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 1ecb_1_B DATA FIRST_RESID 1 DATA SEQUENCE CGIVGIAGVM PVNQSIYDAL TVLQHRGQDA AGIITIDANN CFRLRKANGL DATA SEQUENCE VSDVFEARHM QRLQGNMGIG HVRYPTAGSS SASEAQPFYV NSPYGITLAH DATA SEQUENCE NGNLTNAHEL RKKLFEEKRR HINTTSDSEI LLNIFASELD NFRHYPLEAD DATA SEQUENCE NIFAAIAATN RLIRGAYACV AMIIGHGMVA FRDPNGIRPL VLGKRDIDEN DATA SEQUENCE RTEYMVASES VALDTLGFDF LRDVAPGEAI YITEEGQLFT RQCADNPVSN DATA SEQUENCE PCLFEYVYFA RPDSFIDKIS VYSARVNMGT KLGEKIAREW EDLDIDVVIP DATA SEQUENCE IPETSCDIAL EIARILGKPY RQGFVKNRYV GRTFIMXXXX XXXXSVRRKL DATA SEQUENCE NANRAEFRDK NVLLVDDSIV RGTTSEQIIE MAREAGAKKV YLASAAPEIR DATA SEQUENCE FPNVYGIDMP SATELIAHGR EVDEIRQIIG ADGLIFQDLN DLIDAVRAEN DATA SEQUENCE PDIQQFECSV FNGVYVTKDV DQGYLDFL 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 1 C HA 0.000 nan 4.460 nan 0.000 0.325 1 C C 0.000 174.975 174.990 -0.025 0.000 1.270 1 C CA 0.000 59.039 59.018 0.036 0.000 1.963 1 C CB 0.000 27.770 27.740 0.051 0.000 2.134 2 G N 0.457 109.152 108.800 -0.175 0.000 2.620 2 G HA2 0.876 4.836 3.960 0.000 0.000 0.301 2 G HA3 0.876 4.836 3.960 0.000 0.000 0.301 2 G C -1.326 173.505 174.900 -0.116 0.000 1.347 2 G CA -0.513 44.510 45.100 -0.127 0.000 0.971 2 G HN 1.303 nan 8.290 nan 0.000 0.488 3 I N -1.124 119.429 120.570 -0.029 0.000 2.865 3 I HA 0.904 5.074 4.170 0.000 0.000 0.302 3 I C -1.504 174.616 176.117 0.004 0.000 1.140 3 I CA -1.372 59.945 61.300 0.028 0.000 1.021 3 I CB 2.299 40.348 38.000 0.083 0.000 1.233 3 I HN 0.588 nan 8.210 nan 0.000 0.427 4 V N 2.561 122.481 119.914 0.010 0.000 3.087 4 V HA 0.985 5.105 4.120 0.000 0.000 0.306 4 V C -0.813 175.282 176.094 0.001 0.000 1.187 4 V CA 0.149 62.440 62.300 -0.015 0.000 0.999 4 V CB 2.230 34.026 31.823 -0.045 0.000 1.049 4 V HN 1.252 nan 8.190 nan 0.000 0.431 5 G N 5.003 113.798 108.800 -0.008 0.000 2.734 5 G HA2 0.645 4.605 3.960 0.000 0.000 0.293 5 G HA3 0.645 4.605 3.960 0.000 0.000 0.293 5 G C -1.740 173.168 174.900 0.013 0.000 1.422 5 G CA -0.448 44.666 45.100 0.023 0.000 1.177 5 G HN 0.769 nan 8.290 nan 0.000 0.565 6 I N 1.277 121.865 120.570 0.029 0.000 2.509 6 I HA 0.616 4.786 4.170 0.000 0.000 0.293 6 I C 0.241 176.427 176.117 0.114 0.000 1.020 6 I CA -1.190 60.140 61.300 0.049 0.000 1.088 6 I CB 2.491 40.504 38.000 0.022 0.000 1.267 6 I HN 0.590 nan 8.210 nan 0.000 0.430 7 A N 4.904 127.824 122.820 0.167 0.000 2.786 7 A HA 0.721 5.041 4.320 0.000 0.000 0.346 7 A C 0.168 177.858 177.584 0.177 0.000 1.265 7 A CA -0.409 51.727 52.037 0.166 0.000 0.858 7 A CB 0.135 19.248 19.000 0.187 0.000 1.118 7 A HN 0.861 nan 8.150 nan 0.000 0.482 8 G N -0.593 108.292 108.800 0.142 0.000 2.557 8 G HA2 0.499 4.459 3.960 0.000 0.000 0.302 8 G HA3 0.499 4.459 3.960 0.000 0.000 0.302 8 G C 0.447 175.393 174.900 0.076 0.000 1.311 8 G CA 0.205 45.378 45.100 0.123 0.000 1.030 8 G HN 1.289 nan 8.290 nan 0.000 0.509 9 V N -2.928 117.015 119.914 0.048 0.000 3.085 9 V HA 0.586 4.706 4.120 0.000 0.000 0.345 9 V C 0.142 176.250 176.094 0.024 0.000 1.397 9 V CA -0.040 62.276 62.300 0.027 0.000 1.165 9 V CB -1.523 30.303 31.823 0.005 0.000 1.153 9 V HN 0.757 nan 8.190 nan 0.000 0.495 10 M N -3.028 116.594 119.600 0.036 0.000 2.790 10 M HA 0.665 5.146 4.480 0.000 0.000 0.272 10 M C -3.259 173.067 176.300 0.042 0.000 1.168 10 M CA -1.591 53.728 55.300 0.031 0.000 0.829 10 M CB 0.982 33.596 32.600 0.022 0.000 1.675 10 M HN -0.246 nan 8.290 nan 0.000 0.505 11 P HA -0.047 nan 4.420 nan 0.000 0.261 11 P C 0.584 177.911 177.300 0.044 0.000 1.158 11 P CA 0.093 63.214 63.100 0.035 0.000 0.758 11 P CB 0.313 32.027 31.700 0.023 0.000 0.763 12 V N 0.396 120.337 119.914 0.044 0.000 3.477 12 V HA 0.060 4.180 4.120 0.000 0.000 0.297 12 V C 1.512 177.618 176.094 0.020 0.000 1.433 12 V CA 0.457 62.785 62.300 0.046 0.000 1.052 12 V CB -0.521 31.336 31.823 0.056 0.000 0.895 12 V HN 0.386 nan 8.190 nan 0.000 0.438 13 N N 2.008 120.712 118.700 0.007 0.000 2.069 13 N HA -0.291 4.449 4.740 0.000 0.000 0.191 13 N C 1.736 177.227 175.510 -0.031 0.000 1.031 13 N CA 2.352 55.389 53.050 -0.023 0.000 0.852 13 N CB -0.622 37.851 38.487 -0.024 0.000 1.018 13 N HN 0.594 nan 8.380 nan 0.000 0.423 14 Q N 0.622 120.411 119.800 -0.019 0.000 2.079 14 Q HA 0.090 4.430 4.340 0.000 0.000 0.200 14 Q C 1.932 177.967 176.000 0.058 0.000 0.974 14 Q CA 1.617 57.415 55.803 -0.009 0.000 0.840 14 Q CB -0.385 28.345 28.738 -0.014 0.000 0.898 14 Q HN 0.421 nan 8.270 nan 0.000 0.430 15 S N -0.058 115.670 115.700 0.047 0.000 2.382 15 S HA -0.096 4.374 4.470 0.000 0.000 0.228 15 S C 1.796 176.407 174.600 0.018 0.000 1.027 15 S CA 1.294 59.523 58.200 0.049 0.000 0.991 15 S CB -0.288 62.950 63.200 0.063 0.000 0.823 15 S HN 0.412 nan 8.310 nan 0.000 0.469 16 I N -0.093 120.477 120.570 0.000 0.000 2.233 16 I HA -0.175 3.995 4.170 0.000 0.000 0.243 16 I C 2.253 178.353 176.117 -0.027 0.000 1.093 16 I CA 1.320 62.598 61.300 -0.037 0.000 1.380 16 I CB -0.422 37.540 38.000 -0.062 0.000 1.067 16 I HN 0.286 nan 8.210 nan 0.000 0.413 17 Y N 2.247 122.448 120.300 -0.166 0.000 2.128 17 Y HA -0.342 4.208 4.550 0.000 0.000 0.284 17 Y C 2.220 178.085 175.900 -0.058 0.000 1.154 17 Y CA 1.986 59.992 58.100 -0.156 0.000 1.149 17 Y CB -0.268 38.112 38.460 -0.134 0.000 0.976 17 Y HN 0.198 nan 8.280 nan 0.000 0.505 18 D N 0.096 120.604 120.400 0.179 0.000 2.144 18 D HA -0.167 4.473 4.640 0.000 0.000 0.199 18 D C 2.245 178.541 176.300 -0.007 0.000 0.984 18 D CA 1.472 55.527 54.000 0.091 0.000 0.834 18 D CB -0.568 40.304 40.800 0.121 0.000 0.955 18 D HN 0.510 nan 8.370 nan 0.000 0.465 19 A N 0.466 123.272 122.820 -0.022 0.000 1.968 19 A HA -0.048 4.272 4.320 0.000 0.000 0.217 19 A C 2.352 179.894 177.584 -0.070 0.000 1.169 19 A CA 0.622 52.630 52.037 -0.048 0.000 0.638 19 A CB -0.587 18.370 19.000 -0.073 0.000 0.812 19 A HN 0.185 nan 8.150 nan 0.000 0.446 20 L N 0.064 121.229 121.223 -0.097 0.000 2.156 20 L HA -0.133 4.207 4.340 0.000 0.000 0.208 20 L C 2.956 179.741 176.870 -0.141 0.000 1.095 20 L CA 1.657 56.427 54.840 -0.117 0.000 0.770 20 L CB -0.789 41.203 42.059 -0.111 0.000 0.914 20 L HN 0.647 nan 8.230 nan 0.000 0.439 21 T N -2.384 112.063 114.554 -0.179 0.000 2.833 21 T HA -0.125 4.225 4.350 0.000 0.000 0.269 21 T C 1.580 176.236 174.700 -0.073 0.000 1.054 21 T CA 1.263 63.266 62.100 -0.162 0.000 1.135 21 T CB -0.775 67.967 68.868 -0.211 0.000 0.869 21 T HN 0.282 nan 8.240 nan 0.000 0.466 22 V N -1.404 118.485 119.914 -0.041 0.000 3.573 22 V HA 0.425 4.545 4.120 0.000 0.000 0.270 22 V C 1.774 177.907 176.094 0.066 0.000 1.221 22 V CA 0.497 62.809 62.300 0.019 0.000 1.163 22 V CB -0.995 30.841 31.823 0.022 0.000 0.847 22 V HN 0.462 nan 8.190 nan 0.000 0.468 23 L N -0.443 120.744 121.223 -0.060 0.000 2.766 23 L HA 0.281 4.621 4.340 0.000 0.000 0.242 23 L C 2.163 178.794 176.870 -0.399 0.000 1.136 23 L CA 0.204 54.896 54.840 -0.246 0.000 0.933 23 L CB 0.235 42.188 42.059 -0.178 0.000 1.241 23 L HN 0.321 nan 8.230 nan 0.000 0.522 24 Q N 0.626 120.308 119.800 -0.197 0.000 2.297 24 Q HA -0.233 4.107 4.340 0.000 0.000 0.208 24 Q C 2.183 178.087 176.000 -0.160 0.000 0.981 24 Q CA 1.762 57.473 55.803 -0.153 0.000 0.876 24 Q CB -0.054 28.635 28.738 -0.082 0.000 0.921 24 Q HN 0.640 nan 8.270 nan 0.000 0.446 25 H N -1.175 117.821 119.070 -0.124 0.000 2.489 25 H HA -0.016 4.540 4.556 0.000 0.000 0.293 25 H C 1.157 176.352 175.328 -0.222 0.000 1.066 25 H CA 1.188 57.132 56.048 -0.174 0.000 1.305 25 H CB -0.165 29.456 29.762 -0.235 0.000 1.386 25 H HN 0.299 nan 8.280 nan 0.000 0.551 26 R N 0.971 121.123 120.500 -0.579 0.000 2.307 26 R HA 0.171 4.511 4.340 0.000 0.000 0.199 26 R C 0.305 176.641 176.300 0.059 0.000 1.000 26 R CA 0.633 56.538 56.100 -0.325 0.000 1.023 26 R CB 0.537 30.677 30.300 -0.266 0.000 0.908 26 R HN 0.444 nan 8.270 nan 0.000 0.473 27 G N 0.253 109.070 108.800 0.029 0.000 2.387 27 G HA2 0.135 4.095 3.960 0.000 0.000 0.309 27 G HA3 0.135 4.095 3.960 0.000 0.000 0.309 27 G C -0.802 174.090 174.900 -0.013 0.000 1.641 27 G CA -0.681 44.485 45.100 0.111 0.000 0.904 27 G HN 0.024 nan 8.290 nan 0.000 0.661 28 Q N 0.771 120.550 119.800 -0.035 0.000 2.127 28 Q HA 0.201 4.542 4.340 0.000 0.000 0.222 28 Q C 1.184 177.147 176.000 -0.061 0.000 0.794 28 Q CA -0.012 55.761 55.803 -0.051 0.000 1.010 28 Q CB 1.350 30.059 28.738 -0.048 0.000 1.170 28 Q HN 0.607 nan 8.270 nan 0.000 0.479 29 D N 0.748 121.105 120.400 -0.072 0.000 2.183 29 D HA 0.073 4.714 4.640 0.000 0.000 0.203 29 D C 0.078 176.355 176.300 -0.037 0.000 0.969 29 D CA 0.989 54.949 54.000 -0.066 0.000 0.842 29 D CB 0.427 41.181 40.800 -0.076 0.000 0.957 29 D HN 0.274 nan 8.370 nan 0.000 0.484 30 A N -1.211 121.598 122.820 -0.017 0.000 2.601 30 A HA 0.775 5.095 4.320 0.000 0.000 0.291 30 A C -1.657 175.940 177.584 0.021 0.000 1.075 30 A CA -0.233 51.800 52.037 -0.008 0.000 0.671 30 A CB 1.238 20.244 19.000 0.010 0.000 1.277 30 A HN 0.259 nan 8.150 nan 0.000 0.417 31 A N -0.586 122.249 122.820 0.024 0.000 2.572 31 A HA 0.975 5.295 4.320 0.000 0.000 0.295 31 A C -0.238 177.458 177.584 0.188 0.000 1.072 31 A CA -0.085 52.026 52.037 0.124 0.000 0.691 31 A CB 1.671 20.774 19.000 0.171 0.000 1.291 31 A HN 2.526 nan 8.150 nan 0.000 0.404 32 G N -0.104 108.906 108.800 0.349 0.000 2.742 32 G HA2 0.621 4.581 3.960 0.000 0.000 0.296 32 G HA3 0.621 4.581 3.960 0.000 0.000 0.296 32 G C -1.562 173.511 174.900 0.288 0.000 1.436 32 G CA -0.398 44.911 45.100 0.347 0.000 0.928 32 G HN 0.748 nan 8.290 nan 0.000 0.520 33 I N 1.026 121.733 120.570 0.228 0.000 2.686 33 I HA 0.611 4.781 4.170 0.000 0.000 0.295 33 I C -1.107 175.037 176.117 0.045 0.000 1.114 33 I CA -0.938 60.369 61.300 0.011 0.000 1.038 33 I CB 2.679 40.511 38.000 -0.280 0.000 1.238 33 I HN 0.482 nan 8.210 nan 0.000 0.420 34 I N 4.451 125.034 120.570 0.021 0.000 2.644 34 I HA 0.485 4.655 4.170 0.000 0.000 0.291 34 I C -0.574 175.596 176.117 0.087 0.000 1.180 34 I CA 0.174 61.494 61.300 0.033 0.000 1.040 34 I CB 2.103 40.069 38.000 -0.056 0.000 1.255 34 I HN 0.784 nan 8.210 nan 0.000 0.422 35 T N 4.502 119.141 114.554 0.142 0.000 2.858 35 T HA 0.682 5.032 4.350 0.000 0.000 0.285 35 T C -0.571 174.285 174.700 0.260 0.000 1.052 35 T CA -0.785 61.417 62.100 0.170 0.000 1.009 35 T CB 1.820 70.750 68.868 0.102 0.000 1.241 35 T HN 0.397 nan 8.240 nan 0.000 0.542 36 I N 2.376 123.054 120.570 0.180 0.000 2.439 36 I HA 0.294 4.464 4.170 0.000 0.000 0.283 36 I C -0.616 175.530 176.117 0.048 0.000 1.023 36 I CA -0.913 60.443 61.300 0.093 0.000 1.100 36 I CB 1.666 39.697 38.000 0.052 0.000 1.238 36 I HN 0.833 nan 8.210 nan 0.000 0.445 37 D N 5.473 125.888 120.400 0.025 0.000 2.414 37 D HA 0.149 4.790 4.640 0.000 0.000 0.251 37 D C 1.233 177.536 176.300 0.006 0.000 1.252 37 D CA -0.516 53.496 54.000 0.020 0.000 0.999 37 D CB 0.860 41.672 40.800 0.019 0.000 1.093 37 D HN 0.485 nan 8.370 nan 0.000 0.515 38 A N -0.085 122.740 122.820 0.009 0.000 2.186 38 A HA -0.180 4.140 4.320 0.000 0.000 0.219 38 A C 1.208 178.791 177.584 -0.002 0.000 1.159 38 A CA 0.864 52.905 52.037 0.006 0.000 0.680 38 A CB -0.716 18.288 19.000 0.008 0.000 0.787 38 A HN 0.518 nan 8.150 nan 0.000 0.467 39 N N 0.546 119.241 118.700 -0.008 0.000 2.235 39 N HA 0.018 4.758 4.740 0.000 0.000 0.209 39 N C -0.385 175.106 175.510 -0.031 0.000 1.122 39 N CA -0.016 53.026 53.050 -0.013 0.000 0.845 39 N CB -0.056 38.426 38.487 -0.009 0.000 1.004 39 N HN 0.384 nan 8.380 nan 0.000 0.499 40 N N 0.286 118.959 118.700 -0.044 0.000 2.740 40 N HA -0.169 4.571 4.740 0.000 0.000 0.248 40 N C -1.023 174.394 175.510 -0.156 0.000 1.062 40 N CA 0.600 53.599 53.050 -0.086 0.000 0.704 40 N CB -1.632 36.827 38.487 -0.047 0.000 0.968 40 N HN 0.246 nan 8.380 nan 0.000 0.547 41 C N 0.540 119.752 119.300 -0.146 0.000 2.507 41 C HA 0.581 5.041 4.460 0.000 0.000 0.319 41 C C 0.486 175.386 174.990 -0.150 0.000 1.208 41 C CA -0.821 58.102 59.018 -0.158 0.000 1.619 41 C CB 0.867 28.574 27.740 -0.055 0.000 2.230 41 C HN 0.228 nan 8.230 nan 0.000 0.492 42 F N 3.096 123.025 119.950 -0.034 0.000 2.399 42 F HA 0.490 5.017 4.527 0.000 0.000 0.342 42 F C 0.996 176.757 175.800 -0.065 0.000 1.106 42 F CA 0.072 58.035 58.000 -0.060 0.000 1.196 42 F CB 0.588 39.482 39.000 -0.176 0.000 1.163 42 F HN 0.273 nan 8.300 nan 0.000 0.547 43 R N 3.533 124.148 120.500 0.191 0.000 2.494 43 R HA 0.669 5.009 4.340 0.000 0.000 0.305 43 R C -1.530 174.821 176.300 0.086 0.000 0.959 43 R CA -1.038 55.123 56.100 0.102 0.000 0.864 43 R CB 2.115 32.469 30.300 0.089 0.000 1.159 43 R HN 0.650 nan 8.270 nan 0.000 0.446 44 L N 1.233 122.486 121.223 0.050 0.000 2.422 44 L HA 0.597 4.938 4.340 0.000 0.000 0.264 44 L C -1.187 175.715 176.870 0.053 0.000 0.984 44 L CA -0.471 54.389 54.840 0.034 0.000 0.819 44 L CB 1.984 44.026 42.059 -0.028 0.000 1.330 44 L HN 0.408 nan 8.230 nan 0.000 0.410 45 R N 3.965 124.531 120.500 0.110 0.000 2.514 45 R HA 0.607 4.947 4.340 0.000 0.000 0.296 45 R C -1.810 174.557 176.300 0.112 0.000 1.012 45 R CA -0.535 55.620 56.100 0.092 0.000 0.897 45 R CB 1.741 32.194 30.300 0.255 0.000 1.184 45 R HN 0.920 nan 8.270 nan 0.000 0.440 46 K N 1.911 122.269 120.400 -0.070 0.000 2.557 46 K HA 0.826 5.146 4.320 0.000 0.000 0.257 46 K C -1.849 174.655 176.600 -0.160 0.000 0.933 46 K CA -0.922 55.311 56.287 -0.090 0.000 0.820 46 K CB 2.102 34.569 32.500 -0.056 0.000 1.330 46 K HN 0.515 nan 8.250 nan 0.000 0.432 47 A N 2.092 124.806 122.820 -0.178 0.000 2.566 47 A HA 0.515 4.835 4.320 0.000 0.000 0.290 47 A C -1.695 175.818 177.584 -0.118 0.000 1.071 47 A CA -1.085 50.863 52.037 -0.148 0.000 0.658 47 A CB 1.093 19.980 19.000 -0.188 0.000 1.285 47 A HN 0.745 nan 8.150 nan 0.000 0.427 48 N N -0.226 118.425 118.700 -0.083 0.000 2.482 48 N HA 0.592 5.332 4.740 0.000 0.000 0.260 48 N C 0.378 175.843 175.510 -0.076 0.000 1.236 48 N CA 1.594 54.607 53.050 -0.062 0.000 0.938 48 N CB 1.020 39.481 38.487 -0.044 0.000 1.128 48 N HN 1.771 nan 8.380 nan 0.000 0.448 49 G N -0.846 107.916 108.800 -0.063 0.000 2.371 49 G HA2 -0.064 3.896 3.960 0.000 0.000 0.663 49 G HA3 -0.064 3.896 3.960 0.000 0.000 0.663 49 G C -1.074 173.792 174.900 -0.056 0.000 1.311 49 G CA -1.002 44.062 45.100 -0.061 0.000 0.985 49 G HN 0.440 nan 8.290 nan 0.000 0.566 50 L N 0.117 121.316 121.223 -0.041 0.000 2.472 50 L HA 0.266 4.606 4.340 0.000 0.000 0.260 50 L C 2.270 179.126 176.870 -0.022 0.000 1.209 50 L CA -0.667 54.155 54.840 -0.030 0.000 0.817 50 L CB 0.644 42.692 42.059 -0.018 0.000 1.106 50 L HN 0.470 nan 8.230 nan 0.000 0.479 51 V N 0.497 120.407 119.914 -0.007 0.000 2.255 51 V HA -0.290 3.830 4.120 0.000 0.000 0.247 51 V C 2.391 178.558 176.094 0.121 0.000 1.051 51 V CA 2.325 64.666 62.300 0.068 0.000 1.018 51 V CB -0.609 31.162 31.823 -0.087 0.000 0.641 51 V HN 1.061 nan 8.190 nan 0.000 0.445 52 S N -0.231 115.494 115.700 0.040 0.000 2.419 52 S HA -0.228 4.242 4.470 0.000 0.000 0.235 52 S C 1.508 176.204 174.600 0.161 0.000 1.019 52 S CA 1.650 59.950 58.200 0.167 0.000 0.982 52 S CB -0.433 62.833 63.200 0.109 0.000 0.789 52 S HN 0.647 nan 8.310 nan 0.000 0.490 53 D N 0.990 121.430 120.400 0.067 0.000 2.240 53 D HA 0.138 4.778 4.640 0.000 0.000 0.206 53 D C 2.086 178.372 176.300 -0.023 0.000 0.963 53 D CA 0.497 54.517 54.000 0.033 0.000 0.863 53 D CB -0.207 40.593 40.800 0.001 0.000 0.973 53 D HN 0.335 nan 8.370 nan 0.000 0.501 54 V N 0.686 120.512 119.914 -0.148 0.000 2.323 54 V HA -0.133 3.988 4.120 0.000 0.000 0.244 54 V C 0.597 176.366 176.094 -0.540 0.000 1.041 54 V CA 1.051 63.072 62.300 -0.464 0.000 1.025 54 V CB -0.361 30.985 31.823 -0.794 0.000 0.656 54 V HN 0.019 nan 8.190 nan 0.000 0.451 55 F N 0.958 121.048 119.950 0.233 0.000 2.335 55 F HA 0.452 4.979 4.527 0.000 0.000 0.365 55 F C 0.525 176.509 175.800 0.307 0.000 1.122 55 F CA -0.636 57.561 58.000 0.327 0.000 1.151 55 F CB -0.114 39.080 39.000 0.322 0.000 1.282 55 F HN 0.119 nan 8.300 nan 0.000 0.513 56 E N 0.885 121.366 120.200 0.468 0.000 2.254 56 E HA 0.548 4.899 4.350 0.000 0.000 0.261 56 E C 0.917 177.506 176.600 -0.018 0.000 1.051 56 E CA -0.525 55.920 56.400 0.076 0.000 0.902 56 E CB 1.305 30.922 29.700 -0.139 0.000 1.168 56 E HN 0.590 nan 8.360 nan 0.000 0.423 57 A N 1.626 124.408 122.820 -0.063 0.000 1.948 57 A HA -0.283 4.037 4.320 0.000 0.000 0.220 57 A C 1.996 179.540 177.584 -0.067 0.000 1.177 57 A CA 2.149 54.151 52.037 -0.058 0.000 0.636 57 A CB -0.742 18.226 19.000 -0.053 0.000 0.815 57 A HN 0.719 nan 8.150 nan 0.000 0.449 58 R N -0.909 119.497 120.500 -0.158 0.000 2.081 58 R HA -0.176 4.164 4.340 0.000 0.000 0.235 58 R C 1.937 178.226 176.300 -0.017 0.000 1.131 58 R CA 1.781 57.806 56.100 -0.124 0.000 0.960 58 R CB -1.005 29.184 30.300 -0.185 0.000 0.856 58 R HN 0.719 nan 8.270 nan 0.000 0.436 59 H N 0.548 119.657 119.070 0.064 0.000 2.270 59 H HA -0.017 4.540 4.556 0.000 0.000 0.299 59 H C 2.366 177.756 175.328 0.103 0.000 1.077 59 H CA 1.495 57.607 56.048 0.106 0.000 1.294 59 H CB -0.046 29.817 29.762 0.169 0.000 1.371 59 H HN 0.045 nan 8.280 nan 0.000 0.491 60 M N 0.796 120.523 119.600 0.212 0.000 2.144 60 M HA -0.213 4.267 4.480 0.000 0.000 0.260 60 M C 2.288 178.620 176.300 0.054 0.000 1.067 60 M CA 1.262 56.616 55.300 0.090 0.000 1.095 60 M CB -0.811 31.786 32.600 -0.005 0.000 1.365 60 M HN 0.382 nan 8.290 nan 0.000 0.406 61 Q N 0.577 120.404 119.800 0.044 0.000 2.112 61 Q HA -0.199 4.141 4.340 0.000 0.000 0.206 61 Q C 2.118 178.144 176.000 0.044 0.000 0.987 61 Q CA 1.655 57.475 55.803 0.028 0.000 0.858 61 Q CB -0.352 28.395 28.738 0.015 0.000 0.905 61 Q HN 0.479 nan 8.270 nan 0.000 0.420 62 R N -0.007 120.536 120.500 0.071 0.000 2.148 62 R HA 0.039 4.379 4.340 0.000 0.000 0.223 62 R C 0.733 177.076 176.300 0.072 0.000 1.088 62 R CA 0.131 56.275 56.100 0.074 0.000 0.985 62 R CB -0.040 30.319 30.300 0.099 0.000 0.880 62 R HN 0.220 nan 8.270 nan 0.000 0.451 63 L N 3.213 124.482 121.223 0.077 0.000 2.376 63 L HA 0.110 4.450 4.340 0.000 0.000 0.250 63 L C -0.274 176.624 176.870 0.046 0.000 1.335 63 L CA 0.110 54.988 54.840 0.064 0.000 1.214 63 L CB 0.192 42.284 42.059 0.055 0.000 1.395 63 L HN 0.111 nan 8.230 nan 0.000 0.424 64 Q N 1.288 121.116 119.800 0.047 0.000 2.259 64 Q HA 0.722 5.062 4.340 0.000 0.000 0.246 64 Q C 0.412 176.439 176.000 0.045 0.000 0.920 64 Q CA -0.072 55.754 55.803 0.039 0.000 0.895 64 Q CB 1.997 30.755 28.738 0.033 0.000 1.220 64 Q HN 0.593 nan 8.270 nan 0.000 0.439 65 G N 1.283 110.107 108.800 0.041 0.000 2.326 65 G HA2 -0.092 3.868 3.960 0.000 0.000 0.413 65 G HA3 -0.092 3.868 3.960 0.000 0.000 0.413 65 G C -0.816 174.114 174.900 0.051 0.000 1.444 65 G CA -0.919 44.209 45.100 0.048 0.000 1.002 65 G HN 0.551 nan 8.290 nan 0.000 0.649 66 N N -0.383 118.349 118.700 0.055 0.000 2.203 66 N HA 0.268 5.008 4.740 0.000 0.000 0.207 66 N C 0.367 175.924 175.510 0.078 0.000 1.130 66 N CA 0.384 53.470 53.050 0.060 0.000 0.861 66 N CB 0.684 39.201 38.487 0.051 0.000 1.005 66 N HN 0.660 nan 8.380 nan 0.000 0.507 67 M N -0.248 119.404 119.600 0.087 0.000 2.371 67 M HA 0.596 5.076 4.480 0.000 0.000 0.287 67 M C -1.499 174.871 176.300 0.117 0.000 1.149 67 M CA -0.505 54.859 55.300 0.106 0.000 0.929 67 M CB 2.212 34.882 32.600 0.117 0.000 1.683 67 M HN 0.092 nan 8.290 nan 0.000 0.470 68 G N 3.877 112.743 108.800 0.109 0.000 2.489 68 G HA2 0.596 4.556 3.960 0.000 0.000 0.291 68 G HA3 0.596 4.556 3.960 0.000 0.000 0.291 68 G C -2.082 172.863 174.900 0.075 0.000 1.487 68 G CA -0.778 44.383 45.100 0.102 0.000 0.795 68 G HN 1.087 nan 8.290 nan 0.000 0.513 69 I N -1.845 118.762 120.570 0.063 0.000 3.042 69 I HA 1.013 5.183 4.170 0.000 0.000 0.310 69 I C 0.064 176.198 176.117 0.029 0.000 1.117 69 I CA -1.300 60.028 61.300 0.048 0.000 1.003 69 I CB 2.461 40.500 38.000 0.066 0.000 1.228 69 I HN 0.999 nan 8.210 nan 0.000 0.443 70 G N 1.508 110.329 108.800 0.036 0.000 2.672 70 G HA2 0.555 4.515 3.960 0.000 0.000 0.292 70 G HA3 0.555 4.515 3.960 0.000 0.000 0.292 70 G C -2.175 172.799 174.900 0.124 0.000 1.375 70 G CA -0.427 44.700 45.100 0.045 0.000 0.890 70 G HN 0.969 nan 8.290 nan 0.000 0.476 71 H N -0.289 118.791 119.070 0.016 0.000 3.026 71 H HA 0.476 5.032 4.556 0.000 0.000 0.352 71 H C -1.415 173.934 175.328 0.036 0.000 1.090 71 H CA -0.445 55.616 56.048 0.022 0.000 1.268 71 H CB 2.108 31.884 29.762 0.023 0.000 1.816 71 H HN 0.638 nan 8.280 nan 0.000 0.518 72 V N 3.387 123.043 119.914 -0.431 0.000 2.459 72 V HA 0.594 4.714 4.120 0.000 0.000 0.295 72 V C 0.140 175.948 176.094 -0.476 0.000 1.029 72 V CA -1.053 61.079 62.300 -0.281 0.000 0.874 72 V CB 1.619 33.339 31.823 -0.173 0.000 0.985 72 V HN 0.721 nan 8.190 nan 0.000 0.438 73 R N 3.540 123.938 120.500 -0.170 0.000 2.338 73 R HA 0.441 4.781 4.340 0.000 0.000 0.317 73 R C -1.429 174.918 176.300 0.077 0.000 0.968 73 R CA -0.681 55.429 56.100 0.018 0.000 0.849 73 R CB 1.244 31.680 30.300 0.227 0.000 1.128 73 R HN 0.883 nan 8.270 nan 0.000 0.448 74 Y N 6.700 127.025 120.300 0.042 0.000 2.377 74 Y HA 0.233 4.783 4.550 0.000 0.000 0.330 74 Y C -1.762 174.186 175.900 0.081 0.000 1.108 74 Y CA -2.241 55.910 58.100 0.084 0.000 1.308 74 Y CB 0.997 39.560 38.460 0.171 0.000 1.216 74 Y HN 0.540 nan 8.280 nan 0.000 0.518 75 P HA -0.109 nan 4.420 nan 0.000 0.248 75 P C -0.202 177.054 177.300 -0.074 0.000 1.550 75 P CA 0.312 63.294 63.100 -0.197 0.000 1.252 75 P CB -0.529 31.011 31.700 -0.267 0.000 1.869 76 T N 2.630 117.236 114.554 0.086 0.000 2.775 76 T HA 0.323 4.673 4.350 0.000 0.000 0.281 76 T C 0.672 175.415 174.700 0.071 0.000 0.908 76 T CA -0.432 61.753 62.100 0.142 0.000 1.123 76 T CB -0.494 68.475 68.868 0.168 0.000 0.879 76 T HN 0.365 nan 8.240 nan 0.000 0.547 77 A N 3.988 126.838 122.820 0.051 0.000 2.520 77 A HA 0.543 4.863 4.320 0.000 0.000 0.235 77 A C 1.677 179.277 177.584 0.027 0.000 1.065 77 A CA 0.369 52.421 52.037 0.025 0.000 0.764 77 A CB -0.639 18.370 19.000 0.016 0.000 1.002 77 A HN 1.865 nan 8.150 nan 0.000 0.502 78 G N 0.457 109.269 108.800 0.019 0.000 2.956 78 G HA2 -0.245 3.715 3.960 0.000 0.000 0.210 78 G HA3 -0.245 3.715 3.960 0.000 0.000 0.210 78 G C 0.931 175.850 174.900 0.032 0.000 1.316 78 G CA 0.489 45.600 45.100 0.018 0.000 0.819 78 G HN 1.434 nan 8.290 nan 0.000 0.544 79 S N 2.100 117.827 115.700 0.046 0.000 3.456 79 S HA 0.460 4.930 4.470 0.000 0.000 0.229 79 S C 1.586 176.221 174.600 0.058 0.000 1.416 79 S CA 1.222 59.460 58.200 0.063 0.000 1.197 79 S CB -0.390 62.865 63.200 0.091 0.000 1.201 79 S HN 1.463 nan 8.310 nan 0.000 0.479 80 S N 0.677 116.401 115.700 0.041 0.000 2.309 80 S HA -0.347 4.123 4.470 0.000 0.000 0.224 80 S C 1.208 175.819 174.600 0.019 0.000 1.262 80 S CA 1.528 59.746 58.200 0.030 0.000 1.753 80 S CB -1.567 61.655 63.200 0.036 0.000 2.374 80 S HN 0.806 nan 8.310 nan 0.000 0.639 81 S N -0.686 115.028 115.700 0.023 0.000 3.017 81 S HA -0.289 4.181 4.470 0.000 0.000 0.283 81 S C 0.715 175.315 174.600 -0.001 0.000 1.304 81 S CA 1.530 59.732 58.200 0.003 0.000 1.224 81 S CB -1.668 61.521 63.200 -0.018 0.000 1.480 81 S HN 2.048 nan 8.310 nan 0.000 0.698 82 A N -0.428 122.398 122.820 0.010 0.000 2.704 82 A HA 0.639 4.960 4.320 0.000 0.000 0.260 82 A C 0.368 177.963 177.584 0.019 0.000 1.144 82 A CA 0.751 52.792 52.037 0.007 0.000 0.985 82 A CB 0.626 19.628 19.000 0.004 0.000 1.256 82 A HN 0.456 nan 8.150 nan 0.000 0.598 83 S N 0.144 115.864 115.700 0.034 0.000 2.655 83 S HA 0.310 4.780 4.470 0.000 0.000 0.265 83 S C 0.265 174.896 174.600 0.053 0.000 1.240 83 S CA -0.357 57.876 58.200 0.056 0.000 0.986 83 S CB 0.624 63.872 63.200 0.080 0.000 0.985 83 S HN 0.515 nan 8.310 nan 0.000 0.562 84 E N 0.624 120.871 120.200 0.079 0.000 2.452 84 E HA 0.330 4.680 4.350 0.000 0.000 0.261 84 E C -0.055 176.526 176.600 -0.031 0.000 0.987 84 E CA -0.227 56.198 56.400 0.042 0.000 0.926 84 E CB 0.496 30.271 29.700 0.126 0.000 0.934 84 E HN 0.621 nan 8.360 nan 0.000 0.452 85 A N 4.121 126.857 122.820 -0.140 0.000 2.239 85 A HA 0.302 4.622 4.320 0.000 0.000 0.303 85 A C -0.219 177.048 177.584 -0.529 0.000 1.114 85 A CA -0.407 51.519 52.037 -0.186 0.000 0.871 85 A CB 0.816 19.768 19.000 -0.081 0.000 1.201 85 A HN 0.761 nan 8.150 nan 0.000 0.506 86 Q N 0.074 119.597 119.800 -0.462 0.000 2.195 86 Q HA 0.423 4.763 4.340 0.000 0.000 0.250 86 Q C -2.356 173.452 176.000 -0.320 0.000 0.988 86 Q CA -1.907 53.486 55.803 -0.684 0.000 0.911 86 Q CB 1.028 29.229 28.738 -0.896 0.000 1.258 86 Q HN 0.554 nan 8.270 nan 0.000 0.475 87 P HA 0.093 nan 4.420 nan 0.000 0.274 87 P C -1.114 176.018 177.300 -0.280 0.000 1.237 87 P CA 0.103 63.066 63.100 -0.227 0.000 0.793 87 P CB 0.532 32.183 31.700 -0.081 0.000 0.977 88 F N 0.904 120.823 119.950 -0.051 0.000 2.408 88 F HA 0.487 5.014 4.527 0.000 0.000 0.325 88 F C 0.528 176.351 175.800 0.037 0.000 1.082 88 F CA 0.068 58.064 58.000 -0.007 0.000 1.032 88 F CB 0.862 39.845 39.000 -0.029 0.000 1.259 88 F HN 0.300 nan 8.300 nan 0.000 0.503 89 Y N 1.020 121.413 120.300 0.155 0.000 2.588 89 Y HA 0.687 5.237 4.550 0.000 0.000 0.343 89 Y C -1.787 174.170 175.900 0.095 0.000 1.065 89 Y CA -1.513 56.608 58.100 0.034 0.000 1.038 89 Y CB 1.682 40.100 38.460 -0.070 0.000 1.297 89 Y HN 0.466 nan 8.280 nan 0.000 0.467 90 V N 2.264 121.540 119.914 -1.063 0.000 2.851 90 V HA 0.369 4.489 4.120 0.000 0.000 0.307 90 V C -0.343 175.197 176.094 -0.923 0.000 1.129 90 V CA -0.487 61.315 62.300 -0.830 0.000 0.932 90 V CB 1.696 33.335 31.823 -0.308 0.000 1.024 90 V HN 0.985 nan 8.190 nan 0.000 0.426 91 N N 2.028 120.382 118.700 -0.576 0.000 2.515 91 N HA -0.008 4.732 4.740 0.000 0.000 0.185 91 N C 0.393 175.893 175.510 -0.017 0.000 1.109 91 N CA 0.888 53.895 53.050 -0.070 0.000 0.903 91 N CB 0.317 38.865 38.487 0.103 0.000 0.969 91 N HN 1.178 nan 8.380 nan 0.000 0.450 92 S N -0.632 115.011 115.700 -0.094 0.000 2.537 92 S HA 0.538 5.008 4.470 0.000 0.000 0.270 92 S C -3.314 171.211 174.600 -0.126 0.000 1.142 92 S CA -1.161 56.975 58.200 -0.106 0.000 0.870 92 S CB 2.663 65.796 63.200 -0.113 0.000 1.112 92 S HN -0.015 nan 8.310 nan 0.000 0.466 93 P HA 0.362 nan 4.420 nan 0.000 0.279 93 P C -0.343 176.840 177.300 -0.195 0.000 1.252 93 P CA 0.146 63.043 63.100 -0.339 0.000 0.811 93 P CB 0.157 31.548 31.700 -0.516 0.000 1.035 94 Y N -0.312 120.017 120.300 0.048 0.000 2.760 94 Y HA -0.262 4.288 4.550 0.000 0.000 0.484 94 Y C 1.135 177.123 175.900 0.146 0.000 1.172 94 Y CA 2.072 60.239 58.100 0.110 0.000 2.808 94 Y CB -2.481 36.047 38.460 0.114 0.000 0.948 94 Y HN 0.952 nan 8.280 nan 0.000 0.551 95 G N 0.178 109.172 108.800 0.323 0.000 3.160 95 G HA2 0.362 4.322 3.960 0.000 0.000 0.573 95 G HA3 0.362 4.322 3.960 0.000 0.000 0.573 95 G C -1.111 174.141 174.900 0.587 0.000 1.286 95 G CA -0.468 44.914 45.100 0.470 0.000 1.151 95 G HN 0.514 nan 8.290 nan 0.000 0.555 96 I N 1.244 122.098 120.570 0.475 0.000 2.647 96 I HA 0.761 4.932 4.170 0.000 0.000 0.295 96 I C 0.045 176.313 176.117 0.252 0.000 1.078 96 I CA -0.945 60.578 61.300 0.372 0.000 1.048 96 I CB 2.784 40.890 38.000 0.176 0.000 1.239 96 I HN 0.498 nan 8.210 nan 0.000 0.421 97 T N 6.151 120.811 114.554 0.177 0.000 2.909 97 T HA 0.777 5.128 4.350 0.000 0.000 0.299 97 T C -1.658 173.113 174.700 0.119 0.000 1.073 97 T CA -0.470 61.645 62.100 0.025 0.000 0.999 97 T CB 1.637 70.302 68.868 -0.338 0.000 1.098 97 T HN 0.535 nan 8.240 nan 0.000 0.477 98 L N 3.433 124.726 121.223 0.117 0.000 2.482 98 L HA 0.902 5.242 4.340 0.000 0.000 0.263 98 L C -1.289 175.634 176.870 0.089 0.000 0.957 98 L CA -0.519 54.392 54.840 0.119 0.000 0.836 98 L CB 1.778 43.924 42.059 0.145 0.000 1.324 98 L HN 0.813 nan 8.230 nan 0.000 0.406 99 A N 3.231 126.090 122.820 0.066 0.000 2.342 99 A HA 0.764 5.084 4.320 0.000 0.000 0.323 99 A C -1.524 176.148 177.584 0.146 0.000 1.125 99 A CA -0.391 51.680 52.037 0.056 0.000 0.785 99 A CB 0.952 20.007 19.000 0.092 0.000 1.221 99 A HN 0.889 nan 8.150 nan 0.000 0.463 100 H N 2.291 121.382 119.070 0.035 0.000 2.996 100 H HA 0.423 4.979 4.556 0.000 0.000 0.368 100 H C -1.972 173.454 175.328 0.163 0.000 1.185 100 H CA -0.531 55.551 56.048 0.056 0.000 1.160 100 H CB 1.651 31.411 29.762 -0.002 0.000 1.820 100 H HN 0.767 nan 8.280 nan 0.000 0.547 101 N N 2.623 121.099 118.700 -0.374 0.000 2.442 101 N HA 0.505 5.246 4.740 0.000 0.000 0.274 101 N C -0.537 174.652 175.510 -0.535 0.000 1.002 101 N CA 0.250 53.090 53.050 -0.351 0.000 0.910 101 N CB 1.459 39.878 38.487 -0.113 0.000 1.244 101 N HN 0.992 nan 8.380 nan 0.000 0.492 102 G N 2.227 110.727 108.800 -0.500 0.000 2.373 102 G HA2 0.056 4.016 3.960 0.000 0.000 0.250 102 G HA3 0.056 4.016 3.960 0.000 0.000 0.250 102 G C -1.914 173.030 174.900 0.074 0.000 1.304 102 G CA -0.819 44.185 45.100 -0.160 0.000 0.948 102 G HN 0.698 nan 8.290 nan 0.000 0.474 103 N N -1.108 117.768 118.700 0.294 0.000 2.635 103 N HA 0.457 5.198 4.740 0.000 0.000 0.260 103 N C -1.237 174.453 175.510 0.300 0.000 1.078 103 N CA -0.621 52.613 53.050 0.306 0.000 1.012 103 N CB 1.319 39.941 38.487 0.225 0.000 1.677 103 N HN 0.602 nan 8.380 nan 0.000 0.514 104 L N 2.473 123.829 121.223 0.221 0.000 2.276 104 L HA 0.386 4.726 4.340 0.000 0.000 0.286 104 L C 1.223 178.130 176.870 0.062 0.000 1.061 104 L CA -0.502 54.423 54.840 0.142 0.000 0.807 104 L CB 1.339 43.438 42.059 0.067 0.000 1.177 104 L HN 0.822 nan 8.230 nan 0.000 0.429 105 T N -2.368 112.145 114.554 -0.069 0.000 3.148 105 T HA -0.026 4.324 4.350 0.000 0.000 0.253 105 T C 0.841 175.307 174.700 -0.391 0.000 1.134 105 T CA 0.100 61.904 62.100 -0.494 0.000 1.051 105 T CB -0.407 68.170 68.868 -0.484 0.000 0.959 105 T HN 0.682 nan 8.240 nan 0.000 0.525 106 N N 0.385 119.036 118.700 -0.082 0.000 2.497 106 N HA 0.451 5.192 4.740 0.000 0.000 0.284 106 N C 1.060 176.622 175.510 0.088 0.000 1.459 106 N CA -0.004 53.060 53.050 0.024 0.000 0.899 106 N CB 0.192 38.688 38.487 0.015 0.000 1.316 106 N HN 0.247 nan 8.380 nan 0.000 0.500 107 A N 0.638 123.533 122.820 0.123 0.000 1.883 107 A HA -0.252 4.068 4.320 0.000 0.000 0.217 107 A C 2.105 179.780 177.584 0.153 0.000 1.186 107 A CA 1.807 53.911 52.037 0.112 0.000 0.624 107 A CB -1.063 18.004 19.000 0.111 0.000 0.822 107 A HN 0.558 nan 8.150 nan 0.000 0.444 108 H N -0.104 119.066 119.070 0.165 0.000 2.290 108 H HA -0.178 4.378 4.556 0.000 0.000 0.298 108 H C 2.045 177.454 175.328 0.136 0.000 1.087 108 H CA 2.209 58.382 56.048 0.208 0.000 1.291 108 H CB -0.248 29.752 29.762 0.396 0.000 1.369 108 H HN 0.651 nan 8.280 nan 0.000 0.492 109 E N -0.059 120.203 120.200 0.104 0.000 2.118 109 E HA -0.181 4.169 4.350 0.000 0.000 0.195 109 E C 2.242 178.827 176.600 -0.025 0.000 0.992 109 E CA 1.390 57.800 56.400 0.016 0.000 0.804 109 E CB -0.174 29.571 29.700 0.075 0.000 0.741 109 E HN 0.569 nan 8.360 nan 0.000 0.458 110 L N 0.657 121.878 121.223 -0.002 0.000 2.056 110 L HA -0.170 4.170 4.340 0.000 0.000 0.207 110 L C 2.918 179.769 176.870 -0.032 0.000 1.078 110 L CA 1.758 56.588 54.840 -0.017 0.000 0.749 110 L CB -0.529 41.521 42.059 -0.014 0.000 0.901 110 L HN 0.224 nan 8.230 nan 0.000 0.433 111 R N 0.427 120.901 120.500 -0.044 0.000 2.189 111 R HA -0.165 4.175 4.340 0.000 0.000 0.218 111 R C 2.091 178.384 176.300 -0.011 0.000 1.074 111 R CA 1.206 57.283 56.100 -0.038 0.000 0.991 111 R CB -0.280 29.992 30.300 -0.046 0.000 0.883 111 R HN 0.254 nan 8.270 nan 0.000 0.457 112 K N 1.318 121.678 120.400 -0.067 0.000 2.031 112 K HA -0.055 4.265 4.320 0.000 0.000 0.205 112 K C 1.829 178.449 176.600 0.034 0.000 1.049 112 K CA 1.218 57.493 56.287 -0.020 0.000 0.939 112 K CB 0.110 32.534 32.500 -0.126 0.000 0.717 112 K HN 0.106 nan 8.250 nan 0.000 0.438 113 K N 0.624 121.019 120.400 -0.008 0.000 2.057 113 K HA -0.119 4.201 4.320 0.000 0.000 0.207 113 K C 2.179 178.766 176.600 -0.020 0.000 1.049 113 K CA 1.295 57.572 56.287 -0.018 0.000 0.931 113 K CB -0.132 32.353 32.500 -0.024 0.000 0.714 113 K HN 0.153 nan 8.250 nan 0.000 0.440 114 L N -0.013 121.209 121.223 -0.001 0.000 2.042 114 L HA -0.216 4.124 4.340 0.000 0.000 0.210 114 L C 2.380 179.270 176.870 0.033 0.000 1.076 114 L CA 1.107 55.947 54.840 0.001 0.000 0.749 114 L CB -0.392 41.667 42.059 0.001 0.000 0.893 114 L HN 0.133 nan 8.230 nan 0.000 0.432 115 F N 0.944 120.866 119.950 -0.045 0.000 2.075 115 F HA -0.211 4.316 4.527 0.000 0.000 0.297 115 F C 2.393 178.177 175.800 -0.027 0.000 1.113 115 F CA 1.816 59.800 58.000 -0.027 0.000 1.218 115 F CB -0.269 38.717 39.000 -0.022 0.000 0.984 115 F HN 0.037 nan 8.300 nan 0.000 0.472 116 E N -0.090 119.931 120.200 -0.298 0.000 2.028 116 E HA -0.198 4.153 4.350 0.000 0.000 0.191 116 E C 2.161 178.606 176.600 -0.259 0.000 0.988 116 E CA 1.816 58.011 56.400 -0.342 0.000 0.799 116 E CB -0.164 29.448 29.700 -0.146 0.000 0.755 116 E HN 0.531 nan 8.360 nan 0.000 0.447 117 E N 0.145 120.249 120.200 -0.161 0.000 2.028 117 E HA -0.074 4.276 4.350 0.000 0.000 0.190 117 E C 1.703 178.224 176.600 -0.132 0.000 0.984 117 E CA 0.797 57.120 56.400 -0.128 0.000 0.800 117 E CB 0.204 29.851 29.700 -0.089 0.000 0.758 117 E HN -0.021 nan 8.360 nan 0.000 0.448 118 K N -0.289 120.040 120.400 -0.118 0.000 2.353 118 K HA 0.184 4.504 4.320 0.000 0.000 0.195 118 K C 0.077 176.620 176.600 -0.094 0.000 1.031 118 K CA -0.015 56.213 56.287 -0.098 0.000 1.079 118 K CB 0.982 33.437 32.500 -0.075 0.000 0.857 118 K HN -0.045 nan 8.250 nan 0.000 0.535 119 R N 0.816 121.237 120.500 -0.132 0.000 3.776 119 R HA -0.139 4.201 4.340 0.000 0.000 0.312 119 R C -0.644 175.698 176.300 0.071 0.000 1.181 119 R CA 0.478 56.529 56.100 -0.081 0.000 0.836 119 R CB -2.461 27.789 30.300 -0.082 0.000 1.324 119 R HN 0.307 nan 8.270 nan 0.000 0.501 120 R N 1.177 121.722 120.500 0.074 0.000 2.216 120 R HA 0.172 4.512 4.340 0.000 0.000 0.332 120 R C 0.320 176.711 176.300 0.153 0.000 1.056 120 R CA -0.605 55.543 56.100 0.080 0.000 0.901 120 R CB 0.725 31.029 30.300 0.007 0.000 1.039 120 R HN 0.131 nan 8.270 nan 0.000 0.456 121 H N 3.181 122.288 119.070 0.062 0.000 2.610 121 H HA 0.173 4.729 4.556 0.000 0.000 0.336 121 H C -0.477 174.844 175.328 -0.011 0.000 1.087 121 H CA -0.181 55.890 56.048 0.039 0.000 1.405 121 H CB 0.634 30.412 29.762 0.027 0.000 1.460 121 H HN 0.345 nan 8.280 nan 0.000 0.538 122 I N 5.537 125.699 120.570 -0.680 0.000 2.382 122 I HA 0.044 4.214 4.170 0.000 0.000 0.285 122 I C 0.741 176.404 176.117 -0.757 0.000 1.007 122 I CA -0.278 60.701 61.300 -0.534 0.000 1.142 122 I CB 0.920 38.747 38.000 -0.289 0.000 1.289 122 I HN 0.795 nan 8.210 nan 0.000 0.453 123 N N 3.292 121.665 118.700 -0.544 0.000 2.376 123 N HA -0.060 4.681 4.740 0.000 0.000 0.177 123 N C 0.865 176.327 175.510 -0.079 0.000 1.024 123 N CA 0.677 53.587 53.050 -0.233 0.000 0.893 123 N CB 0.500 39.008 38.487 0.035 0.000 0.980 123 N HN 0.762 nan 8.380 nan 0.000 0.439 124 T N -4.092 110.404 114.554 -0.096 0.000 2.889 124 T HA 0.274 4.624 4.350 0.000 0.000 0.278 124 T C 1.153 175.829 174.700 -0.041 0.000 0.995 124 T CA -0.105 61.983 62.100 -0.019 0.000 0.966 124 T CB 1.021 69.929 68.868 0.066 0.000 1.237 124 T HN 0.098 nan 8.240 nan 0.000 0.591 125 T N -2.271 112.289 114.554 0.011 0.000 3.086 125 T HA 0.247 4.597 4.350 0.000 0.000 0.250 125 T C 0.986 175.699 174.700 0.022 0.000 1.074 125 T CA -0.122 61.991 62.100 0.022 0.000 0.988 125 T CB -0.175 68.720 68.868 0.045 0.000 0.988 125 T HN 0.566 nan 8.240 nan 0.000 0.530 126 S N 2.924 118.636 115.700 0.019 0.000 2.516 126 S HA 0.115 4.585 4.470 0.000 0.000 0.282 126 S C 0.834 175.401 174.600 -0.055 0.000 1.286 126 S CA -0.483 57.741 58.200 0.039 0.000 1.066 126 S CB 0.138 63.417 63.200 0.131 0.000 0.884 126 S HN 0.590 nan 8.310 nan 0.000 0.491 127 D N 3.357 123.760 120.400 0.004 0.000 2.352 127 D HA 0.029 4.669 4.640 0.000 0.000 0.232 127 D C 1.226 177.430 176.300 -0.160 0.000 1.055 127 D CA 0.314 54.286 54.000 -0.047 0.000 0.891 127 D CB 0.056 40.872 40.800 0.028 0.000 0.897 127 D HN 0.350 nan 8.370 nan 0.000 0.529 128 S N -0.129 115.475 115.700 -0.159 0.000 2.439 128 S HA -0.086 4.384 4.470 0.000 0.000 0.224 128 S C 1.666 176.051 174.600 -0.358 0.000 1.029 128 S CA 0.226 58.270 58.200 -0.260 0.000 0.946 128 S CB -0.057 63.193 63.200 0.083 0.000 0.797 128 S HN 0.387 nan 8.310 nan 0.000 0.504 129 E N 1.201 121.021 120.200 -0.632 0.000 2.150 129 E HA -0.065 4.285 4.350 0.000 0.000 0.193 129 E C 1.766 178.133 176.600 -0.388 0.000 0.985 129 E CA 0.680 56.598 56.400 -0.803 0.000 0.814 129 E CB -0.053 29.037 29.700 -1.017 0.000 0.752 129 E HN 0.451 nan 8.360 nan 0.000 0.466 130 I N 0.770 121.164 120.570 -0.293 0.000 2.133 130 I HA -0.287 3.883 4.170 0.000 0.000 0.238 130 I C 2.604 178.627 176.117 -0.157 0.000 1.074 130 I CA 0.779 61.968 61.300 -0.185 0.000 1.342 130 I CB -0.340 37.578 38.000 -0.137 0.000 1.053 130 I HN 0.235 nan 8.210 nan 0.000 0.404 131 L N 0.463 121.565 121.223 -0.201 0.000 1.990 131 L HA -0.290 4.050 4.340 0.000 0.000 0.213 131 L C 2.645 179.486 176.870 -0.048 0.000 1.072 131 L CA 1.534 56.269 54.840 -0.174 0.000 0.755 131 L CB -0.383 41.473 42.059 -0.337 0.000 0.889 131 L HN 0.257 nan 8.230 nan 0.000 0.432 132 L N -0.072 121.117 121.223 -0.057 0.000 2.043 132 L HA -0.301 4.039 4.340 0.000 0.000 0.212 132 L C 2.150 179.053 176.870 0.055 0.000 1.075 132 L CA 1.972 56.847 54.840 0.059 0.000 0.752 132 L CB -0.928 41.142 42.059 0.019 0.000 0.891 132 L HN 0.335 nan 8.230 nan 0.000 0.432 133 N N -0.332 118.345 118.700 -0.038 0.000 2.216 133 N HA -0.109 4.631 4.740 0.000 0.000 0.183 133 N C 1.824 177.323 175.510 -0.019 0.000 1.017 133 N CA 1.625 54.647 53.050 -0.046 0.000 0.861 133 N CB -0.019 38.418 38.487 -0.083 0.000 0.986 133 N HN 0.369 nan 8.380 nan 0.000 0.428 134 I N 0.723 121.291 120.570 -0.003 0.000 2.179 134 I HA -0.234 3.936 4.170 0.000 0.000 0.242 134 I C 2.211 178.372 176.117 0.073 0.000 1.088 134 I CA 0.907 62.212 61.300 0.009 0.000 1.357 134 I CB -1.162 36.836 38.000 -0.005 0.000 1.051 134 I HN 0.014 nan 8.210 nan 0.000 0.409 135 F N 2.219 122.134 119.950 -0.057 0.000 2.171 135 F HA -0.112 4.415 4.527 0.000 0.000 0.300 135 F C 2.466 178.254 175.800 -0.020 0.000 1.090 135 F CA 1.174 59.150 58.000 -0.039 0.000 1.293 135 F CB -0.457 38.550 39.000 0.010 0.000 1.013 135 F HN 0.019 nan 8.300 nan 0.000 0.486 136 A N -0.246 122.512 122.820 -0.102 0.000 1.898 136 A HA -0.168 4.153 4.320 0.000 0.000 0.216 136 A C 2.427 179.905 177.584 -0.177 0.000 1.181 136 A CA 2.053 53.965 52.037 -0.209 0.000 0.620 136 A CB -1.446 17.487 19.000 -0.110 0.000 0.819 136 A HN 0.498 nan 8.150 nan 0.000 0.442 137 S N -0.302 115.327 115.700 -0.117 0.000 2.382 137 S HA -0.180 4.290 4.470 0.000 0.000 0.228 137 S C 1.649 176.167 174.600 -0.138 0.000 1.027 137 S CA 1.503 59.635 58.200 -0.114 0.000 0.991 137 S CB -0.377 62.772 63.200 -0.085 0.000 0.823 137 S HN 0.512 nan 8.310 nan 0.000 0.469 138 E N 1.547 121.671 120.200 -0.126 0.000 2.106 138 E HA 0.041 4.391 4.350 0.000 0.000 0.192 138 E C 2.083 178.571 176.600 -0.187 0.000 0.984 138 E CA 0.888 57.208 56.400 -0.134 0.000 0.806 138 E CB -0.487 29.193 29.700 -0.033 0.000 0.750 138 E HN 0.597 nan 8.360 nan 0.000 0.458 139 L N 0.913 122.029 121.223 -0.178 0.000 2.376 139 L HA -0.117 4.223 4.340 0.000 0.000 0.219 139 L C 2.006 178.878 176.870 0.004 0.000 1.133 139 L CA 0.577 55.399 54.840 -0.030 0.000 0.816 139 L CB -0.179 41.775 42.059 -0.175 0.000 0.933 139 L HN -0.030 nan 8.230 nan 0.000 0.449 140 D N 0.277 120.603 120.400 -0.124 0.000 2.264 140 D HA -0.145 4.495 4.640 0.000 0.000 0.208 140 D C 1.765 177.964 176.300 -0.167 0.000 0.966 140 D CA 0.712 54.633 54.000 -0.133 0.000 0.864 140 D CB 0.060 40.773 40.800 -0.145 0.000 0.933 140 D HN 0.187 nan 8.370 nan 0.000 0.499 141 N N -0.464 118.045 118.700 -0.317 0.000 2.381 141 N HA -0.085 4.655 4.740 0.000 0.000 0.182 141 N C -0.181 175.054 175.510 -0.458 0.000 1.025 141 N CA 0.358 53.140 53.050 -0.447 0.000 0.888 141 N CB -0.128 37.987 38.487 -0.621 0.000 0.965 141 N HN 0.177 nan 8.380 nan 0.000 0.438 142 F N 0.764 120.749 119.950 0.057 0.000 2.396 142 F HA 0.342 4.870 4.527 0.000 0.000 0.343 142 F C 1.660 177.574 175.800 0.191 0.000 1.104 142 F CA -0.756 57.322 58.000 0.129 0.000 1.161 142 F CB 1.004 40.114 39.000 0.184 0.000 1.146 142 F HN -0.293 nan 8.300 nan 0.000 0.522 143 R N 0.795 121.524 120.500 0.382 0.000 2.043 143 R HA -0.011 4.329 4.340 0.000 0.000 0.221 143 R C 0.657 177.200 176.300 0.405 0.000 1.196 143 R CA 0.648 56.924 56.100 0.293 0.000 0.949 143 R CB -1.116 29.285 30.300 0.169 0.000 0.838 143 R HN 0.735 nan 8.270 nan 0.000 0.446 144 H N 0.170 119.339 119.070 0.165 0.000 2.998 144 H HA -0.034 4.522 4.556 0.000 0.000 0.353 144 H C -0.793 174.664 175.328 0.214 0.000 1.099 144 H CA -0.079 56.058 56.048 0.149 0.000 1.393 144 H CB -0.145 29.662 29.762 0.074 0.000 1.343 144 H HN 0.219 nan 8.280 nan 0.000 0.609 145 Y N 3.317 123.590 120.300 -0.045 0.000 2.406 145 Y HA 0.416 4.966 4.550 0.000 0.000 0.340 145 Y C -2.569 173.248 175.900 -0.138 0.000 0.975 145 Y CA -2.147 55.899 58.100 -0.089 0.000 1.056 145 Y CB 1.494 40.010 38.460 0.095 0.000 1.210 145 Y HN 0.774 nan 8.280 nan 0.000 0.448 146 P HA 0.357 nan 4.420 nan 0.000 0.279 146 P C -0.794 176.052 177.300 -0.756 0.000 1.276 146 P CA -0.544 61.892 63.100 -1.107 0.000 0.801 146 P CB 1.612 32.634 31.700 -1.130 0.000 1.127 147 L N 0.093 121.027 121.223 -0.482 0.000 2.476 147 L HA 0.189 4.529 4.340 0.000 0.000 0.264 147 L C 1.115 177.741 176.870 -0.408 0.000 1.224 147 L CA -0.163 54.350 54.840 -0.546 0.000 0.821 147 L CB -0.109 41.595 42.059 -0.592 0.000 1.101 147 L HN 0.339 nan 8.230 nan 0.000 0.488 148 E N -0.032 119.956 120.200 -0.353 0.000 2.264 148 E HA 0.319 4.669 4.350 0.000 0.000 0.260 148 E C 0.610 176.931 176.600 -0.465 0.000 0.961 148 E CA -0.356 55.870 56.400 -0.290 0.000 0.834 148 E CB 1.673 31.279 29.700 -0.157 0.000 1.230 148 E HN 0.607 nan 8.360 nan 0.000 0.412 149 A N 1.560 124.062 122.820 -0.530 0.000 1.917 149 A HA -0.255 4.065 4.320 0.000 0.000 0.219 149 A C 1.398 178.643 177.584 -0.565 0.000 1.182 149 A CA 2.489 54.069 52.037 -0.762 0.000 0.633 149 A CB -0.652 17.713 19.000 -1.057 0.000 0.819 149 A HN 0.606 nan 8.150 nan 0.000 0.448 150 D N -0.185 120.050 120.400 -0.276 0.000 2.144 150 D HA -0.144 4.497 4.640 0.000 0.000 0.199 150 D C 1.700 177.863 176.300 -0.227 0.000 0.984 150 D CA 1.550 55.493 54.000 -0.093 0.000 0.834 150 D CB -0.415 40.342 40.800 -0.072 0.000 0.955 150 D HN 0.705 nan 8.370 nan 0.000 0.465 151 N N 0.243 118.659 118.700 -0.473 0.000 2.069 151 N HA -0.105 4.635 4.740 0.000 0.000 0.191 151 N C 1.752 176.927 175.510 -0.560 0.000 1.031 151 N CA 0.734 53.257 53.050 -0.879 0.000 0.852 151 N CB -0.103 37.589 38.487 -1.324 0.000 1.018 151 N HN 0.128 nan 8.380 nan 0.000 0.423 152 I N 0.057 120.274 120.570 -0.587 0.000 2.264 152 I HA -0.255 3.916 4.170 0.000 0.000 0.248 152 I C 1.344 177.284 176.117 -0.294 0.000 1.111 152 I CA 1.117 62.114 61.300 -0.503 0.000 1.382 152 I CB -0.207 37.242 38.000 -0.917 0.000 1.060 152 I HN 0.097 nan 8.210 nan 0.000 0.418 153 F N 0.760 120.618 119.950 -0.153 0.000 2.259 153 F HA -0.057 4.470 4.527 0.000 0.000 0.298 153 F C 2.549 178.329 175.800 -0.034 0.000 1.088 153 F CA 0.880 58.833 58.000 -0.078 0.000 1.358 153 F CB -1.071 37.886 39.000 -0.072 0.000 1.040 153 F HN -0.018 nan 8.300 nan 0.000 0.505 154 A N 0.038 122.947 122.820 0.149 0.000 1.898 154 A HA -0.014 4.307 4.320 0.000 0.000 0.216 154 A C 2.466 180.156 177.584 0.176 0.000 1.181 154 A CA 1.654 53.788 52.037 0.161 0.000 0.620 154 A CB -1.227 17.899 19.000 0.209 0.000 0.819 154 A HN 0.270 nan 8.150 nan 0.000 0.442 155 A N 0.020 122.972 122.820 0.220 0.000 1.877 155 A HA -0.108 4.212 4.320 0.000 0.000 0.216 155 A C 2.127 179.811 177.584 0.167 0.000 1.186 155 A CA 1.596 53.761 52.037 0.214 0.000 0.620 155 A CB -0.625 18.516 19.000 0.234 0.000 0.822 155 A HN 0.490 nan 8.150 nan 0.000 0.443 156 I N -0.338 120.298 120.570 0.111 0.000 2.226 156 I HA -0.278 3.892 4.170 0.000 0.000 0.245 156 I C 2.980 179.036 176.117 -0.102 0.000 1.100 156 I CA 0.982 62.182 61.300 -0.167 0.000 1.374 156 I CB -0.318 37.507 38.000 -0.292 0.000 1.057 156 I HN 0.373 nan 8.210 nan 0.000 0.413 157 A N 0.785 123.610 122.820 0.008 0.000 1.883 157 A HA -0.214 4.106 4.320 0.000 0.000 0.217 157 A C 2.556 180.146 177.584 0.011 0.000 1.186 157 A CA 1.995 54.041 52.037 0.015 0.000 0.624 157 A CB -0.966 18.060 19.000 0.043 0.000 0.822 157 A HN 0.431 nan 8.150 nan 0.000 0.444 158 A N -1.061 121.775 122.820 0.027 0.000 1.940 158 A HA -0.116 4.205 4.320 0.000 0.000 0.219 158 A C 2.302 179.887 177.584 0.002 0.000 1.176 158 A CA 2.409 54.455 52.037 0.015 0.000 0.631 158 A CB -1.317 17.693 19.000 0.017 0.000 0.814 158 A HN 0.458 nan 8.150 nan 0.000 0.446 159 T N 0.227 114.778 114.554 -0.005 0.000 2.708 159 T HA -0.154 4.196 4.350 0.000 0.000 0.266 159 T C 1.726 176.406 174.700 -0.034 0.000 1.037 159 T CA 1.721 63.804 62.100 -0.029 0.000 1.146 159 T CB -0.528 68.295 68.868 -0.076 0.000 0.865 159 T HN 0.695 nan 8.240 nan 0.000 0.435 160 N N 0.275 118.959 118.700 -0.025 0.000 2.364 160 N HA -0.029 4.711 4.740 0.000 0.000 0.183 160 N C 2.073 177.617 175.510 0.057 0.000 1.022 160 N CA 0.503 53.586 53.050 0.055 0.000 0.883 160 N CB 0.028 38.559 38.487 0.074 0.000 0.965 160 N HN 0.306 nan 8.380 nan 0.000 0.438 161 R N 0.132 120.647 120.500 0.026 0.000 2.148 161 R HA 0.021 4.362 4.340 0.000 0.000 0.223 161 R C 1.687 177.999 176.300 0.019 0.000 1.088 161 R CA 0.676 56.789 56.100 0.022 0.000 0.985 161 R CB -0.029 30.277 30.300 0.011 0.000 0.880 161 R HN 0.256 nan 8.270 nan 0.000 0.451 162 L N 0.771 122.001 121.223 0.012 0.000 2.130 162 L HA 0.132 4.472 4.340 0.000 0.000 0.200 162 L C 1.419 178.296 176.870 0.011 0.000 1.075 162 L CA 0.302 55.145 54.840 0.005 0.000 0.768 162 L CB -0.173 41.881 42.059 -0.009 0.000 0.933 162 L HN 0.131 nan 8.230 nan 0.000 0.451 163 I N -1.134 119.442 120.570 0.010 0.000 2.662 163 I HA 0.375 4.545 4.170 0.000 0.000 0.291 163 I C -0.397 175.779 176.117 0.098 0.000 1.046 163 I CA -0.382 60.929 61.300 0.018 0.000 1.361 163 I CB 1.072 39.028 38.000 -0.073 0.000 1.429 163 I HN 0.098 nan 8.210 nan 0.000 0.558 164 R N 3.272 123.835 120.500 0.105 0.000 2.673 164 R HA 0.747 5.087 4.340 0.000 0.000 0.281 164 R C -0.283 176.106 176.300 0.149 0.000 0.991 164 R CA -0.199 55.975 56.100 0.122 0.000 0.896 164 R CB 2.150 32.474 30.300 0.041 0.000 1.201 164 R HN 1.135 nan 8.270 nan 0.000 0.457 165 G N 0.759 109.646 108.800 0.145 0.000 2.240 165 G HA2 0.289 4.249 3.960 0.000 0.000 0.199 165 G HA3 0.289 4.249 3.960 0.000 0.000 0.199 165 G C -1.784 173.069 174.900 -0.077 0.000 1.342 165 G CA -0.286 44.895 45.100 0.136 0.000 1.145 165 G HN 0.731 nan 8.290 nan 0.000 0.477 166 A N -0.500 122.320 122.820 0.000 0.000 2.350 166 A HA 1.040 5.360 4.320 0.000 0.000 0.324 166 A C -0.867 176.773 177.584 0.094 0.000 1.118 166 A CA 0.012 51.933 52.037 -0.193 0.000 0.783 166 A CB 1.141 20.017 19.000 -0.207 0.000 1.236 166 A HN 2.256 nan 8.150 nan 0.000 0.457 167 Y N -1.874 118.425 120.300 -0.001 0.000 2.393 167 Y HA 0.629 5.179 4.550 0.000 0.000 0.320 167 Y C -0.695 175.187 175.900 -0.030 0.000 1.241 167 Y CA -0.857 57.262 58.100 0.032 0.000 1.122 167 Y CB 0.560 39.157 38.460 0.230 0.000 1.322 167 Y HN 1.133 nan 8.280 nan 0.000 0.441 168 A N 2.426 125.286 122.820 0.067 0.000 2.311 168 A HA 0.843 5.163 4.320 0.000 0.000 0.306 168 A C -1.027 176.511 177.584 -0.078 0.000 1.189 168 A CA -0.570 51.453 52.037 -0.023 0.000 0.791 168 A CB 0.413 19.393 19.000 -0.034 0.000 1.172 168 A HN 0.955 nan 8.150 nan 0.000 0.481 169 C N 0.996 120.119 119.300 -0.295 0.000 2.707 169 C HA 0.866 5.327 4.460 0.000 0.000 0.313 169 C C -0.072 174.729 174.990 -0.314 0.000 1.209 169 C CA -0.692 58.084 59.018 -0.404 0.000 1.635 169 C CB 1.439 28.604 27.740 -0.960 0.000 2.206 169 C HN 0.828 nan 8.230 nan 0.000 0.485 170 V N 1.585 121.416 119.914 -0.137 0.000 2.841 170 V HA 0.946 5.066 4.120 0.000 0.000 0.310 170 V C -0.483 175.634 176.094 0.038 0.000 1.090 170 V CA 0.182 62.472 62.300 -0.017 0.000 0.930 170 V CB 1.768 33.608 31.823 0.029 0.000 1.014 170 V HN 1.377 nan 8.190 nan 0.000 0.425 171 A N 6.685 129.577 122.820 0.120 0.000 2.593 171 A HA 0.988 5.308 4.320 0.000 0.000 0.290 171 A C -1.293 176.444 177.584 0.255 0.000 1.126 171 A CA -0.797 51.356 52.037 0.193 0.000 0.695 171 A CB 2.275 21.431 19.000 0.260 0.000 1.290 171 A HN 0.837 nan 8.150 nan 0.000 0.414 172 M N 0.733 120.515 119.600 0.303 0.000 2.378 172 M HA 0.495 4.975 4.480 0.000 0.000 0.289 172 M C -1.647 174.919 176.300 0.444 0.000 1.136 172 M CA -0.056 55.460 55.300 0.361 0.000 0.917 172 M CB 2.202 35.029 32.600 0.379 0.000 1.669 172 M HN 0.544 nan 8.290 nan 0.000 0.461 173 I N 3.732 124.533 120.570 0.386 0.000 2.382 173 I HA 0.357 4.528 4.170 0.000 0.000 0.286 173 I C 0.003 176.322 176.117 0.337 0.000 1.002 173 I CA -0.853 60.649 61.300 0.336 0.000 1.135 173 I CB 1.448 39.509 38.000 0.101 0.000 1.288 173 I HN 0.524 nan 8.210 nan 0.000 0.448 174 I N 5.534 126.278 120.570 0.291 0.000 2.919 174 I HA -0.062 4.108 4.170 0.000 0.000 0.303 174 I C 1.575 177.856 176.117 0.273 0.000 1.221 174 I CA 1.145 62.523 61.300 0.129 0.000 1.444 174 I CB -0.390 37.615 38.000 0.008 0.000 1.331 174 I HN 1.018 nan 8.210 nan 0.000 0.572 175 G N 4.848 113.726 108.800 0.131 0.000 2.168 175 G HA2 -0.309 3.652 3.960 0.000 0.000 0.263 175 G HA3 -0.309 3.652 3.960 0.000 0.000 0.263 175 G C 0.527 175.288 174.900 -0.233 0.000 0.977 175 G CA 0.933 46.045 45.100 0.019 0.000 0.659 175 G HN 0.809 nan 8.290 nan 0.000 0.533 176 H N -1.548 117.551 119.070 0.047 0.000 1.955 176 H HA 0.516 5.073 4.556 0.000 0.000 0.196 176 H C 1.482 176.918 175.328 0.180 0.000 0.891 176 H CA 1.335 57.434 56.048 0.084 0.000 1.001 176 H CB 0.664 30.442 29.762 0.026 0.000 1.195 176 H HN 1.246 nan 8.280 nan 0.000 0.384 177 G N -0.009 109.003 108.800 0.354 0.000 2.334 177 G HA2 0.105 4.065 3.960 0.000 0.000 0.249 177 G HA3 0.105 4.065 3.960 0.000 0.000 0.249 177 G C -1.470 173.611 174.900 0.303 0.000 1.327 177 G CA -0.380 44.866 45.100 0.244 0.000 0.979 177 G HN 0.193 nan 8.290 nan 0.000 0.471 178 M N 0.859 120.597 119.600 0.231 0.000 2.436 178 M HA 0.710 5.190 4.480 0.000 0.000 0.331 178 M C -0.463 176.029 176.300 0.320 0.000 1.135 178 M CA -1.045 54.405 55.300 0.250 0.000 0.987 178 M CB 1.949 34.652 32.600 0.171 0.000 1.687 178 M HN 1.355 nan 8.290 nan 0.000 0.445 179 V N 1.708 121.808 119.914 0.311 0.000 2.789 179 V HA 1.035 5.155 4.120 0.000 0.000 0.311 179 V C -1.420 174.825 176.094 0.252 0.000 1.073 179 V CA -0.480 62.012 62.300 0.320 0.000 0.921 179 V CB 1.481 33.488 31.823 0.305 0.000 1.009 179 V HN 1.009 nan 8.190 nan 0.000 0.426 180 A N 5.161 128.137 122.820 0.260 0.000 2.398 180 A HA 1.012 5.332 4.320 0.000 0.000 0.301 180 A C -0.975 176.776 177.584 0.279 0.000 1.041 180 A CA -0.520 51.618 52.037 0.168 0.000 0.711 180 A CB 1.361 20.433 19.000 0.122 0.000 1.240 180 A HN 2.030 nan 8.150 nan 0.000 0.420 181 F N 0.038 120.036 119.950 0.081 0.000 2.664 181 F HA 0.909 5.436 4.527 0.000 0.000 0.317 181 F C -0.561 175.314 175.800 0.126 0.000 1.108 181 F CA -1.059 57.000 58.000 0.098 0.000 0.957 181 F CB 1.534 40.578 39.000 0.075 0.000 1.365 181 F HN 0.648 nan 8.300 nan 0.000 0.475 182 R N 1.244 121.947 120.500 0.339 0.000 2.725 182 R HA 0.255 4.595 4.340 0.000 0.000 0.277 182 R C -1.257 175.094 176.300 0.086 0.000 0.987 182 R CA -0.800 55.387 56.100 0.144 0.000 0.901 182 R CB 1.741 32.075 30.300 0.057 0.000 1.207 182 R HN 0.980 nan 8.270 nan 0.000 0.463 183 D N 3.393 123.604 120.400 -0.316 0.000 2.362 183 D HA -0.000 4.640 4.640 0.000 0.000 0.238 183 D C -1.842 174.304 176.300 -0.256 0.000 1.212 183 D CA -1.141 52.457 54.000 -0.669 0.000 0.902 183 D CB 0.893 40.953 40.800 -1.234 0.000 1.180 183 D HN 0.225 nan 8.370 nan 0.000 0.445 184 P HA -0.099 nan 4.420 nan 0.000 0.219 184 P C 0.295 177.531 177.300 -0.106 0.000 1.146 184 P CA 1.250 64.296 63.100 -0.089 0.000 0.808 184 P CB 0.084 31.754 31.700 -0.050 0.000 0.779 185 N N -1.614 116.990 118.700 -0.159 0.000 2.268 185 N HA 0.209 4.949 4.740 0.000 0.000 0.204 185 N C 0.734 176.166 175.510 -0.130 0.000 1.124 185 N CA 0.350 53.317 53.050 -0.138 0.000 0.838 185 N CB -0.405 37.982 38.487 -0.166 0.000 0.994 185 N HN -0.057 nan 8.380 nan 0.000 0.489 186 G N 0.970 109.692 108.800 -0.130 0.000 2.422 186 G HA2 -0.306 3.654 3.960 0.000 0.000 0.301 186 G HA3 -0.306 3.654 3.960 0.000 0.000 0.301 186 G C 0.799 175.653 174.900 -0.075 0.000 0.981 186 G CA 0.551 45.598 45.100 -0.089 0.000 0.994 186 G HN 0.378 nan 8.290 nan 0.000 0.514 187 I N -0.547 119.941 120.570 -0.136 0.000 2.130 187 I HA 0.048 4.219 4.170 0.000 0.000 0.234 187 I C 1.861 177.950 176.117 -0.046 0.000 1.067 187 I CA 0.744 61.986 61.300 -0.097 0.000 1.339 187 I CB -0.226 37.641 38.000 -0.222 0.000 1.073 187 I HN 0.121 nan 8.210 nan 0.000 0.405 188 R N 2.383 122.831 120.500 -0.087 0.000 2.543 188 R HA 0.203 4.544 4.340 0.000 0.000 0.277 188 R C -2.245 174.040 176.300 -0.026 0.000 1.074 188 R CA -1.648 54.418 56.100 -0.056 0.000 1.076 188 R CB -0.468 29.786 30.300 -0.077 0.000 0.993 188 R HN 0.101 nan 8.270 nan 0.000 0.459 189 P HA 0.229 nan 4.420 nan 0.000 0.275 189 P C -0.801 176.518 177.300 0.032 0.000 1.228 189 P CA -0.399 62.718 63.100 0.029 0.000 0.786 189 P CB 0.985 32.705 31.700 0.033 0.000 0.927 190 L N 3.181 124.437 121.223 0.055 0.000 2.705 190 L HA 0.364 4.704 4.340 0.000 0.000 0.260 190 L C -1.134 175.782 176.870 0.076 0.000 0.921 190 L CA -0.730 54.142 54.840 0.053 0.000 0.948 190 L CB 1.765 43.843 42.059 0.032 0.000 1.427 190 L HN 0.312 nan 8.230 nan 0.000 0.432 191 V N 1.922 121.885 119.914 0.081 0.000 3.001 191 V HA 0.817 4.937 4.120 0.000 0.000 0.314 191 V C -1.138 174.951 176.094 -0.009 0.000 1.099 191 V CA -0.926 61.410 62.300 0.059 0.000 0.989 191 V CB 1.937 33.883 31.823 0.206 0.000 1.040 191 V HN 0.799 nan 8.190 nan 0.000 0.434 192 L N 2.181 123.334 121.223 -0.118 0.000 2.334 192 L HA 1.059 5.399 4.340 0.000 0.000 0.276 192 L C 0.172 176.973 176.870 -0.114 0.000 1.014 192 L CA 0.475 55.279 54.840 -0.060 0.000 0.815 192 L CB 1.508 43.551 42.059 -0.027 0.000 1.268 192 L HN 1.224 nan 8.230 nan 0.000 0.428 193 G N 2.784 111.621 108.800 0.061 0.000 2.708 193 G HA2 0.710 4.670 3.960 0.000 0.000 0.289 193 G HA3 0.710 4.670 3.960 0.000 0.000 0.289 193 G C -1.906 173.158 174.900 0.273 0.000 1.416 193 G CA -0.686 44.491 45.100 0.129 0.000 0.829 193 G HN 0.774 nan 8.290 nan 0.000 0.480 194 K N -0.891 119.622 120.400 0.189 0.000 2.533 194 K HA 0.816 5.136 4.320 0.000 0.000 0.272 194 K C -0.981 175.393 176.600 -0.378 0.000 0.985 194 K CA -1.055 55.161 56.287 -0.118 0.000 0.876 194 K CB 2.267 34.520 32.500 -0.412 0.000 1.452 194 K HN 0.559 nan 8.250 nan 0.000 0.439 195 R N 1.528 121.596 120.500 -0.721 0.000 2.531 195 R HA 0.221 4.562 4.340 0.000 0.000 0.293 195 R C -1.518 174.483 176.300 -0.500 0.000 1.124 195 R CA -0.449 55.187 56.100 -0.773 0.000 0.945 195 R CB 1.148 30.522 30.300 -1.542 0.000 1.195 195 R HN 0.892 nan 8.270 nan 0.000 0.433 196 D N 6.564 126.770 120.400 -0.324 0.000 2.336 196 D HA 0.088 4.728 4.640 0.000 0.000 0.249 196 D C 1.547 177.737 176.300 -0.183 0.000 1.213 196 D CA -0.308 53.556 54.000 -0.228 0.000 0.870 196 D CB 1.235 41.940 40.800 -0.160 0.000 1.076 196 D HN 0.410 nan 8.370 nan 0.000 0.483 197 I N 1.601 122.075 120.570 -0.161 0.000 2.546 197 I HA -0.110 4.061 4.170 0.000 0.000 0.255 197 I C 0.781 176.850 176.117 -0.081 0.000 1.163 197 I CA 1.178 62.410 61.300 -0.114 0.000 1.457 197 I CB -1.051 36.895 38.000 -0.091 0.000 1.092 197 I HN 0.463 nan 8.210 nan 0.000 0.434 198 D N -2.139 118.215 120.400 -0.077 0.000 2.879 198 D HA 0.037 4.678 4.640 0.000 0.000 0.346 198 D C 0.351 176.619 176.300 -0.055 0.000 1.390 198 D CA -0.470 53.496 54.000 -0.057 0.000 0.838 198 D CB 0.342 41.116 40.800 -0.043 0.000 1.416 198 D HN -0.196 nan 8.370 nan 0.000 0.493 199 E N -0.298 119.877 120.200 -0.041 0.000 2.171 199 E HA -0.128 4.223 4.350 0.000 0.000 0.197 199 E C 0.821 177.401 176.600 -0.034 0.000 0.997 199 E CA 1.717 58.095 56.400 -0.036 0.000 0.810 199 E CB -0.386 29.297 29.700 -0.027 0.000 0.738 199 E HN 0.420 nan 8.360 nan 0.000 0.467 200 N N -0.193 118.487 118.700 -0.033 0.000 2.181 200 N HA 0.108 4.848 4.740 0.000 0.000 0.207 200 N C -0.222 175.270 175.510 -0.030 0.000 1.182 200 N CA 0.029 53.063 53.050 -0.027 0.000 0.893 200 N CB 0.886 39.361 38.487 -0.020 0.000 1.032 200 N HN 0.017 nan 8.380 nan 0.000 0.513 201 R N 0.659 121.132 120.500 -0.044 0.000 2.437 201 R HA 0.497 4.837 4.340 0.000 0.000 0.310 201 R C -0.844 175.402 176.300 -0.090 0.000 0.955 201 R CA -0.225 55.844 56.100 -0.051 0.000 0.851 201 R CB 1.872 32.144 30.300 -0.045 0.000 1.161 201 R HN -0.182 nan 8.270 nan 0.000 0.446 202 T N 2.347 116.841 114.554 -0.100 0.000 2.928 202 T HA 0.234 4.585 4.350 0.000 0.000 0.296 202 T C -0.726 173.831 174.700 -0.240 0.000 1.000 202 T CA -0.833 61.138 62.100 -0.216 0.000 0.989 202 T CB 1.905 70.624 68.868 -0.248 0.000 1.005 202 T HN 0.436 nan 8.240 nan 0.000 0.442 203 E N 1.893 121.904 120.200 -0.315 0.000 2.248 203 E HA 0.517 4.867 4.350 0.000 0.000 0.272 203 E C -1.140 175.306 176.600 -0.255 0.000 1.008 203 E CA -0.752 55.559 56.400 -0.148 0.000 0.856 203 E CB 1.588 31.251 29.700 -0.062 0.000 1.120 203 E HN 0.518 nan 8.360 nan 0.000 0.397 204 Y N 0.811 121.245 120.300 0.223 0.000 2.562 204 Y HA 0.525 5.075 4.550 0.000 0.000 0.343 204 Y C 0.201 176.255 175.900 0.258 0.000 1.025 204 Y CA -0.957 57.289 58.100 0.242 0.000 1.082 204 Y CB 2.001 40.523 38.460 0.103 0.000 1.264 204 Y HN 0.487 nan 8.280 nan 0.000 0.478 205 M N 1.667 121.454 119.600 0.312 0.000 2.562 205 M HA 0.776 5.256 4.480 0.000 0.000 0.281 205 M C -2.278 174.044 176.300 0.037 0.000 1.195 205 M CA -0.922 54.403 55.300 0.040 0.000 0.888 205 M CB 2.271 34.638 32.600 -0.388 0.000 1.731 205 M HN 0.418 nan 8.290 nan 0.000 0.493 206 V N -0.120 119.798 119.914 0.008 0.000 2.876 206 V HA 1.095 5.215 4.120 0.000 0.000 0.312 206 V C -0.835 175.257 176.094 -0.003 0.000 1.085 206 V CA 0.031 62.343 62.300 0.020 0.000 0.945 206 V CB 1.038 32.888 31.823 0.044 0.000 1.017 206 V HN 1.453 nan 8.190 nan 0.000 0.428 207 A N 2.168 124.996 122.820 0.014 0.000 2.606 207 A HA 0.751 5.071 4.320 0.000 0.000 0.293 207 A C 0.540 178.146 177.584 0.036 0.000 1.082 207 A CA 0.052 52.097 52.037 0.012 0.000 0.685 207 A CB 1.478 20.478 19.000 0.001 0.000 1.284 207 A HN 1.117 nan 8.150 nan 0.000 0.408 208 S N -0.059 115.655 115.700 0.023 0.000 2.442 208 S HA 0.001 4.471 4.470 0.000 0.000 0.236 208 S C 0.498 175.137 174.600 0.065 0.000 1.007 208 S CA 1.463 59.684 58.200 0.034 0.000 0.965 208 S CB -0.133 63.076 63.200 0.016 0.000 0.773 208 S HN 0.659 nan 8.310 nan 0.000 0.504 209 E N -0.409 119.837 120.200 0.075 0.000 2.383 209 E HA 0.269 4.620 4.350 0.000 0.000 0.275 209 E C 0.251 176.935 176.600 0.141 0.000 0.918 209 E CA -0.161 56.304 56.400 0.109 0.000 0.764 209 E CB 1.750 31.512 29.700 0.104 0.000 1.252 209 E HN 0.171 nan 8.360 nan 0.000 0.449 210 S N 0.038 115.855 115.700 0.195 0.000 2.447 210 S HA -0.150 4.320 4.470 0.000 0.000 0.233 210 S C 1.983 176.685 174.600 0.170 0.000 1.006 210 S CA 1.175 59.527 58.200 0.253 0.000 0.957 210 S CB -0.665 62.684 63.200 0.249 0.000 0.773 210 S HN 0.434 nan 8.310 nan 0.000 0.507 211 V N 0.611 120.597 119.914 0.119 0.000 2.392 211 V HA -0.077 4.043 4.120 0.000 0.000 0.249 211 V C 2.761 178.898 176.094 0.072 0.000 1.059 211 V CA 1.495 63.846 62.300 0.085 0.000 1.051 211 V CB -1.903 29.956 31.823 0.060 0.000 0.658 211 V HN 0.537 nan 8.190 nan 0.000 0.455 212 A N 0.534 123.389 122.820 0.059 0.000 1.972 212 A HA -0.047 4.273 4.320 0.000 0.000 0.219 212 A C 2.089 179.671 177.584 -0.003 0.000 1.169 212 A CA 2.168 54.213 52.037 0.014 0.000 0.635 212 A CB -0.594 18.398 19.000 -0.014 0.000 0.810 212 A HN 0.519 nan 8.150 nan 0.000 0.446 213 L N -0.069 121.181 121.223 0.045 0.000 2.072 213 L HA -0.083 4.257 4.340 0.000 0.000 0.205 213 L C 1.973 178.934 176.870 0.151 0.000 1.079 213 L CA 1.746 56.630 54.840 0.075 0.000 0.752 213 L CB -0.905 41.266 42.059 0.187 0.000 0.906 213 L HN 0.245 nan 8.230 nan 0.000 0.436 214 D N -0.838 119.644 120.400 0.137 0.000 2.106 214 D HA -0.234 4.406 4.640 0.000 0.000 0.191 214 D C 2.217 178.576 176.300 0.098 0.000 0.997 214 D CA 1.994 56.063 54.000 0.116 0.000 0.834 214 D CB -0.351 40.506 40.800 0.094 0.000 0.956 214 D HN 0.230 nan 8.370 nan 0.000 0.448 215 T N -0.397 114.203 114.554 0.077 0.000 2.962 215 T HA -0.035 4.315 4.350 0.000 0.000 0.270 215 T C 1.754 176.506 174.700 0.087 0.000 1.088 215 T CA 0.507 62.646 62.100 0.066 0.000 1.127 215 T CB -0.103 68.791 68.868 0.045 0.000 0.883 215 T HN 0.066 nan 8.240 nan 0.000 0.493 216 L N -0.204 121.090 121.223 0.119 0.000 2.567 216 L HA 0.326 4.666 4.340 0.000 0.000 0.225 216 L C 1.745 178.789 176.870 0.290 0.000 1.119 216 L CA 0.387 55.343 54.840 0.194 0.000 0.871 216 L CB -0.144 42.013 42.059 0.163 0.000 1.036 216 L HN 0.441 nan 8.230 nan 0.000 0.459 217 G N 0.327 109.261 108.800 0.224 0.000 2.160 217 G HA2 -0.299 3.661 3.960 0.000 0.000 0.244 217 G HA3 -0.299 3.661 3.960 0.000 0.000 0.244 217 G C -0.096 174.913 174.900 0.180 0.000 1.022 217 G CA -0.310 44.886 45.100 0.159 0.000 0.741 217 G HN 0.124 nan 8.290 nan 0.000 0.508 218 F N 1.356 121.321 119.950 0.025 0.000 2.385 218 F HA 0.390 4.918 4.527 0.000 0.000 0.336 218 F C 0.779 176.602 175.800 0.039 0.000 1.100 218 F CA -1.181 56.827 58.000 0.014 0.000 1.116 218 F CB 0.953 39.965 39.000 0.020 0.000 1.166 218 F HN 0.027 nan 8.300 nan 0.000 0.511 219 D N 3.540 124.015 120.400 0.124 0.000 2.348 219 D HA 0.007 4.647 4.640 0.000 0.000 0.253 219 D C -0.262 176.156 176.300 0.197 0.000 1.161 219 D CA -0.044 54.030 54.000 0.124 0.000 0.876 219 D CB 0.749 41.572 40.800 0.038 0.000 1.160 219 D HN 0.293 nan 8.370 nan 0.000 0.459 220 F N 2.402 122.391 119.950 0.064 0.000 2.578 220 F HA 0.012 4.539 4.527 0.000 0.000 0.376 220 F C 0.610 176.442 175.800 0.055 0.000 1.085 220 F CA 0.093 58.133 58.000 0.066 0.000 1.260 220 F CB 0.486 39.506 39.000 0.033 0.000 1.095 220 F HN 0.302 nan 8.300 nan 0.000 0.573 221 L N 5.005 125.922 121.223 -0.511 0.000 2.356 221 L HA 0.329 4.669 4.340 0.000 0.000 0.193 221 L C 0.180 176.761 176.870 -0.483 0.000 1.087 221 L CA 0.058 54.714 54.840 -0.308 0.000 0.817 221 L CB -0.060 41.911 42.059 -0.147 0.000 1.035 221 L HN 0.724 nan 8.230 nan 0.000 0.482 222 R N -1.876 118.123 120.500 -0.835 0.000 3.012 222 R HA 0.185 4.525 4.340 0.000 0.000 0.287 222 R C -1.773 174.338 176.300 -0.316 0.000 0.990 222 R CA -0.883 54.956 56.100 -0.435 0.000 0.839 222 R CB 0.502 30.738 30.300 -0.106 0.000 1.317 222 R HN -0.241 nan 8.270 nan 0.000 0.518 223 D N 0.576 120.976 120.400 -0.001 0.000 2.357 223 D HA 0.215 4.855 4.640 0.000 0.000 0.242 223 D C -0.238 176.075 176.300 0.021 0.000 1.153 223 D CA -0.067 53.974 54.000 0.068 0.000 0.918 223 D CB 1.797 42.683 40.800 0.143 0.000 1.181 223 D HN 0.157 nan 8.370 nan 0.000 0.435 224 V N 1.700 121.634 119.914 0.034 0.000 2.498 224 V HA 0.251 4.371 4.120 0.000 0.000 0.279 224 V C 0.694 176.812 176.094 0.039 0.000 1.048 224 V CA -0.509 61.812 62.300 0.035 0.000 0.967 224 V CB 1.123 32.977 31.823 0.053 0.000 0.988 224 V HN 0.638 nan 8.190 nan 0.000 0.473 225 A N 8.066 130.904 122.820 0.030 0.000 2.466 225 A HA 0.457 4.777 4.320 0.000 0.000 0.238 225 A C -2.332 175.263 177.584 0.019 0.000 1.074 225 A CA -1.009 51.040 52.037 0.021 0.000 0.774 225 A CB -0.323 18.682 19.000 0.008 0.000 1.015 225 A HN 0.696 nan 8.150 nan 0.000 0.498 226 P HA 0.246 nan 4.420 nan 0.000 0.265 226 P C 1.077 178.375 177.300 -0.002 0.000 1.193 226 P CA 1.839 64.930 63.100 -0.016 0.000 0.765 226 P CB 0.678 32.356 31.700 -0.036 0.000 0.823 227 G N 1.724 110.532 108.800 0.014 0.000 2.245 227 G HA2 -0.317 3.643 3.960 0.000 0.000 0.264 227 G HA3 -0.317 3.643 3.960 0.000 0.000 0.264 227 G C 0.335 175.274 174.900 0.064 0.000 0.985 227 G CA 0.332 45.458 45.100 0.043 0.000 0.625 227 G HN 0.653 nan 8.290 nan 0.000 0.536 228 E N 0.806 121.041 120.200 0.058 0.000 2.390 228 E HA 0.589 4.939 4.350 0.000 0.000 0.261 228 E C 0.237 176.923 176.600 0.144 0.000 1.076 228 E CA 0.013 56.444 56.400 0.052 0.000 0.905 228 E CB 0.747 30.465 29.700 0.028 0.000 0.984 228 E HN 0.946 nan 8.360 nan 0.000 0.427 229 A N 4.756 127.662 122.820 0.142 0.000 2.386 229 A HA 0.578 4.898 4.320 0.000 0.000 0.311 229 A C -1.027 176.810 177.584 0.422 0.000 1.068 229 A CA -0.797 51.443 52.037 0.339 0.000 0.743 229 A CB 1.063 20.329 19.000 0.443 0.000 1.258 229 A HN 0.550 nan 8.150 nan 0.000 0.429 230 I N 1.839 122.672 120.570 0.439 0.000 2.465 230 I HA 0.310 4.480 4.170 0.000 0.000 0.291 230 I C -1.400 174.990 176.117 0.455 0.000 1.014 230 I CA -0.355 61.186 61.300 0.402 0.000 1.093 230 I CB 1.587 39.710 38.000 0.205 0.000 1.267 230 I HN 0.763 nan 8.210 nan 0.000 0.431 231 Y N 7.475 127.973 120.300 0.330 0.000 2.332 231 Y HA 0.598 5.149 4.550 0.000 0.000 0.326 231 Y C -1.097 174.928 175.900 0.209 0.000 0.978 231 Y CA -1.119 57.085 58.100 0.173 0.000 1.205 231 Y CB 1.232 39.640 38.460 -0.087 0.000 1.131 231 Y HN 0.412 nan 8.280 nan 0.000 0.462 232 I N 6.645 127.077 120.570 -0.230 0.000 2.330 232 I HA 0.283 4.453 4.170 0.000 0.000 0.289 232 I C 0.555 176.381 176.117 -0.486 0.000 1.001 232 I CA -0.744 60.357 61.300 -0.333 0.000 1.193 232 I CB 1.632 39.544 38.000 -0.147 0.000 1.345 232 I HN 0.720 nan 8.210 nan 0.000 0.461 233 T N 0.879 115.128 114.554 -0.509 0.000 2.726 233 T HA 0.140 4.491 4.350 0.000 0.000 0.294 233 T C 0.838 175.469 174.700 -0.115 0.000 1.013 233 T CA -0.320 61.576 62.100 -0.340 0.000 0.996 233 T CB 0.839 69.608 68.868 -0.165 0.000 1.016 233 T HN 0.643 nan 8.240 nan 0.000 0.529 234 E N -0.206 119.967 120.200 -0.044 0.000 2.478 234 E HA -0.044 4.306 4.350 0.000 0.000 0.198 234 E C 1.169 177.767 176.600 -0.002 0.000 1.046 234 E CA 0.449 56.849 56.400 -0.000 0.000 0.870 234 E CB 0.082 29.787 29.700 0.009 0.000 0.818 234 E HN 0.628 nan 8.360 nan 0.000 0.527 235 E N -0.847 119.342 120.200 -0.018 0.000 2.481 235 E HA 0.105 4.456 4.350 0.000 0.000 0.198 235 E C 0.744 177.343 176.600 -0.003 0.000 1.027 235 E CA 0.359 56.754 56.400 -0.009 0.000 0.900 235 E CB 0.949 30.642 29.700 -0.012 0.000 0.993 235 E HN 0.277 nan 8.360 nan 0.000 0.482 236 G N 1.046 109.845 108.800 -0.001 0.000 2.141 236 G HA2 -0.345 3.616 3.960 0.000 0.000 0.242 236 G HA3 -0.345 3.616 3.960 0.000 0.000 0.242 236 G C 0.181 175.071 174.900 -0.015 0.000 0.982 236 G CA 0.300 45.430 45.100 0.049 0.000 0.662 236 G HN 0.332 nan 8.290 nan 0.000 0.527 237 Q N -0.180 119.546 119.800 -0.123 0.000 2.261 237 Q HA 0.654 4.994 4.340 0.000 0.000 0.252 237 Q C -0.382 175.344 176.000 -0.457 0.000 0.915 237 Q CA -0.847 54.797 55.803 -0.264 0.000 0.915 237 Q CB 0.995 29.587 28.738 -0.242 0.000 1.204 237 Q HN 0.429 nan 8.270 nan 0.000 0.421 238 L N 4.095 124.966 121.223 -0.587 0.000 2.325 238 L HA 0.610 4.950 4.340 0.000 0.000 0.278 238 L C -1.754 174.704 176.870 -0.687 0.000 1.023 238 L CA -0.019 54.469 54.840 -0.587 0.000 0.811 238 L CB 1.079 42.753 42.059 -0.641 0.000 1.249 238 L HN 0.594 nan 8.230 nan 0.000 0.431 239 F N 1.614 121.583 119.950 0.031 0.000 2.578 239 F HA 0.703 5.231 4.527 0.000 0.000 0.311 239 F C -0.026 175.955 175.800 0.301 0.000 1.094 239 F CA -0.493 57.645 58.000 0.229 0.000 0.923 239 F CB 2.457 41.751 39.000 0.491 0.000 1.230 239 F HN 0.536 nan 8.300 nan 0.000 0.450 240 T N 0.595 115.322 114.554 0.289 0.000 2.916 240 T HA 0.800 5.151 4.350 0.000 0.000 0.298 240 T C -1.146 173.361 174.700 -0.321 0.000 1.031 240 T CA -0.809 61.316 62.100 0.041 0.000 0.993 240 T CB 2.212 71.087 68.868 0.011 0.000 1.045 240 T HN 0.846 nan 8.240 nan 0.000 0.454 241 R N 1.868 121.965 120.500 -0.671 0.000 2.536 241 R HA 0.372 4.712 4.340 0.000 0.000 0.269 241 R C -1.303 174.741 176.300 -0.428 0.000 1.113 241 R CA -0.627 55.059 56.100 -0.691 0.000 0.948 241 R CB 1.827 31.422 30.300 -1.175 0.000 1.237 241 R HN 0.730 nan 8.270 nan 0.000 0.441 242 Q N 2.432 122.098 119.800 -0.224 0.000 2.274 242 Q HA 0.056 4.396 4.340 0.000 0.000 0.280 242 Q C -0.653 175.287 176.000 -0.100 0.000 1.047 242 Q CA 0.635 56.368 55.803 -0.116 0.000 0.907 242 Q CB 0.675 29.368 28.738 -0.075 0.000 1.171 242 Q HN 0.724 nan 8.270 nan 0.000 0.381 243 C N 3.516 122.789 119.300 -0.045 0.000 3.255 243 C HA 0.745 5.205 4.460 0.000 0.000 0.282 243 C C 0.282 175.276 174.990 0.006 0.000 1.441 243 C CA -0.010 59.000 59.018 -0.015 0.000 1.785 243 C CB -0.829 26.916 27.740 0.009 0.000 2.583 243 C HN 0.810 nan 8.230 nan 0.000 0.615 244 A N 0.481 123.304 122.820 0.005 0.000 2.337 244 A HA 0.563 4.883 4.320 0.000 0.000 0.331 244 A C 0.458 178.043 177.584 0.001 0.000 1.137 244 A CA -0.125 51.920 52.037 0.013 0.000 0.807 244 A CB 0.761 19.770 19.000 0.015 0.000 1.250 244 A HN 0.223 nan 8.150 nan 0.000 0.468 245 D N 0.451 120.854 120.400 0.004 0.000 2.117 245 D HA -0.064 4.576 4.640 0.000 0.000 0.198 245 D C -0.058 176.238 176.300 -0.006 0.000 0.982 245 D CA 1.768 55.768 54.000 -0.001 0.000 0.828 245 D CB 0.066 40.868 40.800 0.003 0.000 0.967 245 D HN 0.640 nan 8.370 nan 0.000 0.464 246 N N 0.545 119.241 118.700 -0.008 0.000 2.725 246 N HA 0.175 4.915 4.740 0.000 0.000 0.248 246 N C -2.667 172.831 175.510 -0.021 0.000 1.402 246 N CA -0.809 52.232 53.050 -0.014 0.000 0.766 246 N CB 2.305 40.784 38.487 -0.012 0.000 1.223 246 N HN -0.052 nan 8.380 nan 0.000 0.515 247 P HA 0.074 nan 4.420 nan 0.000 0.267 247 P C -0.805 176.474 177.300 -0.036 0.000 1.205 247 P CA 0.022 63.104 63.100 -0.030 0.000 0.765 247 P CB 1.589 33.275 31.700 -0.024 0.000 0.828 248 V N 2.372 122.258 119.914 -0.047 0.000 3.012 248 V HA 0.272 4.393 4.120 0.000 0.000 0.307 248 V C -0.636 175.418 176.094 -0.066 0.000 1.166 248 V CA -0.562 61.706 62.300 -0.053 0.000 0.974 248 V CB 2.639 34.431 31.823 -0.051 0.000 1.040 248 V HN 0.513 nan 8.190 nan 0.000 0.428 249 S N 5.009 120.663 115.700 -0.077 0.000 2.399 249 S HA 0.445 4.915 4.470 0.000 0.000 0.301 249 S C -0.018 174.502 174.600 -0.133 0.000 1.093 249 S CA -0.263 57.883 58.200 -0.091 0.000 1.077 249 S CB -0.244 62.901 63.200 -0.091 0.000 0.980 249 S HN 0.749 nan 8.310 nan 0.000 0.494 250 N N 3.703 122.345 118.700 -0.096 0.000 2.757 250 N HA 0.193 4.933 4.740 0.000 0.000 0.296 250 N C -2.857 172.664 175.510 0.018 0.000 1.874 250 N CA -1.350 51.655 53.050 -0.074 0.000 0.885 250 N CB 1.230 39.690 38.487 -0.044 0.000 1.242 250 N HN 0.380 nan 8.380 nan 0.000 0.488 251 P HA -0.062 nan 4.420 nan 0.000 0.268 251 P C 0.393 177.940 177.300 0.411 0.000 1.205 251 P CA -0.145 63.094 63.100 0.233 0.000 0.771 251 P CB 0.894 32.791 31.700 0.329 0.000 0.858 252 C N 4.481 123.954 119.300 0.288 0.000 2.596 252 C HA -0.019 4.441 4.460 0.000 0.000 0.414 252 C C 2.110 177.359 174.990 0.432 0.000 1.396 252 C CA -0.150 59.043 59.018 0.293 0.000 1.698 252 C CB -1.745 26.091 27.740 0.161 0.000 2.572 252 C HN 0.600 nan 8.230 nan 0.000 0.604 253 L N 5.377 126.855 121.223 0.425 0.000 2.131 253 L HA 0.126 4.466 4.340 0.000 0.000 0.206 253 L C 1.801 178.914 176.870 0.406 0.000 1.087 253 L CA 1.679 56.736 54.840 0.362 0.000 0.767 253 L CB -1.047 41.174 42.059 0.270 0.000 0.917 253 L HN 0.833 nan 8.230 nan 0.000 0.441 254 F N 0.334 120.427 119.950 0.240 0.000 2.250 254 F HA -0.190 4.338 4.527 0.000 0.000 0.301 254 F C 2.349 178.259 175.800 0.184 0.000 1.077 254 F CA 1.285 59.406 58.000 0.201 0.000 1.348 254 F CB -0.009 39.031 39.000 0.067 0.000 1.040 254 F HN 0.194 nan 8.300 nan 0.000 0.509 255 E N -0.696 119.596 120.200 0.154 0.000 2.077 255 E HA -0.237 4.113 4.350 0.000 0.000 0.193 255 E C 2.115 178.607 176.600 -0.180 0.000 0.989 255 E CA 1.532 57.920 56.400 -0.020 0.000 0.800 255 E CB -0.664 28.902 29.700 -0.224 0.000 0.746 255 E HN 0.506 nan 8.360 nan 0.000 0.452 256 Y N 0.327 120.640 120.300 0.022 0.000 2.263 256 Y HA -0.129 4.422 4.550 0.000 0.000 0.292 256 Y C 2.517 178.362 175.900 -0.092 0.000 1.130 256 Y CA 0.544 58.616 58.100 -0.047 0.000 1.179 256 Y CB -0.594 37.819 38.460 -0.078 0.000 0.998 256 Y HN -0.158 nan 8.280 nan 0.000 0.532 257 V N -1.619 118.302 119.914 0.012 0.000 2.307 257 V HA -0.263 3.857 4.120 0.000 0.000 0.245 257 V C 1.450 177.471 176.094 -0.122 0.000 1.045 257 V CA 2.455 64.703 62.300 -0.087 0.000 1.024 257 V CB -0.450 31.271 31.823 -0.171 0.000 0.651 257 V HN 0.542 nan 8.190 nan 0.000 0.449 258 Y N -2.968 117.080 120.300 -0.419 0.000 3.147 258 Y HA 0.148 4.698 4.550 0.000 0.000 0.219 258 Y C 1.728 177.535 175.900 -0.156 0.000 1.021 258 Y CA -0.239 57.668 58.100 -0.321 0.000 1.440 258 Y CB -0.189 37.969 38.460 -0.503 0.000 1.472 258 Y HN 0.048 nan 8.280 nan 0.000 0.408 259 F N 2.282 122.172 119.950 -0.099 0.000 2.147 259 F HA -0.052 4.475 4.527 0.000 0.000 0.301 259 F C 1.267 177.022 175.800 -0.076 0.000 1.084 259 F CA 1.377 59.375 58.000 -0.003 0.000 1.268 259 F CB -0.478 38.630 39.000 0.180 0.000 1.009 259 F HN 0.121 nan 8.300 nan 0.000 0.486 260 A N 0.064 122.856 122.820 -0.045 0.000 2.282 260 A HA 0.498 4.819 4.320 0.000 0.000 0.319 260 A C 0.211 177.632 177.584 -0.272 0.000 1.121 260 A CA -0.652 51.330 52.037 -0.091 0.000 0.836 260 A CB 0.459 19.394 19.000 -0.108 0.000 1.146 260 A HN 0.201 nan 8.150 nan 0.000 0.494 261 R N 1.342 121.643 120.500 -0.333 0.000 2.594 261 R HA 0.195 4.535 4.340 0.000 0.000 0.272 261 R C -1.470 174.672 176.300 -0.263 0.000 1.074 261 R CA -1.370 54.474 56.100 -0.426 0.000 1.105 261 R CB 0.692 30.721 30.300 -0.452 0.000 1.008 261 R HN 0.577 nan 8.270 nan 0.000 0.472 262 P HA -0.145 nan 4.420 nan 0.000 0.222 262 P C -0.073 177.108 177.300 -0.199 0.000 1.147 262 P CA 1.233 64.230 63.100 -0.172 0.000 0.790 262 P CB 0.213 31.823 31.700 -0.150 0.000 0.780 263 D N -1.225 119.055 120.400 -0.200 0.000 2.328 263 D HA 0.055 4.695 4.640 0.000 0.000 0.226 263 D C 0.334 176.538 176.300 -0.161 0.000 1.066 263 D CA -0.015 53.887 54.000 -0.163 0.000 0.861 263 D CB -0.362 40.388 40.800 -0.084 0.000 0.912 263 D HN -0.002 nan 8.370 nan 0.000 0.521 264 S N -0.250 115.316 115.700 -0.224 0.000 2.616 264 S HA 0.482 4.952 4.470 0.000 0.000 0.277 264 S C -0.633 173.740 174.600 -0.379 0.000 1.234 264 S CA -0.576 57.545 58.200 -0.131 0.000 1.028 264 S CB 0.654 63.821 63.200 -0.056 0.000 0.988 264 S HN 0.065 nan 8.310 nan 0.000 0.522 265 F N 2.102 122.027 119.950 -0.041 0.000 2.434 265 F HA 0.470 4.997 4.527 0.000 0.000 0.367 265 F C -0.094 175.740 175.800 0.057 0.000 1.093 265 F CA -0.513 57.470 58.000 -0.028 0.000 1.085 265 F CB 0.359 39.243 39.000 -0.193 0.000 1.322 265 F HN 0.306 nan 8.300 nan 0.000 0.452 266 I N 3.700 124.386 120.570 0.194 0.000 2.325 266 I HA 0.161 4.331 4.170 0.000 0.000 0.291 266 I C 0.064 176.382 176.117 0.334 0.000 1.019 266 I CA -0.361 61.072 61.300 0.221 0.000 1.302 266 I CB 0.750 38.778 38.000 0.047 0.000 1.401 266 I HN 0.515 nan 8.210 nan 0.000 0.485 267 D N 6.099 126.673 120.400 0.290 0.000 2.708 267 D HA -0.211 4.429 4.640 0.000 0.000 0.236 267 D C 0.758 177.199 176.300 0.235 0.000 1.146 267 D CA 0.967 55.116 54.000 0.249 0.000 0.662 267 D CB -0.502 40.437 40.800 0.233 0.000 1.059 267 D HN 0.819 nan 8.370 nan 0.000 0.428 268 K N -2.344 118.212 120.400 0.260 0.000 3.610 268 K HA -0.227 4.093 4.320 0.000 0.000 0.283 268 K C 0.618 177.369 176.600 0.252 0.000 1.210 268 K CA 1.389 57.810 56.287 0.225 0.000 1.026 268 K CB -0.984 31.610 32.500 0.156 0.000 1.295 268 K HN 0.433 nan 8.250 nan 0.000 0.468 269 I N 1.603 122.329 120.570 0.259 0.000 2.396 269 I HA 0.073 4.243 4.170 0.000 0.000 0.292 269 I C 0.745 176.950 176.117 0.147 0.000 0.999 269 I CA -0.415 61.007 61.300 0.204 0.000 1.310 269 I CB 1.621 39.719 38.000 0.163 0.000 1.404 269 I HN 0.032 nan 8.210 nan 0.000 0.496 270 S N 4.642 120.348 115.700 0.011 0.000 2.499 270 S HA 0.191 4.661 4.470 0.000 0.000 0.275 270 S C 1.007 175.489 174.600 -0.196 0.000 1.257 270 S CA -0.752 57.196 58.200 -0.421 0.000 1.050 270 S CB 1.159 64.217 63.200 -0.237 0.000 0.937 270 S HN 0.426 nan 8.310 nan 0.000 0.490 271 V N 6.093 125.865 119.914 -0.236 0.000 2.427 271 V HA -0.104 4.016 4.120 0.000 0.000 0.248 271 V C 1.898 177.983 176.094 -0.015 0.000 1.051 271 V CA 1.879 64.154 62.300 -0.043 0.000 1.048 271 V CB -1.257 30.505 31.823 -0.101 0.000 0.666 271 V HN 0.985 nan 8.190 nan 0.000 0.456 272 Y N 1.876 122.056 120.300 -0.201 0.000 2.070 272 Y HA -0.277 4.273 4.550 0.000 0.000 0.280 272 Y C 2.779 178.619 175.900 -0.101 0.000 1.148 272 Y CA 1.737 59.751 58.100 -0.144 0.000 1.125 272 Y CB -0.907 37.465 38.460 -0.146 0.000 0.975 272 Y HN 0.225 nan 8.280 nan 0.000 0.492 273 S N 0.629 116.165 115.700 -0.272 0.000 2.374 273 S HA -0.252 4.218 4.470 0.000 0.000 0.227 273 S C 2.310 176.780 174.600 -0.217 0.000 1.037 273 S CA 1.368 59.372 58.200 -0.327 0.000 1.024 273 S CB -0.996 62.109 63.200 -0.158 0.000 0.861 273 S HN 0.665 nan 8.310 nan 0.000 0.456 274 A N 1.591 124.334 122.820 -0.128 0.000 1.877 274 A HA -0.129 4.191 4.320 0.000 0.000 0.216 274 A C 2.153 179.669 177.584 -0.113 0.000 1.186 274 A CA 1.759 53.729 52.037 -0.112 0.000 0.620 274 A CB -0.556 18.402 19.000 -0.070 0.000 0.822 274 A HN 0.354 nan 8.150 nan 0.000 0.443 275 R N -0.813 119.635 120.500 -0.087 0.000 2.091 275 R HA -0.094 4.246 4.340 0.000 0.000 0.238 275 R C 2.044 178.279 176.300 -0.108 0.000 1.136 275 R CA 1.575 57.635 56.100 -0.067 0.000 0.959 275 R CB -0.720 29.575 30.300 -0.009 0.000 0.856 275 R HN 0.346 nan 8.270 nan 0.000 0.437 276 V N 1.395 121.188 119.914 -0.203 0.000 2.287 276 V HA -0.300 3.820 4.120 0.000 0.000 0.248 276 V C 1.615 177.616 176.094 -0.156 0.000 1.053 276 V CA 2.053 64.222 62.300 -0.218 0.000 1.027 276 V CB -0.561 31.033 31.823 -0.383 0.000 0.646 276 V HN 0.401 nan 8.190 nan 0.000 0.447 277 N N -0.009 118.596 118.700 -0.158 0.000 2.137 277 N HA -0.185 4.555 4.740 0.000 0.000 0.190 277 N C 1.697 177.143 175.510 -0.107 0.000 1.017 277 N CA 1.675 54.651 53.050 -0.124 0.000 0.859 277 N CB -0.444 37.970 38.487 -0.123 0.000 1.002 277 N HN 0.469 nan 8.380 nan 0.000 0.428 278 M N -0.419 119.118 119.600 -0.104 0.000 2.279 278 M HA -0.010 4.470 4.480 0.000 0.000 0.264 278 M C 2.109 178.363 176.300 -0.077 0.000 1.062 278 M CA 1.284 56.530 55.300 -0.091 0.000 1.099 278 M CB -0.356 32.197 32.600 -0.078 0.000 1.394 278 M HN 0.174 nan 8.290 nan 0.000 0.426 279 G N 0.338 109.093 108.800 -0.075 0.000 2.424 279 G HA2 -0.164 3.796 3.960 0.000 0.000 0.214 279 G HA3 -0.164 3.796 3.960 0.000 0.000 0.214 279 G C 1.435 176.296 174.900 -0.065 0.000 1.202 279 G CA 1.320 46.383 45.100 -0.061 0.000 0.793 279 G HN 0.366 nan 8.290 nan 0.000 0.534 280 T N 1.520 116.029 114.554 -0.074 0.000 2.624 280 T HA -0.161 4.189 4.350 0.000 0.000 0.268 280 T C 2.298 176.959 174.700 -0.066 0.000 1.041 280 T CA 1.562 63.621 62.100 -0.068 0.000 1.159 280 T CB -0.176 68.648 68.868 -0.073 0.000 0.863 280 T HN 0.160 nan 8.240 nan 0.000 0.434 281 K N 0.551 120.907 120.400 -0.073 0.000 2.097 281 K HA 0.061 4.381 4.320 0.000 0.000 0.205 281 K C 2.262 178.814 176.600 -0.080 0.000 1.050 281 K CA 0.698 56.941 56.287 -0.074 0.000 0.938 281 K CB -0.610 31.841 32.500 -0.081 0.000 0.718 281 K HN 0.245 nan 8.250 nan 0.000 0.442 282 L N 0.849 122.022 121.223 -0.082 0.000 2.156 282 L HA 0.031 4.372 4.340 0.000 0.000 0.208 282 L C 2.053 178.865 176.870 -0.097 0.000 1.095 282 L CA 1.715 56.498 54.840 -0.096 0.000 0.770 282 L CB -0.950 41.057 42.059 -0.086 0.000 0.914 282 L HN 0.148 nan 8.230 nan 0.000 0.439 283 G N -0.878 107.880 108.800 -0.070 0.000 2.433 283 G HA2 -0.252 3.709 3.960 0.000 0.000 0.216 283 G HA3 -0.252 3.709 3.960 0.000 0.000 0.216 283 G C 1.423 176.287 174.900 -0.059 0.000 1.186 283 G CA 0.742 45.810 45.100 -0.054 0.000 0.779 283 G HN 0.509 nan 8.290 nan 0.000 0.543 284 E N 0.107 120.272 120.200 -0.059 0.000 2.118 284 E HA -0.156 4.194 4.350 0.000 0.000 0.195 284 E C 2.325 178.884 176.600 -0.069 0.000 0.992 284 E CA 1.197 57.564 56.400 -0.054 0.000 0.804 284 E CB -0.072 29.597 29.700 -0.051 0.000 0.741 284 E HN 0.509 nan 8.360 nan 0.000 0.458 285 K N 1.014 121.356 120.400 -0.097 0.000 2.057 285 K HA -0.128 4.192 4.320 0.000 0.000 0.206 285 K C 2.038 178.533 176.600 -0.175 0.000 1.050 285 K CA 0.937 57.147 56.287 -0.127 0.000 0.935 285 K CB -0.045 32.365 32.500 -0.150 0.000 0.715 285 K HN 0.025 nan 8.250 nan 0.000 0.439 286 I N 1.186 121.632 120.570 -0.207 0.000 2.163 286 I HA -0.282 3.888 4.170 0.000 0.000 0.243 286 I C 2.400 178.492 176.117 -0.042 0.000 1.085 286 I CA 1.378 62.537 61.300 -0.235 0.000 1.347 286 I CB -0.292 37.617 38.000 -0.152 0.000 1.044 286 I HN 0.295 nan 8.210 nan 0.000 0.408 287 A N 0.383 123.187 122.820 -0.025 0.000 1.972 287 A HA -0.173 4.147 4.320 0.000 0.000 0.219 287 A C 2.360 179.953 177.584 0.014 0.000 1.169 287 A CA 1.350 53.393 52.037 0.010 0.000 0.635 287 A CB -0.427 18.571 19.000 -0.004 0.000 0.810 287 A HN 0.323 nan 8.150 nan 0.000 0.446 288 R N -0.478 120.014 120.500 -0.013 0.000 2.052 288 R HA -0.032 4.308 4.340 0.000 0.000 0.224 288 R C 1.745 178.061 176.300 0.026 0.000 1.165 288 R CA 1.475 57.574 56.100 -0.002 0.000 0.939 288 R CB -0.383 29.904 30.300 -0.022 0.000 0.834 288 R HN 0.571 nan 8.270 nan 0.000 0.435 289 E N -0.885 119.316 120.200 0.003 0.000 2.511 289 E HA -0.120 4.230 4.350 0.000 0.000 0.196 289 E C 0.064 176.831 176.600 0.279 0.000 1.066 289 E CA 0.379 56.818 56.400 0.064 0.000 0.871 289 E CB 0.231 29.921 29.700 -0.017 0.000 0.863 289 E HN 0.369 nan 8.360 nan 0.000 0.520 290 W N 1.080 122.355 121.300 -0.041 0.000 1.832 290 W HA 0.170 4.830 4.660 0.000 0.000 0.297 290 W C 0.784 177.260 176.519 -0.072 0.000 0.891 290 W CA -1.095 56.209 57.345 -0.068 0.000 2.000 290 W CB -0.046 29.352 29.460 -0.104 0.000 1.081 290 W HN 0.129 nan 8.180 nan 0.000 0.499 291 E N -0.951 119.334 120.200 0.142 0.000 2.171 291 E HA -0.220 4.130 4.350 0.000 0.000 0.197 291 E C 0.841 177.457 176.600 0.026 0.000 0.997 291 E CA 1.717 58.158 56.400 0.067 0.000 0.810 291 E CB -0.164 29.563 29.700 0.044 0.000 0.738 291 E HN 0.057 nan 8.360 nan 0.000 0.467 292 D N 1.321 121.726 120.400 0.007 0.000 2.352 292 D HA 0.031 4.671 4.640 0.000 0.000 0.236 292 D C -0.007 176.238 176.300 -0.092 0.000 1.148 292 D CA -0.020 53.960 54.000 -0.034 0.000 0.844 292 D CB 0.162 40.943 40.800 -0.031 0.000 0.933 292 D HN 0.191 nan 8.370 nan 0.000 0.507 293 L N -0.233 120.917 121.223 -0.122 0.000 2.334 293 L HA 0.547 4.888 4.340 0.000 0.000 0.277 293 L C -0.379 176.396 176.870 -0.159 0.000 1.075 293 L CA -0.602 54.087 54.840 -0.251 0.000 0.804 293 L CB 0.764 42.530 42.059 -0.488 0.000 1.174 293 L HN -0.313 nan 8.230 nan 0.000 0.438 294 D N 3.890 124.204 120.400 -0.143 0.000 2.392 294 D HA 0.621 5.261 4.640 0.000 0.000 0.228 294 D C -0.486 175.821 176.300 0.012 0.000 1.074 294 D CA -0.167 53.807 54.000 -0.044 0.000 0.838 294 D CB 0.548 41.343 40.800 -0.009 0.000 1.067 294 D HN 0.711 nan 8.370 nan 0.000 0.511 295 I N -0.348 120.232 120.570 0.017 0.000 2.828 295 I HA 0.557 4.727 4.170 0.000 0.000 0.302 295 I C -0.274 175.866 176.117 0.039 0.000 1.101 295 I CA -0.760 60.584 61.300 0.073 0.000 1.031 295 I CB 2.575 40.624 38.000 0.081 0.000 1.231 295 I HN -0.029 nan 8.210 nan 0.000 0.427 296 D N 2.147 122.567 120.400 0.032 0.000 2.423 296 D HA 0.244 4.885 4.640 0.000 0.000 0.208 296 D C 0.044 176.334 176.300 -0.016 0.000 1.068 296 D CA 0.787 54.788 54.000 0.002 0.000 0.860 296 D CB 1.999 42.793 40.800 -0.009 0.000 0.992 296 D HN 0.319 nan 8.370 nan 0.000 0.504 297 V N 0.420 120.323 119.914 -0.019 0.000 3.236 297 V HA 0.246 4.367 4.120 0.000 0.000 0.287 297 V C -1.807 174.269 176.094 -0.030 0.000 1.491 297 V CA -0.763 61.509 62.300 -0.047 0.000 1.037 297 V CB 2.433 34.179 31.823 -0.129 0.000 1.160 297 V HN -0.239 nan 8.190 nan 0.000 0.453 298 V N 6.112 126.016 119.914 -0.017 0.000 2.394 298 V HA 0.583 4.703 4.120 0.000 0.000 0.282 298 V C -0.137 175.909 176.094 -0.080 0.000 1.031 298 V CA -0.280 62.034 62.300 0.024 0.000 0.881 298 V CB 1.340 33.235 31.823 0.120 0.000 0.982 298 V HN 0.628 nan 8.190 nan 0.000 0.451 299 I N 7.798 128.330 120.570 -0.064 0.000 2.410 299 I HA 0.404 4.574 4.170 0.000 0.000 0.286 299 I C -2.354 173.793 176.117 0.051 0.000 1.009 299 I CA -1.947 59.275 61.300 -0.130 0.000 1.111 299 I CB 2.907 40.763 38.000 -0.240 0.000 1.262 299 I HN 0.449 nan 8.210 nan 0.000 0.443 300 P HA 0.307 nan 4.420 nan 0.000 0.282 300 P C -0.741 176.697 177.300 0.229 0.000 1.249 300 P CA -0.259 62.941 63.100 0.167 0.000 0.806 300 P CB 1.573 33.403 31.700 0.217 0.000 0.984 301 I N 3.909 124.593 120.570 0.191 0.000 2.330 301 I HA 0.244 4.415 4.170 0.000 0.000 0.286 301 I C -2.127 174.053 176.117 0.105 0.000 1.025 301 I CA -2.754 58.634 61.300 0.146 0.000 1.197 301 I CB 1.298 39.333 38.000 0.058 0.000 1.358 301 I HN 0.100 nan 8.210 nan 0.000 0.467 302 P HA 0.062 nan 4.420 nan 0.000 0.268 302 P C 0.090 177.423 177.300 0.054 0.000 1.208 302 P CA 0.059 63.208 63.100 0.081 0.000 0.777 302 P CB 0.931 32.682 31.700 0.085 0.000 0.875 303 E N 0.377 120.599 120.200 0.037 0.000 2.132 303 E HA -0.065 4.286 4.350 0.000 0.000 0.193 303 E C 1.605 178.213 176.600 0.013 0.000 0.951 303 E CA 0.888 57.296 56.400 0.014 0.000 0.843 303 E CB -0.594 29.084 29.700 -0.038 0.000 0.807 303 E HN 0.466 nan 8.360 nan 0.000 0.467 304 T N 1.636 116.191 114.554 0.001 0.000 2.624 304 T HA -0.227 4.123 4.350 0.000 0.000 0.266 304 T C 2.017 176.738 174.700 0.034 0.000 1.050 304 T CA 1.957 64.055 62.100 -0.004 0.000 1.163 304 T CB -0.454 68.442 68.868 0.048 0.000 0.861 304 T HN 0.048 nan 8.240 nan 0.000 0.443 305 S N 0.371 116.112 115.700 0.067 0.000 2.603 305 S HA -0.002 4.468 4.470 0.000 0.000 0.229 305 S C 2.259 176.923 174.600 0.106 0.000 0.972 305 S CA 0.184 58.433 58.200 0.081 0.000 0.935 305 S CB -0.826 62.429 63.200 0.092 0.000 0.769 305 S HN 0.569 nan 8.310 nan 0.000 0.536 306 C N 2.394 121.758 119.300 0.108 0.000 2.398 306 C HA -0.130 4.330 4.460 0.000 0.000 0.276 306 C C 2.373 177.424 174.990 0.102 0.000 1.222 306 C CA 0.726 59.836 59.018 0.153 0.000 1.746 306 C CB -0.909 26.907 27.740 0.127 0.000 2.039 306 C HN 0.605 nan 8.230 nan 0.000 0.470 307 D N -0.041 120.397 120.400 0.063 0.000 2.305 307 D HA 0.082 4.722 4.640 0.000 0.000 0.206 307 D C 1.954 178.249 176.300 -0.008 0.000 0.974 307 D CA 0.616 54.635 54.000 0.031 0.000 0.871 307 D CB -0.115 40.798 40.800 0.188 0.000 0.947 307 D HN 0.505 nan 8.370 nan 0.000 0.516 308 I N 1.478 122.060 120.570 0.019 0.000 2.202 308 I HA -0.214 3.956 4.170 0.000 0.000 0.242 308 I C 2.572 178.696 176.117 0.012 0.000 1.091 308 I CA 0.838 62.139 61.300 0.001 0.000 1.368 308 I CB -0.136 37.874 38.000 0.016 0.000 1.058 308 I HN -0.095 nan 8.210 nan 0.000 0.410 309 A N 0.607 123.470 122.820 0.071 0.000 1.930 309 A HA -0.187 4.133 4.320 0.000 0.000 0.217 309 A C 2.217 179.863 177.584 0.103 0.000 1.175 309 A CA 1.201 53.322 52.037 0.140 0.000 0.627 309 A CB -0.678 18.487 19.000 0.275 0.000 0.815 309 A HN 0.375 nan 8.150 nan 0.000 0.443 310 L N 0.187 121.339 121.223 -0.118 0.000 2.042 310 L HA -0.159 4.182 4.340 0.000 0.000 0.210 310 L C 2.227 178.998 176.870 -0.165 0.000 1.076 310 L CA 2.844 57.429 54.840 -0.425 0.000 0.749 310 L CB -0.747 40.941 42.059 -0.618 0.000 0.893 310 L HN 0.505 nan 8.230 nan 0.000 0.432 311 E N -0.113 120.022 120.200 -0.108 0.000 2.077 311 E HA -0.208 4.142 4.350 0.000 0.000 0.193 311 E C 2.128 178.702 176.600 -0.043 0.000 0.989 311 E CA 1.848 58.202 56.400 -0.077 0.000 0.800 311 E CB -0.408 29.245 29.700 -0.079 0.000 0.746 311 E HN 0.623 nan 8.360 nan 0.000 0.452 312 I N 0.404 120.963 120.570 -0.019 0.000 2.264 312 I HA -0.284 3.886 4.170 0.000 0.000 0.248 312 I C 2.342 178.470 176.117 0.019 0.000 1.111 312 I CA 1.052 62.353 61.300 0.001 0.000 1.382 312 I CB -0.431 37.581 38.000 0.020 0.000 1.060 312 I HN 0.230 nan 8.210 nan 0.000 0.418 313 A N 0.540 123.384 122.820 0.040 0.000 1.898 313 A HA -0.204 4.117 4.320 0.000 0.000 0.216 313 A C 2.460 180.058 177.584 0.022 0.000 1.181 313 A CA 1.279 53.351 52.037 0.058 0.000 0.620 313 A CB -0.553 18.519 19.000 0.119 0.000 0.819 313 A HN 0.280 nan 8.150 nan 0.000 0.442 314 R N -0.380 120.116 120.500 -0.006 0.000 2.082 314 R HA -0.137 4.203 4.340 0.000 0.000 0.234 314 R C 1.979 178.272 176.300 -0.012 0.000 1.136 314 R CA 1.836 57.926 56.100 -0.017 0.000 0.935 314 R CB -0.392 29.885 30.300 -0.038 0.000 0.842 314 R HN 0.452 nan 8.270 nan 0.000 0.430 315 I N 1.340 121.900 120.570 -0.017 0.000 2.151 315 I HA -0.286 3.884 4.170 0.000 0.000 0.243 315 I C 2.205 178.319 176.117 -0.005 0.000 1.080 315 I CA 1.504 62.794 61.300 -0.016 0.000 1.339 315 I CB -0.976 37.010 38.000 -0.023 0.000 1.039 315 I HN 0.283 nan 8.210 nan 0.000 0.409 316 L N 0.354 121.580 121.223 0.005 0.000 2.599 316 L HA 0.128 4.468 4.340 0.000 0.000 0.230 316 L C 1.513 178.392 176.870 0.014 0.000 1.141 316 L CA 0.501 55.349 54.840 0.014 0.000 0.877 316 L CB -0.754 41.322 42.059 0.028 0.000 1.009 316 L HN 0.480 nan 8.230 nan 0.000 0.447 317 G N 0.554 109.360 108.800 0.010 0.000 2.258 317 G HA2 -0.263 3.697 3.960 0.000 0.000 0.274 317 G HA3 -0.263 3.697 3.960 0.000 0.000 0.274 317 G C 0.291 175.201 174.900 0.016 0.000 1.021 317 G CA 0.336 45.442 45.100 0.010 0.000 0.798 317 G HN 0.212 nan 8.290 nan 0.000 0.507 318 K N 0.136 120.551 120.400 0.026 0.000 2.185 318 K HA 0.569 4.889 4.320 0.000 0.000 0.240 318 K C -2.167 174.459 176.600 0.043 0.000 0.983 318 K CA -2.020 54.285 56.287 0.030 0.000 0.873 318 K CB 1.712 34.233 32.500 0.034 0.000 1.118 318 K HN 0.112 nan 8.250 nan 0.000 0.441 319 P HA 0.128 nan 4.420 nan 0.000 0.278 319 P C -1.166 176.180 177.300 0.075 0.000 1.238 319 P CA -0.227 62.901 63.100 0.048 0.000 0.794 319 P CB 0.472 32.179 31.700 0.011 0.000 0.955 320 Y N 3.072 123.355 120.300 -0.028 0.000 2.331 320 Y HA 0.607 5.157 4.550 0.000 0.000 0.338 320 Y C -0.290 175.583 175.900 -0.045 0.000 0.992 320 Y CA -0.773 57.309 58.100 -0.031 0.000 1.121 320 Y CB 1.346 39.797 38.460 -0.015 0.000 1.184 320 Y HN 0.309 nan 8.280 nan 0.000 0.469 321 R N 2.852 122.994 120.500 -0.597 0.000 2.771 321 R HA 0.360 4.701 4.340 0.000 0.000 0.274 321 R C -1.433 174.496 176.300 -0.618 0.000 0.987 321 R CA -0.710 55.094 56.100 -0.493 0.000 0.908 321 R CB 1.629 31.748 30.300 -0.302 0.000 1.213 321 R HN 0.628 nan 8.270 nan 0.000 0.468 322 Q N 1.578 121.141 119.800 -0.394 0.000 2.553 322 Q HA 0.208 4.549 4.340 0.000 0.000 0.221 322 Q C 0.449 176.325 176.000 -0.206 0.000 1.219 322 Q CA 0.114 55.760 55.803 -0.262 0.000 0.955 322 Q CB 1.428 30.102 28.738 -0.106 0.000 1.399 322 Q HN 0.956 nan 8.270 nan 0.000 0.551 323 G N 1.417 110.032 108.800 -0.309 0.000 2.623 323 G HA2 0.005 3.965 3.960 0.000 0.000 0.214 323 G HA3 0.005 3.965 3.960 0.000 0.000 0.214 323 G C 0.087 174.895 174.900 -0.154 0.000 1.138 323 G CA 0.253 45.126 45.100 -0.377 0.000 0.794 323 G HN 0.302 nan 8.290 nan 0.000 0.535 324 F N -0.611 119.426 119.950 0.145 0.000 2.563 324 F HA 0.644 5.171 4.527 0.000 0.000 0.316 324 F C -0.435 175.409 175.800 0.074 0.000 1.076 324 F CA -1.424 56.660 58.000 0.140 0.000 0.921 324 F CB 2.551 41.631 39.000 0.133 0.000 1.209 324 F HN -0.261 nan 8.300 nan 0.000 0.462 325 V N 2.663 122.751 119.914 0.291 0.000 2.487 325 V HA 0.357 4.477 4.120 0.000 0.000 0.298 325 V C -0.393 175.778 176.094 0.128 0.000 1.028 325 V CA -1.276 61.122 62.300 0.163 0.000 0.860 325 V CB 1.899 33.794 31.823 0.119 0.000 0.991 325 V HN 0.618 nan 8.190 nan 0.000 0.427 326 K N 3.814 124.265 120.400 0.085 0.000 2.258 326 K HA 0.290 4.610 4.320 0.000 0.000 0.284 326 K C -0.083 176.540 176.600 0.039 0.000 1.051 326 K CA -0.567 55.748 56.287 0.047 0.000 0.923 326 K CB 0.466 32.981 32.500 0.025 0.000 1.046 326 K HN 0.657 nan 8.250 nan 0.000 0.474 327 N N 3.713 122.438 118.700 0.042 0.000 2.452 327 N HA -0.049 4.691 4.740 0.000 0.000 0.266 327 N C 0.758 176.275 175.510 0.011 0.000 1.209 327 N CA 0.221 53.306 53.050 0.058 0.000 0.929 327 N CB 1.045 39.576 38.487 0.074 0.000 1.063 327 N HN 0.606 nan 8.380 nan 0.000 0.472 328 R N 2.267 122.756 120.500 -0.018 0.000 2.189 328 R HA -0.057 4.283 4.340 0.000 0.000 0.223 328 R C -0.469 175.552 176.300 -0.465 0.000 1.092 328 R CA 1.138 57.084 56.100 -0.257 0.000 0.989 328 R CB 0.184 30.264 30.300 -0.368 0.000 0.876 328 R HN 0.515 nan 8.270 nan 0.000 0.457 329 Y N -0.996 119.313 120.300 0.015 0.000 2.425 329 Y HA 0.474 5.024 4.550 0.000 0.000 0.344 329 Y C -0.607 175.300 175.900 0.013 0.000 0.969 329 Y CA -1.127 56.982 58.100 0.014 0.000 1.052 329 Y CB 2.227 40.698 38.460 0.018 0.000 1.215 329 Y HN -0.366 nan 8.280 nan 0.000 0.451 330 V N 2.198 122.190 119.914 0.130 0.000 2.656 330 V HA 0.843 4.963 4.120 0.000 0.000 0.307 330 V C 0.175 176.311 176.094 0.069 0.000 1.051 330 V CA -0.789 61.558 62.300 0.079 0.000 0.893 330 V CB 1.893 33.736 31.823 0.033 0.000 0.999 330 V HN 0.970 nan 8.190 nan 0.000 0.426 331 G N 3.073 111.908 108.800 0.058 0.000 2.471 331 G HA2 0.680 4.640 3.960 0.000 0.000 0.332 331 G HA3 0.680 4.640 3.960 0.000 0.000 0.332 331 G C -0.415 174.468 174.900 -0.027 0.000 1.176 331 G CA -0.923 44.200 45.100 0.039 0.000 0.949 331 G HN 0.859 nan 8.290 nan 0.000 0.488 332 R N -1.163 119.260 120.500 -0.127 0.000 2.583 332 R HA 0.632 4.972 4.340 0.000 0.000 0.268 332 R C -0.565 175.550 176.300 -0.309 0.000 1.101 332 R CA -0.419 55.522 56.100 -0.265 0.000 1.180 332 R CB 0.298 30.348 30.300 -0.416 0.000 1.128 332 R HN 0.268 nan 8.270 nan 0.000 0.568 333 T N 1.796 116.191 114.554 -0.265 0.000 2.771 333 T HA 0.420 4.770 4.350 0.000 0.000 0.281 333 T C -0.754 173.820 174.700 -0.210 0.000 0.982 333 T CA -0.397 61.636 62.100 -0.112 0.000 0.978 333 T CB 0.245 69.096 68.868 -0.028 0.000 0.930 333 T HN 0.279 nan 8.240 nan 0.000 0.447 334 F N 1.631 121.583 119.950 0.003 0.000 2.371 334 F HA 0.458 4.985 4.527 0.000 0.000 0.329 334 F C 1.169 176.969 175.800 0.001 0.000 1.107 334 F CA -1.501 56.501 58.000 0.002 0.000 1.137 334 F CB 0.400 39.402 39.000 0.002 0.000 1.214 334 F HN 0.420 nan 8.300 nan 0.000 0.536 335 I N 4.013 124.684 120.570 0.168 0.000 2.382 335 I HA 0.015 4.185 4.170 0.000 0.000 0.297 335 I C 0.083 176.258 176.117 0.097 0.000 1.172 335 I CA 0.052 61.410 61.300 0.096 0.000 1.825 335 I CB -0.801 37.235 38.000 0.060 0.000 1.509 335 I HN 0.378 nan 8.210 nan 0.000 0.842 346 V N 2.469 122.367 119.914 -0.027 0.000 3.052 346 V HA 0.195 4.315 4.120 0.000 0.000 0.254 346 V C 2.042 178.111 176.094 -0.041 0.000 1.100 346 V CA 1.777 64.052 62.300 -0.042 0.000 1.112 346 V CB -0.077 31.705 31.823 -0.068 0.000 0.738 346 V HN 0.367 nan 8.190 nan 0.000 0.469 347 R N 0.366 120.850 120.500 -0.027 0.000 2.200 347 R HA -0.072 4.268 4.340 0.000 0.000 0.234 347 R C 2.165 178.467 176.300 0.004 0.000 1.127 347 R CA 1.350 57.443 56.100 -0.011 0.000 0.989 347 R CB -0.248 30.050 30.300 -0.003 0.000 0.869 347 R HN 0.319 nan 8.270 nan 0.000 0.459 348 R N -0.042 120.460 120.500 0.003 0.000 2.236 348 R HA 0.001 4.341 4.340 0.000 0.000 0.208 348 R C 1.382 177.692 176.300 0.017 0.000 1.036 348 R CA 1.051 57.160 56.100 0.015 0.000 1.001 348 R CB 0.098 30.405 30.300 0.012 0.000 0.896 348 R HN 0.298 nan 8.270 nan 0.000 0.464 349 K N -0.557 119.844 120.400 0.001 0.000 2.287 349 K HA 0.238 4.558 4.320 0.000 0.000 0.199 349 K C 0.637 177.236 176.600 -0.002 0.000 1.061 349 K CA 0.428 56.714 56.287 -0.001 0.000 0.976 349 K CB 0.585 33.075 32.500 -0.016 0.000 0.898 349 K HN -0.047 nan 8.250 nan 0.000 0.492 350 L N 0.846 122.057 121.223 -0.019 0.000 2.341 350 L HA 0.369 4.710 4.340 0.000 0.000 0.267 350 L C -1.054 175.848 176.870 0.053 0.000 1.009 350 L CA -1.103 53.732 54.840 -0.009 0.000 0.819 350 L CB 1.909 43.880 42.059 -0.147 0.000 1.323 350 L HN -0.026 nan 8.230 nan 0.000 0.425 351 N N 0.927 119.712 118.700 0.141 0.000 2.296 351 N HA 0.615 5.355 4.740 0.000 0.000 0.294 351 N C -1.008 174.691 175.510 0.314 0.000 1.033 351 N CA -0.322 52.830 53.050 0.170 0.000 0.839 351 N CB 2.147 40.700 38.487 0.110 0.000 1.395 351 N HN 0.678 nan 8.380 nan 0.000 0.479 352 A N 2.845 125.816 122.820 0.253 0.000 2.320 352 A HA 0.298 4.618 4.320 0.000 0.000 0.287 352 A C 0.009 177.624 177.584 0.052 0.000 1.181 352 A CA -0.541 51.558 52.037 0.104 0.000 0.831 352 A CB -0.229 18.643 19.000 -0.214 0.000 1.102 352 A HN 0.856 nan 8.150 nan 0.000 0.513 353 N N 2.081 120.854 118.700 0.121 0.000 2.739 353 N HA 0.107 4.847 4.740 0.000 0.000 0.266 353 N C 1.228 176.829 175.510 0.151 0.000 1.168 353 N CA -0.376 52.738 53.050 0.105 0.000 1.055 353 N CB -0.001 38.529 38.487 0.072 0.000 1.393 353 N HN 0.701 nan 8.380 nan 0.000 0.514 354 R N 1.681 122.229 120.500 0.080 0.000 2.227 354 R HA -0.321 4.019 4.340 0.000 0.000 0.259 354 R C 1.916 178.290 176.300 0.123 0.000 1.139 354 R CA 2.149 58.296 56.100 0.079 0.000 0.969 354 R CB -0.478 29.836 30.300 0.023 0.000 0.903 354 R HN 0.575 nan 8.270 nan 0.000 0.452 355 A N 0.923 123.785 122.820 0.071 0.000 2.024 355 A HA -0.154 4.166 4.320 0.000 0.000 0.220 355 A C 1.592 179.179 177.584 0.006 0.000 1.164 355 A CA 1.363 53.420 52.037 0.033 0.000 0.643 355 A CB -0.158 18.847 19.000 0.008 0.000 0.806 355 A HN 0.224 nan 8.150 nan 0.000 0.451 356 E N -1.440 118.752 120.200 -0.012 0.000 2.489 356 E HA 0.054 4.405 4.350 0.000 0.000 0.193 356 E C 0.521 176.894 176.600 -0.377 0.000 1.057 356 E CA 0.448 56.713 56.400 -0.225 0.000 0.866 356 E CB -0.130 29.331 29.700 -0.398 0.000 0.916 356 E HN 0.768 nan 8.360 nan 0.000 0.500 357 F N 0.003 119.878 119.950 -0.125 0.000 2.711 357 F HA 0.226 4.753 4.527 0.000 0.000 0.296 357 F C 1.166 176.922 175.800 -0.073 0.000 1.096 357 F CA -0.596 57.336 58.000 -0.113 0.000 1.280 357 F CB 0.189 39.108 39.000 -0.136 0.000 1.060 357 F HN -0.250 nan 8.300 nan 0.000 0.608 358 R N 2.464 123.042 120.500 0.131 0.000 2.549 358 R HA -0.106 4.234 4.340 0.000 0.000 0.336 358 R C -0.246 176.073 176.300 0.031 0.000 0.891 358 R CA 0.817 56.955 56.100 0.062 0.000 1.102 358 R CB -0.644 29.679 30.300 0.039 0.000 0.899 358 R HN 0.271 nan 8.270 nan 0.000 0.407 359 D N 2.607 123.024 120.400 0.028 0.000 2.723 359 D HA -0.199 4.441 4.640 0.000 0.000 0.236 359 D C -0.882 175.423 176.300 0.008 0.000 1.138 359 D CA 1.358 55.367 54.000 0.014 0.000 0.676 359 D CB -0.278 40.526 40.800 0.007 0.000 1.069 359 D HN 0.558 nan 8.370 nan 0.000 0.430 360 K N 0.048 120.456 120.400 0.013 0.000 2.426 360 K HA 0.365 4.685 4.320 0.000 0.000 0.251 360 K C -0.408 176.201 176.600 0.014 0.000 0.941 360 K CA -0.813 55.474 56.287 0.001 0.000 0.808 360 K CB 1.387 33.867 32.500 -0.035 0.000 1.265 360 K HN -0.166 nan 8.250 nan 0.000 0.432 361 N N 1.825 120.540 118.700 0.024 0.000 2.420 361 N HA 0.213 4.954 4.740 0.000 0.000 0.249 361 N C -0.918 174.639 175.510 0.080 0.000 1.033 361 N CA -0.342 52.742 53.050 0.057 0.000 0.944 361 N CB 1.178 39.729 38.487 0.106 0.000 1.113 361 N HN 0.356 nan 8.380 nan 0.000 0.502 362 V N 0.427 120.386 119.914 0.075 0.000 2.769 362 V HA 0.670 4.790 4.120 0.000 0.000 0.312 362 V C -0.393 175.822 176.094 0.201 0.000 1.058 362 V CA -1.129 61.219 62.300 0.081 0.000 0.952 362 V CB 1.905 33.721 31.823 -0.011 0.000 1.019 362 V HN 0.368 nan 8.190 nan 0.000 0.445 363 L N 4.114 125.443 121.223 0.177 0.000 2.316 363 L HA 0.625 4.965 4.340 0.000 0.000 0.280 363 L C -0.739 176.233 176.870 0.171 0.000 1.006 363 L CA -0.154 54.833 54.840 0.244 0.000 0.836 363 L CB 0.872 43.067 42.059 0.227 0.000 1.221 363 L HN 0.732 nan 8.230 nan 0.000 0.418 364 L N 5.551 126.893 121.223 0.198 0.000 2.334 364 L HA 0.595 4.935 4.340 0.000 0.000 0.277 364 L C -0.557 176.403 176.870 0.151 0.000 1.075 364 L CA -0.939 54.015 54.840 0.189 0.000 0.804 364 L CB 1.761 43.967 42.059 0.245 0.000 1.174 364 L HN 0.312 nan 8.230 nan 0.000 0.438 365 V N 1.754 121.749 119.914 0.135 0.000 2.409 365 V HA 0.379 4.499 4.120 0.000 0.000 0.291 365 V C -0.728 175.417 176.094 0.085 0.000 1.020 365 V CA -0.424 61.933 62.300 0.094 0.000 0.848 365 V CB 1.864 33.746 31.823 0.097 0.000 0.990 365 V HN 0.663 nan 8.190 nan 0.000 0.430 366 D N 2.153 122.582 120.400 0.048 0.000 2.527 366 D HA 0.300 4.940 4.640 0.000 0.000 0.233 366 D C 0.775 177.100 176.300 0.041 0.000 1.063 366 D CA -0.472 53.555 54.000 0.045 0.000 0.880 366 D CB 2.296 43.110 40.800 0.024 0.000 1.457 366 D HN 0.635 nan 8.370 nan 0.000 0.475 367 D N 0.593 121.034 120.400 0.068 0.000 2.144 367 D HA -0.091 4.549 4.640 0.000 0.000 0.200 367 D C 0.397 176.749 176.300 0.088 0.000 0.978 367 D CA 0.613 54.661 54.000 0.081 0.000 0.833 367 D CB 0.160 41.045 40.800 0.142 0.000 0.961 367 D HN 0.278 nan 8.370 nan 0.000 0.470 368 S N -0.945 114.804 115.700 0.082 0.000 2.661 368 S HA 0.608 5.078 4.470 0.000 0.000 0.268 368 S C -1.368 173.294 174.600 0.103 0.000 1.162 368 S CA -1.097 57.188 58.200 0.140 0.000 0.817 368 S CB 1.405 64.726 63.200 0.202 0.000 1.141 368 S HN 0.136 nan 8.310 nan 0.000 0.477 369 I N 1.823 122.494 120.570 0.169 0.000 2.529 369 I HA 0.331 4.501 4.170 0.000 0.000 0.284 369 I C 0.069 176.277 176.117 0.152 0.000 1.088 369 I CA -0.777 60.605 61.300 0.137 0.000 1.062 369 I CB 1.998 40.098 38.000 0.167 0.000 1.218 369 I HN 0.563 nan 8.210 nan 0.000 0.442 370 V N 5.060 125.023 119.914 0.082 0.000 2.398 370 V HA 0.070 4.191 4.120 0.000 0.000 0.236 370 V C 1.961 178.078 176.094 0.038 0.000 1.054 370 V CA 1.038 63.367 62.300 0.047 0.000 1.060 370 V CB -0.328 31.500 31.823 0.008 0.000 0.707 370 V HN 0.703 nan 8.190 nan 0.000 0.480 371 R N 0.005 120.523 120.500 0.030 0.000 2.206 371 R HA 0.369 4.709 4.340 0.000 0.000 0.198 371 R C 1.756 178.079 176.300 0.038 0.000 0.986 371 R CA 0.865 56.981 56.100 0.026 0.000 1.029 371 R CB 0.260 30.568 30.300 0.013 0.000 0.966 371 R HN 0.614 nan 8.270 nan 0.000 0.487 372 G N 0.180 109.005 108.800 0.043 0.000 2.232 372 G HA2 -0.305 3.655 3.960 0.000 0.000 0.226 372 G HA3 -0.305 3.655 3.960 0.000 0.000 0.226 372 G C 1.052 175.967 174.900 0.024 0.000 0.996 372 G CA 0.506 45.633 45.100 0.045 0.000 0.626 372 G HN 0.273 nan 8.290 nan 0.000 0.509 373 T N 1.358 115.921 114.554 0.015 0.000 2.607 373 T HA -0.145 4.205 4.350 0.000 0.000 0.267 373 T C 2.463 177.159 174.700 -0.008 0.000 1.049 373 T CA 2.588 64.690 62.100 0.003 0.000 1.162 373 T CB -0.804 68.064 68.868 0.001 0.000 0.863 373 T HN 0.482 nan 8.240 nan 0.000 0.424 374 T N 2.386 116.932 114.554 -0.012 0.000 2.635 374 T HA -0.146 4.204 4.350 0.000 0.000 0.267 374 T C 2.464 177.141 174.700 -0.038 0.000 1.040 374 T CA 1.729 63.809 62.100 -0.032 0.000 1.156 374 T CB -0.620 68.229 68.868 -0.030 0.000 0.863 374 T HN 0.422 nan 8.240 nan 0.000 0.430 375 S N 1.184 116.874 115.700 -0.017 0.000 2.370 375 S HA -0.175 4.295 4.470 0.000 0.000 0.226 375 S C 2.018 176.616 174.600 -0.002 0.000 1.033 375 S CA 1.311 59.506 58.200 -0.008 0.000 1.011 375 S CB -0.406 62.800 63.200 0.009 0.000 0.852 375 S HN 0.615 nan 8.310 nan 0.000 0.457 376 E N 1.337 121.538 120.200 0.002 0.000 2.051 376 E HA -0.224 4.126 4.350 0.000 0.000 0.192 376 E C 2.130 178.726 176.600 -0.007 0.000 0.991 376 E CA 1.166 57.568 56.400 0.004 0.000 0.799 376 E CB -0.162 29.542 29.700 0.006 0.000 0.748 376 E HN 0.611 nan 8.360 nan 0.000 0.449 377 Q N 0.090 119.878 119.800 -0.020 0.000 2.167 377 Q HA -0.093 4.247 4.340 0.000 0.000 0.202 377 Q C 2.343 178.315 176.000 -0.047 0.000 0.970 377 Q CA 1.146 56.930 55.803 -0.031 0.000 0.855 377 Q CB 0.002 28.717 28.738 -0.037 0.000 0.911 377 Q HN 0.402 nan 8.270 nan 0.000 0.438 378 I N 0.250 120.777 120.570 -0.071 0.000 2.315 378 I HA -0.269 3.901 4.170 0.000 0.000 0.248 378 I C 2.023 178.162 176.117 0.036 0.000 1.117 378 I CA 1.013 62.243 61.300 -0.118 0.000 1.404 378 I CB -0.091 37.791 38.000 -0.196 0.000 1.071 378 I HN 0.201 nan 8.210 nan 0.000 0.419 379 I N 0.604 121.197 120.570 0.039 0.000 2.179 379 I HA -0.287 3.883 4.170 0.000 0.000 0.242 379 I C 2.437 178.571 176.117 0.029 0.000 1.088 379 I CA 1.499 62.835 61.300 0.060 0.000 1.357 379 I CB -0.310 37.711 38.000 0.034 0.000 1.051 379 I HN 0.189 nan 8.210 nan 0.000 0.409 380 E N 0.332 120.534 120.200 0.004 0.000 2.085 380 E HA -0.275 4.076 4.350 0.000 0.000 0.194 380 E C 2.312 178.896 176.600 -0.026 0.000 0.994 380 E CA 1.525 57.917 56.400 -0.013 0.000 0.801 380 E CB -0.149 29.542 29.700 -0.016 0.000 0.743 380 E HN 0.459 nan 8.360 nan 0.000 0.453 381 M N 0.115 119.705 119.600 -0.016 0.000 2.108 381 M HA -0.204 4.277 4.480 0.000 0.000 0.261 381 M C 2.480 178.682 176.300 -0.163 0.000 1.066 381 M CA 1.507 56.785 55.300 -0.036 0.000 1.107 381 M CB -0.261 32.372 32.600 0.054 0.000 1.356 381 M HN 0.151 nan 8.290 nan 0.000 0.406 382 A N 0.210 122.962 122.820 -0.114 0.000 1.898 382 A HA -0.131 4.189 4.320 0.000 0.000 0.216 382 A C 2.175 179.673 177.584 -0.142 0.000 1.181 382 A CA 1.284 53.158 52.037 -0.272 0.000 0.620 382 A CB -0.482 18.594 19.000 0.125 0.000 0.819 382 A HN 0.334 nan 8.150 nan 0.000 0.442 383 R N 0.085 120.549 120.500 -0.060 0.000 2.081 383 R HA -0.113 4.228 4.340 0.000 0.000 0.235 383 R C 1.760 178.025 176.300 -0.058 0.000 1.131 383 R CA 1.615 57.691 56.100 -0.041 0.000 0.960 383 R CB -0.695 29.586 30.300 -0.031 0.000 0.856 383 R HN 0.736 nan 8.270 nan 0.000 0.436 384 E N 0.282 120.435 120.200 -0.079 0.000 2.338 384 E HA -0.050 4.300 4.350 0.000 0.000 0.197 384 E C 1.381 177.924 176.600 -0.095 0.000 1.007 384 E CA 0.819 57.175 56.400 -0.073 0.000 0.849 384 E CB 0.072 29.732 29.700 -0.066 0.000 0.774 384 E HN 0.276 nan 8.360 nan 0.000 0.506 385 A N 0.119 122.839 122.820 -0.166 0.000 2.275 385 A HA 0.339 4.659 4.320 0.000 0.000 0.212 385 A C 1.600 179.164 177.584 -0.033 0.000 1.201 385 A CA 0.669 52.605 52.037 -0.168 0.000 0.843 385 A CB 0.027 18.746 19.000 -0.468 0.000 0.873 385 A HN 0.305 nan 8.150 nan 0.000 0.492 386 G N -2.089 106.701 108.800 -0.017 0.000 2.184 386 G HA2 0.152 4.112 3.960 0.000 0.000 0.206 386 G HA3 0.152 4.112 3.960 0.000 0.000 0.206 386 G C 0.394 175.322 174.900 0.047 0.000 0.995 386 G CA 0.015 45.127 45.100 0.021 0.000 0.651 386 G HN 1.496 nan 8.290 nan 0.000 0.511 387 A N 0.312 123.176 122.820 0.074 0.000 2.477 387 A HA 0.672 4.992 4.320 0.000 0.000 0.246 387 A C 1.253 178.849 177.584 0.020 0.000 1.078 387 A CA 1.204 53.292 52.037 0.085 0.000 0.770 387 A CB 0.410 19.509 19.000 0.165 0.000 1.011 387 A HN 0.396 nan 8.150 nan 0.000 0.494 388 K N 1.098 121.501 120.400 0.004 0.000 1.997 388 K HA 0.026 4.347 4.320 0.000 0.000 0.212 388 K C 0.079 176.638 176.600 -0.068 0.000 1.033 388 K CA 0.878 57.152 56.287 -0.023 0.000 0.950 388 K CB -0.138 32.355 32.500 -0.012 0.000 0.751 388 K HN 0.516 nan 8.250 nan 0.000 0.444 389 K N 1.528 121.865 120.400 -0.105 0.000 2.182 389 K HA 0.348 4.668 4.320 0.000 0.000 0.262 389 K C -0.970 175.407 176.600 -0.372 0.000 0.957 389 K CA -0.502 55.615 56.287 -0.283 0.000 0.842 389 K CB 2.230 34.542 32.500 -0.313 0.000 1.099 389 K HN -0.104 nan 8.250 nan 0.000 0.438 390 V N 4.385 124.018 119.914 -0.468 0.000 2.407 390 V HA 0.343 4.463 4.120 0.000 0.000 0.291 390 V C -1.133 174.716 176.094 -0.409 0.000 1.018 390 V CA -0.938 61.190 62.300 -0.287 0.000 0.842 390 V CB 0.540 32.318 31.823 -0.075 0.000 0.996 390 V HN 0.533 nan 8.190 nan 0.000 0.426 391 Y N 4.651 124.996 120.300 0.076 0.000 2.387 391 Y HA 0.738 5.288 4.550 0.000 0.000 0.336 391 Y C -0.196 175.810 175.900 0.177 0.000 1.067 391 Y CA -1.042 57.131 58.100 0.122 0.000 1.114 391 Y CB 1.839 40.372 38.460 0.121 0.000 1.208 391 Y HN 0.525 nan 8.280 nan 0.000 0.458 392 L N 2.794 124.220 121.223 0.338 0.000 2.341 392 L HA 0.913 5.254 4.340 0.000 0.000 0.278 392 L C -0.868 176.063 176.870 0.102 0.000 1.005 392 L CA -0.784 54.163 54.840 0.179 0.000 0.818 392 L CB 1.350 43.453 42.059 0.074 0.000 1.259 392 L HN 0.698 nan 8.230 nan 0.000 0.418 393 A N 3.081 125.913 122.820 0.020 0.000 2.330 393 A HA 0.711 5.031 4.320 0.000 0.000 0.313 393 A C -0.765 176.741 177.584 -0.129 0.000 1.124 393 A CA -0.438 51.541 52.037 -0.098 0.000 0.774 393 A CB 1.256 20.223 19.000 -0.055 0.000 1.198 393 A HN 0.692 nan 8.150 nan 0.000 0.465 394 S N 2.038 117.597 115.700 -0.236 0.000 2.433 394 S HA 0.504 4.974 4.470 0.000 0.000 0.310 394 S C 1.130 175.702 174.600 -0.048 0.000 1.097 394 S CA 0.046 58.149 58.200 -0.162 0.000 1.103 394 S CB 1.073 64.079 63.200 -0.323 0.000 0.992 394 S HN 1.496 nan 8.310 nan 0.000 0.469 395 A N 4.173 126.992 122.820 -0.002 0.000 2.125 395 A HA 0.437 4.757 4.320 0.000 0.000 0.219 395 A C 1.109 178.705 177.584 0.019 0.000 1.156 395 A CA 1.097 53.135 52.037 0.001 0.000 0.671 395 A CB -0.493 18.512 19.000 0.009 0.000 0.794 395 A HN 1.142 nan 8.150 nan 0.000 0.459 396 A N -0.605 122.273 122.820 0.098 0.000 2.337 396 A HA 0.709 5.029 4.320 0.000 0.000 0.331 396 A C -2.834 174.895 177.584 0.242 0.000 1.137 396 A CA -1.999 50.123 52.037 0.142 0.000 0.807 396 A CB 0.773 19.981 19.000 0.345 0.000 1.250 396 A HN 0.101 nan 8.150 nan 0.000 0.468 397 P HA 0.212 nan 4.420 nan 0.000 0.272 397 P C -0.564 176.923 177.300 0.312 0.000 1.254 397 P CA -0.189 62.972 63.100 0.101 0.000 0.795 397 P CB 0.325 31.884 31.700 -0.235 0.000 1.022 398 E N -0.095 120.040 120.200 -0.108 0.000 2.442 398 E HA 0.079 4.429 4.350 0.000 0.000 0.262 398 E C -0.293 176.403 176.600 0.160 0.000 1.004 398 E CA 0.652 56.889 56.400 -0.271 0.000 0.928 398 E CB -0.269 29.061 29.700 -0.616 0.000 0.937 398 E HN 0.258 nan 8.360 nan 0.000 0.446 399 I N 3.678 124.316 120.570 0.114 0.000 2.330 399 I HA 0.210 4.380 4.170 0.000 0.000 0.286 399 I C 0.963 177.034 176.117 -0.078 0.000 1.025 399 I CA -0.139 61.179 61.300 0.030 0.000 1.197 399 I CB 0.606 38.606 38.000 0.001 0.000 1.358 399 I HN 0.438 nan 8.210 nan 0.000 0.467 400 R N 4.090 124.495 120.500 -0.158 0.000 2.419 400 R HA 0.303 4.644 4.340 0.000 0.000 0.235 400 R C -0.540 175.301 176.300 -0.765 0.000 0.899 400 R CA 0.177 55.996 56.100 -0.470 0.000 1.048 400 R CB 0.587 30.456 30.300 -0.719 0.000 1.182 400 R HN 0.316 nan 8.270 nan 0.000 0.544 401 F N 1.592 121.495 119.950 -0.078 0.000 2.579 401 F HA 0.488 5.015 4.527 0.000 0.000 0.324 401 F C -2.187 173.537 175.800 -0.126 0.000 1.058 401 F CA -3.113 54.841 58.000 -0.076 0.000 0.944 401 F CB 1.117 40.081 39.000 -0.060 0.000 1.245 401 F HN -0.253 nan 8.300 nan 0.000 0.477 402 P HA 0.096 nan 4.420 nan 0.000 0.286 402 P C -1.257 176.043 177.300 -0.001 0.000 1.261 402 P CA -0.428 62.669 63.100 -0.005 0.000 0.821 402 P CB 1.320 33.014 31.700 -0.008 0.000 1.013 403 N N 1.956 120.585 118.700 -0.119 0.000 2.426 403 N HA 0.183 4.924 4.740 0.000 0.000 0.275 403 N C 0.164 175.594 175.510 -0.134 0.000 1.019 403 N CA -0.387 52.565 53.050 -0.163 0.000 0.941 403 N CB 1.066 39.404 38.487 -0.250 0.000 1.123 403 N HN 0.175 nan 8.380 nan 0.000 0.486 404 V N 1.904 121.683 119.914 -0.225 0.000 2.940 404 V HA 0.370 4.491 4.120 0.000 0.000 0.366 404 V C -0.725 175.328 176.094 -0.069 0.000 1.353 404 V CA -0.309 61.905 62.300 -0.143 0.000 1.232 404 V CB -1.047 30.710 31.823 -0.110 0.000 1.278 404 V HN 0.503 nan 8.190 nan 0.000 0.546 405 Y N 1.081 121.395 120.300 0.023 0.000 2.707 405 Y HA 0.720 5.270 4.550 0.000 0.000 0.249 405 Y C 1.650 177.524 175.900 -0.043 0.000 1.166 405 Y CA -0.963 57.141 58.100 0.006 0.000 1.184 405 Y CB 0.977 39.435 38.460 -0.003 0.000 1.240 405 Y HN 0.425 nan 8.280 nan 0.000 0.547 406 G N -0.071 108.767 108.800 0.062 0.000 2.205 406 G HA2 -0.161 3.799 3.960 0.000 0.000 0.180 406 G HA3 -0.161 3.799 3.960 0.000 0.000 0.180 406 G C -0.427 174.350 174.900 -0.205 0.000 1.004 406 G CA -0.516 44.556 45.100 -0.045 0.000 0.670 406 G HN 0.025 nan 8.290 nan 0.000 0.496 407 I N 1.786 122.213 120.570 -0.238 0.000 2.339 407 I HA 0.389 4.559 4.170 0.000 0.000 0.290 407 I C -0.525 175.444 176.117 -0.247 0.000 0.994 407 I CA -1.363 59.689 61.300 -0.412 0.000 1.191 407 I CB 1.335 39.054 38.000 -0.469 0.000 1.343 407 I HN 0.096 nan 8.210 nan 0.000 0.458 408 D N 7.104 127.399 120.400 -0.175 0.000 2.339 408 D HA 0.324 4.964 4.640 0.000 0.000 0.241 408 D C -0.348 175.928 176.300 -0.040 0.000 1.183 408 D CA -0.125 53.872 54.000 -0.005 0.000 0.859 408 D CB 0.612 41.549 40.800 0.228 0.000 1.067 408 D HN 0.126 nan 8.370 nan 0.000 0.484 409 M N 3.671 123.215 119.600 -0.093 0.000 2.508 409 M HA 0.459 4.939 4.480 0.000 0.000 0.327 409 M C -2.065 174.193 176.300 -0.069 0.000 1.160 409 M CA -2.609 52.619 55.300 -0.121 0.000 0.980 409 M CB 0.897 33.377 32.600 -0.201 0.000 1.693 409 M HN 0.219 nan 8.290 nan 0.000 0.452 410 P HA 0.229 nan 4.420 nan 0.000 0.274 410 P C -0.611 176.645 177.300 -0.074 0.000 1.260 410 P CA -0.344 62.727 63.100 -0.048 0.000 0.793 410 P CB 0.306 31.983 31.700 -0.039 0.000 1.048 411 S N 0.099 115.758 115.700 -0.068 0.000 2.563 411 S HA 0.128 4.599 4.470 0.000 0.000 0.284 411 S C 1.598 176.113 174.600 -0.143 0.000 1.331 411 S CA 0.106 58.252 58.200 -0.091 0.000 1.047 411 S CB 0.296 63.455 63.200 -0.069 0.000 0.859 411 S HN 0.572 nan 8.310 nan 0.000 0.514 412 A N 2.724 125.414 122.820 -0.217 0.000 1.958 412 A HA -0.170 4.151 4.320 0.000 0.000 0.221 412 A C 2.171 179.475 177.584 -0.466 0.000 1.178 412 A CA 2.282 54.055 52.037 -0.439 0.000 0.642 412 A CB -1.503 17.151 19.000 -0.577 0.000 0.816 412 A HN 0.835 nan 8.150 nan 0.000 0.453 413 T N -0.160 114.266 114.554 -0.213 0.000 2.951 413 T HA -0.064 4.287 4.350 0.000 0.000 0.268 413 T C 1.541 176.250 174.700 0.016 0.000 1.073 413 T CA 1.170 63.270 62.100 0.001 0.000 1.134 413 T CB -0.170 68.707 68.868 0.014 0.000 0.884 413 T HN 0.573 nan 8.240 nan 0.000 0.479 414 E N 1.208 121.389 120.200 -0.033 0.000 2.274 414 E HA 0.051 4.401 4.350 0.000 0.000 0.194 414 E C 0.533 177.128 176.600 -0.009 0.000 0.996 414 E CA 0.314 56.703 56.400 -0.017 0.000 0.840 414 E CB -0.206 29.475 29.700 -0.031 0.000 0.772 414 E HN 0.529 nan 8.360 nan 0.000 0.491 415 L N 2.244 123.451 121.223 -0.026 0.000 2.385 415 L HA 0.133 4.473 4.340 0.000 0.000 0.281 415 L C 1.756 178.649 176.870 0.038 0.000 1.106 415 L CA -0.176 54.657 54.840 -0.013 0.000 0.856 415 L CB 0.581 42.600 42.059 -0.066 0.000 1.186 415 L HN 0.009 nan 8.230 nan 0.000 0.453 416 I N 2.860 123.455 120.570 0.040 0.000 2.264 416 I HA -0.303 3.867 4.170 0.000 0.000 0.248 416 I C 2.393 178.535 176.117 0.041 0.000 1.111 416 I CA 1.599 62.929 61.300 0.050 0.000 1.382 416 I CB 0.328 38.368 38.000 0.066 0.000 1.060 416 I HN 0.840 nan 8.210 nan 0.000 0.418 417 A N -0.686 122.152 122.820 0.031 0.000 2.119 417 A HA -0.212 4.108 4.320 0.000 0.000 0.217 417 A C 1.434 178.981 177.584 -0.060 0.000 1.153 417 A CA 0.343 52.363 52.037 -0.028 0.000 0.692 417 A CB -0.906 18.045 19.000 -0.081 0.000 0.799 417 A HN 0.651 nan 8.150 nan 0.000 0.458 418 H N 0.255 119.239 119.070 -0.142 0.000 3.191 418 H HA 0.234 4.790 4.556 0.000 0.000 0.261 418 H C 1.244 176.496 175.328 -0.126 0.000 1.013 418 H CA 0.708 56.644 56.048 -0.187 0.000 1.457 418 H CB -0.333 29.325 29.762 -0.173 0.000 1.535 418 H HN 0.538 nan 8.280 nan 0.000 0.518 419 G N 4.808 113.349 108.800 -0.431 0.000 2.160 419 G HA2 -0.266 3.694 3.960 0.000 0.000 0.251 419 G HA3 -0.266 3.694 3.960 0.000 0.000 0.251 419 G C 0.072 174.853 174.900 -0.199 0.000 1.008 419 G CA 0.178 45.045 45.100 -0.389 0.000 0.724 419 G HN 0.694 nan 8.290 nan 0.000 0.514 420 R N -0.376 120.044 120.500 -0.134 0.000 2.621 420 R HA 0.436 4.776 4.340 0.000 0.000 0.284 420 R C -0.597 175.674 176.300 -0.047 0.000 0.998 420 R CA -0.967 55.092 56.100 -0.068 0.000 0.895 420 R CB 1.278 31.557 30.300 -0.035 0.000 1.195 420 R HN 0.124 nan 8.270 nan 0.000 0.450 421 E N 1.619 121.807 120.200 -0.019 0.000 2.373 421 E HA 0.027 4.377 4.350 0.000 0.000 0.263 421 E C 1.193 177.819 176.600 0.043 0.000 1.073 421 E CA -0.075 56.326 56.400 0.001 0.000 0.894 421 E CB 1.430 31.138 29.700 0.014 0.000 1.008 421 E HN 0.335 nan 8.360 nan 0.000 0.420 422 V N 2.426 122.380 119.914 0.066 0.000 2.277 422 V HA -0.355 3.765 4.120 0.000 0.000 0.255 422 V C 1.887 178.085 176.094 0.173 0.000 1.074 422 V CA 2.543 64.947 62.300 0.174 0.000 1.058 422 V CB -0.515 31.440 31.823 0.221 0.000 0.656 422 V HN 0.715 nan 8.190 nan 0.000 0.449 423 D N -0.698 119.778 120.400 0.126 0.000 2.144 423 D HA -0.202 4.438 4.640 0.000 0.000 0.199 423 D C 2.263 178.617 176.300 0.090 0.000 0.984 423 D CA 1.391 55.458 54.000 0.112 0.000 0.834 423 D CB -0.124 40.729 40.800 0.088 0.000 0.955 423 D HN 0.564 nan 8.370 nan 0.000 0.465 424 E N -0.482 119.760 120.200 0.070 0.000 2.153 424 E HA -0.143 4.207 4.350 0.000 0.000 0.194 424 E C 2.063 178.703 176.600 0.066 0.000 0.988 424 E CA 0.603 57.034 56.400 0.052 0.000 0.811 424 E CB 0.032 29.749 29.700 0.029 0.000 0.746 424 E HN 0.422 nan 8.360 nan 0.000 0.466 425 I N 0.264 120.892 120.570 0.097 0.000 2.233 425 I HA -0.211 3.960 4.170 0.000 0.000 0.243 425 I C 2.792 178.981 176.117 0.120 0.000 1.093 425 I CA 0.666 62.039 61.300 0.123 0.000 1.380 425 I CB -0.308 37.814 38.000 0.203 0.000 1.067 425 I HN 0.064 nan 8.210 nan 0.000 0.413 426 R N 1.048 121.629 120.500 0.136 0.000 2.105 426 R HA -0.234 4.106 4.340 0.000 0.000 0.239 426 R C 2.193 178.540 176.300 0.078 0.000 1.135 426 R CA 1.785 57.956 56.100 0.118 0.000 0.967 426 R CB -0.114 30.271 30.300 0.142 0.000 0.861 426 R HN 0.472 nan 8.270 nan 0.000 0.442 427 Q N 0.038 119.878 119.800 0.068 0.000 2.016 427 Q HA -0.113 4.227 4.340 0.000 0.000 0.200 427 Q C 2.274 178.297 176.000 0.037 0.000 0.978 427 Q CA 1.697 57.527 55.803 0.045 0.000 0.833 427 Q CB -0.093 28.669 28.738 0.039 0.000 0.895 427 Q HN 0.383 nan 8.270 nan 0.000 0.427 428 I N 1.144 121.739 120.570 0.042 0.000 2.208 428 I HA -0.274 3.896 4.170 0.000 0.000 0.245 428 I C 2.276 178.413 176.117 0.033 0.000 1.097 428 I CA 1.206 62.527 61.300 0.035 0.000 1.363 428 I CB -0.344 37.679 38.000 0.039 0.000 1.051 428 I HN 0.321 nan 8.210 nan 0.000 0.413 429 I N -1.406 119.190 120.570 0.043 0.000 3.684 429 I HA 0.317 4.487 4.170 0.000 0.000 0.304 429 I C 1.383 177.515 176.117 0.026 0.000 1.278 429 I CA 0.531 61.852 61.300 0.036 0.000 1.272 429 I CB -0.493 37.534 38.000 0.045 0.000 1.029 429 I HN 0.252 nan 8.210 nan 0.000 0.458 430 G N 1.730 110.544 108.800 0.023 0.000 2.249 430 G HA2 -0.213 3.747 3.960 0.000 0.000 0.273 430 G HA3 -0.213 3.747 3.960 0.000 0.000 0.273 430 G C 0.265 175.165 174.900 -0.000 0.000 1.036 430 G CA 0.216 45.322 45.100 0.009 0.000 0.824 430 G HN 0.974 nan 8.290 nan 0.000 0.504 431 A N -0.724 122.104 122.820 0.014 0.000 2.293 431 A HA 0.683 5.004 4.320 0.000 0.000 0.302 431 A C 1.111 178.680 177.584 -0.025 0.000 1.119 431 A CA 0.248 52.285 52.037 -0.000 0.000 0.823 431 A CB 0.662 19.694 19.000 0.053 0.000 1.097 431 A HN 0.130 nan 8.150 nan 0.000 0.491 432 D N 0.724 121.046 120.400 -0.130 0.000 2.224 432 D HA 0.116 4.756 4.640 0.000 0.000 0.205 432 D C 0.822 177.131 176.300 0.015 0.000 0.965 432 D CA 1.786 55.691 54.000 -0.157 0.000 0.852 432 D CB 0.310 40.842 40.800 -0.446 0.000 0.947 432 D HN 0.694 nan 8.370 nan 0.000 0.494 433 G N 0.115 109.007 108.800 0.153 0.000 2.733 433 G HA2 0.488 4.448 3.960 0.000 0.000 0.297 433 G HA3 0.488 4.448 3.960 0.000 0.000 0.297 433 G C -2.119 173.063 174.900 0.471 0.000 1.422 433 G CA -0.476 44.814 45.100 0.318 0.000 0.942 433 G HN 0.041 nan 8.290 nan 0.000 0.510 434 L N 1.488 123.034 121.223 0.539 0.000 2.464 434 L HA 0.873 5.213 4.340 0.000 0.000 0.266 434 L C -1.376 175.653 176.870 0.264 0.000 0.965 434 L CA -0.939 54.105 54.840 0.340 0.000 0.833 434 L CB 1.836 44.002 42.059 0.178 0.000 1.296 434 L HN 0.641 nan 8.230 nan 0.000 0.405 435 I N 3.759 124.292 120.570 -0.061 0.000 2.619 435 I HA 0.538 4.708 4.170 0.000 0.000 0.292 435 I C -1.486 174.458 176.117 -0.289 0.000 1.100 435 I CA -0.384 60.773 61.300 -0.238 0.000 1.043 435 I CB 1.567 39.100 38.000 -0.779 0.000 1.239 435 I HN 0.568 nan 8.210 nan 0.000 0.420 436 F N 4.178 124.069 119.950 -0.098 0.000 2.483 436 F HA 0.480 5.007 4.527 0.000 0.000 0.329 436 F C 0.281 176.018 175.800 -0.106 0.000 1.064 436 F CA -0.428 57.533 58.000 -0.064 0.000 0.986 436 F CB 1.281 40.270 39.000 -0.017 0.000 1.218 436 F HN 0.407 nan 8.300 nan 0.000 0.484 437 Q N 1.251 121.119 119.800 0.113 0.000 2.327 437 Q HA 0.146 4.486 4.340 0.000 0.000 0.254 437 Q C -1.197 174.788 176.000 -0.025 0.000 0.952 437 Q CA -0.247 55.551 55.803 -0.009 0.000 0.884 437 Q CB 0.580 29.292 28.738 -0.043 0.000 1.224 437 Q HN 0.380 nan 8.270 nan 0.000 0.422 438 D N 3.180 123.541 120.400 -0.065 0.000 2.350 438 D HA -0.011 4.629 4.640 0.000 0.000 0.249 438 D C 0.791 177.013 176.300 -0.130 0.000 1.119 438 D CA -0.153 53.801 54.000 -0.077 0.000 0.886 438 D CB 1.161 41.921 40.800 -0.067 0.000 1.195 438 D HN 0.628 nan 8.370 nan 0.000 0.437 439 L N 4.410 125.543 121.223 -0.151 0.000 2.042 439 L HA -0.242 4.098 4.340 0.000 0.000 0.210 439 L C 1.763 178.536 176.870 -0.162 0.000 1.076 439 L CA 1.765 56.470 54.840 -0.225 0.000 0.749 439 L CB -0.634 41.323 42.059 -0.170 0.000 0.893 439 L HN 0.442 nan 8.230 nan 0.000 0.432 440 N N -1.101 117.540 118.700 -0.098 0.000 2.149 440 N HA -0.223 4.517 4.740 0.000 0.000 0.188 440 N C 1.371 176.832 175.510 -0.082 0.000 1.019 440 N CA 1.753 54.762 53.050 -0.068 0.000 0.857 440 N CB -0.861 37.599 38.487 -0.044 0.000 0.997 440 N HN 0.393 nan 8.380 nan 0.000 0.426 441 D N 0.636 120.978 120.400 -0.096 0.000 2.117 441 D HA -0.052 4.588 4.640 0.000 0.000 0.198 441 D C 2.024 178.248 176.300 -0.127 0.000 0.982 441 D CA 0.299 54.240 54.000 -0.098 0.000 0.828 441 D CB -0.276 40.469 40.800 -0.091 0.000 0.967 441 D HN 0.174 nan 8.370 nan 0.000 0.464 442 L N 0.587 121.709 121.223 -0.169 0.000 2.056 442 L HA -0.042 4.298 4.340 0.000 0.000 0.207 442 L C 1.935 178.657 176.870 -0.245 0.000 1.078 442 L CA 1.334 56.047 54.840 -0.212 0.000 0.749 442 L CB -0.488 41.403 42.059 -0.280 0.000 0.901 442 L HN 0.028 nan 8.230 nan 0.000 0.433 443 I N -0.155 120.284 120.570 -0.218 0.000 2.127 443 I HA -0.301 3.869 4.170 0.000 0.000 0.241 443 I C 2.014 178.066 176.117 -0.108 0.000 1.075 443 I CA 1.563 62.745 61.300 -0.195 0.000 1.334 443 I CB -0.614 37.362 38.000 -0.040 0.000 1.040 443 I HN 0.272 nan 8.210 nan 0.000 0.405 444 D N 1.150 121.505 120.400 -0.074 0.000 2.144 444 D HA -0.136 4.504 4.640 0.000 0.000 0.199 444 D C 2.245 178.499 176.300 -0.077 0.000 0.984 444 D CA 1.464 55.436 54.000 -0.048 0.000 0.834 444 D CB -0.301 40.472 40.800 -0.045 0.000 0.955 444 D HN 0.346 nan 8.370 nan 0.000 0.465 445 A N 0.555 123.307 122.820 -0.115 0.000 1.883 445 A HA -0.179 4.141 4.320 0.000 0.000 0.217 445 A C 2.472 179.966 177.584 -0.149 0.000 1.186 445 A CA 1.715 53.676 52.037 -0.126 0.000 0.624 445 A CB -0.741 18.176 19.000 -0.138 0.000 0.822 445 A HN 0.178 nan 8.150 nan 0.000 0.444 446 V N -0.636 119.145 119.914 -0.222 0.000 2.346 446 V HA -0.143 3.977 4.120 0.000 0.000 0.244 446 V C 2.538 178.550 176.094 -0.136 0.000 1.037 446 V CA 1.866 63.986 62.300 -0.301 0.000 1.029 446 V CB -0.822 30.608 31.823 -0.654 0.000 0.663 446 V HN 0.584 nan 8.190 nan 0.000 0.454 447 R N 0.442 120.935 120.500 -0.011 0.000 2.127 447 R HA -0.186 4.155 4.340 0.000 0.000 0.238 447 R C 2.262 178.579 176.300 0.028 0.000 1.134 447 R CA 1.522 57.689 56.100 0.112 0.000 0.975 447 R CB -0.471 29.921 30.300 0.154 0.000 0.865 447 R HN 0.518 nan 8.270 nan 0.000 0.447 448 A N 0.773 123.585 122.820 -0.012 0.000 2.076 448 A HA -0.158 4.163 4.320 0.000 0.000 0.220 448 A C 1.581 179.157 177.584 -0.013 0.000 1.160 448 A CA 1.440 53.466 52.037 -0.019 0.000 0.653 448 A CB -0.224 18.753 19.000 -0.039 0.000 0.801 448 A HN 0.303 nan 8.150 nan 0.000 0.455 449 E N -0.848 119.343 120.200 -0.015 0.000 2.435 449 E HA -0.015 4.335 4.350 0.000 0.000 0.195 449 E C -0.077 176.543 176.600 0.033 0.000 1.029 449 E CA 0.473 56.877 56.400 0.006 0.000 0.865 449 E CB -0.044 29.654 29.700 -0.002 0.000 0.833 449 E HN 0.633 nan 8.360 nan 0.000 0.510 450 N N -0.493 118.225 118.700 0.029 0.000 3.357 450 N HA 0.096 4.836 4.740 0.000 0.000 0.206 450 N C -2.717 172.803 175.510 0.016 0.000 1.458 450 N CA -0.860 52.210 53.050 0.034 0.000 0.776 450 N CB 0.941 39.461 38.487 0.055 0.000 1.626 450 N HN -0.296 nan 8.380 nan 0.000 0.644 451 P HA 0.041 nan 4.420 nan 0.000 0.236 451 P C 0.091 177.379 177.300 -0.020 0.000 1.172 451 P CA 0.673 63.771 63.100 -0.003 0.000 0.759 451 P CB 0.308 32.007 31.700 -0.002 0.000 0.843 452 D N -0.937 119.451 120.400 -0.021 0.000 2.317 452 D HA -0.025 4.615 4.640 0.000 0.000 0.211 452 D C 0.697 176.954 176.300 -0.072 0.000 0.966 452 D CA 0.691 54.671 54.000 -0.033 0.000 0.876 452 D CB -0.038 40.752 40.800 -0.017 0.000 0.927 452 D HN 0.161 nan 8.370 nan 0.000 0.519 453 I N 2.474 122.980 120.570 -0.106 0.000 2.294 453 I HA 0.031 4.201 4.170 0.000 0.000 0.295 453 I C 1.417 177.381 176.117 -0.256 0.000 1.098 453 I CA 0.049 61.207 61.300 -0.237 0.000 1.277 453 I CB 1.012 38.794 38.000 -0.363 0.000 1.434 453 I HN -0.117 nan 8.210 nan 0.000 0.498 454 Q N 4.189 123.864 119.800 -0.208 0.000 2.123 454 Q HA 0.031 4.371 4.340 0.000 0.000 0.196 454 Q C 0.693 176.597 176.000 -0.160 0.000 0.958 454 Q CA 0.795 56.515 55.803 -0.137 0.000 0.841 454 Q CB 0.682 29.369 28.738 -0.085 0.000 0.915 454 Q HN 0.667 nan 8.270 nan 0.000 0.455 455 Q N -0.834 118.819 119.800 -0.245 0.000 2.413 455 Q HA 0.512 4.853 4.340 0.000 0.000 0.276 455 Q C -1.545 174.258 176.000 -0.328 0.000 1.099 455 Q CA -0.383 55.320 55.803 -0.166 0.000 0.814 455 Q CB 1.628 30.329 28.738 -0.061 0.000 1.379 455 Q HN -0.073 nan 8.270 nan 0.000 0.436 456 F N 0.293 120.259 119.950 0.027 0.000 2.575 456 F HA 0.353 4.881 4.527 0.000 0.000 0.330 456 F C 0.175 176.019 175.800 0.073 0.000 1.056 456 F CA -0.850 57.187 58.000 0.063 0.000 0.964 456 F CB 1.486 40.538 39.000 0.087 0.000 1.258 456 F HN 0.381 nan 8.300 nan 0.000 0.484 457 E N 1.003 121.396 120.200 0.322 0.000 2.105 457 E HA 0.248 4.598 4.350 0.000 0.000 0.285 457 E C -0.910 175.838 176.600 0.247 0.000 1.055 457 E CA -0.028 56.506 56.400 0.224 0.000 0.843 457 E CB 0.739 30.557 29.700 0.196 0.000 1.067 457 E HN 0.729 nan 8.360 nan 0.000 0.398 458 C N 3.358 122.765 119.300 0.179 0.000 2.859 458 C HA 0.115 4.576 4.460 0.000 0.000 0.256 458 C C 1.979 176.978 174.990 0.015 0.000 1.660 458 C CA -0.089 59.065 59.018 0.227 0.000 1.755 458 C CB -1.533 26.397 27.740 0.316 0.000 3.127 458 C HN 0.717 nan 8.230 nan 0.000 0.494 459 S N 2.049 117.639 115.700 -0.184 0.000 2.372 459 S HA -0.239 4.231 4.470 0.000 0.000 0.227 459 S C 1.890 176.277 174.600 -0.355 0.000 1.044 459 S CA 2.152 60.035 58.200 -0.529 0.000 1.050 459 S CB -1.107 61.554 63.200 -0.898 0.000 0.901 459 S HN 0.839 nan 8.310 nan 0.000 0.447 460 V N -1.441 118.295 119.914 -0.297 0.000 2.568 460 V HA -0.091 4.029 4.120 0.000 0.000 0.253 460 V C 2.047 178.074 176.094 -0.111 0.000 1.072 460 V CA 1.667 63.793 62.300 -0.289 0.000 1.084 460 V CB -1.457 29.982 31.823 -0.640 0.000 0.676 460 V HN 0.427 nan 8.190 nan 0.000 0.469 461 F N 2.294 122.316 119.950 0.120 0.000 2.446 461 F HA 0.236 4.763 4.527 0.000 0.000 0.292 461 F C 1.855 177.774 175.800 0.199 0.000 1.096 461 F CA 0.831 58.924 58.000 0.155 0.000 1.438 461 F CB -0.449 38.598 39.000 0.079 0.000 1.107 461 F HN 0.523 nan 8.300 nan 0.000 0.546 462 N N -1.128 117.642 118.700 0.117 0.000 2.241 462 N HA 0.210 4.950 4.740 0.000 0.000 0.238 462 N C 1.219 176.140 175.510 -0.983 0.000 1.244 462 N CA 0.358 53.276 53.050 -0.222 0.000 0.880 462 N CB 0.118 38.550 38.487 -0.092 0.000 1.179 462 N HN 0.177 nan 8.380 nan 0.000 0.513 463 G N -0.255 107.436 108.800 -1.849 0.000 2.200 463 G HA2 -0.276 3.684 3.960 0.000 0.000 0.267 463 G HA3 -0.276 3.684 3.960 0.000 0.000 0.267 463 G C -0.387 174.020 174.900 -0.821 0.000 0.993 463 G CA 0.803 44.841 45.100 -1.770 0.000 0.701 463 G HN 0.348 nan 8.290 nan 0.000 0.524 464 V N 0.993 120.502 119.914 -0.675 0.000 2.333 464 V HA 0.460 4.580 4.120 0.000 0.000 0.274 464 V C -0.273 175.582 176.094 -0.399 0.000 1.028 464 V CA -0.922 61.167 62.300 -0.352 0.000 0.851 464 V CB 0.690 32.402 31.823 -0.184 0.000 1.000 464 V HN 0.245 nan 8.190 nan 0.000 0.456 465 Y N 4.268 124.543 120.300 -0.042 0.000 2.454 465 Y HA 0.234 4.784 4.550 0.000 0.000 0.345 465 Y C 1.350 177.316 175.900 0.110 0.000 0.970 465 Y CA -0.511 57.617 58.100 0.048 0.000 1.204 465 Y CB 1.217 39.672 38.460 -0.009 0.000 1.122 465 Y HN 0.561 nan 8.280 nan 0.000 0.514 466 V N 0.230 120.280 119.914 0.227 0.000 2.428 466 V HA -0.320 3.800 4.120 0.000 0.000 0.255 466 V C 1.678 177.836 176.094 0.107 0.000 1.080 466 V CA 2.587 64.960 62.300 0.122 0.000 1.083 466 V CB -1.202 30.651 31.823 0.050 0.000 0.665 466 V HN 0.877 nan 8.190 nan 0.000 0.461 467 T N -3.176 111.486 114.554 0.180 0.000 3.118 467 T HA 0.043 4.394 4.350 0.000 0.000 0.260 467 T C 0.804 175.557 174.700 0.088 0.000 1.139 467 T CA 0.317 62.480 62.100 0.105 0.000 1.085 467 T CB -0.526 68.412 68.868 0.116 0.000 0.934 467 T HN 0.609 nan 8.240 nan 0.000 0.518 468 K N 2.712 123.182 120.400 0.116 0.000 3.730 468 K HA -0.158 4.162 4.320 0.000 0.000 0.276 468 K C -0.151 176.467 176.600 0.031 0.000 0.904 468 K CA 1.189 57.521 56.287 0.075 0.000 0.741 468 K CB -2.004 30.526 32.500 0.050 0.000 1.542 468 K HN 0.904 nan 8.250 nan 0.000 0.446 469 D N -2.054 118.344 120.400 -0.003 0.000 2.682 469 D HA 0.061 4.701 4.640 0.000 0.000 0.291 469 D C -0.309 175.908 176.300 -0.140 0.000 1.585 469 D CA -0.274 53.692 54.000 -0.056 0.000 0.845 469 D CB -0.085 40.681 40.800 -0.057 0.000 1.323 469 D HN -0.019 nan 8.370 nan 0.000 0.438 470 V N 1.722 121.524 119.914 -0.186 0.000 2.513 470 V HA 0.661 4.781 4.120 0.000 0.000 0.299 470 V C -0.414 175.555 176.094 -0.208 0.000 1.035 470 V CA -0.449 61.648 62.300 -0.337 0.000 0.889 470 V CB 1.839 33.142 31.823 -0.866 0.000 0.988 470 V HN 0.344 nan 8.190 nan 0.000 0.440 471 D N 2.264 122.589 120.400 -0.124 0.000 2.759 471 D HA 0.203 4.843 4.640 0.000 0.000 0.321 471 D C 0.393 176.689 176.300 -0.005 0.000 1.267 471 D CA -0.699 53.280 54.000 -0.035 0.000 0.933 471 D CB 0.917 41.721 40.800 0.007 0.000 1.431 471 D HN 0.129 nan 8.370 nan 0.000 0.504 472 Q N -0.064 119.752 119.800 0.025 0.000 2.234 472 Q HA 0.002 4.342 4.340 0.000 0.000 0.206 472 Q C 1.869 177.893 176.000 0.041 0.000 0.980 472 Q CA 1.777 57.599 55.803 0.032 0.000 0.869 472 Q CB -0.661 28.101 28.738 0.039 0.000 0.912 472 Q HN 0.755 nan 8.270 nan 0.000 0.436 473 G N 0.097 108.933 108.800 0.060 0.000 2.514 473 G HA2 -0.325 3.635 3.960 0.000 0.000 0.217 473 G HA3 -0.325 3.635 3.960 0.000 0.000 0.217 473 G C 1.330 176.316 174.900 0.144 0.000 1.198 473 G CA 0.915 46.071 45.100 0.093 0.000 0.780 473 G HN 0.369 nan 8.290 nan 0.000 0.565 474 Y N 1.381 121.685 120.300 0.007 0.000 2.181 474 Y HA -0.036 4.514 4.550 0.000 0.000 0.288 474 Y C 2.782 178.641 175.900 -0.068 0.000 1.146 474 Y CA 1.240 59.309 58.100 -0.052 0.000 1.164 474 Y CB -0.233 38.132 38.460 -0.158 0.000 0.982 474 Y HN 0.102 nan 8.280 nan 0.000 0.515 475 L N -0.542 120.675 121.223 -0.010 0.000 1.989 475 L HA -0.260 4.080 4.340 0.000 0.000 0.211 475 L C 1.994 178.828 176.870 -0.061 0.000 1.071 475 L CA 1.834 56.637 54.840 -0.062 0.000 0.749 475 L CB -0.855 41.188 42.059 -0.026 0.000 0.890 475 L HN 0.154 nan 8.230 nan 0.000 0.431 476 D N -0.056 120.339 120.400 -0.009 0.000 2.144 476 D HA -0.198 4.442 4.640 0.000 0.000 0.199 476 D C 1.914 178.234 176.300 0.034 0.000 0.984 476 D CA 0.914 54.916 54.000 0.004 0.000 0.834 476 D CB -0.351 40.455 40.800 0.011 0.000 0.955 476 D HN 0.175 nan 8.370 nan 0.000 0.465 477 F N 1.681 121.527 119.950 -0.173 0.000 2.161 477 F HA -0.036 4.491 4.527 0.000 0.000 0.300 477 F C 0.863 176.514 175.800 -0.248 0.000 1.089 477 F CA 0.547 58.413 58.000 -0.225 0.000 1.282 477 F CB -0.514 38.306 39.000 -0.300 0.000 1.010 477 F HN -0.163 nan 8.300 nan 0.000 0.485 478 L N 0.000 121.182 121.223 -0.068 0.000 2.949 478 L HA 0.000 4.340 4.340 0.000 0.000 0.249 478 L CA 0.000 54.753 54.840 -0.145 0.000 0.813 478 L CB 0.000 41.900 42.059 -0.265 0.000 0.961 478 L HN 0.000 nan 8.230 nan 0.000 0.502