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 3nne_1_A DATA FIRST_RESID 1 DATA SEQUENCE MHIDNIENLS DREFDYIVVG GGSAGAAVAA RLSEDPAVSV ALVEAGPDDR DATA SEQUENCE GVPEVLQLDR WMELLESGYD WDYPIEPQEN GNSFMRHARA KVMGGCSSHN DATA SEQUENCE ACIAFWAPRE DLDEWEAKYG ATGWNAEAAW PLYKRLETNE DAGPDAPHHG DATA SEQUENCE DSGPVHLMNV PPKDPTGVAL LDACEQAGIP RAKFNTGTTV VNGANFFQIN DATA SEQUENCE RRADGTRSSS SVSYIHPIVE QENFTLLTGL RARQLVFDAD RRCTGVDIVD DATA SEQUENCE SAFGHTHRLT ARNEVVLSTG AIDTPKLLML SGIGPAAHLA EHGIEVLVDS DATA SEQUENCE PGVGEHLQDH PEGVVQFEAK QPMVAESTQW WEIGIFTPTE DGLDRPDLMM DATA SEQUENCE HYGSVPFDMN TLRHGYPTTE NGFSLTPNVT HARSRGTVRL RSRDFRDKPM DATA SEQUENCE VDPRYFTDPE GHDMRVMVAG IRKAREIAAQ PAMAEWTGRE LSPGVEAQTD DATA SEQUENCE EELQDYIRKT HNTVYHPVGT VRMGAVEDEM SPLDPELRVK GVTGLRVADA DATA SEQUENCE SVMPEHVTVN PNITVMMIGE RCADLIRSAR 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.351 176.300 0.084 0.000 1.140 1 M CA 0.000 55.354 55.300 0.090 0.000 0.988 1 M CB 0.000 32.634 32.600 0.057 0.000 1.302 2 H N 3.214 122.280 119.070 -0.007 0.000 2.517 2 H HA 0.692 5.248 4.556 -0.000 0.000 0.317 2 H C -1.629 173.682 175.328 -0.029 0.000 1.080 2 H CA -0.746 55.286 56.048 -0.026 0.000 1.301 2 H CB 0.888 30.650 29.762 0.000 0.000 1.425 2 H HN 0.666 nan 8.280 nan 0.000 0.471 3 I N 5.835 126.303 120.570 -0.170 0.000 2.354 3 I HA 0.079 4.249 4.170 -0.000 0.000 0.286 3 I C 0.293 176.210 176.117 -0.333 0.000 1.007 3 I CA -0.523 60.627 61.300 -0.251 0.000 1.167 3 I CB 1.451 39.390 38.000 -0.102 0.000 1.320 3 I HN 0.766 nan 8.210 nan 0.000 0.458 4 D N 3.794 123.956 120.400 -0.397 0.000 2.349 4 D HA 0.008 4.648 4.640 -0.000 0.000 0.214 4 D C 0.272 176.507 176.300 -0.108 0.000 1.063 4 D CA 0.192 54.049 54.000 -0.238 0.000 0.847 4 D CB 0.303 40.959 40.800 -0.239 0.000 0.933 4 D HN 0.388 nan 8.370 nan 0.000 0.513 5 N N 0.551 119.185 118.700 -0.110 0.000 2.599 5 N HA 0.050 4.790 4.740 -0.000 0.000 0.283 5 N C 0.067 175.515 175.510 -0.103 0.000 1.160 5 N CA -0.631 52.371 53.050 -0.080 0.000 0.869 5 N CB 1.099 39.549 38.487 -0.063 0.000 1.448 5 N HN -0.065 nan 8.380 nan 0.000 0.535 6 I N 2.815 123.303 120.570 -0.138 0.000 2.399 6 I HA -0.141 4.029 4.170 -0.000 0.000 0.254 6 I C 1.436 177.442 176.117 -0.186 0.000 1.146 6 I CA 1.685 62.861 61.300 -0.206 0.000 1.412 6 I CB 0.114 37.862 38.000 -0.419 0.000 1.076 6 I HN 0.579 nan 8.210 nan 0.000 0.432 7 E N 1.004 121.111 120.200 -0.154 0.000 2.171 7 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 7 E C 1.791 178.346 176.600 -0.074 0.000 0.997 7 E CA 1.215 57.553 56.400 -0.103 0.000 0.810 7 E CB -0.503 29.155 29.700 -0.070 0.000 0.738 7 E HN 0.599 nan 8.360 nan 0.000 0.467 8 N N -0.282 118.375 118.700 -0.071 0.000 2.459 8 N HA -0.062 4.678 4.740 -0.000 0.000 0.181 8 N C 0.052 175.535 175.510 -0.044 0.000 1.046 8 N CA 0.185 53.202 53.050 -0.054 0.000 0.904 8 N CB -0.010 38.441 38.487 -0.059 0.000 0.964 8 N HN 0.126 nan 8.380 nan 0.000 0.444 9 L N 0.549 121.744 121.223 -0.046 0.000 2.278 9 L HA 0.149 4.489 4.340 -0.000 0.000 0.287 9 L C 1.131 177.981 176.870 -0.033 0.000 1.072 9 L CA 0.194 55.022 54.840 -0.021 0.000 0.819 9 L CB 0.982 43.044 42.059 0.006 0.000 1.176 9 L HN -0.117 nan 8.230 nan 0.000 0.435 10 S N 1.494 117.170 115.700 -0.039 0.000 2.468 10 S HA 0.065 4.535 4.470 -0.000 0.000 0.226 10 S C 0.090 174.646 174.600 -0.073 0.000 1.051 10 S CA 0.062 58.232 58.200 -0.050 0.000 0.943 10 S CB 0.102 63.275 63.200 -0.046 0.000 0.810 10 S HN 0.711 nan 8.310 nan 0.000 0.509 11 D N 0.778 121.113 120.400 -0.109 0.000 2.280 11 D HA 0.340 4.980 4.640 -0.000 0.000 0.243 11 D C 0.308 176.451 176.300 -0.262 0.000 1.129 11 D CA -0.044 53.833 54.000 -0.204 0.000 0.848 11 D CB 0.825 41.459 40.800 -0.276 0.000 1.107 11 D HN -0.109 nan 8.370 nan 0.000 0.471 12 R N 1.692 122.071 120.500 -0.202 0.000 2.509 12 R HA 0.214 4.554 4.340 -0.000 0.000 0.300 12 R C -0.015 176.206 176.300 -0.132 0.000 0.985 12 R CA -0.201 55.870 56.100 -0.049 0.000 1.092 12 R CB 0.459 30.787 30.300 0.047 0.000 1.237 12 R HN 0.394 nan 8.270 nan 0.000 0.546 13 E N 0.198 120.146 120.200 -0.420 0.000 2.216 13 E HA 0.391 4.741 4.350 -0.000 0.000 0.279 13 E C -1.052 175.129 176.600 -0.697 0.000 0.997 13 E CA -0.351 55.851 56.400 -0.329 0.000 0.817 13 E CB 0.663 30.228 29.700 -0.225 0.000 1.096 13 E HN -0.119 nan 8.360 nan 0.000 0.393 14 F N 1.149 121.066 119.950 -0.056 0.000 2.643 14 F HA 0.217 4.744 4.527 -0.000 0.000 0.314 14 F C 0.872 176.610 175.800 -0.104 0.000 1.096 14 F CA -0.831 57.135 58.000 -0.055 0.000 0.953 14 F CB 1.453 40.436 39.000 -0.029 0.000 1.345 14 F HN 0.401 nan 8.300 nan 0.000 0.468 15 D N -0.016 120.420 120.400 0.059 0.000 2.103 15 D HA -0.093 4.547 4.640 -0.000 0.000 0.199 15 D C -0.457 175.587 176.300 -0.426 0.000 0.978 15 D CA 1.966 55.824 54.000 -0.237 0.000 0.829 15 D CB 0.085 40.724 40.800 -0.268 0.000 0.981 15 D HN 0.328 nan 8.370 nan 0.000 0.464 16 Y N -0.458 119.911 120.300 0.115 0.000 2.442 16 Y HA 0.454 5.004 4.550 -0.000 0.000 0.344 16 Y C -0.081 175.828 175.900 0.015 0.000 0.976 16 Y CA -0.872 57.263 58.100 0.058 0.000 1.040 16 Y CB 2.073 40.559 38.460 0.044 0.000 1.228 16 Y HN -0.312 nan 8.280 nan 0.000 0.451 17 I N 3.814 124.462 120.570 0.130 0.000 2.404 17 I HA 0.503 4.673 4.170 -0.000 0.000 0.293 17 I C -0.993 175.127 176.117 0.006 0.000 0.992 17 I CA -1.147 60.150 61.300 -0.005 0.000 1.149 17 I CB 1.692 39.665 38.000 -0.045 0.000 1.315 17 I HN 0.235 nan 8.210 nan 0.000 0.446 18 V N 6.810 126.708 119.914 -0.027 0.000 2.378 18 V HA 0.271 4.391 4.120 -0.000 0.000 0.288 18 V C -0.017 176.062 176.094 -0.026 0.000 1.016 18 V CA -0.687 61.605 62.300 -0.014 0.000 0.840 18 V CB 1.909 33.732 31.823 0.000 0.000 0.994 18 V HN 0.427 nan 8.190 nan 0.000 0.431 19 V N 4.097 123.999 119.914 -0.020 0.000 2.368 19 V HA 0.811 4.931 4.120 -0.000 0.000 0.266 19 V C 0.727 176.823 176.094 0.003 0.000 1.045 19 V CA 0.280 62.572 62.300 -0.013 0.000 0.899 19 V CB 0.528 32.339 31.823 -0.020 0.000 1.006 19 V HN 1.257 nan 8.190 nan 0.000 0.470 20 G N 3.505 112.320 108.800 0.026 0.000 3.445 20 G HA2 0.132 4.092 3.960 -0.000 0.000 0.686 20 G HA3 0.132 4.092 3.960 -0.000 0.000 0.686 20 G C 0.044 174.969 174.900 0.042 0.000 1.113 20 G CA -0.552 44.578 45.100 0.050 0.000 0.974 20 G HN 1.291 nan 8.290 nan 0.000 0.492 21 G N 1.100 109.937 108.800 0.062 0.000 4.126 21 G HA2 0.680 4.640 3.960 -0.000 0.000 0.282 21 G HA3 0.680 4.640 3.960 -0.000 0.000 0.282 21 G C 0.869 175.802 174.900 0.054 0.000 1.221 21 G CA 0.797 45.931 45.100 0.056 0.000 1.527 21 G HN 1.223 nan 8.290 nan 0.000 0.612 22 G N 0.493 109.316 108.800 0.039 0.000 3.022 22 G HA2 0.345 4.305 3.960 -0.000 0.000 0.157 22 G HA3 0.345 4.305 3.960 -0.000 0.000 0.157 22 G C 1.337 176.245 174.900 0.015 0.000 1.468 22 G CA 0.498 45.620 45.100 0.036 0.000 1.058 22 G HN 0.271 nan 8.290 nan 0.000 0.581 23 S N 0.293 116.003 115.700 0.016 0.000 2.343 23 S HA -0.077 4.393 4.470 -0.000 0.000 0.219 23 S C 2.684 177.264 174.600 -0.033 0.000 1.033 23 S CA 1.616 59.825 58.200 0.015 0.000 1.014 23 S CB -0.584 62.636 63.200 0.033 0.000 0.915 23 S HN 0.728 nan 8.310 nan 0.000 0.435 24 A N 1.311 124.108 122.820 -0.039 0.000 1.929 24 A HA 0.214 4.534 4.320 -0.000 0.000 0.216 24 A C 2.284 179.798 177.584 -0.117 0.000 1.176 24 A CA 1.509 53.500 52.037 -0.076 0.000 0.628 24 A CB -1.315 17.661 19.000 -0.040 0.000 0.816 24 A HN 0.507 nan 8.150 nan 0.000 0.444 25 G N -0.186 108.570 108.800 -0.074 0.000 2.433 25 G HA2 0.004 3.964 3.960 -0.000 0.000 0.216 25 G HA3 0.004 3.964 3.960 -0.000 0.000 0.216 25 G C 1.805 176.653 174.900 -0.087 0.000 1.186 25 G CA 1.530 46.594 45.100 -0.061 0.000 0.779 25 G HN 0.765 nan 8.290 nan 0.000 0.543 26 A N 1.373 124.142 122.820 -0.084 0.000 1.884 26 A HA 0.060 4.380 4.320 -0.000 0.000 0.219 26 A C 2.858 180.256 177.584 -0.309 0.000 1.197 26 A CA 2.903 54.883 52.037 -0.094 0.000 0.637 26 A CB -1.064 17.922 19.000 -0.024 0.000 0.827 26 A HN 0.967 nan 8.150 nan 0.000 0.450 27 A N -0.845 121.607 122.820 -0.612 0.000 1.883 27 A HA -0.039 4.281 4.320 -0.000 0.000 0.217 27 A C 2.257 179.535 177.584 -0.509 0.000 1.186 27 A CA 2.044 53.410 52.037 -1.118 0.000 0.624 27 A CB -1.016 17.373 19.000 -1.019 0.000 0.822 27 A HN 0.505 nan 8.150 nan 0.000 0.444 28 V N -0.282 119.459 119.914 -0.289 0.000 2.427 28 V HA -0.184 3.936 4.120 -0.000 0.000 0.248 28 V C 3.011 179.028 176.094 -0.128 0.000 1.051 28 V CA 1.760 63.956 62.300 -0.174 0.000 1.048 28 V CB -1.297 30.453 31.823 -0.120 0.000 0.666 28 V HN 0.628 nan 8.190 nan 0.000 0.456 29 A N 0.389 123.156 122.820 -0.088 0.000 1.845 29 A HA -0.140 4.180 4.320 -0.000 0.000 0.215 29 A C 2.494 180.053 177.584 -0.042 0.000 1.195 29 A CA 2.255 54.299 52.037 0.011 0.000 0.616 29 A CB -1.071 18.012 19.000 0.137 0.000 0.832 29 A HN 0.562 nan 8.150 nan 0.000 0.443 30 A N -0.356 122.389 122.820 -0.124 0.000 1.884 30 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 30 A C 2.261 179.797 177.584 -0.080 0.000 1.197 30 A CA 1.984 53.936 52.037 -0.142 0.000 0.637 30 A CB -0.553 18.456 19.000 0.016 0.000 0.827 30 A HN 0.457 nan 8.150 nan 0.000 0.450 31 R N -0.647 119.809 120.500 -0.072 0.000 2.066 31 R HA 0.014 4.354 4.340 -0.000 0.000 0.232 31 R C 2.190 178.460 176.300 -0.051 0.000 1.131 31 R CA 1.216 57.287 56.100 -0.047 0.000 0.955 31 R CB -1.087 29.177 30.300 -0.059 0.000 0.851 31 R HN 0.600 nan 8.270 nan 0.000 0.432 32 L N 1.442 122.622 121.223 -0.072 0.000 2.127 32 L HA -0.162 4.177 4.340 -0.000 0.000 0.211 32 L C 2.449 179.330 176.870 0.018 0.000 1.089 32 L CA 1.629 56.426 54.840 -0.072 0.000 0.757 32 L CB -0.538 41.435 42.059 -0.144 0.000 0.899 32 L HN 0.274 nan 8.230 nan 0.000 0.434 33 S N -1.103 114.617 115.700 0.034 0.000 2.507 33 S HA -0.154 4.316 4.470 -0.000 0.000 0.235 33 S C 1.532 176.156 174.600 0.039 0.000 0.988 33 S CA 0.730 58.973 58.200 0.072 0.000 0.944 33 S CB -0.256 62.965 63.200 0.035 0.000 0.762 33 S HN 0.477 nan 8.310 nan 0.000 0.526 34 E N 1.007 121.214 120.200 0.012 0.000 2.204 34 E HA -0.063 4.287 4.350 -0.000 0.000 0.194 34 E C 0.067 176.685 176.600 0.030 0.000 0.989 34 E CA 0.695 57.102 56.400 0.011 0.000 0.824 34 E CB -0.063 29.637 29.700 -0.000 0.000 0.756 34 E HN 0.521 nan 8.360 nan 0.000 0.477 35 D N 0.578 121.005 120.400 0.046 0.000 2.365 35 D HA 0.015 4.655 4.640 -0.000 0.000 0.237 35 D C -1.727 174.617 176.300 0.074 0.000 1.190 35 D CA -2.366 51.668 54.000 0.057 0.000 0.867 35 D CB 1.164 42.004 40.800 0.066 0.000 1.050 35 D HN -0.079 nan 8.370 nan 0.000 0.491 36 P HA 0.006 nan 4.420 nan 0.000 0.233 36 P C 0.949 178.291 177.300 0.070 0.000 1.167 36 P CA 0.274 63.415 63.100 0.069 0.000 0.770 36 P CB 0.314 32.047 31.700 0.054 0.000 0.837 37 A N 0.410 123.267 122.820 0.063 0.000 1.858 37 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 37 A C 1.341 178.967 177.584 0.071 0.000 1.190 37 A CA 1.048 53.118 52.037 0.056 0.000 0.617 37 A CB -1.358 17.672 19.000 0.049 0.000 0.827 37 A HN 0.108 nan 8.150 nan 0.000 0.443 38 V N 1.788 121.761 119.914 0.100 0.000 2.572 38 V HA 0.274 4.394 4.120 -0.000 0.000 0.291 38 V C 0.690 176.883 176.094 0.164 0.000 1.039 38 V CA 0.302 62.683 62.300 0.136 0.000 1.055 38 V CB 0.985 32.942 31.823 0.223 0.000 0.969 38 V HN 0.622 nan 8.190 nan 0.000 0.482 39 S N 5.241 121.037 115.700 0.160 0.000 2.578 39 S HA 0.778 5.248 4.470 -0.000 0.000 0.283 39 S C -0.814 173.962 174.600 0.293 0.000 1.195 39 S CA -0.720 57.612 58.200 0.220 0.000 1.050 39 S CB 1.820 65.140 63.200 0.200 0.000 1.012 39 S HN 0.431 nan 8.310 nan 0.000 0.511 40 V N 1.472 121.563 119.914 0.295 0.000 2.686 40 V HA 0.778 4.898 4.120 -0.000 0.000 0.306 40 V C -0.067 176.001 176.094 -0.042 0.000 1.065 40 V CA -0.661 61.772 62.300 0.221 0.000 0.894 40 V CB 1.555 33.557 31.823 0.299 0.000 1.004 40 V HN 1.242 nan 8.190 nan 0.000 0.424 41 A N 4.595 127.221 122.820 -0.323 0.000 2.330 41 A HA 0.930 5.250 4.320 -0.000 0.000 0.327 41 A C -1.189 176.206 177.584 -0.316 0.000 1.155 41 A CA -0.524 51.121 52.037 -0.654 0.000 0.803 41 A CB 1.354 19.527 19.000 -1.378 0.000 1.208 41 A HN 0.957 nan 8.150 nan 0.000 0.477 42 L N 3.514 124.565 121.223 -0.286 0.000 2.372 42 L HA 0.639 4.979 4.340 -0.000 0.000 0.273 42 L C -1.177 175.627 176.870 -0.111 0.000 0.989 42 L CA -0.258 54.518 54.840 -0.107 0.000 0.841 42 L CB 1.680 43.773 42.059 0.056 0.000 1.225 42 L HN 0.403 nan 8.230 nan 0.000 0.414 43 V N 3.696 123.565 119.914 -0.076 0.000 2.398 43 V HA 0.737 4.857 4.120 -0.000 0.000 0.286 43 V C -0.240 175.866 176.094 0.019 0.000 1.026 43 V CA -0.536 61.738 62.300 -0.043 0.000 0.868 43 V CB 1.226 33.018 31.823 -0.052 0.000 0.982 43 V HN 0.825 nan 8.190 nan 0.000 0.443 44 E N 3.811 124.040 120.200 0.049 0.000 2.317 44 E HA 0.770 5.120 4.350 -0.000 0.000 0.270 44 E C 0.387 177.058 176.600 0.118 0.000 0.885 44 E CA -0.042 56.416 56.400 0.096 0.000 0.760 44 E CB 2.183 31.941 29.700 0.096 0.000 1.227 44 E HN 0.564 nan 8.360 nan 0.000 0.434 45 A N 3.136 126.066 122.820 0.183 0.000 1.935 45 A HA 0.304 4.624 4.320 -0.000 0.000 0.214 45 A C 1.242 178.862 177.584 0.061 0.000 1.178 45 A CA 0.942 53.084 52.037 0.176 0.000 0.640 45 A CB -0.784 18.436 19.000 0.367 0.000 0.825 45 A HN 0.581 nan 8.150 nan 0.000 0.447 46 G N -0.070 108.761 108.800 0.053 0.000 2.653 46 G HA2 0.452 4.412 3.960 -0.000 0.000 0.265 46 G HA3 0.452 4.412 3.960 -0.000 0.000 0.265 46 G C -2.618 172.317 174.900 0.058 0.000 1.237 46 G CA -0.989 44.110 45.100 -0.001 0.000 0.946 46 G HN 0.243 nan 8.290 nan 0.000 0.522 47 P HA 0.167 nan 4.420 nan 0.000 0.279 47 P C -0.327 177.040 177.300 0.111 0.000 1.252 47 P CA -0.674 62.493 63.100 0.111 0.000 0.811 47 P CB 0.951 32.730 31.700 0.132 0.000 1.035 48 D N 1.181 121.636 120.400 0.092 0.000 2.908 48 D HA -0.157 4.483 4.640 -0.000 0.000 0.215 48 D C 0.938 177.267 176.300 0.048 0.000 1.095 48 D CA 0.873 54.888 54.000 0.023 0.000 0.812 48 D CB 0.365 41.161 40.800 -0.006 0.000 1.180 48 D HN 0.405 nan 8.370 nan 0.000 0.512 49 D N 2.552 122.979 120.400 0.044 0.000 2.366 49 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 49 D C 0.229 176.560 176.300 0.050 0.000 1.022 49 D CA -0.098 53.934 54.000 0.054 0.000 0.868 49 D CB -0.059 40.794 40.800 0.089 0.000 0.953 49 D HN 0.302 nan 8.370 nan 0.000 0.514 50 R N 0.628 121.115 120.500 -0.022 0.000 2.538 50 R HA 0.346 4.685 4.340 -0.000 0.000 0.282 50 R C 1.350 177.644 176.300 -0.010 0.000 1.009 50 R CA 0.817 56.875 56.100 -0.071 0.000 1.063 50 R CB -0.036 30.112 30.300 -0.253 0.000 0.945 50 R HN 0.228 nan 8.270 nan 0.000 0.414 51 G N 1.415 110.224 108.800 0.015 0.000 2.189 51 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.267 51 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.267 51 G C 0.200 175.123 174.900 0.038 0.000 0.975 51 G CA 0.295 45.411 45.100 0.027 0.000 0.644 51 G HN 0.442 nan 8.290 nan 0.000 0.537 52 V N 1.349 121.282 119.914 0.031 0.000 2.408 52 V HA 0.397 4.517 4.120 -0.000 0.000 0.267 52 V C -0.484 175.611 176.094 0.001 0.000 1.047 52 V CA -0.579 61.732 62.300 0.018 0.000 0.937 52 V CB 1.484 33.284 31.823 -0.039 0.000 0.999 52 V HN 0.180 nan 8.190 nan 0.000 0.472 53 P HA 0.136 nan 4.420 nan 0.000 0.252 53 P C 0.837 178.148 177.300 0.019 0.000 1.211 53 P CA 0.162 63.277 63.100 0.024 0.000 0.824 53 P CB 0.668 32.393 31.700 0.041 0.000 1.077 54 E N -0.070 120.130 120.200 -0.000 0.000 2.268 54 E HA -0.070 4.279 4.350 -0.000 0.000 0.195 54 E C 1.880 178.464 176.600 -0.027 0.000 0.995 54 E CA 0.742 57.146 56.400 0.007 0.000 0.836 54 E CB -1.044 28.675 29.700 0.031 0.000 0.763 54 E HN 0.095 nan 8.360 nan 0.000 0.491 55 V N 0.114 119.961 119.914 -0.113 0.000 2.436 55 V HA -0.071 4.049 4.120 -0.000 0.000 0.240 55 V C 2.075 178.169 176.094 0.001 0.000 1.040 55 V CA 0.791 63.031 62.300 -0.101 0.000 1.052 55 V CB -0.338 31.341 31.823 -0.240 0.000 0.707 55 V HN 0.199 nan 8.190 nan 0.000 0.469 56 L N -0.290 120.937 121.223 0.007 0.000 2.042 56 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 56 L C 1.593 178.498 176.870 0.058 0.000 1.076 56 L CA 1.314 56.178 54.840 0.041 0.000 0.749 56 L CB -0.208 41.883 42.059 0.053 0.000 0.893 56 L HN 0.366 nan 8.230 nan 0.000 0.432 57 Q N 0.683 120.525 119.800 0.071 0.000 2.314 57 Q HA 0.043 4.383 4.340 -0.000 0.000 0.257 57 Q C 0.775 176.859 176.000 0.141 0.000 0.975 57 Q CA -0.323 55.536 55.803 0.094 0.000 0.933 57 Q CB 1.569 30.362 28.738 0.091 0.000 1.195 57 Q HN 0.127 nan 8.270 nan 0.000 0.426 58 L N 5.072 126.384 121.223 0.148 0.000 2.083 58 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 58 L C 1.534 178.618 176.870 0.357 0.000 1.083 58 L CA 2.309 57.274 54.840 0.208 0.000 0.752 58 L CB -0.297 41.841 42.059 0.132 0.000 0.899 58 L HN 0.811 nan 8.230 nan 0.000 0.433 59 D N -1.492 119.095 120.400 0.311 0.000 2.378 59 D HA -0.161 4.479 4.640 -0.000 0.000 0.227 59 D C 1.646 178.250 176.300 0.505 0.000 1.012 59 D CA 0.587 54.864 54.000 0.462 0.000 0.905 59 D CB -0.358 40.633 40.800 0.319 0.000 0.895 59 D HN 0.378 nan 8.370 nan 0.000 0.532 60 R N 0.200 120.893 120.500 0.322 0.000 2.300 60 R HA 0.054 4.394 4.340 -0.000 0.000 0.199 60 R C 1.819 178.192 176.300 0.121 0.000 0.920 60 R CA 0.134 56.341 56.100 0.178 0.000 1.046 60 R CB -0.384 29.997 30.300 0.134 0.000 0.984 60 R HN 0.474 nan 8.270 nan 0.000 0.493 61 W N 0.845 122.229 121.300 0.140 0.000 2.305 61 W HA -0.216 4.444 4.660 -0.000 0.000 0.308 61 W C 1.117 177.659 176.519 0.039 0.000 1.226 61 W CA 0.794 58.189 57.345 0.083 0.000 1.253 61 W CB -0.878 28.633 29.460 0.084 0.000 1.146 61 W HN -0.034 nan 8.180 nan 0.000 0.507 62 M N 1.145 120.181 119.600 -0.940 0.000 2.460 62 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 62 M C 1.802 177.863 176.300 -0.398 0.000 1.071 62 M CA 1.637 56.317 55.300 -1.033 0.000 1.096 62 M CB -0.345 31.615 32.600 -1.067 0.000 1.408 62 M HN 0.063 nan 8.290 nan 0.000 0.463 63 E N 0.275 120.340 120.200 -0.225 0.000 2.299 63 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 63 E C 1.831 178.425 176.600 -0.009 0.000 0.998 63 E CA 0.674 57.016 56.400 -0.097 0.000 0.851 63 E CB -0.003 29.665 29.700 -0.053 0.000 0.795 63 E HN 0.510 nan 8.360 nan 0.000 0.492 64 L N 0.907 122.150 121.223 0.033 0.000 2.156 64 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 64 L C 0.934 177.874 176.870 0.116 0.000 1.095 64 L CA 0.269 55.189 54.840 0.134 0.000 0.770 64 L CB -0.426 41.752 42.059 0.198 0.000 0.914 64 L HN 0.092 nan 8.230 nan 0.000 0.439 65 L N 1.285 122.525 121.223 0.028 0.000 2.640 65 L HA -0.133 4.206 4.340 -0.000 0.000 0.280 65 L C 0.802 177.698 176.870 0.045 0.000 1.229 65 L CA 0.329 55.183 54.840 0.024 0.000 0.919 65 L CB -0.203 41.830 42.059 -0.043 0.000 1.168 65 L HN 0.322 nan 8.230 nan 0.000 0.496 66 E N -0.126 120.116 120.200 0.070 0.000 3.286 66 E HA -0.227 4.122 4.350 -0.000 0.000 0.292 66 E C 0.245 176.862 176.600 0.028 0.000 0.928 66 E CA 0.866 57.295 56.400 0.048 0.000 0.982 66 E CB -0.810 28.912 29.700 0.036 0.000 1.500 66 E HN 0.846 nan 8.360 nan 0.000 0.441 67 S N -1.871 113.857 115.700 0.046 0.000 2.690 67 S HA 0.573 5.043 4.470 -0.000 0.000 0.285 67 S C 1.475 176.046 174.600 -0.049 0.000 1.135 67 S CA -0.365 57.848 58.200 0.023 0.000 1.020 67 S CB 1.425 64.684 63.200 0.099 0.000 1.159 67 S HN 0.231 nan 8.310 nan 0.000 0.534 68 G N -1.131 107.563 108.800 -0.175 0.000 2.776 68 G HA2 0.030 3.990 3.960 -0.000 0.000 0.209 68 G HA3 0.030 3.990 3.960 -0.000 0.000 0.209 68 G C 0.446 175.073 174.900 -0.454 0.000 1.145 68 G CA 0.188 45.085 45.100 -0.339 0.000 0.791 68 G HN 0.737 nan 8.290 nan 0.000 0.530 69 Y N -0.542 119.721 120.300 -0.062 0.000 2.457 69 Y HA 0.215 4.765 4.550 -0.000 0.000 0.263 69 Y C 0.578 176.431 175.900 -0.078 0.000 1.164 69 Y CA -0.579 57.480 58.100 -0.069 0.000 1.274 69 Y CB 0.728 39.194 38.460 0.009 0.000 1.097 69 Y HN 0.054 nan 8.280 nan 0.000 0.523 70 D N -1.160 119.267 120.400 0.045 0.000 2.256 70 D HA 0.050 4.689 4.640 -0.000 0.000 0.240 70 D C 0.071 176.338 176.300 -0.054 0.000 1.062 70 D CA -0.729 53.312 54.000 0.069 0.000 0.832 70 D CB 0.817 41.695 40.800 0.130 0.000 1.135 70 D HN 0.082 nan 8.370 nan 0.000 0.484 71 W N 1.873 123.094 121.300 -0.131 0.000 2.374 71 W HA -0.027 4.633 4.660 -0.000 0.000 0.288 71 W C 0.551 176.792 176.519 -0.464 0.000 1.218 71 W CA 0.690 57.830 57.345 -0.342 0.000 1.245 71 W CB -0.204 28.909 29.460 -0.579 0.000 1.126 71 W HN 0.507 nan 8.180 nan 0.000 0.545 72 D N -1.222 119.100 120.400 -0.130 0.000 3.729 72 D HA -0.223 4.417 4.640 -0.000 0.000 0.242 72 D C -1.627 174.620 176.300 -0.089 0.000 1.091 72 D CA 0.441 54.415 54.000 -0.044 0.000 1.096 72 D CB -1.465 39.342 40.800 0.012 0.000 0.901 72 D HN 0.098 nan 8.370 nan 0.000 0.416 73 Y N 3.032 123.470 120.300 0.229 0.000 2.417 73 Y HA 0.422 4.972 4.550 -0.000 0.000 0.336 73 Y C -1.644 174.366 175.900 0.183 0.000 0.961 73 Y CA -2.273 55.933 58.100 0.177 0.000 1.215 73 Y CB 1.269 39.821 38.460 0.152 0.000 1.120 73 Y HN 0.087 nan 8.280 nan 0.000 0.499 74 P HA 0.209 nan 4.420 nan 0.000 0.274 74 P C -0.074 177.334 177.300 0.181 0.000 1.237 74 P CA -0.208 63.009 63.100 0.195 0.000 0.793 74 P CB 1.633 33.408 31.700 0.125 0.000 0.977 75 I N -2.070 118.590 120.570 0.151 0.000 2.783 75 I HA 0.443 4.613 4.170 -0.000 0.000 0.312 75 I C 0.337 176.493 176.117 0.066 0.000 0.988 75 I CA -1.151 60.226 61.300 0.128 0.000 1.182 75 I CB 0.716 38.826 38.000 0.182 0.000 1.368 75 I HN 0.083 nan 8.210 nan 0.000 0.511 76 E N 2.822 123.047 120.200 0.042 0.000 2.436 76 E HA 0.182 4.532 4.350 -0.000 0.000 0.262 76 E C -2.247 174.368 176.600 0.024 0.000 1.063 76 E CA -1.519 54.892 56.400 0.018 0.000 0.944 76 E CB -0.315 29.385 29.700 -0.000 0.000 0.950 76 E HN 0.451 nan 8.360 nan 0.000 0.444 77 P HA -0.082 nan 4.420 nan 0.000 0.264 77 P C -0.473 176.855 177.300 0.046 0.000 1.179 77 P CA 0.601 63.706 63.100 0.008 0.000 0.763 77 P CB 0.444 32.140 31.700 -0.006 0.000 0.806 78 Q N 2.071 121.920 119.800 0.081 0.000 2.333 78 Q HA 0.114 4.453 4.340 -0.000 0.000 0.265 78 Q C 1.054 177.123 176.000 0.114 0.000 0.989 78 Q CA -0.438 55.440 55.803 0.125 0.000 0.842 78 Q CB 1.617 30.490 28.738 0.224 0.000 1.262 78 Q HN 0.540 nan 8.270 nan 0.000 0.451 79 E N 2.097 122.354 120.200 0.095 0.000 2.113 79 E HA -0.266 4.084 4.350 -0.000 0.000 0.210 79 E C 0.229 176.902 176.600 0.122 0.000 1.040 79 E CA 1.549 58.004 56.400 0.091 0.000 0.847 79 E CB 0.346 30.093 29.700 0.078 0.000 0.755 79 E HN 0.413 nan 8.360 nan 0.000 0.459 80 N N -0.825 117.981 118.700 0.176 0.000 2.598 80 N HA 0.222 4.962 4.740 -0.000 0.000 0.295 80 N C -1.021 174.689 175.510 0.334 0.000 1.729 80 N CA 0.345 53.521 53.050 0.211 0.000 0.877 80 N CB 1.210 39.823 38.487 0.210 0.000 1.405 80 N HN 0.178 nan 8.380 nan 0.000 0.491 81 G N -0.347 108.649 108.800 0.328 0.000 2.682 81 G HA2 0.177 4.137 3.960 -0.000 0.000 0.303 81 G HA3 0.177 4.137 3.960 -0.000 0.000 0.303 81 G C -1.492 173.589 174.900 0.302 0.000 1.341 81 G CA -0.756 44.635 45.100 0.484 0.000 0.784 81 G HN 0.181 nan 8.290 nan 0.000 0.497 82 N N 0.290 119.103 118.700 0.187 0.000 2.415 82 N HA 0.249 4.989 4.740 -0.000 0.000 0.250 82 N C 1.078 176.630 175.510 0.070 0.000 1.127 82 N CA -0.024 53.007 53.050 -0.033 0.000 0.945 82 N CB 1.023 39.212 38.487 -0.496 0.000 1.196 82 N HN 0.181 nan 8.380 nan 0.000 0.499 83 S N 2.540 118.305 115.700 0.109 0.000 2.595 83 S HA 0.031 4.501 4.470 -0.000 0.000 0.235 83 S C 0.489 175.015 174.600 -0.124 0.000 0.974 83 S CA 0.362 58.555 58.200 -0.012 0.000 0.942 83 S CB -0.326 62.816 63.200 -0.096 0.000 0.766 83 S HN 0.577 nan 8.310 nan 0.000 0.536 84 F N 0.968 120.924 119.950 0.009 0.000 2.660 84 F HA 0.400 4.927 4.527 -0.000 0.000 0.297 84 F C 0.574 176.366 175.800 -0.014 0.000 1.132 84 F CA -0.175 57.825 58.000 -0.000 0.000 1.372 84 F CB -0.104 38.887 39.000 -0.014 0.000 1.003 84 F HN 0.142 nan 8.300 nan 0.000 0.524 85 M N 1.667 121.334 119.600 0.111 0.000 2.233 85 M HA 0.395 4.875 4.480 -0.000 0.000 0.355 85 M C -0.383 175.980 176.300 0.105 0.000 1.191 85 M CA -0.182 55.154 55.300 0.059 0.000 1.101 85 M CB 0.724 33.319 32.600 -0.009 0.000 1.592 85 M HN 0.033 nan 8.290 nan 0.000 0.461 86 R N 2.861 123.432 120.500 0.118 0.000 2.514 86 R HA 0.306 4.646 4.340 -0.000 0.000 0.301 86 R C -1.137 175.303 176.300 0.233 0.000 0.962 86 R CA -0.774 55.442 56.100 0.193 0.000 0.882 86 R CB 0.966 31.385 30.300 0.198 0.000 1.143 86 R HN 0.709 nan 8.270 nan 0.000 0.452 87 H N 1.211 120.470 119.070 0.315 0.000 3.008 87 H HA 0.218 4.774 4.556 -0.000 0.000 0.268 87 H C 0.129 175.723 175.328 0.445 0.000 1.323 87 H CA -0.034 56.253 56.048 0.398 0.000 1.401 87 H CB 0.735 30.696 29.762 0.332 0.000 1.556 87 H HN 0.714 nan 8.280 nan 0.000 0.502 88 A N 4.243 127.413 122.820 0.584 0.000 2.483 88 A HA 0.308 4.628 4.320 -0.000 0.000 0.238 88 A C 0.187 178.092 177.584 0.535 0.000 1.070 88 A CA -0.026 52.272 52.037 0.436 0.000 0.770 88 A CB 0.318 19.469 19.000 0.253 0.000 1.008 88 A HN 0.676 nan 8.150 nan 0.000 0.497 89 R N 0.594 121.359 120.500 0.441 0.000 2.518 89 R HA 0.451 4.791 4.340 -0.000 0.000 0.287 89 R C -0.395 176.069 176.300 0.274 0.000 1.135 89 R CA -0.101 56.217 56.100 0.364 0.000 0.967 89 R CB 1.368 31.925 30.300 0.430 0.000 1.212 89 R HN 0.994 nan 8.270 nan 0.000 0.422 90 A N 2.697 125.403 122.820 -0.190 0.000 2.483 90 A HA 0.240 4.560 4.320 -0.000 0.000 0.238 90 A C 0.001 177.666 177.584 0.136 0.000 1.070 90 A CA 0.224 52.158 52.037 -0.171 0.000 0.770 90 A CB 0.384 19.075 19.000 -0.515 0.000 1.008 90 A HN 0.579 nan 8.150 nan 0.000 0.497 91 K N 1.473 121.884 120.400 0.018 0.000 2.723 91 K HA 0.542 4.862 4.320 -0.000 0.000 0.229 91 K C -1.535 175.065 176.600 0.001 0.000 1.022 91 K CA -0.231 55.971 56.287 -0.142 0.000 1.045 91 K CB 1.134 33.117 32.500 -0.861 0.000 1.227 91 K HN 1.012 nan 8.250 nan 0.000 0.516 92 V N 3.356 123.318 119.914 0.080 0.000 2.801 92 V HA 0.079 4.199 4.120 -0.000 0.000 0.264 92 V C -1.497 174.651 176.094 0.091 0.000 1.843 92 V CA -0.986 61.378 62.300 0.106 0.000 0.878 92 V CB 1.759 33.651 31.823 0.114 0.000 1.380 92 V HN 0.695 nan 8.190 nan 0.000 0.425 93 M N 3.106 122.758 119.600 0.086 0.000 2.250 93 M HA 0.327 4.807 4.480 -0.000 0.000 0.337 93 M C 1.532 177.877 176.300 0.076 0.000 1.161 93 M CA 1.809 57.161 55.300 0.087 0.000 1.088 93 M CB -0.191 32.463 32.600 0.091 0.000 1.639 93 M HN 1.754 nan 8.290 nan 0.000 0.447 94 G N 1.996 110.839 108.800 0.072 0.000 2.199 94 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.254 94 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.254 94 G C 0.782 175.709 174.900 0.046 0.000 0.982 94 G CA 0.491 45.624 45.100 0.055 0.000 0.632 94 G HN 1.445 nan 8.290 nan 0.000 0.529 95 G N -0.851 107.980 108.800 0.052 0.000 2.614 95 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.303 95 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.303 95 G C 1.469 176.350 174.900 -0.032 0.000 1.270 95 G CA 1.677 46.803 45.100 0.043 0.000 0.988 95 G HN 1.384 nan 8.290 nan 0.000 0.551 96 C N 1.322 120.589 119.300 -0.055 0.000 2.432 96 C HA 0.120 4.580 4.460 -0.000 0.000 0.280 96 C C 3.376 178.409 174.990 0.071 0.000 1.353 96 C CA 2.260 61.208 59.018 -0.117 0.000 1.766 96 C CB -1.468 26.276 27.740 0.006 0.000 1.924 96 C HN 1.216 nan 8.230 nan 0.000 0.509 97 S N 0.295 116.028 115.700 0.057 0.000 2.528 97 S HA -0.104 4.366 4.470 -0.000 0.000 0.244 97 S C 1.424 176.060 174.600 0.061 0.000 0.982 97 S CA 1.690 59.925 58.200 0.059 0.000 0.953 97 S CB -0.379 62.850 63.200 0.049 0.000 0.754 97 S HN 0.588 nan 8.310 nan 0.000 0.529 98 S N 0.414 116.154 115.700 0.066 0.000 2.556 98 S HA 0.165 4.635 4.470 -0.000 0.000 0.216 98 S C 1.096 175.793 174.600 0.163 0.000 0.970 98 S CA 0.211 58.454 58.200 0.072 0.000 0.912 98 S CB -0.156 63.066 63.200 0.036 0.000 0.790 98 S HN 1.039 nan 8.310 nan 0.000 0.504 99 H N 0.058 119.166 119.070 0.063 0.000 3.360 99 H HA 0.328 4.884 4.556 -0.000 0.000 0.262 99 H C 0.408 175.799 175.328 0.104 0.000 1.149 99 H CA -0.501 55.619 56.048 0.120 0.000 1.181 99 H CB 0.037 29.880 29.762 0.135 0.000 1.564 99 H HN 0.285 nan 8.280 nan 0.000 0.565 100 N N 1.347 120.177 118.700 0.218 0.000 2.288 100 N HA 0.041 4.781 4.740 -0.000 0.000 0.237 100 N C 0.931 176.106 175.510 -0.558 0.000 1.311 100 N CA 0.364 53.320 53.050 -0.158 0.000 0.909 100 N CB 0.610 39.082 38.487 -0.025 0.000 1.167 100 N HN 0.295 nan 8.380 nan 0.000 0.476 101 A N -1.069 121.212 122.820 -0.898 0.000 2.302 101 A HA 0.203 4.523 4.320 -0.000 0.000 0.219 101 A C 0.892 178.200 177.584 -0.459 0.000 1.243 101 A CA -0.114 51.279 52.037 -1.074 0.000 0.856 101 A CB -1.270 17.070 19.000 -1.101 0.000 0.893 101 A HN 0.833 nan 8.150 nan 0.000 0.491 102 C N -1.586 117.535 119.300 -0.297 0.000 4.252 102 C HA -0.186 4.274 4.460 -0.000 0.000 0.285 102 C C 0.793 175.683 174.990 -0.167 0.000 1.466 102 C CA 0.287 59.208 59.018 -0.162 0.000 1.946 102 C CB -2.906 24.776 27.740 -0.098 0.000 1.366 102 C HN 0.631 nan 8.230 nan 0.000 0.783 103 I N 1.354 121.770 120.570 -0.257 0.000 2.664 103 I HA 0.258 4.428 4.170 -0.000 0.000 0.284 103 I C 0.778 176.748 176.117 -0.244 0.000 1.154 103 I CA 0.992 62.063 61.300 -0.381 0.000 1.402 103 I CB 0.349 37.978 38.000 -0.619 0.000 1.395 103 I HN 0.475 nan 8.210 nan 0.000 0.545 104 A N 8.113 130.791 122.820 -0.237 0.000 2.304 104 A HA 0.776 5.096 4.320 -0.000 0.000 0.314 104 A C -0.961 176.521 177.584 -0.171 0.000 1.187 104 A CA -0.297 51.674 52.037 -0.109 0.000 0.810 104 A CB 0.474 19.450 19.000 -0.039 0.000 1.183 104 A HN 0.596 nan 8.150 nan 0.000 0.487 105 F N 1.199 121.184 119.950 0.058 0.000 2.574 105 F HA 0.471 4.998 4.527 -0.000 0.000 0.313 105 F C -0.806 175.039 175.800 0.075 0.000 1.130 105 F CA -0.556 57.493 58.000 0.081 0.000 0.936 105 F CB 1.670 40.682 39.000 0.019 0.000 1.219 105 F HN 0.658 nan 8.300 nan 0.000 0.445 106 W N 3.101 124.344 121.300 -0.096 0.000 2.216 106 W HA 0.512 5.172 4.660 -0.000 0.000 0.326 106 W C 0.203 176.620 176.519 -0.170 0.000 1.319 106 W CA -0.755 56.246 57.345 -0.572 0.000 1.213 106 W CB 0.163 29.203 29.460 -0.700 0.000 1.171 106 W HN 0.514 nan 8.180 nan 0.000 0.557 107 A N 6.027 128.912 122.820 0.109 0.000 2.425 107 A HA 0.404 4.724 4.320 -0.000 0.000 0.249 107 A C -2.093 175.668 177.584 0.294 0.000 1.084 107 A CA -1.228 50.931 52.037 0.204 0.000 0.781 107 A CB -0.559 18.581 19.000 0.233 0.000 1.019 107 A HN 0.407 nan 8.150 nan 0.000 0.490 108 P HA -0.062 nan 4.420 nan 0.000 0.263 108 P C 0.794 178.222 177.300 0.213 0.000 1.175 108 P CA 0.221 63.428 63.100 0.178 0.000 0.761 108 P CB 0.417 32.148 31.700 0.051 0.000 0.794 109 R N 2.695 123.303 120.500 0.181 0.000 2.152 109 R HA -0.178 4.162 4.340 -0.000 0.000 0.232 109 R C 0.780 177.044 176.300 -0.061 0.000 1.117 109 R CA 1.625 57.692 56.100 -0.054 0.000 0.981 109 R CB -0.640 29.479 30.300 -0.301 0.000 0.870 109 R HN 0.347 nan 8.270 nan 0.000 0.451 110 E N 0.843 121.033 120.200 -0.016 0.000 2.358 110 E HA -0.064 4.286 4.350 -0.000 0.000 0.195 110 E C 1.058 177.673 176.600 0.024 0.000 1.010 110 E CA 0.857 57.251 56.400 -0.010 0.000 0.856 110 E CB 0.063 29.758 29.700 -0.007 0.000 0.795 110 E HN 0.377 nan 8.360 nan 0.000 0.504 111 D N 0.137 120.553 120.400 0.026 0.000 2.120 111 D HA -0.031 4.609 4.640 -0.000 0.000 0.202 111 D C 1.865 178.037 176.300 -0.213 0.000 0.972 111 D CA 0.808 54.829 54.000 0.034 0.000 0.837 111 D CB 0.036 40.873 40.800 0.062 0.000 0.989 111 D HN 0.185 nan 8.370 nan 0.000 0.469 112 L N 0.814 121.847 121.223 -0.317 0.000 2.131 112 L HA -0.086 4.254 4.340 -0.000 0.000 0.206 112 L C 1.867 178.616 176.870 -0.202 0.000 1.087 112 L CA 0.740 55.245 54.840 -0.557 0.000 0.767 112 L CB -0.220 41.654 42.059 -0.308 0.000 0.917 112 L HN -0.150 nan 8.230 nan 0.000 0.441 113 D N 0.370 120.721 120.400 -0.082 0.000 2.178 113 D HA -0.185 4.455 4.640 -0.000 0.000 0.201 113 D C 1.998 178.355 176.300 0.094 0.000 0.980 113 D CA 1.062 55.062 54.000 0.001 0.000 0.842 113 D CB -0.013 40.764 40.800 -0.038 0.000 0.948 113 D HN 0.364 nan 8.370 nan 0.000 0.472 114 E N -0.681 119.597 120.200 0.131 0.000 2.347 114 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 114 E C 1.640 178.525 176.600 0.476 0.000 1.008 114 E CA 0.128 56.668 56.400 0.233 0.000 0.852 114 E CB 0.028 29.890 29.700 0.270 0.000 0.783 114 E HN 0.360 nan 8.360 nan 0.000 0.505 115 W N 1.364 122.811 121.300 0.245 0.000 2.358 115 W HA -0.136 4.524 4.660 -0.000 0.000 0.303 115 W C 2.151 178.793 176.519 0.205 0.000 1.208 115 W CA 0.791 58.288 57.345 0.253 0.000 1.274 115 W CB -0.794 28.786 29.460 0.200 0.000 1.138 115 W HN 0.179 nan 8.180 nan 0.000 0.515 116 E N -0.359 120.080 120.200 0.397 0.000 2.016 116 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 116 E C 2.298 178.986 176.600 0.148 0.000 0.985 116 E CA 1.420 57.970 56.400 0.250 0.000 0.802 116 E CB -0.244 29.572 29.700 0.193 0.000 0.762 116 E HN 0.015 nan 8.360 nan 0.000 0.448 117 A N 0.946 123.830 122.820 0.107 0.000 1.897 117 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 117 A C 2.097 179.662 177.584 -0.032 0.000 1.181 117 A CA 1.420 53.476 52.037 0.032 0.000 0.620 117 A CB -0.242 18.767 19.000 0.015 0.000 0.821 117 A HN 0.116 nan 8.150 nan 0.000 0.443 118 K N -2.400 117.951 120.400 -0.082 0.000 2.284 118 K HA 0.089 4.409 4.320 -0.000 0.000 0.198 118 K C 0.443 176.756 176.600 -0.477 0.000 1.048 118 K CA 0.559 56.636 56.287 -0.350 0.000 0.987 118 K CB 0.159 32.322 32.500 -0.562 0.000 0.800 118 K HN 0.596 nan 8.250 nan 0.000 0.486 119 Y N -1.007 119.327 120.300 0.057 0.000 2.557 119 Y HA 0.225 4.775 4.550 -0.000 0.000 0.247 119 Y C 1.064 176.949 175.900 -0.025 0.000 1.164 119 Y CA 0.076 58.172 58.100 -0.007 0.000 1.218 119 Y CB 1.636 40.067 38.460 -0.048 0.000 1.210 119 Y HN 0.250 nan 8.280 nan 0.000 0.529 120 G N 0.769 109.636 108.800 0.111 0.000 2.205 120 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.261 120 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.261 120 G C 0.598 175.558 174.900 0.099 0.000 0.980 120 G CA 0.036 45.182 45.100 0.077 0.000 0.632 120 G HN 0.550 nan 8.290 nan 0.000 0.533 121 A N 1.613 124.516 122.820 0.139 0.000 3.030 121 A HA 0.549 4.869 4.320 -0.000 0.000 0.273 121 A C 1.076 178.867 177.584 0.345 0.000 1.841 121 A CA 1.141 53.294 52.037 0.192 0.000 1.479 121 A CB -0.653 18.407 19.000 0.099 0.000 1.048 121 A HN 0.925 nan 8.150 nan 0.000 0.612 122 T N 0.926 115.622 114.554 0.237 0.000 2.819 122 T HA 0.302 4.652 4.350 -0.000 0.000 0.282 122 T C 1.618 176.453 174.700 0.225 0.000 1.013 122 T CA 1.535 63.749 62.100 0.190 0.000 1.159 122 T CB 0.246 69.186 68.868 0.120 0.000 1.007 122 T HN 1.780 nan 8.240 nan 0.000 0.514 123 G N 2.595 111.474 108.800 0.131 0.000 2.179 123 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.260 123 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.260 123 G C -0.093 174.754 174.900 -0.088 0.000 0.977 123 G CA -0.335 44.762 45.100 -0.004 0.000 0.641 123 G HN 0.729 nan 8.290 nan 0.000 0.533 124 W N 2.378 123.750 121.300 0.121 0.000 2.317 124 W HA 0.625 5.285 4.660 -0.000 0.000 0.327 124 W C 0.509 177.114 176.519 0.143 0.000 1.036 124 W CA 0.005 57.465 57.345 0.191 0.000 1.419 124 W CB 0.488 30.177 29.460 0.381 0.000 1.253 124 W HN 0.597 nan 8.180 nan 0.000 0.392 125 N N 0.451 119.245 118.700 0.157 0.000 3.449 125 N HA 0.535 5.275 4.740 -0.000 0.000 0.312 125 N C 0.323 175.813 175.510 -0.033 0.000 1.582 125 N CA -0.292 52.783 53.050 0.043 0.000 0.850 125 N CB 0.116 38.614 38.487 0.018 0.000 1.822 125 N HN 0.085 nan 8.380 nan 0.000 0.577 126 A N -0.328 122.421 122.820 -0.118 0.000 1.929 126 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 126 A C 1.484 178.986 177.584 -0.137 0.000 1.176 126 A CA 1.304 53.205 52.037 -0.227 0.000 0.628 126 A CB -0.907 17.719 19.000 -0.623 0.000 0.816 126 A HN 0.716 nan 8.150 nan 0.000 0.444 127 E N 0.057 120.180 120.200 -0.128 0.000 2.153 127 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 127 E C 2.185 178.780 176.600 -0.007 0.000 0.988 127 E CA 0.995 57.359 56.400 -0.060 0.000 0.811 127 E CB -0.261 29.400 29.700 -0.065 0.000 0.746 127 E HN 0.632 nan 8.360 nan 0.000 0.466 128 A N 1.451 124.240 122.820 -0.051 0.000 1.898 128 A HA 0.105 4.425 4.320 -0.000 0.000 0.214 128 A C 2.359 179.887 177.584 -0.093 0.000 1.183 128 A CA 1.249 53.219 52.037 -0.113 0.000 0.622 128 A CB -0.299 18.561 19.000 -0.235 0.000 0.824 128 A HN 0.261 nan 8.150 nan 0.000 0.444 129 A N -1.649 121.161 122.820 -0.016 0.000 1.970 129 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 129 A C 2.089 179.660 177.584 -0.021 0.000 1.170 129 A CA 0.748 52.717 52.037 -0.113 0.000 0.645 129 A CB -0.772 18.203 19.000 -0.043 0.000 0.816 129 A HN 0.759 nan 8.150 nan 0.000 0.447 130 W N 0.421 121.669 121.300 -0.086 0.000 2.335 130 W HA -0.118 4.542 4.660 -0.000 0.000 0.311 130 W C -0.912 175.619 176.519 0.021 0.000 1.213 130 W CA 1.778 59.157 57.345 0.058 0.000 1.274 130 W CB -1.061 28.500 29.460 0.169 0.000 1.148 130 W HN 0.303 nan 8.180 nan 0.000 0.498 131 P HA -0.105 nan 4.420 nan 0.000 0.225 131 P C 1.562 178.858 177.300 -0.008 0.000 1.156 131 P CA 1.369 64.520 63.100 0.084 0.000 0.787 131 P CB -0.265 31.470 31.700 0.058 0.000 0.802 132 L N -2.611 118.554 121.223 -0.097 0.000 2.068 132 L HA -0.097 4.243 4.340 -0.000 0.000 0.204 132 L C 2.412 179.168 176.870 -0.191 0.000 1.076 132 L CA 1.244 55.990 54.840 -0.157 0.000 0.753 132 L CB -1.115 40.803 42.059 -0.234 0.000 0.910 132 L HN -0.055 nan 8.230 nan 0.000 0.439 133 Y N 0.761 120.821 120.300 -0.399 0.000 2.193 133 Y HA -0.374 4.176 4.550 -0.000 0.000 0.285 133 Y C 2.824 178.503 175.900 -0.369 0.000 1.166 133 Y CA 1.494 59.165 58.100 -0.715 0.000 1.181 133 Y CB -0.116 37.231 38.460 -1.856 0.000 0.976 133 Y HN 0.151 nan 8.280 nan 0.000 0.520 134 K N 0.707 121.083 120.400 -0.039 0.000 1.985 134 K HA -0.247 4.073 4.320 -0.000 0.000 0.210 134 K C 2.304 178.953 176.600 0.081 0.000 1.047 134 K CA 1.608 57.968 56.287 0.122 0.000 0.932 134 K CB -0.237 32.339 32.500 0.127 0.000 0.716 134 K HN 0.088 nan 8.250 nan 0.000 0.439 135 R N 0.623 121.144 120.500 0.034 0.000 2.117 135 R HA -0.164 4.176 4.340 -0.000 0.000 0.243 135 R C 2.284 178.595 176.300 0.017 0.000 1.143 135 R CA 1.872 57.985 56.100 0.022 0.000 0.968 135 R CB -0.370 29.934 30.300 0.007 0.000 0.863 135 R HN 0.359 nan 8.270 nan 0.000 0.444 136 L N -0.224 121.013 121.223 0.024 0.000 2.313 136 L HA 0.116 4.456 4.340 -0.000 0.000 0.214 136 L C 0.238 177.098 176.870 -0.015 0.000 1.119 136 L CA 0.689 55.545 54.840 0.026 0.000 0.809 136 L CB -0.384 41.732 42.059 0.095 0.000 0.933 136 L HN 0.084 nan 8.230 nan 0.000 0.449 137 E N -0.364 119.860 120.200 0.040 0.000 2.204 137 E HA 0.443 4.793 4.350 -0.000 0.000 0.276 137 E C -0.895 175.735 176.600 0.051 0.000 0.974 137 E CA -0.748 55.687 56.400 0.058 0.000 0.815 137 E CB 1.016 30.809 29.700 0.155 0.000 1.119 137 E HN 0.038 nan 8.360 nan 0.000 0.393 138 T N 3.075 117.670 114.554 0.068 0.000 2.853 138 T HA 0.194 4.544 4.350 -0.000 0.000 0.317 138 T C -0.555 174.177 174.700 0.054 0.000 1.059 138 T CA -0.723 61.438 62.100 0.102 0.000 0.954 138 T CB 0.039 69.048 68.868 0.235 0.000 0.994 138 T HN 0.399 nan 8.240 nan 0.000 0.479 139 N N 2.308 120.993 118.700 -0.025 0.000 2.421 139 N HA 0.108 4.848 4.740 -0.000 0.000 0.285 139 N C 1.076 176.474 175.510 -0.188 0.000 1.027 139 N CA -0.464 52.495 53.050 -0.151 0.000 0.918 139 N CB 1.696 39.971 38.487 -0.354 0.000 1.152 139 N HN 0.669 nan 8.380 nan 0.000 0.485 140 E N 2.059 122.153 120.200 -0.177 0.000 2.171 140 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 140 E C -0.135 176.364 176.600 -0.168 0.000 0.997 140 E CA 1.475 57.784 56.400 -0.151 0.000 0.810 140 E CB 0.243 29.867 29.700 -0.127 0.000 0.738 140 E HN 0.534 nan 8.360 nan 0.000 0.467 141 D N 0.112 120.350 120.400 -0.270 0.000 2.340 141 D HA 0.114 4.754 4.640 -0.000 0.000 0.220 141 D C -0.181 176.034 176.300 -0.142 0.000 1.039 141 D CA 0.487 54.359 54.000 -0.213 0.000 0.866 141 D CB 0.063 40.716 40.800 -0.245 0.000 0.913 141 D HN 0.250 nan 8.370 nan 0.000 0.523 142 A N 0.238 122.962 122.820 -0.159 0.000 2.531 142 A HA 0.519 4.839 4.320 -0.000 0.000 0.236 142 A C 0.946 178.518 177.584 -0.021 0.000 1.062 142 A CA 0.802 52.811 52.037 -0.046 0.000 0.760 142 A CB 0.315 19.296 19.000 -0.031 0.000 0.995 142 A HN 0.250 nan 8.150 nan 0.000 0.501 143 G N 0.722 109.524 108.800 0.004 0.000 2.322 143 G HA2 0.458 4.418 3.960 -0.000 0.000 0.295 143 G HA3 0.458 4.418 3.960 -0.000 0.000 0.295 143 G C -2.806 172.105 174.900 0.019 0.000 1.369 143 G CA -0.105 44.999 45.100 0.006 0.000 0.821 143 G HN 0.264 nan 8.290 nan 0.000 0.536 144 P HA 0.085 nan 4.420 nan 0.000 0.225 144 P C 0.921 178.241 177.300 0.032 0.000 1.156 144 P CA 1.434 64.549 63.100 0.025 0.000 0.787 144 P CB 0.219 31.929 31.700 0.017 0.000 0.802 145 D N -0.853 119.566 120.400 0.030 0.000 2.325 145 D HA 0.145 4.785 4.640 -0.000 0.000 0.225 145 D C 0.404 176.741 176.300 0.062 0.000 1.096 145 D CA -0.328 53.694 54.000 0.036 0.000 0.844 145 D CB -0.370 40.444 40.800 0.022 0.000 0.925 145 D HN 0.012 nan 8.370 nan 0.000 0.513 146 A N 0.994 123.859 122.820 0.074 0.000 3.448 146 A HA 0.364 4.684 4.320 -0.000 0.000 0.232 146 A C -2.036 175.585 177.584 0.063 0.000 1.018 146 A CA -0.729 51.385 52.037 0.127 0.000 0.996 146 A CB 0.701 19.797 19.000 0.160 0.000 1.283 146 A HN -0.038 nan 8.150 nan 0.000 0.586 147 P HA -0.216 nan 4.420 nan 0.000 0.226 147 P C 1.168 178.511 177.300 0.072 0.000 1.146 147 P CA 1.459 64.601 63.100 0.070 0.000 0.773 147 P CB -0.407 31.345 31.700 0.087 0.000 0.772 148 H N -2.487 116.573 119.070 -0.017 0.000 2.495 148 H HA -0.025 4.530 4.556 -0.000 0.000 0.287 148 H C 0.364 175.683 175.328 -0.014 0.000 1.033 148 H CA 0.591 56.629 56.048 -0.016 0.000 1.307 148 H CB -1.165 28.519 29.762 -0.130 0.000 1.401 148 H HN 0.187 nan 8.280 nan 0.000 0.555 149 H N 1.072 119.796 119.070 -0.577 0.000 2.610 149 H HA 0.345 4.901 4.556 -0.000 0.000 0.336 149 H C 0.581 175.872 175.328 -0.061 0.000 1.087 149 H CA 0.255 56.102 56.048 -0.334 0.000 1.405 149 H CB 1.239 30.734 29.762 -0.444 0.000 1.460 149 H HN 0.437 nan 8.280 nan 0.000 0.538 150 G N 0.902 109.814 108.800 0.187 0.000 2.476 150 G HA2 0.166 4.126 3.960 -0.000 0.000 0.269 150 G HA3 0.166 4.126 3.960 -0.000 0.000 0.269 150 G C 0.184 175.126 174.900 0.071 0.000 1.195 150 G CA -0.552 44.615 45.100 0.112 0.000 0.843 150 G HN 0.681 nan 8.290 nan 0.000 0.545 151 D N -1.513 118.914 120.400 0.044 0.000 2.479 151 D HA 0.096 4.736 4.640 -0.000 0.000 0.216 151 D C 1.282 177.599 176.300 0.028 0.000 1.110 151 D CA 0.080 54.095 54.000 0.024 0.000 0.841 151 D CB 0.876 41.683 40.800 0.013 0.000 1.040 151 D HN 0.223 nan 8.370 nan 0.000 0.505 152 S N -0.407 115.309 115.700 0.027 0.000 2.846 152 S HA 0.447 4.916 4.470 -0.000 0.000 0.249 152 S C 0.650 175.248 174.600 -0.003 0.000 1.028 152 S CA -0.330 57.882 58.200 0.019 0.000 1.043 152 S CB 0.542 63.749 63.200 0.011 0.000 0.990 152 S HN 0.423 nan 8.310 nan 0.000 0.564 153 G N 2.390 111.186 108.800 -0.008 0.000 2.539 153 G HA2 0.353 4.313 3.960 -0.000 0.000 0.258 153 G HA3 0.353 4.313 3.960 -0.000 0.000 0.258 153 G C -1.472 173.329 174.900 -0.165 0.000 1.202 153 G CA -1.100 43.962 45.100 -0.064 0.000 0.851 153 G HN 0.077 nan 8.290 nan 0.000 0.556 154 P HA -0.064 nan 4.420 nan 0.000 0.218 154 P C 0.578 177.557 177.300 -0.535 0.000 1.149 154 P CA 0.578 63.397 63.100 -0.469 0.000 0.817 154 P CB 0.129 31.396 31.700 -0.721 0.000 0.785 155 V N 1.856 121.535 119.914 -0.391 0.000 2.368 155 V HA 0.117 4.237 4.120 -0.000 0.000 0.266 155 V C 0.327 176.334 176.094 -0.146 0.000 1.045 155 V CA -0.552 61.585 62.300 -0.272 0.000 0.899 155 V CB -0.748 31.000 31.823 -0.125 0.000 1.006 155 V HN 0.138 nan 8.190 nan 0.000 0.470 156 H N 5.286 124.306 119.070 -0.082 0.000 2.955 156 H HA 0.351 4.907 4.556 -0.000 0.000 0.290 156 H C -0.294 175.004 175.328 -0.049 0.000 1.047 156 H CA -0.432 55.578 56.048 -0.063 0.000 1.484 156 H CB 0.501 30.226 29.762 -0.063 0.000 1.501 156 H HN 0.463 nan 8.280 nan 0.000 0.521 157 L N 5.765 127.037 121.223 0.081 0.000 2.295 157 L HA 0.417 4.757 4.340 -0.000 0.000 0.285 157 L C 0.086 176.941 176.870 -0.025 0.000 1.035 157 L CA -0.583 54.269 54.840 0.019 0.000 0.806 157 L CB 1.079 43.144 42.059 0.009 0.000 1.214 157 L HN 0.647 nan 8.230 nan 0.000 0.426 158 M N 1.589 121.173 119.600 -0.026 0.000 2.530 158 M HA 0.515 4.995 4.480 -0.000 0.000 0.307 158 M C -0.965 175.316 176.300 -0.033 0.000 1.161 158 M CA -0.737 54.534 55.300 -0.048 0.000 0.903 158 M CB 2.134 34.706 32.600 -0.047 0.000 1.711 158 M HN 0.341 nan 8.290 nan 0.000 0.451 159 N N 1.870 120.542 118.700 -0.047 0.000 2.475 159 N HA 0.192 4.932 4.740 -0.000 0.000 0.267 159 N C -0.688 174.806 175.510 -0.027 0.000 1.169 159 N CA -0.163 52.873 53.050 -0.024 0.000 0.947 159 N CB 1.588 40.045 38.487 -0.050 0.000 1.061 159 N HN 0.515 nan 8.380 nan 0.000 0.466 160 V N 4.831 124.759 119.914 0.023 0.000 2.485 160 V HA 0.056 4.176 4.120 -0.000 0.000 0.287 160 V C -1.782 174.216 176.094 -0.160 0.000 1.022 160 V CA -1.000 61.299 62.300 -0.002 0.000 1.067 160 V CB 0.106 32.018 31.823 0.149 0.000 0.967 160 V HN 0.517 nan 8.190 nan 0.000 0.479 161 P HA 0.198 nan 4.420 nan 0.000 0.271 161 P C -2.459 174.477 177.300 -0.607 0.000 1.226 161 P CA -1.379 61.532 63.100 -0.315 0.000 0.765 161 P CB 0.000 31.575 31.700 -0.208 0.000 0.835 162 P HA 0.091 nan 4.420 nan 0.000 0.244 162 P C 0.284 177.227 177.300 -0.595 0.000 1.769 162 P CA 0.051 62.371 63.100 -1.300 0.000 1.102 162 P CB -0.020 31.212 31.700 -0.779 0.000 1.937 163 K N 0.466 120.596 120.400 -0.449 0.000 2.365 163 K HA 0.073 4.392 4.320 -0.000 0.000 0.195 163 K C 0.356 176.916 176.600 -0.066 0.000 1.079 163 K CA -0.138 56.038 56.287 -0.185 0.000 0.979 163 K CB 0.040 32.453 32.500 -0.145 0.000 0.929 163 K HN -0.041 nan 8.250 nan 0.000 0.523 164 D N 3.140 123.540 120.400 0.001 0.000 2.346 164 D HA 0.062 4.701 4.640 -0.000 0.000 0.260 164 D C -1.493 174.808 176.300 0.002 0.000 1.252 164 D CA -2.367 51.666 54.000 0.055 0.000 0.895 164 D CB 1.537 42.424 40.800 0.146 0.000 1.097 164 D HN 0.043 nan 8.370 nan 0.000 0.489 165 P HA -0.128 nan 4.420 nan 0.000 0.219 165 P C 0.918 178.013 177.300 -0.341 0.000 1.146 165 P CA 1.045 64.132 63.100 -0.023 0.000 0.808 165 P CB 0.188 32.032 31.700 0.240 0.000 0.779 166 T N -1.387 112.685 114.554 -0.804 0.000 2.937 166 T HA 0.042 4.392 4.350 -0.000 0.000 0.260 166 T C 2.151 176.322 174.700 -0.882 0.000 1.051 166 T CA 1.215 62.518 62.100 -1.330 0.000 1.141 166 T CB -1.077 66.977 68.868 -1.357 0.000 0.879 166 T HN 0.121 nan 8.240 nan 0.000 0.459 167 G N 2.008 110.445 108.800 -0.605 0.000 2.545 167 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 167 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 167 G C 1.671 176.272 174.900 -0.497 0.000 1.218 167 G CA 1.109 45.804 45.100 -0.674 0.000 0.787 167 G HN 0.392 nan 8.290 nan 0.000 0.571 168 V N 1.747 121.586 119.914 -0.124 0.000 2.317 168 V HA -0.248 3.872 4.120 -0.000 0.000 0.251 168 V C 3.317 179.303 176.094 -0.180 0.000 1.065 168 V CA 2.339 64.606 62.300 -0.056 0.000 1.049 168 V CB -0.981 30.861 31.823 0.032 0.000 0.651 168 V HN 0.533 nan 8.190 nan 0.000 0.450 169 A N -0.773 121.891 122.820 -0.259 0.000 1.968 169 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 169 A C 2.117 179.523 177.584 -0.296 0.000 1.169 169 A CA 1.686 53.589 52.037 -0.222 0.000 0.638 169 A CB -0.431 18.460 19.000 -0.182 0.000 0.812 169 A HN 0.458 nan 8.150 nan 0.000 0.446 170 L N -0.747 120.190 121.223 -0.476 0.000 2.093 170 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 170 L C 2.079 178.730 176.870 -0.364 0.000 1.085 170 L CA 1.323 55.863 54.840 -0.499 0.000 0.755 170 L CB -0.404 41.178 42.059 -0.794 0.000 0.904 170 L HN 0.233 nan 8.230 nan 0.000 0.435 171 L N -0.459 120.544 121.223 -0.366 0.000 2.017 171 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 171 L C 2.285 179.051 176.870 -0.172 0.000 1.073 171 L CA 1.629 56.312 54.840 -0.262 0.000 0.745 171 L CB -1.570 40.339 42.059 -0.251 0.000 0.894 171 L HN 0.297 nan 8.230 nan 0.000 0.432 172 D N -0.518 119.792 120.400 -0.150 0.000 2.182 172 D HA -0.144 4.496 4.640 -0.000 0.000 0.201 172 D C 2.130 178.374 176.300 -0.094 0.000 0.986 172 D CA 1.389 55.329 54.000 -0.099 0.000 0.847 172 D CB 0.109 40.865 40.800 -0.073 0.000 0.942 172 D HN 0.337 nan 8.370 nan 0.000 0.467 173 A N -0.241 122.505 122.820 -0.124 0.000 2.016 173 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 173 A C 2.464 179.993 177.584 -0.091 0.000 1.162 173 A CA 0.602 52.577 52.037 -0.103 0.000 0.662 173 A CB -0.619 18.303 19.000 -0.130 0.000 0.812 173 A HN 0.305 nan 8.150 nan 0.000 0.450 174 C N -0.283 118.949 119.300 -0.114 0.000 2.453 174 C HA -0.079 4.381 4.460 -0.000 0.000 0.277 174 C C 2.659 177.611 174.990 -0.063 0.000 1.262 174 C CA 1.120 60.084 59.018 -0.091 0.000 1.718 174 C CB -1.053 26.616 27.740 -0.118 0.000 2.031 174 C HN 0.660 nan 8.230 nan 0.000 0.480 175 E N 0.327 120.486 120.200 -0.067 0.000 2.049 175 E HA -0.309 4.041 4.350 -0.000 0.000 0.198 175 E C 2.046 178.625 176.600 -0.035 0.000 1.007 175 E CA 1.374 57.745 56.400 -0.048 0.000 0.809 175 E CB -0.460 29.210 29.700 -0.049 0.000 0.749 175 E HN 0.681 nan 8.360 nan 0.000 0.450 176 Q N -0.261 119.516 119.800 -0.038 0.000 2.308 176 Q HA -0.135 4.205 4.340 -0.000 0.000 0.209 176 Q C 1.686 177.674 176.000 -0.020 0.000 0.985 176 Q CA 1.344 57.131 55.803 -0.027 0.000 0.881 176 Q CB -0.001 28.720 28.738 -0.029 0.000 0.917 176 Q HN 0.242 nan 8.270 nan 0.000 0.443 177 A N -1.408 121.399 122.820 -0.023 0.000 2.303 177 A HA 0.425 4.745 4.320 -0.000 0.000 0.217 177 A C 1.284 178.865 177.584 -0.005 0.000 1.205 177 A CA 0.631 52.661 52.037 -0.012 0.000 0.875 177 A CB 0.437 19.429 19.000 -0.013 0.000 0.910 177 A HN 0.377 nan 8.150 nan 0.000 0.501 178 G N -0.817 107.979 108.800 -0.008 0.000 2.159 178 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.170 178 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.170 178 G C -0.102 174.800 174.900 0.003 0.000 1.007 178 G CA -0.042 45.058 45.100 -0.001 0.000 0.672 178 G HN 0.394 nan 8.290 nan 0.000 0.507 179 I N 1.987 122.554 120.570 -0.005 0.000 2.390 179 I HA 0.319 4.489 4.170 -0.000 0.000 0.283 179 I C -2.322 173.785 176.117 -0.017 0.000 1.016 179 I CA -2.340 58.960 61.300 0.000 0.000 1.151 179 I CB 1.976 39.974 38.000 -0.004 0.000 1.293 179 I HN -0.156 nan 8.210 nan 0.000 0.458 180 P HA 0.204 nan 4.420 nan 0.000 0.274 180 P C -0.538 176.736 177.300 -0.045 0.000 1.237 180 P CA -0.501 62.583 63.100 -0.026 0.000 0.793 180 P CB 0.538 32.228 31.700 -0.016 0.000 0.977 181 R N 0.953 121.412 120.500 -0.070 0.000 2.570 181 R HA 0.476 4.816 4.340 -0.000 0.000 0.277 181 R C 0.048 176.280 176.300 -0.114 0.000 1.039 181 R CA 0.164 56.198 56.100 -0.109 0.000 1.065 181 R CB 0.136 30.373 30.300 -0.105 0.000 0.964 181 R HN 0.509 nan 8.270 nan 0.000 0.428 182 A N 3.031 125.736 122.820 -0.191 0.000 2.413 182 A HA 0.433 4.753 4.320 -0.000 0.000 0.307 182 A C -0.818 176.544 177.584 -0.371 0.000 1.087 182 A CA -0.894 51.026 52.037 -0.193 0.000 0.750 182 A CB 1.317 20.276 19.000 -0.067 0.000 1.296 182 A HN 0.593 nan 8.150 nan 0.000 0.423 183 K N 0.871 121.138 120.400 -0.222 0.000 2.205 183 K HA 0.456 4.775 4.320 -0.000 0.000 0.279 183 K C -1.236 175.294 176.600 -0.117 0.000 1.027 183 K CA 0.215 56.372 56.287 -0.216 0.000 0.932 183 K CB 0.800 33.252 32.500 -0.080 0.000 1.032 183 K HN 0.582 nan 8.250 nan 0.000 0.466 184 F N 1.723 121.715 119.950 0.070 0.000 2.377 184 F HA 0.115 4.642 4.527 -0.000 0.000 0.328 184 F C 0.924 176.737 175.800 0.021 0.000 1.094 184 F CA -0.765 57.301 58.000 0.111 0.000 1.093 184 F CB 0.777 39.835 39.000 0.096 0.000 1.214 184 F HN 0.616 nan 8.300 nan 0.000 0.518 185 N N 0.283 119.123 118.700 0.232 0.000 2.758 185 N HA -0.174 4.566 4.740 -0.000 0.000 0.248 185 N C 0.755 176.125 175.510 -0.233 0.000 1.076 185 N CA 1.116 54.079 53.050 -0.145 0.000 0.696 185 N CB -1.568 36.786 38.487 -0.222 0.000 0.979 185 N HN 0.849 nan 8.380 nan 0.000 0.550 186 T N -4.582 109.869 114.554 -0.172 0.000 3.081 186 T HA 0.391 4.741 4.350 -0.000 0.000 0.250 186 T C 1.511 175.780 174.700 -0.718 0.000 1.100 186 T CA 1.254 63.170 62.100 -0.307 0.000 1.038 186 T CB 0.655 69.455 68.868 -0.115 0.000 0.962 186 T HN 0.796 nan 8.240 nan 0.000 0.516 187 G N 0.741 109.238 108.800 -0.504 0.000 2.234 187 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.235 187 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.235 187 G C 0.199 175.151 174.900 0.087 0.000 0.997 187 G CA 0.072 45.104 45.100 -0.113 0.000 0.623 187 G HN 0.744 nan 8.290 nan 0.000 0.514 188 T N 2.596 117.146 114.554 -0.008 0.000 2.772 188 T HA 0.556 4.906 4.350 -0.000 0.000 0.288 188 T C 0.337 175.061 174.700 0.041 0.000 0.994 188 T CA 0.183 62.297 62.100 0.023 0.000 0.951 188 T CB 1.626 70.489 68.868 -0.009 0.000 0.933 188 T HN 0.272 nan 8.240 nan 0.000 0.447 189 T N 3.156 117.734 114.554 0.040 0.000 2.933 189 T HA 0.121 4.471 4.350 -0.000 0.000 0.306 189 T C 0.523 175.203 174.700 -0.033 0.000 1.045 189 T CA -0.116 61.980 62.100 -0.006 0.000 1.143 189 T CB 0.183 69.036 68.868 -0.026 0.000 1.003 189 T HN 0.338 nan 8.240 nan 0.000 0.540 190 V N 5.468 125.326 119.914 -0.093 0.000 2.385 190 V HA 0.139 4.258 4.120 -0.000 0.000 0.269 190 V C 1.053 177.067 176.094 -0.134 0.000 1.043 190 V CA -0.210 62.065 62.300 -0.041 0.000 0.906 190 V CB 1.245 33.165 31.823 0.161 0.000 0.995 190 V HN 0.842 nan 8.190 nan 0.000 0.467 191 V N 3.548 123.453 119.914 -0.016 0.000 2.581 191 V HA 0.160 4.280 4.120 -0.000 0.000 0.240 191 V C 0.766 176.919 176.094 0.099 0.000 1.054 191 V CA 0.686 62.991 62.300 0.009 0.000 1.076 191 V CB -0.077 31.749 31.823 0.006 0.000 0.748 191 V HN 0.878 nan 8.190 nan 0.000 0.474 192 N N 0.382 119.143 118.700 0.101 0.000 2.617 192 N HA 0.561 5.301 4.740 -0.000 0.000 0.263 192 N C -0.520 175.061 175.510 0.118 0.000 1.074 192 N CA 0.539 53.657 53.050 0.113 0.000 0.841 192 N CB 1.213 39.739 38.487 0.066 0.000 1.221 192 N HN 0.448 nan 8.380 nan 0.000 0.529 193 G N 0.556 109.464 108.800 0.180 0.000 2.466 193 G HA2 0.744 4.704 3.960 -0.000 0.000 0.291 193 G HA3 0.744 4.704 3.960 -0.000 0.000 0.291 193 G C -1.986 173.044 174.900 0.215 0.000 1.460 193 G CA -0.155 45.040 45.100 0.158 0.000 0.791 193 G HN 0.651 nan 8.290 nan 0.000 0.505 194 A N 0.241 123.112 122.820 0.084 0.000 2.589 194 A HA 0.891 5.211 4.320 -0.000 0.000 0.296 194 A C -1.105 176.378 177.584 -0.168 0.000 1.062 194 A CA -0.530 51.531 52.037 0.039 0.000 0.686 194 A CB 2.265 21.222 19.000 -0.072 0.000 1.282 194 A HN 1.486 nan 8.150 nan 0.000 0.404 195 N N -0.724 117.843 118.700 -0.223 0.000 3.185 195 N HA 0.499 5.238 4.740 -0.000 0.000 0.238 195 N C -1.475 173.852 175.510 -0.305 0.000 1.451 195 N CA -0.756 52.084 53.050 -0.350 0.000 0.888 195 N CB 0.475 38.610 38.487 -0.586 0.000 1.413 195 N HN 0.414 nan 8.380 nan 0.000 0.511 196 F N 1.465 121.294 119.950 -0.203 0.000 2.607 196 F HA 0.199 4.726 4.527 -0.000 0.000 0.374 196 F C 1.019 176.813 175.800 -0.010 0.000 1.104 196 F CA 0.447 58.369 58.000 -0.130 0.000 1.296 196 F CB 0.123 39.077 39.000 -0.077 0.000 1.085 196 F HN 0.243 nan 8.300 nan 0.000 0.584 197 F N 1.715 121.864 119.950 0.332 0.000 2.485 197 F HA 0.101 4.628 4.527 -0.000 0.000 0.327 197 F C 0.920 176.797 175.800 0.127 0.000 1.203 197 F CA -0.436 57.702 58.000 0.231 0.000 1.295 197 F CB 0.373 39.426 39.000 0.088 0.000 1.191 197 F HN 0.369 nan 8.300 nan 0.000 0.588 198 Q N 2.001 121.953 119.800 0.253 0.000 2.312 198 Q HA 0.545 4.885 4.340 -0.000 0.000 0.236 198 Q C -0.605 175.416 176.000 0.035 0.000 0.965 198 Q CA -0.520 55.334 55.803 0.084 0.000 0.894 198 Q CB 1.987 30.724 28.738 -0.001 0.000 1.225 198 Q HN 0.525 nan 8.270 nan 0.000 0.478 199 I N -0.913 119.666 120.570 0.015 0.000 2.769 199 I HA 0.385 4.554 4.170 -0.000 0.000 0.298 199 I C -0.668 175.441 176.117 -0.013 0.000 1.128 199 I CA -1.300 59.989 61.300 -0.018 0.000 1.031 199 I CB 2.053 40.056 38.000 0.004 0.000 1.235 199 I HN 0.476 nan 8.210 nan 0.000 0.423 200 N N 5.277 123.964 118.700 -0.020 0.000 2.482 200 N HA 0.291 5.031 4.740 -0.000 0.000 0.242 200 N C -0.836 174.676 175.510 0.005 0.000 1.100 200 N CA -0.418 52.632 53.050 0.001 0.000 0.946 200 N CB 1.184 39.671 38.487 0.001 0.000 1.227 200 N HN 0.788 nan 8.380 nan 0.000 0.508 201 R N 2.035 122.549 120.500 0.022 0.000 2.535 201 R HA 0.254 4.594 4.340 -0.000 0.000 0.274 201 R C -0.446 175.881 176.300 0.044 0.000 1.090 201 R CA -0.648 55.468 56.100 0.027 0.000 0.930 201 R CB 2.089 32.399 30.300 0.017 0.000 1.223 201 R HN 0.470 nan 8.270 nan 0.000 0.441 202 R N 1.400 121.938 120.500 0.064 0.000 2.863 202 R HA 0.124 4.464 4.340 -0.000 0.000 0.273 202 R C 1.162 177.463 176.300 0.001 0.000 1.057 202 R CA 0.519 56.660 56.100 0.069 0.000 1.191 202 R CB 0.344 30.706 30.300 0.103 0.000 1.104 202 R HN 0.781 nan 8.270 nan 0.000 0.519 203 A N 1.534 124.330 122.820 -0.040 0.000 1.933 203 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 203 A C 1.521 179.093 177.584 -0.020 0.000 1.175 203 A CA 2.047 54.055 52.037 -0.048 0.000 0.628 203 A CB -0.616 18.341 19.000 -0.072 0.000 0.814 203 A HN 0.863 nan 8.150 nan 0.000 0.444 204 D N -2.402 117.996 120.400 -0.003 0.000 2.348 204 D HA 0.238 4.878 4.640 -0.000 0.000 0.216 204 D C 1.265 177.576 176.300 0.017 0.000 0.970 204 D CA 1.366 55.371 54.000 0.008 0.000 0.889 204 D CB -0.416 40.395 40.800 0.018 0.000 0.912 204 D HN 0.835 nan 8.370 nan 0.000 0.524 205 G N -1.214 107.598 108.800 0.020 0.000 2.253 205 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.209 205 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.209 205 G C 0.433 175.361 174.900 0.046 0.000 0.997 205 G CA 0.059 45.178 45.100 0.032 0.000 0.640 205 G HN 0.426 nan 8.290 nan 0.000 0.496 206 T N 3.255 117.834 114.554 0.043 0.000 2.853 206 T HA 0.447 4.797 4.350 -0.000 0.000 0.298 206 T C 1.073 175.794 174.700 0.034 0.000 0.978 206 T CA 0.316 62.441 62.100 0.043 0.000 1.152 206 T CB 0.516 69.408 68.868 0.040 0.000 0.914 206 T HN 0.773 nan 8.240 nan 0.000 0.539 207 R N 2.049 122.569 120.500 0.033 0.000 2.784 207 R HA 0.198 4.538 4.340 -0.000 0.000 0.266 207 R C -0.015 176.280 176.300 -0.009 0.000 1.044 207 R CA -0.325 55.786 56.100 0.019 0.000 1.151 207 R CB 0.185 30.500 30.300 0.025 0.000 1.037 207 R HN 0.351 nan 8.270 nan 0.000 0.478 208 S N 1.351 117.041 115.700 -0.018 0.000 2.738 208 S HA 0.058 4.528 4.470 -0.000 0.000 0.227 208 S C -0.189 174.375 174.600 -0.060 0.000 1.311 208 S CA -0.388 57.780 58.200 -0.054 0.000 1.249 208 S CB -0.229 62.947 63.200 -0.039 0.000 1.030 208 S HN 0.701 nan 8.310 nan 0.000 0.512 209 S N 1.337 117.005 115.700 -0.054 0.000 2.572 209 S HA 0.041 4.510 4.470 -0.000 0.000 0.267 209 S C 1.547 176.137 174.600 -0.017 0.000 1.361 209 S CA -0.097 58.089 58.200 -0.025 0.000 1.009 209 S CB 0.607 63.796 63.200 -0.018 0.000 0.888 209 S HN 0.553 nan 8.310 nan 0.000 0.553 210 S N 0.362 116.102 115.700 0.067 0.000 2.474 210 S HA -0.115 4.355 4.470 -0.000 0.000 0.235 210 S C 1.736 176.434 174.600 0.164 0.000 0.997 210 S CA 0.752 59.082 58.200 0.217 0.000 0.949 210 S CB -0.966 62.344 63.200 0.184 0.000 0.766 210 S HN 0.936 nan 8.310 nan 0.000 0.517 211 S N 1.368 117.083 115.700 0.026 0.000 2.387 211 S HA 0.079 4.549 4.470 -0.000 0.000 0.221 211 S C 1.798 176.199 174.600 -0.332 0.000 1.041 211 S CA 0.688 58.883 58.200 -0.009 0.000 0.959 211 S CB -0.996 62.245 63.200 0.067 0.000 0.843 211 S HN 0.320 nan 8.310 nan 0.000 0.488 212 V N 2.510 122.100 119.914 -0.540 0.000 2.392 212 V HA -0.150 3.970 4.120 -0.000 0.000 0.249 212 V C 2.818 178.654 176.094 -0.431 0.000 1.059 212 V CA 2.218 64.041 62.300 -0.794 0.000 1.051 212 V CB -1.037 30.546 31.823 -0.400 0.000 0.658 212 V HN 0.565 nan 8.190 nan 0.000 0.455 213 S N -1.735 113.792 115.700 -0.288 0.000 2.377 213 S HA -0.061 4.409 4.470 -0.000 0.000 0.223 213 S C 1.772 176.141 174.600 -0.386 0.000 1.030 213 S CA 1.293 59.277 58.200 -0.361 0.000 0.970 213 S CB -0.237 62.709 63.200 -0.424 0.000 0.830 213 S HN 0.657 nan 8.310 nan 0.000 0.473 214 Y N -0.127 120.090 120.300 -0.139 0.000 2.524 214 Y HA 0.314 4.864 4.550 -0.000 0.000 0.270 214 Y C 1.808 177.633 175.900 -0.126 0.000 1.094 214 Y CA -0.007 58.020 58.100 -0.121 0.000 1.276 214 Y CB 0.266 38.665 38.460 -0.101 0.000 1.130 214 Y HN 0.170 nan 8.280 nan 0.000 0.536 215 I N -1.231 119.387 120.570 0.080 0.000 3.196 215 I HA -0.091 4.079 4.170 -0.000 0.000 0.248 215 I C 2.010 178.209 176.117 0.137 0.000 1.105 215 I CA 0.919 62.264 61.300 0.076 0.000 1.482 215 I CB -1.496 36.615 38.000 0.185 0.000 1.400 215 I HN 0.241 nan 8.210 nan 0.000 0.464 216 H N 1.816 120.887 119.070 0.001 0.000 2.312 216 H HA -0.202 4.354 4.556 -0.000 0.000 0.285 216 H C -0.646 174.675 175.328 -0.011 0.000 1.120 216 H CA 2.123 58.169 56.048 -0.002 0.000 1.179 216 H CB -1.641 28.113 29.762 -0.012 0.000 1.349 216 H HN 0.311 nan 8.280 nan 0.000 0.473 217 P HA -0.047 nan 4.420 nan 0.000 0.233 217 P C 1.168 178.468 177.300 0.001 0.000 1.167 217 P CA 1.129 64.248 63.100 0.032 0.000 0.770 217 P CB -0.231 31.460 31.700 -0.014 0.000 0.837 218 I N -6.366 114.181 120.570 -0.038 0.000 4.025 218 I HA 0.128 4.298 4.170 -0.000 0.000 0.336 218 I C 1.353 177.489 176.117 0.032 0.000 1.390 218 I CA -0.129 61.111 61.300 -0.100 0.000 1.099 218 I CB -0.267 37.541 38.000 -0.320 0.000 1.049 218 I HN -0.347 nan 8.210 nan 0.000 0.394 219 V N 2.016 122.015 119.914 0.142 0.000 2.250 219 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 219 V C 2.285 178.539 176.094 0.266 0.000 1.060 219 V CA 2.116 64.586 62.300 0.284 0.000 1.030 219 V CB -0.636 31.272 31.823 0.142 0.000 0.643 219 V HN 0.519 nan 8.190 nan 0.000 0.445 220 E N -0.212 120.084 120.200 0.161 0.000 2.494 220 E HA 0.020 4.369 4.350 -0.000 0.000 0.193 220 E C 1.010 177.694 176.600 0.140 0.000 1.074 220 E CA -0.031 56.449 56.400 0.133 0.000 0.867 220 E CB -0.281 29.471 29.700 0.086 0.000 0.924 220 E HN 0.711 nan 8.360 nan 0.000 0.502 221 Q N 0.875 120.782 119.800 0.178 0.000 2.330 221 Q HA -0.048 4.292 4.340 -0.000 0.000 0.279 221 Q C 0.330 176.441 176.000 0.184 0.000 1.024 221 Q CA 0.031 55.927 55.803 0.155 0.000 0.900 221 Q CB 0.742 29.552 28.738 0.120 0.000 1.221 221 Q HN -0.059 nan 8.270 nan 0.000 0.396 222 E N 1.778 122.056 120.200 0.130 0.000 2.085 222 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 222 E C 0.983 177.665 176.600 0.136 0.000 0.994 222 E CA 1.749 58.217 56.400 0.112 0.000 0.801 222 E CB -0.044 29.703 29.700 0.079 0.000 0.743 222 E HN 0.700 nan 8.360 nan 0.000 0.453 223 N N 0.081 118.881 118.700 0.166 0.000 2.336 223 N HA -0.040 4.700 4.740 -0.000 0.000 0.189 223 N C -0.521 175.152 175.510 0.271 0.000 1.113 223 N CA -0.041 53.120 53.050 0.186 0.000 0.858 223 N CB 0.011 38.595 38.487 0.161 0.000 0.970 223 N HN 0.133 nan 8.380 nan 0.000 0.471 224 F N 1.126 121.136 119.950 0.100 0.000 2.507 224 F HA 0.585 5.112 4.527 -0.000 0.000 0.325 224 F C -1.078 174.774 175.800 0.087 0.000 1.116 224 F CA -0.561 57.491 58.000 0.087 0.000 0.930 224 F CB 1.935 40.973 39.000 0.063 0.000 1.146 224 F HN -0.194 nan 8.300 nan 0.000 0.447 225 T N 7.386 121.497 114.554 -0.738 0.000 2.840 225 T HA 0.420 4.769 4.350 -0.000 0.000 0.287 225 T C -1.345 172.845 174.700 -0.850 0.000 0.991 225 T CA -0.429 61.310 62.100 -0.603 0.000 0.964 225 T CB 1.402 70.161 68.868 -0.182 0.000 0.954 225 T HN 0.579 nan 8.240 nan 0.000 0.438 226 L N 4.798 125.680 121.223 -0.568 0.000 2.272 226 L HA 0.525 4.865 4.340 -0.000 0.000 0.284 226 L C -1.419 175.446 176.870 -0.008 0.000 1.045 226 L CA -0.654 54.022 54.840 -0.273 0.000 0.842 226 L CB -0.024 41.983 42.059 -0.087 0.000 1.224 226 L HN 0.474 nan 8.230 nan 0.000 0.430 227 L N 5.010 126.191 121.223 -0.071 0.000 2.264 227 L HA 0.637 4.977 4.340 -0.000 0.000 0.289 227 L C 0.716 177.612 176.870 0.043 0.000 1.044 227 L CA 0.046 54.877 54.840 -0.015 0.000 0.807 227 L CB 1.296 43.310 42.059 -0.075 0.000 1.192 227 L HN 0.726 nan 8.230 nan 0.000 0.425 228 T N -1.589 113.030 114.554 0.107 0.000 2.883 228 T HA 0.665 5.015 4.350 -0.000 0.000 0.284 228 T C 0.883 175.633 174.700 0.084 0.000 1.041 228 T CA -0.371 61.800 62.100 0.118 0.000 1.007 228 T CB 1.511 70.494 68.868 0.191 0.000 1.220 228 T HN 0.880 nan 8.240 nan 0.000 0.552 229 G N 0.127 108.974 108.800 0.079 0.000 2.269 229 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.277 229 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.277 229 G C -0.165 174.774 174.900 0.065 0.000 1.008 229 G CA 0.669 45.804 45.100 0.058 0.000 0.774 229 G HN 0.844 nan 8.290 nan 0.000 0.511 230 L N -0.733 120.534 121.223 0.073 0.000 2.333 230 L HA 0.617 4.957 4.340 -0.000 0.000 0.280 230 L C 0.537 177.466 176.870 0.100 0.000 1.004 230 L CA -0.972 53.915 54.840 0.078 0.000 0.820 230 L CB 1.958 44.047 42.059 0.049 0.000 1.247 230 L HN 0.187 nan 8.230 nan 0.000 0.416 231 R N 2.340 122.906 120.500 0.111 0.000 2.445 231 R HA 0.741 5.081 4.340 -0.000 0.000 0.308 231 R C -0.643 175.677 176.300 0.032 0.000 0.961 231 R CA -0.461 55.724 56.100 0.141 0.000 0.862 231 R CB 1.806 32.253 30.300 0.245 0.000 1.144 231 R HN 0.722 nan 8.270 nan 0.000 0.447 232 A N 3.502 126.333 122.820 0.019 0.000 2.327 232 A HA 0.275 4.595 4.320 -0.000 0.000 0.283 232 A C 0.540 178.034 177.584 -0.150 0.000 1.127 232 A CA -0.587 51.410 52.037 -0.068 0.000 0.810 232 A CB 0.498 19.476 19.000 -0.037 0.000 1.066 232 A HN 1.042 nan 8.150 nan 0.000 0.492 233 R N 0.569 120.900 120.500 -0.282 0.000 2.469 233 R HA 0.335 4.675 4.340 -0.000 0.000 0.250 233 R C 0.191 176.377 176.300 -0.190 0.000 0.909 233 R CA 0.042 55.904 56.100 -0.398 0.000 1.050 233 R CB 0.480 30.170 30.300 -1.016 0.000 1.256 233 R HN 0.670 nan 8.270 nan 0.000 0.550 234 Q N 0.844 120.561 119.800 -0.139 0.000 2.479 234 Q HA 0.380 4.720 4.340 -0.000 0.000 0.276 234 Q C -1.808 174.157 176.000 -0.059 0.000 0.989 234 Q CA -0.663 55.099 55.803 -0.068 0.000 0.864 234 Q CB 2.193 30.892 28.738 -0.064 0.000 1.444 234 Q HN 0.154 nan 8.270 nan 0.000 0.388 235 L N 1.836 123.053 121.223 -0.011 0.000 2.360 235 L HA 0.710 5.050 4.340 -0.000 0.000 0.271 235 L C -0.558 176.220 176.870 -0.153 0.000 1.057 235 L CA -0.919 53.850 54.840 -0.118 0.000 0.803 235 L CB 1.674 43.682 42.059 -0.084 0.000 1.207 235 L HN 0.337 nan 8.230 nan 0.000 0.445 236 V N 2.043 121.698 119.914 -0.431 0.000 2.540 236 V HA 0.522 4.642 4.120 -0.000 0.000 0.302 236 V C -0.640 175.125 176.094 -0.548 0.000 1.035 236 V CA -0.366 61.772 62.300 -0.270 0.000 0.873 236 V CB 1.713 33.454 31.823 -0.138 0.000 0.992 236 V HN 0.430 nan 8.190 nan 0.000 0.428 237 F N 1.194 121.138 119.950 -0.010 0.000 2.679 237 F HA 0.634 5.161 4.527 -0.000 0.000 0.341 237 F C 0.166 175.962 175.800 -0.006 0.000 1.095 237 F CA -0.991 57.005 58.000 -0.007 0.000 1.004 237 F CB 1.041 40.036 39.000 -0.008 0.000 1.388 237 F HN 0.318 nan 8.300 nan 0.000 0.505 238 D N -0.621 119.914 120.400 0.225 0.000 2.385 238 D HA 0.527 5.167 4.640 -0.000 0.000 0.254 238 D C 0.755 177.109 176.300 0.089 0.000 1.053 238 D CA -0.138 53.930 54.000 0.113 0.000 0.992 238 D CB 1.770 42.622 40.800 0.087 0.000 1.145 238 D HN 0.539 nan 8.370 nan 0.000 0.523 239 A N 0.596 123.447 122.820 0.052 0.000 1.972 239 A HA -0.151 4.168 4.320 -0.000 0.000 0.219 239 A C 1.429 179.030 177.584 0.029 0.000 1.169 239 A CA 1.369 53.426 52.037 0.033 0.000 0.635 239 A CB -0.199 18.814 19.000 0.022 0.000 0.810 239 A HN 0.465 nan 8.150 nan 0.000 0.446 240 D N -1.152 119.270 120.400 0.037 0.000 2.348 240 D HA 0.012 4.652 4.640 -0.000 0.000 0.216 240 D C 0.571 176.899 176.300 0.047 0.000 0.970 240 D CA 0.484 54.505 54.000 0.035 0.000 0.889 240 D CB -0.078 40.743 40.800 0.035 0.000 0.912 240 D HN 0.443 nan 8.370 nan 0.000 0.524 241 R N -0.827 119.718 120.500 0.076 0.000 3.854 241 R HA -0.179 4.161 4.340 -0.000 0.000 0.352 241 R C 0.292 176.711 176.300 0.199 0.000 1.156 241 R CA 0.423 56.586 56.100 0.105 0.000 0.917 241 R CB -1.868 28.436 30.300 0.008 0.000 1.471 241 R HN 0.136 nan 8.270 nan 0.000 0.521 242 R N 0.813 121.415 120.500 0.169 0.000 2.298 242 R HA 0.253 4.592 4.340 -0.000 0.000 0.310 242 R C -0.081 176.312 176.300 0.156 0.000 1.068 242 R CA -0.236 55.955 56.100 0.153 0.000 0.957 242 R CB 0.914 31.258 30.300 0.074 0.000 1.003 242 R HN 0.261 nan 8.270 nan 0.000 0.454 243 C N 5.054 124.415 119.300 0.102 0.000 2.651 243 C HA 0.112 4.572 4.460 -0.000 0.000 0.410 243 C C 1.843 176.712 174.990 -0.202 0.000 1.372 243 C CA 0.311 59.155 59.018 -0.290 0.000 1.707 243 C CB -0.458 27.084 27.740 -0.330 0.000 2.501 243 C HN 0.983 nan 8.230 nan 0.000 0.598 244 T N 2.545 116.956 114.554 -0.239 0.000 3.014 244 T HA 0.503 4.853 4.350 -0.000 0.000 0.250 244 T C 0.765 175.393 174.700 -0.120 0.000 1.060 244 T CA 0.584 62.610 62.100 -0.124 0.000 1.040 244 T CB 0.253 69.074 68.868 -0.078 0.000 0.971 244 T HN 1.301 nan 8.240 nan 0.000 0.497 245 G N 0.182 108.870 108.800 -0.185 0.000 2.335 245 G HA2 0.455 4.415 3.960 -0.000 0.000 0.291 245 G HA3 0.455 4.415 3.960 -0.000 0.000 0.291 245 G C -2.072 172.731 174.900 -0.161 0.000 1.261 245 G CA 0.002 45.027 45.100 -0.125 0.000 0.871 245 G HN 0.757 nan 8.290 nan 0.000 0.491 246 V N 0.221 120.077 119.914 -0.097 0.000 2.808 246 V HA 0.658 4.777 4.120 -0.000 0.000 0.308 246 V C -1.675 174.381 176.094 -0.064 0.000 1.099 246 V CA -0.844 61.399 62.300 -0.096 0.000 0.920 246 V CB 2.111 33.885 31.823 -0.082 0.000 1.014 246 V HN 0.715 nan 8.190 nan 0.000 0.425 247 D N 5.958 126.310 120.400 -0.080 0.000 2.256 247 D HA 0.613 5.253 4.640 -0.000 0.000 0.250 247 D C -0.024 176.212 176.300 -0.106 0.000 1.093 247 D CA 0.429 54.380 54.000 -0.081 0.000 0.882 247 D CB 1.669 42.404 40.800 -0.108 0.000 1.185 247 D HN 0.791 nan 8.370 nan 0.000 0.437 248 I N -1.840 118.693 120.570 -0.061 0.000 3.042 248 I HA 0.745 4.915 4.170 -0.000 0.000 0.310 248 I C -0.754 175.360 176.117 -0.004 0.000 1.117 248 I CA -1.295 59.980 61.300 -0.041 0.000 1.003 248 I CB 2.277 40.298 38.000 0.035 0.000 1.228 248 I HN 0.138 nan 8.210 nan 0.000 0.443 249 V N 0.126 120.048 119.914 0.015 0.000 2.841 249 V HA 0.544 4.664 4.120 -0.000 0.000 0.310 249 V C -0.427 175.757 176.094 0.150 0.000 1.090 249 V CA -0.278 62.055 62.300 0.054 0.000 0.930 249 V CB 1.587 33.394 31.823 -0.027 0.000 1.014 249 V HN 0.990 nan 8.190 nan 0.000 0.425 250 D N 2.276 122.804 120.400 0.212 0.000 2.323 250 D HA 0.040 4.680 4.640 -0.000 0.000 0.209 250 D C 1.105 177.488 176.300 0.138 0.000 0.973 250 D CA 1.318 55.428 54.000 0.184 0.000 0.874 250 D CB 0.265 41.197 40.800 0.221 0.000 0.930 250 D HN 0.814 nan 8.370 nan 0.000 0.521 251 S N -2.542 113.244 115.700 0.143 0.000 2.760 251 S HA 0.663 5.133 4.470 -0.000 0.000 0.263 251 S C 1.075 175.755 174.600 0.133 0.000 1.007 251 S CA -0.114 58.167 58.200 0.135 0.000 1.358 251 S CB 0.856 64.144 63.200 0.146 0.000 1.228 251 S HN 0.590 nan 8.310 nan 0.000 0.684 252 A N 1.466 124.347 122.820 0.102 0.000 1.392 252 A HA -0.179 4.141 4.320 -0.000 0.000 0.209 252 A C 0.760 178.196 177.584 -0.245 0.000 0.559 252 A CA 0.940 52.922 52.037 -0.091 0.000 1.129 252 A CB -2.123 16.654 19.000 -0.371 0.000 1.456 252 A HN 0.630 nan 8.150 nan 0.000 0.719 253 F N 2.107 122.095 119.950 0.064 0.000 2.776 253 F HA 0.444 4.971 4.527 -0.000 0.000 0.300 253 F C 1.987 177.757 175.800 -0.050 0.000 1.116 253 F CA 0.574 58.580 58.000 0.009 0.000 1.375 253 F CB -0.164 38.827 39.000 -0.014 0.000 1.109 253 F HN 0.622 nan 8.300 nan 0.000 0.585 254 G N -0.781 108.080 108.800 0.103 0.000 2.553 254 G HA2 0.164 4.124 3.960 -0.000 0.000 0.278 254 G HA3 0.164 4.124 3.960 -0.000 0.000 0.278 254 G C -0.100 174.748 174.900 -0.087 0.000 1.349 254 G CA -0.471 44.639 45.100 0.016 0.000 1.037 254 G HN 0.171 nan 8.290 nan 0.000 0.508 255 H N -1.455 117.615 119.070 0.001 0.000 2.408 255 H HA 0.334 4.890 4.556 -0.000 0.000 0.345 255 H C -0.285 174.786 175.328 -0.428 0.000 1.547 255 H CA 0.255 56.201 56.048 -0.169 0.000 1.447 255 H CB 0.871 30.541 29.762 -0.153 0.000 1.686 255 H HN 0.288 nan 8.280 nan 0.000 0.625 256 T N 2.414 116.735 114.554 -0.387 0.000 2.815 256 T HA 0.251 4.601 4.350 -0.000 0.000 0.289 256 T C -0.457 173.980 174.700 -0.440 0.000 1.000 256 T CA -0.779 61.080 62.100 -0.401 0.000 0.958 256 T CB 0.337 69.087 68.868 -0.197 0.000 0.944 256 T HN 0.431 nan 8.240 nan 0.000 0.442 257 H N 1.918 120.989 119.070 0.002 0.000 2.569 257 H HA 0.549 5.105 4.556 -0.000 0.000 0.357 257 H C -0.251 175.069 175.328 -0.013 0.000 1.153 257 H CA -0.987 55.062 56.048 0.002 0.000 1.193 257 H CB 2.155 31.924 29.762 0.011 0.000 1.602 257 H HN 0.373 nan 8.280 nan 0.000 0.523 258 R N 2.774 123.338 120.500 0.108 0.000 2.288 258 R HA 0.353 4.693 4.340 -0.000 0.000 0.326 258 R C -0.965 175.373 176.300 0.063 0.000 0.959 258 R CA -0.609 55.521 56.100 0.050 0.000 0.834 258 R CB 0.452 30.759 30.300 0.012 0.000 1.157 258 R HN 0.476 nan 8.270 nan 0.000 0.470 259 L N 3.431 124.695 121.223 0.068 0.000 2.375 259 L HA 0.507 4.847 4.340 -0.000 0.000 0.271 259 L C 0.129 177.044 176.870 0.075 0.000 1.107 259 L CA -0.663 54.247 54.840 0.116 0.000 0.806 259 L CB 1.572 43.710 42.059 0.132 0.000 1.146 259 L HN 0.657 nan 8.230 nan 0.000 0.447 260 T N -0.487 114.130 114.554 0.104 0.000 2.893 260 T HA 0.805 5.155 4.350 -0.000 0.000 0.291 260 T C -0.532 174.207 174.700 0.065 0.000 1.028 260 T CA -0.840 61.282 62.100 0.038 0.000 0.995 260 T CB 2.099 70.967 68.868 0.001 0.000 1.051 260 T HN 0.712 nan 8.240 nan 0.000 0.470 261 A N 1.734 124.561 122.820 0.011 0.000 2.330 261 A HA 0.587 4.907 4.320 -0.000 0.000 0.313 261 A C 1.031 178.587 177.584 -0.046 0.000 1.124 261 A CA -1.016 51.024 52.037 0.004 0.000 0.774 261 A CB 1.020 20.020 19.000 0.001 0.000 1.198 261 A HN 0.888 nan 8.150 nan 0.000 0.465 262 R N 1.479 121.931 120.500 -0.080 0.000 2.093 262 R HA -0.057 4.283 4.340 -0.000 0.000 0.224 262 R C 0.862 177.079 176.300 -0.137 0.000 1.101 262 R CA 1.399 57.436 56.100 -0.105 0.000 0.979 262 R CB 0.065 30.294 30.300 -0.119 0.000 0.877 262 R HN 0.721 nan 8.270 nan 0.000 0.441 263 N N -0.025 118.527 118.700 -0.247 0.000 2.523 263 N HA 0.085 4.824 4.740 -0.000 0.000 0.209 263 N C 0.060 175.553 175.510 -0.029 0.000 1.039 263 N CA 0.672 53.573 53.050 -0.247 0.000 1.002 263 N CB 0.592 38.676 38.487 -0.671 0.000 1.270 263 N HN 0.102 nan 8.380 nan 0.000 0.481 264 E N -0.211 120.036 120.200 0.078 0.000 2.412 264 E HA 0.458 4.808 4.350 -0.000 0.000 0.279 264 E C -1.448 175.266 176.600 0.189 0.000 0.984 264 E CA -0.550 55.981 56.400 0.217 0.000 0.788 264 E CB 3.201 33.108 29.700 0.345 0.000 1.277 264 E HN -0.232 nan 8.360 nan 0.000 0.455 265 V N 1.561 121.531 119.914 0.093 0.000 2.581 265 V HA 0.463 4.583 4.120 -0.000 0.000 0.303 265 V C -0.663 175.455 176.094 0.041 0.000 1.041 265 V CA -0.709 61.619 62.300 0.048 0.000 0.907 265 V CB 1.899 33.706 31.823 -0.027 0.000 0.994 265 V HN 0.390 nan 8.190 nan 0.000 0.442 266 V N 5.166 125.093 119.914 0.022 0.000 2.483 266 V HA 0.421 4.541 4.120 -0.000 0.000 0.297 266 V C -0.558 175.530 176.094 -0.010 0.000 1.027 266 V CA -0.602 61.699 62.300 0.003 0.000 0.855 266 V CB 1.643 33.460 31.823 -0.011 0.000 0.995 266 V HN 0.604 nan 8.190 nan 0.000 0.424 267 L N 4.157 125.372 121.223 -0.014 0.000 2.290 267 L HA 0.536 4.876 4.340 -0.000 0.000 0.284 267 L C 0.687 177.538 176.870 -0.032 0.000 1.078 267 L CA 0.979 55.805 54.840 -0.024 0.000 0.815 267 L CB 1.623 43.668 42.059 -0.023 0.000 1.162 267 L HN 0.720 nan 8.230 nan 0.000 0.435 268 S N 0.568 116.250 115.700 -0.030 0.000 2.825 268 S HA 0.067 4.537 4.470 -0.000 0.000 0.242 268 S C 0.853 175.438 174.600 -0.025 0.000 0.980 268 S CA 0.033 58.215 58.200 -0.031 0.000 1.107 268 S CB 0.291 63.476 63.200 -0.026 0.000 1.172 268 S HN 0.787 nan 8.310 nan 0.000 0.483 269 T N -0.344 114.185 114.554 -0.041 0.000 3.107 269 T HA 0.510 4.860 4.350 -0.000 0.000 0.249 269 T C 1.163 175.816 174.700 -0.077 0.000 1.096 269 T CA 0.262 62.332 62.100 -0.049 0.000 1.012 269 T CB 0.057 68.883 68.868 -0.071 0.000 0.977 269 T HN 0.797 nan 8.240 nan 0.000 0.527 270 G N 0.754 109.510 108.800 -0.074 0.000 2.685 270 G HA2 0.132 4.092 3.960 -0.000 0.000 0.387 270 G HA3 0.132 4.092 3.960 -0.000 0.000 0.387 270 G C 0.803 175.631 174.900 -0.120 0.000 1.324 270 G CA -0.427 44.627 45.100 -0.077 0.000 0.878 270 G HN 0.748 nan 8.290 nan 0.000 0.527 271 A N -0.851 121.895 122.820 -0.123 0.000 2.024 271 A HA 0.173 4.493 4.320 -0.000 0.000 0.220 271 A C 2.446 179.901 177.584 -0.215 0.000 1.164 271 A CA 2.406 54.342 52.037 -0.169 0.000 0.643 271 A CB -0.271 18.627 19.000 -0.171 0.000 0.806 271 A HN 0.934 nan 8.150 nan 0.000 0.451 272 I N -1.508 118.919 120.570 -0.238 0.000 2.729 272 I HA -0.046 4.124 4.170 -0.000 0.000 0.256 272 I C 1.646 177.549 176.117 -0.358 0.000 1.115 272 I CA 0.813 61.904 61.300 -0.348 0.000 1.446 272 I CB -0.050 37.670 38.000 -0.466 0.000 1.176 272 I HN 0.186 nan 8.210 nan 0.000 0.446 273 D N 0.068 120.277 120.400 -0.318 0.000 2.249 273 D HA -0.070 4.570 4.640 -0.000 0.000 0.205 273 D C 2.014 178.195 176.300 -0.197 0.000 0.962 273 D CA 1.086 54.909 54.000 -0.296 0.000 0.860 273 D CB 0.250 40.840 40.800 -0.350 0.000 0.955 273 D HN 0.230 nan 8.370 nan 0.000 0.505 274 T N 1.814 116.270 114.554 -0.163 0.000 2.643 274 T HA -0.090 4.260 4.350 -0.000 0.000 0.264 274 T C -0.924 173.706 174.700 -0.117 0.000 1.045 274 T CA 1.344 63.372 62.100 -0.120 0.000 1.155 274 T CB -0.926 67.877 68.868 -0.108 0.000 0.863 274 T HN 0.204 nan 8.240 nan 0.000 0.420 275 P HA -0.108 nan 4.420 nan 0.000 0.218 275 P C 1.363 178.595 177.300 -0.113 0.000 1.148 275 P CA 1.329 64.353 63.100 -0.126 0.000 0.822 275 P CB 0.007 31.614 31.700 -0.155 0.000 0.784 276 K N 0.006 120.322 120.400 -0.140 0.000 1.991 276 K HA -0.174 4.146 4.320 -0.000 0.000 0.212 276 K C 2.200 178.752 176.600 -0.080 0.000 1.049 276 K CA 1.363 57.576 56.287 -0.122 0.000 0.932 276 K CB -0.999 31.405 32.500 -0.161 0.000 0.717 276 K HN -0.077 nan 8.250 nan 0.000 0.441 277 L N 1.177 122.354 121.223 -0.077 0.000 2.083 277 L HA -0.085 4.255 4.340 -0.000 0.000 0.209 277 L C 2.093 178.952 176.870 -0.019 0.000 1.083 277 L CA 1.429 56.243 54.840 -0.044 0.000 0.752 277 L CB -0.301 41.730 42.059 -0.047 0.000 0.899 277 L HN 0.290 nan 8.230 nan 0.000 0.433 278 L N -1.827 119.381 121.223 -0.025 0.000 2.083 278 L HA -0.242 4.098 4.340 -0.000 0.000 0.209 278 L C 2.460 179.323 176.870 -0.012 0.000 1.083 278 L CA 1.467 56.306 54.840 -0.001 0.000 0.752 278 L CB -0.390 41.657 42.059 -0.020 0.000 0.899 278 L HN 0.293 nan 8.230 nan 0.000 0.433 279 M N -0.924 118.657 119.600 -0.031 0.000 2.132 279 M HA -0.191 4.289 4.480 -0.000 0.000 0.263 279 M C 2.203 178.480 176.300 -0.039 0.000 1.065 279 M CA 1.621 56.901 55.300 -0.033 0.000 1.122 279 M CB -0.264 32.321 32.600 -0.025 0.000 1.365 279 M HN 0.187 nan 8.290 nan 0.000 0.411 280 L N -0.663 120.540 121.223 -0.034 0.000 2.349 280 L HA -0.172 4.168 4.340 -0.000 0.000 0.220 280 L C 1.678 178.552 176.870 0.006 0.000 1.130 280 L CA 0.706 55.535 54.840 -0.019 0.000 0.791 280 L CB -0.353 41.703 42.059 -0.004 0.000 0.918 280 L HN 0.218 nan 8.230 nan 0.000 0.444 281 S N -0.933 114.782 115.700 0.025 0.000 2.557 281 S HA 0.264 4.734 4.470 -0.000 0.000 0.223 281 S C 1.273 175.894 174.600 0.035 0.000 0.969 281 S CA 0.536 58.787 58.200 0.085 0.000 0.927 281 S CB 0.858 64.169 63.200 0.185 0.000 0.806 281 S HN 0.596 nan 8.310 nan 0.000 0.489 282 G N 1.781 110.568 108.800 -0.021 0.000 2.141 282 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.231 282 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.231 282 G C -0.064 174.778 174.900 -0.096 0.000 0.984 282 G CA -0.341 44.719 45.100 -0.067 0.000 0.660 282 G HN 0.509 nan 8.290 nan 0.000 0.525 283 I N 1.148 121.673 120.570 -0.075 0.000 2.405 283 I HA 0.654 4.824 4.170 -0.000 0.000 0.280 283 I C 0.793 176.881 176.117 -0.050 0.000 1.027 283 I CA 0.053 61.305 61.300 -0.080 0.000 1.161 283 I CB 1.046 38.994 38.000 -0.087 0.000 1.300 283 I HN 0.404 nan 8.210 nan 0.000 0.463 284 G N 6.638 115.413 108.800 -0.043 0.000 2.348 284 G HA2 0.316 4.276 3.960 -0.000 0.000 0.296 284 G HA3 0.316 4.276 3.960 -0.000 0.000 0.296 284 G C -3.331 171.561 174.900 -0.014 0.000 1.258 284 G CA -0.707 44.379 45.100 -0.025 0.000 0.868 284 G HN 0.172 nan 8.290 nan 0.000 0.488 285 P HA 0.366 nan 4.420 nan 0.000 0.267 285 P C 0.757 178.080 177.300 0.039 0.000 1.209 285 P CA 0.720 63.827 63.100 0.011 0.000 0.763 285 P CB 1.294 32.997 31.700 0.005 0.000 0.816 286 A N 4.952 127.779 122.820 0.012 0.000 1.902 286 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 286 A C 2.152 179.748 177.584 0.020 0.000 1.181 286 A CA 1.941 53.981 52.037 0.005 0.000 0.623 286 A CB -1.523 17.471 19.000 -0.011 0.000 0.818 286 A HN 0.507 nan 8.150 nan 0.000 0.443 287 A N -1.425 121.413 122.820 0.030 0.000 2.024 287 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 287 A C 2.087 179.714 177.584 0.071 0.000 1.164 287 A CA 1.767 53.823 52.037 0.032 0.000 0.643 287 A CB -0.887 18.128 19.000 0.025 0.000 0.806 287 A HN 0.803 nan 8.150 nan 0.000 0.451 288 H N -0.425 118.645 119.070 -0.001 0.000 2.415 288 H HA 0.096 4.652 4.556 -0.000 0.000 0.297 288 H C 1.788 177.178 175.328 0.104 0.000 1.048 288 H CA 1.116 57.191 56.048 0.045 0.000 1.365 288 H CB 0.014 29.795 29.762 0.031 0.000 1.421 288 H HN 0.432 nan 8.280 nan 0.000 0.533 289 L N 0.361 121.564 121.223 -0.034 0.000 2.141 289 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 289 L C 3.011 179.853 176.870 -0.047 0.000 1.094 289 L CA 0.834 55.630 54.840 -0.073 0.000 0.763 289 L CB -0.522 41.512 42.059 -0.042 0.000 0.908 289 L HN 0.268 nan 8.230 nan 0.000 0.437 290 A N -0.055 122.744 122.820 -0.036 0.000 1.930 290 A HA -0.226 4.093 4.320 -0.000 0.000 0.217 290 A C 2.194 179.731 177.584 -0.079 0.000 1.175 290 A CA 1.533 53.545 52.037 -0.043 0.000 0.627 290 A CB -0.404 18.578 19.000 -0.031 0.000 0.815 290 A HN 0.407 nan 8.150 nan 0.000 0.443 291 E N -1.289 118.837 120.200 -0.123 0.000 2.268 291 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 291 E C 0.879 177.216 176.600 -0.439 0.000 0.995 291 E CA 0.888 57.128 56.400 -0.267 0.000 0.836 291 E CB -0.021 29.494 29.700 -0.310 0.000 0.763 291 E HN 0.765 nan 8.360 nan 0.000 0.491 292 H N -2.128 116.864 119.070 -0.130 0.000 2.784 292 H HA 0.218 4.774 4.556 -0.000 0.000 0.273 292 H C 0.883 176.161 175.328 -0.083 0.000 1.112 292 H CA 0.597 56.575 56.048 -0.117 0.000 1.162 292 H CB 1.493 31.146 29.762 -0.181 0.000 1.586 292 H HN 0.257 nan 8.280 nan 0.000 0.548 293 G N 1.943 110.745 108.800 0.002 0.000 2.160 293 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.251 293 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.251 293 G C 0.127 175.026 174.900 -0.000 0.000 1.008 293 G CA 0.092 45.189 45.100 -0.004 0.000 0.724 293 G HN 0.331 nan 8.290 nan 0.000 0.514 294 I N 0.806 121.373 120.570 -0.005 0.000 2.342 294 I HA 0.257 4.427 4.170 -0.000 0.000 0.291 294 I C 0.856 176.960 176.117 -0.022 0.000 1.010 294 I CA -0.539 60.752 61.300 -0.016 0.000 1.308 294 I CB 1.308 39.289 38.000 -0.031 0.000 1.400 294 I HN 0.256 nan 8.210 nan 0.000 0.488 295 E N 5.948 126.136 120.200 -0.020 0.000 2.360 295 E HA 0.171 4.521 4.350 -0.000 0.000 0.269 295 E C -1.027 175.550 176.600 -0.038 0.000 1.022 295 E CA -0.537 55.848 56.400 -0.025 0.000 0.887 295 E CB 1.182 30.871 29.700 -0.019 0.000 0.990 295 E HN 0.328 nan 8.360 nan 0.000 0.426 296 V N 6.502 126.391 119.914 -0.043 0.000 2.488 296 V HA -0.021 4.099 4.120 -0.000 0.000 0.277 296 V C 0.915 176.961 176.094 -0.079 0.000 1.046 296 V CA 0.084 62.350 62.300 -0.057 0.000 0.986 296 V CB 1.042 32.837 31.823 -0.047 0.000 0.989 296 V HN 0.733 nan 8.190 nan 0.000 0.475 297 L N 6.572 127.724 121.223 -0.118 0.000 2.388 297 L HA 0.439 4.779 4.340 -0.000 0.000 0.209 297 L C 0.334 177.101 176.870 -0.172 0.000 1.061 297 L CA 1.311 56.047 54.840 -0.173 0.000 0.834 297 L CB 0.799 42.682 42.059 -0.293 0.000 1.029 297 L HN 0.432 nan 8.230 nan 0.000 0.473 298 V N 0.747 120.571 119.914 -0.151 0.000 2.668 298 V HA 0.306 4.426 4.120 -0.000 0.000 0.304 298 V C -1.335 174.711 176.094 -0.080 0.000 1.071 298 V CA -0.981 61.251 62.300 -0.114 0.000 0.894 298 V CB 1.618 33.364 31.823 -0.128 0.000 1.008 298 V HN 0.020 nan 8.190 nan 0.000 0.425 299 D N 2.817 123.181 120.400 -0.059 0.000 2.346 299 D HA 0.240 4.880 4.640 -0.000 0.000 0.260 299 D C -0.067 176.207 176.300 -0.043 0.000 1.252 299 D CA 0.753 54.727 54.000 -0.043 0.000 0.895 299 D CB 1.136 41.915 40.800 -0.034 0.000 1.097 299 D HN 0.523 nan 8.370 nan 0.000 0.489 300 S N 4.666 120.341 115.700 -0.042 0.000 2.279 300 S HA 0.356 4.826 4.470 -0.000 0.000 0.176 300 S C -2.142 172.431 174.600 -0.046 0.000 1.554 300 S CA -1.243 56.931 58.200 -0.044 0.000 1.242 300 S CB 0.992 64.161 63.200 -0.052 0.000 1.163 300 S HN 0.246 nan 8.310 nan 0.000 0.449 301 P HA 0.097 nan 4.420 nan 0.000 0.231 301 P C 1.218 178.465 177.300 -0.087 0.000 1.158 301 P CA 0.579 63.649 63.100 -0.051 0.000 0.763 301 P CB -0.008 31.671 31.700 -0.035 0.000 0.805 302 G N -0.915 107.839 108.800 -0.077 0.000 2.986 302 G HA2 0.057 4.017 3.960 -0.000 0.000 0.213 302 G HA3 0.057 4.017 3.960 -0.000 0.000 0.213 302 G C 0.255 175.049 174.900 -0.177 0.000 1.156 302 G CA 0.022 45.055 45.100 -0.111 0.000 0.763 302 G HN 0.123 nan 8.290 nan 0.000 0.547 303 V N 1.190 121.025 119.914 -0.132 0.000 2.521 303 V HA 0.454 4.574 4.120 -0.000 0.000 0.286 303 V C 1.649 177.641 176.094 -0.170 0.000 1.034 303 V CA 1.329 63.551 62.300 -0.130 0.000 1.045 303 V CB 0.524 32.295 31.823 -0.087 0.000 0.974 303 V HN 0.680 nan 8.190 nan 0.000 0.480 304 G N 3.739 112.424 108.800 -0.192 0.000 2.234 304 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.260 304 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.260 304 G C 0.277 175.007 174.900 -0.283 0.000 0.987 304 G CA 0.202 45.172 45.100 -0.217 0.000 0.625 304 G HN 0.600 nan 8.290 nan 0.000 0.532 305 E N 0.384 120.354 120.200 -0.382 0.000 2.376 305 E HA 0.397 4.747 4.350 -0.000 0.000 0.254 305 E C 1.060 177.297 176.600 -0.605 0.000 1.213 305 E CA -0.010 56.037 56.400 -0.589 0.000 0.945 305 E CB -0.007 29.155 29.700 -0.898 0.000 1.057 305 E HN 0.552 nan 8.360 nan 0.000 0.479 306 H N -1.820 117.157 119.070 -0.155 0.000 2.862 306 H HA -0.199 4.357 4.556 -0.000 0.000 0.290 306 H C 0.028 175.240 175.328 -0.193 0.000 1.211 306 H CA 0.095 56.042 56.048 -0.168 0.000 1.140 306 H CB -2.424 27.228 29.762 -0.183 0.000 1.341 306 H HN 0.119 nan 8.280 nan 0.000 0.392 307 L N 1.520 122.658 121.223 -0.143 0.000 2.418 307 L HA 0.236 4.576 4.340 -0.000 0.000 0.274 307 L C 0.380 177.151 176.870 -0.165 0.000 1.135 307 L CA 0.519 55.251 54.840 -0.180 0.000 0.870 307 L CB 0.648 42.577 42.059 -0.217 0.000 1.154 307 L HN 0.297 nan 8.230 nan 0.000 0.462 308 Q N 3.524 123.221 119.800 -0.171 0.000 2.375 308 Q HA 0.558 4.898 4.340 -0.000 0.000 0.271 308 Q C -1.371 174.596 176.000 -0.056 0.000 1.074 308 Q CA -0.744 54.990 55.803 -0.115 0.000 0.808 308 Q CB 2.441 31.100 28.738 -0.130 0.000 1.327 308 Q HN 0.667 nan 8.270 nan 0.000 0.441 309 D N -0.682 119.762 120.400 0.073 0.000 2.626 309 D HA 0.258 4.898 4.640 -0.000 0.000 0.278 309 D C -1.401 174.922 176.300 0.039 0.000 1.211 309 D CA -0.520 53.564 54.000 0.140 0.000 0.903 309 D CB 1.416 42.358 40.800 0.237 0.000 1.408 309 D HN 0.456 nan 8.370 nan 0.000 0.454 310 H N 1.176 120.313 119.070 0.113 0.000 2.724 310 H HA 0.343 4.898 4.556 -0.000 0.000 0.278 310 H C -1.917 173.368 175.328 -0.072 0.000 1.159 310 H CA -1.686 54.343 56.048 -0.032 0.000 1.254 310 H CB 0.523 30.228 29.762 -0.094 0.000 1.412 310 H HN 0.070 nan 8.280 nan 0.000 0.488 311 P HA 0.025 nan 4.420 nan 0.000 0.268 311 P C 0.137 177.377 177.300 -0.100 0.000 1.208 311 P CA 0.148 63.119 63.100 -0.214 0.000 0.777 311 P CB 1.623 33.058 31.700 -0.442 0.000 0.875 312 E N 0.376 120.511 120.200 -0.108 0.000 2.293 312 E HA 0.594 4.944 4.350 -0.000 0.000 0.270 312 E C -0.580 176.055 176.600 0.058 0.000 0.879 312 E CA -0.928 55.460 56.400 -0.019 0.000 0.756 312 E CB 1.609 31.259 29.700 -0.084 0.000 1.208 312 E HN 0.554 nan 8.360 nan 0.000 0.428 313 G N 1.067 109.917 108.800 0.083 0.000 2.735 313 G HA2 0.654 4.614 3.960 -0.000 0.000 0.301 313 G HA3 0.654 4.614 3.960 -0.000 0.000 0.301 313 G C -1.336 173.639 174.900 0.124 0.000 1.279 313 G CA -0.481 44.669 45.100 0.084 0.000 1.019 313 G HN 0.408 nan 8.290 nan 0.000 0.497 314 V N -1.025 118.976 119.914 0.145 0.000 3.012 314 V HA 0.661 4.781 4.120 -0.000 0.000 0.307 314 V C -1.302 174.920 176.094 0.213 0.000 1.166 314 V CA -0.538 61.890 62.300 0.213 0.000 0.974 314 V CB 2.311 34.299 31.823 0.276 0.000 1.040 314 V HN 0.737 nan 8.190 nan 0.000 0.428 315 V N 5.488 125.492 119.914 0.150 0.000 2.524 315 V HA 0.568 4.688 4.120 -0.000 0.000 0.297 315 V C -0.568 175.419 176.094 -0.179 0.000 1.035 315 V CA -0.592 61.683 62.300 -0.042 0.000 0.867 315 V CB 1.478 33.304 31.823 0.005 0.000 1.004 315 V HN 0.916 nan 8.190 nan 0.000 0.426 316 Q N 3.416 122.977 119.800 -0.399 0.000 2.309 316 Q HA 0.764 5.104 4.340 -0.000 0.000 0.264 316 Q C -1.676 173.897 176.000 -0.711 0.000 1.008 316 Q CA -0.406 55.179 55.803 -0.363 0.000 0.853 316 Q CB 2.831 31.471 28.738 -0.163 0.000 1.314 316 Q HN 0.695 nan 8.270 nan 0.000 0.448 317 F N 0.346 120.058 119.950 -0.398 0.000 2.565 317 F HA 0.272 4.799 4.527 -0.000 0.000 0.313 317 F C 0.280 175.817 175.800 -0.439 0.000 1.091 317 F CA -0.937 56.754 58.000 -0.515 0.000 0.915 317 F CB 1.791 40.193 39.000 -0.997 0.000 1.208 317 F HN 0.302 nan 8.300 nan 0.000 0.453 318 E N 1.965 122.157 120.200 -0.014 0.000 2.257 318 E HA 0.388 4.738 4.350 -0.000 0.000 0.278 318 E C -0.428 176.238 176.600 0.111 0.000 1.049 318 E CA -0.346 56.074 56.400 0.033 0.000 0.876 318 E CB 1.362 31.095 29.700 0.055 0.000 1.035 318 E HN 0.647 nan 8.360 nan 0.000 0.419 319 A N 3.959 126.889 122.820 0.183 0.000 2.366 319 A HA 0.100 4.420 4.320 -0.000 0.000 0.272 319 A C 0.864 178.588 177.584 0.233 0.000 1.135 319 A CA -0.199 52.055 52.037 0.361 0.000 0.804 319 A CB 0.465 19.767 19.000 0.502 0.000 1.064 319 A HN 0.627 nan 8.150 nan 0.000 0.499 320 K N 0.787 121.307 120.400 0.201 0.000 2.305 320 K HA -0.013 4.307 4.320 -0.000 0.000 0.199 320 K C 0.565 177.135 176.600 -0.050 0.000 1.047 320 K CA 0.876 57.191 56.287 0.048 0.000 0.976 320 K CB 0.133 32.635 32.500 0.003 0.000 0.765 320 K HN 0.806 nan 8.250 nan 0.000 0.474 321 Q N 0.027 119.765 119.800 -0.105 0.000 2.486 321 Q HA 0.331 4.671 4.340 -0.000 0.000 0.274 321 Q C -2.687 173.348 176.000 0.059 0.000 1.076 321 Q CA -2.423 53.254 55.803 -0.210 0.000 0.872 321 Q CB 1.244 29.521 28.738 -0.768 0.000 1.383 321 Q HN -0.164 nan 8.270 nan 0.000 0.478 322 P HA 0.093 nan 4.420 nan 0.000 0.276 322 P C -0.770 176.756 177.300 0.375 0.000 1.235 322 P CA 0.136 63.353 63.100 0.196 0.000 0.772 322 P CB 0.510 32.286 31.700 0.127 0.000 0.871 323 M N 2.174 121.982 119.600 0.345 0.000 2.202 323 M HA 0.144 4.624 4.480 -0.000 0.000 0.316 323 M C 0.304 176.756 176.300 0.254 0.000 1.138 323 M CA -0.684 54.816 55.300 0.334 0.000 1.151 323 M CB 0.243 33.005 32.600 0.269 0.000 1.422 323 M HN 0.099 nan 8.290 nan 0.000 0.471 324 V N 0.476 120.520 119.914 0.215 0.000 2.901 324 V HA 0.281 4.400 4.120 -0.000 0.000 0.307 324 V C 0.900 177.143 176.094 0.249 0.000 1.084 324 V CA -0.054 62.356 62.300 0.183 0.000 1.184 324 V CB -0.401 31.488 31.823 0.111 0.000 0.941 324 V HN 0.972 nan 8.190 nan 0.000 0.493 325 A N 2.161 125.114 122.820 0.222 0.000 2.469 325 A HA 0.370 4.690 4.320 -0.000 0.000 0.245 325 A C 0.540 178.327 177.584 0.338 0.000 1.221 325 A CA -0.236 51.975 52.037 0.289 0.000 0.946 325 A CB -0.006 19.105 19.000 0.185 0.000 1.049 325 A HN 0.935 nan 8.150 nan 0.000 0.529 326 E N -0.232 120.057 120.200 0.148 0.000 2.314 326 E HA 0.608 4.958 4.350 -0.000 0.000 0.272 326 E C -1.109 175.231 176.600 -0.434 0.000 0.884 326 E CA -0.538 55.828 56.400 -0.058 0.000 0.753 326 E CB 1.646 31.335 29.700 -0.018 0.000 1.213 326 E HN 0.048 nan 8.360 nan 0.000 0.432 327 S N 0.159 115.316 115.700 -0.905 0.000 2.671 327 S HA 0.382 4.852 4.470 -0.000 0.000 0.277 327 S C 0.789 175.045 174.600 -0.573 0.000 1.165 327 S CA 0.172 57.866 58.200 -0.842 0.000 0.822 327 S CB 1.289 63.688 63.200 -1.336 0.000 1.150 327 S HN 0.556 nan 8.310 nan 0.000 0.479 328 T N 0.583 114.942 114.554 -0.324 0.000 2.737 328 T HA -0.034 4.316 4.350 -0.000 0.000 0.265 328 T C 0.938 175.567 174.700 -0.118 0.000 1.038 328 T CA 1.795 63.805 62.100 -0.150 0.000 1.144 328 T CB -0.492 68.356 68.868 -0.033 0.000 0.866 328 T HN 0.795 nan 8.240 nan 0.000 0.434 329 Q N -1.979 117.735 119.800 -0.144 0.000 1.798 329 Q HA 0.324 4.664 4.340 -0.000 0.000 0.173 329 Q C 0.066 176.399 176.000 0.555 0.000 0.780 329 Q CA -0.632 55.325 55.803 0.256 0.000 0.866 329 Q CB -0.989 27.928 28.738 0.299 0.000 1.234 329 Q HN 0.568 nan 8.270 nan 0.000 0.390 330 W N -1.951 119.517 121.300 0.279 0.000 1.828 330 W HA -0.220 4.440 4.660 -0.000 0.000 0.253 330 W C -0.638 175.743 176.519 -0.230 0.000 1.019 330 W CA 0.568 57.929 57.345 0.026 0.000 0.447 330 W CB -1.835 27.629 29.460 0.007 0.000 2.033 330 W HN 0.405 nan 8.180 nan 0.000 1.268 331 W N 1.130 122.637 121.300 0.345 0.000 1.683 331 W HA 0.473 5.133 4.660 -0.000 0.000 0.295 331 W C 1.025 177.813 176.519 0.449 0.000 0.865 331 W CA -0.486 57.053 57.345 0.322 0.000 2.079 331 W CB -0.318 29.327 29.460 0.309 0.000 2.263 331 W HN -0.124 nan 8.180 nan 0.000 0.427 332 E N 0.529 121.029 120.200 0.500 0.000 2.371 332 E HA 0.087 4.437 4.350 -0.000 0.000 0.194 332 E C 0.566 177.339 176.600 0.287 0.000 1.012 332 E CA 0.585 57.294 56.400 0.515 0.000 0.860 332 E CB 0.844 30.822 29.700 0.464 0.000 0.811 332 E HN 0.291 nan 8.360 nan 0.000 0.502 333 I N 0.456 121.062 120.570 0.059 0.000 2.493 333 I HA 0.376 4.546 4.170 -0.000 0.000 0.298 333 I C 0.144 175.888 176.117 -0.621 0.000 0.998 333 I CA -0.804 60.201 61.300 -0.492 0.000 1.137 333 I CB 2.052 39.728 38.000 -0.539 0.000 1.310 333 I HN -0.105 nan 8.210 nan 0.000 0.445 334 G N 6.013 114.179 108.800 -1.056 0.000 2.519 334 G HA2 0.810 4.770 3.960 -0.000 0.000 0.307 334 G HA3 0.810 4.770 3.960 -0.000 0.000 0.307 334 G C -1.165 173.507 174.900 -0.380 0.000 1.266 334 G CA -0.441 44.273 45.100 -0.643 0.000 0.970 334 G HN 0.458 nan 8.290 nan 0.000 0.481 335 I N 0.711 121.006 120.570 -0.458 0.000 2.478 335 I HA 0.364 4.534 4.170 -0.000 0.000 0.287 335 I C -1.199 174.623 176.117 -0.492 0.000 1.042 335 I CA -0.500 60.616 61.300 -0.306 0.000 1.067 335 I CB 2.013 39.916 38.000 -0.162 0.000 1.233 335 I HN 0.250 nan 8.210 nan 0.000 0.431 336 F N 3.312 123.295 119.950 0.056 0.000 2.450 336 F HA 0.712 5.239 4.527 -0.000 0.000 0.332 336 F C 0.493 176.313 175.800 0.034 0.000 1.093 336 F CA -0.720 57.298 58.000 0.031 0.000 1.003 336 F CB 2.153 41.172 39.000 0.031 0.000 1.151 336 F HN 0.293 nan 8.300 nan 0.000 0.474 337 T N 4.022 118.698 114.554 0.204 0.000 3.291 337 T HA 0.401 4.751 4.350 -0.000 0.000 0.344 337 T C -3.198 171.565 174.700 0.104 0.000 1.293 337 T CA -1.591 60.584 62.100 0.126 0.000 1.108 337 T CB 1.736 70.650 68.868 0.077 0.000 1.231 337 T HN 0.307 nan 8.240 nan 0.000 0.474 338 P HA 0.285 nan 4.420 nan 0.000 0.282 338 P C 0.643 177.973 177.300 0.050 0.000 1.249 338 P CA -0.267 62.871 63.100 0.065 0.000 0.806 338 P CB 1.109 32.839 31.700 0.049 0.000 0.984 339 T N -2.192 112.388 114.554 0.044 0.000 3.086 339 T HA 0.206 4.556 4.350 -0.000 0.000 0.250 339 T C 0.343 175.059 174.700 0.027 0.000 1.074 339 T CA 0.194 62.313 62.100 0.031 0.000 0.988 339 T CB 0.162 69.040 68.868 0.018 0.000 0.988 339 T HN 0.479 nan 8.240 nan 0.000 0.530 340 E N 0.303 120.522 120.200 0.032 0.000 2.390 340 E HA 0.347 4.697 4.350 -0.000 0.000 0.277 340 E C -1.597 175.020 176.600 0.028 0.000 0.939 340 E CA -0.738 55.681 56.400 0.031 0.000 0.769 340 E CB 1.914 31.639 29.700 0.041 0.000 1.251 340 E HN 0.059 nan 8.360 nan 0.000 0.450 341 D N -0.025 120.390 120.400 0.024 0.000 2.344 341 D HA 0.352 4.992 4.640 -0.000 0.000 0.244 341 D C 0.846 177.156 176.300 0.017 0.000 1.134 341 D CA 1.441 55.452 54.000 0.019 0.000 0.930 341 D CB 1.222 42.032 40.800 0.016 0.000 1.175 341 D HN 0.725 nan 8.370 nan 0.000 0.437 342 G N 0.206 109.013 108.800 0.012 0.000 2.159 342 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.256 342 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.256 342 G C -0.012 174.890 174.900 0.003 0.000 0.977 342 G CA 0.111 45.215 45.100 0.007 0.000 0.652 342 G HN 0.376 nan 8.290 nan 0.000 0.531 343 L N 1.005 122.230 121.223 0.004 0.000 2.307 343 L HA 0.549 4.889 4.340 -0.000 0.000 0.282 343 L C 0.951 177.813 176.870 -0.013 0.000 1.051 343 L CA -0.391 54.445 54.840 -0.006 0.000 0.804 343 L CB 1.282 43.342 42.059 0.001 0.000 1.197 343 L HN 0.191 nan 8.230 nan 0.000 0.431 344 D N 0.606 120.991 120.400 -0.024 0.000 2.325 344 D HA 0.079 4.719 4.640 -0.000 0.000 0.225 344 D C 0.243 176.521 176.300 -0.037 0.000 1.096 344 D CA -0.067 53.917 54.000 -0.027 0.000 0.844 344 D CB 0.256 41.040 40.800 -0.026 0.000 0.925 344 D HN 0.373 nan 8.370 nan 0.000 0.513 345 R N 0.150 120.623 120.500 -0.044 0.000 2.604 345 R HA 0.374 4.714 4.340 -0.000 0.000 0.270 345 R C -2.844 173.442 176.300 -0.023 0.000 1.052 345 R CA -1.736 54.331 56.100 -0.055 0.000 0.902 345 R CB 2.432 32.687 30.300 -0.075 0.000 1.233 345 R HN -0.044 nan 8.270 nan 0.000 0.455 346 P HA 0.031 nan 4.420 nan 0.000 0.271 346 P C -0.601 176.770 177.300 0.119 0.000 1.216 346 P CA -0.007 63.140 63.100 0.078 0.000 0.771 346 P CB 0.901 32.697 31.700 0.161 0.000 0.864 347 D N 1.918 122.391 120.400 0.122 0.000 2.360 347 D HA 0.064 4.704 4.640 -0.000 0.000 0.210 347 D C 0.240 176.631 176.300 0.152 0.000 1.047 347 D CA 0.151 54.247 54.000 0.159 0.000 0.854 347 D CB -0.110 40.781 40.800 0.152 0.000 0.936 347 D HN 0.173 nan 8.370 nan 0.000 0.514 348 L N 0.357 121.662 121.223 0.136 0.000 2.385 348 L HA 0.580 4.920 4.340 -0.000 0.000 0.273 348 L C -1.340 175.591 176.870 0.102 0.000 0.990 348 L CA -0.752 54.150 54.840 0.104 0.000 0.821 348 L CB 2.170 44.274 42.059 0.075 0.000 1.279 348 L HN -0.016 nan 8.230 nan 0.000 0.412 349 M N 5.099 124.716 119.600 0.028 0.000 2.572 349 M HA 0.639 5.118 4.480 -0.000 0.000 0.299 349 M C -1.838 174.409 176.300 -0.090 0.000 1.205 349 M CA -0.588 54.633 55.300 -0.130 0.000 0.876 349 M CB 2.355 34.824 32.600 -0.218 0.000 1.728 349 M HN 0.757 nan 8.290 nan 0.000 0.458 350 M N 2.250 121.752 119.600 -0.164 0.000 2.326 350 M HA 0.384 4.864 4.480 -0.000 0.000 0.292 350 M C -1.610 174.683 176.300 -0.012 0.000 1.081 350 M CA -0.610 54.695 55.300 0.008 0.000 0.919 350 M CB 2.398 35.027 32.600 0.049 0.000 1.634 350 M HN 0.704 nan 8.290 nan 0.000 0.451 351 H N 0.398 119.570 119.070 0.169 0.000 2.496 351 H HA 0.430 4.986 4.556 -0.000 0.000 0.342 351 H C -1.553 174.032 175.328 0.427 0.000 1.170 351 H CA -0.076 56.175 56.048 0.339 0.000 1.274 351 H CB 1.093 31.097 29.762 0.404 0.000 1.538 351 H HN 0.534 nan 8.280 nan 0.000 0.542 352 Y N 0.531 121.078 120.300 0.411 0.000 2.328 352 Y HA 0.524 5.074 4.550 -0.000 0.000 0.336 352 Y C -0.316 175.686 175.900 0.170 0.000 0.960 352 Y CA -1.047 57.188 58.100 0.224 0.000 1.134 352 Y CB 1.033 39.476 38.460 -0.028 0.000 1.166 352 Y HN 0.736 nan 8.280 nan 0.000 0.464 353 G N 2.855 111.223 108.800 -0.721 0.000 2.370 353 G HA2 0.345 4.305 3.960 -0.000 0.000 0.317 353 G HA3 0.345 4.305 3.960 -0.000 0.000 0.317 353 G C -0.314 173.912 174.900 -1.123 0.000 1.162 353 G CA -0.645 43.624 45.100 -1.384 0.000 0.922 353 G HN 0.851 nan 8.290 nan 0.000 0.454 354 S N 0.315 115.508 115.700 -0.846 0.000 2.967 354 S HA 0.325 4.795 4.470 -0.000 0.000 0.254 354 S C 0.453 174.999 174.600 -0.091 0.000 1.089 354 S CA 0.091 58.092 58.200 -0.331 0.000 1.183 354 S CB -1.023 62.144 63.200 -0.055 0.000 0.848 354 S HN 1.376 nan 8.310 nan 0.000 0.477 355 V N -4.970 114.814 119.914 -0.217 0.000 3.242 355 V HA 0.693 4.813 4.120 -0.000 0.000 0.298 355 V C -3.368 172.672 176.094 -0.090 0.000 1.352 355 V CA -2.707 59.516 62.300 -0.128 0.000 1.052 355 V CB 1.091 32.799 31.823 -0.191 0.000 1.101 355 V HN 0.015 nan 8.190 nan 0.000 0.446 356 P HA 0.495 nan 4.420 nan 0.000 0.276 356 P C -1.249 176.173 177.300 0.204 0.000 1.252 356 P CA -0.022 63.111 63.100 0.056 0.000 0.802 356 P CB 0.361 32.073 31.700 0.021 0.000 1.035 357 F N 1.754 121.739 119.950 0.058 0.000 2.872 357 F HA 0.219 4.746 4.527 -0.000 0.000 0.365 357 F C -0.183 175.664 175.800 0.078 0.000 1.296 357 F CA -0.765 57.318 58.000 0.139 0.000 1.199 357 F CB 0.140 39.343 39.000 0.338 0.000 1.687 357 F HN 0.127 nan 8.300 nan 0.000 0.604 358 D N 2.020 122.318 120.400 -0.170 0.000 2.342 358 D HA -0.022 4.618 4.640 -0.000 0.000 0.221 358 D C 2.041 178.181 176.300 -0.266 0.000 1.101 358 D CA 0.098 54.001 54.000 -0.162 0.000 0.837 358 D CB -0.200 40.557 40.800 -0.072 0.000 0.938 358 D HN 0.571 nan 8.370 nan 0.000 0.508 359 M N 0.602 119.890 119.600 -0.520 0.000 2.103 359 M HA -0.235 4.245 4.480 -0.000 0.000 0.255 359 M C 0.488 176.622 176.300 -0.276 0.000 1.074 359 M CA 1.702 56.733 55.300 -0.450 0.000 1.090 359 M CB 0.025 32.205 32.600 -0.702 0.000 1.325 359 M HN -0.026 nan 8.290 nan 0.000 0.403 360 N N -1.321 117.227 118.700 -0.254 0.000 2.205 360 N HA 0.075 4.815 4.740 -0.000 0.000 0.201 360 N C 1.068 176.576 175.510 -0.004 0.000 1.128 360 N CA 1.088 54.062 53.050 -0.127 0.000 0.867 360 N CB 0.524 38.925 38.487 -0.144 0.000 0.996 360 N HN 0.564 nan 8.380 nan 0.000 0.503 361 T N -1.713 112.832 114.554 -0.015 0.000 3.034 361 T HA 0.085 4.435 4.350 -0.000 0.000 0.248 361 T C 1.913 176.733 174.700 0.201 0.000 1.040 361 T CA -0.119 62.063 62.100 0.137 0.000 1.107 361 T CB -0.141 68.745 68.868 0.030 0.000 0.932 361 T HN -0.081 nan 8.240 nan 0.000 0.474 362 L N 2.831 124.078 121.223 0.040 0.000 2.013 362 L HA -0.070 4.269 4.340 -0.000 0.000 0.212 362 L C 2.601 179.440 176.870 -0.052 0.000 1.073 362 L CA 1.977 56.816 54.840 -0.001 0.000 0.753 362 L CB -0.525 41.498 42.059 -0.059 0.000 0.890 362 L HN 0.404 nan 8.230 nan 0.000 0.432 363 R N -2.360 118.041 120.500 -0.165 0.000 2.339 363 R HA -0.090 4.250 4.340 -0.000 0.000 0.199 363 R C 0.709 176.750 176.300 -0.431 0.000 1.018 363 R CA 1.439 57.327 56.100 -0.354 0.000 1.036 363 R CB -0.695 29.243 30.300 -0.602 0.000 0.899 363 R HN 0.512 nan 8.270 nan 0.000 0.473 364 H N -0.787 118.245 119.070 -0.063 0.000 2.784 364 H HA 0.277 4.833 4.556 -0.000 0.000 0.273 364 H C 0.714 175.967 175.328 -0.125 0.000 1.112 364 H CA 0.290 56.320 56.048 -0.029 0.000 1.162 364 H CB 1.677 31.524 29.762 0.143 0.000 1.586 364 H HN 0.450 nan 8.280 nan 0.000 0.548 365 G N 0.301 109.088 108.800 -0.021 0.000 2.136 365 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.242 365 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.242 365 G C -0.460 174.332 174.900 -0.179 0.000 0.989 365 G CA -0.354 44.677 45.100 -0.115 0.000 0.682 365 G HN 0.354 nan 8.290 nan 0.000 0.522 366 Y N 1.828 122.141 120.300 0.022 0.000 2.359 366 Y HA 0.427 4.977 4.550 -0.000 0.000 0.334 366 Y C -0.957 174.933 175.900 -0.017 0.000 1.058 366 Y CA -1.509 56.595 58.100 0.006 0.000 1.244 366 Y CB 0.851 39.330 38.460 0.033 0.000 1.187 366 Y HN 0.077 nan 8.280 nan 0.000 0.510 367 P HA 0.171 nan 4.420 nan 0.000 0.272 367 P C -0.486 176.839 177.300 0.041 0.000 1.230 367 P CA -0.227 62.899 63.100 0.043 0.000 0.788 367 P CB 1.437 33.149 31.700 0.020 0.000 0.949 368 T N -2.200 112.363 114.554 0.016 0.000 2.645 368 T HA 0.714 5.064 4.350 -0.000 0.000 0.273 368 T C -0.395 174.305 174.700 0.000 0.000 0.960 368 T CA -0.673 61.430 62.100 0.005 0.000 1.051 368 T CB 1.472 70.339 68.868 -0.002 0.000 1.366 368 T HN 0.589 nan 8.240 nan 0.000 0.536 369 T N -1.401 113.151 114.554 -0.002 0.000 2.769 369 T HA 0.428 4.778 4.350 -0.000 0.000 0.306 369 T C -0.831 173.871 174.700 0.002 0.000 1.400 369 T CA -0.484 61.619 62.100 0.004 0.000 1.007 369 T CB 2.028 70.903 68.868 0.011 0.000 1.392 369 T HN 0.708 nan 8.240 nan 0.000 0.500 370 E N 0.630 120.835 120.200 0.009 0.000 2.498 370 E HA 0.229 4.579 4.350 -0.000 0.000 0.203 370 E C -0.375 176.243 176.600 0.030 0.000 1.013 370 E CA -0.036 56.368 56.400 0.007 0.000 0.927 370 E CB 0.423 30.123 29.700 0.001 0.000 1.012 370 E HN 0.355 nan 8.360 nan 0.000 0.482 371 N N 0.369 119.099 118.700 0.050 0.000 2.682 371 N HA 0.375 5.115 4.740 -0.000 0.000 0.252 371 N C -0.949 174.628 175.510 0.111 0.000 1.081 371 N CA -0.194 52.912 53.050 0.093 0.000 0.844 371 N CB 1.319 39.871 38.487 0.107 0.000 1.167 371 N HN 0.121 nan 8.380 nan 0.000 0.523 372 G N 0.699 109.568 108.800 0.115 0.000 2.554 372 G HA2 0.541 4.501 3.960 -0.000 0.000 0.306 372 G HA3 0.541 4.501 3.960 -0.000 0.000 0.306 372 G C -1.726 173.263 174.900 0.149 0.000 1.320 372 G CA -0.753 44.406 45.100 0.098 0.000 0.800 372 G HN 0.306 nan 8.290 nan 0.000 0.481 373 F N -1.250 118.775 119.950 0.126 0.000 2.640 373 F HA 0.916 5.443 4.527 -0.000 0.000 0.324 373 F C -0.273 175.589 175.800 0.103 0.000 1.077 373 F CA -1.410 56.604 58.000 0.024 0.000 0.965 373 F CB 1.744 40.792 39.000 0.080 0.000 1.351 373 F HN 0.457 nan 8.300 nan 0.000 0.487 374 S N 1.169 117.001 115.700 0.220 0.000 2.568 374 S HA 0.771 5.241 4.470 -0.000 0.000 0.293 374 S C -1.223 173.630 174.600 0.421 0.000 1.089 374 S CA -0.759 57.596 58.200 0.259 0.000 0.945 374 S CB 1.788 65.108 63.200 0.201 0.000 1.077 374 S HN 0.627 nan 8.310 nan 0.000 0.485 375 L N 2.528 124.018 121.223 0.445 0.000 2.376 375 L HA 0.519 4.859 4.340 -0.000 0.000 0.275 375 L C -0.377 176.698 176.870 0.343 0.000 0.987 375 L CA -0.520 54.580 54.840 0.432 0.000 0.828 375 L CB 2.006 44.346 42.059 0.468 0.000 1.249 375 L HN 0.809 nan 8.230 nan 0.000 0.409 376 T N 0.290 115.049 114.554 0.342 0.000 3.053 376 T HA 0.426 4.776 4.350 -0.000 0.000 0.363 376 T C -2.587 172.232 174.700 0.197 0.000 1.239 376 T CA -2.100 60.151 62.100 0.252 0.000 1.071 376 T CB 0.845 69.826 68.868 0.189 0.000 1.089 376 T HN 0.172 nan 8.240 nan 0.000 0.527 377 P HA 0.261 nan 4.420 nan 0.000 0.271 377 P C -0.829 176.529 177.300 0.097 0.000 1.216 377 P CA -0.275 62.895 63.100 0.117 0.000 0.776 377 P CB 0.629 32.395 31.700 0.110 0.000 0.881 378 N N 0.531 119.276 118.700 0.076 0.000 2.225 378 N HA 0.351 5.090 4.740 -0.000 0.000 0.298 378 N C -1.315 174.232 175.510 0.062 0.000 1.076 378 N CA -1.044 52.040 53.050 0.057 0.000 0.792 378 N CB 1.228 39.732 38.487 0.029 0.000 1.498 378 N HN -0.047 nan 8.380 nan 0.000 0.474 379 V N 1.601 121.577 119.914 0.103 0.000 2.455 379 V HA 0.146 4.266 4.120 -0.000 0.000 0.273 379 V C 1.593 177.788 176.094 0.167 0.000 1.045 379 V CA 0.071 62.461 62.300 0.151 0.000 0.976 379 V CB 0.325 32.270 31.823 0.203 0.000 0.993 379 V HN 1.031 nan 8.190 nan 0.000 0.475 380 T N 0.625 115.264 114.554 0.142 0.000 3.023 380 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 380 T C 0.679 175.490 174.700 0.186 0.000 1.093 380 T CA 0.911 63.042 62.100 0.051 0.000 1.129 380 T CB -0.220 68.722 68.868 0.123 0.000 0.899 380 T HN 0.717 nan 8.240 nan 0.000 0.491 381 H N 0.896 120.096 119.070 0.216 0.000 2.511 381 H HA 0.693 5.249 4.556 -0.000 0.000 0.228 381 H C 0.064 175.500 175.328 0.180 0.000 1.424 381 H CA -0.570 55.598 56.048 0.201 0.000 1.321 381 H CB 0.076 29.935 29.762 0.161 0.000 1.720 381 H HN 0.511 nan 8.280 nan 0.000 0.512 382 A N 0.725 123.691 122.820 0.244 0.000 2.520 382 A HA 0.138 4.458 4.320 -0.000 0.000 0.235 382 A C 1.057 178.690 177.584 0.081 0.000 1.065 382 A CA -0.032 52.115 52.037 0.183 0.000 0.764 382 A CB 0.434 19.506 19.000 0.119 0.000 1.002 382 A HN 0.792 nan 8.150 nan 0.000 0.502 383 R N 0.813 121.334 120.500 0.036 0.000 2.397 383 R HA 0.126 4.466 4.340 -0.000 0.000 0.241 383 R C 0.030 176.331 176.300 0.002 0.000 0.914 383 R CA 0.072 56.161 56.100 -0.018 0.000 1.071 383 R CB 0.376 30.615 30.300 -0.101 0.000 1.116 383 R HN 0.634 nan 8.270 nan 0.000 0.524 384 S N 1.464 117.167 115.700 0.005 0.000 2.549 384 S HA 0.243 4.713 4.470 -0.000 0.000 0.279 384 S C 0.049 174.614 174.600 -0.060 0.000 1.321 384 S CA -0.095 58.087 58.200 -0.030 0.000 1.054 384 S CB 0.775 63.934 63.200 -0.068 0.000 0.899 384 S HN 0.101 nan 8.310 nan 0.000 0.497 385 R N 1.331 121.792 120.500 -0.064 0.000 2.621 385 R HA 0.685 5.025 4.340 -0.000 0.000 0.292 385 R C 0.325 176.556 176.300 -0.115 0.000 0.969 385 R CA -0.532 55.521 56.100 -0.077 0.000 0.887 385 R CB 1.687 31.972 30.300 -0.025 0.000 1.180 385 R HN 0.781 nan 8.270 nan 0.000 0.450 386 G N -0.096 108.609 108.800 -0.157 0.000 3.211 386 G HA2 0.655 4.615 3.960 -0.000 0.000 0.262 386 G HA3 0.655 4.615 3.960 -0.000 0.000 0.262 386 G C -0.919 173.866 174.900 -0.192 0.000 1.352 386 G CA -0.351 44.638 45.100 -0.184 0.000 1.004 386 G HN 0.529 nan 8.290 nan 0.000 0.559 387 T N -3.530 110.906 114.554 -0.197 0.000 2.883 387 T HA 0.669 5.019 4.350 -0.000 0.000 0.296 387 T C -1.430 173.146 174.700 -0.207 0.000 1.117 387 T CA -0.701 61.272 62.100 -0.212 0.000 1.006 387 T CB 1.896 70.637 68.868 -0.212 0.000 1.191 387 T HN 0.672 nan 8.240 nan 0.000 0.508 388 V N 1.598 121.381 119.914 -0.218 0.000 2.483 388 V HA 0.643 4.762 4.120 -0.000 0.000 0.297 388 V C -0.215 175.762 176.094 -0.194 0.000 1.027 388 V CA -0.733 61.441 62.300 -0.209 0.000 0.855 388 V CB 1.551 33.235 31.823 -0.231 0.000 0.995 388 V HN 0.871 nan 8.190 nan 0.000 0.424 389 R N 3.365 123.767 120.500 -0.164 0.000 2.888 389 R HA 0.696 5.036 4.340 -0.000 0.000 0.266 389 R C -1.053 175.235 176.300 -0.021 0.000 1.020 389 R CA -0.992 55.037 56.100 -0.120 0.000 0.963 389 R CB 2.067 32.223 30.300 -0.240 0.000 1.197 389 R HN 0.531 nan 8.270 nan 0.000 0.481 390 L N 1.791 123.080 121.223 0.110 0.000 2.426 390 L HA 0.207 4.547 4.340 -0.000 0.000 0.271 390 L C 1.698 178.474 176.870 -0.158 0.000 1.169 390 L CA 0.231 54.988 54.840 -0.140 0.000 0.836 390 L CB 0.584 42.393 42.059 -0.416 0.000 1.112 390 L HN 0.585 nan 8.230 nan 0.000 0.465 391 R N 0.805 121.223 120.500 -0.136 0.000 2.161 391 R HA 0.006 4.346 4.340 -0.000 0.000 0.213 391 R C 0.408 176.682 176.300 -0.044 0.000 1.055 391 R CA 0.866 56.942 56.100 -0.040 0.000 0.996 391 R CB 0.415 30.706 30.300 -0.014 0.000 0.901 391 R HN 0.897 nan 8.270 nan 0.000 0.456 392 S N -1.844 113.735 115.700 -0.201 0.000 2.683 392 S HA 0.123 4.593 4.470 -0.000 0.000 0.269 392 S C -0.116 174.372 174.600 -0.187 0.000 1.165 392 S CA -1.024 57.122 58.200 -0.090 0.000 0.840 392 S CB 0.828 64.029 63.200 0.002 0.000 1.169 392 S HN 0.289 nan 8.310 nan 0.000 0.490 393 R N 0.031 120.503 120.500 -0.047 0.000 2.334 393 R HA 0.257 4.597 4.340 -0.000 0.000 0.220 393 R C -0.554 175.747 176.300 0.002 0.000 0.917 393 R CA 0.040 56.119 56.100 -0.034 0.000 1.073 393 R CB -0.441 29.869 30.300 0.017 0.000 1.056 393 R HN 0.524 nan 8.270 nan 0.000 0.506 394 D N 1.373 121.761 120.400 -0.020 0.000 2.347 394 D HA -0.012 4.628 4.640 -0.000 0.000 0.235 394 D C 0.901 177.154 176.300 -0.079 0.000 1.149 394 D CA -0.982 52.994 54.000 -0.040 0.000 0.850 394 D CB 0.577 41.326 40.800 -0.086 0.000 1.061 394 D HN 0.240 nan 8.370 nan 0.000 0.487 395 F N 3.344 123.257 119.950 -0.061 0.000 2.307 395 F HA -0.055 4.472 4.527 -0.000 0.000 0.301 395 F C 1.573 177.352 175.800 -0.036 0.000 1.076 395 F CA 0.680 58.646 58.000 -0.056 0.000 1.383 395 F CB -0.260 38.709 39.000 -0.052 0.000 1.055 395 F HN 0.224 nan 8.300 nan 0.000 0.526 396 R N 0.517 120.506 120.500 -0.852 0.000 2.189 396 R HA -0.015 4.325 4.340 -0.000 0.000 0.218 396 R C -0.136 176.043 176.300 -0.202 0.000 1.074 396 R CA 0.702 56.441 56.100 -0.602 0.000 0.991 396 R CB -0.521 29.315 30.300 -0.774 0.000 0.883 396 R HN 0.285 nan 8.270 nan 0.000 0.457 397 D N 2.063 122.377 120.400 -0.143 0.000 2.351 397 D HA 0.058 4.698 4.640 -0.000 0.000 0.251 397 D C -0.167 176.137 176.300 0.007 0.000 1.137 397 D CA 0.176 54.149 54.000 -0.044 0.000 0.879 397 D CB 0.878 41.653 40.800 -0.042 0.000 1.181 397 D HN -0.052 nan 8.370 nan 0.000 0.448 398 K N 3.116 123.562 120.400 0.077 0.000 2.469 398 K HA 0.091 4.411 4.320 -0.000 0.000 0.274 398 K C -1.992 174.617 176.600 0.016 0.000 0.983 398 K CA -0.790 55.584 56.287 0.144 0.000 0.974 398 K CB 0.104 32.765 32.500 0.269 0.000 0.913 398 K HN 0.286 nan 8.250 nan 0.000 0.493 399 P HA 0.066 nan 4.420 nan 0.000 0.276 399 P C -0.702 176.535 177.300 -0.104 0.000 1.261 399 P CA -0.252 62.760 63.100 -0.147 0.000 0.800 399 P CB 0.583 32.120 31.700 -0.271 0.000 1.066 400 M N 0.667 120.214 119.600 -0.088 0.000 2.077 400 M HA 0.239 4.719 4.480 -0.000 0.000 0.348 400 M C -0.527 175.713 176.300 -0.100 0.000 1.252 400 M CA -0.505 54.759 55.300 -0.060 0.000 1.096 400 M CB 0.675 33.254 32.600 -0.035 0.000 1.568 400 M HN -0.018 nan 8.290 nan 0.000 0.456 401 V N 2.597 122.465 119.914 -0.076 0.000 2.333 401 V HA 0.275 4.394 4.120 -0.000 0.000 0.274 401 V C -0.568 175.493 176.094 -0.055 0.000 1.028 401 V CA -0.395 61.850 62.300 -0.091 0.000 0.851 401 V CB 1.277 33.069 31.823 -0.053 0.000 1.000 401 V HN 0.693 nan 8.190 nan 0.000 0.456 402 D N 6.534 126.871 120.400 -0.105 0.000 2.378 402 D HA 0.426 5.066 4.640 -0.000 0.000 0.265 402 D C -2.152 174.033 176.300 -0.193 0.000 1.229 402 D CA -1.851 52.084 54.000 -0.108 0.000 0.914 402 D CB 2.368 43.114 40.800 -0.089 0.000 1.140 402 D HN 0.195 nan 8.370 nan 0.000 0.516 403 P HA 0.049 nan 4.420 nan 0.000 0.241 403 P C -0.466 176.530 177.300 -0.508 0.000 1.191 403 P CA 0.118 62.914 63.100 -0.507 0.000 0.771 403 P CB 0.143 31.279 31.700 -0.940 0.000 0.929 404 R N -2.007 118.296 120.500 -0.329 0.000 3.188 404 R HA -0.208 4.132 4.340 -0.000 0.000 0.247 404 R C -0.677 175.525 176.300 -0.162 0.000 0.918 404 R CA 0.148 56.148 56.100 -0.166 0.000 0.629 404 R CB -3.107 27.128 30.300 -0.109 0.000 1.087 404 R HN 0.333 nan 8.270 nan 0.000 0.462 405 Y N 0.942 121.192 120.300 -0.083 0.000 2.712 405 Y HA -0.068 4.481 4.550 -0.000 0.000 0.333 405 Y C 1.345 177.150 175.900 -0.158 0.000 1.225 405 Y CA 0.381 58.303 58.100 -0.296 0.000 1.499 405 Y CB 0.210 38.439 38.460 -0.385 0.000 1.288 405 Y HN 0.226 nan 8.280 nan 0.000 0.575 406 F N 0.527 120.568 119.950 0.151 0.000 3.027 406 F HA -0.277 4.250 4.527 -0.000 0.000 0.276 406 F C 0.955 176.803 175.800 0.080 0.000 0.967 406 F CA 1.067 59.123 58.000 0.092 0.000 0.929 406 F CB -2.233 36.801 39.000 0.057 0.000 0.873 406 F HN 0.615 nan 8.300 nan 0.000 0.787 407 T N -4.252 110.397 114.554 0.159 0.000 3.043 407 T HA 0.088 4.438 4.350 -0.000 0.000 0.272 407 T C 0.366 175.118 174.700 0.087 0.000 0.990 407 T CA 0.097 62.265 62.100 0.112 0.000 0.897 407 T CB 0.103 69.007 68.868 0.060 0.000 1.111 407 T HN 0.507 nan 8.240 nan 0.000 0.529 408 D N 3.220 123.678 120.400 0.096 0.000 2.493 408 D HA 0.011 4.651 4.640 -0.000 0.000 0.240 408 D C -1.501 174.853 176.300 0.090 0.000 1.142 408 D CA -1.014 53.034 54.000 0.080 0.000 0.872 408 D CB 1.543 42.393 40.800 0.083 0.000 1.173 408 D HN 0.129 nan 8.370 nan 0.000 0.467 409 P HA -0.105 nan 4.420 nan 0.000 0.233 409 P C 1.006 178.348 177.300 0.070 0.000 1.167 409 P CA 0.712 63.849 63.100 0.061 0.000 0.770 409 P CB 0.235 31.960 31.700 0.043 0.000 0.837 410 E N 0.470 120.720 120.200 0.083 0.000 2.371 410 E HA 0.037 4.387 4.350 -0.000 0.000 0.194 410 E C 0.930 177.602 176.600 0.120 0.000 1.012 410 E CA 0.636 57.093 56.400 0.095 0.000 0.860 410 E CB -0.529 29.231 29.700 0.101 0.000 0.811 410 E HN 0.172 nan 8.360 nan 0.000 0.502 411 G N 1.857 110.741 108.800 0.141 0.000 2.198 411 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.257 411 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.257 411 G C 0.519 175.528 174.900 0.181 0.000 1.042 411 G CA 0.627 45.815 45.100 0.146 0.000 0.791 411 G HN 0.546 nan 8.290 nan 0.000 0.502 412 H N 0.268 119.405 119.070 0.110 0.000 2.355 412 H HA 0.016 4.572 4.556 -0.000 0.000 0.303 412 H C 1.878 177.294 175.328 0.147 0.000 1.061 412 H CA 1.762 57.875 56.048 0.109 0.000 1.368 412 H CB 0.166 29.987 29.762 0.097 0.000 1.412 412 H HN 0.368 nan 8.280 nan 0.000 0.523 413 D N 0.665 121.314 120.400 0.415 0.000 2.144 413 D HA -0.135 4.505 4.640 -0.000 0.000 0.199 413 D C 2.298 178.823 176.300 0.375 0.000 0.984 413 D CA 0.899 55.138 54.000 0.397 0.000 0.834 413 D CB -0.289 40.745 40.800 0.391 0.000 0.955 413 D HN 0.333 nan 8.370 nan 0.000 0.465 414 M N 0.794 120.587 119.600 0.322 0.000 2.067 414 M HA -0.094 4.386 4.480 -0.000 0.000 0.260 414 M C 2.067 178.360 176.300 -0.012 0.000 1.069 414 M CA 1.476 56.784 55.300 0.014 0.000 1.117 414 M CB -0.233 32.322 32.600 -0.075 0.000 1.334 414 M HN -0.205 nan 8.290 nan 0.000 0.407 415 R N -0.791 119.709 120.500 -0.001 0.000 2.103 415 R HA -0.153 4.187 4.340 -0.000 0.000 0.242 415 R C 1.843 178.107 176.300 -0.060 0.000 1.142 415 R CA 2.119 58.197 56.100 -0.037 0.000 0.960 415 R CB -0.522 29.753 30.300 -0.041 0.000 0.858 415 R HN 0.382 nan 8.270 nan 0.000 0.439 416 V N 0.567 120.415 119.914 -0.111 0.000 2.427 416 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 416 V C 2.257 178.360 176.094 0.014 0.000 1.051 416 V CA 1.700 63.956 62.300 -0.072 0.000 1.048 416 V CB -0.395 31.362 31.823 -0.110 0.000 0.666 416 V HN 0.368 nan 8.190 nan 0.000 0.456 417 M N -0.036 119.595 119.600 0.051 0.000 2.099 417 M HA -0.075 4.404 4.480 -0.000 0.000 0.262 417 M C 2.035 178.353 176.300 0.030 0.000 1.067 417 M CA 1.680 57.018 55.300 0.064 0.000 1.124 417 M CB -0.566 32.086 32.600 0.085 0.000 1.353 417 M HN 0.110 nan 8.290 nan 0.000 0.410 418 V N 0.546 120.458 119.914 -0.004 0.000 2.252 418 V HA -0.329 3.790 4.120 -0.000 0.000 0.249 418 V C 2.535 178.642 176.094 0.022 0.000 1.056 418 V CA 2.103 64.404 62.300 0.002 0.000 1.022 418 V CB -1.656 30.159 31.823 -0.014 0.000 0.641 418 V HN 0.639 nan 8.190 nan 0.000 0.445 419 A N 0.116 122.946 122.820 0.016 0.000 1.972 419 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 419 A C 2.379 179.988 177.584 0.042 0.000 1.169 419 A CA 1.948 53.999 52.037 0.024 0.000 0.635 419 A CB -1.112 17.895 19.000 0.013 0.000 0.810 419 A HN 0.565 nan 8.150 nan 0.000 0.446 420 G N -0.077 108.753 108.800 0.050 0.000 2.402 420 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.216 420 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.216 420 G C 1.542 176.495 174.900 0.088 0.000 1.162 420 G CA 0.990 46.132 45.100 0.069 0.000 0.777 420 G HN 0.452 nan 8.290 nan 0.000 0.539 421 I N 0.440 121.063 120.570 0.088 0.000 2.127 421 I HA -0.234 3.936 4.170 -0.000 0.000 0.241 421 I C 3.087 179.257 176.117 0.089 0.000 1.075 421 I CA 1.262 62.620 61.300 0.097 0.000 1.334 421 I CB -0.215 37.838 38.000 0.088 0.000 1.040 421 I HN 0.141 nan 8.210 nan 0.000 0.405 422 R N 0.427 120.967 120.500 0.066 0.000 2.117 422 R HA -0.254 4.086 4.340 -0.000 0.000 0.243 422 R C 2.270 178.614 176.300 0.074 0.000 1.143 422 R CA 1.530 57.667 56.100 0.062 0.000 0.968 422 R CB -0.444 29.882 30.300 0.043 0.000 0.863 422 R HN 0.199 nan 8.270 nan 0.000 0.444 423 K N 0.925 121.369 120.400 0.074 0.000 2.076 423 K HA 0.023 4.343 4.320 -0.000 0.000 0.204 423 K C 1.942 178.597 176.600 0.090 0.000 1.051 423 K CA 1.419 57.747 56.287 0.069 0.000 0.949 423 K CB -0.335 32.200 32.500 0.057 0.000 0.726 423 K HN 0.116 nan 8.250 nan 0.000 0.443 424 A N 0.922 123.818 122.820 0.126 0.000 1.908 424 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 424 A C 2.190 179.916 177.584 0.237 0.000 1.181 424 A CA 1.867 54.017 52.037 0.188 0.000 0.627 424 A CB -0.531 18.614 19.000 0.242 0.000 0.818 424 A HN 0.354 nan 8.150 nan 0.000 0.445 425 R N -0.847 119.790 120.500 0.229 0.000 2.081 425 R HA -0.149 4.190 4.340 -0.000 0.000 0.235 425 R C 2.369 178.756 176.300 0.146 0.000 1.131 425 R CA 1.586 57.837 56.100 0.251 0.000 0.960 425 R CB -0.285 30.120 30.300 0.175 0.000 0.856 425 R HN 0.784 nan 8.270 nan 0.000 0.436 426 E N 0.616 120.874 120.200 0.097 0.000 2.051 426 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 426 E C 1.883 178.501 176.600 0.030 0.000 0.991 426 E CA 1.264 57.697 56.400 0.056 0.000 0.799 426 E CB -0.017 29.710 29.700 0.045 0.000 0.748 426 E HN 0.211 nan 8.360 nan 0.000 0.449 427 I N 1.061 121.649 120.570 0.029 0.000 2.264 427 I HA -0.275 3.895 4.170 -0.000 0.000 0.248 427 I C 2.393 178.478 176.117 -0.053 0.000 1.111 427 I CA 1.434 62.725 61.300 -0.014 0.000 1.382 427 I CB -0.209 37.781 38.000 -0.017 0.000 1.060 427 I HN 0.163 nan 8.210 nan 0.000 0.418 428 A N -0.031 122.756 122.820 -0.055 0.000 1.970 428 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 428 A C 2.369 179.885 177.584 -0.113 0.000 1.170 428 A CA 1.215 53.152 52.037 -0.167 0.000 0.645 428 A CB -0.696 18.049 19.000 -0.425 0.000 0.816 428 A HN 0.375 nan 8.150 nan 0.000 0.447 429 A N -0.914 121.881 122.820 -0.041 0.000 2.206 429 A HA 0.119 4.439 4.320 -0.000 0.000 0.211 429 A C 0.973 178.553 177.584 -0.006 0.000 1.158 429 A CA 0.108 52.142 52.037 -0.005 0.000 0.761 429 A CB -0.169 18.849 19.000 0.030 0.000 0.801 429 A HN 0.469 nan 8.150 nan 0.000 0.473 430 Q N -0.339 119.448 119.800 -0.022 0.000 2.392 430 Q HA 0.126 4.466 4.340 -0.000 0.000 0.262 430 Q C -1.687 174.304 176.000 -0.015 0.000 1.003 430 Q CA -1.834 53.957 55.803 -0.020 0.000 0.888 430 Q CB 0.199 28.916 28.738 -0.035 0.000 1.260 430 Q HN 0.108 nan 8.270 nan 0.000 0.435 431 P HA -0.169 nan 4.420 nan 0.000 0.217 431 P C 0.582 177.884 177.300 0.003 0.000 1.148 431 P CA 1.845 64.945 63.100 -0.001 0.000 0.828 431 P CB 0.207 31.906 31.700 -0.003 0.000 0.783 432 A N -1.810 121.005 122.820 -0.009 0.000 2.209 432 A HA -0.013 4.307 4.320 -0.000 0.000 0.212 432 A C 1.620 179.217 177.584 0.021 0.000 1.158 432 A CA 1.093 53.129 52.037 -0.003 0.000 0.742 432 A CB -0.807 18.173 19.000 -0.032 0.000 0.790 432 A HN 0.084 nan 8.150 nan 0.000 0.472 433 M N -1.069 118.539 119.600 0.013 0.000 2.589 433 M HA 0.270 4.750 4.480 -0.000 0.000 0.344 433 M C 1.622 177.975 176.300 0.089 0.000 1.168 433 M CA 0.456 55.788 55.300 0.054 0.000 0.956 433 M CB -0.223 32.342 32.600 -0.059 0.000 1.370 433 M HN 0.410 nan 8.290 nan 0.000 0.518 434 A N 0.930 123.787 122.820 0.062 0.000 1.902 434 A HA -0.123 4.196 4.320 -0.000 0.000 0.217 434 A C 1.905 179.513 177.584 0.039 0.000 1.181 434 A CA 1.543 53.605 52.037 0.043 0.000 0.623 434 A CB -0.321 18.691 19.000 0.019 0.000 0.818 434 A HN 0.543 nan 8.150 nan 0.000 0.443 435 E N -2.152 118.058 120.200 0.017 0.000 2.338 435 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 435 E C 1.357 177.836 176.600 -0.203 0.000 1.007 435 E CA 0.943 57.270 56.400 -0.122 0.000 0.849 435 E CB -0.092 29.481 29.700 -0.211 0.000 0.774 435 E HN 0.901 nan 8.360 nan 0.000 0.506 436 W N 0.075 121.391 121.300 0.026 0.000 3.227 436 W HA 0.089 4.749 4.660 -0.000 0.000 0.246 436 W C 0.714 177.338 176.519 0.174 0.000 1.007 436 W CA -0.114 57.282 57.345 0.084 0.000 1.925 436 W CB -0.249 29.224 29.460 0.022 0.000 1.062 436 W HN -0.333 nan 8.180 nan 0.000 0.649 437 T N 1.859 116.639 114.554 0.377 0.000 2.738 437 T HA 0.304 4.654 4.350 -0.000 0.000 0.277 437 T C 0.629 175.448 174.700 0.198 0.000 0.981 437 T CA 0.711 62.979 62.100 0.280 0.000 1.211 437 T CB 0.129 69.031 68.868 0.056 0.000 0.932 437 T HN 0.188 nan 8.240 nan 0.000 0.522 438 G N 2.467 111.398 108.800 0.219 0.000 2.773 438 G HA2 0.413 4.373 3.960 -0.000 0.000 0.186 438 G HA3 0.413 4.373 3.960 -0.000 0.000 0.186 438 G C -0.100 174.919 174.900 0.199 0.000 1.411 438 G CA -0.833 44.368 45.100 0.168 0.000 1.054 438 G HN 0.683 nan 8.290 nan 0.000 0.579 439 R N 0.747 121.332 120.500 0.143 0.000 2.438 439 R HA 0.163 4.503 4.340 -0.000 0.000 0.287 439 R C -0.265 176.103 176.300 0.114 0.000 1.077 439 R CA -0.131 56.038 56.100 0.116 0.000 1.034 439 R CB 0.503 30.838 30.300 0.058 0.000 0.993 439 R HN 0.544 nan 8.270 nan 0.000 0.459 440 E N 4.628 124.871 120.200 0.072 0.000 2.180 440 E HA 0.018 4.368 4.350 -0.000 0.000 0.283 440 E C 0.418 176.911 176.600 -0.178 0.000 1.061 440 E CA -0.171 56.127 56.400 -0.170 0.000 0.861 440 E CB 0.780 30.365 29.700 -0.191 0.000 1.056 440 E HN 0.654 nan 8.360 nan 0.000 0.407 441 L N 3.051 124.135 121.223 -0.231 0.000 2.102 441 L HA 0.029 4.369 4.340 -0.000 0.000 0.202 441 L C 0.932 177.750 176.870 -0.088 0.000 1.076 441 L CA 0.395 55.170 54.840 -0.109 0.000 0.761 441 L CB -0.023 41.987 42.059 -0.081 0.000 0.921 441 L HN 0.441 nan 8.230 nan 0.000 0.444 442 S N -1.699 113.849 115.700 -0.253 0.000 2.547 442 S HA 0.425 4.895 4.470 -0.000 0.000 0.281 442 S C -2.371 171.876 174.600 -0.589 0.000 1.118 442 S CA -1.252 56.682 58.200 -0.443 0.000 0.947 442 S CB 2.024 64.936 63.200 -0.481 0.000 1.053 442 S HN -0.144 nan 8.310 nan 0.000 0.482 443 P HA 0.220 nan 4.420 nan 0.000 0.249 443 P C 0.757 177.850 177.300 -0.344 0.000 1.229 443 P CA 0.691 63.098 63.100 -1.155 0.000 0.788 443 P CB -0.656 30.144 31.700 -1.500 0.000 1.072 444 G N 0.753 109.396 108.800 -0.261 0.000 2.981 444 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.686 444 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.686 444 G C 0.675 175.516 174.900 -0.098 0.000 1.068 444 G CA -0.498 44.535 45.100 -0.113 0.000 0.806 444 G HN 0.085 nan 8.290 nan 0.000 0.568 445 V N -0.054 119.826 119.914 -0.057 0.000 2.409 445 V HA -0.310 3.810 4.120 -0.000 0.000 0.261 445 V C 2.413 178.492 176.094 -0.024 0.000 1.099 445 V CA 2.967 65.253 62.300 -0.023 0.000 1.100 445 V CB -0.820 31.008 31.823 0.008 0.000 0.677 445 V HN 0.852 nan 8.190 nan 0.000 0.460 446 E N 1.774 121.959 120.200 -0.025 0.000 2.114 446 E HA -0.016 4.334 4.350 -0.000 0.000 0.199 446 E C 1.363 177.951 176.600 -0.021 0.000 1.008 446 E CA 1.444 57.834 56.400 -0.017 0.000 0.810 446 E CB -0.627 29.065 29.700 -0.014 0.000 0.739 446 E HN 0.886 nan 8.360 nan 0.000 0.456 447 A N 0.401 123.196 122.820 -0.041 0.000 2.396 447 A HA 0.235 4.555 4.320 -0.000 0.000 0.279 447 A C 0.667 178.230 177.584 -0.035 0.000 1.165 447 A CA -0.138 51.874 52.037 -0.042 0.000 0.824 447 A CB 0.697 19.648 19.000 -0.083 0.000 1.100 447 A HN 0.052 nan 8.150 nan 0.000 0.516 448 Q N 0.824 120.615 119.800 -0.014 0.000 2.519 448 Q HA 0.101 4.441 4.340 -0.000 0.000 0.248 448 Q C 1.045 177.046 176.000 0.001 0.000 0.804 448 Q CA 1.234 57.033 55.803 -0.006 0.000 0.979 448 Q CB 0.541 29.279 28.738 -0.000 0.000 1.282 448 Q HN 0.873 nan 8.270 nan 0.000 0.558 449 T N -0.999 113.557 114.554 0.003 0.000 2.828 449 T HA 0.115 4.465 4.350 -0.000 0.000 0.290 449 T C 0.636 175.340 174.700 0.006 0.000 1.019 449 T CA -0.176 61.928 62.100 0.006 0.000 1.031 449 T CB 0.573 69.445 68.868 0.007 0.000 1.001 449 T HN -0.009 nan 8.240 nan 0.000 0.531 450 D N 0.187 120.591 120.400 0.006 0.000 2.158 450 D HA -0.135 4.505 4.640 -0.000 0.000 0.197 450 D C 1.814 178.114 176.300 0.001 0.000 0.995 450 D CA 1.615 55.616 54.000 0.002 0.000 0.846 450 D CB -0.120 40.681 40.800 0.003 0.000 0.941 450 D HN 0.888 nan 8.370 nan 0.000 0.456 451 E N 0.364 120.567 120.200 0.005 0.000 2.072 451 E HA -0.142 4.208 4.350 -0.000 0.000 0.190 451 E C 1.831 178.439 176.600 0.013 0.000 0.982 451 E CA 0.746 57.150 56.400 0.007 0.000 0.803 451 E CB 0.172 29.878 29.700 0.010 0.000 0.755 451 E HN 0.283 nan 8.360 nan 0.000 0.453 452 E N 0.361 120.571 120.200 0.016 0.000 2.077 452 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 452 E C 2.219 178.846 176.600 0.045 0.000 0.989 452 E CA 1.121 57.537 56.400 0.027 0.000 0.800 452 E CB -0.041 29.668 29.700 0.015 0.000 0.746 452 E HN 0.317 nan 8.360 nan 0.000 0.452 453 L N 0.746 121.989 121.223 0.032 0.000 2.109 453 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 453 L C 2.542 179.446 176.870 0.057 0.000 1.086 453 L CA 0.996 55.871 54.840 0.058 0.000 0.760 453 L CB -0.391 41.686 42.059 0.030 0.000 0.910 453 L HN 0.156 nan 8.230 nan 0.000 0.437 454 Q N 0.151 119.948 119.800 -0.005 0.000 2.014 454 Q HA -0.261 4.079 4.340 -0.000 0.000 0.207 454 Q C 1.905 177.873 176.000 -0.055 0.000 0.993 454 Q CA 2.014 57.776 55.803 -0.069 0.000 0.850 454 Q CB -0.214 28.486 28.738 -0.062 0.000 0.916 454 Q HN 0.460 nan 8.270 nan 0.000 0.417 455 D N -0.279 120.123 120.400 0.003 0.000 2.116 455 D HA -0.210 4.430 4.640 -0.000 0.000 0.193 455 D C 1.658 177.979 176.300 0.036 0.000 0.998 455 D CA 1.254 55.268 54.000 0.023 0.000 0.836 455 D CB -0.454 40.375 40.800 0.049 0.000 0.951 455 D HN 0.337 nan 8.370 nan 0.000 0.449 456 Y N 1.275 121.543 120.300 -0.053 0.000 2.114 456 Y HA -0.250 4.300 4.550 -0.000 0.000 0.282 456 Y C 2.357 178.189 175.900 -0.114 0.000 1.165 456 Y CA 1.474 59.524 58.100 -0.083 0.000 1.148 456 Y CB -0.281 38.126 38.460 -0.088 0.000 0.972 456 Y HN -0.096 nan 8.280 nan 0.000 0.504 457 I N 0.264 120.711 120.570 -0.205 0.000 2.142 457 I HA -0.336 3.834 4.170 -0.000 0.000 0.240 457 I C 2.676 178.712 176.117 -0.135 0.000 1.078 457 I CA 1.848 62.982 61.300 -0.276 0.000 1.343 457 I CB -0.539 37.297 38.000 -0.274 0.000 1.046 457 I HN 0.158 nan 8.210 nan 0.000 0.405 458 R N 1.393 121.829 120.500 -0.107 0.000 2.133 458 R HA -0.251 4.088 4.340 -0.000 0.000 0.247 458 R C 2.182 178.494 176.300 0.020 0.000 1.151 458 R CA 1.880 58.008 56.100 0.047 0.000 0.971 458 R CB -0.120 30.191 30.300 0.017 0.000 0.866 458 R HN 0.276 nan 8.270 nan 0.000 0.447 459 K N -1.157 119.167 120.400 -0.127 0.000 2.031 459 K HA -0.047 4.272 4.320 -0.000 0.000 0.205 459 K C 1.604 178.009 176.600 -0.325 0.000 1.049 459 K CA 1.817 57.953 56.287 -0.253 0.000 0.939 459 K CB 0.217 32.405 32.500 -0.520 0.000 0.717 459 K HN 0.410 nan 8.250 nan 0.000 0.438 460 T N -1.572 112.716 114.554 -0.443 0.000 3.084 460 T HA 0.081 4.431 4.350 -0.000 0.000 0.270 460 T C 0.135 174.620 174.700 -0.359 0.000 1.008 460 T CA -0.610 61.217 62.100 -0.455 0.000 0.900 460 T CB -0.411 68.037 68.868 -0.700 0.000 1.084 460 T HN 0.242 nan 8.240 nan 0.000 0.538 461 H N 0.760 119.688 119.070 -0.237 0.000 2.615 461 H HA 0.721 5.277 4.556 -0.000 0.000 0.363 461 H C 0.190 175.428 175.328 -0.149 0.000 1.148 461 H CA -0.524 55.424 56.048 -0.166 0.000 1.401 461 H CB 0.357 30.077 29.762 -0.071 0.000 1.461 461 H HN 0.081 nan 8.280 nan 0.000 0.588 462 N N -0.596 118.124 118.700 0.034 0.000 3.040 462 N HA 0.409 5.149 4.740 -0.000 0.000 0.339 462 N C -0.959 174.450 175.510 -0.168 0.000 1.387 462 N CA -0.165 52.843 53.050 -0.070 0.000 0.745 462 N CB 1.793 40.307 38.487 0.045 0.000 1.237 462 N HN 0.846 nan 8.380 nan 0.000 0.565 463 T N -1.466 112.837 114.554 -0.418 0.000 2.901 463 T HA 0.463 4.813 4.350 -0.000 0.000 0.293 463 T C 0.137 174.437 174.700 -0.665 0.000 1.084 463 T CA -0.634 61.158 62.100 -0.514 0.000 1.008 463 T CB 0.854 69.328 68.868 -0.658 0.000 1.170 463 T HN 0.032 nan 8.240 nan 0.000 0.509 464 V N 2.361 121.954 119.914 -0.535 0.000 3.649 464 V HA 0.214 4.334 4.120 -0.000 0.000 0.275 464 V C -0.045 175.790 176.094 -0.432 0.000 1.281 464 V CA 0.022 61.989 62.300 -0.556 0.000 1.143 464 V CB -1.915 29.530 31.823 -0.630 0.000 0.892 464 V HN 1.045 nan 8.190 nan 0.000 0.441 465 Y N -0.694 119.461 120.300 -0.242 0.000 3.755 465 Y HA -0.217 4.333 4.550 -0.000 0.000 0.230 465 Y C 0.476 176.596 175.900 0.367 0.000 1.363 465 Y CA 0.369 58.548 58.100 0.131 0.000 1.814 465 Y CB -2.923 35.660 38.460 0.206 0.000 1.574 465 Y HN 0.609 nan 8.280 nan 0.000 0.650 466 H N -0.229 119.036 119.070 0.325 0.000 2.351 466 H HA 0.271 4.827 4.556 -0.000 0.000 0.232 466 H C -2.464 172.972 175.328 0.180 0.000 1.452 466 H CA -2.328 53.887 56.048 0.278 0.000 1.236 466 H CB 0.494 30.452 29.762 0.326 0.000 1.579 466 H HN 0.018 nan 8.280 nan 0.000 0.535 467 P HA 0.019 nan 4.420 nan 0.000 0.276 467 P C 0.019 177.220 177.300 -0.164 0.000 1.235 467 P CA -0.025 63.040 63.100 -0.058 0.000 0.772 467 P CB 1.824 33.368 31.700 -0.260 0.000 0.871 468 V N -1.242 118.495 119.914 -0.295 0.000 3.202 468 V HA 0.890 5.010 4.120 -0.000 0.000 0.306 468 V C 0.741 176.647 176.094 -0.313 0.000 1.283 468 V CA -0.208 61.883 62.300 -0.349 0.000 1.065 468 V CB 1.038 32.520 31.823 -0.568 0.000 1.079 468 V HN 0.711 nan 8.190 nan 0.000 0.448 469 G N 0.410 109.031 108.800 -0.298 0.000 2.175 469 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.244 469 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.244 469 G C 0.838 175.628 174.900 -0.183 0.000 0.982 469 G CA 1.170 46.112 45.100 -0.264 0.000 0.641 469 G HN 2.127 nan 8.290 nan 0.000 0.527 470 T N -1.935 112.502 114.554 -0.195 0.000 3.055 470 T HA 0.364 4.714 4.350 -0.000 0.000 0.265 470 T C 0.878 175.480 174.700 -0.164 0.000 1.111 470 T CA 1.244 63.233 62.100 -0.185 0.000 1.118 470 T CB 0.551 69.296 68.868 -0.204 0.000 0.909 470 T HN 0.876 nan 8.240 nan 0.000 0.501 471 V N 2.976 122.794 119.914 -0.160 0.000 2.383 471 V HA 0.374 4.494 4.120 -0.000 0.000 0.261 471 V C 0.018 176.013 176.094 -0.165 0.000 0.987 471 V CA -1.314 60.903 62.300 -0.140 0.000 0.853 471 V CB 0.278 32.024 31.823 -0.128 0.000 1.095 471 V HN 0.533 nan 8.190 nan 0.000 0.461 472 R N 3.443 123.853 120.500 -0.150 0.000 2.500 472 R HA 0.810 5.150 4.340 -0.000 0.000 0.277 472 R C 0.135 176.278 176.300 -0.261 0.000 1.026 472 R CA -0.714 55.236 56.100 -0.249 0.000 1.058 472 R CB 1.219 31.363 30.300 -0.260 0.000 1.078 472 R HN 0.558 nan 8.270 nan 0.000 0.509 473 M N 0.546 119.917 119.600 -0.380 0.000 2.163 473 M HA 0.680 5.160 4.480 -0.000 0.000 0.305 473 M C 0.130 176.270 176.300 -0.267 0.000 1.166 473 M CA -0.033 55.066 55.300 -0.335 0.000 1.132 473 M CB 1.169 33.478 32.600 -0.485 0.000 1.413 473 M HN 0.881 nan 8.290 nan 0.000 0.478 474 G N -0.303 108.400 108.800 -0.162 0.000 2.325 474 G HA2 0.538 4.498 3.960 -0.000 0.000 0.295 474 G HA3 0.538 4.498 3.960 -0.000 0.000 0.295 474 G C -1.761 173.119 174.900 -0.034 0.000 1.274 474 G CA -0.535 44.511 45.100 -0.090 0.000 0.857 474 G HN 1.060 nan 8.290 nan 0.000 0.499 475 A N -0.927 121.886 122.820 -0.011 0.000 2.429 475 A HA 0.529 4.849 4.320 -0.000 0.000 0.242 475 A C 1.636 179.219 177.584 -0.001 0.000 1.088 475 A CA 0.608 52.648 52.037 0.006 0.000 0.784 475 A CB 0.467 19.471 19.000 0.007 0.000 1.038 475 A HN 1.383 nan 8.150 nan 0.000 0.501 476 V N 1.055 120.973 119.914 0.007 0.000 2.548 476 V HA -0.138 3.982 4.120 -0.000 0.000 0.249 476 V C 2.472 178.565 176.094 -0.002 0.000 1.055 476 V CA 2.083 64.385 62.300 0.004 0.000 1.065 476 V CB -0.961 30.868 31.823 0.010 0.000 0.681 476 V HN 1.028 nan 8.190 nan 0.000 0.462 477 E N 0.589 120.789 120.200 -0.001 0.000 2.208 477 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 477 E C 0.694 177.290 176.600 -0.007 0.000 0.988 477 E CA 0.587 56.985 56.400 -0.004 0.000 0.828 477 E CB -0.435 29.264 29.700 -0.002 0.000 0.763 477 E HN 0.527 nan 8.360 nan 0.000 0.478 478 D N 2.204 122.598 120.400 -0.010 0.000 2.349 478 D HA -0.038 4.602 4.640 -0.000 0.000 0.266 478 D C 0.770 177.062 176.300 -0.014 0.000 1.293 478 D CA 0.104 54.096 54.000 -0.014 0.000 0.926 478 D CB 0.737 41.524 40.800 -0.022 0.000 1.090 478 D HN 0.001 nan 8.370 nan 0.000 0.502 479 E N 3.116 123.310 120.200 -0.009 0.000 2.204 479 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 479 E C 1.156 177.755 176.600 -0.002 0.000 0.990 479 E CA 0.734 57.129 56.400 -0.009 0.000 0.821 479 E CB 0.175 29.870 29.700 -0.008 0.000 0.750 479 E HN 0.601 nan 8.360 nan 0.000 0.477 480 M N 0.009 119.615 119.600 0.010 0.000 2.561 480 M HA 0.059 4.539 4.480 -0.000 0.000 0.238 480 M C 0.412 176.754 176.300 0.070 0.000 1.131 480 M CA 0.349 55.683 55.300 0.057 0.000 1.046 480 M CB 0.164 32.817 32.600 0.089 0.000 1.532 480 M HN -0.271 nan 8.290 nan 0.000 0.497 481 S N 1.409 117.106 115.700 -0.005 0.000 2.422 481 S HA 0.278 4.748 4.470 -0.000 0.000 0.308 481 S C -1.613 172.963 174.600 -0.041 0.000 1.097 481 S CA -1.059 57.117 58.200 -0.040 0.000 1.099 481 S CB 1.521 64.672 63.200 -0.081 0.000 0.976 481 S HN 0.062 nan 8.310 nan 0.000 0.471 482 P HA 0.005 nan 4.420 nan 0.000 0.220 482 P C -0.334 176.932 177.300 -0.057 0.000 1.148 482 P CA 1.000 64.067 63.100 -0.053 0.000 0.803 482 P CB 0.128 31.789 31.700 -0.065 0.000 0.782 483 L N -0.426 120.751 121.223 -0.078 0.000 2.342 483 L HA 0.400 4.740 4.340 -0.000 0.000 0.271 483 L C 0.375 177.208 176.870 -0.061 0.000 1.008 483 L CA -1.376 53.422 54.840 -0.070 0.000 0.818 483 L CB 1.262 43.260 42.059 -0.102 0.000 1.296 483 L HN -0.136 nan 8.230 nan 0.000 0.427 484 D N 1.039 121.424 120.400 -0.025 0.000 2.411 484 D HA 0.209 4.849 4.640 -0.000 0.000 0.251 484 D C -2.194 174.120 176.300 0.024 0.000 1.201 484 D CA -2.145 51.855 54.000 -0.000 0.000 0.996 484 D CB 0.444 41.257 40.800 0.021 0.000 1.101 484 D HN 0.141 nan 8.370 nan 0.000 0.504 485 P HA -0.090 nan 4.420 nan 0.000 0.223 485 P C 0.262 177.764 177.300 0.338 0.000 1.144 485 P CA 1.131 64.353 63.100 0.203 0.000 0.783 485 P CB 0.048 31.883 31.700 0.227 0.000 0.771 486 E N -0.342 119.975 120.200 0.195 0.000 2.423 486 E HA 0.157 4.507 4.350 -0.000 0.000 0.198 486 E C 0.708 177.400 176.600 0.153 0.000 1.038 486 E CA -0.382 56.133 56.400 0.192 0.000 1.011 486 E CB -0.626 29.140 29.700 0.110 0.000 1.118 486 E HN 0.214 nan 8.360 nan 0.000 0.451 487 L N -0.592 120.706 121.223 0.124 0.000 4.937 487 L HA -0.276 4.064 4.340 -0.000 0.000 0.422 487 L C 0.136 177.021 176.870 0.025 0.000 1.059 487 L CA 0.770 55.640 54.840 0.051 0.000 1.111 487 L CB -1.449 40.663 42.059 0.088 0.000 2.033 487 L HN 0.180 nan 8.230 nan 0.000 0.708 488 R N 0.491 121.012 120.500 0.035 0.000 2.308 488 R HA 0.488 4.828 4.340 -0.000 0.000 0.305 488 R C 0.151 176.460 176.300 0.015 0.000 1.053 488 R CA -0.661 55.458 56.100 0.032 0.000 0.957 488 R CB 1.290 31.616 30.300 0.043 0.000 1.022 488 R HN -0.081 nan 8.270 nan 0.000 0.461 489 V N 4.045 123.971 119.914 0.020 0.000 2.599 489 V HA -0.032 4.088 4.120 -0.000 0.000 0.300 489 V C 0.691 176.789 176.094 0.006 0.000 1.034 489 V CA 0.259 62.564 62.300 0.009 0.000 1.115 489 V CB 0.146 31.987 31.823 0.031 0.000 0.934 489 V HN 0.634 nan 8.190 nan 0.000 0.485 490 K N 3.150 123.542 120.400 -0.013 0.000 2.237 490 K HA 0.501 4.821 4.320 -0.000 0.000 0.270 490 K C 1.208 177.790 176.600 -0.029 0.000 1.015 490 K CA 0.482 56.760 56.287 -0.015 0.000 0.949 490 K CB 0.902 33.390 32.500 -0.020 0.000 0.976 490 K HN 1.038 nan 8.250 nan 0.000 0.472 491 G N 0.246 109.030 108.800 -0.027 0.000 2.176 491 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.253 491 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.253 491 G C -0.112 174.753 174.900 -0.059 0.000 0.979 491 G CA 0.065 45.137 45.100 -0.047 0.000 0.641 491 G HN 0.429 nan 8.290 nan 0.000 0.530 492 V N 0.046 119.945 119.914 -0.024 0.000 3.160 492 V HA 0.921 5.041 4.120 -0.000 0.000 0.310 492 V C 0.367 176.504 176.094 0.071 0.000 1.181 492 V CA 0.246 62.555 62.300 0.014 0.000 1.047 492 V CB 2.363 34.186 31.823 0.000 0.000 1.068 492 V HN 1.012 nan 8.190 nan 0.000 0.441 493 T N -1.647 112.979 114.554 0.120 0.000 2.901 493 T HA 0.656 5.005 4.350 -0.000 0.000 0.293 493 T C 0.668 175.442 174.700 0.123 0.000 1.084 493 T CA 0.034 62.194 62.100 0.100 0.000 1.008 493 T CB 1.553 70.465 68.868 0.074 0.000 1.170 493 T HN 2.206 nan 8.240 nan 0.000 0.509 494 G N -0.100 108.756 108.800 0.093 0.000 2.168 494 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.257 494 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.257 494 G C -0.336 174.614 174.900 0.083 0.000 0.997 494 G CA 0.522 45.673 45.100 0.084 0.000 0.708 494 G HN 1.194 nan 8.290 nan 0.000 0.520 495 L N -0.292 120.990 121.223 0.098 0.000 2.439 495 L HA 0.836 5.176 4.340 -0.000 0.000 0.270 495 L C -0.193 176.719 176.870 0.069 0.000 0.972 495 L CA -1.006 53.888 54.840 0.090 0.000 0.836 495 L CB 1.448 43.601 42.059 0.157 0.000 1.255 495 L HN 0.203 nan 8.230 nan 0.000 0.404 496 R N 3.126 123.654 120.500 0.046 0.000 2.807 496 R HA 0.844 5.184 4.340 -0.000 0.000 0.276 496 R C -1.570 174.734 176.300 0.006 0.000 0.979 496 R CA -1.034 55.083 56.100 0.027 0.000 0.928 496 R CB 2.623 32.939 30.300 0.028 0.000 1.191 496 R HN 0.414 nan 8.270 nan 0.000 0.471 497 V N 1.114 121.020 119.914 -0.014 0.000 2.555 497 V HA 0.676 4.795 4.120 -0.000 0.000 0.302 497 V C -0.684 175.384 176.094 -0.044 0.000 1.038 497 V CA -0.583 61.695 62.300 -0.037 0.000 0.887 497 V CB 1.716 33.501 31.823 -0.063 0.000 0.991 497 V HN 0.912 nan 8.190 nan 0.000 0.434 498 A N 4.273 127.067 122.820 -0.043 0.000 2.745 498 A HA 0.815 5.135 4.320 -0.000 0.000 0.301 498 A C -0.864 176.694 177.584 -0.045 0.000 1.188 498 A CA -0.418 51.598 52.037 -0.035 0.000 0.746 498 A CB 0.468 19.459 19.000 -0.015 0.000 1.207 498 A HN 1.006 nan 8.150 nan 0.000 0.432 499 D N -0.117 120.246 120.400 -0.062 0.000 2.893 499 D HA 0.368 5.008 4.640 -0.000 0.000 0.346 499 D C 0.722 176.972 176.300 -0.083 0.000 1.402 499 D CA 0.082 54.048 54.000 -0.056 0.000 0.815 499 D CB 0.324 41.091 40.800 -0.055 0.000 1.403 499 D HN 0.539 nan 8.370 nan 0.000 0.484 500 A N -0.278 122.498 122.820 -0.073 0.000 2.186 500 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 500 A C 1.872 179.351 177.584 -0.176 0.000 1.159 500 A CA 1.892 53.868 52.037 -0.102 0.000 0.680 500 A CB -0.999 17.958 19.000 -0.072 0.000 0.787 500 A HN 0.401 nan 8.150 nan 0.000 0.467 501 S N -0.588 115.009 115.700 -0.172 0.000 2.419 501 S HA -0.140 4.330 4.470 -0.000 0.000 0.233 501 S C 1.878 176.327 174.600 -0.253 0.000 1.016 501 S CA 1.511 59.591 58.200 -0.200 0.000 0.974 501 S CB -0.471 62.628 63.200 -0.168 0.000 0.786 501 S HN 0.930 nan 8.310 nan 0.000 0.492 502 V N -0.675 119.066 119.914 -0.288 0.000 3.217 502 V HA 0.199 4.319 4.120 -0.000 0.000 0.264 502 V C 0.662 176.398 176.094 -0.597 0.000 1.135 502 V CA 0.279 62.341 62.300 -0.396 0.000 1.142 502 V CB -0.908 30.667 31.823 -0.413 0.000 0.754 502 V HN 0.346 nan 8.190 nan 0.000 0.484 503 M N 1.709 120.960 119.600 -0.581 0.000 2.269 503 M HA 0.184 4.664 4.480 -0.000 0.000 0.350 503 M C -1.375 174.456 176.300 -0.782 0.000 1.429 503 M CA -0.849 53.968 55.300 -0.805 0.000 1.063 503 M CB 0.633 32.973 32.600 -0.432 0.000 1.841 503 M HN 0.073 nan 8.290 nan 0.000 0.455 504 P HA -0.011 nan 4.420 nan 0.000 0.225 504 P C -0.287 176.514 177.300 -0.831 0.000 1.156 504 P CA 1.149 63.722 63.100 -0.877 0.000 0.787 504 P CB 0.338 31.472 31.700 -0.943 0.000 0.802 505 E N -2.045 117.782 120.200 -0.622 0.000 2.363 505 E HA 0.234 4.584 4.350 -0.000 0.000 0.281 505 E C -0.999 175.617 176.600 0.028 0.000 0.953 505 E CA -0.765 55.464 56.400 -0.286 0.000 0.778 505 E CB 0.478 30.052 29.700 -0.211 0.000 1.220 505 E HN -0.121 nan 8.360 nan 0.000 0.431 506 H N 1.555 120.577 119.070 -0.080 0.000 2.836 506 H HA 0.281 4.837 4.556 -0.000 0.000 0.368 506 H C -0.048 175.285 175.328 0.008 0.000 1.164 506 H CA 0.671 56.678 56.048 -0.067 0.000 1.425 506 H CB 0.749 30.396 29.762 -0.192 0.000 1.414 506 H HN 0.390 nan 8.280 nan 0.000 0.614 507 V N 0.917 121.092 119.914 0.436 0.000 2.837 507 V HA 0.231 4.351 4.120 -0.000 0.000 0.310 507 V C 1.153 177.302 176.094 0.092 0.000 1.059 507 V CA -0.330 62.113 62.300 0.239 0.000 1.004 507 V CB 1.231 33.210 31.823 0.260 0.000 1.045 507 V HN 0.842 nan 8.190 nan 0.000 0.465 508 T N 1.914 116.514 114.554 0.075 0.000 2.833 508 T HA -0.018 4.332 4.350 -0.000 0.000 0.269 508 T C 0.751 175.388 174.700 -0.105 0.000 1.054 508 T CA 1.746 63.865 62.100 0.031 0.000 1.135 508 T CB -0.472 68.416 68.868 0.034 0.000 0.869 508 T HN 1.048 nan 8.240 nan 0.000 0.466 509 V N -0.360 119.495 119.914 -0.099 0.000 2.994 509 V HA 0.429 4.549 4.120 -0.000 0.000 0.318 509 V C -0.241 175.871 176.094 0.030 0.000 1.085 509 V CA -1.911 60.280 62.300 -0.182 0.000 0.998 509 V CB 1.063 32.584 31.823 -0.504 0.000 1.063 509 V HN 0.187 nan 8.190 nan 0.000 0.447 510 N N 3.399 122.143 118.700 0.073 0.000 2.236 510 N HA 0.008 4.748 4.740 -0.000 0.000 0.274 510 N C -1.848 173.648 175.510 -0.023 0.000 1.339 510 N CA -0.121 52.885 53.050 -0.074 0.000 0.845 510 N CB 0.638 39.150 38.487 0.042 0.000 1.091 510 N HN 0.644 nan 8.380 nan 0.000 0.489 511 P HA -0.062 nan 4.420 nan 0.000 0.245 511 P C 0.972 178.318 177.300 0.077 0.000 1.203 511 P CA 0.402 63.549 63.100 0.078 0.000 0.792 511 P CB 0.206 31.999 31.700 0.154 0.000 0.997 512 N N 1.188 119.901 118.700 0.021 0.000 2.027 512 N HA -0.171 4.569 4.740 -0.000 0.000 0.200 512 N C 1.604 177.168 175.510 0.090 0.000 1.042 512 N CA 1.712 54.791 53.050 0.048 0.000 0.871 512 N CB -0.244 38.255 38.487 0.020 0.000 1.063 512 N HN -0.098 nan 8.380 nan 0.000 0.438 513 I N 1.117 121.753 120.570 0.109 0.000 2.335 513 I HA -0.196 3.974 4.170 -0.000 0.000 0.251 513 I C 2.095 178.348 176.117 0.227 0.000 1.129 513 I CA 1.259 62.648 61.300 0.148 0.000 1.402 513 I CB -1.675 36.401 38.000 0.127 0.000 1.069 513 I HN 0.279 nan 8.210 nan 0.000 0.424 514 T N 0.986 115.685 114.554 0.243 0.000 2.867 514 T HA -0.051 4.299 4.350 -0.000 0.000 0.268 514 T C 2.181 176.975 174.700 0.157 0.000 1.057 514 T CA 0.887 63.141 62.100 0.256 0.000 1.136 514 T CB -0.261 68.770 68.868 0.271 0.000 0.874 514 T HN 0.143 nan 8.240 nan 0.000 0.466 515 V N 1.606 121.598 119.914 0.129 0.000 2.270 515 V HA -0.184 3.936 4.120 -0.000 0.000 0.245 515 V C 2.502 178.629 176.094 0.056 0.000 1.043 515 V CA 1.629 63.980 62.300 0.085 0.000 1.014 515 V CB -0.698 31.160 31.823 0.059 0.000 0.645 515 V HN 0.440 nan 8.190 nan 0.000 0.447 516 M N -0.923 118.713 119.600 0.060 0.000 2.089 516 M HA -0.294 4.186 4.480 -0.000 0.000 0.257 516 M C 2.376 178.681 176.300 0.008 0.000 1.071 516 M CA 2.212 57.537 55.300 0.041 0.000 1.096 516 M CB -0.550 32.118 32.600 0.113 0.000 1.330 516 M HN 0.323 nan 8.290 nan 0.000 0.403 517 M N 0.538 120.133 119.600 -0.008 0.000 2.108 517 M HA -0.249 4.230 4.480 -0.000 0.000 0.257 517 M C 1.975 178.256 176.300 -0.031 0.000 1.071 517 M CA 2.053 57.273 55.300 -0.134 0.000 1.093 517 M CB -0.662 31.672 32.600 -0.442 0.000 1.345 517 M HN 0.287 nan 8.290 nan 0.000 0.403 518 I N -0.366 120.252 120.570 0.081 0.000 2.315 518 I HA -0.187 3.983 4.170 -0.000 0.000 0.248 518 I C 2.497 178.693 176.117 0.132 0.000 1.117 518 I CA 1.205 62.638 61.300 0.221 0.000 1.404 518 I CB -0.775 37.341 38.000 0.194 0.000 1.071 518 I HN 0.407 nan 8.210 nan 0.000 0.419 519 G N 0.199 109.011 108.800 0.020 0.000 2.433 519 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 519 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 519 G C 1.482 176.341 174.900 -0.070 0.000 1.186 519 G CA 0.417 45.488 45.100 -0.049 0.000 0.779 519 G HN 0.290 nan 8.290 nan 0.000 0.543 520 E N 0.480 120.631 120.200 -0.083 0.000 2.086 520 E HA -0.260 4.090 4.350 -0.000 0.000 0.205 520 E C 2.493 179.049 176.600 -0.073 0.000 1.027 520 E CA 1.504 57.858 56.400 -0.078 0.000 0.830 520 E CB -0.257 29.402 29.700 -0.068 0.000 0.751 520 E HN 0.373 nan 8.360 nan 0.000 0.456 521 R N 0.789 121.253 120.500 -0.060 0.000 2.120 521 R HA -0.101 4.239 4.340 -0.000 0.000 0.234 521 R C 2.477 178.751 176.300 -0.044 0.000 1.123 521 R CA 1.493 57.529 56.100 -0.108 0.000 0.975 521 R CB -0.857 29.307 30.300 -0.228 0.000 0.866 521 R HN 0.292 nan 8.270 nan 0.000 0.446 522 C N -0.373 118.945 119.300 0.029 0.000 2.476 522 C HA 0.192 4.652 4.460 -0.000 0.000 0.278 522 C C 2.712 177.677 174.990 -0.043 0.000 1.274 522 C CA 0.742 59.780 59.018 0.033 0.000 1.713 522 C CB -1.171 26.593 27.740 0.041 0.000 2.039 522 C HN 0.654 nan 8.230 nan 0.000 0.484 523 A N 0.715 123.491 122.820 -0.074 0.000 1.869 523 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 523 A C 1.809 179.335 177.584 -0.097 0.000 1.203 523 A CA 2.695 54.666 52.037 -0.109 0.000 0.638 523 A CB -1.180 17.756 19.000 -0.105 0.000 0.831 523 A HN 0.634 nan 8.150 nan 0.000 0.450 524 D N -0.469 119.883 120.400 -0.081 0.000 2.149 524 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 524 D C 1.882 178.142 176.300 -0.067 0.000 0.990 524 D CA 1.069 55.024 54.000 -0.075 0.000 0.839 524 D CB -0.245 40.501 40.800 -0.090 0.000 0.948 524 D HN 0.467 nan 8.370 nan 0.000 0.460 525 L N -0.052 121.134 121.223 -0.060 0.000 2.005 525 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 525 L C 2.400 179.253 176.870 -0.029 0.000 1.072 525 L CA 0.734 55.553 54.840 -0.034 0.000 0.744 525 L CB -0.298 41.761 42.059 0.002 0.000 0.895 525 L HN 0.048 nan 8.230 nan 0.000 0.433 526 I N 0.048 120.585 120.570 -0.055 0.000 2.118 526 I HA -0.335 3.835 4.170 -0.000 0.000 0.241 526 I C 2.487 178.563 176.117 -0.068 0.000 1.070 526 I CA 1.664 62.914 61.300 -0.084 0.000 1.327 526 I CB -0.360 37.512 38.000 -0.214 0.000 1.034 526 I HN 0.340 nan 8.210 nan 0.000 0.405 527 R N 0.293 120.741 120.500 -0.088 0.000 2.325 527 R HA 0.034 4.374 4.340 -0.000 0.000 0.214 527 R C 1.278 177.570 176.300 -0.013 0.000 0.961 527 R CA 0.713 56.788 56.100 -0.043 0.000 1.086 527 R CB -0.167 30.102 30.300 -0.053 0.000 1.037 527 R HN 0.123 nan 8.270 nan 0.000 0.493 528 S N 0.141 115.833 115.700 -0.013 0.000 2.583 528 S HA 0.364 4.834 4.470 -0.000 0.000 0.239 528 S C -0.032 174.575 174.600 0.012 0.000 0.966 528 S CA -0.190 58.007 58.200 -0.005 0.000 0.973 528 S CB 0.349 63.538 63.200 -0.017 0.000 0.794 528 S HN 0.472 nan 8.310 nan 0.000 0.463 529 A N 2.452 125.289 122.820 0.028 0.000 2.763 529 A HA 0.691 5.010 4.320 -0.000 0.000 0.325 529 A C 0.017 177.636 177.584 0.059 0.000 1.209 529 A CA -0.916 51.148 52.037 0.045 0.000 0.764 529 A CB 0.444 19.479 19.000 0.058 0.000 1.120 529 A HN 0.644 nan 8.150 nan 0.000 0.463 530 R N 0.000 120.527 120.500 0.044 0.000 2.786 530 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 530 R CA 0.000 56.118 56.100 0.029 0.000 0.921 530 R CB 0.000 30.315 30.300 0.024 0.000 0.687 530 R HN 0.000 nan 8.270 nan 0.000 0.535