100 -0.124 0.000 1.131 34 Y CB -1.805 36.615 38.460 -0.066 0.000 0.995 34 Y HN 0.459 nan 8.280 nan 0.000 0.505 35 T N -1.483 112.859 114.554 -0.353 0.000 2.977 35 T HA -0.198 -6.838 4.350 -18.317 0.000 0.271 35 T C 1.776 176.154 174.700 -0.538 0.000 1.105 35 T CA 1.361 63.058 62.100 -0.671 0.000 1.116 35 T CB -0.656 68.103 68.868 -0.181 0.000 0.878 35 T HN 0.641 nan 8.240 nan 0.000 0.509 36 K N 1.138 121.369 120.400 -0.283 0.000 2.144 36 K HA -0.252 -6.922 4.320 -18.317 0.000 0.209 36 K C 2.462 178.960 176.600 -0.169 0.000 1.047 36 K CA 2.033 58.213 56.287 -0.178 0.000 0.927 36 K CB -0.203 32.224 32.500 -0.121 0.000 0.716 36 K HN 0.711 nan 8.250 nan 0.000 0.454 37 Q N -0.278 119.384 119.800 -0.230 0.000 2.360 37 Q HA -0.047 -6.697 4.340 -18.317 0.000 0.202 37 Q C -0.539 175.465 176.000 0.007 0.000 0.915 37 Q CA -0.055 55.683 55.803 -0.108 0.000 0.943 37 Q CB 0.118 28.808 28.738 -0.081 0.000 1.064 37 Q HN 0.129 nan 8.270 nan 0.000 0.511 38 Y N 2.889 123.172 120.300 -0.028 0.000 2.610 38 Y HA 0.216 -6.225 4.550 -18.318 0.000 0.332 38 Y C -1.834 174.045 175.900 -0.036 0.000 1.201 38 Y CA -2.651 55.428 58.100 -0.035 0.000 1.465 38 Y CB -0.434 38.005 38.460 -0.035 0.000 1.283 38 Y HN 0.140 nan 8.280 nan 0.000 0.563 39 P HA 0.158 nan 4.420 nan 0.000 0.269 39 P C -1.000 176.336 177.300 0.060 0.000 1.209 39 P CA -0.021 63.109 63.100 0.051 0.000 0.776 39 P CB 0.725 32.442 31.700 0.028 0.000 0.876 40 V N 2.982 122.912 119.914 0.026 0.000 2.789 40 V HA 0.432 -6.438 4.120 -18.317 0.000 0.311 40 V C -0.607 175.514 176.094 0.045 0.000 1.073 40 V CA -0.655 61.675 62.300 0.050 0.000 0.921 40 V CB 1.741 33.563 31.823 -0.001 0.000 1.009 40 V HN 0.405 nan 8.190 nan 0.000 0.426 41 F N 5.065 124.992 119.950 -0.038 0.000 2.420 41 F HA 0.637 -5.827 4.527 -18.319 0.000 0.342 41 F C 0.602 176.355 175.800 -0.079 0.000 1.113 41 F CA -0.291 57.655 58.000 -0.091 0.000 1.059 41 F CB 1.846 40.802 39.000 -0.073 0.000 1.128 41 F HN 0.293 nan 8.300 nan 0.000 0.475 42 V N 2.564 121.838 119.914 -1.067 0.000 3.411 42 V HA 0.723 -6.147 4.120 -18.317 0.000 0.287 42 V C 0.520 176.000 176.094 -1.023 0.000 1.543 42 V CA 0.291 62.078 62.300 -0.855 0.000 1.028 42 V CB -0.291 31.269 31.823 -0.438 0.000 0.840 42 V HN 1.573 nan 8.190 nan 0.000 0.435 56 L N 0.449 121.800 121.223 0.213 0.000 2.202 56 L HA 0.101 -6.549 4.340 -18.317 0.000 0.205 56 L C -0.281 176.744 176.870 0.257 0.000 1.083 56 L CA 0.342 55.324 54.840 0.237 0.000 0.790 56 L CB -0.195 41.985 42.059 0.202 0.000 0.942 56 L HN 0.780 nan 8.230 nan 0.000 0.452 57 D N 1.386 121.920 120.400 0.224 0.000 2.828 57 D HA -0.148 -6.498 4.640 -18.317 0.000 0.241 57 D C -0.168 176.292 176.300 0.267 0.000 1.142 57 D CA 0.629 54.782 54.000 0.256 0.000 0.755 57 D CB -1.070 39.965 40.800 0.392 0.000 1.014 57 D HN 0.203 nan 8.370 nan 0.000 0.420 58 I N 1.259 121.967 120.570 0.230 0.000 2.618 58 I HA -0.117 -6.937 4.170 -18.317 0.000 0.284 58 I C 1.847 178.069 176.117 0.176 0.000 1.146 58 I CA 0.166 61.603 61.300 0.229 0.000 1.425 58 I CB 0.803 38.940 38.000 0.229 0.000 1.383 58 I HN 0.040 nan 8.210 nan 0.000 0.562 59 Q N 6.291 126.192 119.800 0.169 0.000 2.390 59 Q HA 0.271 -6.379 4.340 -18.317 0.000 0.216 59 Q C 0.018 176.076 176.000 0.098 0.000 0.916 59 Q CA 0.890 56.763 55.803 0.116 0.000 0.911 59 Q CB 0.589 29.397 28.738 0.117 0.000 1.035 59 Q HN 0.798 nan 8.270 nan 0.000 0.541 60 M N -0.897 118.771 119.600 0.112 0.000 2.790 60 M HA 0.549 -5.961 4.480 -18.317 0.000 0.272 60 M C -1.476 174.888 176.300 0.107 0.000 1.168 60 M CA -0.982 54.374 55.300 0.095 0.000 0.829 60 M CB 1.972 34.620 32.600 0.080 0.000 1.675 60 M HN -0.063 nan 8.290 nan 0.000 0.505 61 I N 0.119 120.742 120.570 0.088 0.000 2.730 61 I HA 0.924 -5.896 4.170 -18.317 0.000 0.298 61 I C -1.184 174.981 176.117 0.079 0.000 1.089 61 I CA -1.015 60.336 61.300 0.085 0.000 1.041 61 I CB 2.434 40.469 38.000 0.058 0.000 1.235 61 I HN 0.998 nan 8.210 nan 0.000 0.423 62 M N 3.887 123.548 119.600 0.102 0.000 2.413 62 M HA 0.614 -5.896 4.480 -18.317 0.000 0.287 62 M C -1.892 174.491 176.300 0.138 0.000 1.186 62 M CA -0.617 54.745 55.300 0.103 0.000 0.927 62 M CB 2.216 34.877 32.600 0.101 0.000 1.715 62 M HN 0.505 nan 8.290 nan 0.000 0.478 63 I N 2.898 123.516 120.570 0.080 0.000 2.396 63 I HA 0.520 -6.300 4.170 -18.317 0.000 0.292 63 I C -0.723 175.473 176.117 0.132 0.000 0.999 63 I CA -0.322 61.013 61.300 0.057 0.000 1.310 63 I CB 1.521 39.520 38.000 -0.002 0.000 1.404 63 I HN 0.745 nan 8.210 nan 0.000 0.496 64 M N 5.360 125.067 119.600 0.179 0.000 2.213 64 M HA 0.274 -6.236 4.480 -18.317 0.000 0.286 64 M C 0.169 176.538 176.300 0.115 0.000 1.008 64 M CA -0.240 55.170 55.300 0.183 0.000 0.937 64 M CB 1.742 34.520 32.600 0.296 0.000 1.600 64 M HN 0.759 nan 8.290 nan 0.000 0.450 65 N N 1.513 120.256 118.700 0.071 0.000 1.629 65 N HA -0.234 -6.483 4.740 -18.317 0.000 0.153 65 N C -0.112 175.402 175.510 0.007 0.000 0.652 65 N CA 1.844 54.916 53.050 0.038 0.000 1.156 65 N CB -0.188 38.324 38.487 0.041 0.000 1.324 65 N HN 0.701 nan 8.380 nan 0.000 0.449 66 R N 0.320 120.809 120.500 -0.018 0.000 2.613 66 R HA 0.292 -6.358 4.340 -18.317 0.000 0.361 66 R C -0.398 175.834 176.300 -0.112 0.000 1.072 66 R CA 0.555 56.626 56.100 -0.049 0.000 1.089 66 R CB -0.393 29.887 30.300 -0.033 0.000 1.343 66 R HN 0.686 nan 8.270 nan 0.000 0.571 67 T N -1.783 112.674 114.554 -0.162 0.000 2.841 67 T HA 0.452 -6.188 4.350 -18.317 0.000 0.285 67 T C -0.257 174.187 174.700 -0.426 0.000 0.991 67 T CA -0.848 61.053 62.100 -0.331 0.000 0.966 67 T CB 1.979 70.578 68.868 -0.448 0.000 0.962 67 T HN 0.010 nan 8.240 nan 0.000 0.438 68 L N 3.885 124.835 121.223 -0.454 0.000 2.319 68 L HA 0.493 -6.157 4.340 -18.317 0.000 0.280 68 L C -1.362 175.235 176.870 -0.454 0.000 1.099 68 L CA -0.342 54.245 54.840 -0.421 0.000 0.828 68 L CB -0.116 41.608 42.059 -0.558 0.000 1.150 68 L HN 0.684 nan 8.230 nan 0.000 0.442 69 Y N 4.188 124.416 120.300 -0.121 0.000 2.328 69 Y HA 0.492 -5.948 4.550 -18.317 0.000 0.337 69 Y C -0.089 175.790 175.900 -0.036 0.000 1.008 69 Y CA -0.635 57.426 58.100 -0.066 0.000 1.129 69 Y CB 1.626 40.071 38.460 -0.024 0.000 1.185 69 Y HN 0.271 nan 8.280 nan 0.000 0.476 70 V N 3.988 123.987 119.914 0.143 0.000 2.293 70 V HA 0.532 -6.338 4.120 -18.317 0.000 0.275 70 V C 0.072 176.321 176.094 0.258 0.000 1.021 70 V CA -1.047 61.370 62.300 0.195 0.000 0.815 70 V CB 0.650 32.606 31.823 0.221 0.000 1.025 70 V HN 0.882 nan 8.190 nan 0.000 0.448 71 A N 4.424 127.362 122.820 0.198 0.000 2.347 71 A HA 0.862 -5.808 4.320 -18.317 0.000 0.287 71 A C 0.436 178.140 177.584 0.201 0.000 1.199 71 A CA 0.531 52.665 52.037 0.161 0.000 0.851 71 A CB 0.474 19.540 19.000 0.110 0.000 1.118 71 A HN 1.246 nan 8.150 nan 0.000 0.525 72 A N 2.734 125.677 122.820 0.205 0.000 2.701 72 A HA 0.790 -5.880 4.320 -18.317 0.000 0.290 72 A C 0.097 177.777 177.584 0.160 0.000 1.267 72 A CA -0.736 51.452 52.037 0.253 0.000 0.709 72 A CB 0.419 19.652 19.000 0.388 0.000 1.352 72 A HN 0.851 nan 8.150 nan 0.000 0.519 73 R N -0.005 120.586 120.500 0.151 0.000 2.401 73 R HA 0.310 -6.340 4.340 -18.317 0.000 0.299 73 R C -0.604 175.549 176.300 -0.245 0.000 1.064 73 R CA 0.870 56.884 56.100 -0.143 0.000 1.000 73 R CB -0.074 30.113 30.300 -0.189 0.000 0.973 73 R HN 0.672 nan 8.270 nan 0.000 0.438 74 D N 0.523 120.675 120.400 -0.413 0.000 2.554 74 D HA -0.211 -6.560 4.640 -18.317 0.000 0.178 74 D C -0.459 175.431 176.300 -0.684 0.000 1.054 74 D CA 1.861 55.509 54.000 -0.586 0.000 1.052 74 D CB -0.592 39.750 40.800 -0.763 0.000 1.112 74 D HN 0.659 nan 8.370 nan 0.000 0.448 75 H N -1.139 117.839 119.070 -0.153 0.000 2.985 75 H HA 0.696 -5.738 4.556 -18.317 0.000 0.360 75 H C -0.045 175.129 175.328 -0.257 0.000 1.221 75 H CA -0.565 55.315 56.048 -0.281 0.000 1.121 75 H CB 1.400 30.783 29.762 -0.632 0.000 1.854 75 H HN -0.097 nan 8.280 nan 0.000 0.551 76 I N 2.353 122.836 120.570 -0.145 0.000 2.439 76 I HA 0.187 -6.633 4.170 -18.317 0.000 0.285 76 I C -0.877 175.162 176.117 -0.129 0.000 1.021 76 I CA -0.604 60.652 61.300 -0.073 0.000 1.091 76 I CB 0.967 38.962 38.000 -0.007 0.000 1.242 76 I HN 0.304 nan 8.210 nan 0.000 0.439 77 Y N 3.456 123.818 120.300 0.103 0.000 2.354 77 Y HA 0.551 -5.891 4.550 -18.319 0.000 0.322 77 Y C 1.014 176.843 175.900 -0.117 0.000 1.253 77 Y CA -0.644 57.462 58.100 0.010 0.000 1.272 77 Y CB 1.344 39.829 38.460 0.043 0.000 1.255 77 Y HN 0.485 nan 8.280 nan 0.000 0.500 78 T N -1.437 113.097 114.554 -0.035 0.000 2.887 78 T HA 0.781 -5.858 4.350 -18.317 0.000 0.288 78 T C -1.289 173.236 174.700 -0.290 0.000 1.021 78 T CA -0.839 61.105 62.100 -0.259 0.000 1.000 78 T CB 1.420 70.120 68.868 -0.280 0.000 1.034 78 T HN 0.387 nan 8.240 nan 0.000 0.467 79 V N 2.517 122.204 119.914 -0.379 0.000 2.482 79 V HA 0.313 -6.557 4.120 -18.317 0.000 0.295 79 V C -0.875 175.059 176.094 -0.267 0.000 1.026 79 V CA -1.015 61.092 62.300 -0.320 0.000 0.856 79 V CB 1.736 33.305 31.823 -0.424 0.000 1.001 79 V HN 0.974 nan 8.190 nan 0.000 0.424 80 D N 4.938 125.241 120.400 -0.162 0.000 2.389 80 D HA 0.143 -6.207 4.640 -18.317 0.000 0.263 80 D C 1.178 177.419 176.300 -0.098 0.000 1.255 80 D CA 0.194 54.124 54.000 -0.118 0.000 0.914 80 D CB 1.340 42.105 40.800 -0.059 0.000 1.116 80 D HN 0.460 nan 8.370 nan 0.000 0.502 81 I N 0.943 121.445 120.570 -0.113 0.000 3.334 81 I HA -0.129 -6.949 4.170 -18.317 0.000 0.282 81 I C 0.600 176.726 176.117 0.015 0.000 1.313 81 I CA 0.673 61.940 61.300 -0.056 0.000 1.396 81 I CB -0.114 37.843 38.000 -0.071 0.000 1.054 81 I HN 0.099 nan 8.210 nan 0.000 0.495 89 I N 1.947 122.317 120.570 -0.332 0.000 2.392 89 I HA 0.368 -6.452 4.170 -18.317 0.000 0.295 89 I C -0.809 175.139 176.117 -0.281 0.000 0.985 89 I CA -0.573 60.605 61.300 -0.202 0.000 1.221 89 I CB 0.627 38.660 38.000 0.054 0.000 1.366 89 I HN 0.347 nan 8.210 nan 0.000 0.467 90 Y N 4.010 124.387 120.300 0.128 0.000 2.387 90 Y HA 0.292 -6.147 4.550 -18.316 0.000 0.336 90 Y C 0.379 176.345 175.900 0.110 0.000 1.067 90 Y CA -0.645 57.530 58.100 0.126 0.000 1.114 90 Y CB 1.636 40.131 38.460 0.059 0.000 1.208 90 Y HN 0.535 nan 8.280 nan 0.000 0.458 91 C N 3.459 122.974 119.300 0.359 0.000 2.595 91 C HA 0.131 -6.399 4.460 -18.317 0.000 0.374 91 C C 1.330 176.409 174.990 0.148 0.000 1.250 91 C CA -0.018 59.144 59.018 0.241 0.000 1.595 91 C CB -1.767 26.197 27.740 0.374 0.000 2.257 91 C HN 1.011 nan 8.230 nan 0.000 0.568 92 S N 4.094 119.830 115.700 0.059 0.000 2.395 92 S HA 0.081 -6.439 4.470 -18.317 0.000 0.225 92 S C 0.389 175.004 174.600 0.025 0.000 1.027 92 S CA 0.829 59.047 58.200 0.030 0.000 0.965 92 S CB 0.013 63.205 63.200 -0.013 0.000 0.812 92 S HN 0.872 nan 8.310 nan 0.000 0.482 93 K N 0.555 120.970 120.400 0.025 0.000 2.551 93 K HA 0.453 -6.217 4.320 -18.317 0.000 0.269 93 K C -1.604 175.029 176.600 0.054 0.000 0.949 93 K CA -0.745 55.561 56.287 0.032 0.000 0.849 93 K CB 2.317 34.823 32.500 0.011 0.000 1.411 93 K HN 0.255 nan 8.250 nan 0.000 0.432 94 K N 2.094 122.515 120.400 0.035 0.000 2.464 94 K HA 0.470 -6.200 4.320 -18.317 0.000 0.253 94 K C -1.485 175.090 176.600 -0.042 0.000 0.933 94 K CA -0.895 55.377 56.287 -0.026 0.000 0.801 94 K CB 1.919 34.366 32.500 -0.088 0.000 1.271 94 K HN 0.516 nan 8.250 nan 0.000 0.430 95 L N 1.454 122.630 121.223 -0.078 0.000 2.399 95 L HA 0.510 -6.140 4.340 -18.317 0.000 0.265 95 L C -1.048 175.845 176.870 0.038 0.000 1.089 95 L CA -0.121 54.674 54.840 -0.075 0.000 0.802 95 L CB 1.838 43.768 42.059 -0.215 0.000 1.180 95 L HN 0.902 nan 8.230 nan 0.000 0.454 96 T N 2.014 116.622 114.554 0.090 0.000 2.991 96 T HA 0.331 -6.309 4.350 -18.317 0.000 0.303 96 T C -1.732 173.082 174.700 0.191 0.000 1.015 96 T CA -0.215 61.995 62.100 0.185 0.000 1.007 96 T CB 1.102 70.105 68.868 0.225 0.000 1.034 96 T HN 0.590 nan 8.240 nan 0.000 0.446 97 W N 4.957 126.177 121.300 -0.134 0.000 2.362 97 W HA 0.402 -5.926 4.660 -18.314 0.000 0.286 97 W C -1.383 175.051 176.519 -0.140 0.000 1.036 97 W CA -1.416 55.883 57.345 -0.076 0.000 1.236 97 W CB 0.450 29.904 29.460 -0.010 0.000 1.142 97 W HN 0.457 nan 8.180 nan 0.000 0.317 98 K N 2.788 123.253 120.400 0.110 0.000 2.205 98 K HA 0.455 -6.215 4.320 -18.317 0.000 0.279 98 K C 0.649 177.243 176.600 -0.011 0.000 1.027 98 K CA -0.573 55.679 56.287 -0.058 0.000 0.932 98 K CB 1.581 34.061 32.500 -0.034 0.000 1.032 98 K HN 0.105 nan 8.250 nan 0.000 0.466 99 S N 2.036 117.665 115.700 -0.118 0.000 2.558 99 S HA 0.017 -6.503 4.470 -18.317 0.000 0.288 99 S C 0.360 174.971 174.600 0.020 0.000 1.318 99 S CA -0.142 58.020 58.200 -0.064 0.000 1.056 99 S CB 0.311 63.459 63.200 -0.087 0.000 0.853 99 S HN 0.373 nan 8.310 nan 0.000 0.505 100 R N 1.610 122.139 120.500 0.049 0.000 2.590 100 R HA 0.033 -6.617 4.340 -18.317 0.000 0.274 100 R C 1.403 177.720 176.300 0.029 0.000 1.061 100 R CA -0.301 55.828 56.100 0.048 0.000 1.081 100 R CB 0.201 30.535 30.300 0.056 0.000 0.984 100 R HN 0.572 nan 8.270 nan 0.000 0.448 101 Q N 2.661 122.477 119.800 0.027 0.000 2.197 101 Q HA -0.221 -6.871 4.340 -18.317 0.000 0.207 101 Q C 1.713 177.720 176.000 0.011 0.000 0.984 101 Q CA 2.411 58.225 55.803 0.018 0.000 0.869 101 Q CB -0.103 28.645 28.738 0.017 0.000 0.906 101 Q HN 0.785 nan 8.270 nan 0.000 0.426 102 A N 0.100 122.928 122.820 0.014 0.000 1.969 102 A HA -0.175 -6.845 4.320 -18.317 0.000 0.218 102 A C 1.732 179.322 177.584 0.010 0.000 1.169 102 A CA 1.600 53.643 52.037 0.010 0.000 0.635 102 A CB -0.469 18.538 19.000 0.012 0.000 0.810 102 A HN 0.420 nan 8.150 nan 0.000 0.445 103 D N -0.021 120.389 120.400 0.016 0.000 2.097 103 D HA -0.103 -6.453 4.640 -18.317 0.000 0.197 103 D C 2.130 178.441 176.300 0.018 0.000 0.984 103 D CA 1.550 55.563 54.000 0.021 0.000 0.826 103 D CB -0.376 40.437 40.800 0.021 0.000 0.973 103 D HN 0.238 nan 8.370 nan 0.000 0.460 104 V N 2.085 122.002 119.914 0.004 0.000 2.287 104 V HA -0.236 -7.106 4.120 -18.317 0.000 0.248 104 V C 1.983 178.063 176.094 -0.022 0.000 1.053 104 V CA 1.816 64.107 62.300 -0.016 0.000 1.027 104 V CB -0.470 31.339 31.823 -0.023 0.000 0.646 104 V HN 0.051 nan 8.190 nan 0.000 0.447 105 D N 0.037 120.427 120.400 -0.016 0.000 2.097 105 D HA -0.137 -6.486 4.640 -18.317 0.000 0.195 105 D C 2.304 178.588 176.300 -0.027 0.000 0.989 105 D CA 1.939 55.925 54.000 -0.023 0.000 0.827 105 D CB -0.629 40.161 40.800 -0.016 0.000 0.966 105 D HN 0.417 nan 8.370 nan 0.000 0.456 106 T N 0.411 114.954 114.554 -0.019 0.000 2.699 106 T HA -0.214 -6.854 4.350 -18.317 0.000 0.268 106 T C 2.199 176.877 174.700 -0.036 0.000 1.036 106 T CA 1.344 63.428 62.100 -0.028 0.000 1.147 106 T CB -0.748 68.114 68.868 -0.010 0.000 0.862 106 T HN 0.292 nan 8.240 nan 0.000 0.446 107 c N 2.128 120.729 118.600 0.000 0.000 2.462 107 c HA -0.038 -6.458 4.570 -18.317 0.000 0.278 107 c C 2.866 176.929 174.090 -0.046 0.000 1.253 107 c CA 0.596 56.936 56.329 0.018 0.000 1.713 107 c CB -0.966 41.597 42.510 0.090 0.000 2.049 107 c HN 0.393 nan 8.230 nan 0.000 0.477 108 R N 0.491 120.960 120.500 -0.052 0.000 2.119 108 R HA -0.118 -6.768 4.340 -18.317 0.000 0.246 108 R C 1.976 178.239 176.300 -0.061 0.000 1.146 108 R CA 1.420 57.480 56.100 -0.066 0.000 0.962 108 R CB -0.868 29.393 30.300 -0.066 0.000 0.863 108 R HN 0.545 nan 8.270 nan 0.000 0.442 109 M N 0.662 120.226 119.600 -0.061 0.000 2.686 109 M HA -0.054 -6.564 4.480 -18.317 0.000 0.246 109 M C 0.810 177.060 176.300 -0.083 0.000 1.096 109 M CA 1.082 56.344 55.300 -0.063 0.000 1.076 109 M CB -0.170 32.394 32.600 -0.059 0.000 1.504 109 M HN 0.022 nan 8.290 nan 0.000 0.524 110 K N -0.496 119.844 120.400 -0.100 0.000 2.397 110 K HA 0.306 -6.364 4.320 -18.317 0.000 0.202 110 K C 0.923 177.509 176.600 -0.023 0.000 1.022 110 K CA 0.286 56.499 56.287 -0.123 0.000 1.141 110 K CB 0.431 32.744 32.500 -0.312 0.000 0.857 110 K HN 0.387 nan 8.250 nan 0.000 0.514 111 G N 1.744 110.524 108.800 -0.034 0.000 2.132 111 G HA2 -0.213 -7.243 3.960 -18.317 0.000 0.234 111 G HA3 -0.213 -7.243 3.960 -18.317 0.000 0.234 111 G C -0.248 174.633 174.900 -0.031 0.000 0.989 111 G CA -0.226 44.863 45.100 -0.018 0.000 0.676 111 G HN 0.038 nan 8.290 nan 0.000 0.522 112 K N 0.583 120.937 120.400 -0.077 0.000 2.144 112 K HA 0.337 -6.333 4.320 -18.317 0.000 0.270 112 K C 0.378 176.957 176.600 -0.035 0.000 1.005 112 K CA -0.698 55.511 56.287 -0.131 0.000 0.932 112 K CB 0.821 33.112 32.500 -0.349 0.000 1.021 112 K HN 0.446 nan 8.250 nan 0.000 0.462 113 H N 2.884 121.915 119.070 -0.064 0.000 2.615 113 H HA 0.010 -6.424 4.556 -18.316 0.000 0.363 113 H C 0.923 176.242 175.328 -0.015 0.000 1.148 113 H CA 0.496 56.531 56.048 -0.022 0.000 1.401 113 H CB 1.100 30.863 29.762 0.003 0.000 1.461 113 H HN 0.539 nan 8.280 nan 0.000 0.588 114 K N 2.502 122.551 120.400 -0.585 0.000 2.152 114 K HA -0.172 -6.842 4.320 -18.317 0.000 0.206 114 K C 0.788 177.313 176.600 -0.124 0.000 1.048 114 K CA 1.890 57.983 56.287 -0.323 0.000 0.933 114 K CB 0.100 32.407 32.500 -0.322 0.000 0.721 114 K HN 0.418 nan 8.250 nan 0.000 0.447 115 D N 1.580 122.090 120.400 0.182 0.000 2.264 115 D HA -0.126 -6.475 4.640 -18.317 0.000 0.208 115 D C 1.583 178.131 176.300 0.413 0.000 0.966 115 D CA 1.302 55.523 54.000 0.369 0.000 0.864 115 D CB 0.109 41.179 40.800 0.450 0.000 0.933 115 D HN 0.718 nan 8.370 nan 0.000 0.499 116 E N -1.091 119.307 120.200 0.331 0.000 2.489 116 E HA 0.062 -6.578 4.350 -18.317 0.000 0.204 116 E C 0.196 177.070 176.600 0.456 0.000 1.006 116 E CA -0.027 56.650 56.400 0.461 0.000 0.936 116 E CB 0.003 29.922 29.700 0.366 0.000 1.002 116 E HN -0.018 nan 8.360 nan 0.000 0.488 117 c N 2.577 121.222 118.600 0.075 0.000 2.865 117 c HA 0.402 -6.018 4.570 -18.317 0.000 0.545 117 c C -0.348 173.519 174.090 -0.372 0.000 1.154 117 c CA -0.323 55.987 56.329 -0.031 0.000 1.375 117 c CB -2.385 40.071 42.510 -0.091 0.000 1.627 117 c HN 0.399 nan 8.230 nan 0.000 0.623 118 H N -0.631 118.438 119.070 -0.002 0.000 2.931 118 H HA 0.331 -6.104 4.556 -18.318 0.000 0.331 118 H C -0.232 174.812 175.328 -0.472 0.000 1.273 118 H CA -0.933 54.919 56.048 -0.328 0.000 1.171 118 H CB 0.659 30.078 29.762 -0.572 0.000 1.898 118 H HN 0.057 nan 8.280 nan 0.000 0.562 119 N N 1.104 119.561 118.700 -0.405 0.000 2.402 119 N HA 0.113 -6.137 4.740 -18.317 0.000 0.252 119 N C -1.689 173.461 175.510 -0.601 0.000 1.118 119 N CA -0.017 52.727 53.050 -0.509 0.000 0.945 119 N CB -0.190 37.918 38.487 -0.633 0.000 1.147 119 N HN 0.284 nan 8.380 nan 0.000 0.495 120 F N 4.122 123.956 119.950 -0.194 0.000 2.388 120 F HA 0.411 -6.043 4.527 -18.303 0.000 0.358 120 F C 0.500 176.195 175.800 -0.175 0.000 1.122 120 F CA -1.071 56.846 58.000 -0.137 0.000 1.056 120 F CB 0.865 39.815 39.000 -0.084 0.000 1.155 120 F HN 0.162 nan 8.300 nan 0.000 0.461 121 I N 4.745 125.324 120.570 0.016 0.000 2.517 121 I HA 0.076 -6.744 4.170 -18.317 0.000 0.285 121 I C 0.758 176.891 176.117 0.027 0.000 1.106 121 I CA 0.162 61.450 61.300 -0.019 0.000 1.402 121 I CB 0.683 38.685 38.000 0.003 0.000 1.399 121 I HN 0.667 nan 8.210 nan 0.000 0.535 122 K N 4.359 124.754 120.400 -0.008 0.000 2.481 122 K HA 0.286 -6.384 4.320 -18.317 0.000 0.210 122 K C -0.349 176.259 176.600 0.013 0.000 1.161 122 K CA 0.247 56.537 56.287 0.005 0.000 1.023 122 K CB 1.464 33.950 32.500 -0.022 0.000 0.971 122 K HN 0.359 nan 8.250 nan 0.000 0.577 123 V N 2.165 122.079 119.914 0.000 0.000 2.577 123 V HA 0.441 -6.429 4.120 -18.317 0.000 0.303 123 V C -1.296 174.815 176.094 0.028 0.000 1.042 123 V CA -1.001 61.317 62.300 0.030 0.000 0.872 123 V CB 2.158 33.999 31.823 0.031 0.000 0.998 123 V HN 0.029 nan 8.190 nan 0.000 0.423 124 L N 6.974 128.243 121.223 0.076 0.000 2.555 124 L HA 0.722 -5.928 4.340 -18.317 0.000 0.264 124 L C -1.469 175.468 176.870 0.111 0.000 0.972 124 L CA 0.227 55.104 54.840 0.062 0.000 0.876 124 L CB 1.250 43.312 42.059 0.004 0.000 1.216 124 L HN 0.591 nan 8.230 nan 0.000 0.415 125 L N 3.170 124.525 121.223 0.220 0.000 2.376 125 L HA 0.569 -6.081 4.340 -18.317 0.000 0.258 125 L C -0.334 176.691 176.870 0.259 0.000 1.013 125 L CA -0.978 54.031 54.840 0.282 0.000 0.822 125 L CB 2.419 44.755 42.059 0.462 0.000 1.388 125 L HN 0.383 nan 8.230 nan 0.000 0.413 126 K N 1.236 121.745 120.400 0.181 0.000 2.285 126 K HA 0.149 -6.521 4.320 -18.317 0.000 0.286 126 K C 0.513 177.152 176.600 0.064 0.000 1.072 126 K CA -0.160 56.189 56.287 0.103 0.000 0.913 126 K CB 1.336 33.867 32.500 0.050 0.000 1.067 126 K HN 0.443 nan 8.250 nan 0.000 0.479 127 K N 2.607 122.977 120.400 -0.049 0.000 2.155 127 K HA -0.127 -6.797 4.320 -18.317 0.000 0.203 127 K C 0.050 176.477 176.600 -0.288 0.000 1.052 127 K CA 1.487 57.514 56.287 -0.433 0.000 0.948 127 K CB 0.185 32.459 32.500 -0.377 0.000 0.728 127 K HN 0.766 nan 8.250 nan 0.000 0.448 128 N N -2.497 116.125 118.700 -0.130 0.000 3.395 128 N HA 0.006 -6.244 4.740 -18.317 0.000 0.293 128 N C -0.623 174.859 175.510 -0.046 0.000 1.489 128 N CA -0.521 52.476 53.050 -0.087 0.000 0.871 128 N CB -0.044 38.382 38.487 -0.101 0.000 1.649 128 N HN -0.318 nan 8.380 nan 0.000 0.501 129 D N -0.905 119.473 120.400 -0.037 0.000 2.263 129 D HA -0.059 -6.409 4.640 -18.317 0.000 0.208 129 D C -0.075 176.212 176.300 -0.022 0.000 0.971 129 D CA 1.229 55.218 54.000 -0.019 0.000 0.867 129 D CB -0.090 40.700 40.800 -0.017 0.000 0.929 129 D HN 0.444 nan 8.370 nan 0.000 0.492 130 D N -0.802 119.568 120.400 -0.049 0.000 2.423 130 D HA 0.042 -6.308 4.640 -18.317 0.000 0.208 130 D C -0.037 176.224 176.300 -0.066 0.000 1.068 130 D CA 0.487 54.445 54.000 -0.070 0.000 0.860 130 D CB 0.720 41.447 40.800 -0.122 0.000 0.992 130 D HN -0.016 nan 8.370 nan 0.000 0.504 131 T N 1.263 115.790 114.554 -0.044 0.000 2.791 131 T HA 0.462 -6.178 4.350 -18.317 0.000 0.288 131 T C 0.189 174.929 174.700 0.065 0.000 0.999 131 T CA -0.524 61.578 62.100 0.003 0.000 0.952 131 T CB 1.693 70.555 68.868 -0.011 0.000 0.938 131 T HN -0.126 nan 8.240 nan 0.000 0.444 132 L N 3.452 124.743 121.223 0.114 0.000 2.292 132 L HA 0.531 -6.119 4.340 -18.317 0.000 0.284 132 L C -0.462 176.586 176.870 0.297 0.000 1.065 132 L CA -0.854 54.069 54.840 0.140 0.000 0.806 132 L CB 0.693 42.777 42.059 0.041 0.000 1.175 132 L HN 0.585 nan 8.230 nan 0.000 0.431 133 F N 4.609 124.674 119.950 0.192 0.000 2.388 133 F HA 0.553 -5.912 4.527 -18.320 0.000 0.358 133 F C -0.651 175.295 175.800 0.243 0.000 1.122 133 F CA -0.582 57.590 58.000 0.287 0.000 1.056 133 F CB 1.120 40.410 39.000 0.483 0.000 1.155 133 F HN 0.012 nan 8.300 nan 0.000 0.461 134 V N 6.041 125.752 119.914 -0.339 0.000 2.443 134 V HA 0.360 -6.510 4.120 -18.317 0.000 0.293 134 V C -0.810 175.156 176.094 -0.214 0.000 1.021 134 V CA -0.727 61.488 62.300 -0.143 0.000 0.848 134 V CB 1.228 33.157 31.823 0.177 0.000 0.998 134 V HN 0.936 nan 8.190 nan 0.000 0.424 135 c N 3.557 122.030 118.600 -0.213 0.000 2.417 135 c HA 0.940 -5.480 4.570 -18.317 0.000 0.324 135 c C 0.808 174.819 174.090 -0.132 0.000 1.240 135 c CA -0.762 55.475 56.329 -0.153 0.000 1.632 135 c CB 0.990 43.367 42.510 -0.222 0.000 2.241 135 c HN 1.032 nan 8.230 nan 0.000 0.499 136 G N 0.756 109.391 108.800 -0.275 0.000 2.481 136 G HA2 0.523 -6.506 3.960 -18.317 0.000 0.315 136 G HA3 0.523 -6.506 3.960 -18.317 0.000 0.315 136 G C 0.732 175.429 174.900 -0.338 0.000 1.231 136 G CA 0.217 45.078 45.100 -0.398 0.000 0.968 136 G HN 0.831 nan 8.290 nan 0.000 0.482 137 T N -0.623 113.789 114.554 -0.236 0.000 2.803 137 T HA -0.194 -6.834 4.350 -18.317 0.000 0.269 137 T C 1.336 175.893 174.700 -0.238 0.000 1.052 137 T CA 1.104 63.066 62.100 -0.229 0.000 1.136 137 T CB -0.352 68.439 68.868 -0.130 0.000 0.864 137 T HN 1.104 nan 8.240 nan 0.000 0.467 138 N N 1.669 120.197 118.700 -0.287 0.000 2.667 138 N HA -0.223 -6.473 4.740 -18.317 0.000 0.263 138 N C 0.244 175.699 175.510 -0.092 0.000 1.038 138 N CA 1.036 53.918 53.050 -0.281 0.000 0.749 138 N CB -1.768 36.528 38.487 -0.317 0.000 0.892 138 N HN 1.290 nan 8.380 nan 0.000 0.546 139 A N 1.466 124.284 122.820 -0.003 0.000 2.203 139 A HA -0.156 -6.826 4.320 -18.317 0.000 0.279 139 A C 0.993 178.789 177.584 0.354 0.000 1.396 139 A CA 1.063 53.208 52.037 0.180 0.000 0.747 139 A CB -2.398 16.652 19.000 0.084 0.000 1.151 139 A HN 1.397 nan 8.150 nan 0.000 0.345 140 F N -2.245 117.780 119.950 0.124 0.000 3.079 140 F HA -0.231 -6.693 4.527 -18.314 0.000 0.274 140 F C 0.734 176.684 175.800 0.249 0.000 0.940 140 F CA 1.500 59.674 58.000 0.290 0.000 0.932 140 F CB -1.200 38.073 39.000 0.455 0.000 0.891 140 F HN 0.821 nan 8.300 nan 0.000 0.722 141 N N 0.132 118.869 118.700 0.061 0.000 2.726 141 N HA 0.329 -5.921 4.740 -18.317 0.000 0.253 141 N C -2.937 172.447 175.510 -0.210 0.000 1.530 141 N CA -1.974 51.049 53.050 -0.046 0.000 0.772 141 N CB 0.968 39.476 38.487 0.036 0.000 1.220 141 N HN -0.250 nan 8.380 nan 0.000 0.508 142 P HA 0.051 nan 4.420 nan 0.000 0.262 142 P C -0.735 176.426 177.300 -0.232 0.000 1.182 142 P CA 0.435 63.309 63.100 -0.375 0.000 0.761 142 P CB 0.585 31.973 31.700 -0.521 0.000 0.795 143 S N 2.018 117.609 115.700 -0.183 0.000 2.579 143 S HA 0.666 -5.854 4.470 -18.317 0.000 0.272 143 S C -1.161 173.371 174.600 -0.113 0.000 1.141 143 S CA -0.679 57.448 58.200 -0.121 0.000 0.843 143 S CB 0.708 63.924 63.200 0.027 0.000 1.122 143 S HN 0.416 nan 8.310 nan 0.000 0.468 144 c N 1.141 119.496 118.600 -0.408 0.000 2.561 144 c HA 0.885 -5.535 4.570 -18.317 0.000 0.319 144 c C 0.097 173.825 174.090 -0.603 0.000 1.198 144 c CA -0.632 55.342 56.329 -0.592 0.000 1.665 144 c CB 1.398 43.400 42.510 -0.847 0.000 2.258 144 c HN 1.000 nan 8.230 nan 0.000 0.493 145 R N 1.469 121.763 120.500 -0.343 0.000 2.740 145 R HA 0.423 -6.227 4.340 -18.317 0.000 0.273 145 R C -1.330 174.953 176.300 -0.028 0.000 0.998 145 R CA -0.699 55.273 56.100 -0.213 0.000 0.900 145 R CB 1.386 31.312 30.300 -0.623 0.000 1.223 145 R HN 0.654 nan 8.270 nan 0.000 0.466 146 N N 1.248 119.983 118.700 0.057 0.000 2.479 146 N HA 0.298 -5.952 4.740 -18.317 0.000 0.285 146 N C -1.173 174.285 175.510 -0.087 0.000 1.075 146 N CA 0.128 53.278 53.050 0.167 0.000 0.967 146 N CB 1.083 39.759 38.487 0.315 0.000 1.137 146 N HN 0.352 nan 8.380 nan 0.000 0.472 147 Y N 0.188 120.554 120.300 0.109 0.000 2.630 147 Y HA 0.438 -6.002 4.550 -18.317 0.000 0.337 147 Y C 0.525 176.454 175.900 0.049 0.000 1.051 147 Y CA -0.911 57.229 58.100 0.067 0.000 1.121 147 Y CB 1.608 40.079 38.460 0.018 0.000 1.299 147 Y HN 0.122 nan 8.280 nan 0.000 0.498 148 R N 0.536 121.162 120.500 0.209 0.000 2.294 148 R HA 0.328 -6.322 4.340 -18.317 0.000 0.319 148 R C 0.520 176.873 176.300 0.088 0.000 0.984 148 R CA -0.325 55.817 56.100 0.070 0.000 0.861 148 R CB 1.389 31.698 30.300 0.015 0.000 1.104 148 R HN 0.579 nan 8.270 nan 0.000 0.451 149 V N 2.964 122.911 119.914 0.054 0.000 2.278 149 V HA -0.358 -7.228 4.120 -18.317 0.000 0.251 149 V C 1.896 178.043 176.094 0.088 0.000 1.062 149 V CA 2.396 64.743 62.300 0.077 0.000 1.038 149 V CB -0.418 31.439 31.823 0.056 0.000 0.646 149 V HN 0.865 nan 8.190 nan 0.000 0.447 150 D N 0.335 120.766 120.400 0.051 0.000 2.097 150 D HA -0.160 -6.510 4.640 -18.317 0.000 0.197 150 D C 1.968 178.297 176.300 0.048 0.000 0.984 150 D CA 2.157 56.182 54.000 0.042 0.000 0.826 150 D CB -0.559 40.252 40.800 0.018 0.000 0.973 150 D HN 0.630 nan 8.370 nan 0.000 0.460 151 T N -2.445 112.142 114.554 0.055 0.000 2.990 151 T HA 0.279 -6.361 4.350 -18.317 0.000 0.250 151 T C 1.539 176.287 174.700 0.079 0.000 1.041 151 T CA 0.031 62.166 62.100 0.058 0.000 1.010 151 T CB 0.042 68.942 68.868 0.053 0.000 1.003 151 T HN 0.219 nan 8.240 nan 0.000 0.499 152 L N -0.053 121.233 121.223 0.106 0.000 4.759 152 L HA -0.162 -6.811 4.340 -18.317 0.000 0.419 152 L C -0.012 176.993 176.870 0.225 0.000 1.093 152 L CA 0.340 55.253 54.840 0.121 0.000 1.037 152 L CB -2.166 39.921 42.059 0.046 0.000 2.095 152 L HN 0.436 nan 8.230 nan 0.000 0.739 153 E N 0.142 120.465 120.200 0.206 0.000 2.373 153 E HA 0.246 -6.394 4.350 -18.317 0.000 0.263 153 E C 0.631 177.365 176.600 0.223 0.000 1.073 153 E CA -0.064 56.453 56.400 0.196 0.000 0.894 153 E CB 0.854 30.622 29.700 0.114 0.000 1.008 153 E HN 0.017 nan 8.360 nan 0.000 0.420 154 T N 1.574 116.161 114.554 0.056 0.000 2.919 154 T HA 0.223 -6.417 4.350 -18.317 0.000 0.302 154 T C -1.218 173.439 174.700 -0.070 0.000 1.031 154 T CA 0.073 62.013 62.100 -0.266 0.000 1.127 154 T CB 0.029 68.709 68.868 -0.313 0.000 0.952 154 T HN 0.318 nan 8.240 nan 0.000 0.540 155 F N 3.551 123.315 119.950 -0.309 0.000 2.557 155 F HA 0.546 -5.918 4.527 -18.318 0.000 0.316 155 F C 0.403 176.111 175.800 -0.153 0.000 1.141 155 F CA 0.606 58.507 58.000 -0.164 0.000 0.922 155 F CB 1.018 39.963 39.000 -0.092 0.000 1.194 155 F HN 1.005 nan 8.300 nan 0.000 0.443 156 G N 4.258 112.571 108.800 -0.812 0.000 2.804 156 G HA2 -0.176 -7.206 3.960 -18.317 0.000 0.230 156 G HA3 -0.176 -7.206 3.960 -18.317 0.000 0.230 156 G C -1.448 173.274 174.900 -0.296 0.000 1.386 156 G CA -0.380 44.388 45.100 -0.553 0.000 0.875 156 G HN 0.750 nan 8.290 nan 0.000 0.557 157 D N 0.756 121.045 120.400 -0.186 0.000 2.326 157 D HA 0.515 -5.834 4.640 -18.317 0.000 0.248 157 D C 0.815 177.127 176.300 0.021 0.000 1.001 157 D CA 0.035 53.970 54.000 -0.108 0.000 0.961 157 D CB 0.964 41.716 40.800 -0.081 0.000 1.183 157 D HN 0.814 nan 8.370 nan 0.000 0.502 158 E N 0.184 120.383 120.200 -0.001 0.000 2.392 158 E HA 0.443 -6.197 4.350 -18.317 0.000 0.259 158 E C -0.703 176.052 176.600 0.258 0.000 1.108 158 E CA -0.478 55.963 56.400 0.068 0.000 0.916 158 E CB 0.566 30.242 29.700 -0.040 0.000 0.989 158 E HN 0.411 nan 8.360 nan 0.000 0.432 159 F N -1.520 118.450 119.950 0.033 0.000 2.685 159 F HA 0.455 -6.007 4.527 -18.315 0.000 0.315 159 F C -0.304 175.538 175.800 0.071 0.000 1.126 159 F CA -1.585 56.445 58.000 0.050 0.000 0.950 159 F CB 1.261 40.295 39.000 0.057 0.000 1.360 159 F HN 0.420 nan 8.300 nan 0.000 0.469 160 S N 0.041 115.834 115.700 0.156 0.000 2.563 160 S HA 0.330 -6.190 4.470 -18.317 0.000 0.294 160 S C 0.920 175.491 174.600 -0.048 0.000 1.279 160 S CA 0.387 58.611 58.200 0.040 0.000 1.069 160 S CB 0.211 63.465 63.200 0.091 0.000 0.828 160 S HN 1.131 nan 8.310 nan 0.000 0.497 161 G N 4.523 113.247 108.800 -0.128 0.000 3.233 161 G HA2 0.139 -6.891 3.960 -18.317 0.000 0.234 161 G HA3 0.139 -6.891 3.960 -18.317 0.000 0.234 161 G C 0.403 175.219 174.900 -0.138 0.000 1.137 161 G CA -0.468 44.542 45.100 -0.149 0.000 0.763 161 G HN 0.722 nan 8.290 nan 0.000 0.549 162 M N 1.416 120.944 119.600 -0.120 0.000 2.327 162 M HA 0.302 -6.208 4.480 -18.317 0.000 0.353 162 M C 1.296 177.473 176.300 -0.205 0.000 1.539 162 M CA 1.059 56.280 55.300 -0.131 0.000 1.039 162 M CB 0.256 32.823 32.600 -0.055 0.000 1.967 162 M HN 0.525 nan 8.290 nan 0.000 0.459 163 A N 4.154 126.829 122.820 -0.241 0.000 3.383 163 A HA -0.257 -6.927 4.320 -18.317 0.000 0.264 163 A C 1.180 178.609 177.584 -0.259 0.000 1.154 163 A CA 1.838 53.613 52.037 -0.437 0.000 1.179 163 A CB -1.402 16.882 19.000 -1.194 0.000 1.133 163 A HN 0.955 nan 8.150 nan 0.000 0.933 164 R N -2.171 118.270 120.500 -0.099 0.000 2.279 164 R HA 0.402 -6.248 4.340 -18.317 0.000 0.195 164 R C 0.436 176.739 176.300 0.006 0.000 0.905 164 R CA 0.917 57.037 56.100 0.034 0.000 1.044 164 R CB 0.927 31.312 30.300 0.141 0.000 1.056 164 R HN 0.840 nan 8.270 nan 0.000 0.535 165 C N 1.626 120.888 119.300 -0.063 0.000 2.891 165 C HA 0.493 -6.037 4.460 -18.317 0.000 0.342 165 C C -2.647 172.272 174.990 -0.118 0.000 1.126 165 C CA -2.307 56.660 59.018 -0.085 0.000 1.322 165 C CB 2.009 29.672 27.740 -0.128 0.000 1.763 165 C HN 0.114 nan 8.230 nan 0.000 0.491 166 P HA 0.186 nan 4.420 nan 0.000 0.272 166 P C -0.373 176.817 177.300 -0.184 0.000 1.230 166 P CA 0.229 63.306 63.100 -0.038 0.000 0.788 166 P CB 0.606 32.301 31.700 -0.008 0.000 0.949 167 Y N -1.029 119.080 120.300 -0.319 0.000 2.420 167 Y HA 0.033 -6.411 4.550 -18.323 0.000 0.292 167 Y C 1.291 176.481 175.900 -1.185 0.000 1.119 167 Y CA 1.099 58.861 58.100 -0.563 0.000 1.229 167 Y CB 0.042 38.277 38.460 -0.375 0.000 1.026 167 Y HN 0.266 nan 8.280 nan 0.000 0.554 168 D N -0.482 119.431 120.400 -0.812 0.000 2.381 168 D HA 0.375 -5.975 4.640 -18.317 0.000 0.235 168 D C 0.814 176.778 176.300 -0.559 0.000 1.068 168 D CA 0.009 53.449 54.000 -0.934 0.000 0.832 168 D CB 1.807 41.927 40.800 -1.133 0.000 1.101 168 D HN 0.112 nan 8.370 nan 0.000 0.515 169 A N 4.505 127.029 122.820 -0.493 0.000 2.024 169 A HA -0.173 -6.843 4.320 -18.317 0.000 0.220 169 A C 1.790 179.213 177.584 -0.269 0.000 1.164 169 A CA 1.251 53.023 52.037 -0.441 0.000 0.643 169 A CB -0.213 18.198 19.000 -0.981 0.000 0.806 169 A HN 0.617 nan 8.150 nan 0.000 0.451 170 K N -0.553 119.717 120.400 -0.216 0.000 2.439 170 K HA -0.023 -6.692 4.320 -18.317 0.000 0.197 170 K C -0.082 176.618 176.600 0.167 0.000 1.041 170 K CA 0.271 56.547 56.287 -0.019 0.000 0.970 170 K CB -0.129 32.392 32.500 0.035 0.000 0.773 170 K HN 0.727 nan 8.250 nan 0.000 0.479 171 H N -0.447 118.585 119.070 -0.063 0.000 2.511 171 H HA 0.322 -6.106 4.556 -18.307 0.000 0.346 171 H C -0.322 174.969 175.328 -0.062 0.000 1.128 171 H CA -1.052 54.972 56.048 -0.041 0.000 1.342 171 H CB 1.307 31.042 29.762 -0.044 0.000 1.470 171 H HN 0.070 nan 8.280 nan 0.000 0.546 172 A N 3.423 126.209 122.820 -0.057 0.000 2.328 172 A HA 0.186 -6.484 4.320 -18.317 0.000 0.284 172 A C -0.027 177.536 177.584 -0.035 0.000 1.160 172 A CA -0.736 51.196 52.037 -0.175 0.000 0.818 172 A CB 0.094 18.666 19.000 -0.713 0.000 1.087 172 A HN 0.863 nan 8.150 nan 0.000 0.504 173 N N 1.551 120.273 118.700 0.037 0.000 2.321 173 N HA 0.610 -5.640 4.740 -18.317 0.000 0.290 173 N C -1.516 174.047 175.510 0.088 0.000 1.212 173 N CA -0.568 52.536 53.050 0.090 0.000 0.767 173 N CB 1.548 40.072 38.487 0.062 0.000 1.494 173 N HN 0.413 nan 8.380 nan 0.000 0.479 174 I N 0.144 120.752 120.570 0.063 0.000 2.509 174 I HA 0.656 -6.164 4.170 -18.317 0.000 0.293 174 I C -0.578 175.592 176.117 0.088 0.000 1.020 174 I CA -0.799 60.559 61.300 0.095 0.000 1.088 174 I CB 1.891 39.984 38.000 0.155 0.000 1.267 174 I HN 0.823 nan 8.210 nan 0.000 0.430 175 A N 6.625 129.501 122.820 0.094 0.000 2.459 175 A HA 0.871 -5.799 4.320 -18.317 0.000 0.296 175 A C -1.751 175.860 177.584 0.045 0.000 1.039 175 A CA -0.409 51.674 52.037 0.076 0.000 0.698 175 A CB 1.784 20.831 19.000 0.078 0.000 1.261 175 A HN 0.617 nan 8.150 nan 0.000 0.405 176 L N 1.660 122.885 121.223 0.003 0.000 2.565 176 L HA 0.766 -5.884 4.340 -18.317 0.000 0.261 176 L C -1.962 174.890 176.870 -0.030 0.000 0.932 176 L CA -0.234 54.609 54.840 0.006 0.000 0.878 176 L CB 1.215 43.299 42.059 0.041 0.000 1.333 176 L HN 0.598 nan 8.230 nan 0.000 0.409 177 F N 3.953 123.983 119.950 0.133 0.000 2.396 177 F HA 0.747 -5.712 4.527 -18.311 0.000 0.343 177 F C 0.727 176.609 175.800 0.137 0.000 1.104 177 F CA 0.365 58.436 58.000 0.119 0.000 1.161 177 F CB 1.735 40.757 39.000 0.036 0.000 1.146 177 F HN 0.700 nan 8.300 nan 0.000 0.522 178 A N 2.454 125.523 122.820 0.416 0.000 2.437 178 A HA 0.487 -6.183 4.320 -18.317 0.000 0.293 178 A C -0.781 176.956 177.584 0.255 0.000 1.038 178 A CA -0.886 51.310 52.037 0.264 0.000 0.708 178 A CB 0.689 19.774 19.000 0.143 0.000 1.251 178 A HN 0.811 nan 8.150 nan 0.000 0.409 179 D N 1.775 122.263 120.400 0.146 0.000 2.751 179 D HA -0.225 -6.575 4.640 -18.317 0.000 0.233 179 D C 1.256 177.607 176.300 0.085 0.000 1.149 179 D CA 2.824 56.880 54.000 0.094 0.000 0.682 179 D CB -1.370 39.481 40.800 0.084 0.000 1.068 179 D HN 2.149 nan 8.370 nan 0.000 0.429 180 G N -0.774 108.079 108.800 0.087 0.000 2.284 180 G HA2 -0.395 -7.425 3.960 -18.317 0.000 0.261 180 G HA3 -0.395 -7.425 3.960 -18.317 0.000 0.261 180 G C 0.325 175.333 174.900 0.180 0.000 0.997 180 G CA 0.783 45.902 45.100 0.031 0.000 0.621 180 G HN 0.525 nan 8.290 nan 0.000 0.534 181 K N 0.313 120.834 120.400 0.202 0.000 2.298 181 K HA 0.535 -6.135 4.320 -18.317 0.000 0.280 181 K C -0.273 176.404 176.600 0.130 0.000 1.032 181 K CA -0.628 55.717 56.287 0.098 0.000 0.958 181 K CB 1.940 34.427 32.500 -0.021 0.000 0.978 181 K HN 0.209 nan 8.250 nan 0.000 0.472 182 L N 3.892 125.065 121.223 -0.085 0.000 2.264 182 L HA 0.256 -6.394 4.340 -18.317 0.000 0.289 182 L C -1.390 175.332 176.870 -0.247 0.000 1.044 182 L CA -0.211 54.455 54.840 -0.289 0.000 0.807 182 L CB 0.136 41.936 42.059 -0.432 0.000 1.192 182 L HN 0.393 nan 8.230 nan 0.000 0.425 183 Y N 3.680 123.973 120.300 -0.013 0.000 2.328 183 Y HA 0.624 -5.818 4.550 -18.320 0.000 0.337 183 Y C 0.448 176.444 175.900 0.161 0.000 1.008 183 Y CA -0.207 58.003 58.100 0.183 0.000 1.129 183 Y CB 1.705 40.300 38.460 0.225 0.000 1.185 183 Y HN 0.705 nan 8.280 nan 0.000 0.476 184 S N 1.609 117.503 115.700 0.322 0.000 2.569 184 S HA 0.963 -5.557 4.470 -18.317 0.000 0.280 184 S C -1.161 173.461 174.600 0.037 0.000 1.111 184 S CA -0.938 57.370 58.200 0.182 0.000 0.887 184 S CB 2.086 65.364 63.200 0.130 0.000 1.095 184 S HN 0.864 nan 8.310 nan 0.000 0.476 185 A N 0.941 123.661 122.820 -0.168 0.000 2.408 185 A HA 0.923 -5.746 4.320 -18.317 0.000 0.295 185 A C -0.189 177.103 177.584 -0.486 0.000 1.040 185 A CA -0.257 51.367 52.037 -0.688 0.000 0.707 185 A CB 1.426 19.559 19.000 -1.445 0.000 1.235 185 A HN 1.471 nan 8.150 nan 0.000 0.418 186 T N -0.001 114.425 114.554 -0.214 0.000 2.686 186 T HA 0.523 -6.117 4.350 -18.317 0.000 0.289 186 T C -1.389 173.436 174.700 0.208 0.000 1.783 186 T CA 0.484 62.673 62.100 0.148 0.000 0.966 186 T CB 0.267 69.172 68.868 0.061 0.000 2.034 186 T HN 1.932 nan 8.240 nan 0.000 0.436 187 V N 1.076 121.096 119.914 0.176 0.000 2.769 187 V HA 0.742 -6.128 4.120 -18.317 0.000 0.312 187 V C 1.546 177.720 176.094 0.133 0.000 1.058 187 V CA 0.351 62.737 62.300 0.144 0.000 0.952 187 V CB 0.936 32.844 31.823 0.141 0.000 1.019 187 V HN 1.162 nan 8.190 nan 0.000 0.445 188 T N -1.280 113.321 114.554 0.077 0.000 3.043 188 T HA 0.040 -6.600 4.350 -18.317 0.000 0.263 188 T C 0.396 175.249 174.700 0.255 0.000 1.094 188 T CA 0.877 63.027 62.100 0.084 0.000 1.127 188 T CB -0.422 68.436 68.868 -0.017 0.000 0.905 188 T HN 0.968 nan 8.240 nan 0.000 0.490 189 D N -0.322 120.142 120.400 0.106 0.000 2.433 189 D HA 0.205 -6.145 4.640 -18.317 0.000 0.236 189 D C 0.540 176.478 176.300 -0.602 0.000 1.026 189 D CA -1.343 52.606 54.000 -0.084 0.000 0.884 189 D CB 1.128 41.927 40.800 -0.001 0.000 1.384 189 D HN 0.029 nan 8.370 nan 0.000 0.477 190 F N 0.761 120.189 119.950 -0.871 0.000 2.202 190 F HA -0.078 -6.535 4.527 -18.307 0.000 0.301 190 F C 1.390 177.001 175.800 -0.314 0.000 1.082 190 F CA 1.321 58.828 58.000 -0.821 0.000 1.313 190 F CB 0.023 38.829 39.000 -0.323 0.000 1.024 190 F HN 0.292 nan 8.300 nan 0.000 0.495 191 L N 0.516 121.658 121.223 -0.135 0.000 2.591 191 L HA 0.268 -6.382 4.340 -18.317 0.000 0.228 191 L C 1.445 178.259 176.870 -0.094 0.000 1.133 191 L CA 0.365 55.141 54.840 -0.106 0.000 0.880 191 L CB -0.967 41.113 42.059 0.035 0.000 1.033 191 L HN 0.241 nan 8.230 nan 0.000 0.450 192 A N 0.258 123.016 122.820 -0.104 0.000 2.791 192 A HA -0.208 -6.878 4.320 -18.317 0.000 0.292 192 A C 1.108 178.694 177.584 0.003 0.000 1.487 192 A CA 0.876 52.910 52.037 -0.005 0.000 0.760 192 A CB -1.802 17.267 19.000 0.114 0.000 1.031 192 A HN 0.343 nan 8.150 nan 0.000 0.503 193 I N -0.729 119.851 120.570 0.017 0.000 3.708 193 I HA 0.097 -6.723 4.170 -18.317 0.000 0.302 193 I C 0.868 177.049 176.117 0.106 0.000 1.255 193 I CA 1.033 62.357 61.300 0.040 0.000 1.362 193 I CB -0.179 37.839 38.000 0.030 0.000 1.100 193 I HN 0.485 nan 8.210 nan 0.000 0.434 194 D N 2.545 123.008 120.400 0.105 0.000 2.557 194 D HA 0.375 -5.975 4.640 -18.317 0.000 0.236 194 D C 0.139 176.477 176.300 0.064 0.000 1.154 194 D CA -0.159 53.899 54.000 0.097 0.000 0.985 194 D CB 0.471 41.303 40.800 0.053 0.000 1.010 194 D HN 0.119 nan 8.370 nan 0.000 0.516 195 A N 2.256 125.124 122.820 0.080 0.000 2.450 195 A HA 0.481 -6.189 4.320 -18.317 0.000 0.255 195 A C -0.237 177.421 177.584 0.123 0.000 1.096 195 A CA -0.337 51.778 52.037 0.131 0.000 0.778 195 A CB 0.839 19.893 19.000 0.089 0.000 1.031 195 A HN 0.382 nan 8.150 nan 0.000 0.494 196 V N 4.283 124.271 119.914 0.123 0.000 2.789 196 V HA 0.541 -6.329 4.120 -18.317 0.000 0.311 196 V C -0.706 175.302 176.094 -0.144 0.000 1.073 196 V CA -0.650 61.652 62.300 0.003 0.000 0.921 196 V CB 1.908 33.708 31.823 -0.040 0.000 1.009 196 V HN 0.761 nan 8.190 nan 0.000 0.426 197 I N 6.112 126.589 120.570 -0.155 0.000 2.362 197 I HA 0.459 -6.361 4.170 -18.317 0.000 0.289 197 I C -1.276 174.980 176.117 0.230 0.000 0.994 197 I CA -0.459 60.675 61.300 -0.277 0.000 1.158 197 I CB 1.380 38.968 38.000 -0.687 0.000 1.315 197 I HN 0.648 nan 8.210 nan 0.000 0.451 198 Y N 6.484 126.844 120.300 0.099 0.000 2.524 198 Y HA 0.597 -5.844 4.550 -18.317 0.000 0.347 198 Y C -0.800 175.206 175.900 0.177 0.000 1.005 198 Y CA -0.923 57.248 58.100 0.118 0.000 1.025 198 Y CB 1.929 40.382 38.460 -0.013 0.000 1.275 198 Y HN 0.454 nan 8.280 nan 0.000 0.460 199 R N 3.463 123.739 120.500 -0.374 0.000 2.561 199 R HA 0.706 -5.944 4.340 -18.317 0.000 0.297 199 R C -1.588 174.300 176.300 -0.687 0.000 0.969 199 R CA -0.352 55.461 56.100 -0.480 0.000 0.879 199 R CB 1.583 31.572 30.300 -0.518 0.000 1.178 199 R HN 0.842 nan 8.270 nan 0.000 0.445 200 S N 3.287 118.734 115.700 -0.422 0.000 2.671 200 S HA 0.639 -5.881 4.470 -18.317 0.000 0.277 200 S C -0.469 174.044 174.600 -0.145 0.000 1.165 200 S CA -0.787 57.241 58.200 -0.287 0.000 0.822 200 S CB 1.014 64.148 63.200 -0.110 0.000 1.150 200 S HN 0.671 nan 8.310 nan 0.000 0.479 201 L N -0.602 120.573 121.223 -0.080 0.000 1.535 201 L HA -0.030 -6.680 4.340 -18.317 0.000 0.352 201 L C 1.102 177.940 176.870 -0.053 0.000 1.047 201 L CA 0.574 55.391 54.840 -0.039 0.000 1.223 201 L CB -1.519 40.560 42.059 0.034 0.000 0.517 201 L HN 2.132 nan 8.230 nan 0.000 0.233 202 G N -0.235 108.548 108.800 -0.028 0.000 2.249 202 G HA2 -0.215 -7.245 3.960 -18.317 0.000 0.273 202 G HA3 -0.215 -7.245 3.960 -18.317 0.000 0.273 202 G C 0.283 175.155 174.900 -0.047 0.000 1.036 202 G CA 0.829 45.912 45.100 -0.029 0.000 0.824 202 G HN 1.020 nan 8.290 nan 0.000 0.504 203 D N -1.538 118.826 120.400 -0.060 0.000 2.911 203 D HA -0.173 -6.523 4.640 -18.317 0.000 0.227 203 D C 0.717 176.976 176.300 -0.068 0.000 1.164 203 D CA 1.809 55.772 54.000 -0.062 0.000 0.782 203 D CB -1.423 39.346 40.800 -0.050 0.000 1.094 203 D HN 0.822 nan 8.370 nan 0.000 0.425 204 S N -0.516 115.133 115.700 -0.086 0.000 2.638 204 S HA 0.696 -5.824 4.470 -18.317 0.000 0.302 204 S C -2.313 172.201 174.600 -0.143 0.000 1.096 204 S CA -1.260 56.879 58.200 -0.102 0.000 0.953 204 S CB 2.371 65.515 63.200 -0.094 0.000 1.107 204 S HN -0.138 nan 8.310 nan 0.000 0.503 205 P HA 0.115 nan 4.420 nan 0.000 0.268 205 P C -0.274 176.856 177.300 -0.284 0.000 1.208 205 P CA -0.155 62.830 63.100 -0.193 0.000 0.777 205 P CB -0.006 31.581 31.700 -0.189 0.000 0.875 206 T N 0.538 114.908 114.554 -0.306 0.000 2.832 206 T HA 0.550 -6.090 4.350 -18.317 0.000 0.296 206 T C -0.213 174.148 174.700 -0.565 0.000 0.968 206 T CA -0.597 61.220 62.100 -0.471 0.000 1.107 206 T CB -0.121 68.493 68.868 -0.424 0.000 0.916 206 T HN 0.144 nan 8.240 nan 0.000 0.517 207 L N 3.460 124.190 121.223 -0.822 0.000 2.354 207 L HA 0.783 -5.867 4.340 -18.317 0.000 0.269 207 L C 0.234 176.535 176.870 -0.948 0.000 1.005 207 L CA -1.311 52.946 54.840 -0.972 0.000 0.819 207 L CB 2.132 43.328 42.059 -1.439 0.000 1.311 207 L HN 0.869 nan 8.230 nan 0.000 0.423 208 R N -0.731 119.378 120.500 -0.651 0.000 2.774 208 R HA 0.671 -5.979 4.340 -18.317 0.000 0.272 208 R C -0.898 175.370 176.300 -0.052 0.000 1.000 208 R CA -0.834 55.150 56.100 -0.193 0.000 0.906 208 R CB 1.278 31.609 30.300 0.051 0.000 1.227 208 R HN 0.554 nan 8.270 nan 0.000 0.468 209 T N -0.632 114.019 114.554 0.162 0.000 2.900 209 T HA 0.194 -6.446 4.350 -18.317 0.000 0.307 209 T C 0.626 175.109 174.700 -0.361 0.000 1.065 209 T CA -0.809 61.315 62.100 0.041 0.000 1.105 209 T CB 0.890 69.758 68.868 -0.001 0.000 0.979 209 T HN 0.324 nan 8.240 nan 0.000 0.544 210 V N 2.972 122.310 119.914 -0.960 0.000 2.458 210 V HA 0.070 -6.800 4.120 -18.317 0.000 0.287 210 V C 1.124 176.935 176.094 -0.472 0.000 1.009 210 V CA -0.245 61.559 62.300 -0.827 0.000 1.091 210 V CB -0.183 30.928 31.823 -1.186 0.000 0.960 210 V HN 0.862 nan 8.190 nan 0.000 0.476 211 K N 5.044 125.224 120.400 -0.367 0.000 2.491 211 K HA -0.069 -6.739 4.320 -18.317 0.000 0.279 211 K C 0.666 177.065 176.600 -0.335 0.000 1.026 211 K CA 0.128 56.169 56.287 -0.410 0.000 1.070 211 K CB -0.082 32.129 32.500 -0.482 0.000 0.887 211 K HN 0.904 nan 8.250 nan 0.000 0.481 212 H N 0.441 119.470 119.070 -0.069 0.000 2.958 212 H HA -0.215 -6.650 4.556 -18.319 0.000 0.274 212 H C -0.660 174.653 175.328 -0.024 0.000 1.184 212 H CA 1.089 57.116 56.048 -0.035 0.000 1.143 212 H CB -1.435 28.309 29.762 -0.029 0.000 1.297 212 H HN 0.639 nan 8.280 nan 0.000 0.356 213 D N 0.908 121.329 120.400 0.034 0.000 2.456 213 D HA 0.208 -6.142 4.640 -18.317 0.000 0.219 213 D C 1.151 177.565 176.300 0.190 0.000 1.126 213 D CA 0.499 54.535 54.000 0.060 0.000 0.890 213 D CB 0.522 41.256 40.800 -0.109 0.000 1.025 213 D HN 0.294 nan 8.370 nan 0.000 0.511 214 S N 3.111 118.919 115.700 0.180 0.000 2.507 214 S HA -0.123 -6.643 4.470 -18.317 0.000 0.235 214 S C 1.543 176.291 174.600 0.246 0.000 0.988 214 S CA 0.522 58.835 58.200 0.189 0.000 0.944 214 S CB 0.043 63.323 63.200 0.135 0.000 0.762 214 S HN 0.405 nan 8.310 nan 0.000 0.526 215 K N 0.012 120.600 120.400 0.313 0.000 2.097 215 K HA -0.056 -6.726 4.320 -18.317 0.000 0.205 215 K C 1.641 178.482 176.600 0.403 0.000 1.050 215 K CA 1.505 58.002 56.287 0.349 0.000 0.938 215 K CB -0.201 32.517 32.500 0.364 0.000 0.718 215 K HN 0.492 nan 8.250 nan 0.000 0.442 216 W N 0.798 122.217 121.300 0.197 0.000 2.408 216 W HA 0.116 -6.217 4.660 -18.322 0.000 0.311 216 W C 0.584 177.255 176.519 0.253 0.000 1.190 216 W CA 0.440 57.943 57.345 0.263 0.000 1.321 216 W CB 0.009 29.524 29.460 0.092 0.000 1.143 216 W HN -0.129 nan 8.180 nan 0.000 0.501 217 L N 0.323 121.776 121.223 0.384 0.000 2.505 217 L HA 0.347 -6.303 4.340 -18.317 0.000 0.266 217 L C -0.488 176.487 176.870 0.175 0.000 0.954 217 L CA -0.770 54.211 54.840 0.235 0.000 0.852 217 L CB 2.272 44.407 42.059 0.127 0.000 1.282 217 L HN -0.365 nan 8.230 nan 0.000 0.403 218 K N 3.851 124.344 120.400 0.155 0.000 2.575 218 K HA 0.297 -6.373 4.320 -18.317 0.000 0.236 218 K C -0.599 176.034 176.600 0.056 0.000 0.976 218 K CA -0.344 56.002 56.287 0.098 0.000 0.985 218 K CB 0.675 33.228 32.500 0.089 0.000 1.198 218 K HN 0.583 nan 8.250 nan 0.000 0.464 219 E N 1.859 122.070 120.200 0.017 0.000 2.230 219 E HA -0.172 -6.811 4.350 -18.317 0.000 0.206 219 E C -2.292 174.274 176.600 -0.057 0.000 1.309 219 E CA -0.027 56.355 56.400 -0.030 0.000 0.697 219 E CB -1.073 28.612 29.700 -0.025 0.000 1.146 219 E HN 0.510 nan 8.360 nan 0.000 0.363 220 P HA 0.021 nan 4.420 nan 0.000 0.272 220 P C -0.846 176.228 177.300 -0.378 0.000 1.240 220 P CA 0.218 63.172 63.100 -0.244 0.000 0.791 220 P CB 0.451 31.763 31.700 -0.647 0.000 0.978 221 Y N 0.878 120.956 120.300 -0.370 0.000 2.329 221 Y HA 0.460 5.019 4.550 0.017 0.000 0.328 221 Y C -1.190 174.623 175.900 -0.144 0.000 0.992 221 Y CA -1.070 56.838 58.100 -0.321 0.000 1.151 221 Y CB 0.812 39.200 38.460 -0.119 0.000 1.150 221 Y HN 0.062 nan 8.280 nan 0.000 0.450 222 F N 5.842 125.674 119.950 -0.196 0.000 2.411 222 F HA 0.368 -6.089 4.527 -18.307 0.000 0.350 222 F C 0.488 176.286 175.800 -0.003 0.000 1.114 222 F CA -0.438 57.569 58.000 0.011 0.000 1.135 222 F CB 1.079 40.066 39.000 -0.023 0.000 1.120 222 F HN 0.369 nan 8.300 nan 0.000 0.495 223 V N 0.745 120.893 119.914 0.390 0.000 2.806 223 V HA 0.148 -6.721 4.120 -18.317 0.000 0.239 223 V C -0.117 176.120 176.094 0.239 0.000 1.113 223 V CA 0.437 62.900 62.300 0.272 0.000 1.137 223 V CB 0.236 32.207 31.823 0.246 0.000 0.865 223 V HN 0.711 nan 8.190 nan 0.000 0.482 224 Q N -1.012 118.987 119.800 0.331 0.000 2.527 224 Q HA 0.686 -5.964 4.340 -18.317 0.000 0.280 224 Q C -1.645 174.570 176.000 0.358 0.000 0.977 224 Q CA 0.210 56.176 55.803 0.273 0.000 0.837 224 Q CB 2.073 30.898 28.738 0.145 0.000 1.454 224 Q HN 0.397 nan 8.270 nan 0.000 0.387 225 A N 1.634 124.563 122.820 0.181 0.000 2.393 225 A HA 0.850 -5.820 4.320 -18.317 0.000 0.306 225 A C -1.120 176.475 177.584 0.019 0.000 1.050 225 A CA -0.089 51.936 52.037 -0.021 0.000 0.724 225 A CB 1.369 20.146 19.000 -0.373 0.000 1.248 225 A HN 1.216 nan 8.150 nan 0.000 0.424 226 V N -0.590 119.355 119.914 0.051 0.000 2.769 226 V HA 0.708 -6.162 4.120 -18.317 0.000 0.312 226 V C -0.849 175.282 176.094 0.062 0.000 1.061 226 V CA -0.824 61.542 62.300 0.110 0.000 0.931 226 V CB 1.972 33.934 31.823 0.231 0.000 1.010 226 V HN 0.796 nan 8.190 nan 0.000 0.433 227 D N 2.344 122.794 120.400 0.084 0.000 2.313 227 D HA 0.379 -5.971 4.640 -18.317 0.000 0.239 227 D C -1.692 174.765 176.300 0.261 0.000 1.142 227 D CA 0.134 54.177 54.000 0.073 0.000 0.847 227 D CB 0.994 41.822 40.800 0.046 0.000 1.082 227 D HN 0.730 nan 8.370 nan 0.000 0.480 228 Y N 3.423 123.795 120.300 0.120 0.000 2.330 228 Y HA 0.420 -6.020 4.550 -18.316 0.000 0.324 228 Y C 0.665 176.695 175.900 0.217 0.000 1.093 228 Y CA 0.375 58.603 58.100 0.213 0.000 1.103 228 Y CB 1.236 39.910 38.460 0.356 0.000 1.183 228 Y HN 0.644 nan 8.280 nan 0.000 0.433 229 G N 4.458 113.057 108.800 -0.335 0.000 2.596 229 G HA2 -0.359 -7.389 3.960 -18.317 0.000 0.304 229 G HA3 -0.359 -7.389 3.960 -18.317 0.000 0.304 229 G C 0.496 175.318 174.900 -0.130 0.000 1.189 229 G CA 0.757 45.706 45.100 -0.251 0.000 0.986 229 G HN 0.592 nan 8.290 nan 0.000 0.548 230 D N 0.679 120.984 120.400 -0.158 0.000 2.340 230 D HA 0.281 -6.069 4.640 -18.317 0.000 0.220 230 D C 0.245 176.152 176.300 -0.655 0.000 1.039 230 D CA 0.841 54.578 54.000 -0.439 0.000 0.866 230 D CB 0.137 40.577 40.800 -0.600 0.000 0.913 230 D HN 0.381 nan 8.370 nan 0.000 0.523 231 Y N -0.206 119.995 120.300 -0.164 0.000 2.576 231 Y HA 0.378 -6.062 4.550 -18.317 0.000 0.346 231 Y C 0.209 175.837 175.900 -0.453 0.000 1.018 231 Y CA -1.298 56.575 58.100 -0.379 0.000 1.050 231 Y CB 1.710 39.730 38.460 -0.732 0.000 1.280 231 Y HN -0.295 nan 8.280 nan 0.000 0.474 232 I N 2.201 122.532 120.570 -0.398 0.000 2.359 232 I HA 0.230 -6.590 4.170 -18.317 0.000 0.294 232 I C -1.030 174.709 176.117 -0.629 0.000 0.987 232 I CA -1.364 59.601 61.300 -0.559 0.000 1.225 232 I CB 0.537 37.993 38.000 -0.907 0.000 1.366 232 I HN 0.541 nan 8.210 nan 0.000 0.466 233 Y N 5.426 125.536 120.300 -0.317 0.000 2.331 233 Y HA 0.478 -5.965 4.550 -18.321 0.000 0.338 233 Y C -0.292 175.329 175.900 -0.465 0.000 0.992 233 Y CA -0.487 57.419 58.100 -0.324 0.000 1.121 233 Y CB 1.333 39.639 38.460 -0.258 0.000 1.184 233 Y HN 0.281 nan 8.280 nan 0.000 0.469 234 F N 3.494 123.398 119.950 -0.077 0.000 2.436 234 F HA 0.526 -5.945 4.527 -18.329 0.000 0.340 234 F C -0.802 174.979 175.800 -0.031 0.000 1.113 234 F CA -0.897 57.150 58.000 0.079 0.000 1.022 234 F CB 0.853 39.976 39.000 0.204 0.000 1.128 234 F HN 0.257 nan 8.300 nan 0.000 0.466 235 F N 4.543 124.757 119.950 0.441 0.000 2.449 235 F HA 0.604 -5.867 4.527 -18.330 0.000 0.342 235 F C -0.367 175.682 175.800 0.414 0.000 1.127 235 F CA -1.018 57.138 58.000 0.260 0.000 0.975 235 F CB 1.170 40.221 39.000 0.085 0.000 1.146 235 F HN 0.350 nan 8.300 nan 0.000 0.444 236 F N 0.799 120.956 119.950 0.346 0.000 2.745 236 F HA 0.817 -5.664 4.527 -18.347 0.000 0.316 236 F C -1.528 174.393 175.800 0.202 0.000 1.155 236 F CA -1.711 56.469 58.000 0.299 0.000 0.937 236 F CB 1.603 40.834 39.000 0.385 0.000 1.361 236 F HN 0.382 nan 8.300 nan 0.000 0.472 237 R N 0.653 121.360 120.500 0.345 0.000 2.750 237 R HA 0.808 -5.842 4.340 -18.317 0.000 0.281 237 R C -1.634 174.833 176.300 0.279 0.000 0.972 237 R CA -0.679 55.532 56.100 0.185 0.000 0.912 237 R CB 2.656 33.033 30.300 0.129 0.000 1.187 237 R HN 0.960 nan 8.270 nan 0.000 0.464 238 E N 2.080 122.396 120.200 0.193 0.000 2.458 238 E HA 0.357 -6.283 4.350 -18.317 0.000 0.278 238 E C -1.010 175.629 176.600 0.065 0.000 1.004 238 E CA -1.081 55.425 56.400 0.176 0.000 0.823 238 E CB 1.295 31.185 29.700 0.317 0.000 1.396 238 E HN 0.480 nan 8.360 nan 0.000 0.463 239 I N 1.482 122.065 120.570 0.020 0.000 2.533 239 I HA 0.183 -6.637 4.170 -18.317 0.000 0.284 239 I C 0.224 176.283 176.117 -0.097 0.000 1.109 239 I CA -0.122 61.144 61.300 -0.056 0.000 1.412 239 I CB 0.787 38.762 38.000 -0.042 0.000 1.396 239 I HN 0.601 nan 8.210 nan 0.000 0.543 240 A N 6.673 129.336 122.820 -0.262 0.000 2.395 240 A HA 0.260 -6.410 4.320 -18.317 0.000 0.286 240 A C 1.214 178.614 177.584 -0.307 0.000 1.193 240 A CA -0.485 51.303 52.037 -0.415 0.000 0.852 240 A CB 0.249 18.560 19.000 -1.148 0.000 1.118 240 A HN 0.814 nan 8.150 nan 0.000 0.524 241 V N 1.152 120.903 119.914 -0.271 0.000 2.913 241 V HA -0.162 -7.032 4.120 -18.317 0.000 0.260 241 V C 1.441 177.245 176.094 -0.483 0.000 1.098 241 V CA 2.179 64.329 62.300 -0.250 0.000 1.121 241 V CB -1.052 30.667 31.823 -0.173 0.000 0.714 241 V HN 0.799 nan 8.190 nan 0.000 0.487 242 E N -0.451 119.328 120.200 -0.703 0.000 2.401 242 E HA -0.089 -6.729 4.350 -18.317 0.000 0.199 242 E C 1.152 177.535 176.600 -0.361 0.000 1.023 242 E CA 1.386 57.333 56.400 -0.755 0.000 0.859 242 E CB -0.269 29.187 29.700 -0.407 0.000 0.780 242 E HN 0.868 nan 8.360 nan 0.000 0.523 243 Y N -0.123 120.010 120.300 -0.278 0.000 2.641 243 Y HA 0.091 -6.347 4.550 -18.314 0.000 0.248 243 Y C 1.089 176.947 175.900 -0.071 0.000 1.170 243 Y CA -0.499 57.508 58.100 -0.156 0.000 1.201 243 Y CB 0.331 38.632 38.460 -0.265 0.000 1.232 243 Y HN 0.099 nan 8.280 nan 0.000 0.537 244 N N -1.390 117.374 118.700 0.107 0.000 2.585 244 N HA -0.114 -6.364 4.740 -18.317 0.000 0.188 244 N C 1.110 176.687 175.510 0.111 0.000 1.102 244 N CA 1.400 54.516 53.050 0.111 0.000 0.920 244 N CB -0.622 37.954 38.487 0.148 0.000 0.963 244 N HN 0.073 nan 8.380 nan 0.000 0.447 245 T N -0.009 114.616 114.554 0.117 0.000 3.054 245 T HA 0.231 -6.409 4.350 -18.317 0.000 0.259 245 T C 1.064 175.812 174.700 0.080 0.000 1.092 245 T CA 0.553 62.705 62.100 0.086 0.000 1.121 245 T CB -0.013 68.900 68.868 0.074 0.000 0.912 245 T HN 0.274 nan 8.240 nan 0.000 0.489 246 M N 0.723 120.391 119.600 0.114 0.000 2.705 246 M HA 0.392 -6.118 4.480 -18.317 0.000 0.387 246 M C 0.759 177.124 176.300 0.108 0.000 1.204 246 M CA -0.427 54.953 55.300 0.133 0.000 0.905 246 M CB 1.256 33.986 32.600 0.217 0.000 1.394 246 M HN 0.275 nan 8.290 nan 0.000 0.515 247 G N 2.010 110.847 108.800 0.062 0.000 2.698 247 G HA2 -0.227 -7.257 3.960 -18.317 0.000 0.225 247 G HA3 -0.227 -7.257 3.960 -18.317 0.000 0.225 247 G C -0.836 174.045 174.900 -0.030 0.000 1.345 247 G CA -0.861 44.246 45.100 0.013 0.000 0.871 247 G HN 0.416 nan 8.290 nan 0.000 0.540 248 K N -0.117 120.246 120.400 -0.062 0.000 2.292 248 K HA 0.546 -6.123 4.320 -18.317 0.000 0.290 248 K C -0.358 176.138 176.600 -0.174 0.000 1.083 248 K CA -0.443 55.786 56.287 -0.097 0.000 0.918 248 K CB 0.434 32.894 32.500 -0.066 0.000 1.089 248 K HN 0.594 nan 8.250 nan 0.000 0.473 249 V N 5.110 124.865 119.914 -0.264 0.000 2.531 249 V HA 0.262 -6.608 4.120 -18.317 0.000 0.301 249 V C -0.520 175.371 176.094 -0.338 0.000 1.034 249 V CA -1.078 60.980 62.300 -0.403 0.000 0.865 249 V CB 1.835 33.141 31.823 -0.862 0.000 0.995 249 V HN 0.436 nan 8.190 nan 0.000 0.424 250 V N 5.415 125.220 119.914 -0.182 0.000 2.432 250 V HA 0.461 -6.409 4.120 -18.317 0.000 0.275 250 V C -0.250 175.934 176.094 0.151 0.000 1.043 250 V CA -0.107 62.161 62.300 -0.054 0.000 0.925 250 V CB 1.071 32.889 31.823 -0.008 0.000 0.985 250 V HN 0.651 nan 8.190 nan 0.000 0.466 251 F N 5.469 125.383 119.950 -0.060 0.000 2.507 251 F HA 0.527 -5.941 4.527 -18.325 0.000 0.327 251 F C -2.069 173.704 175.800 -0.045 0.000 1.068 251 F CA -2.696 55.268 58.000 -0.059 0.000 0.965 251 F CB 2.975 41.923 39.000 -0.086 0.000 1.192 251 F HN 0.317 nan 8.300 nan 0.000 0.476 252 P HA 0.275 nan 4.420 nan 0.000 0.284 252 P C -1.322 175.914 177.300 -0.107 0.000 1.253 252 P CA -0.510 62.619 63.100 0.048 0.000 0.800 252 P CB 1.234 33.092 31.700 0.264 0.000 0.961 253 R N 1.467 121.787 120.500 -0.299 0.000 2.744 253 R HA 0.642 -6.008 4.340 -18.317 0.000 0.279 253 R C -1.114 174.926 176.300 -0.434 0.000 0.977 253 R CA -1.149 54.660 56.100 -0.486 0.000 0.906 253 R CB 2.256 31.967 30.300 -0.983 0.000 1.197 253 R HN 0.316 nan 8.270 nan 0.000 0.463 254 V N 0.940 120.660 119.914 -0.323 0.000 2.555 254 V HA 0.830 -6.040 4.120 -18.317 0.000 0.302 254 V C -0.915 175.136 176.094 -0.072 0.000 1.038 254 V CA -0.543 61.548 62.300 -0.348 0.000 0.887 254 V CB 1.696 33.218 31.823 -0.501 0.000 0.991 254 V HN 0.913 nan 8.190 nan 0.000 0.434 255 A N 5.550 128.382 122.820 0.021 0.000 2.365 255 A HA 0.758 -5.912 4.320 -18.317 0.000 0.318 255 A C -0.808 176.730 177.584 -0.078 0.000 1.091 255 A CA -0.662 51.383 52.037 0.013 0.000 0.763 255 A CB 1.759 20.881 19.000 0.204 0.000 1.248 255 A HN 0.844 nan 8.150 nan 0.000 0.442 256 Q N 1.198 120.692 119.800 -0.509 0.000 2.282 256 Q HA 0.638 -6.012 4.340 -18.317 0.000 0.260 256 Q C -1.233 174.513 176.000 -0.424 0.000 0.964 256 Q CA -0.636 54.759 55.803 -0.680 0.000 0.880 256 Q CB 1.661 29.553 28.738 -1.410 0.000 1.286 256 Q HN 1.034 nan 8.270 nan 0.000 0.445 257 V N 0.366 120.131 119.914 -0.249 0.000 2.709 257 V HA 0.496 -6.374 4.120 -18.317 0.000 0.308 257 V C -0.336 175.819 176.094 0.102 0.000 1.062 257 V CA -1.143 61.099 62.300 -0.097 0.000 0.901 257 V CB 1.207 32.812 31.823 -0.364 0.000 1.003 257 V HN 0.899 nan 8.190 nan 0.000 0.425 258 c N 5.052 123.767 118.600 0.191 0.000 2.633 258 c HA 0.161 -6.259 4.570 -18.317 0.000 0.415 258 c C 2.204 176.362 174.090 0.113 0.000 1.393 258 c CA -0.075 56.276 56.329 0.037 0.000 1.700 258 c CB -0.566 41.993 42.510 0.081 0.000 2.541 258 c HN 1.061 nan 8.230 nan 0.000 0.603 259 K N 2.565 122.958 120.400 -0.013 0.000 2.218 259 K HA -0.182 -6.852 4.320 -18.317 0.000 0.205 259 K C 1.342 178.034 176.600 0.153 0.000 1.046 259 K CA 1.685 58.039 56.287 0.112 0.000 0.933 259 K CB -0.072 32.426 32.500 -0.003 0.000 0.728 259 K HN 0.823 nan 8.250 nan 0.000 0.454 260 N N 0.353 119.097 118.700 0.074 0.000 2.251 260 N HA -0.053 -6.302 4.740 -18.317 0.000 0.217 260 N C -0.335 175.212 175.510 0.063 0.000 1.124 260 N CA -0.067 53.016 53.050 0.054 0.000 0.843 260 N CB 0.002 38.495 38.487 0.011 0.000 1.024 260 N HN -0.099 nan 8.380 nan 0.000 0.501 261 D N 0.839 121.326 120.400 0.145 0.000 2.493 261 D HA -0.026 -6.376 4.640 -18.317 0.000 0.240 261 D C 0.648 176.959 176.300 0.018 0.000 1.142 261 D CA 0.276 54.363 54.000 0.144 0.000 0.872 261 D CB 0.760 41.783 40.800 0.372 0.000 1.173 261 D HN 0.062 nan 8.370 nan 0.000 0.467 262 M N 1.622 121.190 119.600 -0.053 0.000 2.306 262 M HA 0.233 -6.277 4.480 -18.317 0.000 0.292 262 M C 0.891 177.115 176.300 -0.126 0.000 1.018 262 M CA 0.026 55.264 55.300 -0.104 0.000 1.007 262 M CB -0.035 32.498 32.600 -0.111 0.000 1.510 262 M HN 0.577 nan 8.290 nan 0.000 0.537 263 G N 0.168 108.909 108.800 -0.099 0.000 0.000 263 G HA2 0.007 -7.023 3.960 -18.317 0.000 0.000 263 G HA3 0.007 -7.023 3.960 -18.317 0.000 0.000 263 G C -0.151 174.720 174.900 -0.049 0.000 0.000 263 G CA -0.715 44.335 45.100 -0.085 0.000 0.000 263 G HN 0.512 nan 8.290 nan 0.000 0.000 264 G N -0.578 108.216 108.800 -0.010 0.000 2.535 264 G HA2 0.768 -6.262 3.960 -18.317 0.000 0.282 264 G HA3 0.768 -6.262 3.960 -18.317 0.000 0.282 264 G C 0.966 175.862 174.900 -0.007 0.000 1.350 264 G CA 1.106 46.220 45.100 0.023 0.000 1.039 264 G HN 2.166 nan 8.290 nan 0.000 0.509 265 S N -1.398 114.315 115.700 0.021 0.000 2.641 265 S HA 0.097 -6.423 4.470 -18.317 0.000 0.261 265 S C 1.490 176.094 174.600 0.006 0.000 1.257 265 S CA 0.359 58.568 58.200 0.014 0.000 0.983 265 S CB 0.909 64.133 63.200 0.041 0.000 0.990 265 S HN 0.754 nan 8.310 nan 0.000 0.572 266 Q N -0.032 119.771 119.800 0.004 0.000 2.291 266 Q HA -0.099 -6.748 4.340 -18.317 0.000 0.206 266 Q C 1.954 177.958 176.000 0.007 0.000 0.976 266 Q CA 1.117 56.920 55.803 -0.001 0.000 0.875 266 Q CB -0.364 28.373 28.738 -0.001 0.000 0.927 266 Q HN 0.654 nan 8.270 nan 0.000 0.450 267 R N 0.354 120.866 120.500 0.021 0.000 2.075 267 R HA 0.146 -6.504 4.340 -18.317 0.000 0.220 267 R C 0.032 176.352 176.300 0.033 0.000 1.118 267 R CA 0.721 56.837 56.100 0.027 0.000 0.986 267 R CB 0.686 31.009 30.300 0.038 0.000 0.884 267 R HN -0.002 nan 8.270 nan 0.000 0.439 268 V N 0.962 120.904 119.914 0.046 0.000 2.638 268 V HA 0.209 -6.661 4.120 -18.317 0.000 0.306 268 V C 0.002 176.135 176.094 0.066 0.000 1.052 268 V CA -0.828 61.508 62.300 0.062 0.000 0.885 268 V CB 1.935 33.813 31.823 0.091 0.000 0.999 268 V HN 0.326 nan 8.190 nan 0.000 0.424 269 L N 1.393 122.647 121.223 0.053 0.000 3.865 269 L HA -0.152 -6.802 4.340 -18.317 0.000 0.408 269 L C 0.841 177.714 176.870 0.005 0.000 1.209 269 L CA 0.550 55.421 54.840 0.051 0.000 0.940 269 L CB -0.797 41.355 42.059 0.156 0.000 1.971 269 L HN 0.869 nan 8.230 nan 0.000 0.899 270 E N 1.913 122.100 120.200 -0.021 0.000 2.452 270 E HA -0.018 -6.658 4.350 -18.317 0.000 0.261 270 E C 0.748 177.294 176.600 -0.090 0.000 0.987 270 E CA 0.180 56.551 56.400 -0.049 0.000 0.926 270 E CB 0.380 30.054 29.700 -0.044 0.000 0.934 270 E HN 0.166 nan 8.360 nan 0.000 0.452 271 K N 1.450 121.777 120.400 -0.121 0.000 3.472 271 K HA -0.245 -6.915 4.320 -18.317 0.000 0.315 271 K C -0.466 175.984 176.600 -0.249 0.000 1.320 271 K CA 1.198 57.377 56.287 -0.181 0.000 0.962 271 K CB -1.423 30.988 32.500 -0.148 0.000 1.251 271 K HN 0.657 nan 8.250 nan 0.000 0.443 272 Q N -0.758 118.923 119.800 -0.198 0.000 2.433 272 Q HA 0.425 -6.225 4.340 -18.317 0.000 0.279 272 Q C -0.521 175.443 176.000 -0.061 0.000 1.105 272 Q CA -1.035 54.647 55.803 -0.201 0.000 0.815 272 Q CB 0.927 29.586 28.738 -0.132 0.000 1.403 272 Q HN 0.132 nan 8.270 nan 0.000 0.435 273 W N 0.841 122.235 121.300 0.157 0.000 2.209 273 W HA 0.019 -6.311 4.660 -18.316 0.000 0.344 273 W C 1.262 177.976 176.519 0.325 0.000 1.285 273 W CA 0.695 58.188 57.345 0.248 0.000 1.267 273 W CB 0.428 30.087 29.460 0.331 0.000 1.167 273 W HN 0.739 nan 8.180 nan 0.000 0.574 274 T N -3.487 111.390 114.554 0.540 0.000 3.004 274 T HA 0.042 -6.598 4.350 -18.317 0.000 0.266 274 T C 0.935 175.880 174.700 0.408 0.000 0.986 274 T CA 0.276 62.637 62.100 0.435 0.000 0.902 274 T CB -0.170 68.913 68.868 0.359 0.000 1.118 274 T HN 0.369 nan 8.240 nan 0.000 0.522 275 S N 0.143 116.089 115.700 0.409 0.000 2.629 275 S HA 0.394 -6.126 4.470 -18.317 0.000 0.236 275 S C -0.116 174.565 174.600 0.134 0.000 1.010 275 S CA -0.775 57.590 58.200 0.275 0.000 0.981 275 S CB -0.699 62.671 63.200 0.284 0.000 0.919 275 S HN 0.347 nan 8.310 nan 0.000 0.514 276 F N 2.994 122.929 119.950 -0.025 0.000 2.533 276 F HA 0.569 -5.898 4.527 -18.324 0.000 0.378 276 F C -0.456 175.182 175.800 -0.271 0.000 1.070 276 F CA -0.683 57.161 58.000 -0.260 0.000 1.172 276 F CB 0.131 38.906 39.000 -0.375 0.000 1.085 276 F HN 0.136 nan 8.300 nan 0.000 0.552 277 L N 6.768 127.476 121.223 -0.860 0.000 2.455 277 L HA 0.478 -6.171 4.340 -18.317 0.000 0.264 277 L C -1.141 175.359 176.870 -0.618 0.000 0.968 277 L CA -1.009 53.468 54.840 -0.604 0.000 0.827 277 L CB 2.481 44.343 42.059 -0.329 0.000 1.317 277 L HN 0.573 nan 8.230 nan 0.000 0.407 278 K N 1.984 122.240 120.400 -0.241 0.000 2.443 278 K HA 1.000 -5.670 4.320 -18.317 0.000 0.251 278 K C -1.507 175.132 176.600 0.065 0.000 0.972 278 K CA -0.832 55.427 56.287 -0.046 0.000 0.833 278 K CB 2.966 35.390 32.500 -0.125 0.000 1.317 278 K HN 0.553 nan 8.250 nan 0.000 0.441 279 A N 1.387 124.188 122.820 -0.030 0.000 2.549 279 A HA 0.487 -6.183 4.320 -18.317 0.000 0.297 279 A C -1.221 176.251 177.584 -0.186 0.000 1.061 279 A CA -0.964 50.981 52.037 -0.153 0.000 0.690 279 A CB 1.596 20.392 19.000 -0.340 0.000 1.287 279 A HN 0.850 nan 8.150 nan 0.000 0.402 280 R N 1.722 122.118 120.500 -0.173 0.000 2.585 280 R HA 0.285 -6.365 4.340 -18.317 0.000 0.275 280 R C -1.014 175.144 176.300 -0.238 0.000 1.018 280 R CA 0.055 56.024 56.100 -0.218 0.000 1.072 280 R CB 0.014 30.136 30.300 -0.298 0.000 0.953 280 R HN 0.643 nan 8.270 nan 0.000 0.419 281 L N 3.493 124.591 121.223 -0.209 0.000 2.350 281 L HA 0.185 -6.465 4.340 -18.317 0.000 0.275 281 L C 0.323 177.109 176.870 -0.140 0.000 1.099 281 L CA -0.537 54.190 54.840 -0.189 0.000 0.808 281 L CB 1.061 43.036 42.059 -0.139 0.000 1.149 281 L HN 0.650 nan 8.230 nan 0.000 0.442 282 N N 2.265 120.940 118.700 -0.041 0.000 2.501 282 N HA 0.184 -6.066 4.740 -18.317 0.000 0.245 282 N C -1.529 173.967 175.510 -0.022 0.000 0.974 282 N CA -0.279 52.766 53.050 -0.009 0.000 0.941 282 N CB 1.238 39.730 38.487 0.008 0.000 1.122 282 N HN 0.523 nan 8.380 nan 0.000 0.507 283 c N 4.291 122.775 118.600 -0.192 0.000 2.386 283 c HA 0.769 -5.651 4.570 -18.317 0.000 0.318 283 c C -0.600 173.412 174.090 -0.130 0.000 1.128 283 c CA -0.276 55.823 56.329 -0.383 0.000 1.438 283 c CB -1.587 40.184 42.510 -1.231 0.000 1.987 283 c HN 0.760 nan 8.230 nan 0.000 0.426 284 S N 3.912 119.550 115.700 -0.103 0.000 2.556 284 S HA 0.724 -5.796 4.470 -18.317 0.000 0.271 284 S C -1.231 173.380 174.600 0.018 0.000 1.135 284 S CA -0.664 57.488 58.200 -0.080 0.000 0.858 284 S CB 1.253 64.143 63.200 -0.517 0.000 1.114 284 S HN 0.514 nan 8.310 nan 0.000 0.468 285 V N 3.328 123.357 119.914 0.191 0.000 2.408 285 V HA 0.417 -6.453 4.120 -18.317 0.000 0.267 285 V C -2.172 173.996 176.094 0.123 0.000 1.047 285 V CA -1.393 61.002 62.300 0.158 0.000 0.937 285 V CB 0.565 32.553 31.823 0.276 0.000 0.999 285 V HN 0.776 nan 8.190 nan 0.000 0.472 286 P HA 0.646 nan 4.420 nan 0.000 0.276 286 P C 0.147 177.555 177.300 0.179 0.000 1.244 286 P CA 0.041 63.271 63.100 0.217 0.000 0.801 286 P CB 1.410 33.173 31.700 0.105 0.000 1.006 287 G N 0.431 109.335 108.800 0.174 0.000 2.341 287 G HA2 0.230 -6.800 3.960 -18.317 0.000 0.299 287 G HA3 0.230 -6.800 3.960 -18.317 0.000 0.299 287 G C -0.273 174.549 174.900 -0.130 0.000 1.274 287 G CA -0.402 44.705 45.100 0.012 0.000 0.853 287 G HN 0.401 nan 8.290 nan 0.000 0.493 288 D N -0.464 119.877 120.400 -0.099 0.000 2.218 288 D HA 0.003 -6.347 4.640 -18.317 0.000 0.204 288 D C 1.340 177.518 176.300 -0.203 0.000 0.976 288 D CA 1.482 55.409 54.000 -0.122 0.000 0.853 288 D CB -0.200 40.565 40.800 -0.059 0.000 0.939 288 D HN 0.757 nan 8.370 nan 0.000 0.481 289 S N -0.535 115.047 115.700 -0.198 0.000 2.526 289 S HA 0.374 -6.146 4.470 -18.317 0.000 0.293 289 S C -0.599 173.869 174.600 -0.220 0.000 1.092 289 S CA -1.037 57.029 58.200 -0.223 0.000 0.980 289 S CB 1.752 64.918 63.200 -0.056 0.000 1.048 289 S HN 0.127 nan 8.310 nan 0.000 0.483 290 H N 1.702 120.779 119.070 0.011 0.000 2.502 290 H HA 0.366 -6.068 4.556 -18.317 0.000 0.327 290 H C -1.220 174.005 175.328 -0.171 0.000 1.099 290 H CA -0.615 55.339 56.048 -0.157 0.000 1.323 290 H CB 0.909 30.415 29.762 -0.427 0.000 1.450 290 H HN 0.683 nan 8.280 nan 0.000 0.502 291 F N 3.867 123.719 119.950 -0.163 0.000 2.350 291 F HA 0.198 -6.263 4.527 -18.314 0.000 0.365 291 F C -0.911 174.725 175.800 -0.273 0.000 1.122 291 F CA -0.804 57.096 58.000 -0.166 0.000 1.139 291 F CB -0.143 38.820 39.000 -0.062 0.000 1.220 291 F HN 0.346 nan 8.300 nan 0.000 0.499 292 Y N 5.487 125.493 120.300 -0.489 0.000 2.316 292 Y HA 0.316 -6.125 4.550 -18.319 0.000 0.331 292 Y C -0.496 174.974 175.900 -0.717 0.000 1.083 292 Y CA -0.390 57.462 58.100 -0.412 0.000 1.206 292 Y CB 0.452 38.764 38.460 -0.247 0.000 1.195 292 Y HN 0.366 nan 8.280 nan 0.000 0.497 293 F N 3.086 122.899 119.950 -0.228 0.000 2.390 293 F HA 0.286 -6.181 4.527 -18.323 0.000 0.361 293 F C 0.891 176.731 175.800 0.067 0.000 1.124 293 F CA -0.314 57.633 58.000 -0.088 0.000 1.149 293 F CB 0.539 39.561 39.000 0.036 0.000 1.160 293 F HN 0.569 nan 8.300 nan 0.000 0.501 294 N N 2.401 121.223 118.700 0.204 0.000 2.322 294 N HA 0.114 -6.136 4.740 -18.317 0.000 0.181 294 N C 0.086 175.749 175.510 0.255 0.000 1.088 294 N CA 0.441 53.618 53.050 0.212 0.000 0.885 294 N CB 0.623 39.195 38.487 0.141 0.000 1.013 294 N HN 0.250 nan 8.380 nan 0.000 0.472 295 I N 2.444 123.159 120.570 0.242 0.000 2.287 295 I HA 0.172 -6.648 4.170 -18.317 0.000 0.290 295 I C 0.108 176.273 176.117 0.079 0.000 1.069 295 I CA -1.098 60.283 61.300 0.135 0.000 1.237 295 I CB 0.026 38.077 38.000 0.083 0.000 1.418 295 I HN -0.101 nan 8.210 nan 0.000 0.481 296 L N 7.694 128.893 121.223 -0.039 0.000 2.477 296 L HA 0.084 -6.566 4.340 -18.317 0.000 0.272 296 L C 1.207 177.985 176.870 -0.153 0.000 1.157 296 L CA 0.963 55.617 54.840 -0.309 0.000 0.889 296 L CB 0.484 42.386 42.059 -0.260 0.000 1.158 296 L HN 0.499 nan 8.230 nan 0.000 0.473 297 Q N 4.437 124.123 119.800 -0.190 0.000 2.387 297 Q HA 0.472 -6.178 4.340 -18.317 0.000 0.208 297 Q C -0.061 175.927 176.000 -0.020 0.000 0.935 297 Q CA 0.962 56.736 55.803 -0.048 0.000 0.891 297 Q CB 0.400 29.132 28.738 -0.010 0.000 1.007 297 Q HN 0.760 nan 8.270 nan 0.000 0.548 298 A N -0.018 122.743 122.820 -0.098 0.000 2.606 298 A HA 0.660 -6.010 4.320 -18.317 0.000 0.293 298 A C -1.346 176.140 177.584 -0.164 0.000 1.082 298 A CA -0.499 51.495 52.037 -0.072 0.000 0.685 298 A CB 1.775 20.762 19.000 -0.023 0.000 1.284 298 A HN -0.054 nan 8.150 nan 0.000 0.408 299 V N 1.180 120.995 119.914 -0.165 0.000 2.760 299 V HA 0.646 -6.224 4.120 -18.317 0.000 0.309 299 V C 0.617 176.592 176.094 -0.198 0.000 1.077 299 V CA -0.067 62.059 62.300 -0.290 0.000 0.910 299 V CB 1.985 33.453 31.823 -0.592 0.000 1.008 299 V HN 1.293 nan 8.190 nan 0.000 0.424 300 T N 0.065 114.509 114.554 -0.184 0.000 2.788 300 T HA 0.290 -6.350 4.350 -18.317 0.000 0.287 300 T C -0.009 174.630 174.700 -0.101 0.000 1.007 300 T CA -0.592 61.444 62.100 -0.105 0.000 1.005 300 T CB 0.664 69.487 68.868 -0.077 0.000 1.012 300 T HN 0.567 nan 8.240 nan 0.000 0.530 301 D N 0.233 120.610 120.400 -0.038 0.000 2.361 301 D HA 0.195 -6.155 4.640 -18.317 0.000 0.239 301 D C 0.127 176.417 176.300 -0.018 0.000 1.200 301 D CA -0.434 53.562 54.000 -0.007 0.000 0.915 301 D CB 0.598 41.414 40.800 0.026 0.000 1.170 301 D HN 0.407 nan 8.370 nan 0.000 0.444 302 V N 2.347 122.267 119.914 0.009 0.000 2.493 302 V HA 0.087 -6.783 4.120 -18.317 0.000 0.292 302 V C 0.593 176.697 176.094 0.016 0.000 1.016 302 V CA 0.390 62.683 62.300 -0.012 0.000 1.097 302 V CB -0.538 31.287 31.823 0.003 0.000 0.947 302 V HN 0.262 nan 8.190 nan 0.000 0.479 303 I N 2.608 123.177 120.570 -0.002 0.000 2.934 303 I HA 0.716 -6.104 4.170 -18.317 0.000 0.306 303 I C -0.423 175.712 176.117 0.031 0.000 1.110 303 I CA -1.478 59.837 61.300 0.025 0.000 1.019 303 I CB 2.328 40.343 38.000 0.024 0.000 1.227 303 I HN 0.488 nan 8.210 nan 0.000 0.434 304 R N 3.830 124.358 120.500 0.047 0.000 2.229 304 R HA 0.782 -5.868 4.340 -18.317 0.000 0.328 304 R C -1.661 174.671 176.300 0.054 0.000 1.009 304 R CA -0.170 55.961 56.100 0.052 0.000 0.864 304 R CB 0.842 31.175 30.300 0.055 0.000 1.085 304 R HN 0.780 nan 8.270 nan 0.000 0.453 305 I N 4.049 124.657 120.570 0.063 0.000 2.607 305 I HA 0.210 -6.609 4.170 -18.317 0.000 0.290 305 I C -0.485 175.667 176.117 0.058 0.000 1.129 305 I CA -1.123 60.222 61.300 0.075 0.000 1.042 305 I CB 2.193 40.281 38.000 0.146 0.000 1.242 305 I HN 0.780 nan 8.210 nan 0.000 0.421 306 N N 4.221 122.936 118.700 0.024 0.000 2.710 306 N HA -0.212 -6.462 4.740 -18.317 0.000 0.249 306 N C 0.864 176.377 175.510 0.005 0.000 1.059 306 N CA 1.639 54.687 53.050 -0.002 0.000 0.720 306 N CB -0.842 37.636 38.487 -0.016 0.000 0.983 306 N HN 1.180 nan 8.380 nan 0.000 0.544 307 G N -2.352 106.457 108.800 0.015 0.000 2.199 307 G HA2 -0.355 -7.385 3.960 -18.317 0.000 0.254 307 G HA3 -0.355 -7.385 3.960 -18.317 0.000 0.254 307 G C 0.050 174.972 174.900 0.038 0.000 0.982 307 G CA 0.522 45.635 45.100 0.021 0.000 0.632 307 G HN 0.421 nan 8.290 nan 0.000 0.529 308 R N 0.923 121.449 120.500 0.043 0.000 2.540 308 R HA 0.519 -6.131 4.340 -18.317 0.000 0.287 308 R C -0.999 175.329 176.300 0.046 0.000 0.980 308 R CA -0.941 55.188 56.100 0.048 0.000 0.966 308 R CB 0.684 31.012 30.300 0.046 0.000 1.106 308 R HN 0.150 nan 8.270 nan 0.000 0.480 309 D N 2.136 122.558 120.400 0.037 0.000 2.316 309 D HA 0.227 -6.123 4.640 -18.317 0.000 0.245 309 D C 0.089 176.335 176.300 -0.091 0.000 1.171 309 D CA -0.055 53.938 54.000 -0.012 0.000 0.856 309 D CB 1.250 42.048 40.800 -0.004 0.000 1.090 309 D HN 0.278 nan 8.370 nan 0.000 0.476 310 V N -0.163 119.708 119.914 -0.072 0.000 3.001 310 V HA 0.782 -6.088 4.120 -18.317 0.000 0.314 310 V C -0.212 175.819 176.094 -0.104 0.000 1.099 310 V CA -1.008 61.242 62.300 -0.083 0.000 0.989 310 V CB 1.902 33.699 31.823 -0.044 0.000 1.040 310 V HN 0.240 nan 8.190 nan 0.000 0.434 311 V N 0.977 120.828 119.914 -0.106 0.000 2.581 311 V HA 0.797 -6.073 4.120 -18.317 0.000 0.303 311 V C -0.625 175.380 176.094 -0.148 0.000 1.041 311 V CA -0.744 61.471 62.300 -0.141 0.000 0.907 311 V CB 1.260 32.934 31.823 -0.249 0.000 0.994 311 V HN 0.816 nan 8.190 nan 0.000 0.442 312 L N 4.172 125.294 121.223 -0.167 0.000 2.295 312 L HA 0.882 -5.767 4.340 -18.317 0.000 0.285 312 L C 0.419 177.219 176.870 -0.117 0.000 1.035 312 L CA -0.036 54.699 54.840 -0.175 0.000 0.806 312 L CB 1.433 43.395 42.059 -0.161 0.000 1.214 312 L HN 1.091 nan 8.230 nan 0.000 0.426 313 A N 1.217 124.028 122.820 -0.015 0.000 2.371 313 A HA 0.771 -5.899 4.320 -18.317 0.000 0.311 313 A C -0.346 177.271 177.584 0.053 0.000 1.068 313 A CA -0.539 51.475 52.037 -0.039 0.000 0.744 313 A CB 1.146 20.134 19.000 -0.019 0.000 1.239 313 A HN 0.644 nan 8.150 nan 0.000 0.435 314 T N -0.222 114.273 114.554 -0.099 0.000 2.767 314 T HA 0.724 -5.916 4.350 -18.317 0.000 0.288 314 T C -0.663 173.954 174.700 -0.139 0.000 0.963 314 T CA -0.186 61.915 62.100 0.002 0.000 1.019 314 T CB 0.101 68.978 68.868 0.014 0.000 0.923 314 T HN 0.263 nan 8.240 nan 0.000 0.468 315 F N 0.958 120.913 119.950 0.007 0.000 2.546 315 F HA 0.699 -5.748 4.527 -18.289 0.000 0.320 315 F C 0.622 176.504 175.800 0.137 0.000 1.076 315 F CA -0.816 57.225 58.000 0.068 0.000 0.928 315 F CB 2.606 41.654 39.000 0.080 0.000 1.189 315 F HN 0.609 nan 8.300 nan 0.000 0.465 316 S N -0.402 115.531 115.700 0.387 0.000 2.671 316 S HA 0.622 -5.898 4.470 -18.317 0.000 0.299 316 S C -0.555 174.268 174.600 0.371 0.000 1.116 316 S CA -0.906 57.527 58.200 0.388 0.000 0.912 316 S CB 1.864 65.198 63.200 0.224 0.000 1.130 316 S HN 0.683 nan 8.310 nan 0.000 0.501 317 T N 0.785 115.507 114.554 0.280 0.000 2.882 317 T HA 0.526 -6.114 4.350 -18.317 0.000 0.287 317 T C -2.787 171.962 174.700 0.081 0.000 1.014 317 T CA -1.619 60.528 62.100 0.077 0.000 1.049 317 T CB 0.031 68.913 68.868 0.022 0.000 1.001 317 T HN 0.222 nan 8.240 nan 0.000 0.525 318 P HA 0.105 nan 4.420 nan 0.000 0.272 318 P C 0.399 177.758 177.300 0.098 0.000 1.240 318 P CA -0.576 62.561 63.100 0.062 0.000 0.791 318 P CB 0.250 31.964 31.700 0.023 0.000 0.978 319 Y N 1.301 121.590 120.300 -0.018 0.000 2.030 319 Y HA -0.278 -6.711 4.550 -18.306 0.000 0.272 319 Y C 1.271 177.164 175.900 -0.013 0.000 1.185 319 Y CA 2.118 60.209 58.100 -0.015 0.000 1.120 319 Y CB -0.851 37.593 38.460 -0.026 0.000 0.955 319 Y HN 0.312 nan 8.280 nan 0.000 0.495 320 N N 0.934 119.651 118.700 0.027 0.000 3.050 320 N HA 0.169 -6.081 4.740 -18.317 0.000 0.289 320 N C -1.440 174.041 175.510 -0.048 0.000 1.209 320 N CA 0.518 53.535 53.050 -0.054 0.000 1.154 320 N CB -0.334 38.155 38.487 0.003 0.000 1.444 320 N HN 0.374 nan 8.380 nan 0.000 0.529 321 S N 0.040 115.698 115.700 -0.069 0.000 2.661 321 S HA 0.448 -6.072 4.470 -18.317 0.000 0.268 321 S C -0.558 174.009 174.600 -0.054 0.000 1.162 321 S CA -1.001 57.171 58.200 -0.047 0.000 0.817 321 S CB 0.162 63.349 63.200 -0.023 0.000 1.141 321 S HN 0.112 nan 8.310 nan 0.000 0.477 322 I N 3.072 123.617 120.570 -0.042 0.000 2.581 322 I HA 0.243 -6.577 4.170 -18.317 0.000 0.285 322 I C -1.930 174.178 176.117 -0.015 0.000 1.129 322 I CA -1.442 59.830 61.300 -0.047 0.000 1.397 322 I CB 0.188 38.146 38.000 -0.071 0.000 1.399 322 I HN 0.448 nan 8.210 nan 0.000 0.537 323 P HA 0.116 nan 4.420 nan 0.000 0.262 323 P C -0.124 177.219 177.300 0.072 0.000 1.182 323 P CA 0.090 63.203 63.100 0.023 0.000 0.761 323 P CB 0.747 32.440 31.700 -0.013 0.000 0.795 324 G N 0.915 109.823 108.800 0.180 0.000 2.755 324 G HA2 0.490 -6.540 3.960 -18.317 0.000 0.297 324 G HA3 0.490 -6.540 3.960 -18.317 0.000 0.297 324 G C -1.460 173.768 174.900 0.547 0.000 1.441 324 G CA -0.340 44.974 45.100 0.357 0.000 0.964 324 G HN 0.379 nan 8.290 nan 0.000 0.540 325 S N -0.808 115.139 115.700 0.412 0.000 2.542 325 S HA 0.925 -5.595 4.470 -18.317 0.000 0.293 325 S C -0.165 174.328 174.600 -0.178 0.000 1.089 325 S CA -0.270 58.054 58.200 0.208 0.000 0.961 325 S CB 1.937 65.239 63.200 0.171 0.000 1.062 325 S HN 1.605 nan 8.310 nan 0.000 0.483 326 A N 1.483 124.062 122.820 -0.401 0.000 2.475 326 A HA 0.790 -5.880 4.320 -18.317 0.000 0.301 326 A C -1.367 176.155 177.584 -0.103 0.000 1.059 326 A CA -0.655 51.059 52.037 -0.537 0.000 0.710 326 A CB 1.292 19.509 19.000 -1.306 0.000 1.288 326 A HN 0.612 nan 8.150 nan 0.000 0.408 327 V N 1.235 121.122 119.914 -0.045 0.000 2.313 327 V HA 0.331 -6.539 4.120 -18.317 0.000 0.278 327 V C -0.262 175.782 176.094 -0.083 0.000 1.017 327 V CA -0.562 61.763 62.300 0.043 0.000 0.823 327 V CB 0.445 32.339 31.823 0.118 0.000 1.010 327 V HN 0.957 nan 8.190 nan 0.000 0.443 328 c N 4.047 122.589 118.600 -0.098 0.000 2.365 328 c HA 0.906 -5.513 4.570 -18.317 0.000 0.349 328 c C 0.806 174.540 174.090 -0.593 0.000 1.191 328 c CA -0.443 55.648 56.329 -0.397 0.000 2.114 328 c CB 1.176 43.436 42.510 -0.418 0.000 2.367 328 c HN 0.969 nan 8.230 nan 0.000 0.530 329 A N 1.790 123.961 122.820 -1.082 0.000 2.340 329 A HA 0.853 -5.817 4.320 -18.317 0.000 0.331 329 A C -1.653 175.344 177.584 -0.978 0.000 1.140 329 A CA -0.302 51.133 52.037 -1.003 0.000 0.801 329 A CB 0.598 18.680 19.000 -1.529 0.000 1.234 329 A HN 0.828 nan 8.150 nan 0.000 0.469 330 Y N 0.544 120.696 120.300 -0.247 0.000 2.391 330 Y HA 0.317 -6.121 4.550 -18.314 0.000 0.341 330 Y C -0.087 175.732 175.900 -0.135 0.000 0.965 330 Y CA -0.738 57.273 58.100 -0.147 0.000 1.067 330 Y CB 1.905 40.314 38.460 -0.085 0.000 1.199 330 Y HN 0.691 nan 8.280 nan 0.000 0.450 331 D N 3.657 124.063 120.400 0.009 0.000 2.312 331 D HA 0.067 -6.283 4.640 -18.317 0.000 0.252 331 D C 0.949 177.207 176.300 -0.070 0.000 1.150 331 D CA -0.084 53.899 54.000 -0.029 0.000 0.870 331 D CB 1.128 41.922 40.800 -0.010 0.000 1.153 331 D HN 0.537 nan 8.370 nan 0.000 0.457 332 M N 3.688 123.188 119.600 -0.167 0.000 2.143 332 M HA -0.209 -6.719 4.480 -18.317 0.000 0.258 332 M C 1.835 178.068 176.300 -0.112 0.000 1.071 332 M CA 0.952 56.080 55.300 -0.287 0.000 1.088 332 M CB -0.981 31.216 32.600 -0.671 0.000 1.360 332 M HN 0.463 nan 8.290 nan 0.000 0.404 333 L N 0.836 122.047 121.223 -0.020 0.000 2.017 333 L HA -0.176 -6.826 4.340 -18.317 0.000 0.208 333 L C 1.893 178.755 176.870 -0.013 0.000 1.073 333 L CA 1.982 56.839 54.840 0.028 0.000 0.745 333 L CB -1.034 41.052 42.059 0.045 0.000 0.894 333 L HN 0.247 nan 8.230 nan 0.000 0.432 334 D N -0.366 120.015 120.400 -0.032 0.000 2.123 334 D HA -0.216 -6.566 4.640 -18.317 0.000 0.196 334 D C 2.332 178.563 176.300 -0.115 0.000 0.992 334 D CA 1.846 55.815 54.000 -0.053 0.000 0.833 334 D CB -0.061 40.729 40.800 -0.017 0.000 0.954 334 D HN 0.429 nan 8.370 nan 0.000 0.455 335 I N 1.428 121.914 120.570 -0.139 0.000 2.142 335 I HA -0.284 -7.104 4.170 -18.317 0.000 0.240 335 I C 2.640 178.647 176.117 -0.184 0.000 1.078 335 I CA 1.175 62.331 61.300 -0.239 0.000 1.343 335 I CB -0.319 37.472 38.000 -0.349 0.000 1.046 335 I HN -0.080 nan 8.210 nan 0.000 0.405 336 A N 1.063 123.856 122.820 -0.045 0.000 1.892 336 A HA -0.277 -6.947 4.320 -18.317 0.000 0.218 336 A C 2.053 179.656 177.584 0.032 0.000 1.188 336 A CA 2.367 54.469 52.037 0.108 0.000 0.631 336 A CB -0.872 18.221 19.000 0.155 0.000 0.822 336 A HN 0.452 nan 8.150 nan 0.000 0.447 337 N N 0.032 118.707 118.700 -0.043 0.000 2.205 337 N HA -0.118 -6.368 4.740 -18.317 0.000 0.186 337 N C 1.632 177.048 175.510 -0.157 0.000 1.015 337 N CA 1.486 54.497 53.050 -0.066 0.000 0.862 337 N CB -0.614 37.839 38.487 -0.058 0.000 0.986 337 N HN 0.297 nan 8.380 nan 0.000 0.429 338 V N 0.520 120.247 119.914 -0.311 0.000 2.332 338 V HA -0.198 -7.068 4.120 -18.317 0.000 0.248 338 V C 1.500 177.291 176.094 -0.506 0.000 1.055 338 V CA 1.302 63.318 62.300 -0.473 0.000 1.038 338 V CB -0.748 30.661 31.823 -0.690 0.000 0.651 338 V HN 0.137 nan 8.190 nan 0.000 0.450 339 F N 1.072 120.922 119.950 -0.166 0.000 2.771 339 F HA -0.030 -6.496 4.527 -18.321 0.000 0.299 339 F C 2.338 178.022 175.800 -0.192 0.000 1.177 339 F CA 1.211 59.093 58.000 -0.197 0.000 1.450 339 F CB -1.251 37.644 39.000 -0.175 0.000 1.114 339 F HN 0.323 nan 8.300 nan 0.000 0.587 340 T N -3.294 111.236 114.554 -0.041 0.000 3.044 340 T HA 0.349 -6.291 4.350 -18.317 0.000 0.250 340 T C 1.353 175.983 174.700 -0.117 0.000 1.081 340 T CA 0.326 62.399 62.100 -0.044 0.000 1.040 340 T CB -0.411 68.458 68.868 0.000 0.000 0.962 340 T HN 0.135 nan 8.240 nan 0.000 0.506 341 G N 1.095 109.783 108.800 -0.186 0.000 2.516 341 G HA2 0.490 -6.540 3.960 -18.317 0.000 0.276 341 G HA3 0.490 -6.540 3.960 -18.317 0.000 0.276 341 G C -0.244 174.498 174.900 -0.264 0.000 1.390 341 G CA -1.107 43.883 45.100 -0.183 0.000 1.050 341 G HN 0.408 nan 8.290 nan 0.000 0.519 342 R N -1.327 119.070 120.500 -0.172 0.000 2.679 342 R HA 0.275 -6.375 4.340 -18.317 0.000 0.269 342 R C -0.740 175.449 176.300 -0.184 0.000 1.076 342 R CA -0.051 55.985 56.100 -0.107 0.000 1.160 342 R CB 0.481 30.788 30.300 0.011 0.000 1.054 342 R HN 0.321 nan 8.270 nan 0.000 0.507 343 F N 0.660 120.682 119.950 0.120 0.000 2.378 343 F HA 0.318 -6.146 4.527 -18.318 0.000 0.325 343 F C 0.892 176.801 175.800 0.181 0.000 1.097 343 F CA -0.305 57.799 58.000 0.173 0.000 1.079 343 F CB 0.869 40.026 39.000 0.261 0.000 1.240 343 F HN 0.136 nan 8.300 nan 0.000 0.519 344 K N 1.506 122.167 120.400 0.435 0.000 2.130 344 K HA 0.379 -6.291 4.320 -18.317 0.000 0.268 344 K C -0.794 176.103 176.600 0.496 0.000 0.983 344 K CA -0.518 56.031 56.287 0.436 0.000 0.893 344 K CB 1.247 34.032 32.500 0.474 0.000 1.066 344 K HN 0.813 nan 8.250 nan 0.000 0.450 345 E N 1.761 122.146 120.200 0.309 0.000 2.433 345 E HA 0.211 -6.429 4.350 -18.317 0.000 0.273 345 E C -1.337 174.979 176.600 -0.473 0.000 0.950 345 E CA -1.055 55.350 56.400 0.008 0.000 0.796 345 E CB 1.714 31.485 29.700 0.117 0.000 1.330 345 E HN 0.335 nan 8.360 nan 0.000 0.455 346 Q N 0.968 120.303 119.800 -0.776 0.000 2.464 346 Q HA 0.210 -6.440 4.340 -18.317 0.000 0.256 346 Q C -0.107 175.656 176.000 -0.395 0.000 1.020 346 Q CA -0.389 54.919 55.803 -0.824 0.000 0.716 346 Q CB 1.096 29.039 28.738 -1.326 0.000 1.230 346 Q HN 0.611 nan 8.270 nan 0.000 0.494 347 K N 0.455 120.713 120.400 -0.237 0.000 2.089 347 K HA -0.143 -6.813 4.320 -18.317 0.000 0.210 347 K C 0.745 177.274 176.600 -0.119 0.000 1.048 347 K CA 1.670 57.879 56.287 -0.129 0.000 0.926 347 K CB 0.057 32.510 32.500 -0.079 0.000 0.714 347 K HN 0.602 nan 8.250 nan 0.000 0.448 348 S N -1.869 113.752 115.700 -0.132 0.000 2.651 348 S HA 0.320 -6.200 4.470 -18.317 0.000 0.279 348 S C -2.654 171.883 174.600 -0.106 0.000 1.148 348 S CA -1.419 56.723 58.200 -0.097 0.000 0.837 348 S CB 1.943 65.106 63.200 -0.060 0.000 1.138 348 S HN -0.273 nan 8.310 nan 0.000 0.478 349 P HA 0.112 nan 4.420 nan 0.000 0.228 349 P C -0.043 177.238 177.300 -0.033 0.000 1.151 349 P CA 0.901 63.972 63.100 -0.047 0.000 0.770 349 P CB -0.068 31.618 31.700 -0.023 0.000 0.786 350 D N -1.410 118.968 120.400 -0.037 0.000 2.388 350 D HA 0.145 -6.205 4.640 -18.317 0.000 0.221 350 D C 0.014 176.296 176.300 -0.029 0.000 1.133 350 D CA 0.361 54.348 54.000 -0.022 0.000 0.831 350 D CB 0.290 41.080 40.800 -0.016 0.000 0.962 350 D HN 0.069 nan 8.370 nan 0.000 0.502 351 S N -0.637 115.029 115.700 -0.057 0.000 2.578 351 S HA 0.333 -6.187 4.470 -18.317 0.000 0.301 351 S C 0.194 174.761 174.600 -0.054 0.000 1.091 351 S CA -0.598 57.563 58.200 -0.066 0.000 1.032 351 S CB 2.714 65.850 63.200 -0.107 0.000 1.064 351 S HN 0.038 nan 8.310 nan 0.000 0.508 352 T N 0.925 115.471 114.554 -0.013 0.000 2.813 352 T HA 0.217 -6.423 4.350 -18.317 0.000 0.297 352 T C -0.789 173.937 174.700 0.043 0.000 1.036 352 T CA -0.184 61.948 62.100 0.053 0.000 1.044 352 T CB 0.044 68.941 68.868 0.048 0.000 0.993 352 T HN 0.445 nan 8.240 nan 0.000 0.535 353 W N 2.865 124.149 121.300 -0.028 0.000 2.304 353 W HA 0.421 -5.905 4.660 -18.310 0.000 0.313 353 W C 0.886 177.413 176.519 0.013 0.000 1.323 353 W CA -0.374 56.972 57.345 0.002 0.000 1.223 353 W CB 0.329 29.791 29.460 0.003 0.000 1.237 353 W HN 0.803 nan 8.180 nan 0.000 0.535 354 T N 1.280 115.940 114.554 0.176 0.000 2.907 354 T HA 0.661 -5.979 4.350 -18.317 0.000 0.290 354 T C -2.822 171.966 174.700 0.148 0.000 1.066 354 T CA -2.921 59.255 62.100 0.126 0.000 1.012 354 T CB 1.993 70.897 68.868 0.060 0.000 1.184 354 T HN -0.069 nan 8.240 nan 0.000 0.522 355 P HA 0.384 nan 4.420 nan 0.000 0.279 355 P C -0.620 176.757 177.300 0.128 0.000 1.239 355 P CA -0.604 62.573 63.100 0.127 0.000 0.789 355 P CB 0.461 32.213 31.700 0.087 0.000 0.933 356 V N 5.095 125.113 119.914 0.173 0.000 2.488 356 V HA 0.191 -6.679 4.120 -18.317 0.000 0.277 356 V C -1.914 174.255 176.094 0.126 0.000 1.046 356 V CA -1.499 60.897 62.300 0.159 0.000 0.986 356 V CB 0.179 32.137 31.823 0.224 0.000 0.989 356 V HN 0.559 nan 8.190 nan 0.000 0.475 357 P HA 0.103 nan 4.420 nan 0.000 0.268 357 P C 0.507 177.838 177.300 0.052 0.000 1.204 357 P CA -0.118 63.017 63.100 0.059 0.000 0.768 357 P CB 0.625 32.350 31.700 0.042 0.000 0.842 358 D N 2.507 122.932 120.400 0.041 0.000 2.221 358 D HA -0.209 -6.559 4.640 -18.317 0.000 0.204 358 D C 1.500 177.793 176.300 -0.011 0.000 0.982 358 D CA 1.077 55.091 54.000 0.024 0.000 0.857 358 D CB -0.017 40.794 40.800 0.020 0.000 0.934 358 D HN 0.511 nan 8.370 nan 0.000 0.475 359 E N 0.351 120.548 120.200 -0.004 0.000 2.409 359 E HA -0.177 -6.817 4.350 -18.317 0.000 0.198 359 E C 1.339 177.922 176.600 -0.028 0.000 1.024 359 E CA 0.586 56.977 56.400 -0.015 0.000 0.861 359 E CB -0.251 29.448 29.700 -0.002 0.000 0.788 359 E HN 0.345 nan 8.360 nan 0.000 0.521 360 R N 0.698 121.182 120.500 -0.027 0.000 2.334 360 R HA 0.215 -6.435 4.340 -18.317 0.000 0.216 360 R C 0.105 176.311 176.300 -0.157 0.000 0.905 360 R CA -0.039 56.043 56.100 -0.030 0.000 1.064 360 R CB 0.884 31.207 30.300 0.038 0.000 1.046 360 R HN -0.032 nan 8.270 nan 0.000 0.508 361 V N 4.222 123.983 119.914 -0.255 0.000 2.432 361 V HA 0.165 -6.705 4.120 -18.317 0.000 0.271 361 V C -1.992 173.845 176.094 -0.428 0.000 1.046 361 V CA -1.725 60.231 62.300 -0.573 0.000 0.945 361 V CB 1.000 32.610 31.823 -0.355 0.000 0.992 361 V HN 0.025 nan 8.190 nan 0.000 0.471 362 P HA 0.266 nan 4.420 nan 0.000 0.274 362 P C -0.619 176.551 177.300 -0.216 0.000 1.231 362 P CA -0.497 62.436 63.100 -0.279 0.000 0.790 362 P CB 0.602 32.160 31.700 -0.237 0.000 0.951 363 K N 2.860 123.186 120.400 -0.124 0.000 2.211 363 K HA 0.355 -6.315 4.320 -18.317 0.000 0.275 363 K C -2.114 174.447 176.600 -0.065 0.000 1.024 363 K CA -1.579 54.660 56.287 -0.080 0.000 0.887 363 K CB 0.767 33.248 32.500 -0.032 0.000 1.084 363 K HN 0.436 nan 8.250 nan 0.000 0.463 364 P HA 0.155 nan 4.420 nan 0.000 0.275 364 P C -0.368 176.800 177.300 -0.221 0.000 1.228 364 P CA -0.488 62.525 63.100 -0.146 0.000 0.786 364 P CB 0.802 32.361 31.700 -0.235 0.000 0.927 365 R N 3.284 123.696 120.500 -0.147 0.000 2.484 365 R HA 0.148 -6.502 4.340 -18.317 0.000 0.293 365 R C -2.028 174.202 176.300 -0.116 0.000 1.023 365 R CA -1.169 54.864 56.100 -0.113 0.000 1.037 365 R CB -0.489 29.807 30.300 -0.006 0.000 0.951 365 R HN 0.337 nan 8.270 nan 0.000 0.418 366 P HA 0.030 nan 4.420 nan 0.000 0.266 366 P C 0.286 177.674 177.300 0.147 0.000 1.195 366 P CA 0.880 63.970 63.100 -0.016 0.000 0.768 366 P CB 0.844 32.555 31.700 0.018 0.000 0.838 367 G N 0.621 109.499 108.800 0.130 0.000 2.232 367 G HA2 -0.228 -7.258 3.960 -18.317 0.000 0.226 367 G HA3 -0.228 -7.258 3.960 -18.317 0.000 0.226 367 G C 0.259 175.268 174.900 0.182 0.000 0.996 367 G CA -0.226 44.975 45.100 0.168 0.000 0.626 367 G HN 0.674 nan 8.290 nan 0.000 0.509 368 C N 1.841 121.223 119.300 0.137 0.000 2.539 368 C HA 0.571 -5.959 4.460 -18.317 0.000 0.392 368 C C 1.553 176.666 174.990 0.205 0.000 1.269 368 C CA -0.302 58.817 59.018 0.169 0.000 2.250 368 C CB 0.130 27.933 27.740 0.106 0.000 2.584 368 C HN 0.643 nan 8.230 nan 0.000 0.589 369 c N 3.660 122.375 118.600 0.192 0.000 2.499 369 c HA 0.501 -5.919 4.570 -18.317 0.000 0.386 369 c C 1.107 175.335 174.090 0.231 0.000 1.293 369 c CA -0.809 55.624 56.329 0.174 0.000 1.884 369 c CB -1.210 41.293 42.510 -0.012 0.000 2.509 369 c HN 1.036 nan 8.230 nan 0.000 0.566 370 A N 2.963 125.993 122.820 0.351 0.000 2.587 370 A HA 0.414 -6.256 4.320 -18.317 0.000 0.235 370 A C 1.403 179.095 177.584 0.181 0.000 1.044 370 A CA 0.924 53.161 52.037 0.334 0.000 0.754 370 A CB -0.535 18.577 19.000 0.187 0.000 0.968 370 A HN 2.368 nan 8.150 nan 0.000 0.509 371 G N 0.843 109.753 108.800 0.184 0.000 2.144 371 G HA2 0.019 -7.011 3.960 -18.317 0.000 0.218 371 G HA3 0.019 -7.011 3.960 -18.317 0.000 0.218 371 G C 0.251 175.203 174.900 0.087 0.000 0.988 371 G CA 0.718 45.883 45.100 0.108 0.000 0.659 371 G HN 2.297 nan 8.290 nan 0.000 0.522 372 S N -0.796 114.970 115.700 0.110 0.000 2.634 372 S HA 0.782 -5.738 4.470 -18.317 0.000 0.296 372 S C 0.267 174.923 174.600 0.094 0.000 1.104 372 S CA 0.303 58.555 58.200 0.086 0.000 0.920 372 S CB 1.781 65.031 63.200 0.082 0.000 1.111 372 S HN 1.277 nan 8.310 nan 0.000 0.493 373 S N 2.431 118.176 115.700 0.074 0.000 3.566 373 S HA 0.040 -6.480 4.470 -18.317 0.000 0.426 373 S C 1.276 175.921 174.600 0.076 0.000 1.154 373 S CA 0.836 59.076 58.200 0.067 0.000 0.946 373 S CB -0.907 62.329 63.200 0.060 0.000 0.666 373 S HN 2.174 nan 8.310 nan 0.000 0.494 374 S N 1.047 116.788 115.700 0.069 0.000 2.868 374 S HA -0.241 -6.761 4.470 -18.317 0.000 0.270 374 S C 0.269 174.943 174.600 0.123 0.000 1.300 374 S CA 1.402 59.647 58.200 0.074 0.000 1.362 374 S CB -1.450 61.785 63.200 0.059 0.000 1.685 374 S HN 0.578 nan 8.310 nan 0.000 0.682 375 L N 0.872 122.193 121.223 0.163 0.000 3.062 375 L HA 0.530 -6.119 4.340 -18.317 0.000 0.255 375 L C 1.609 178.635 176.870 0.261 0.000 1.274 375 L CA 0.159 55.184 54.840 0.308 0.000 1.047 375 L CB 0.489 42.722 42.059 0.291 0.000 1.402 375 L HN 0.191 nan 8.230 nan 0.000 0.550 376 E N 0.576 120.852 120.200 0.126 0.000 2.204 376 E HA -0.193 -6.833 4.350 -18.317 0.000 0.194 376 E C 1.966 178.582 176.600 0.026 0.000 0.989 376 E CA 0.835 57.280 56.400 0.074 0.000 0.824 376 E CB 0.095 29.818 29.700 0.038 0.000 0.756 376 E HN 0.454 nan 8.360 nan 0.000 0.477 377 K N -0.391 119.968 120.400 -0.069 0.000 2.439 377 K HA -0.076 -6.745 4.320 -18.317 0.000 0.197 377 K C -0.415 176.002 176.600 -0.304 0.000 1.041 377 K CA 0.516 56.667 56.287 -0.228 0.000 0.970 377 K CB 0.028 32.315 32.500 -0.356 0.000 0.773 377 K HN 0.055 nan 8.250 nan 0.000 0.479 378 Y N 0.756 121.128 120.300 0.121 0.000 2.385 378 Y HA 0.374 -6.065 4.550 -18.316 0.000 0.341 378 Y C 1.216 177.159 175.900 0.071 0.000 0.965 378 Y CA -0.719 57.466 58.100 0.141 0.000 1.180 378 Y CB 1.626 40.291 38.460 0.342 0.000 1.139 378 Y HN 0.015 nan 8.280 nan 0.000 0.502 379 A N 2.367 125.265 122.820 0.130 0.000 1.929 379 A HA 0.028 -6.642 4.320 -18.317 0.000 0.216 379 A C 1.143 178.743 177.584 0.027 0.000 1.176 379 A CA 1.762 53.834 52.037 0.059 0.000 0.628 379 A CB -0.339 18.675 19.000 0.025 0.000 0.816 379 A HN 0.687 nan 8.150 nan 0.000 0.444 380 T N -5.060 109.485 114.554 -0.016 0.000 2.812 380 T HA 0.435 -6.204 4.350 -18.317 0.000 0.294 380 T C 0.777 175.224 174.700 -0.422 0.000 1.159 380 T CA 0.242 62.256 62.100 -0.145 0.000 1.008 380 T CB 1.196 69.991 68.868 -0.121 0.000 1.289 380 T HN 0.376 nan 8.240 nan 0.000 0.514 381 S N 0.696 116.010 115.700 -0.644 0.000 2.447 381 S HA -0.110 -6.630 4.470 -18.317 0.000 0.233 381 S C 1.592 175.787 174.600 -0.676 0.000 1.006 381 S CA 0.627 58.065 58.200 -1.270 0.000 0.957 381 S CB -0.834 61.947 63.200 -0.699 0.000 0.773 381 S HN 0.691 nan 8.310 nan 0.000 0.507 382 N N 2.217 120.724 118.700 -0.321 0.000 2.258 382 N HA -0.120 -6.370 4.740 -18.317 0.000 0.187 382 N C 1.316 176.779 175.510 -0.079 0.000 1.012 382 N CA 1.424 54.386 53.050 -0.147 0.000 0.870 382 N CB -0.327 38.103 38.487 -0.096 0.000 0.977 382 N HN 0.700 nan 8.380 nan 0.000 0.434 383 E N -0.791 119.356 120.200 -0.088 0.000 2.479 383 E HA 0.090 -6.550 4.350 -18.317 0.000 0.193 383 E C -0.119 176.639 176.600 0.264 0.000 1.049 383 E CA -0.332 56.136 56.400 0.113 0.000 0.870 383 E CB 0.150 29.971 29.700 0.201 0.000 0.944 383 E HN 0.313 nan 8.360 nan 0.000 0.492 384 F N 3.035 122.973 119.950 -0.020 0.000 2.553 384 F HA 0.053 -6.410 4.527 -18.318 0.000 0.356 384 F C -1.417 174.355 175.800 -0.047 0.000 1.142 384 F CA -2.206 55.673 58.000 -0.201 0.000 1.322 384 F CB 0.217 39.098 39.000 -0.197 0.000 1.126 384 F HN -0.060 nan 8.300 nan 0.000 0.599 385 P HA 0.040 nan 4.420 nan 0.000 0.274 385 P C -0.357 177.004 177.300 0.101 0.000 1.256 385 P CA -0.221 62.953 63.100 0.122 0.000 0.795 385 P CB 0.886 32.643 31.700 0.095 0.000 1.038 386 D N 0.140 120.594 120.400 0.091 0.000 2.097 386 D HA -0.151 -6.501 4.640 -18.317 0.000 0.195 386 D C 1.256 177.608 176.300 0.086 0.000 0.989 386 D CA 1.574 55.626 54.000 0.087 0.000 0.827 386 D CB -0.572 40.272 40.800 0.073 0.000 0.966 386 D HN 0.385 nan 8.370 nan 0.000 0.456 387 D N -0.504 119.936 120.400 0.066 0.000 2.144 387 D HA -0.091 -6.441 4.640 -18.317 0.000 0.199 387 D C 1.933 178.274 176.300 0.068 0.000 0.984 387 D CA 1.064 55.103 54.000 0.065 0.000 0.834 387 D CB -0.508 40.313 40.800 0.034 0.000 0.955 387 D HN 0.161 nan 8.370 nan 0.000 0.465 388 T N 0.557 115.121 114.554 0.018 0.000 2.770 388 T HA 0.011 -6.629 4.350 -18.317 0.000 0.263 388 T C 2.131 176.881 174.700 0.083 0.000 1.039 388 T CA 0.485 62.568 62.100 -0.029 0.000 1.142 388 T CB -0.180 68.579 68.868 -0.181 0.000 0.868 388 T HN 0.106 nan 8.240 nan 0.000 0.435 389 L N 1.078 122.375 121.223 0.124 0.000 2.056 389 L HA -0.051 -6.701 4.340 -18.317 0.000 0.207 389 L C 2.571 179.560 176.870 0.199 0.000 1.078 389 L CA 0.871 55.824 54.840 0.188 0.000 0.749 389 L CB -0.563 41.609 42.059 0.189 0.000 0.901 389 L HN 0.190 nan 8.230 nan 0.000 0.433 390 N N -0.060 118.742 118.700 0.171 0.000 2.223 390 N HA -0.195 -6.445 4.740 -18.317 0.000 0.185 390 N C 1.716 177.341 175.510 0.192 0.000 1.016 390 N CA 1.198 54.347 53.050 0.165 0.000 0.863 390 N CB -0.228 38.337 38.487 0.131 0.000 0.983 390 N HN 0.217 nan 8.380 nan 0.000 0.429 391 F N 1.201 121.193 119.950 0.071 0.000 2.146 391 F HA 0.031 -6.432 4.527 -18.316 0.000 0.298 391 F C 2.180 178.040 175.800 0.099 0.000 1.096 391 F CA 0.867 58.907 58.000 0.068 0.000 1.275 391 F CB -0.121 38.810 39.000 -0.116 0.000 1.008 391 F HN -0.061 nan 8.300 nan 0.000 0.480 392 I N -0.101 120.612 120.570 0.238 0.000 2.761 392 I HA -0.194 -7.014 4.170 -18.317 0.000 0.261 392 I C 2.298 178.524 176.117 0.182 0.000 1.198 392 I CA 0.810 62.212 61.300 0.170 0.000 1.482 392 I CB -0.346 37.774 38.000 0.200 0.000 1.100 392 I HN 0.139 nan 8.210 nan 0.000 0.445 393 K N 0.271 120.847 120.400 0.293 0.000 2.057 393 K HA -0.172 -6.842 4.320 -18.317 0.000 0.206 393 K C 1.908 178.741 176.600 0.387 0.000 1.050 393 K CA 2.039 58.631 56.287 0.507 0.000 0.935 393 K CB -0.056 32.665 32.500 0.368 0.000 0.715 393 K HN 0.413 nan 8.250 nan 0.000 0.439 394 T N -2.396 112.214 114.554 0.093 0.000 3.054 394 T HA -0.010 -6.650 4.350 -18.317 0.000 0.259 394 T C 0.265 174.724 174.700 -0.401 0.000 1.092 394 T CA 0.440 62.458 62.100 -0.137 0.000 1.121 394 T CB -0.202 68.499 68.868 -0.277 0.000 0.912 394 T HN 0.236 nan 8.240 nan 0.000 0.489 395 H N 1.759 120.691 119.070 -0.229 0.000 2.340 395 H HA 0.376 -6.058 4.556 -18.317 0.000 0.233 395 H C -2.213 173.095 175.328 -0.033 0.000 1.435 395 H CA -1.940 53.983 56.048 -0.208 0.000 1.389 395 H CB 1.135 30.515 29.762 -0.636 0.000 1.491 395 H HN 0.235 nan 8.280 nan 0.000 0.518 396 P HA -0.024 nan 4.420 nan 0.000 0.240 396 P C -0.093 177.223 177.300 0.026 0.000 1.190 396 P CA 0.075 63.125 63.100 -0.083 0.000 0.781 396 P CB 0.663 32.135 31.700 -0.379 0.000 0.931 397 L N 0.496 121.811 121.223 0.153 0.000 2.282 397 L HA 0.392 -6.257 4.340 -18.317 0.000 0.288 397 L C -0.078 176.913 176.870 0.202 0.000 1.033 397 L CA -0.690 54.229 54.840 0.132 0.000 0.807 397 L CB 0.374 42.480 42.059 0.079 0.000 1.209 397 L HN -0.243 nan 8.230 nan 0.000 0.423 398 M N 2.880 122.530 119.600 0.084 0.000 2.242 398 M HA 0.130 -6.380 4.480 -18.317 0.000 0.344 398 M C 0.907 177.205 176.300 -0.004 0.000 1.140 398 M CA -0.019 55.268 55.300 -0.021 0.000 1.160 398 M CB 0.441 32.943 32.600 -0.163 0.000 1.491 398 M HN 0.682 nan 8.290 nan 0.000 0.459 399 D N 1.419 121.818 120.400 -0.002 0.000 2.117 399 D HA -0.063 -6.412 4.640 -18.317 0.000 0.198 399 D C 0.111 176.390 176.300 -0.035 0.000 0.982 399 D CA 1.278 55.295 54.000 0.028 0.000 0.828 399 D CB 0.446 41.278 40.800 0.053 0.000 0.967 399 D HN 0.653 nan 8.370 nan 0.000 0.464 400 E N -0.534 119.610 120.200 -0.094 0.000 2.374 400 E HA 0.465 -6.175 4.350 -18.317 0.000 0.260 400 E C -0.785 175.723 176.600 -0.153 0.000 1.101 400 E CA -0.558 55.773 56.400 -0.115 0.000 0.907 400 E CB 1.316 30.932 29.700 -0.140 0.000 1.014 400 E HN 0.217 nan 8.360 nan 0.000 0.427 401 A N 1.762 124.497 122.820 -0.142 0.000 2.324 401 A HA 0.382 -6.288 4.320 -18.317 0.000 0.330 401 A C -0.608 176.886 177.584 -0.149 0.000 1.165 401 A CA -0.743 51.194 52.037 -0.166 0.000 0.813 401 A CB 0.983 19.885 19.000 -0.163 0.000 1.197 401 A HN 0.394 nan 8.150 nan 0.000 0.484 402 V N 4.590 124.404 119.914 -0.166 0.000 2.450 402 V HA 0.177 -6.693 4.120 -18.317 0.000 0.281 402 V C -1.764 174.349 176.094 0.032 0.000 1.019 402 V CA -0.709 61.527 62.300 -0.107 0.000 1.062 402 V CB 0.089 31.821 31.823 -0.151 0.000 0.979 402 V HN 0.807 nan 8.190 nan 0.000 0.477 403 P HA 0.202 nan 4.420 nan 0.000 0.274 403 P C -0.195 177.127 177.300 0.037 0.000 1.231 403 P CA -0.203 62.906 63.100 0.015 0.000 0.790 403 P CB 1.065 32.746 31.700 -0.031 0.000 0.951 404 S N 1.579 117.206 115.700 -0.121 0.000 2.672 404 S HA 0.452 -6.068 4.470 -18.317 0.000 0.276 404 S C 0.408 174.864 174.600 -0.240 0.000 1.207 404 S CA -0.863 57.059 58.200 -0.463 0.000 1.002 404 S CB 0.158 62.951 63.200 -0.679 0.000 0.998 404 S HN 0.299 nan 8.310 nan 0.000 0.542 405 I N 2.144 122.569 120.570 -0.241 0.000 2.452 405 I HA 0.126 -6.694 4.170 -18.317 0.000 0.287 405 I C 0.243 176.462 176.117 0.170 0.000 1.079 405 I CA -0.016 61.294 61.300 0.016 0.000 1.387 405 I CB -0.097 37.980 38.000 0.129 0.000 1.404 405 I HN 0.577 nan 8.210 nan 0.000 0.522 406 I N 4.204 124.839 120.570 0.108 0.000 5.447 406 I HA -0.318 -7.138 4.170 -18.317 0.000 0.154 406 I C 0.780 176.919 176.117 0.036 0.000 1.813 406 I CA 0.298 61.654 61.300 0.094 0.000 2.037 406 I CB -2.249 35.845 38.000 0.156 0.000 3.343 406 I HN 0.904 nan 8.210 nan 0.000 0.169 407 N N 1.702 120.398 118.700 -0.007 0.000 2.708 407 N HA -0.234 -6.484 4.740 -18.317 0.000 0.249 407 N C 0.421 175.901 175.510 -0.050 0.000 1.097 407 N CA 1.791 54.812 53.050 -0.048 0.000 0.710 407 N CB -0.556 37.906 38.487 -0.042 0.000 1.032 407 N HN 0.888 nan 8.380 nan 0.000 0.551 408 R N -3.130 117.351 120.500 -0.032 0.000 2.728 408 R HA 0.504 -6.145 4.340 -18.317 0.000 0.274 408 R C -3.526 172.775 176.300 0.001 0.000 1.032 408 R CA -1.296 54.787 56.100 -0.028 0.000 0.866 408 R CB 0.822 31.113 30.300 -0.016 0.000 1.263 408 R HN -0.288 nan 8.270 nan 0.000 0.475 409 P HA 0.086 nan 4.420 nan 0.000 0.272 409 P C -0.258 177.146 177.300 0.175 0.000 1.223 409 P CA -0.450 62.628 63.100 -0.037 0.000 0.784 409 P CB 0.249 31.860 31.700 -0.148 0.000 0.923 410 W N 1.328 122.583 121.300 -0.076 0.000 2.905 410 W HA 0.299 -6.026 4.660 -18.309 0.000 0.251 410 W C 0.280 176.762 176.519 -0.062 0.000 1.305 410 W CA 0.547 57.888 57.345 -0.007 0.000 1.465 410 W CB -0.675 28.859 29.460 0.124 0.000 1.122 410 W HN 0.206 nan 8.180 nan 0.000 0.659 411 F N -0.372 119.476 119.950 -0.169 0.000 2.665 411 F HA 0.533 -5.932 4.527 -18.319 0.000 0.308 411 F C -1.435 174.155 175.800 -0.350 0.000 1.112 411 F CA -1.238 56.476 58.000 -0.476 0.000 0.972 411 F CB 0.897 39.270 39.000 -1.045 0.000 1.295 411 F HN -0.450 nan 8.300 nan 0.000 0.440 412 L N 4.362 125.081 121.223 -0.839 0.000 2.422 412 L HA 0.658 -5.992 4.340 -18.317 0.000 0.264 412 L C -1.253 175.322 176.870 -0.493 0.000 0.984 412 L CA -0.921 53.636 54.840 -0.472 0.000 0.819 412 L CB 2.497 44.376 42.059 -0.301 0.000 1.330 412 L HN 0.519 nan 8.230 nan 0.000 0.410 413 R N 0.191 120.605 120.500 -0.144 0.000 2.502 413 R HA 0.489 -6.161 4.340 -18.317 0.000 0.298 413 R C 0.079 176.413 176.300 0.056 0.000 1.018 413 R CA -0.033 56.046 56.100 -0.035 0.000 0.899 413 R CB 1.583 31.925 30.300 0.071 0.000 1.181 413 R HN 0.790 nan 8.270 nan 0.000 0.444 414 T N 0.662 115.250 114.554 0.055 0.000 3.587 414 T HA 0.149 -6.491 4.350 -18.317 0.000 0.221 414 T C 0.993 175.695 174.700 0.003 0.000 0.921 414 T CA -0.206 61.948 62.100 0.090 0.000 1.426 414 T CB -0.095 68.866 68.868 0.156 0.000 1.340 414 T HN 0.502 nan 8.240 nan 0.000 0.423 415 M N 3.419 123.012 119.600 -0.013 0.000 3.237 415 M HA 0.600 -5.910 4.480 -18.317 0.000 0.266 415 M C -0.674 175.585 176.300 -0.068 0.000 1.456 415 M CA -0.775 54.500 55.300 -0.041 0.000 1.593 415 M CB -0.533 32.048 32.600 -0.032 0.000 1.129 415 M HN 0.322 nan 8.290 nan 0.000 0.547 416 V N 0.564 120.389 119.914 -0.148 0.000 3.040 416 V HA 0.587 -6.283 4.120 -18.317 0.000 0.312 416 V C -0.043 175.909 176.094 -0.238 0.000 1.115 416 V CA -1.124 61.024 62.300 -0.255 0.000 0.998 416 V CB 2.279 33.720 31.823 -0.637 0.000 1.042 416 V HN 0.752 nan 8.190 nan 0.000 0.433 417 R N 2.181 122.617 120.500 -0.106 0.000 4.141 417 R HA 0.479 -6.171 4.340 -18.317 0.000 0.281 417 R C -1.186 175.202 176.300 0.148 0.000 1.608 417 R CA -0.092 56.017 56.100 0.015 0.000 1.426 417 R CB -0.165 30.171 30.300 0.061 0.000 1.432 417 R HN 0.858 nan 8.270 nan 0.000 0.708 418 Y N -3.374 116.978 120.300 0.087 0.000 2.604 418 Y HA 0.492 -5.952 4.550 -18.322 0.000 0.331 418 Y C -1.253 174.716 175.900 0.114 0.000 1.158 418 Y CA -1.605 56.554 58.100 0.099 0.000 1.056 418 Y CB 1.058 39.583 38.460 0.107 0.000 1.330 418 Y HN -0.158 nan 8.280 nan 0.000 0.457 419 R N 2.076 122.767 120.500 0.318 0.000 2.637 419 R HA 0.622 -6.027 4.340 -18.317 0.000 0.291 419 R C -1.161 175.315 176.300 0.293 0.000 0.963 419 R CA -1.060 55.187 56.100 0.245 0.000 0.901 419 R CB 1.973 32.382 30.300 0.180 0.000 1.160 419 R HN 0.754 nan 8.270 nan 0.000 0.457 420 L N 3.104 124.482 121.223 0.258 0.000 2.477 420 L HA 0.075 -6.575 4.340 -18.317 0.000 0.272 420 L C 1.340 178.294 176.870 0.140 0.000 1.157 420 L CA 0.198 55.166 54.840 0.213 0.000 0.889 420 L CB 0.611 42.785 42.059 0.191 0.000 1.158 420 L HN 0.921 nan 8.230 nan 0.000 0.473 421 T N 0.407 115.030 114.554 0.114 0.000 3.166 421 T HA 0.232 -6.407 4.350 -18.317 0.000 0.182 421 T C 0.651 175.382 174.700 0.051 0.000 0.810 421 T CA -0.604 61.542 62.100 0.076 0.000 1.441 421 T CB 0.233 69.146 68.868 0.074 0.000 2.201 421 T HN 0.163 nan 8.240 nan 0.000 0.414 422 K N 1.547 121.973 120.400 0.043 0.000 2.276 422 K HA 0.494 -6.176 4.320 -18.317 0.000 0.259 422 K C -0.406 176.216 176.600 0.037 0.000 1.001 422 K CA -0.274 56.031 56.287 0.030 0.000 0.927 422 K CB 0.503 33.012 32.500 0.015 0.000 0.969 422 K HN 0.649 nan 8.250 nan 0.000 0.490 423 I N -0.129 120.457 120.570 0.027 0.000 2.548 423 I HA 0.374 -6.446 4.170 -18.317 0.000 0.287 423 I C -1.505 174.633 176.117 0.035 0.000 1.103 423 I CA -0.457 60.865 61.300 0.037 0.000 1.049 423 I CB 1.553 39.563 38.000 0.017 0.000 1.232 423 I HN 0.625 nan 8.210 nan 0.000 0.429 424 A N 7.150 130.013 122.820 0.073 0.000 2.343 424 A HA 0.826 -5.844 4.320 -18.317 0.000 0.316 424 A C -1.410 176.251 177.584 0.128 0.000 1.104 424 A CA -0.494 51.581 52.037 0.064 0.000 0.768 424 A CB 1.749 20.755 19.000 0.010 0.000 1.213 424 A HN 0.458 nan 8.150 nan 0.000 0.456 425 V N 1.684 121.650 119.914 0.086 0.000 2.667 425 V HA 0.540 -6.329 4.120 -18.317 0.000 0.308 425 V C -0.897 175.270 176.094 0.122 0.000 1.048 425 V CA -0.529 61.830 62.300 0.098 0.000 0.928 425 V CB 2.046 33.891 31.823 0.035 0.000 1.004 425 V HN 0.930 nan 8.190 nan 0.000 0.444 426 D N 2.389 122.887 120.400 0.163 0.000 2.505 426 D HA 0.258 -6.092 4.640 -18.317 0.000 0.250 426 D C 0.237 176.595 176.300 0.097 0.000 1.164 426 D CA -0.502 53.588 54.000 0.150 0.000 0.870 426 D CB 1.146 42.101 40.800 0.258 0.000 1.160 426 D HN 0.575 nan 8.370 nan 0.000 0.549 427 N N 2.523 121.264 118.700 0.068 0.000 2.268 427 N HA 0.130 -6.120 4.740 -18.317 0.000 0.204 427 N C -0.076 175.457 175.510 0.038 0.000 1.124 427 N CA -0.350 52.728 53.050 0.048 0.000 0.838 427 N CB 0.647 39.161 38.487 0.045 0.000 0.994 427 N HN 0.203 nan 8.380 nan 0.000 0.489 428 A N -0.340 122.509 122.820 0.049 0.000 2.812 428 A HA 0.721 -5.949 4.320 -18.317 0.000 0.294 428 A C 0.216 177.824 177.584 0.040 0.000 1.014 428 A CA -0.505 51.554 52.037 0.037 0.000 1.024 428 A CB -0.330 18.695 19.000 0.042 0.000 1.162 428 A HN 0.370 nan 8.150 nan 0.000 0.511 429 A N 0.239 123.073 122.820 0.023 0.000 2.363 429 A HA 0.729 -5.940 4.320 -18.317 0.000 0.270 429 A C 0.914 178.454 177.584 -0.073 0.000 1.121 429 A CA 0.531 52.523 52.037 -0.075 0.000 0.800 429 A CB -0.115 18.761 19.000 -0.207 0.000 1.052 429 A HN 2.298 nan 8.150 nan 0.000 0.493 430 G N 2.571 111.287 108.800 -0.141 0.000 2.592 430 G HA2 0.002 -7.028 3.960 -18.317 0.000 0.684 430 G HA3 0.002 -7.028 3.960 -18.317 0.000 0.684 430 G C -1.959 172.914 174.900 -0.045 0.000 1.291 430 G CA -0.203 44.865 45.100 -0.054 0.000 0.891 430 G HN 0.506 nan 8.290 nan 0.000 0.544 431 P HA 0.052 nan 4.420 nan 0.000 0.219 431 P C 0.863 177.893 177.300 -0.450 0.000 1.150 431 P CA 1.416 64.326 63.100 -0.316 0.000 0.814 431 P CB -0.041 31.372 31.700 -0.480 0.000 0.787 432 Y N -0.772 119.521 120.300 -0.012 0.000 2.571 432 Y HA 0.227 -6.213 4.550 -18.317 0.000 0.275 432 Y C 0.592 176.454 175.900 -0.062 0.000 1.179 432 Y CA -0.445 57.631 58.100 -0.039 0.000 1.242 432 Y CB -1.129 37.297 38.460 -0.057 0.000 1.126 432 Y HN -0.070 nan 8.280 nan 0.000 0.524 433 Q N 1.521 121.338 119.800 0.027 0.000 2.411 433 Q HA -0.280 -6.930 4.340 -18.317 0.000 0.305 433 Q C 0.096 176.086 176.000 -0.018 0.000 1.273 433 Q CA 0.877 56.685 55.803 0.009 0.000 0.895 433 Q CB -1.270 27.479 28.738 0.018 0.000 1.198 433 Q HN 0.703 nan 8.270 nan 0.000 0.470 434 N N -1.686 116.959 118.700 -0.090 0.000 2.143 434 N HA 0.016 -6.234 4.740 -18.317 0.000 0.229 434 N C -0.596 174.753 175.510 -0.269 0.000 1.294 434 N CA -0.154 52.797 53.050 -0.165 0.000 0.883 434 N CB 0.535 38.916 38.487 -0.176 0.000 1.148 434 N HN 0.195 nan 8.380 nan 0.000 0.511 435 H N 0.593 119.638 119.070 -0.041 0.000 2.472 435 H HA 0.405 -6.029 4.556 -18.317 0.000 0.335 435 H C -0.204 175.083 175.328 -0.068 0.000 1.136 435 H CA 0.033 56.039 56.048 -0.070 0.000 1.264 435 H CB 1.595 31.285 29.762 -0.119 0.000 1.486 435 H HN -0.066 nan 8.280 nan 0.000 0.517 436 T N 3.067 117.660 114.554 0.065 0.000 3.029 436 T HA 0.236 -6.404 4.350 -18.317 0.000 0.346 436 T C 0.218 174.861 174.700 -0.095 0.000 1.211 436 T CA -0.562 61.539 62.100 0.002 0.000 1.009 436 T CB -0.136 68.742 68.868 0.017 0.000 1.084 436 T HN 0.170 nan 8.240 nan 0.000 0.536 437 V N 4.268 124.127 119.914 -0.093 0.000 2.383 437 V HA 0.326 -6.544 4.120 -18.317 0.000 0.275 437 V C 0.229 176.169 176.094 -0.255 0.000 1.036 437 V CA -0.707 61.462 62.300 -0.219 0.000 0.889 437 V CB 1.343 33.105 31.823 -0.101 0.000 0.985 437 V HN 0.598 nan 8.190 nan 0.000 0.459 438 V N 6.006 125.545 119.914 -0.625 0.000 2.370 438 V HA 0.452 -6.418 4.120 -18.317 0.000 0.279 438 V C -0.403 175.428 176.094 -0.439 0.000 1.029 438 V CA -0.435 61.552 62.300 -0.522 0.000 0.870 438 V CB 1.078 32.382 31.823 -0.864 0.000 0.984 438 V HN 0.640 nan 8.190 nan 0.000 0.451 439 F N 5.459 125.326 119.950 -0.137 0.000 2.405 439 F HA 0.619 -5.846 4.527 -18.320 0.000 0.355 439 F C 0.061 175.842 175.800 -0.032 0.000 1.121 439 F CA -0.434 57.530 58.000 -0.060 0.000 1.112 439 F CB 1.214 40.191 39.000 -0.038 0.000 1.126 439 F HN 0.230 nan 8.300 nan 0.000 0.481 440 L N 3.491 124.788 121.223 0.123 0.000 2.333 440 L HA 0.687 -5.963 4.340 -18.317 0.000 0.280 440 L C 0.455 177.388 176.870 0.105 0.000 1.004 440 L CA -0.684 54.214 54.840 0.096 0.000 0.820 440 L CB 1.647 43.741 42.059 0.057 0.000 1.247 440 L HN 0.707 nan 8.230 nan 0.000 0.416 441 G N 1.124 109.975 108.800 0.085 0.000 2.531 441 G HA2 0.740 -6.290 3.960 -18.317 0.000 0.313 441 G HA3 0.740 -6.290 3.960 -18.317 0.000 0.313 441 G C -0.573 174.372 174.900 0.075 0.000 1.238 441 G CA -0.176 44.960 45.100 0.059 0.000 0.994 441 G HN 0.649 nan 8.290 nan 0.000 0.493 442 S N -2.048 113.685 115.700 0.054 0.000 2.656 442 S HA 0.381 -6.139 4.470 -18.317 0.000 0.273 442 S C 0.586 175.238 174.600 0.088 0.000 1.168 442 S CA -0.009 58.248 58.200 0.096 0.000 0.817 442 S CB 1.879 65.119 63.200 0.066 0.000 1.146 442 S HN 0.749 nan 8.310 nan 0.000 0.475 443 E N 0.438 120.713 120.200 0.125 0.000 2.427 443 E HA 0.005 -6.635 4.350 -18.317 0.000 0.196 443 E C 0.258 176.922 176.600 0.106 0.000 1.028 443 E CA 0.551 57.018 56.400 0.111 0.000 0.864 443 E CB -0.102 29.668 29.700 0.116 0.000 0.813 443 E HN 0.514 nan 8.360 nan 0.000 0.514 444 K N 0.224 120.680 120.400 0.094 0.000 2.399 444 K HA 0.170 -6.500 4.320 -18.317 0.000 0.204 444 K C 0.779 177.417 176.600 0.062 0.000 1.023 444 K CA 0.384 56.705 56.287 0.056 0.000 1.127 444 K CB 0.789 33.330 32.500 0.067 0.000 0.856 444 K HN 0.299 nan 8.250 nan 0.000 0.514 445 G N 1.848 110.762 108.800 0.191 0.000 2.143 445 G HA2 -0.212 -7.242 3.960 -18.317 0.000 0.248 445 G HA3 -0.212 -7.242 3.960 -18.317 0.000 0.248 445 G C 0.068 175.104 174.900 0.227 0.000 0.991 445 G CA -0.205 45.141 45.100 0.410 0.000 0.689 445 G HN 0.181 nan 8.290 nan 0.000 0.522 446 I N 0.869 121.445 120.570 0.010 0.000 2.353 446 I HA 0.493 -6.327 4.170 -18.317 0.000 0.293 446 I C 0.769 176.871 176.117 -0.025 0.000 0.992 446 I CA -1.463 59.779 61.300 -0.097 0.000 1.268 446 I CB 1.285 38.988 38.000 -0.496 0.000 1.387 446 I HN 0.018 nan 8.210 nan 0.000 0.478 447 I N 6.636 127.242 120.570 0.060 0.000 2.362 447 I HA 0.349 -6.471 4.170 -18.317 0.000 0.289 447 I C -0.237 175.964 176.117 0.139 0.000 0.994 447 I CA -0.571 60.797 61.300 0.112 0.000 1.158 447 I CB 1.541 39.641 38.000 0.166 0.000 1.315 447 I HN 0.252 nan 8.210 nan 0.000 0.451 448 L N 6.316 127.622 121.223 0.139 0.000 2.343 448 L HA 0.545 -6.105 4.340 -18.317 0.000 0.275 448 L C -0.200 176.678 176.870 0.014 0.000 1.056 448 L CA -0.706 54.227 54.840 0.156 0.000 0.804 448 L CB 1.426 43.552 42.059 0.112 0.000 1.203 448 L HN 0.521 nan 8.230 nan 0.000 0.440 449 K N 2.840 123.236 120.400 -0.007 0.000 2.471 449 K HA 0.592 -6.078 4.320 -18.317 0.000 0.252 449 K C -1.544 175.001 176.600 -0.092 0.000 0.938 449 K CA -0.495 55.626 56.287 -0.275 0.000 0.796 449 K CB 1.625 33.887 32.500 -0.398 0.000 1.161 449 K HN 0.444 nan 8.250 nan 0.000 0.425 450 F N 2.236 121.935 119.950 -0.419 0.000 2.613 450 F HA 0.562 -5.903 4.527 -18.320 0.000 0.310 450 F C -2.123 173.568 175.800 -0.181 0.000 1.085 450 F CA -1.354 56.486 58.000 -0.267 0.000 0.945 450 F CB 1.024 39.766 39.000 -0.431 0.000 1.298 450 F HN 0.329 nan 8.300 nan 0.000 0.455 451 L N 3.179 124.388 121.223 -0.022 0.000 2.275 451 L HA 0.739 -5.911 4.340 -18.317 0.000 0.288 451 L C 0.714 177.615 176.870 0.053 0.000 1.046 451 L CA -0.059 54.724 54.840 -0.094 0.000 0.805 451 L CB 1.685 43.710 42.059 -0.057 0.000 1.193 451 L HN 0.987 nan 8.230 nan 0.000 0.426 452 A N 5.320 128.112 122.820 -0.047 0.000 1.943 452 A HA 0.187 -6.483 4.320 -18.317 0.000 0.213 452 A C 1.096 178.640 177.584 -0.066 0.000 1.181 452 A CA 0.522 52.574 52.037 0.024 0.000 0.653 452 A CB 0.041 19.042 19.000 0.001 0.000 0.833 452 A HN 0.654 nan 8.150 nan 0.000 0.451 453 R N 0.017 120.500 120.500 -0.029 0.000 2.561 453 R HA 0.548 -6.102 4.340 -18.317 0.000 0.297 453 R C -1.533 174.805 176.300 0.064 0.000 0.969 453 R CA -0.664 55.427 56.100 -0.015 0.000 0.879 453 R CB 1.360 31.639 30.300 -0.035 0.000 1.178 453 R HN 0.441 nan 8.270 nan 0.000 0.445 454 I N 1.507 122.111 120.570 0.058 0.000 2.330 454 I HA 0.679 -6.141 4.170 -18.317 0.000 0.289 454 I C 0.561 176.731 176.117 0.089 0.000 1.001 454 I CA -0.130 61.217 61.300 0.078 0.000 1.193 454 I CB 1.489 39.516 38.000 0.045 0.000 1.345 454 I HN 0.800 nan 8.210 nan 0.000 0.461 455 G N 4.601 113.477 108.800 0.127 0.000 2.692 455 G HA2 -0.268 -7.298 3.960 -18.317 0.000 0.248 455 G HA3 -0.268 -7.298 3.960 -18.317 0.000 0.248 455 G C 0.426 175.335 174.900 0.015 0.000 1.340 455 G CA 0.076 45.222 45.100 0.077 0.000 0.896 455 G HN 0.742 nan 8.290 nan 0.000 0.570 456 S N 0.149 115.841 115.700 -0.013 0.000 2.515 456 S HA 0.006 -6.514 4.470 -18.317 0.000 0.231 456 S C 2.655 177.226 174.600 -0.048 0.000 0.987 456 S CA 1.668 59.840 58.200 -0.046 0.000 0.936 456 S CB -0.289 62.877 63.200 -0.057 0.000 0.766 456 S HN 1.591 nan 8.310 nan 0.000 0.528 457 S N 1.320 117.010 115.700 -0.016 0.000 2.356 457 S HA 0.049 -6.471 4.470 -18.317 0.000 0.223 457 S C 1.795 176.299 174.600 -0.160 0.000 1.032 457 S CA 1.512 59.686 58.200 -0.043 0.000 1.005 457 S CB -0.689 62.575 63.200 0.107 0.000 0.867 457 S HN 0.833 nan 8.310 nan 0.000 0.449 458 G N -0.344 108.388 108.800 -0.113 0.000 2.179 458 G HA2 -0.179 -7.209 3.960 -18.317 0.000 0.220 458 G HA3 -0.179 -7.209 3.960 -18.317 0.000 0.220 458 G C -0.086 174.700 174.900 -0.190 0.000 0.990 458 G CA -0.088 44.914 45.100 -0.162 0.000 0.646 458 G HN 0.463 nan 8.290 nan 0.000 0.517 459 F N 0.141 120.034 119.950 -0.095 0.000 2.563 459 F HA 0.513 -5.951 4.527 -18.317 0.000 0.363 459 F C 1.639 177.327 175.800 -0.186 0.000 1.123 459 F CA 0.390 58.318 58.000 -0.120 0.000 1.307 459 F CB 0.867 39.811 39.000 -0.093 0.000 1.115 459 F HN -0.020 nan 8.300 nan 0.000 0.592 460 L N 3.183 124.393 121.223 -0.022 0.000 3.184 460 L HA 0.127 -6.523 4.340 -18.317 0.000 0.283 460 L C 1.027 177.698 176.870 -0.331 0.000 1.218 460 L CA -0.069 54.567 54.840 -0.339 0.000 1.028 460 L CB -0.139 41.518 42.059 -0.669 0.000 1.400 460 L HN 0.562 nan 8.230 nan 0.000 0.591 461 N N 0.073 118.698 118.700 -0.126 0.000 2.336 461 N HA 0.051 -6.199 4.740 -18.317 0.000 0.189 461 N C 0.741 176.179 175.510 -0.120 0.000 1.113 461 N CA 0.404 53.381 53.050 -0.122 0.000 0.858 461 N CB 0.572 39.005 38.487 -0.091 0.000 0.970 461 N HN 0.123 nan 8.380 nan 0.000 0.471 462 G N 0.301 109.039 108.800 -0.103 0.000 4.370 462 G HA2 0.292 -6.738 3.960 -18.317 0.000 0.295 462 G HA3 0.292 -6.738 3.960 -18.317 0.000 0.295 462 G C -0.665 174.225 174.900 -0.015 0.000 1.312 462 G CA -0.523 44.535 45.100 -0.070 0.000 0.845 462 G HN 0.238 nan 8.290 nan 0.000 0.531 463 S N 0.556 116.270 115.700 0.023 0.000 2.576 463 S HA 0.603 -5.917 4.470 -18.317 0.000 0.276 463 S C 0.096 174.803 174.600 0.179 0.000 1.339 463 S CA -0.470 57.822 58.200 0.154 0.000 1.039 463 S CB 1.766 65.157 63.200 0.318 0.000 0.902 463 S HN 0.325 nan 8.310 nan 0.000 0.516 464 L N 2.709 124.072 121.223 0.232 0.000 2.282 464 L HA 0.409 -6.241 4.340 -18.317 0.000 0.288 464 L C -0.328 176.772 176.870 0.382 0.000 1.033 464 L CA -0.802 54.176 54.840 0.229 0.000 0.807 464 L CB 0.860 43.000 42.059 0.136 0.000 1.209 464 L HN 0.682 nan 8.230 nan 0.000 0.423 465 F N 4.327 124.416 119.950 0.232 0.000 2.556 465 F HA 0.150 -6.312 4.527 -18.315 0.000 0.344 465 F C 0.822 176.718 175.800 0.160 0.000 1.255 465 F CA -0.251 57.921 58.000 0.287 0.000 1.091 465 F CB 0.003 39.132 39.000 0.215 0.000 1.325 465 F HN 0.418 nan 8.300 nan 0.000 0.627 466 L N 2.397 123.913 121.223 0.488 0.000 2.095 466 L HA 0.037 -6.613 4.340 -18.317 0.000 0.204 466 L C 0.452 177.442 176.870 0.200 0.000 1.080 466 L CA 1.077 56.060 54.840 0.238 0.000 0.759 466 L CB -0.067 42.057 42.059 0.108 0.000 0.914 466 L HN 0.394 nan 8.230 nan 0.000 0.439 467 E N -0.801 119.585 120.200 0.309 0.000 2.335 467 E HA 0.199 -6.441 4.350 -18.317 0.000 0.280 467 E C -1.214 175.588 176.600 0.337 0.000 0.918 467 E CA -0.335 56.180 56.400 0.192 0.000 0.765 467 E CB 2.445 32.217 29.700 0.121 0.000 1.218 467 E HN -0.003 nan 8.360 nan 0.000 0.425 468 E N 4.753 125.046 120.200 0.155 0.000 2.145 468 E HA 0.502 -6.138 4.350 -18.317 0.000 0.270 468 E C -1.149 175.486 176.600 0.058 0.000 0.906 468 E CA -0.570 55.946 56.400 0.194 0.000 0.761 468 E CB 0.926 30.722 29.700 0.161 0.000 1.116 468 E HN 0.466 nan 8.360 nan 0.000 0.408 469 M N 2.498 122.144 119.600 0.077 0.000 2.378 469 M HA 0.468 -6.042 4.480 -18.317 0.000 0.289 469 M C -1.357 174.978 176.300 0.059 0.000 1.136 469 M CA -1.091 54.231 55.300 0.037 0.000 0.917 469 M CB 1.800 34.451 32.600 0.085 0.000 1.669 469 M HN 0.204 nan 8.290 nan 0.000 0.461 470 N N 2.074 120.803 118.700 0.049 0.000 2.419 470 N HA 0.475 -5.775 4.740 -18.317 0.000 0.264 470 N C 0.164 175.758 175.510 0.141 0.000 1.031 470 N CA -0.556 52.555 53.050 0.102 0.000 0.951 470 N CB 1.561 40.115 38.487 0.112 0.000 1.101 470 N HN 0.696 nan 8.380 nan 0.000 0.488 471 V N 1.535 121.577 119.914 0.214 0.000 3.645 471 V HA 0.314 -6.556 4.120 -18.317 0.000 0.275 471 V C 0.427 176.652 176.094 0.219 0.000 1.356 471 V CA -0.342 62.105 62.300 0.246 0.000 1.051 471 V CB -1.433 30.574 31.823 0.307 0.000 0.828 471 V HN 0.592 nan 8.190 nan 0.000 0.441 472 Y N 3.426 123.754 120.300 0.046 0.000 2.544 472 Y HA 0.347 -6.092 4.550 -18.315 0.000 0.330 472 Y C 0.496 176.284 175.900 -0.187 0.000 1.136 472 Y CA 0.022 57.945 58.100 -0.294 0.000 1.417 472 Y CB 0.400 38.564 38.460 -0.492 0.000 1.229 472 Y HN 0.298 nan 8.280 nan 0.000 0.532 473 N N 8.703 126.875 118.700 -0.881 0.000 2.609 473 N HA 0.239 -6.011 4.740 -18.317 0.000 0.234 473 N C -2.298 172.820 175.510 -0.653 0.000 1.001 473 N CA -2.132 50.592 53.050 -0.544 0.000 0.926 473 N CB 1.491 39.786 38.487 -0.320 0.000 1.130 473 N HN 0.426 nan 8.380 nan 0.000 0.510 474 P HA -0.139 nan 4.420 nan 0.000 0.216 474 P C 0.922 178.175 177.300 -0.079 0.000 1.150 474 P CA 1.088 64.140 63.100 -0.081 0.000 0.843 474 P CB 0.429 32.166 31.700 0.061 0.000 0.787 475 E N -0.467 119.681 120.200 -0.088 0.000 2.274 475 E HA -0.131 -6.771 4.350 -18.317 0.000 0.194 475 E C 1.277 177.851 176.600 -0.043 0.000 0.996 475 E CA 0.884 57.255 56.400 -0.047 0.000 0.840 475 E CB 0.048 29.719 29.700 -0.048 0.000 0.772 475 E HN 0.217 nan 8.360 nan 0.000 0.491 476 K N -1.478 118.871 120.400 -0.086 0.000 2.412 476 K HA 0.154 -6.516 4.320 -18.317 0.000 0.202 476 K C 1.456 178.084 176.600 0.047 0.000 1.102 476 K CA 0.027 56.285 56.287 -0.049 0.000 1.027 476 K CB 0.775 33.224 32.500 -0.086 0.000 0.931 476 K HN 0.106 nan 8.250 nan 0.000 0.557 477 c N 0.308 118.859 118.600 -0.082 0.000 2.689 477 c HA 0.160 -6.260 4.570 -18.317 0.000 0.336 477 c C 0.974 175.017 174.090 -0.078 0.000 1.304 477 c CA -0.266 56.006 56.329 -0.095 0.000 1.860 477 c CB 0.261 42.468 42.510 -0.504 0.000 2.405 477 c HN 0.124 nan 8.230 nan 0.000 0.557 478 S N 1.885 117.592 115.700 0.012 0.000 3.530 478 S HA 0.386 -6.134 4.470 -18.317 0.000 0.279 478 S C -0.479 174.170 174.600 0.081 0.000 1.280 478 S CA -0.145 58.078 58.200 0.037 0.000 0.946 478 S CB -0.869 62.390 63.200 0.099 0.000 1.501 478 S HN 0.671 nan 8.310 nan 0.000 0.498 479 Y N -1.552 118.762 120.300 0.024 0.000 2.790 479 Y HA 0.665 -5.773 4.550 -18.314 0.000 0.323 479 Y C 0.186 176.104 175.900 0.031 0.000 1.230 479 Y CA -1.737 56.371 58.100 0.015 0.000 1.121 479 Y CB -0.008 38.447 38.460 -0.008 0.000 1.328 479 Y HN 0.191 nan 8.280 nan 0.000 0.514 480 D N 0.379 120.929 120.400 0.250 0.000 2.702 480 D HA -0.153 -6.503 4.640 -18.317 0.000 0.233 480 D C 1.160 177.499 176.300 0.065 0.000 1.164 480 D CA 2.096 56.187 54.000 0.153 0.000 0.638 480 D CB -1.318 39.600 40.800 0.197 0.000 1.041 480 D HN 1.530 nan 8.370 nan 0.000 0.422 481 G N -1.577 107.255 108.800 0.054 0.000 2.179 481 G HA2 -0.239 -7.269 3.960 -18.317 0.000 0.257 481 G HA3 -0.239 -7.269 3.960 -18.317 0.000 0.257 481 G C 0.250 175.157 174.900 0.010 0.000 1.010 481 G CA 0.346 45.467 45.100 0.035 0.000 0.736 481 G HN 0.920 nan 8.290 nan 0.000 0.513 482 V N -0.048 119.851 119.914 -0.024 0.000 2.462 482 V HA 0.483 -6.387 4.120 -18.317 0.000 0.288 482 V C -0.078 175.984 176.094 -0.054 0.000 1.020 482 V CA -0.457 61.818 62.300 -0.042 0.000 0.857 482 V CB 1.794 33.584 31.823 -0.055 0.000 1.013 482 V HN 0.413 nan 8.190 nan 0.000 0.431 483 E N 3.330 123.515 120.200 -0.026 0.000 2.167 483 E HA 0.368 -6.271 4.350 -18.317 0.000 0.247 483 E C -1.098 175.448 176.600 -0.089 0.000 0.961 483 E CA -0.421 55.963 56.400 -0.026 0.000 0.797 483 E CB 0.673 30.368 29.700 -0.008 0.000 1.182 483 E HN 0.684 nan 8.360 nan 0.000 0.437 484 D N 3.245 123.596 120.400 -0.081 0.000 2.308 484 D HA 0.208 -6.142 4.640 -18.317 0.000 0.242 484 D C -0.160 176.051 176.300 -0.149 0.000 1.059 484 D CA -0.503 53.452 54.000 -0.076 0.000 0.830 484 D CB 1.387 42.196 40.800 0.016 0.000 1.161 484 D HN 0.282 nan 8.370 nan 0.000 0.494 485 K N 2.046 122.323 120.400 -0.205 0.000 2.373 485 K HA 0.234 -6.436 4.320 -18.317 0.000 0.202 485 K C 0.339 177.098 176.600 0.265 0.000 1.025 485 K CA -0.304 55.847 56.287 -0.228 0.000 1.115 485 K CB 0.639 32.869 32.500 -0.451 0.000 0.858 485 K HN 0.129 nan 8.250 nan 0.000 0.525 486 R N 1.451 122.071 120.500 0.200 0.000 2.421 486 R HA 0.125 -6.525 4.340 -18.317 0.000 0.305 486 R C -0.177 176.186 176.300 0.105 0.000 1.039 486 R CA 0.073 56.264 56.100 0.152 0.000 1.003 486 R CB 0.279 30.638 30.300 0.098 0.000 0.959 486 R HN 0.083 nan 8.270 nan 0.000 0.427 487 I N 4.647 125.183 120.570 -0.056 0.000 2.436 487 I HA -0.085 -6.905 4.170 -18.317 0.000 0.289 487 I C 1.502 177.544 176.117 -0.124 0.000 1.083 487 I CA 0.038 61.154 61.300 -0.305 0.000 1.372 487 I CB 0.861 38.676 38.000 -0.308 0.000 1.408 487 I HN 0.519 nan 8.210 nan 0.000 0.516 488 M N 4.451 123.984 119.600 -0.112 0.000 2.388 488 M HA 0.243 -6.267 4.480 -18.317 0.000 0.265 488 M C 0.888 177.185 176.300 -0.004 0.000 1.088 488 M CA 0.332 55.625 55.300 -0.010 0.000 1.134 488 M CB -0.665 31.957 32.600 0.036 0.000 1.384 488 M HN 0.720 nan 8.290 nan 0.000 0.447 489 G N 0.972 109.748 108.800 -0.041 0.000 2.387 489 G HA2 0.582 -6.448 3.960 -18.317 0.000 0.294 489 G HA3 0.582 -6.448 3.960 -18.317 0.000 0.294 489 G C -1.499 173.382 174.900 -0.032 0.000 1.509 489 G CA -0.935 44.157 45.100 -0.014 0.000 0.806 489 G HN 0.205 nan 8.290 nan 0.000 0.546 490 M N -0.070 119.522 119.600 -0.012 0.000 2.322 490 M HA 0.607 -5.903 4.480 -18.317 0.000 0.285 490 M C -1.602 174.696 176.300 -0.004 0.000 1.119 490 M CA -1.023 54.268 55.300 -0.015 0.000 0.953 490 M CB 2.535 35.108 32.600 -0.044 0.000 1.701 490 M HN 0.288 nan 8.290 nan 0.000 0.479 491 Q N 3.099 122.911 119.800 0.019 0.000 2.333 491 Q HA 0.577 -6.073 4.340 -18.317 0.000 0.265 491 Q C -1.459 174.542 176.000 0.003 0.000 0.989 491 Q CA -0.547 55.271 55.803 0.025 0.000 0.842 491 Q CB 3.310 32.075 28.738 0.046 0.000 1.262 491 Q HN 0.896 nan 8.270 nan 0.000 0.451 492 L N 2.449 123.642 121.223 -0.049 0.000 2.305 492 L HA 0.223 -6.427 4.340 -18.317 0.000 0.281 492 L C -0.503 176.350 176.870 -0.028 0.000 1.085 492 L CA 0.073 54.846 54.840 -0.111 0.000 0.813 492 L CB 0.714 42.693 42.059 -0.133 0.000 1.157 492 L HN 0.543 nan 8.230 nan 0.000 0.436 493 D N 2.964 123.345 120.400 -0.033 0.000 2.420 493 D HA 0.258 -6.092 4.640 -18.317 0.000 0.255 493 D C 0.838 177.129 176.300 -0.015 0.000 1.185 493 D CA -0.432 53.579 54.000 0.019 0.000 0.904 493 D CB 0.845 41.716 40.800 0.118 0.000 1.102 493 D HN 0.375 nan 8.370 nan 0.000 0.534 494 R N 2.289 122.793 120.500 0.006 0.000 2.082 494 R HA -0.153 -6.803 4.340 -18.317 0.000 0.234 494 R C 2.058 178.367 176.300 0.016 0.000 1.136 494 R CA 1.386 57.501 56.100 0.025 0.000 0.935 494 R CB -0.594 29.738 30.300 0.054 0.000 0.842 494 R HN 0.451 nan 8.270 nan 0.000 0.430 495 A N 1.740 124.572 122.820 0.020 0.000 1.909 495 A HA -0.263 -6.933 4.320 -18.317 0.000 0.221 495 A C 2.197 179.785 177.584 0.007 0.000 1.223 495 A CA 2.603 54.650 52.037 0.016 0.000 0.658 495 A CB -0.725 18.285 19.000 0.017 0.000 0.831 495 A HN 0.538 nan 8.150 nan 0.000 0.462 496 S N -1.960 113.743 115.700 0.006 0.000 2.605 496 S HA 0.408 -6.111 4.470 -18.317 0.000 0.217 496 S C 1.296 175.859 174.600 -0.062 0.000 0.958 496 S CA 1.006 59.203 58.200 -0.006 0.000 0.919 496 S CB -0.333 62.891 63.200 0.040 0.000 0.780 496 S HN 2.067 nan 8.310 nan 0.000 0.507 497 G N 1.330 110.085 108.800 -0.075 0.000 2.203 497 G HA2 -0.261 -7.291 3.960 -18.317 0.000 0.263 497 G HA3 -0.261 -7.291 3.960 -18.317 0.000 0.263 497 G C 0.065 174.811 174.900 -0.256 0.000 1.012 497 G CA 0.439 45.456 45.100 -0.138 0.000 0.749 497 G HN 1.329 nan 8.290 nan 0.000 0.512 498 S N -1.512 114.025 115.700 -0.271 0.000 2.568 498 S HA 0.782 -5.738 4.470 -18.317 0.000 0.293 498 S C -0.746 173.577 174.600 -0.461 0.000 1.089 498 S CA -0.973 56.969 58.200 -0.430 0.000 0.945 498 S CB 2.766 65.635 63.200 -0.552 0.000 1.077 498 S HN 1.317 nan 8.310 nan 0.000 0.485 499 L N 2.018 122.905 121.223 -0.560 0.000 2.298 499 L HA 0.569 -6.081 4.340 -18.317 0.000 0.284 499 L C -1.794 174.815 176.870 -0.434 0.000 1.013 499 L CA -0.531 54.012 54.840 -0.494 0.000 0.824 499 L CB 0.393 42.043 42.059 -0.682 0.000 1.221 499 L HN 0.760 nan 8.230 nan 0.000 0.418 500 Y N 4.360 124.556 120.300 -0.173 0.000 2.365 500 Y HA 0.476 -5.965 4.550 -18.319 0.000 0.340 500 Y C 0.050 175.900 175.900 -0.085 0.000 1.016 500 Y CA -0.284 57.754 58.100 -0.104 0.000 1.196 500 Y CB 1.260 39.671 38.460 -0.082 0.000 1.167 500 Y HN 0.327 nan 8.280 nan 0.000 0.509 501 V N 3.496 123.451 119.914 0.068 0.000 2.417 501 V HA 0.705 -6.165 4.120 -18.317 0.000 0.291 501 V C -0.085 176.017 176.094 0.013 0.000 1.024 501 V CA -1.124 61.173 62.300 -0.006 0.000 0.861 501 V CB 1.274 33.084 31.823 -0.021 0.000 0.985 501 V HN 0.842 nan 8.190 nan 0.000 0.436 502 A N 4.977 127.748 122.820 -0.082 0.000 2.276 502 A HA 0.881 -5.789 4.320 -18.317 0.000 0.316 502 A C -0.904 176.560 177.584 -0.199 0.000 1.229 502 A CA -0.245 51.784 52.037 -0.014 0.000 0.851 502 A CB 0.326 19.352 19.000 0.043 0.000 1.165 502 A HN 0.624 nan 8.150 nan 0.000 0.513 503 F N 0.677 120.720 119.950 0.155 0.000 2.572 503 F HA 0.425 -6.035 4.527 -18.313 0.000 0.342 503 F C 1.847 177.729 175.800 0.137 0.000 1.064 503 F CA -0.011 58.086 58.000 0.161 0.000 1.008 503 F CB 1.765 40.909 39.000 0.241 0.000 1.303 503 F HN 0.538 nan 8.300 nan 0.000 0.492 504 S N -0.481 115.417 115.700 0.330 0.000 2.400 504 S HA -0.167 -6.687 4.470 -18.317 0.000 0.232 504 S C 1.657 176.361 174.600 0.173 0.000 1.025 504 S CA 2.159 60.479 58.200 0.200 0.000 0.993 504 S CB -0.449 62.836 63.200 0.141 0.000 0.808 504 S HN 0.821 nan 8.310 nan 0.000 0.478 505 T N -2.459 112.188 114.554 0.155 0.000 3.003 505 T HA 0.388 -6.252 4.350 -18.317 0.000 0.261 505 T C 0.395 175.181 174.700 0.144 0.000 1.003 505 T CA 0.127 62.257 62.100 0.049 0.000 0.917 505 T CB -0.532 68.160 68.868 -0.294 0.000 1.084 505 T HN 0.583 nan 8.240 nan 0.000 0.522 506 c N -0.242 118.483 118.600 0.209 0.000 3.285 506 c HA 0.864 -5.556 4.570 -18.317 0.000 0.325 506 c C -1.253 173.022 174.090 0.308 0.000 1.304 506 c CA -1.080 55.368 56.329 0.198 0.000 1.319 506 c CB 1.373 43.961 42.510 0.129 0.000 1.640 506 c HN 0.155 nan 8.230 nan 0.000 0.477 507 V N 2.216 122.317 119.914 0.312 0.000 2.487 507 V HA 0.538 -6.332 4.120 -18.317 0.000 0.298 507 V C -0.175 176.088 176.094 0.282 0.000 1.028 507 V CA -0.250 62.244 62.300 0.324 0.000 0.860 507 V CB 1.482 33.505 31.823 0.334 0.000 0.991 507 V HN 0.809 nan 8.190 nan 0.000 0.427 508 I N 4.146 124.874 120.570 0.264 0.000 2.359 508 I HA 0.441 -6.379 4.170 -18.317 0.000 0.294 508 I C 0.225 176.386 176.117 0.075 0.000 0.987 508 I CA -0.561 60.854 61.300 0.190 0.000 1.225 508 I CB 1.580 39.724 38.000 0.239 0.000 1.366 508 I HN 0.517 nan 8.210 nan 0.000 0.466 509 K N 6.650 127.034 120.400 -0.026 0.000 2.257 509 K HA 0.404 -6.266 4.320 -18.317 0.000 0.270 509 K C -1.205 175.132 176.600 -0.439 0.000 1.098 509 K CA -0.395 55.683 56.287 -0.349 0.000 0.943 509 K CB 0.637 32.962 32.500 -0.292 0.000 1.316 509 K HN 0.436 nan 8.250 nan 0.000 0.447 510 V N 6.338 125.950 119.914 -0.503 0.000 2.432 510 V HA 0.246 -6.623 4.120 -18.317 0.000 0.275 510 V C -2.123 173.580 176.094 -0.651 0.000 1.043 510 V CA -2.243 59.657 62.300 -0.666 0.000 0.925 510 V CB 0.953 32.580 31.823 -0.327 0.000 0.985 510 V HN 0.737 nan 8.190 nan 0.000 0.466 511 P HA 0.163 nan 4.420 nan 0.000 0.268 511 P C 0.980 178.053 177.300 -0.378 0.000 1.205 511 P CA -0.036 62.782 63.100 -0.469 0.000 0.771 511 P CB 0.634 32.113 31.700 -0.368 0.000 0.858 512 L N 0.800 121.763 121.223 -0.432 0.000 2.191 512 L HA -0.009 -6.659 4.340 -18.317 0.000 0.212 512 L C 1.379 178.060 176.870 -0.315 0.000 1.103 512 L CA 1.398 55.946 54.840 -0.487 0.000 0.769 512 L CB -0.669 40.803 42.059 -0.978 0.000 0.908 512 L HN 0.510 nan 8.230 nan 0.000 0.438 513 G N -0.970 107.671 108.800 -0.264 0.000 2.642 513 G HA2 0.604 -6.425 3.960 -18.317 0.000 0.293 513 G HA3 0.604 -6.426 3.960 -18.317 0.000 0.293 513 G C -1.115 173.799 174.900 0.024 0.000 1.341 513 G CA -0.680 44.412 45.100 -0.013 0.000 0.916 513 G HN -0.078 nan 8.290 nan 0.000 0.474 514 R N 0.574 121.120 120.500 0.078 0.000 2.332 514 R HA 0.403 -6.246 4.340 -18.317 0.000 0.306 514 R C 0.292 176.636 176.300 0.073 0.000 1.117 514 R CA -0.400 55.752 56.100 0.087 0.000 1.108 514 R CB 0.335 30.697 30.300 0.104 0.000 1.126 514 R HN 0.530 nan 8.270 nan 0.000 0.548 515 c N 0.564 119.203 118.600 0.065 0.000 2.543 515 c HA 0.061 -6.359 4.570 -18.317 0.000 0.289 515 c C 2.767 176.885 174.090 0.047 0.000 1.368 515 c CA 0.777 57.141 56.329 0.057 0.000 1.778 515 c CB -0.086 42.458 42.510 0.056 0.000 2.155 515 c HN 0.899 nan 8.230 nan 0.000 0.529 516 E N 1.190 121.418 120.200 0.047 0.000 2.301 516 E HA -0.130 -6.770 4.350 -18.317 0.000 0.202 516 E C 1.294 177.915 176.600 0.035 0.000 1.017 516 E CA 1.988 58.412 56.400 0.040 0.000 0.831 516 E CB -0.854 28.872 29.700 0.044 0.000 0.742 516 E HN 0.837 nan 8.360 nan 0.000 0.491 524 T N 1.133 115.696 114.554 0.014 0.000 3.471 524 T HA 0.337 -6.303 4.350 -18.317 0.000 0.355 524 T C 0.958 175.668 174.700 0.017 0.000 1.775 524 T CA 0.280 62.389 62.100 0.015 0.000 1.305 524 T CB -1.565 67.310 68.868 0.012 0.000 1.171 524 T HN 1.310 nan 8.240 nan 0.000 0.776 525 C N 3.180 122.492 119.300 0.020 0.000 2.573 525 C HA 0.386 -6.144 4.460 -18.317 0.000 0.273 525 C C 1.860 176.865 174.990 0.025 0.000 1.346 525 C CA -0.408 58.624 59.018 0.024 0.000 1.702 525 C CB -1.892 25.865 27.740 0.028 0.000 1.751 525 C HN 0.847 nan 8.230 nan 0.000 0.583 526 I N 1.231 121.813 120.570 0.021 0.000 3.251 526 I HA 0.057 -6.763 4.170 -18.317 0.000 0.277 526 I C 2.720 178.847 176.117 0.016 0.000 1.268 526 I CA 0.856 62.168 61.300 0.020 0.000 1.449 526 I CB -0.142 37.869 38.000 0.019 0.000 1.083 526 I HN 0.401 nan 8.210 nan 0.000 0.464 527 A N 0.760 123.589 122.820 0.015 0.000 2.019 527 A HA -0.195 -6.865 4.320 -18.317 0.000 0.219 527 A C 2.477 180.068 177.584 0.012 0.000 1.164 527 A CA 1.911 53.955 52.037 0.012 0.000 0.644 527 A CB -0.603 18.404 19.000 0.011 0.000 0.805 527 A HN 0.503 nan 8.150 nan 0.000 0.449 528 S N -1.173 114.537 115.700 0.017 0.000 2.481 528 S HA -0.061 -6.581 4.470 -18.317 0.000 0.231 528 S C 1.001 175.610 174.600 0.014 0.000 0.996 528 S CA 0.699 58.911 58.200 0.020 0.000 0.942 528 S CB -0.371 62.848 63.200 0.031 0.000 0.768 528 S HN 0.571 nan 8.310 nan 0.000 0.520 529 R N 0.580 121.082 120.500 0.004 0.000 3.641 529 R HA -0.127 -6.777 4.340 -18.317 0.000 0.286 529 R C -1.236 175.036 176.300 -0.047 0.000 1.153 529 R CA 0.854 56.943 56.100 -0.019 0.000 0.775 529 R CB -2.322 27.969 30.300 -0.014 0.000 1.215 529 R HN 0.444 nan 8.270 nan 0.000 0.474 530 D N 0.044 120.432 120.400 -0.019 0.000 2.347 530 D HA 0.183 -6.167 4.640 -18.317 0.000 0.235 530 D C -1.398 174.868 176.300 -0.056 0.000 1.149 530 D CA -2.500 51.494 54.000 -0.010 0.000 0.850 530 D CB 1.280 42.125 40.800 0.075 0.000 1.061 530 D HN -0.094 nan 8.370 nan 0.000 0.487 531 P HA -0.113 nan 4.420 nan 0.000 0.223 531 P C 0.517 177.702 177.300 -0.192 0.000 1.144 531 P CA 0.945 63.888 63.100 -0.263 0.000 0.783 531 P CB 0.069 31.473 31.700 -0.494 0.000 0.771 532 Y N -1.847 118.456 120.300 0.006 0.000 2.519 532 Y HA -0.016 -6.457 4.550 -18.317 0.000 0.287 532 Y C 1.678 177.585 175.900 0.011 0.000 1.128 532 Y CA -0.165 57.947 58.100 0.019 0.000 1.282 532 Y CB -0.824 37.655 38.460 0.031 0.000 1.027 532 Y HN -0.006 nan 8.280 nan 0.000 0.551 555 Q N 1.402 121.232 119.800 0.050 0.000 3.091 555 Q HA 0.461 -6.189 4.340 -18.317 0.000 0.203 555 Q C -0.811 175.211 176.000 0.036 0.000 0.768 555 Q CA -0.105 55.722 55.803 0.040 0.000 0.955 555 Q CB 0.321 29.084 28.738 0.042 0.000 1.533 555 Q HN 0.973 nan 8.270 nan 0.000 0.472 556 D N 1.563 121.978 120.400 0.026 0.000 2.487 556 D HA 0.140 -6.210 4.640 -18.317 0.000 0.243 556 D C 0.154 176.461 176.300 0.012 0.000 1.154 556 D CA 0.599 54.611 54.000 0.020 0.000 0.876 556 D CB 0.555 41.364 40.800 0.014 0.000 1.161 556 D HN 0.669 nan 8.370 nan 0.000 0.478 557 I N 2.923 123.502 120.570 0.015 0.000 3.621 557 I HA 0.066 -6.754 4.170 -18.317 0.000 0.325 557 I C 0.308 176.433 176.117 0.013 0.000 1.554 557 I CA -0.555 60.746 61.300 0.000 0.000 1.053 557 I CB 0.357 38.341 38.000 -0.028 0.000 1.302 557 I HN 0.133 nan 8.210 nan 0.000 0.518 558 E N 0.000 120.209 120.200 0.015 0.000 2.725 558 E HA 0.000 -6.640 4.350 -18.317 0.000 0.291 558 E CA 0.000 56.409 56.400 0.015 0.000 0.976 558 E CB 0.000 29.708 29.700 0.013 0.000 0.812 558 E HN 0.000 nan 8.360 nan 0.000 0.440