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 1wza_1_A DATA FIRST_RESID 28 DATA SEQUENCE FEKHGTYYEI FVRSFYDSDG DGIGDLKGII EKLDYLNDGD PETIADLGVN DATA SEQUENCE GIWLMPIFKS PSYHGYDVTD YYKINPDYGT LEDFHKLVEA AHQRGIKVII DATA SEQUENCE DLPINHTSER HPWFLKASRD KNSEYRDYYV WAGPDTDTKE TKLDGGRVWH DATA SEQUENCE YSPTGMYYGY FWSGMPDLNY NNPEVQEKVI GIAKYWLKQG VDGFRLDGAM DATA SEQUENCE HIFPPAQYDK NFTWWEKFRQ EIEEVKPVYL VGEVWDISET VAPYFKYGFD DATA SEQUENCE STFNFKLAEA VIATAKAGFP FGFNKKAKHI YGVYDREVGF GNYIDAPFLT DATA SEQUENCE NHDQNRILDQ LGQDRNKARV AASIYLTLPG NPFIYYGEEI GMRGQGPHEV DATA SEQUENCE IREPFQWYNG SGEGETYWEP AMYNDGFTSV EQEEKNLDSL LNHYRRLIHF DATA SEQUENCE RNENPVFYTG KIEIINGGLN VVAFRRYNDK RDLYVYHNLV NRPVKIKVAS DATA SEQUENCE GNWTLLFNSG DKEITPVEDN NKLMYTIPAY TTIVLEKE 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 28 F HA 0.000 nan 4.527 nan 0.000 0.279 28 F C 0.000 175.757 175.800 -0.072 0.000 0.967 28 F CA 0.000 57.960 58.000 -0.067 0.000 1.383 28 F CB 0.000 38.969 39.000 -0.051 0.000 1.145 29 E N 5.146 125.100 120.200 -0.410 0.000 2.166 29 E HA 0.220 4.570 4.350 -0.001 0.000 0.279 29 E C 0.151 176.393 176.600 -0.596 0.000 1.095 29 E CA 0.219 56.395 56.400 -0.373 0.000 0.888 29 E CB 1.021 30.546 29.700 -0.292 0.000 1.041 29 E HN 0.639 nan 8.360 nan 0.000 0.414 30 K N 3.116 123.229 120.400 -0.479 0.000 2.400 30 K HA 0.057 4.377 4.320 -0.001 0.000 0.194 30 K C 0.037 176.283 176.600 -0.589 0.000 1.033 30 K CA 0.053 56.017 56.287 -0.538 0.000 1.021 30 K CB 0.146 32.483 32.500 -0.272 0.000 0.808 30 K HN 0.566 nan 8.250 nan 0.000 0.505 31 H N 0.433 119.300 119.070 -0.337 0.000 2.610 31 H HA 0.372 4.927 4.556 -0.001 0.000 0.336 31 H C 0.562 175.547 175.328 -0.571 0.000 1.087 31 H CA 0.398 56.218 56.048 -0.379 0.000 1.405 31 H CB 1.447 30.958 29.762 -0.419 0.000 1.460 31 H HN 0.273 nan 8.280 nan 0.000 0.538 32 G N 1.303 109.903 108.800 -0.332 0.000 2.355 32 G HA2 0.101 4.060 3.960 -0.001 0.000 0.296 32 G HA3 0.101 4.060 3.960 -0.001 0.000 0.296 32 G C -1.148 173.832 174.900 0.133 0.000 1.507 32 G CA -0.883 44.042 45.100 -0.292 0.000 0.823 32 G HN 0.448 nan 8.290 nan 0.000 0.569 33 T N 1.234 115.859 114.554 0.119 0.000 2.771 33 T HA 0.554 4.904 4.350 -0.001 0.000 0.291 33 T C -0.812 173.849 174.700 -0.065 0.000 0.954 33 T CA 0.273 62.452 62.100 0.132 0.000 1.045 33 T CB 0.567 69.501 68.868 0.111 0.000 0.917 33 T HN 0.310 nan 8.240 nan 0.000 0.484 34 Y N 1.584 121.725 120.300 -0.265 0.000 2.419 34 Y HA 0.505 5.054 4.550 -0.001 0.000 0.328 34 Y C -0.390 175.506 175.900 -0.006 0.000 1.162 34 Y CA -1.149 56.754 58.100 -0.329 0.000 1.174 34 Y CB 1.212 39.053 38.460 -1.032 0.000 1.228 34 Y HN 0.616 nan 8.280 nan 0.000 0.473 35 Y N 2.026 122.389 120.300 0.105 0.000 2.326 35 Y HA 0.295 4.845 4.550 -0.001 0.000 0.329 35 Y C -0.523 175.493 175.900 0.194 0.000 0.973 35 Y CA -1.039 57.148 58.100 0.145 0.000 1.162 35 Y CB 1.082 39.557 38.460 0.025 0.000 1.147 35 Y HN 0.618 nan 8.280 nan 0.000 0.456 36 E N 7.051 127.234 120.200 -0.028 0.000 2.194 36 E HA 0.377 4.727 4.350 -0.001 0.000 0.284 36 E C -1.204 175.197 176.600 -0.332 0.000 1.035 36 E CA -0.280 56.015 56.400 -0.176 0.000 0.836 36 E CB 0.575 30.110 29.700 -0.275 0.000 1.070 36 E HN 0.695 nan 8.360 nan 0.000 0.401 37 I N 4.926 125.292 120.570 -0.341 0.000 2.378 37 I HA 0.210 4.380 4.170 -0.001 0.000 0.291 37 I C -0.627 175.282 176.117 -0.347 0.000 0.992 37 I CA -0.983 60.081 61.300 -0.393 0.000 1.154 37 I CB 1.096 38.827 38.000 -0.449 0.000 1.315 37 I HN 0.527 nan 8.210 nan 0.000 0.448 38 F N 7.488 127.062 119.950 -0.627 0.000 2.335 38 F HA 0.322 4.848 4.527 -0.001 0.000 0.365 38 F C 0.819 176.328 175.800 -0.485 0.000 1.122 38 F CA -0.593 57.130 58.000 -0.461 0.000 1.151 38 F CB 0.676 39.506 39.000 -0.283 0.000 1.282 38 F HN 0.257 nan 8.300 nan 0.000 0.513 39 V N 6.270 125.793 119.914 -0.651 0.000 2.278 39 V HA -0.348 3.772 4.120 -0.001 0.000 0.251 39 V C 2.670 178.260 176.094 -0.841 0.000 1.062 39 V CA 2.536 64.350 62.300 -0.810 0.000 1.038 39 V CB -0.779 30.307 31.823 -1.228 0.000 0.646 39 V HN 0.802 nan 8.190 nan 0.000 0.447 40 R N -0.179 119.595 120.500 -1.210 0.000 2.159 40 R HA -0.145 4.195 4.340 -0.001 0.000 0.237 40 R C 1.874 177.851 176.300 -0.537 0.000 1.131 40 R CA 1.760 57.328 56.100 -0.888 0.000 0.982 40 R CB -0.118 29.379 30.300 -1.338 0.000 0.868 40 R HN 0.515 nan 8.270 nan 0.000 0.453 41 S N -0.618 114.810 115.700 -0.453 0.000 2.554 41 S HA 0.102 4.572 4.470 -0.001 0.000 0.226 41 S C 0.332 175.043 174.600 0.186 0.000 0.980 41 S CA -0.516 57.777 58.200 0.154 0.000 0.939 41 S CB 0.152 63.639 63.200 0.479 0.000 0.832 41 S HN 0.225 nan 8.310 nan 0.000 0.486 42 F N 1.159 121.044 119.950 -0.108 0.000 2.140 42 F HA 0.392 4.918 4.527 -0.001 0.000 0.278 42 F C 0.134 176.193 175.800 0.431 0.000 1.121 42 F CA 0.272 58.308 58.000 0.060 0.000 1.139 42 F CB 0.165 39.111 39.000 -0.090 0.000 1.062 42 F HN 0.139 nan 8.300 nan 0.000 0.501 43 Y N 0.414 120.806 120.300 0.154 0.000 2.396 43 Y HA 0.286 4.836 4.550 -0.001 0.000 0.332 43 Y C -1.403 174.503 175.900 0.010 0.000 1.034 43 Y CA -1.716 56.386 58.100 0.003 0.000 1.057 43 Y CB 0.940 39.271 38.460 -0.216 0.000 1.220 43 Y HN 0.116 nan 8.280 nan 0.000 0.440 44 D N 2.520 122.691 120.400 -0.382 0.000 2.396 44 D HA 0.174 4.814 4.640 -0.001 0.000 0.225 44 D C 0.557 176.689 176.300 -0.279 0.000 1.121 44 D CA 0.115 53.968 54.000 -0.244 0.000 0.853 44 D CB 1.229 41.901 40.800 -0.214 0.000 1.043 44 D HN 0.494 nan 8.370 nan 0.000 0.500 45 S N 2.364 118.029 115.700 -0.058 0.000 2.496 45 S HA -0.102 4.368 4.470 -0.001 0.000 0.224 45 S C 0.779 175.382 174.600 0.006 0.000 0.996 45 S CA 0.440 58.653 58.200 0.021 0.000 0.927 45 S CB -0.056 63.204 63.200 0.100 0.000 0.774 45 S HN 0.519 nan 8.310 nan 0.000 0.524 46 D N -0.504 119.891 120.400 -0.007 0.000 2.479 46 D HA 0.358 4.997 4.640 -0.001 0.000 0.218 46 D C 1.115 177.420 176.300 0.008 0.000 1.177 46 D CA 0.167 54.172 54.000 0.008 0.000 0.830 46 D CB -0.304 40.509 40.800 0.021 0.000 1.014 46 D HN 0.444 nan 8.370 nan 0.000 0.503 47 G N 1.872 110.669 108.800 -0.005 0.000 2.160 47 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.244 47 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.244 47 G C 0.360 175.296 174.900 0.059 0.000 1.022 47 G CA 0.426 45.549 45.100 0.039 0.000 0.741 47 G HN 0.534 nan 8.290 nan 0.000 0.508 48 D N -1.183 119.206 120.400 -0.019 0.000 2.398 48 D HA 0.388 5.028 4.640 -0.001 0.000 0.210 48 D C 1.776 177.941 176.300 -0.226 0.000 1.094 48 D CA 0.550 54.534 54.000 -0.027 0.000 0.839 48 D CB -0.392 40.400 40.800 -0.013 0.000 0.963 48 D HN 1.472 nan 8.370 nan 0.000 0.506 49 G N 0.364 108.845 108.800 -0.531 0.000 2.205 49 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.261 49 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.261 49 G C -0.044 174.586 174.900 -0.449 0.000 0.980 49 G CA 0.327 44.675 45.100 -1.253 0.000 0.632 49 G HN 0.348 nan 8.290 nan 0.000 0.533 50 I N 2.098 122.549 120.570 -0.198 0.000 2.336 50 I HA 0.517 4.687 4.170 -0.001 0.000 0.292 50 I C 1.352 177.439 176.117 -0.050 0.000 0.991 50 I CA -0.736 60.525 61.300 -0.064 0.000 1.227 50 I CB 0.544 38.520 38.000 -0.040 0.000 1.366 50 I HN 0.150 nan 8.210 nan 0.000 0.466 51 G N 5.103 113.871 108.800 -0.054 0.000 2.491 51 G HA2 0.356 4.315 3.960 -0.001 0.000 0.238 51 G HA3 0.356 4.315 3.960 -0.001 0.000 0.238 51 G C -0.431 174.438 174.900 -0.052 0.000 1.277 51 G CA -0.122 44.946 45.100 -0.053 0.000 0.851 51 G HN 0.788 nan 8.290 nan 0.000 0.573 52 D N -0.117 120.279 120.400 -0.007 0.000 2.610 52 D HA 0.291 4.931 4.640 -0.001 0.000 0.271 52 D C 1.181 177.496 176.300 0.025 0.000 1.174 52 D CA -0.951 53.063 54.000 0.024 0.000 0.949 52 D CB 0.727 41.576 40.800 0.081 0.000 1.430 52 D HN 0.183 nan 8.370 nan 0.000 0.467 53 L N -0.406 120.850 121.223 0.054 0.000 2.046 53 L HA -0.067 4.273 4.340 -0.001 0.000 0.208 53 L C 2.141 179.054 176.870 0.072 0.000 1.077 53 L CA 1.099 55.977 54.840 0.063 0.000 0.747 53 L CB -0.476 41.663 42.059 0.133 0.000 0.896 53 L HN 0.408 nan 8.230 nan 0.000 0.432 54 K N 0.097 120.549 120.400 0.086 0.000 2.209 54 K HA -0.095 4.224 4.320 -0.001 0.000 0.204 54 K C 2.142 178.802 176.600 0.100 0.000 1.048 54 K CA 1.079 57.414 56.287 0.079 0.000 0.940 54 K CB -0.377 32.170 32.500 0.079 0.000 0.729 54 K HN 0.406 nan 8.250 nan 0.000 0.451 55 G N 1.541 110.431 108.800 0.150 0.000 2.418 55 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.217 55 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.217 55 G C 1.484 176.508 174.900 0.206 0.000 1.158 55 G CA 0.544 45.817 45.100 0.289 0.000 0.771 55 G HN 0.134 nan 8.290 nan 0.000 0.545 56 I N 0.606 121.289 120.570 0.187 0.000 2.226 56 I HA -0.145 4.024 4.170 -0.001 0.000 0.245 56 I C 2.650 178.799 176.117 0.054 0.000 1.100 56 I CA 0.766 62.170 61.300 0.173 0.000 1.374 56 I CB -0.223 37.794 38.000 0.028 0.000 1.057 56 I HN 0.156 nan 8.210 nan 0.000 0.413 57 I N 0.754 121.333 120.570 0.016 0.000 2.163 57 I HA -0.299 3.871 4.170 -0.001 0.000 0.243 57 I C 2.394 178.482 176.117 -0.048 0.000 1.085 57 I CA 1.617 62.906 61.300 -0.020 0.000 1.347 57 I CB -0.498 37.496 38.000 -0.010 0.000 1.044 57 I HN 0.269 nan 8.210 nan 0.000 0.408 58 E N 0.592 120.750 120.200 -0.070 0.000 2.204 58 E HA -0.183 4.167 4.350 -0.001 0.000 0.195 58 E C 1.399 177.824 176.600 -0.291 0.000 0.990 58 E CA 0.790 57.092 56.400 -0.163 0.000 0.821 58 E CB 0.054 29.654 29.700 -0.167 0.000 0.750 58 E HN 0.297 nan 8.360 nan 0.000 0.477 59 K N 0.369 120.589 120.400 -0.299 0.000 2.399 59 K HA 0.170 4.490 4.320 -0.001 0.000 0.204 59 K C 1.625 178.235 176.600 0.016 0.000 1.023 59 K CA -0.090 56.031 56.287 -0.276 0.000 1.127 59 K CB 0.393 32.605 32.500 -0.481 0.000 0.856 59 K HN 0.151 nan 8.250 nan 0.000 0.514 60 L N 0.825 122.047 121.223 -0.002 0.000 2.081 60 L HA -0.243 4.097 4.340 -0.001 0.000 0.212 60 L C 1.286 178.168 176.870 0.021 0.000 1.080 60 L CA 1.349 56.195 54.840 0.011 0.000 0.754 60 L CB -0.200 41.840 42.059 -0.031 0.000 0.893 60 L HN 0.117 nan 8.230 nan 0.000 0.433 61 D N -1.316 119.095 120.400 0.018 0.000 2.263 61 D HA -0.228 4.412 4.640 -0.001 0.000 0.208 61 D C 1.755 178.099 176.300 0.074 0.000 0.971 61 D CA 0.889 54.906 54.000 0.027 0.000 0.867 61 D CB -0.067 40.743 40.800 0.018 0.000 0.929 61 D HN 0.393 nan 8.370 nan 0.000 0.492 62 Y N 0.846 121.147 120.300 0.002 0.000 2.314 62 Y HA -0.066 4.484 4.550 -0.001 0.000 0.293 62 Y C 1.870 177.769 175.900 -0.002 0.000 1.129 62 Y CA 1.170 59.302 58.100 0.054 0.000 1.201 62 Y CB -0.107 38.456 38.460 0.172 0.000 0.999 62 Y HN -0.076 nan 8.280 nan 0.000 0.541 63 L N -0.416 120.768 121.223 -0.066 0.000 2.102 63 L HA 0.005 4.345 4.340 -0.001 0.000 0.202 63 L C 0.290 177.043 176.870 -0.196 0.000 1.076 63 L CA 0.856 55.543 54.840 -0.255 0.000 0.761 63 L CB -0.161 41.761 42.059 -0.228 0.000 0.921 63 L HN 0.125 nan 8.230 nan 0.000 0.444 64 N N -0.182 118.449 118.700 -0.115 0.000 2.537 64 N HA 0.014 4.754 4.740 -0.001 0.000 0.281 64 N C -1.129 174.352 175.510 -0.050 0.000 1.097 64 N CA -0.205 52.789 53.050 -0.092 0.000 0.964 64 N CB 1.551 39.964 38.487 -0.123 0.000 1.588 64 N HN 0.057 nan 8.380 nan 0.000 0.511 65 D N 2.019 122.407 120.400 -0.020 0.000 2.328 65 D HA 0.188 4.827 4.640 -0.001 0.000 0.226 65 D C 1.178 177.471 176.300 -0.012 0.000 1.066 65 D CA 0.663 54.658 54.000 -0.008 0.000 0.861 65 D CB -0.311 40.495 40.800 0.010 0.000 0.912 65 D HN 0.823 nan 8.370 nan 0.000 0.521 66 G N 0.356 109.142 108.800 -0.024 0.000 2.184 66 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.264 66 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.264 66 G C -0.238 174.653 174.900 -0.015 0.000 0.975 66 G CA 0.272 45.356 45.100 -0.027 0.000 0.642 66 G HN 0.560 nan 8.290 nan 0.000 0.536 67 D N 0.319 120.720 120.400 0.002 0.000 2.446 67 D HA 0.424 5.064 4.640 -0.001 0.000 0.251 67 D C -0.593 175.728 176.300 0.035 0.000 1.137 67 D CA -1.726 52.282 54.000 0.013 0.000 0.890 67 D CB 1.557 42.366 40.800 0.016 0.000 1.071 67 D HN 0.121 nan 8.370 nan 0.000 0.528 68 P HA -0.115 nan 4.420 nan 0.000 0.229 68 P C 0.645 177.996 177.300 0.085 0.000 1.150 68 P CA 0.645 63.776 63.100 0.052 0.000 0.765 68 P CB 0.675 32.383 31.700 0.013 0.000 0.783 69 E N 0.061 120.295 120.200 0.055 0.000 2.299 69 E HA -0.000 4.349 4.350 -0.001 0.000 0.193 69 E C 1.307 177.928 176.600 0.035 0.000 0.998 69 E CA 0.691 57.118 56.400 0.045 0.000 0.851 69 E CB -0.404 29.312 29.700 0.027 0.000 0.795 69 E HN 0.411 nan 8.360 nan 0.000 0.492 70 T N -0.669 113.908 114.554 0.038 0.000 2.943 70 T HA 0.431 4.780 4.350 -0.001 0.000 0.284 70 T C 0.798 175.458 174.700 -0.067 0.000 1.015 70 T CA -0.885 61.213 62.100 -0.002 0.000 1.042 70 T CB 1.320 70.193 68.868 0.009 0.000 1.055 70 T HN 0.032 nan 8.240 nan 0.000 0.500 71 I N -0.742 119.715 120.570 -0.188 0.000 3.326 71 I HA 0.522 4.691 4.170 -0.001 0.000 0.336 71 I C 0.903 176.896 176.117 -0.207 0.000 1.543 71 I CA -0.840 60.165 61.300 -0.491 0.000 1.013 71 I CB -0.596 37.063 38.000 -0.568 0.000 1.468 71 I HN 0.757 nan 8.210 nan 0.000 0.515 72 A N 1.182 123.959 122.820 -0.071 0.000 2.123 72 A HA 0.080 4.399 4.320 -0.001 0.000 0.214 72 A C 0.733 178.322 177.584 0.007 0.000 1.152 72 A CA 0.767 52.797 52.037 -0.011 0.000 0.728 72 A CB -0.258 18.750 19.000 0.013 0.000 0.814 72 A HN 0.695 nan 8.150 nan 0.000 0.464 73 D N -1.651 118.763 120.400 0.024 0.000 2.449 73 D HA 0.370 5.010 4.640 -0.001 0.000 0.250 73 D C 0.879 177.204 176.300 0.041 0.000 1.050 73 D CA -0.723 53.270 54.000 -0.012 0.000 1.024 73 D CB 0.640 41.444 40.800 0.007 0.000 1.218 73 D HN 0.016 nan 8.370 nan 0.000 0.566 74 L N -0.374 120.757 121.223 -0.153 0.000 2.056 74 L HA 0.064 4.403 4.340 -0.001 0.000 0.207 74 L C 1.747 178.602 176.870 -0.026 0.000 1.078 74 L CA 1.471 56.254 54.840 -0.095 0.000 0.749 74 L CB -0.685 41.217 42.059 -0.262 0.000 0.901 74 L HN 0.893 nan 8.230 nan 0.000 0.433 75 G N -0.061 108.649 108.800 -0.151 0.000 2.144 75 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.218 75 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.218 75 G C 0.304 175.039 174.900 -0.275 0.000 0.988 75 G CA 0.073 44.944 45.100 -0.382 0.000 0.659 75 G HN 0.253 nan 8.290 nan 0.000 0.522 76 V N -1.894 117.899 119.914 -0.201 0.000 2.843 76 V HA 0.585 4.705 4.120 -0.001 0.000 0.305 76 V C 0.859 176.809 176.094 -0.240 0.000 1.065 76 V CA 0.611 62.804 62.300 -0.179 0.000 1.116 76 V CB 1.294 33.039 31.823 -0.130 0.000 0.968 76 V HN 0.179 nan 8.190 nan 0.000 0.487 77 N N 2.156 120.672 118.700 -0.305 0.000 2.214 77 N HA 0.512 5.251 4.740 -0.001 0.000 0.214 77 N C 0.151 175.330 175.510 -0.551 0.000 1.132 77 N CA 0.568 53.400 53.050 -0.362 0.000 0.856 77 N CB 0.944 39.230 38.487 -0.335 0.000 1.020 77 N HN 1.154 nan 8.380 nan 0.000 0.509 78 G N 0.602 108.962 108.800 -0.733 0.000 2.732 78 G HA2 0.492 4.451 3.960 -0.001 0.000 0.296 78 G HA3 0.492 4.451 3.960 -0.001 0.000 0.296 78 G C -1.696 172.874 174.900 -0.551 0.000 1.448 78 G CA -0.551 43.910 45.100 -1.065 0.000 0.911 78 G HN 0.044 nan 8.290 nan 0.000 0.528 79 I N -1.678 118.828 120.570 -0.108 0.000 2.647 79 I HA 0.814 4.984 4.170 -0.001 0.000 0.295 79 I C -1.889 174.495 176.117 0.445 0.000 1.078 79 I CA -1.569 59.838 61.300 0.177 0.000 1.048 79 I CB 2.077 40.110 38.000 0.055 0.000 1.239 79 I HN 0.624 nan 8.210 nan 0.000 0.421 80 W N 7.837 129.319 121.300 0.303 0.000 2.471 80 W HA 0.688 5.348 4.660 -0.001 0.000 0.318 80 W C -2.043 174.561 176.519 0.142 0.000 1.034 80 W CA -1.781 55.742 57.345 0.298 0.000 1.224 80 W CB 0.962 30.690 29.460 0.446 0.000 1.335 80 W HN 0.516 nan 8.180 nan 0.000 0.452 81 L N 7.851 129.277 121.223 0.339 0.000 2.275 81 L HA 0.359 4.699 4.340 -0.001 0.000 0.288 81 L C 0.890 177.761 176.870 0.002 0.000 1.046 81 L CA -0.841 54.010 54.840 0.018 0.000 0.805 81 L CB 0.944 43.012 42.059 0.015 0.000 1.193 81 L HN 0.406 nan 8.230 nan 0.000 0.426 82 M N 3.589 123.056 119.600 -0.222 0.000 2.219 82 M HA 0.141 4.621 4.480 -0.001 0.000 0.307 82 M C -1.969 174.221 176.300 -0.183 0.000 1.116 82 M CA -1.214 53.984 55.300 -0.170 0.000 1.181 82 M CB -0.073 32.418 32.600 -0.181 0.000 1.410 82 M HN 0.281 nan 8.290 nan 0.000 0.454 83 P HA -0.166 nan 4.420 nan 0.000 0.255 83 P C 0.011 177.139 177.300 -0.287 0.000 1.141 83 P CA 0.779 63.627 63.100 -0.421 0.000 0.767 83 P CB -0.209 31.156 31.700 -0.559 0.000 0.726 84 I N -0.097 120.163 120.570 -0.517 0.000 4.025 84 I HA 0.246 4.415 4.170 -0.001 0.000 0.336 84 I C -0.245 175.727 176.117 -0.242 0.000 1.390 84 I CA -0.010 61.145 61.300 -0.242 0.000 1.099 84 I CB -0.715 37.128 38.000 -0.262 0.000 1.049 84 I HN -0.099 nan 8.210 nan 0.000 0.394 85 F N 2.257 122.119 119.950 -0.146 0.000 2.368 85 F HA 0.436 4.962 4.527 -0.001 0.000 0.315 85 F C 1.170 176.866 175.800 -0.173 0.000 1.145 85 F CA -1.289 56.614 58.000 -0.161 0.000 1.095 85 F CB 0.255 39.138 39.000 -0.195 0.000 1.286 85 F HN -0.090 nan 8.300 nan 0.000 0.530 86 K N 0.962 121.398 120.400 0.060 0.000 2.489 86 K HA 0.274 4.594 4.320 -0.001 0.000 0.278 86 K C -0.372 176.165 176.600 -0.105 0.000 1.000 86 K CA 0.395 56.642 56.287 -0.066 0.000 1.012 86 K CB 0.248 32.697 32.500 -0.086 0.000 0.903 86 K HN 0.727 nan 8.250 nan 0.000 0.485 87 S N 3.474 119.097 115.700 -0.129 0.000 2.565 87 S HA 0.363 4.832 4.470 -0.001 0.000 0.274 87 S C -2.407 172.124 174.600 -0.114 0.000 1.144 87 S CA -1.057 57.072 58.200 -0.118 0.000 0.849 87 S CB 1.617 64.740 63.200 -0.129 0.000 1.103 87 S HN 0.645 nan 8.310 nan 0.000 0.455 88 P HA 0.148 nan 4.420 nan 0.000 0.240 88 P C 0.472 177.745 177.300 -0.044 0.000 1.190 88 P CA 0.183 63.258 63.100 -0.041 0.000 0.781 88 P CB -0.003 31.702 31.700 0.008 0.000 0.931 89 S N -0.073 115.556 115.700 -0.119 0.000 2.713 89 S HA 0.208 4.677 4.470 -0.001 0.000 0.283 89 S C 1.167 175.646 174.600 -0.202 0.000 1.161 89 S CA -0.628 57.463 58.200 -0.181 0.000 0.999 89 S CB 0.302 63.184 63.200 -0.531 0.000 1.039 89 S HN 0.134 nan 8.310 nan 0.000 0.548 90 Y N 0.569 120.765 120.300 -0.174 0.000 2.457 90 Y HA 0.064 4.613 4.550 -0.002 0.000 0.292 90 Y C 1.881 177.815 175.900 0.058 0.000 1.125 90 Y CA 1.449 59.493 58.100 -0.093 0.000 1.254 90 Y CB -1.227 37.229 38.460 -0.008 0.000 1.012 90 Y HN 0.950 nan 8.280 nan 0.000 0.555 91 H N -2.125 116.523 119.070 -0.703 0.000 2.486 91 H HA 0.415 4.970 4.556 -0.001 0.000 0.287 91 H C 2.002 177.186 175.328 -0.240 0.000 1.010 91 H CA 0.236 55.971 56.048 -0.522 0.000 1.324 91 H CB -0.366 29.046 29.762 -0.582 0.000 1.446 91 H HN 0.267 nan 8.280 nan 0.000 0.537 92 G N -0.140 108.457 108.800 -0.339 0.000 2.179 92 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.260 92 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.260 92 G C 0.478 175.321 174.900 -0.095 0.000 0.977 92 G CA 0.474 45.451 45.100 -0.205 0.000 0.641 92 G HN 0.500 nan 8.290 nan 0.000 0.533 93 Y N 1.817 122.332 120.300 0.358 0.000 2.616 93 Y HA 0.153 4.702 4.550 -0.001 0.000 0.296 93 Y C 1.294 177.413 175.900 0.365 0.000 1.154 93 Y CA 1.026 59.325 58.100 0.332 0.000 1.325 93 Y CB 0.337 38.968 38.460 0.284 0.000 1.007 93 Y HN 0.489 nan 8.280 nan 0.000 0.542 94 D N -0.332 120.299 120.400 0.385 0.000 2.472 94 D HA 0.236 4.876 4.640 -0.001 0.000 0.234 94 D C -0.561 175.810 176.300 0.118 0.000 1.088 94 D CA -0.254 53.930 54.000 0.307 0.000 0.882 94 D CB 0.826 41.821 40.800 0.324 0.000 1.037 94 D HN -0.185 nan 8.370 nan 0.000 0.520 95 V N 2.323 122.277 119.914 0.067 0.000 2.583 95 V HA 0.230 4.349 4.120 -0.001 0.000 0.287 95 V C 1.673 177.666 176.094 -0.169 0.000 1.051 95 V CA 0.010 62.225 62.300 -0.142 0.000 1.010 95 V CB 1.223 32.771 31.823 -0.457 0.000 0.988 95 V HN 0.748 nan 8.190 nan 0.000 0.478 96 T N -1.362 113.047 114.554 -0.242 0.000 3.001 96 T HA 0.185 4.535 4.350 -0.001 0.000 0.251 96 T C 0.194 174.499 174.700 -0.658 0.000 1.040 96 T CA 0.085 61.975 62.100 -0.351 0.000 0.985 96 T CB 0.286 69.009 68.868 -0.241 0.000 1.011 96 T HN 0.579 nan 8.240 nan 0.000 0.509 97 D N -0.199 119.897 120.400 -0.507 0.000 2.452 97 D HA 0.214 4.854 4.640 -0.001 0.000 0.226 97 D C -0.653 175.417 176.300 -0.383 0.000 1.366 97 D CA -0.620 53.126 54.000 -0.423 0.000 0.986 97 D CB 0.717 41.371 40.800 -0.243 0.000 1.420 97 D HN 0.021 nan 8.370 nan 0.000 0.583 98 Y N 1.568 121.679 120.300 -0.315 0.000 2.571 98 Y HA -0.012 4.537 4.550 -0.001 0.000 0.294 98 Y C 1.048 176.573 175.900 -0.625 0.000 1.141 98 Y CA 0.798 58.487 58.100 -0.685 0.000 1.308 98 Y CB 0.057 38.146 38.460 -0.618 0.000 1.002 98 Y HN 0.463 nan 8.280 nan 0.000 0.551 99 Y N -0.569 119.698 120.300 -0.055 0.000 2.555 99 Y HA 0.266 4.815 4.550 -0.001 0.000 0.259 99 Y C 0.409 176.360 175.900 0.084 0.000 1.179 99 Y CA -0.534 57.511 58.100 -0.091 0.000 1.230 99 Y CB 0.463 38.733 38.460 -0.316 0.000 1.146 99 Y HN -0.261 nan 8.280 nan 0.000 0.526 100 K N 0.678 121.234 120.400 0.259 0.000 2.443 100 K HA 0.411 4.731 4.320 -0.001 0.000 0.252 100 K C -1.140 175.643 176.600 0.305 0.000 0.933 100 K CA -0.423 56.016 56.287 0.254 0.000 0.792 100 K CB 0.893 33.456 32.500 0.105 0.000 1.185 100 K HN -0.116 nan 8.250 nan 0.000 0.425 101 I N 3.439 124.200 120.570 0.319 0.000 2.529 101 I HA 0.071 4.240 4.170 -0.001 0.000 0.284 101 I C 0.505 176.688 176.117 0.109 0.000 1.082 101 I CA -0.300 61.142 61.300 0.236 0.000 1.406 101 I CB 0.656 38.801 38.000 0.242 0.000 1.405 101 I HN 0.743 nan 8.210 nan 0.000 0.548 102 N N 8.905 127.617 118.700 0.021 0.000 2.411 102 N HA -0.012 4.727 4.740 -0.001 0.000 0.265 102 N C -1.776 173.662 175.510 -0.119 0.000 1.266 102 N CA -1.020 51.946 53.050 -0.141 0.000 0.889 102 N CB 1.046 39.280 38.487 -0.421 0.000 1.069 102 N HN 0.273 nan 8.380 nan 0.000 0.476 103 P HA -0.112 nan 4.420 nan 0.000 0.217 103 P C 0.437 177.696 177.300 -0.069 0.000 1.148 103 P CA 1.060 64.134 63.100 -0.044 0.000 0.828 103 P CB 0.304 31.980 31.700 -0.040 0.000 0.783 104 D N -2.207 118.078 120.400 -0.192 0.000 2.182 104 D HA -0.164 4.475 4.640 -0.001 0.000 0.201 104 D C 1.106 177.387 176.300 -0.032 0.000 0.986 104 D CA 1.239 55.116 54.000 -0.206 0.000 0.847 104 D CB -0.514 40.025 40.800 -0.435 0.000 0.942 104 D HN 0.293 nan 8.370 nan 0.000 0.467 105 Y N -0.588 119.675 120.300 -0.062 0.000 2.457 105 Y HA 0.435 4.985 4.550 -0.000 0.000 0.263 105 Y C 1.667 177.572 175.900 0.008 0.000 1.164 105 Y CA 0.065 58.134 58.100 -0.052 0.000 1.274 105 Y CB 0.339 38.753 38.460 -0.076 0.000 1.097 105 Y HN -0.034 nan 8.280 nan 0.000 0.523 106 G N 0.009 108.906 108.800 0.163 0.000 2.295 106 G HA2 0.078 4.037 3.960 -0.001 0.000 0.195 106 G HA3 0.078 4.037 3.960 -0.001 0.000 0.195 106 G C -0.373 174.616 174.900 0.149 0.000 1.269 106 G CA -0.458 44.727 45.100 0.142 0.000 1.170 106 G HN 0.351 nan 8.290 nan 0.000 0.511 107 T N -2.224 112.435 114.554 0.175 0.000 2.888 107 T HA 0.637 4.986 4.350 -0.001 0.000 0.288 107 T C 1.235 176.104 174.700 0.283 0.000 1.063 107 T CA 0.358 62.574 62.100 0.193 0.000 1.010 107 T CB 1.761 70.718 68.868 0.149 0.000 1.214 107 T HN 1.608 nan 8.240 nan 0.000 0.533 108 L N 0.585 121.988 121.223 0.302 0.000 2.083 108 L HA 0.121 4.460 4.340 -0.001 0.000 0.209 108 L C 2.569 179.705 176.870 0.442 0.000 1.083 108 L CA 2.066 57.164 54.840 0.431 0.000 0.752 108 L CB -0.985 41.290 42.059 0.360 0.000 0.899 108 L HN 0.962 nan 8.230 nan 0.000 0.433 109 E N -0.803 119.549 120.200 0.253 0.000 2.077 109 E HA -0.245 4.104 4.350 -0.001 0.000 0.193 109 E C 1.585 178.325 176.600 0.233 0.000 0.989 109 E CA 1.448 57.959 56.400 0.185 0.000 0.800 109 E CB -0.018 29.744 29.700 0.103 0.000 0.746 109 E HN 0.545 nan 8.360 nan 0.000 0.452 110 D N 0.111 120.647 120.400 0.227 0.000 2.117 110 D HA -0.174 4.465 4.640 -0.001 0.000 0.197 110 D C 1.656 178.091 176.300 0.225 0.000 0.987 110 D CA 0.801 54.916 54.000 0.192 0.000 0.829 110 D CB -0.484 40.422 40.800 0.178 0.000 0.961 110 D HN 0.222 nan 8.370 nan 0.000 0.460 111 F N 1.206 121.271 119.950 0.192 0.000 2.126 111 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 111 F C 2.292 178.168 175.800 0.127 0.000 1.096 111 F CA 1.651 59.755 58.000 0.173 0.000 1.255 111 F CB -0.343 38.824 39.000 0.279 0.000 0.997 111 F HN 0.005 nan 8.300 nan 0.000 0.479 112 H N 0.013 119.167 119.070 0.140 0.000 2.353 112 H HA -0.082 4.474 4.556 -0.001 0.000 0.300 112 H C 2.172 177.453 175.328 -0.078 0.000 1.090 112 H CA 1.956 58.012 56.048 0.013 0.000 1.327 112 H CB -0.215 29.608 29.762 0.102 0.000 1.383 112 H HN 0.218 nan 8.280 nan 0.000 0.508 113 K N -0.221 120.231 120.400 0.087 0.000 2.148 113 K HA -0.103 4.217 4.320 -0.001 0.000 0.204 113 K C 1.944 178.499 176.600 -0.076 0.000 1.050 113 K CA 0.911 57.208 56.287 0.016 0.000 0.942 113 K CB -0.107 32.418 32.500 0.042 0.000 0.724 113 K HN 0.107 nan 8.250 nan 0.000 0.446 114 L N 0.854 121.996 121.223 -0.136 0.000 2.027 114 L HA -0.131 4.209 4.340 -0.001 0.000 0.206 114 L C 1.960 178.635 176.870 -0.326 0.000 1.074 114 L CA 1.498 56.214 54.840 -0.205 0.000 0.745 114 L CB -0.359 41.567 42.059 -0.223 0.000 0.898 114 L HN -0.134 nan 8.230 nan 0.000 0.433 115 V N 0.068 119.683 119.914 -0.498 0.000 2.343 115 V HA -0.295 3.825 4.120 -0.001 0.000 0.247 115 V C 2.619 178.387 176.094 -0.544 0.000 1.051 115 V CA 2.020 63.945 62.300 -0.624 0.000 1.036 115 V CB -0.723 30.690 31.823 -0.684 0.000 0.654 115 V HN 0.634 nan 8.190 nan 0.000 0.451 116 E N 0.325 120.358 120.200 -0.278 0.000 2.072 116 E HA -0.204 4.145 4.350 -0.001 0.000 0.191 116 E C 2.232 178.779 176.600 -0.089 0.000 0.985 116 E CA 1.320 57.648 56.400 -0.120 0.000 0.801 116 E CB -0.215 29.466 29.700 -0.031 0.000 0.750 116 E HN 0.554 nan 8.360 nan 0.000 0.452 117 A N 1.151 123.908 122.820 -0.105 0.000 1.930 117 A HA -0.056 4.264 4.320 -0.001 0.000 0.217 117 A C 2.366 179.902 177.584 -0.081 0.000 1.175 117 A CA 1.686 53.679 52.037 -0.073 0.000 0.627 117 A CB -0.675 18.284 19.000 -0.068 0.000 0.815 117 A HN 0.417 nan 8.150 nan 0.000 0.443 118 A N -0.965 121.769 122.820 -0.143 0.000 1.873 118 A HA -0.151 4.168 4.320 -0.001 0.000 0.215 118 A C 2.034 179.604 177.584 -0.022 0.000 1.186 118 A CA 1.681 53.645 52.037 -0.123 0.000 0.616 118 A CB -0.885 17.998 19.000 -0.195 0.000 0.823 118 A HN 0.584 nan 8.150 nan 0.000 0.442 119 H N -0.849 118.175 119.070 -0.078 0.000 2.387 119 H HA -0.119 4.436 4.556 -0.001 0.000 0.299 119 H C 2.097 177.391 175.328 -0.056 0.000 1.090 119 H CA 1.810 57.819 56.048 -0.063 0.000 1.332 119 H CB -0.423 29.312 29.762 -0.045 0.000 1.386 119 H HN 0.613 nan 8.280 nan 0.000 0.516 120 Q N 1.207 121.052 119.800 0.074 0.000 2.234 120 Q HA -0.088 4.252 4.340 -0.001 0.000 0.206 120 Q C 1.492 177.492 176.000 0.000 0.000 0.980 120 Q CA 1.315 57.133 55.803 0.026 0.000 0.869 120 Q CB 0.089 28.832 28.738 0.008 0.000 0.912 120 Q HN 0.327 nan 8.270 nan 0.000 0.436 121 R N -1.727 118.766 120.500 -0.010 0.000 2.362 121 R HA 0.286 4.626 4.340 -0.001 0.000 0.227 121 R C 0.672 176.942 176.300 -0.051 0.000 0.905 121 R CA 0.493 56.573 56.100 -0.033 0.000 1.067 121 R CB 0.521 30.794 30.300 -0.044 0.000 1.078 121 R HN 0.314 nan 8.270 nan 0.000 0.516 122 G N 1.350 110.126 108.800 -0.040 0.000 2.147 122 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.244 122 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.244 122 G C -0.037 174.801 174.900 -0.104 0.000 1.005 122 G CA -0.289 44.764 45.100 -0.077 0.000 0.713 122 G HN 0.126 nan 8.290 nan 0.000 0.515 123 I N 0.995 121.527 120.570 -0.063 0.000 2.315 123 I HA 0.341 4.510 4.170 -0.001 0.000 0.291 123 I C 0.776 176.879 176.117 -0.025 0.000 1.006 123 I CA -0.899 60.336 61.300 -0.108 0.000 1.265 123 I CB 1.143 39.071 38.000 -0.119 0.000 1.387 123 I HN 0.046 nan 8.210 nan 0.000 0.475 124 K N 4.730 125.063 120.400 -0.112 0.000 2.185 124 K HA 0.573 4.892 4.320 -0.001 0.000 0.271 124 K C -0.752 175.879 176.600 0.051 0.000 1.013 124 K CA -0.624 55.677 56.287 0.023 0.000 0.943 124 K CB 1.805 34.279 32.500 -0.043 0.000 0.998 124 K HN 0.275 nan 8.250 nan 0.000 0.468 125 V N 4.519 124.522 119.914 0.148 0.000 2.444 125 V HA 0.412 4.531 4.120 -0.001 0.000 0.294 125 V C -0.099 176.126 176.094 0.218 0.000 1.022 125 V CA -0.857 61.521 62.300 0.130 0.000 0.850 125 V CB 1.025 32.833 31.823 -0.025 0.000 0.992 125 V HN 0.669 nan 8.190 nan 0.000 0.426 126 I N 4.197 124.955 120.570 0.313 0.000 2.740 126 I HA 0.835 5.004 4.170 -0.001 0.000 0.303 126 I C -0.556 175.748 176.117 0.312 0.000 1.044 126 I CA -0.903 60.552 61.300 0.259 0.000 1.064 126 I CB 2.192 40.377 38.000 0.307 0.000 1.249 126 I HN 0.660 nan 8.210 nan 0.000 0.433 127 I N -0.073 120.655 120.570 0.263 0.000 2.785 127 I HA 0.548 4.718 4.170 -0.001 0.000 0.302 127 I C -0.756 175.567 176.117 0.343 0.000 1.069 127 I CA -0.651 60.828 61.300 0.300 0.000 1.045 127 I CB 2.052 40.123 38.000 0.119 0.000 1.236 127 I HN 0.530 nan 8.210 nan 0.000 0.429 128 D N 3.410 123.988 120.400 0.295 0.000 2.425 128 D HA 0.216 4.855 4.640 -0.001 0.000 0.247 128 D C -0.988 175.428 176.300 0.193 0.000 1.147 128 D CA 0.302 54.467 54.000 0.275 0.000 0.879 128 D CB 1.560 42.528 40.800 0.280 0.000 1.179 128 D HN 0.434 nan 8.370 nan 0.000 0.456 129 L N 6.576 127.956 121.223 0.263 0.000 2.408 129 L HA 0.352 4.692 4.340 -0.001 0.000 0.257 129 L C -2.439 174.601 176.870 0.284 0.000 1.053 129 L CA -1.760 53.248 54.840 0.279 0.000 0.922 129 L CB 1.674 43.776 42.059 0.072 0.000 1.261 129 L HN 0.091 nan 8.230 nan 0.000 0.458 130 P HA 0.180 nan 4.420 nan 0.000 0.249 130 P C 0.213 177.693 177.300 0.301 0.000 1.737 130 P CA 0.063 63.345 63.100 0.303 0.000 1.128 130 P CB -0.172 31.727 31.700 0.333 0.000 1.942 131 I N -2.768 117.911 120.570 0.181 0.000 3.941 131 I HA 0.267 4.437 4.170 -0.001 0.000 0.335 131 I C 1.279 177.460 176.117 0.107 0.000 1.402 131 I CA 0.361 61.731 61.300 0.116 0.000 1.112 131 I CB -0.761 37.263 38.000 0.040 0.000 1.043 131 I HN -0.011 nan 8.210 nan 0.000 0.395 132 N N 1.499 120.203 118.700 0.006 0.000 2.300 132 N HA -0.063 4.677 4.740 -0.001 0.000 0.179 132 N C 0.173 175.760 175.510 0.128 0.000 1.016 132 N CA 0.969 54.036 53.050 0.027 0.000 0.876 132 N CB 0.186 38.722 38.487 0.081 0.000 0.979 132 N HN 0.717 nan 8.380 nan 0.000 0.432 133 H N -3.258 115.985 119.070 0.290 0.000 2.960 133 H HA 0.379 4.934 4.556 -0.000 0.000 0.323 133 H C -0.782 174.724 175.328 0.296 0.000 1.326 133 H CA -0.747 55.461 56.048 0.267 0.000 1.124 133 H CB 1.100 31.011 29.762 0.249 0.000 1.853 133 H HN -0.040 nan 8.280 nan 0.000 0.536 134 T N -2.041 112.774 114.554 0.435 0.000 2.888 134 T HA 0.402 4.752 4.350 -0.001 0.000 0.288 134 T C 0.108 174.910 174.700 0.169 0.000 1.063 134 T CA -0.743 61.544 62.100 0.313 0.000 1.010 134 T CB 1.810 70.819 68.868 0.236 0.000 1.214 134 T HN 0.654 nan 8.240 nan 0.000 0.533 135 S N -0.427 115.335 115.700 0.103 0.000 2.592 135 S HA 0.133 4.602 4.470 -0.001 0.000 0.271 135 S C 1.379 175.889 174.600 -0.151 0.000 1.326 135 S CA 0.023 58.212 58.200 -0.018 0.000 1.024 135 S CB 0.352 63.558 63.200 0.010 0.000 0.921 135 S HN 0.905 nan 8.310 nan 0.000 0.527 136 E N 2.919 122.924 120.200 -0.326 0.000 2.409 136 E HA -0.108 4.242 4.350 -0.001 0.000 0.198 136 E C 1.238 177.844 176.600 0.010 0.000 1.024 136 E CA 0.689 56.848 56.400 -0.401 0.000 0.861 136 E CB -0.095 29.352 29.700 -0.422 0.000 0.788 136 E HN 0.646 nan 8.360 nan 0.000 0.521 137 R N 0.421 120.915 120.500 -0.009 0.000 2.359 137 R HA 0.099 4.438 4.340 -0.001 0.000 0.231 137 R C 0.549 176.863 176.300 0.022 0.000 0.913 137 R CA -0.180 55.934 56.100 0.024 0.000 1.075 137 R CB -0.030 30.264 30.300 -0.010 0.000 1.087 137 R HN 0.221 nan 8.270 nan 0.000 0.515 138 H N 1.810 120.860 119.070 -0.034 0.000 2.764 138 H HA 0.063 4.618 4.556 -0.001 0.000 0.341 138 H C -1.788 173.517 175.328 -0.038 0.000 1.072 138 H CA -1.961 54.034 56.048 -0.089 0.000 1.444 138 H CB 1.637 31.344 29.762 -0.093 0.000 1.458 138 H HN -0.191 nan 8.280 nan 0.000 0.572 139 P HA -0.224 nan 4.420 nan 0.000 0.218 139 P C 1.243 178.639 177.300 0.161 0.000 1.154 139 P CA 1.469 64.569 63.100 0.000 0.000 0.872 139 P CB -0.035 31.575 31.700 -0.149 0.000 0.790 140 W N -1.405 119.986 121.300 0.152 0.000 2.318 140 W HA -0.148 4.511 4.660 -0.002 0.000 0.313 140 W C 2.350 178.963 176.519 0.157 0.000 1.221 140 W CA 0.635 57.855 57.345 -0.208 0.000 1.266 140 W CB -2.003 27.369 29.460 -0.146 0.000 1.150 140 W HN -0.028 nan 8.180 nan 0.000 0.496 141 F N 0.242 120.393 119.950 0.335 0.000 2.163 141 F HA -0.082 4.444 4.527 -0.002 0.000 0.297 141 F C 2.303 178.087 175.800 -0.026 0.000 1.094 141 F CA 1.381 59.340 58.000 -0.068 0.000 1.290 141 F CB -0.756 37.986 39.000 -0.431 0.000 1.017 141 F HN -0.301 nan 8.300 nan 0.000 0.483 142 L N 0.054 121.291 121.223 0.023 0.000 2.042 142 L HA -0.282 4.058 4.340 -0.001 0.000 0.210 142 L C 2.392 179.207 176.870 -0.092 0.000 1.076 142 L CA 1.759 56.559 54.840 -0.067 0.000 0.749 142 L CB -0.726 41.338 42.059 0.008 0.000 0.893 142 L HN 0.110 nan 8.230 nan 0.000 0.432 143 K N -0.094 120.302 120.400 -0.008 0.000 2.031 143 K HA -0.057 4.262 4.320 -0.001 0.000 0.205 143 K C 2.230 178.844 176.600 0.024 0.000 1.049 143 K CA 1.226 57.535 56.287 0.036 0.000 0.939 143 K CB -0.242 32.340 32.500 0.138 0.000 0.717 143 K HN 0.240 nan 8.250 nan 0.000 0.438 144 A N 0.797 123.660 122.820 0.072 0.000 2.015 144 A HA -0.121 4.198 4.320 -0.001 0.000 0.219 144 A C 2.112 179.650 177.584 -0.076 0.000 1.163 144 A CA 1.735 53.846 52.037 0.124 0.000 0.646 144 A CB -0.379 18.893 19.000 0.454 0.000 0.806 144 A HN 0.238 nan 8.150 nan 0.000 0.448 145 S N -1.188 114.323 115.700 -0.316 0.000 2.527 145 S HA 0.051 4.521 4.470 -0.001 0.000 0.222 145 S C 1.538 175.996 174.600 -0.237 0.000 0.985 145 S CA 0.322 58.279 58.200 -0.404 0.000 0.921 145 S CB -0.197 62.453 63.200 -0.916 0.000 0.772 145 S HN 0.601 nan 8.310 nan 0.000 0.529 146 R N 0.628 121.024 120.500 -0.173 0.000 2.509 146 R HA 0.321 4.661 4.340 -0.001 0.000 0.300 146 R C -1.051 175.192 176.300 -0.095 0.000 0.985 146 R CA 0.081 56.116 56.100 -0.108 0.000 1.092 146 R CB 0.557 30.814 30.300 -0.073 0.000 1.237 146 R HN 0.169 nan 8.270 nan 0.000 0.546 147 D N -0.082 120.242 120.400 -0.127 0.000 2.400 147 D HA 0.058 4.698 4.640 -0.001 0.000 0.197 147 D C 0.053 176.255 176.300 -0.162 0.000 1.295 147 D CA -0.358 53.574 54.000 -0.113 0.000 0.878 147 D CB 0.956 41.718 40.800 -0.062 0.000 1.659 147 D HN -0.208 nan 8.370 nan 0.000 0.546 148 K N 1.329 121.610 120.400 -0.198 0.000 2.360 148 K HA -0.009 4.310 4.320 -0.001 0.000 0.201 148 K C 0.737 177.239 176.600 -0.163 0.000 1.046 148 K CA 0.657 56.792 56.287 -0.254 0.000 0.945 148 K CB 0.147 32.513 32.500 -0.223 0.000 0.750 148 K HN 0.316 nan 8.250 nan 0.000 0.464 149 N N 0.724 119.360 118.700 -0.106 0.000 2.251 149 N HA -0.015 4.724 4.740 -0.001 0.000 0.217 149 N C -0.114 175.364 175.510 -0.054 0.000 1.124 149 N CA 0.062 53.070 53.050 -0.070 0.000 0.843 149 N CB 0.804 39.257 38.487 -0.057 0.000 1.024 149 N HN -0.019 nan 8.380 nan 0.000 0.501 150 S N 1.142 116.813 115.700 -0.049 0.000 2.573 150 S HA -0.024 4.446 4.470 -0.001 0.000 0.277 150 S C 1.497 176.073 174.600 -0.040 0.000 1.346 150 S CA -0.310 57.880 58.200 -0.017 0.000 1.034 150 S CB 0.986 64.207 63.200 0.035 0.000 0.879 150 S HN 0.376 nan 8.310 nan 0.000 0.528 151 E N 2.170 122.303 120.200 -0.112 0.000 2.274 151 E HA -0.155 4.194 4.350 -0.001 0.000 0.194 151 E C 0.399 176.762 176.600 -0.393 0.000 0.996 151 E CA 1.234 57.473 56.400 -0.268 0.000 0.840 151 E CB -0.294 29.162 29.700 -0.408 0.000 0.772 151 E HN 0.856 nan 8.360 nan 0.000 0.491 152 Y N 0.250 120.466 120.300 -0.139 0.000 2.458 152 Y HA 0.253 4.803 4.550 -0.001 0.000 0.256 152 Y C 2.070 178.024 175.900 0.090 0.000 1.159 152 Y CA -0.419 57.500 58.100 -0.300 0.000 1.261 152 Y CB 0.299 38.529 38.460 -0.384 0.000 1.119 152 Y HN -0.054 nan 8.280 nan 0.000 0.524 153 R N 1.231 121.881 120.500 0.250 0.000 2.096 153 R HA -0.211 4.128 4.340 -0.001 0.000 0.240 153 R C 1.385 178.017 176.300 0.553 0.000 1.139 153 R CA 2.129 58.446 56.100 0.361 0.000 0.952 153 R CB -0.615 29.750 30.300 0.108 0.000 0.854 153 R HN 0.191 nan 8.270 nan 0.000 0.436 154 D N -1.197 119.416 120.400 0.355 0.000 2.352 154 D HA -0.082 4.558 4.640 -0.001 0.000 0.232 154 D C 0.557 176.969 176.300 0.187 0.000 1.055 154 D CA 0.349 54.516 54.000 0.278 0.000 0.891 154 D CB -0.019 40.863 40.800 0.136 0.000 0.897 154 D HN 0.303 nan 8.370 nan 0.000 0.529 155 Y N -0.893 119.386 120.300 -0.034 0.000 2.519 155 Y HA 0.113 4.662 4.550 -0.001 0.000 0.287 155 Y C -0.015 175.507 175.900 -0.630 0.000 1.128 155 Y CA 0.485 58.353 58.100 -0.387 0.000 1.282 155 Y CB -0.045 38.128 38.460 -0.478 0.000 1.027 155 Y HN -0.053 nan 8.280 nan 0.000 0.551 156 Y N -2.296 118.134 120.300 0.216 0.000 2.659 156 Y HA 0.547 5.098 4.550 0.001 0.000 0.333 156 Y C -0.392 175.396 175.900 -0.186 0.000 1.064 156 Y CA -2.016 56.078 58.100 -0.011 0.000 1.141 156 Y CB 0.972 39.405 38.460 -0.046 0.000 1.316 156 Y HN -0.552 nan 8.280 nan 0.000 0.509 157 V N 1.238 121.080 119.914 -0.120 0.000 2.350 157 V HA 0.201 4.320 4.120 -0.001 0.000 0.276 157 V C -1.245 174.779 176.094 -0.116 0.000 1.028 157 V CA -0.917 61.342 62.300 -0.068 0.000 0.860 157 V CB -0.038 31.780 31.823 -0.009 0.000 0.990 157 V HN 0.600 nan 8.190 nan 0.000 0.453 158 W N 2.959 124.500 121.300 0.402 0.000 2.520 158 W HA 0.743 5.402 4.660 -0.002 0.000 0.323 158 W C 0.551 177.259 176.519 0.315 0.000 1.062 158 W CA -0.487 57.100 57.345 0.405 0.000 1.215 158 W CB 1.343 30.957 29.460 0.257 0.000 1.340 158 W HN 0.702 nan 8.180 nan 0.000 0.516 159 A N 1.747 124.801 122.820 0.390 0.000 2.433 159 A HA 0.614 4.933 4.320 -0.001 0.000 0.250 159 A C 0.879 178.381 177.584 -0.137 0.000 1.113 159 A CA 0.994 52.842 52.037 -0.315 0.000 0.794 159 A CB -0.211 18.306 19.000 -0.805 0.000 1.067 159 A HN 1.003 nan 8.150 nan 0.000 0.510 160 G N -1.166 107.464 108.800 -0.284 0.000 3.125 160 G HA2 0.464 4.423 3.960 -0.001 0.000 0.136 160 G HA3 0.464 4.423 3.960 -0.001 0.000 0.136 160 G C -2.458 172.322 174.900 -0.201 0.000 1.411 160 G CA 0.151 45.163 45.100 -0.147 0.000 1.130 160 G HN 0.715 nan 8.290 nan 0.000 0.701 161 P HA 0.567 nan 4.420 nan 0.000 0.287 161 P C -1.265 175.898 177.300 -0.229 0.000 1.279 161 P CA -0.285 62.719 63.100 -0.161 0.000 0.867 161 P CB 1.327 32.978 31.700 -0.081 0.000 1.127 162 D N 0.625 120.921 120.400 -0.173 0.000 9.364 162 D HA -0.132 4.507 4.640 -0.001 0.000 0.298 162 D C -0.470 175.673 176.300 -0.262 0.000 2.555 162 D CA 1.127 55.036 54.000 -0.152 0.000 2.291 162 D CB -0.095 40.673 40.800 -0.054 0.000 1.031 162 D HN 0.515 nan 8.370 nan 0.000 0.758 163 T N 0.951 115.386 114.554 -0.198 0.000 3.327 163 T HA 0.239 4.588 4.350 -0.001 0.000 0.244 163 T C 0.902 175.613 174.700 0.019 0.000 1.074 163 T CA -0.707 61.292 62.100 -0.169 0.000 1.156 163 T CB 0.648 69.390 68.868 -0.211 0.000 1.087 163 T HN 0.194 nan 8.240 nan 0.000 0.575 164 D N 2.664 123.108 120.400 0.073 0.000 1.922 164 D HA -0.028 4.611 4.640 -0.001 0.000 0.271 164 D C 0.095 176.430 176.300 0.058 0.000 1.182 164 D CA 1.477 55.516 54.000 0.065 0.000 1.033 164 D CB -0.232 40.616 40.800 0.081 0.000 1.642 164 D HN 0.547 nan 8.370 nan 0.000 0.576 165 T N -0.200 114.392 114.554 0.063 0.000 2.277 165 T HA -0.036 4.313 4.350 -0.001 0.000 0.587 165 T C -1.027 173.659 174.700 -0.024 0.000 0.884 165 T CA -0.397 61.700 62.100 -0.005 0.000 2.973 165 T CB -0.470 68.376 68.868 -0.037 0.000 1.883 165 T HN 0.073 nan 8.240 nan 0.000 0.482 166 K N 3.143 123.519 120.400 -0.040 0.000 2.174 166 K HA 0.622 4.942 4.320 -0.001 0.000 0.275 166 K C 0.395 176.941 176.600 -0.090 0.000 1.015 166 K CA -0.981 55.281 56.287 -0.040 0.000 0.933 166 K CB 1.005 33.499 32.500 -0.009 0.000 1.025 166 K HN 0.595 nan 8.250 nan 0.000 0.463 167 E N 1.681 121.838 120.200 -0.073 0.000 2.393 167 E HA 0.626 4.975 4.350 -0.001 0.000 0.273 167 E C -0.488 176.066 176.600 -0.077 0.000 0.918 167 E CA -0.778 55.568 56.400 -0.089 0.000 0.773 167 E CB 2.135 31.793 29.700 -0.071 0.000 1.275 167 E HN 0.623 nan 8.360 nan 0.000 0.451 168 T N -0.477 114.023 114.554 -0.089 0.000 2.606 168 T HA 0.036 4.385 4.350 -0.001 0.000 0.170 168 T C -0.879 173.760 174.700 -0.102 0.000 2.545 168 T CA -0.225 61.826 62.100 -0.083 0.000 0.973 168 T CB -0.858 67.966 68.868 -0.073 0.000 2.522 168 T HN 0.515 nan 8.240 nan 0.000 0.271 169 K N -0.439 119.893 120.400 -0.113 0.000 2.403 169 K HA -0.189 4.130 4.320 -0.001 0.000 0.203 169 K C -0.334 176.188 176.600 -0.130 0.000 1.500 169 K CA 0.856 57.060 56.287 -0.139 0.000 0.779 169 K CB -1.126 31.283 32.500 -0.151 0.000 0.682 169 K HN 0.735 nan 8.250 nan 0.000 0.958 170 L N 1.618 122.755 121.223 -0.144 0.000 2.417 170 L HA 0.348 4.688 4.340 -0.001 0.000 0.259 170 L C -0.058 176.721 176.870 -0.151 0.000 1.023 170 L CA 0.721 55.476 54.840 -0.142 0.000 0.901 170 L CB 0.914 42.883 42.059 -0.151 0.000 1.227 170 L HN 0.664 nan 8.230 nan 0.000 0.454 171 D N 1.818 122.137 120.400 -0.135 0.000 1.697 171 D HA 0.242 4.882 4.640 -0.001 0.000 0.521 171 D C 0.403 176.635 176.300 -0.112 0.000 1.190 171 D CA 1.124 55.041 54.000 -0.137 0.000 1.081 171 D CB 0.019 40.754 40.800 -0.108 0.000 2.624 171 D HN 0.595 nan 8.370 nan 0.000 0.313 172 G N -0.626 108.118 108.800 -0.093 0.000 2.419 172 G HA2 0.504 4.463 3.960 -0.001 0.000 0.061 172 G HA3 0.504 4.463 3.960 -0.001 0.000 0.061 172 G C -0.207 174.648 174.900 -0.075 0.000 0.907 172 G CA 0.463 45.523 45.100 -0.067 0.000 1.174 172 G HN 0.974 nan 8.290 nan 0.000 0.468 173 G N -1.122 107.643 108.800 -0.059 0.000 2.523 173 G HA2 0.689 4.648 3.960 -0.001 0.000 0.291 173 G HA3 0.689 4.648 3.960 -0.001 0.000 0.291 173 G C -1.077 173.771 174.900 -0.086 0.000 1.450 173 G CA 0.210 45.256 45.100 -0.091 0.000 0.790 173 G HN 1.243 nan 8.290 nan 0.000 0.496 174 R N -1.635 118.775 120.500 -0.150 0.000 0.920 174 R HA -0.165 4.174 4.340 -0.001 0.000 0.433 174 R C 0.553 176.626 176.300 -0.378 0.000 1.361 174 R CA 0.780 56.750 56.100 -0.217 0.000 1.010 174 R CB -1.473 28.716 30.300 -0.185 0.000 3.119 174 R HN 1.593 nan 8.270 nan 0.000 0.520 175 V N -1.678 117.930 119.914 -0.510 0.000 3.645 175 V HA 0.343 4.462 4.120 -0.001 0.000 0.275 175 V C 0.398 175.824 176.094 -1.114 0.000 1.356 175 V CA 0.132 61.956 62.300 -0.792 0.000 1.051 175 V CB 0.308 31.685 31.823 -0.744 0.000 0.828 175 V HN 0.466 nan 8.190 nan 0.000 0.441 176 W N 0.972 121.806 121.300 -0.777 0.000 2.478 176 W HA 0.777 5.436 4.660 -0.002 0.000 0.318 176 W C -0.149 175.732 176.519 -1.063 0.000 1.062 176 W CA -0.143 56.791 57.345 -0.685 0.000 1.210 176 W CB 1.195 30.451 29.460 -0.340 0.000 1.325 176 W HN 0.199 nan 8.180 nan 0.000 0.496 177 H N 0.157 119.013 119.070 -0.358 0.000 2.928 177 H HA 0.371 4.926 4.556 -0.002 0.000 0.371 177 H C -1.277 173.865 175.328 -0.311 0.000 1.186 177 H CA -1.188 54.614 56.048 -0.410 0.000 1.134 177 H CB 1.109 30.525 29.762 -0.577 0.000 1.824 177 H HN 0.306 nan 8.280 nan 0.000 0.554 178 Y N 0.931 121.311 120.300 0.134 0.000 2.336 178 Y HA 0.376 4.931 4.550 0.009 0.000 0.331 178 Y C 0.291 176.432 175.900 0.402 0.000 1.211 178 Y CA 0.349 58.587 58.100 0.229 0.000 1.346 178 Y CB 1.191 39.749 38.460 0.163 0.000 1.271 178 Y HN 0.663 nan 8.280 nan 0.000 0.538 179 S N 1.896 117.961 115.700 0.610 0.000 2.325 179 S HA 0.247 4.717 4.470 -0.001 0.000 0.228 179 S C -2.468 172.328 174.600 0.326 0.000 0.942 179 S CA -1.282 57.223 58.200 0.509 0.000 1.070 179 S CB 1.606 65.222 63.200 0.694 0.000 1.232 179 S HN 0.398 nan 8.310 nan 0.000 0.405 180 P HA -0.323 nan 4.420 nan 0.000 0.234 180 P C 1.110 178.451 177.300 0.068 0.000 1.089 180 P CA 2.902 66.069 63.100 0.112 0.000 0.958 180 P CB -0.381 31.353 31.700 0.057 0.000 0.698 181 T N -5.256 109.312 114.554 0.024 0.000 3.243 181 T HA 0.590 4.939 4.350 -0.001 0.000 0.264 181 T C 0.539 175.185 174.700 -0.090 0.000 1.000 181 T CA -0.050 61.999 62.100 -0.084 0.000 0.901 181 T CB -0.005 68.730 68.868 -0.223 0.000 1.083 181 T HN 0.448 nan 8.240 nan 0.000 0.559 182 G N 1.353 110.225 108.800 0.120 0.000 2.355 182 G HA2 0.172 4.131 3.960 -0.001 0.000 0.619 182 G HA3 0.172 4.131 3.960 -0.001 0.000 0.619 182 G C -1.051 174.145 174.900 0.493 0.000 1.337 182 G CA -1.177 44.060 45.100 0.229 0.000 0.993 182 G HN 0.411 nan 8.290 nan 0.000 0.599 183 M N 0.793 120.644 119.600 0.417 0.000 2.264 183 M HA 0.556 5.035 4.480 -0.001 0.000 0.352 183 M C 0.022 176.723 176.300 0.668 0.000 1.173 183 M CA -0.661 54.859 55.300 0.368 0.000 1.075 183 M CB 1.387 33.968 32.600 -0.033 0.000 1.621 183 M HN 0.665 nan 8.290 nan 0.000 0.457 184 Y N 0.385 120.963 120.300 0.463 0.000 2.567 184 Y HA 0.610 5.159 4.550 -0.003 0.000 0.333 184 Y C -1.322 174.682 175.900 0.175 0.000 1.106 184 Y CA -1.546 56.645 58.100 0.152 0.000 1.157 184 Y CB 0.584 38.839 38.460 -0.341 0.000 1.277 184 Y HN 0.536 nan 8.280 nan 0.000 0.490 185 Y N 1.262 121.448 120.300 -0.189 0.000 2.316 185 Y HA 0.584 5.134 4.550 -0.001 0.000 0.331 185 Y C 0.093 175.864 175.900 -0.215 0.000 1.083 185 Y CA -0.636 57.080 58.100 -0.641 0.000 1.206 185 Y CB 1.266 39.256 38.460 -0.784 0.000 1.195 185 Y HN 0.930 nan 8.280 nan 0.000 0.497 186 G N 5.417 113.793 108.800 -0.706 0.000 3.025 186 G HA2 0.027 3.986 3.960 -0.001 0.000 0.305 186 G HA3 0.027 3.986 3.960 -0.001 0.000 0.305 186 G C -0.378 174.229 174.900 -0.489 0.000 1.568 186 G CA -0.415 44.454 45.100 -0.385 0.000 0.916 186 G HN 0.804 nan 8.290 nan 0.000 0.502 187 Y N 2.407 122.189 120.300 -0.863 0.000 2.069 187 Y HA -0.210 4.340 4.550 -0.000 0.000 0.278 187 Y C 2.001 177.535 175.900 -0.609 0.000 1.175 187 Y CA 2.239 59.808 58.100 -0.885 0.000 1.134 187 Y CB -0.062 37.712 38.460 -1.143 0.000 0.965 187 Y HN 0.498 nan 8.280 nan 0.000 0.498 188 F N -2.762 117.064 119.950 -0.207 0.000 2.149 188 F HA 0.038 4.564 4.527 -0.002 0.000 0.294 188 F C 0.325 176.105 175.800 -0.034 0.000 1.095 188 F CA 1.480 59.382 58.000 -0.164 0.000 1.276 188 F CB -0.429 38.520 39.000 -0.085 0.000 1.023 188 F HN 0.178 nan 8.300 nan 0.000 0.480 189 W N -0.788 120.439 121.300 -0.123 0.000 3.298 189 W HA 0.306 4.965 4.660 -0.003 0.000 0.302 189 W C 0.923 177.167 176.519 -0.458 0.000 1.255 189 W CA -0.912 56.308 57.345 -0.209 0.000 1.196 189 W CB 0.382 29.774 29.460 -0.113 0.000 1.364 189 W HN -0.147 nan 8.180 nan 0.000 0.566 190 S N 1.087 116.167 115.700 -1.033 0.000 2.419 190 S HA -0.062 4.407 4.470 -0.001 0.000 0.235 190 S C 1.562 175.480 174.600 -1.136 0.000 1.019 190 S CA 1.591 59.033 58.200 -1.263 0.000 0.982 190 S CB -0.640 62.147 63.200 -0.690 0.000 0.789 190 S HN 1.138 nan 8.310 nan 0.000 0.490 191 G N 0.389 107.822 108.800 -2.278 0.000 2.848 191 G HA2 0.307 4.267 3.960 -0.001 0.000 0.208 191 G HA3 0.307 4.267 3.960 -0.001 0.000 0.208 191 G C 0.570 174.781 174.900 -1.150 0.000 1.152 191 G CA -0.149 43.659 45.100 -2.153 0.000 0.789 191 G HN 0.577 nan 8.290 nan 0.000 0.531 192 M N 1.991 121.127 119.600 -0.773 0.000 2.746 192 M HA 0.242 4.721 4.480 -0.001 0.000 0.209 192 M C -2.727 173.405 176.300 -0.280 0.000 1.077 192 M CA -1.669 53.404 55.300 -0.379 0.000 0.695 192 M CB 2.269 34.665 32.600 -0.340 0.000 1.416 192 M HN -0.168 nan 8.290 nan 0.000 0.459 193 P HA -0.009 nan 4.420 nan 0.000 0.267 193 P C -0.912 176.456 177.300 0.114 0.000 1.205 193 P CA 0.312 63.255 63.100 -0.262 0.000 0.765 193 P CB 0.744 31.780 31.700 -1.107 0.000 0.828 194 D N 3.024 123.542 120.400 0.196 0.000 2.350 194 D HA 0.174 4.813 4.640 -0.001 0.000 0.249 194 D C 0.711 177.151 176.300 0.234 0.000 1.119 194 D CA -0.084 54.076 54.000 0.268 0.000 0.886 194 D CB 1.063 42.014 40.800 0.250 0.000 1.195 194 D HN 0.296 nan 8.370 nan 0.000 0.437 195 L N 2.292 123.592 121.223 0.128 0.000 2.426 195 L HA 0.031 4.370 4.340 -0.001 0.000 0.271 195 L C 0.941 177.670 176.870 -0.236 0.000 1.169 195 L CA -0.346 54.397 54.840 -0.162 0.000 0.836 195 L CB 0.260 42.176 42.059 -0.239 0.000 1.112 195 L HN 0.250 nan 8.230 nan 0.000 0.465 196 N N 1.633 120.105 118.700 -0.380 0.000 2.555 196 N HA 0.036 4.776 4.740 -0.001 0.000 0.244 196 N C 0.187 175.403 175.510 -0.491 0.000 1.114 196 N CA 0.041 52.892 53.050 -0.332 0.000 0.963 196 N CB 0.155 38.513 38.487 -0.215 0.000 1.276 196 N HN 0.321 nan 8.380 nan 0.000 0.510 197 Y N 1.206 121.176 120.300 -0.550 0.000 2.632 197 Y HA 0.074 4.623 4.550 -0.001 0.000 0.301 197 Y C 1.535 177.287 175.900 -0.245 0.000 1.172 197 Y CA 0.280 58.040 58.100 -0.568 0.000 1.328 197 Y CB -0.035 37.884 38.460 -0.901 0.000 1.016 197 Y HN 0.574 nan 8.280 nan 0.000 0.529 198 N N 0.092 118.747 118.700 -0.075 0.000 2.463 198 N HA -0.086 4.653 4.740 -0.001 0.000 0.181 198 N C 0.003 175.478 175.510 -0.058 0.000 1.078 198 N CA 0.296 53.373 53.050 0.045 0.000 0.902 198 N CB -0.071 38.455 38.487 0.064 0.000 0.970 198 N HN 0.200 nan 8.380 nan 0.000 0.451 199 N N 1.420 120.014 118.700 -0.176 0.000 2.414 199 N HA 0.187 4.927 4.740 -0.001 0.000 0.256 199 N C -1.944 173.414 175.510 -0.254 0.000 1.029 199 N CA -1.942 50.981 53.050 -0.212 0.000 0.948 199 N CB 1.671 39.982 38.487 -0.293 0.000 1.102 199 N HN -0.124 nan 8.380 nan 0.000 0.496 200 P HA -0.147 nan 4.420 nan 0.000 0.217 200 P C 0.831 178.015 177.300 -0.193 0.000 1.148 200 P CA 1.115 64.136 63.100 -0.131 0.000 0.828 200 P CB 0.401 32.056 31.700 -0.075 0.000 0.783 201 E N -0.550 119.491 120.200 -0.266 0.000 2.106 201 E HA -0.124 4.226 4.350 -0.001 0.000 0.192 201 E C 1.769 178.050 176.600 -0.532 0.000 0.984 201 E CA 0.790 56.993 56.400 -0.328 0.000 0.806 201 E CB -0.270 29.238 29.700 -0.319 0.000 0.750 201 E HN -0.037 nan 8.360 nan 0.000 0.458 202 V N 1.103 120.570 119.914 -0.744 0.000 2.343 202 V HA -0.272 3.847 4.120 -0.001 0.000 0.247 202 V C 2.316 178.006 176.094 -0.673 0.000 1.051 202 V CA 1.890 63.631 62.300 -0.931 0.000 1.036 202 V CB -0.445 30.738 31.823 -1.068 0.000 0.654 202 V HN 0.328 nan 8.190 nan 0.000 0.451 203 Q N -0.500 119.004 119.800 -0.493 0.000 2.079 203 Q HA -0.254 4.085 4.340 -0.001 0.000 0.200 203 Q C 2.359 178.388 176.000 0.048 0.000 0.974 203 Q CA 1.845 57.548 55.803 -0.165 0.000 0.840 203 Q CB -0.142 28.632 28.738 0.061 0.000 0.898 203 Q HN 0.748 nan 8.270 nan 0.000 0.430 204 E N 0.721 120.893 120.200 -0.045 0.000 2.051 204 E HA -0.205 4.144 4.350 -0.001 0.000 0.192 204 E C 1.752 178.369 176.600 0.029 0.000 0.991 204 E CA 0.861 57.267 56.400 0.011 0.000 0.799 204 E CB 0.240 29.923 29.700 -0.029 0.000 0.748 204 E HN 0.064 nan 8.360 nan 0.000 0.449 205 K N 0.477 120.844 120.400 -0.054 0.000 2.032 205 K HA -0.139 4.180 4.320 -0.001 0.000 0.209 205 K C 2.388 179.047 176.600 0.097 0.000 1.048 205 K CA 1.531 57.836 56.287 0.030 0.000 0.927 205 K CB -0.755 31.693 32.500 -0.087 0.000 0.712 205 K HN 0.323 nan 8.250 nan 0.000 0.441 206 V N -0.869 119.066 119.914 0.034 0.000 2.427 206 V HA -0.160 3.959 4.120 -0.001 0.000 0.248 206 V C 2.275 178.532 176.094 0.272 0.000 1.051 206 V CA 1.336 63.701 62.300 0.107 0.000 1.048 206 V CB -0.741 31.153 31.823 0.118 0.000 0.666 206 V HN 0.099 nan 8.190 nan 0.000 0.456 207 I N 1.773 122.533 120.570 0.315 0.000 2.315 207 I HA -0.058 4.111 4.170 -0.001 0.000 0.248 207 I C 2.738 178.954 176.117 0.166 0.000 1.117 207 I CA 1.560 63.011 61.300 0.252 0.000 1.404 207 I CB -0.895 37.213 38.000 0.181 0.000 1.071 207 I HN 0.449 nan 8.210 nan 0.000 0.419 208 G N 1.117 110.022 108.800 0.174 0.000 2.422 208 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.218 208 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.218 208 G C 1.692 176.747 174.900 0.259 0.000 1.146 208 G CA 0.528 45.750 45.100 0.203 0.000 0.769 208 G HN 0.299 nan 8.290 nan 0.000 0.547 209 I N 1.311 122.000 120.570 0.199 0.000 2.226 209 I HA -0.180 3.990 4.170 -0.001 0.000 0.245 209 I C 3.288 179.567 176.117 0.271 0.000 1.100 209 I CA 0.982 62.327 61.300 0.074 0.000 1.374 209 I CB -0.180 37.738 38.000 -0.138 0.000 1.057 209 I HN 0.248 nan 8.210 nan 0.000 0.413 210 A N 0.780 123.746 122.820 0.243 0.000 1.877 210 A HA -0.227 4.092 4.320 -0.001 0.000 0.216 210 A C 2.314 180.148 177.584 0.418 0.000 1.186 210 A CA 1.643 53.846 52.037 0.275 0.000 0.620 210 A CB -0.464 18.592 19.000 0.093 0.000 0.822 210 A HN 0.313 nan 8.150 nan 0.000 0.443 211 K N -1.741 118.812 120.400 0.254 0.000 2.097 211 K HA -0.182 4.137 4.320 -0.001 0.000 0.206 211 K C 1.959 178.695 176.600 0.227 0.000 1.049 211 K CA 1.683 58.093 56.287 0.205 0.000 0.933 211 K CB -0.411 32.169 32.500 0.134 0.000 0.717 211 K HN 0.626 nan 8.250 nan 0.000 0.442 212 Y N 0.250 120.627 120.300 0.128 0.000 2.097 212 Y HA -0.288 4.261 4.550 -0.000 0.000 0.282 212 Y C 1.751 177.607 175.900 -0.073 0.000 1.152 212 Y CA 1.690 59.789 58.100 -0.001 0.000 1.136 212 Y CB -0.485 37.953 38.460 -0.037 0.000 0.975 212 Y HN 0.094 nan 8.280 nan 0.000 0.498 213 W N 0.150 121.639 121.300 0.315 0.000 2.402 213 W HA -0.128 4.531 4.660 -0.001 0.000 0.286 213 W C 2.248 178.890 176.519 0.205 0.000 1.221 213 W CA 1.036 58.542 57.345 0.269 0.000 1.257 213 W CB -0.389 29.395 29.460 0.541 0.000 1.120 213 W HN 0.081 nan 8.180 nan 0.000 0.551 214 L N 0.301 121.755 121.223 0.385 0.000 2.093 214 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 214 L C 2.193 179.126 176.870 0.106 0.000 1.085 214 L CA 1.375 56.342 54.840 0.211 0.000 0.755 214 L CB -0.691 41.470 42.059 0.171 0.000 0.904 214 L HN -0.035 nan 8.230 nan 0.000 0.435 215 K N -0.485 119.937 120.400 0.037 0.000 2.288 215 K HA -0.119 4.200 4.320 -0.001 0.000 0.201 215 K C 1.869 178.451 176.600 -0.030 0.000 1.048 215 K CA 0.612 56.890 56.287 -0.016 0.000 0.956 215 K CB 0.052 32.520 32.500 -0.054 0.000 0.746 215 K HN 0.276 nan 8.250 nan 0.000 0.461 216 Q N -0.648 119.110 119.800 -0.071 0.000 2.472 216 Q HA 0.030 4.369 4.340 -0.001 0.000 0.208 216 Q C 1.259 177.219 176.000 -0.067 0.000 0.958 216 Q CA 1.004 56.772 55.803 -0.057 0.000 0.932 216 Q CB 0.987 29.718 28.738 -0.012 0.000 1.007 216 Q HN 0.564 nan 8.270 nan 0.000 0.508 217 G N -0.211 108.628 108.800 0.064 0.000 2.255 217 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.196 217 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.196 217 G C 0.139 175.127 174.900 0.148 0.000 0.998 217 G CA 0.033 45.176 45.100 0.072 0.000 0.656 217 G HN 0.249 nan 8.290 nan 0.000 0.490 218 V N 1.599 121.645 119.914 0.219 0.000 2.872 218 V HA 0.302 4.422 4.120 -0.001 0.000 0.307 218 V C 1.024 177.182 176.094 0.107 0.000 1.072 218 V CA 1.210 63.622 62.300 0.187 0.000 1.148 218 V CB 1.039 33.004 31.823 0.236 0.000 0.954 218 V HN 0.332 nan 8.190 nan 0.000 0.490 219 D N 3.792 124.269 120.400 0.128 0.000 2.360 219 D HA 0.292 4.932 4.640 -0.001 0.000 0.210 219 D C 0.483 176.848 176.300 0.110 0.000 1.047 219 D CA 1.157 55.272 54.000 0.191 0.000 0.854 219 D CB 1.132 42.149 40.800 0.362 0.000 0.936 219 D HN 0.802 nan 8.370 nan 0.000 0.514 220 G N -0.141 108.569 108.800 -0.150 0.000 2.323 220 G HA2 0.379 4.338 3.960 -0.001 0.000 0.291 220 G HA3 0.379 4.338 3.960 -0.001 0.000 0.291 220 G C -1.916 172.603 174.900 -0.635 0.000 1.278 220 G CA -0.913 44.019 45.100 -0.280 0.000 0.860 220 G HN 0.005 nan 8.290 nan 0.000 0.504 221 F N -0.662 119.386 119.950 0.163 0.000 2.643 221 F HA 0.807 5.334 4.527 -0.001 0.000 0.314 221 F C 0.040 175.806 175.800 -0.057 0.000 1.096 221 F CA -0.901 57.171 58.000 0.119 0.000 0.953 221 F CB 2.394 41.523 39.000 0.214 0.000 1.345 221 F HN 0.627 nan 8.300 nan 0.000 0.468 222 R N 1.702 122.240 120.500 0.064 0.000 2.387 222 R HA 0.851 5.190 4.340 -0.001 0.000 0.314 222 R C -2.334 173.943 176.300 -0.038 0.000 0.958 222 R CA -0.250 55.681 56.100 -0.281 0.000 0.846 222 R CB 0.753 30.487 30.300 -0.943 0.000 1.147 222 R HN 0.700 nan 8.270 nan 0.000 0.447 223 L N 1.907 123.093 121.223 -0.062 0.000 2.371 223 L HA 0.447 4.786 4.340 -0.001 0.000 0.262 223 L C -0.761 176.072 176.870 -0.062 0.000 1.006 223 L CA -1.201 53.649 54.840 0.016 0.000 0.818 223 L CB 2.248 44.321 42.059 0.025 0.000 1.354 223 L HN 0.666 nan 8.230 nan 0.000 0.415 224 D N 0.785 121.225 120.400 0.066 0.000 2.339 224 D HA 0.185 4.825 4.640 -0.001 0.000 0.241 224 D C 0.878 177.215 176.300 0.062 0.000 1.183 224 D CA -0.040 54.000 54.000 0.067 0.000 0.859 224 D CB 2.081 42.998 40.800 0.195 0.000 1.067 224 D HN 0.664 nan 8.370 nan 0.000 0.484 225 G N 2.873 111.554 108.800 -0.198 0.000 2.511 225 G HA2 0.081 4.041 3.960 -0.001 0.000 0.217 225 G HA3 0.081 4.041 3.960 -0.001 0.000 0.217 225 G C 0.657 175.654 174.900 0.161 0.000 1.133 225 G CA 0.442 45.422 45.100 -0.199 0.000 0.792 225 G HN 0.648 nan 8.290 nan 0.000 0.539 226 A N 0.860 123.688 122.820 0.013 0.000 2.354 226 A HA 0.695 5.014 4.320 -0.001 0.000 0.281 226 A C 0.024 177.490 177.584 -0.197 0.000 1.174 226 A CA -0.213 51.775 52.037 -0.082 0.000 0.828 226 A CB 0.017 18.903 19.000 -0.190 0.000 1.099 226 A HN 0.243 nan 8.150 nan 0.000 0.516 227 M N 3.502 122.950 119.600 -0.253 0.000 2.023 227 M HA 0.248 4.727 4.480 -0.001 0.000 0.325 227 M C -0.441 175.616 176.300 -0.406 0.000 0.963 227 M CA -0.349 54.750 55.300 -0.334 0.000 0.928 227 M CB 1.094 33.415 32.600 -0.465 0.000 1.429 227 M HN 0.851 nan 8.290 nan 0.000 0.404 228 H N 2.279 121.193 119.070 -0.261 0.000 2.556 228 H HA -0.026 4.529 4.556 -0.000 0.000 0.268 228 H C 1.963 177.146 175.328 -0.243 0.000 0.996 228 H CA 0.564 56.454 56.048 -0.264 0.000 1.157 228 H CB 0.024 29.498 29.762 -0.480 0.000 1.355 228 H HN 0.661 nan 8.280 nan 0.000 0.597 229 I N -1.687 118.737 120.570 -0.242 0.000 2.676 229 I HA -0.076 4.094 4.170 -0.001 0.000 0.259 229 I C 0.236 176.165 176.117 -0.314 0.000 1.194 229 I CA 0.697 61.768 61.300 -0.382 0.000 1.473 229 I CB -1.303 36.458 38.000 -0.399 0.000 1.096 229 I HN -0.017 nan 8.210 nan 0.000 0.443 230 F N 4.176 124.027 119.950 -0.165 0.000 2.466 230 F HA 0.384 4.911 4.527 -0.000 0.000 0.363 230 F C -1.744 173.998 175.800 -0.098 0.000 1.109 230 F CA -2.088 55.833 58.000 -0.131 0.000 1.161 230 F CB 0.061 38.976 39.000 -0.141 0.000 1.117 230 F HN -0.091 nan 8.300 nan 0.000 0.539 231 P HA -0.008 nan 4.420 nan 0.000 0.269 231 P C -1.952 175.393 177.300 0.075 0.000 1.217 231 P CA -0.804 62.329 63.100 0.056 0.000 0.783 231 P CB 0.241 31.968 31.700 0.045 0.000 0.898 232 P HA -0.269 nan 4.420 nan 0.000 0.218 232 P C 1.024 178.356 177.300 0.053 0.000 1.152 232 P CA 2.145 65.273 63.100 0.047 0.000 0.857 232 P CB -0.355 31.358 31.700 0.022 0.000 0.787 233 A N -1.095 121.748 122.820 0.038 0.000 2.168 233 A HA -0.130 4.190 4.320 -0.001 0.000 0.215 233 A C 1.654 179.241 177.584 0.006 0.000 1.152 233 A CA 1.077 53.128 52.037 0.024 0.000 0.716 233 A CB -0.697 18.312 19.000 0.015 0.000 0.794 233 A HN 0.279 nan 8.150 nan 0.000 0.465 234 Q N -2.133 117.666 119.800 -0.001 0.000 2.157 234 Q HA 0.143 4.483 4.340 -0.001 0.000 0.229 234 Q C 0.615 176.502 176.000 -0.188 0.000 0.827 234 Q CA -0.446 55.284 55.803 -0.121 0.000 1.055 234 Q CB 0.078 28.720 28.738 -0.160 0.000 1.157 234 Q HN 0.683 nan 8.270 nan 0.000 0.482 235 Y N 2.266 122.472 120.300 -0.157 0.000 2.151 235 Y HA -0.290 4.259 4.550 -0.001 0.000 0.284 235 Y C 1.461 177.203 175.900 -0.262 0.000 1.166 235 Y CA 1.911 59.911 58.100 -0.166 0.000 1.163 235 Y CB 0.215 38.629 38.460 -0.077 0.000 0.974 235 Y HN 0.186 nan 8.280 nan 0.000 0.511 236 D N -0.074 120.180 120.400 -0.243 0.000 2.309 236 D HA -0.150 4.489 4.640 -0.001 0.000 0.212 236 D C 1.832 177.884 176.300 -0.414 0.000 0.968 236 D CA 1.031 54.871 54.000 -0.266 0.000 0.882 236 D CB -0.170 40.570 40.800 -0.099 0.000 0.918 236 D HN 0.457 nan 8.370 nan 0.000 0.503 237 K N 0.457 120.506 120.400 -0.585 0.000 2.283 237 K HA -0.054 4.266 4.320 -0.001 0.000 0.202 237 K C 1.670 177.868 176.600 -0.670 0.000 1.048 237 K CA 0.265 56.103 56.287 -0.749 0.000 0.948 237 K CB 0.128 31.815 32.500 -1.354 0.000 0.742 237 K HN 0.108 nan 8.250 nan 0.000 0.458 238 N N 0.576 118.867 118.700 -0.682 0.000 2.084 238 N HA -0.129 4.610 4.740 -0.001 0.000 0.190 238 N C 1.651 176.981 175.510 -0.299 0.000 1.030 238 N CA 1.372 54.169 53.050 -0.422 0.000 0.849 238 N CB -0.227 37.824 38.487 -0.727 0.000 1.012 238 N HN 0.097 nan 8.380 nan 0.000 0.423 239 F N 1.418 121.213 119.950 -0.259 0.000 2.234 239 F HA -0.018 4.509 4.527 -0.000 0.000 0.299 239 F C 2.603 178.285 175.800 -0.196 0.000 1.087 239 F CA 0.747 58.591 58.000 -0.261 0.000 1.340 239 F CB -1.152 37.373 39.000 -0.791 0.000 1.031 239 F HN -0.028 nan 8.300 nan 0.000 0.500 240 T N 0.369 114.875 114.554 -0.080 0.000 2.746 240 T HA -0.236 4.113 4.350 -0.001 0.000 0.267 240 T C 1.851 176.563 174.700 0.021 0.000 1.039 240 T CA 1.464 63.534 62.100 -0.051 0.000 1.142 240 T CB -0.595 68.216 68.868 -0.096 0.000 0.866 240 T HN 0.576 nan 8.240 nan 0.000 0.444 241 W N 0.515 121.716 121.300 -0.165 0.000 2.354 241 W HA -0.158 4.502 4.660 0.000 0.000 0.315 241 W C 1.668 178.101 176.519 -0.144 0.000 1.206 241 W CA 0.653 57.873 57.345 -0.207 0.000 1.290 241 W CB -0.696 28.523 29.460 -0.402 0.000 1.152 241 W HN 0.337 nan 8.180 nan 0.000 0.489 242 W N 1.065 122.102 121.300 -0.438 0.000 2.374 242 W HA -0.174 4.485 4.660 -0.001 0.000 0.288 242 W C 2.575 178.913 176.519 -0.301 0.000 1.218 242 W CA 1.476 58.503 57.345 -0.530 0.000 1.245 242 W CB -0.667 28.721 29.460 -0.119 0.000 1.126 242 W HN 0.081 nan 8.180 nan 0.000 0.545 243 E N 1.307 121.556 120.200 0.081 0.000 2.072 243 E HA -0.259 4.091 4.350 -0.001 0.000 0.191 243 E C 2.191 178.772 176.600 -0.031 0.000 0.985 243 E CA 1.353 57.794 56.400 0.069 0.000 0.801 243 E CB -0.201 29.577 29.700 0.131 0.000 0.750 243 E HN 0.165 nan 8.360 nan 0.000 0.452 244 K N -0.176 120.175 120.400 -0.081 0.000 2.057 244 K HA -0.187 4.132 4.320 -0.001 0.000 0.207 244 K C 2.086 178.587 176.600 -0.166 0.000 1.049 244 K CA 1.341 57.574 56.287 -0.090 0.000 0.931 244 K CB -0.346 32.138 32.500 -0.027 0.000 0.714 244 K HN 0.159 nan 8.250 nan 0.000 0.440 245 F N 2.115 121.731 119.950 -0.556 0.000 2.069 245 F HA -0.216 4.310 4.527 -0.001 0.000 0.298 245 F C 2.555 178.202 175.800 -0.255 0.000 1.113 245 F CA 1.828 59.482 58.000 -0.577 0.000 1.214 245 F CB -0.249 38.148 39.000 -1.005 0.000 0.978 245 F HN -0.030 nan 8.300 nan 0.000 0.474 246 R N 0.096 120.515 120.500 -0.136 0.000 2.066 246 R HA -0.176 4.163 4.340 -0.001 0.000 0.232 246 R C 2.295 178.488 176.300 -0.177 0.000 1.131 246 R CA 1.927 57.923 56.100 -0.172 0.000 0.955 246 R CB -0.391 29.855 30.300 -0.089 0.000 0.851 246 R HN 0.455 nan 8.270 nan 0.000 0.432 247 Q N 0.035 119.759 119.800 -0.126 0.000 2.061 247 Q HA -0.201 4.138 4.340 -0.001 0.000 0.204 247 Q C 2.003 177.933 176.000 -0.116 0.000 0.984 247 Q CA 1.967 57.711 55.803 -0.097 0.000 0.846 247 Q CB -0.045 28.656 28.738 -0.062 0.000 0.902 247 Q HN 0.490 nan 8.270 nan 0.000 0.421 248 E N 0.524 120.637 120.200 -0.144 0.000 2.072 248 E HA -0.151 4.198 4.350 -0.001 0.000 0.190 248 E C 2.179 178.685 176.600 -0.157 0.000 0.982 248 E CA 1.188 57.511 56.400 -0.128 0.000 0.803 248 E CB -0.203 29.434 29.700 -0.104 0.000 0.755 248 E HN 0.528 nan 8.360 nan 0.000 0.453 249 I N -0.836 119.573 120.570 -0.268 0.000 2.493 249 I HA -0.121 4.049 4.170 -0.001 0.000 0.254 249 I C 1.587 177.621 176.117 -0.139 0.000 1.160 249 I CA 1.321 62.487 61.300 -0.223 0.000 1.445 249 I CB -0.237 37.547 38.000 -0.360 0.000 1.086 249 I HN -0.095 nan 8.210 nan 0.000 0.433 250 E N 1.300 121.411 120.200 -0.148 0.000 2.511 250 E HA -0.094 4.255 4.350 -0.001 0.000 0.196 250 E C 1.446 177.986 176.600 -0.099 0.000 1.066 250 E CA 0.227 56.552 56.400 -0.126 0.000 0.871 250 E CB 0.029 29.654 29.700 -0.126 0.000 0.863 250 E HN 0.643 nan 8.360 nan 0.000 0.520 251 E N -0.214 119.936 120.200 -0.083 0.000 2.358 251 E HA -0.089 4.261 4.350 -0.001 0.000 0.195 251 E C 1.749 178.319 176.600 -0.050 0.000 1.010 251 E CA 0.338 56.703 56.400 -0.059 0.000 0.856 251 E CB 0.444 30.117 29.700 -0.046 0.000 0.795 251 E HN 0.069 nan 8.360 nan 0.000 0.504 252 V N 1.166 121.048 119.914 -0.052 0.000 2.426 252 V HA -0.062 4.058 4.120 -0.001 0.000 0.242 252 V C 0.688 176.746 176.094 -0.061 0.000 1.036 252 V CA 1.298 63.575 62.300 -0.037 0.000 1.044 252 V CB -0.205 31.610 31.823 -0.013 0.000 0.688 252 V HN 0.253 nan 8.190 nan 0.000 0.462 253 K N -1.440 118.900 120.400 -0.100 0.000 2.772 253 K HA 0.359 4.679 4.320 -0.001 0.000 0.292 253 K C -3.419 173.028 176.600 -0.255 0.000 1.049 253 K CA -1.574 54.620 56.287 -0.156 0.000 0.846 253 K CB 0.885 33.298 32.500 -0.144 0.000 1.514 253 K HN -0.193 nan 8.250 nan 0.000 0.373 254 P HA 0.092 nan 4.420 nan 0.000 0.268 254 P C -0.729 176.053 177.300 -0.864 0.000 1.205 254 P CA -0.536 62.211 63.100 -0.589 0.000 0.771 254 P CB 0.896 32.172 31.700 -0.706 0.000 0.858 255 V N 0.736 120.347 119.914 -0.505 0.000 3.141 255 V HA 0.647 4.766 4.120 -0.001 0.000 0.312 255 V C -1.656 174.564 176.094 0.209 0.000 1.157 255 V CA -1.050 61.126 62.300 -0.207 0.000 1.041 255 V CB 2.167 33.946 31.823 -0.073 0.000 1.071 255 V HN 0.394 nan 8.190 nan 0.000 0.441 256 Y N 1.989 122.421 120.300 0.220 0.000 2.331 256 Y HA 0.804 5.353 4.550 -0.001 0.000 0.334 256 Y C -1.166 174.794 175.900 0.099 0.000 0.960 256 Y CA -1.263 56.961 58.100 0.208 0.000 1.130 256 Y CB 1.526 40.130 38.460 0.241 0.000 1.164 256 Y HN 0.773 nan 8.280 nan 0.000 0.458 257 L N 7.730 128.675 121.223 -0.463 0.000 2.356 257 L HA 0.686 5.025 4.340 -0.001 0.000 0.277 257 L C -1.081 175.464 176.870 -0.542 0.000 0.996 257 L CA -1.231 53.387 54.840 -0.370 0.000 0.822 257 L CB 1.863 43.788 42.059 -0.223 0.000 1.256 257 L HN 0.479 nan 8.230 nan 0.000 0.413 258 V N 2.509 122.118 119.914 -0.508 0.000 2.540 258 V HA 0.889 5.008 4.120 -0.001 0.000 0.302 258 V C -0.096 175.624 176.094 -0.623 0.000 1.035 258 V CA -0.040 61.851 62.300 -0.682 0.000 0.873 258 V CB 1.901 33.141 31.823 -0.971 0.000 0.992 258 V HN 0.804 nan 8.190 nan 0.000 0.428 259 G N 3.867 112.094 108.800 -0.954 0.000 2.481 259 G HA2 0.592 4.551 3.960 -0.001 0.000 0.315 259 G HA3 0.592 4.551 3.960 -0.001 0.000 0.315 259 G C -1.183 173.248 174.900 -0.782 0.000 1.231 259 G CA -0.593 43.831 45.100 -1.127 0.000 0.968 259 G HN 0.857 nan 8.290 nan 0.000 0.482 260 E N 0.460 120.422 120.200 -0.398 0.000 2.146 260 E HA 0.484 4.833 4.350 -0.001 0.000 0.282 260 E C -1.100 175.374 176.600 -0.209 0.000 0.989 260 E CA -0.533 55.848 56.400 -0.033 0.000 0.799 260 E CB 1.409 31.190 29.700 0.134 0.000 1.088 260 E HN 0.128 nan 8.360 nan 0.000 0.397 261 V N 6.250 126.070 119.914 -0.155 0.000 2.443 261 V HA 0.112 4.231 4.120 -0.001 0.000 0.272 261 V C -0.805 175.255 176.094 -0.058 0.000 1.002 261 V CA -0.866 61.293 62.300 -0.234 0.000 0.840 261 V CB 0.840 32.351 31.823 -0.521 0.000 1.042 261 V HN 0.796 nan 8.190 nan 0.000 0.446 262 W N 5.332 126.429 121.300 -0.339 0.000 2.110 262 W HA 0.412 5.071 4.660 -0.000 0.000 0.450 262 W C -0.149 176.224 176.519 -0.243 0.000 0.893 262 W CA 0.542 57.535 57.345 -0.587 0.000 1.688 262 W CB 0.171 29.219 29.460 -0.687 0.000 1.779 262 W HN 0.622 nan 8.180 nan 0.000 0.300 263 D N 2.256 122.748 120.400 0.153 0.000 2.779 263 D HA 0.149 4.788 4.640 -0.001 0.000 0.331 263 D C -0.213 176.185 176.300 0.163 0.000 1.331 263 D CA -0.463 53.626 54.000 0.148 0.000 0.866 263 D CB 1.540 42.411 40.800 0.118 0.000 1.409 263 D HN -0.034 nan 8.370 nan 0.000 0.486 264 I N 0.297 120.951 120.570 0.140 0.000 2.882 264 I HA 0.144 4.313 4.170 -0.001 0.000 0.286 264 I C 1.560 177.773 176.117 0.160 0.000 1.139 264 I CA 0.061 61.444 61.300 0.139 0.000 1.379 264 I CB 0.054 38.125 38.000 0.118 0.000 1.410 264 I HN 0.468 nan 8.210 nan 0.000 0.594 265 S N 2.772 118.556 115.700 0.140 0.000 2.402 265 S HA -0.238 4.231 4.470 -0.001 0.000 0.233 265 S C 1.318 176.047 174.600 0.215 0.000 1.030 265 S CA 1.584 59.880 58.200 0.160 0.000 1.003 265 S CB -0.580 62.552 63.200 -0.114 0.000 0.813 265 S HN 0.799 nan 8.310 nan 0.000 0.477 266 E N 1.058 121.350 120.200 0.153 0.000 2.153 266 E HA -0.021 4.328 4.350 -0.001 0.000 0.194 266 E C 2.171 178.891 176.600 0.199 0.000 0.988 266 E CA 1.617 58.109 56.400 0.153 0.000 0.811 266 E CB -0.635 29.139 29.700 0.124 0.000 0.746 266 E HN 0.648 nan 8.360 nan 0.000 0.466 267 T N -0.425 114.257 114.554 0.214 0.000 2.978 267 T HA -0.015 4.335 4.350 -0.001 0.000 0.262 267 T C 1.914 176.834 174.700 0.368 0.000 1.063 267 T CA 0.645 62.911 62.100 0.276 0.000 1.140 267 T CB 0.017 69.018 68.868 0.221 0.000 0.886 267 T HN -0.030 nan 8.240 nan 0.000 0.470 268 V N 1.919 122.001 119.914 0.279 0.000 2.379 268 V HA -0.083 4.036 4.120 -0.001 0.000 0.245 268 V C 2.925 179.116 176.094 0.161 0.000 1.044 268 V CA 1.399 63.818 62.300 0.200 0.000 1.036 268 V CB -1.298 30.592 31.823 0.112 0.000 0.664 268 V HN 0.484 nan 8.190 nan 0.000 0.453 269 A N 1.527 124.478 122.820 0.217 0.000 1.909 269 A HA -0.242 4.078 4.320 -0.001 0.000 0.221 269 A C 0.834 178.491 177.584 0.122 0.000 1.223 269 A CA 2.685 54.824 52.037 0.170 0.000 0.658 269 A CB -2.228 16.934 19.000 0.270 0.000 0.831 269 A HN 0.585 nan 8.150 nan 0.000 0.462 270 P HA -0.182 nan 4.420 nan 0.000 0.219 270 P C 0.924 178.169 177.300 -0.090 0.000 1.146 270 P CA 1.365 64.402 63.100 -0.105 0.000 0.808 270 P CB -0.338 31.187 31.700 -0.291 0.000 0.779 271 Y N -1.378 118.971 120.300 0.083 0.000 2.333 271 Y HA -0.125 4.424 4.550 -0.001 0.000 0.290 271 Y C 2.252 178.169 175.900 0.028 0.000 1.144 271 Y CA 0.983 59.163 58.100 0.132 0.000 1.228 271 Y CB -1.213 37.153 38.460 -0.156 0.000 0.985 271 Y HN -0.158 nan 8.280 nan 0.000 0.542 272 F N 0.036 120.017 119.950 0.052 0.000 2.293 272 F HA -0.148 4.379 4.527 -0.000 0.000 0.300 272 F C 1.994 177.737 175.800 -0.094 0.000 1.086 272 F CA 1.271 59.250 58.000 -0.034 0.000 1.375 272 F CB -0.335 38.588 39.000 -0.130 0.000 1.045 272 F HN -0.050 nan 8.300 nan 0.000 0.516 273 K N -1.528 118.836 120.400 -0.061 0.000 2.262 273 K HA -0.006 4.313 4.320 -0.001 0.000 0.200 273 K C 0.107 176.384 176.600 -0.539 0.000 1.049 273 K CA 0.653 56.698 56.287 -0.403 0.000 0.979 273 K CB 0.020 32.050 32.500 -0.783 0.000 0.773 273 K HN 0.189 nan 8.250 nan 0.000 0.474 274 Y N -0.142 120.168 120.300 0.017 0.000 2.833 274 Y HA 0.270 4.820 4.550 -0.001 0.000 0.339 274 Y C 1.011 176.975 175.900 0.107 0.000 1.032 274 Y CA -0.210 57.928 58.100 0.063 0.000 1.450 274 Y CB 0.904 39.425 38.460 0.101 0.000 1.296 274 Y HN 0.211 nan 8.280 nan 0.000 0.535 275 G N -1.137 107.722 108.800 0.097 0.000 2.545 275 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.195 275 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.195 275 G C -0.197 174.525 174.900 -0.297 0.000 1.009 275 G CA -0.729 44.320 45.100 -0.084 0.000 0.703 275 G HN 0.107 nan 8.290 nan 0.000 0.479 276 F N 2.311 122.236 119.950 -0.041 0.000 2.404 276 F HA 0.514 5.040 4.527 -0.001 0.000 0.339 276 F C 1.154 176.914 175.800 -0.066 0.000 1.105 276 F CA -0.602 57.307 58.000 -0.151 0.000 1.087 276 F CB 1.360 40.183 39.000 -0.294 0.000 1.143 276 F HN -0.088 nan 8.300 nan 0.000 0.491 277 D N 0.755 121.184 120.400 0.048 0.000 2.137 277 D HA -0.013 4.626 4.640 -0.001 0.000 0.202 277 D C 0.218 176.650 176.300 0.220 0.000 0.970 277 D CA 1.175 55.237 54.000 0.102 0.000 0.837 277 D CB 0.375 41.213 40.800 0.062 0.000 0.981 277 D HN 0.341 nan 8.370 nan 0.000 0.475 278 S N -1.028 114.682 115.700 0.017 0.000 2.632 278 S HA 0.563 5.033 4.470 -0.001 0.000 0.289 278 S C -0.261 174.074 174.600 -0.441 0.000 1.115 278 S CA -0.827 57.383 58.200 0.017 0.000 0.889 278 S CB 2.515 65.704 63.200 -0.020 0.000 1.116 278 S HN 0.187 nan 8.310 nan 0.000 0.486 279 T N -0.720 113.517 114.554 -0.530 0.000 2.916 279 T HA 0.703 5.053 4.350 -0.001 0.000 0.305 279 T C -1.095 173.269 174.700 -0.560 0.000 1.119 279 T CA -0.658 60.970 62.100 -0.786 0.000 1.008 279 T CB 0.375 68.693 68.868 -0.917 0.000 1.129 279 T HN 0.226 nan 8.240 nan 0.000 0.480 280 F N 2.467 122.166 119.950 -0.417 0.000 2.495 280 F HA 0.336 4.862 4.527 -0.001 0.000 0.365 280 F C 1.361 177.055 175.800 -0.178 0.000 1.090 280 F CA -0.814 56.916 58.000 -0.450 0.000 1.235 280 F CB 0.452 38.850 39.000 -1.004 0.000 1.119 280 F HN 0.574 nan 8.300 nan 0.000 0.562 281 N N 4.105 122.947 118.700 0.237 0.000 2.968 281 N HA 0.054 4.793 4.740 -0.001 0.000 0.271 281 N C 0.907 176.464 175.510 0.077 0.000 1.174 281 N CA 0.111 53.283 53.050 0.203 0.000 1.096 281 N CB -0.282 38.331 38.487 0.210 0.000 1.403 281 N HN 0.444 nan 8.380 nan 0.000 0.522 282 F N 1.303 121.337 119.950 0.140 0.000 2.095 282 F HA -0.140 4.386 4.527 -0.001 0.000 0.298 282 F C 2.196 177.945 175.800 -0.085 0.000 1.104 282 F CA 1.069 59.045 58.000 -0.041 0.000 1.232 282 F CB 0.170 39.047 39.000 -0.206 0.000 0.987 282 F HN 0.238 nan 8.300 nan 0.000 0.475 283 K N -0.116 120.387 120.400 0.172 0.000 2.097 283 K HA -0.136 4.184 4.320 -0.001 0.000 0.206 283 K C 2.090 178.679 176.600 -0.018 0.000 1.049 283 K CA 0.899 57.233 56.287 0.078 0.000 0.933 283 K CB -0.971 31.570 32.500 0.068 0.000 0.717 283 K HN 0.237 nan 8.250 nan 0.000 0.442 284 L N 0.973 122.157 121.223 -0.065 0.000 2.156 284 L HA 0.013 4.353 4.340 -0.001 0.000 0.208 284 L C 2.114 178.930 176.870 -0.089 0.000 1.095 284 L CA 1.442 56.226 54.840 -0.093 0.000 0.770 284 L CB -0.696 41.297 42.059 -0.111 0.000 0.914 284 L HN 0.109 nan 8.230 nan 0.000 0.439 285 A N -0.645 122.031 122.820 -0.241 0.000 1.883 285 A HA -0.243 4.077 4.320 -0.001 0.000 0.217 285 A C 2.165 179.628 177.584 -0.203 0.000 1.186 285 A CA 1.875 53.664 52.037 -0.414 0.000 0.624 285 A CB -0.610 17.797 19.000 -0.989 0.000 0.822 285 A HN 0.571 nan 8.150 nan 0.000 0.444 286 E N -0.371 119.764 120.200 -0.108 0.000 2.085 286 E HA -0.151 4.198 4.350 -0.001 0.000 0.194 286 E C 2.288 178.897 176.600 0.015 0.000 0.994 286 E CA 1.046 57.435 56.400 -0.017 0.000 0.801 286 E CB -0.284 29.440 29.700 0.039 0.000 0.743 286 E HN 0.639 nan 8.360 nan 0.000 0.453 287 A N 0.761 123.597 122.820 0.026 0.000 1.898 287 A HA -0.110 4.210 4.320 -0.001 0.000 0.216 287 A C 2.483 180.165 177.584 0.164 0.000 1.181 287 A CA 0.938 53.026 52.037 0.085 0.000 0.620 287 A CB -0.515 18.515 19.000 0.051 0.000 0.819 287 A HN 0.108 nan 8.150 nan 0.000 0.442 288 V N 0.704 120.715 119.914 0.161 0.000 2.295 288 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 288 V C 2.452 178.574 176.094 0.048 0.000 1.049 288 V CA 1.759 64.137 62.300 0.129 0.000 1.024 288 V CB -0.654 31.207 31.823 0.064 0.000 0.648 288 V HN 0.503 nan 8.190 nan 0.000 0.447 289 I N 0.660 121.237 120.570 0.012 0.000 2.179 289 I HA -0.228 3.942 4.170 -0.001 0.000 0.242 289 I C 2.730 178.872 176.117 0.042 0.000 1.088 289 I CA 2.059 63.364 61.300 0.009 0.000 1.357 289 I CB -1.680 36.312 38.000 -0.014 0.000 1.051 289 I HN 0.319 nan 8.210 nan 0.000 0.409 290 A N 0.124 122.982 122.820 0.063 0.000 1.902 290 A HA -0.199 4.120 4.320 -0.001 0.000 0.217 290 A C 2.456 180.108 177.584 0.113 0.000 1.181 290 A CA 2.422 54.511 52.037 0.088 0.000 0.623 290 A CB -1.056 18.003 19.000 0.098 0.000 0.818 290 A HN 0.409 nan 8.150 nan 0.000 0.443 291 T N -0.097 114.534 114.554 0.129 0.000 2.777 291 T HA 0.048 4.398 4.350 -0.001 0.000 0.266 291 T C 2.211 176.960 174.700 0.083 0.000 1.040 291 T CA 1.443 63.630 62.100 0.146 0.000 1.141 291 T CB -0.366 68.612 68.868 0.184 0.000 0.868 291 T HN 0.580 nan 8.240 nan 0.000 0.444 292 A N 1.291 124.142 122.820 0.052 0.000 1.972 292 A HA -0.071 4.248 4.320 -0.001 0.000 0.219 292 A C 2.197 179.807 177.584 0.042 0.000 1.169 292 A CA 1.720 53.779 52.037 0.037 0.000 0.635 292 A CB -0.423 18.589 19.000 0.021 0.000 0.810 292 A HN 0.457 nan 8.150 nan 0.000 0.446 293 K N -0.450 119.977 120.400 0.045 0.000 2.031 293 K HA 0.010 4.330 4.320 -0.001 0.000 0.205 293 K C 2.114 178.735 176.600 0.036 0.000 1.049 293 K CA 1.077 57.390 56.287 0.043 0.000 0.939 293 K CB -0.261 32.268 32.500 0.048 0.000 0.717 293 K HN 0.350 nan 8.250 nan 0.000 0.438 294 A N 0.018 122.869 122.820 0.051 0.000 1.930 294 A HA 0.125 4.444 4.320 -0.001 0.000 0.215 294 A C 1.580 179.035 177.584 -0.214 0.000 1.176 294 A CA 1.395 53.456 52.037 0.040 0.000 0.632 294 A CB -0.477 18.648 19.000 0.209 0.000 0.819 294 A HN 0.583 nan 8.150 nan 0.000 0.445 295 G N -2.940 105.741 108.800 -0.198 0.000 2.141 295 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.231 295 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.231 295 G C -0.141 174.440 174.900 -0.533 0.000 0.984 295 G CA 0.229 45.102 45.100 -0.379 0.000 0.660 295 G HN 0.423 nan 8.290 nan 0.000 0.525 296 F N 0.105 120.123 119.950 0.114 0.000 2.520 296 F HA 0.573 5.099 4.527 -0.001 0.000 0.322 296 F C -1.082 174.827 175.800 0.181 0.000 1.103 296 F CA -2.209 55.874 58.000 0.138 0.000 0.926 296 F CB 2.157 41.239 39.000 0.136 0.000 1.154 296 F HN -0.153 nan 8.300 nan 0.000 0.453 297 P HA -0.086 nan 4.420 nan 0.000 0.240 297 P C 1.815 179.340 177.300 0.375 0.000 1.190 297 P CA 0.662 63.972 63.100 0.351 0.000 0.781 297 P CB 0.104 31.993 31.700 0.315 0.000 0.931 298 F N 2.718 122.809 119.950 0.236 0.000 2.063 298 F HA -0.192 4.334 4.527 -0.001 0.000 0.298 298 F C 2.345 178.236 175.800 0.151 0.000 1.109 298 F CA 2.519 60.618 58.000 0.164 0.000 1.212 298 F CB -1.241 37.822 39.000 0.104 0.000 0.973 298 F HN -0.044 nan 8.300 nan 0.000 0.480 299 G N -0.620 108.252 108.800 0.120 0.000 2.459 299 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.217 299 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.217 299 G C 1.679 176.554 174.900 -0.042 0.000 1.183 299 G CA 0.936 46.027 45.100 -0.015 0.000 0.776 299 G HN 0.489 nan 8.290 nan 0.000 0.552 300 F N 2.330 122.272 119.950 -0.015 0.000 2.102 300 F HA -0.095 4.432 4.527 -0.001 0.000 0.298 300 F C 2.468 178.253 175.800 -0.024 0.000 1.105 300 F CA 1.765 59.767 58.000 0.002 0.000 1.239 300 F CB -0.264 38.783 39.000 0.079 0.000 0.991 300 F HN 0.048 nan 8.300 nan 0.000 0.474 301 N N 1.061 119.751 118.700 -0.017 0.000 2.036 301 N HA -0.248 4.492 4.740 -0.001 0.000 0.195 301 N C 1.943 177.288 175.510 -0.274 0.000 1.037 301 N CA 1.785 54.770 53.050 -0.107 0.000 0.855 301 N CB -0.693 37.822 38.487 0.047 0.000 1.033 301 N HN 0.401 nan 8.380 nan 0.000 0.423 302 K N 0.862 121.031 120.400 -0.384 0.000 2.026 302 K HA -0.135 4.185 4.320 -0.001 0.000 0.208 302 K C 1.901 178.337 176.600 -0.273 0.000 1.048 302 K CA 1.292 57.356 56.287 -0.371 0.000 0.929 302 K CB 0.014 32.160 32.500 -0.591 0.000 0.713 302 K HN -0.122 nan 8.250 nan 0.000 0.439 303 K N 0.670 120.889 120.400 -0.302 0.000 2.057 303 K HA -0.020 4.299 4.320 -0.001 0.000 0.206 303 K C 1.777 178.174 176.600 -0.340 0.000 1.050 303 K CA 1.490 57.627 56.287 -0.250 0.000 0.935 303 K CB -0.443 31.928 32.500 -0.214 0.000 0.715 303 K HN 0.262 nan 8.250 nan 0.000 0.439 304 A N 0.980 123.479 122.820 -0.535 0.000 1.877 304 A HA -0.207 4.113 4.320 -0.001 0.000 0.216 304 A C 1.963 179.349 177.584 -0.331 0.000 1.186 304 A CA 1.978 53.647 52.037 -0.613 0.000 0.620 304 A CB -0.491 18.018 19.000 -0.817 0.000 0.822 304 A HN 0.353 nan 8.150 nan 0.000 0.443 305 K N -1.533 118.751 120.400 -0.192 0.000 2.063 305 K HA -0.214 4.106 4.320 -0.001 0.000 0.208 305 K C 2.117 178.678 176.600 -0.066 0.000 1.048 305 K CA 1.742 57.993 56.287 -0.060 0.000 0.928 305 K CB -0.345 32.128 32.500 -0.044 0.000 0.713 305 K HN 0.737 nan 8.250 nan 0.000 0.442 306 H N 1.069 120.023 119.070 -0.194 0.000 2.299 306 H HA -0.017 4.538 4.556 -0.001 0.000 0.302 306 H C 1.823 177.002 175.328 -0.248 0.000 1.078 306 H CA 1.740 57.680 56.048 -0.179 0.000 1.323 306 H CB -0.114 29.545 29.762 -0.173 0.000 1.381 306 H HN 0.055 nan 8.280 nan 0.000 0.498 307 I N -0.458 119.840 120.570 -0.454 0.000 2.142 307 I HA -0.313 3.856 4.170 -0.001 0.000 0.240 307 I C 1.794 177.427 176.117 -0.806 0.000 1.078 307 I CA 1.333 62.188 61.300 -0.741 0.000 1.343 307 I CB -0.462 37.074 38.000 -0.774 0.000 1.046 307 I HN 0.292 nan 8.210 nan 0.000 0.405 308 Y N 1.193 121.261 120.300 -0.387 0.000 2.274 308 Y HA -0.106 4.444 4.550 -0.001 0.000 0.290 308 Y C 2.604 178.419 175.900 -0.142 0.000 1.145 308 Y CA 0.971 58.950 58.100 -0.203 0.000 1.203 308 Y CB -1.421 37.006 38.460 -0.055 0.000 0.984 308 Y HN 0.118 nan 8.280 nan 0.000 0.533 309 G N -0.547 108.216 108.800 -0.062 0.000 2.402 309 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.216 309 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.216 309 G C 1.849 176.691 174.900 -0.097 0.000 1.162 309 G CA 1.257 46.324 45.100 -0.056 0.000 0.777 309 G HN 0.282 nan 8.290 nan 0.000 0.539 310 V N 0.187 119.945 119.914 -0.261 0.000 2.343 310 V HA -0.178 3.941 4.120 -0.001 0.000 0.247 310 V C 2.522 178.632 176.094 0.027 0.000 1.051 310 V CA 1.370 63.560 62.300 -0.183 0.000 1.036 310 V CB -0.677 30.952 31.823 -0.322 0.000 0.654 310 V HN 0.381 nan 8.190 nan 0.000 0.451 311 Y N 0.514 120.715 120.300 -0.165 0.000 2.242 311 Y HA -0.137 4.412 4.550 -0.001 0.000 0.291 311 Y C 2.508 178.328 175.900 -0.133 0.000 1.137 311 Y CA 0.812 58.721 58.100 -0.318 0.000 1.181 311 Y CB -1.010 36.927 38.460 -0.870 0.000 0.989 311 Y HN 0.352 nan 8.280 nan 0.000 0.527 312 D N -0.434 120.095 120.400 0.214 0.000 2.178 312 D HA -0.122 4.518 4.640 -0.001 0.000 0.202 312 D C 2.331 178.722 176.300 0.151 0.000 0.974 312 D CA 0.914 55.075 54.000 0.270 0.000 0.841 312 D CB -0.200 40.747 40.800 0.245 0.000 0.953 312 D HN 0.270 nan 8.370 nan 0.000 0.478 313 R N 0.719 121.276 120.500 0.095 0.000 2.073 313 R HA -0.043 4.297 4.340 -0.001 0.000 0.229 313 R C 1.959 178.293 176.300 0.057 0.000 1.120 313 R CA 1.062 57.200 56.100 0.063 0.000 0.967 313 R CB 0.103 30.425 30.300 0.037 0.000 0.862 313 R HN 0.082 nan 8.270 nan 0.000 0.436 314 E N -0.594 119.644 120.200 0.063 0.000 2.250 314 E HA -0.040 4.309 4.350 -0.001 0.000 0.192 314 E C 1.322 177.939 176.600 0.028 0.000 0.986 314 E CA 0.655 57.083 56.400 0.046 0.000 0.849 314 E CB 0.603 30.340 29.700 0.062 0.000 0.797 314 E HN 0.216 nan 8.360 nan 0.000 0.482 315 V N -0.842 119.100 119.914 0.048 0.000 3.219 315 V HA 0.306 4.425 4.120 -0.001 0.000 0.240 315 V C 0.607 176.747 176.094 0.077 0.000 1.222 315 V CA 0.414 62.736 62.300 0.037 0.000 1.181 315 V CB 0.939 32.770 31.823 0.014 0.000 0.941 315 V HN 0.330 nan 8.190 nan 0.000 0.471 316 G N 1.059 109.950 108.800 0.152 0.000 3.209 316 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.686 316 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.686 316 G C -0.637 174.365 174.900 0.171 0.000 1.065 316 G CA -0.425 44.764 45.100 0.149 0.000 0.812 316 G HN 0.372 nan 8.290 nan 0.000 0.573 317 F N 2.890 122.875 119.950 0.059 0.000 2.629 317 F HA 0.398 4.925 4.527 -0.001 0.000 0.377 317 F C 1.630 177.294 175.800 -0.226 0.000 1.101 317 F CA 1.885 59.817 58.000 -0.113 0.000 1.301 317 F CB 0.825 39.761 39.000 -0.108 0.000 1.062 317 F HN 2.186 nan 8.300 nan 0.000 0.583 318 G N 3.982 111.898 108.800 -1.473 0.000 2.217 318 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.246 318 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.246 318 G C 0.634 175.199 174.900 -0.559 0.000 0.990 318 G CA 0.279 44.765 45.100 -1.023 0.000 0.627 318 G HN 0.642 nan 8.290 nan 0.000 0.522 319 N N -0.144 118.287 118.700 -0.448 0.000 2.238 319 N HA 0.336 5.076 4.740 -0.001 0.000 0.222 319 N C -0.191 175.209 175.510 -0.182 0.000 1.133 319 N CA 0.727 53.644 53.050 -0.222 0.000 0.854 319 N CB 0.310 38.737 38.487 -0.099 0.000 1.041 319 N HN 0.826 nan 8.380 nan 0.000 0.510 320 Y N -2.164 117.895 120.300 -0.401 0.000 2.552 320 Y HA 0.605 5.155 4.550 -0.001 0.000 0.337 320 Y C -1.270 174.389 175.900 -0.401 0.000 1.094 320 Y CA -1.292 56.436 58.100 -0.619 0.000 1.028 320 Y CB 0.833 38.426 38.460 -1.445 0.000 1.321 320 Y HN -0.223 nan 8.280 nan 0.000 0.456 321 I N 3.722 124.273 120.570 -0.033 0.000 2.428 321 I HA 0.198 4.367 4.170 -0.001 0.000 0.279 321 I C -0.592 175.729 176.117 0.341 0.000 1.040 321 I CA -0.469 60.911 61.300 0.133 0.000 1.171 321 I CB 0.863 38.958 38.000 0.159 0.000 1.312 321 I HN 0.691 nan 8.210 nan 0.000 0.470 322 D N 4.952 125.594 120.400 0.403 0.000 2.368 322 D HA 0.319 4.958 4.640 -0.001 0.000 0.240 322 D C 0.013 176.570 176.300 0.428 0.000 1.169 322 D CA 0.112 54.420 54.000 0.513 0.000 0.906 322 D CB 1.285 42.453 40.800 0.615 0.000 1.187 322 D HN 0.593 nan 8.370 nan 0.000 0.435 323 A N 3.250 126.283 122.820 0.356 0.000 2.938 323 A HA 0.404 4.724 4.320 -0.001 0.000 0.344 323 A C -2.490 175.381 177.584 0.478 0.000 1.142 323 A CA -1.241 51.013 52.037 0.362 0.000 0.841 323 A CB 0.611 19.547 19.000 -0.107 0.000 1.083 323 A HN 0.427 nan 8.150 nan 0.000 0.479 324 P HA 0.562 nan 4.420 nan 0.000 0.274 324 P C -0.698 176.991 177.300 0.649 0.000 1.231 324 P CA 0.149 63.554 63.100 0.508 0.000 0.790 324 P CB 0.752 32.739 31.700 0.478 0.000 0.951 325 F N -0.710 119.289 119.950 0.081 0.000 2.817 325 F HA 0.414 4.941 4.527 -0.001 0.000 0.317 325 F C -0.180 175.337 175.800 -0.472 0.000 1.168 325 F CA -0.960 56.913 58.000 -0.212 0.000 0.911 325 F CB 0.178 39.154 39.000 -0.039 0.000 1.337 325 F HN 0.050 nan 8.300 nan 0.000 0.464 326 L N 0.380 121.225 121.223 -0.630 0.000 2.379 326 L HA 0.373 4.713 4.340 -0.001 0.000 0.190 326 L C 0.568 177.222 176.870 -0.361 0.000 1.111 326 L CA 0.944 55.461 54.840 -0.539 0.000 0.820 326 L CB 0.293 42.143 42.059 -0.348 0.000 1.046 326 L HN 0.919 nan 8.230 nan 0.000 0.485 327 T N -1.935 112.624 114.554 0.008 0.000 2.868 327 T HA 0.505 4.855 4.350 -0.001 0.000 0.306 327 T C -0.892 173.819 174.700 0.019 0.000 1.224 327 T CA -0.911 61.234 62.100 0.075 0.000 1.012 327 T CB 2.519 71.377 68.868 -0.016 0.000 1.221 327 T HN 0.242 nan 8.240 nan 0.000 0.499 328 N N -0.987 117.555 118.700 -0.264 0.000 3.294 328 N HA 0.298 5.037 4.740 -0.001 0.000 0.355 328 N C 1.038 175.872 175.510 -1.126 0.000 1.497 328 N CA -0.572 52.046 53.050 -0.720 0.000 0.707 328 N CB -0.168 37.907 38.487 -0.688 0.000 1.732 328 N HN 0.881 nan 8.380 nan 0.000 0.640 329 H N -2.042 116.400 119.070 -1.047 0.000 2.560 329 H HA 0.078 4.633 4.556 -0.001 0.000 0.283 329 H C -0.647 174.359 175.328 -0.536 0.000 1.028 329 H CA 0.900 56.506 56.048 -0.737 0.000 1.221 329 H CB -0.239 29.293 29.762 -0.384 0.000 1.363 329 H HN 0.490 nan 8.280 nan 0.000 0.594 330 D N 0.533 120.383 120.400 -0.916 0.000 2.398 330 D HA 0.134 4.773 4.640 -0.001 0.000 0.210 330 D C 0.112 176.280 176.300 -0.220 0.000 1.094 330 D CA 0.066 53.650 54.000 -0.694 0.000 0.839 330 D CB 0.840 41.385 40.800 -0.425 0.000 0.963 330 D HN 0.544 nan 8.370 nan 0.000 0.506 331 Q N 0.072 119.754 119.800 -0.197 0.000 2.433 331 Q HA 0.347 4.686 4.340 -0.001 0.000 0.279 331 Q C -0.496 175.486 176.000 -0.029 0.000 1.105 331 Q CA -0.949 54.842 55.803 -0.020 0.000 0.815 331 Q CB 1.615 30.372 28.738 0.031 0.000 1.403 331 Q HN -0.163 nan 8.270 nan 0.000 0.435 332 N N 1.653 120.362 118.700 0.015 0.000 2.458 332 N HA 0.030 4.769 4.740 -0.001 0.000 0.258 332 N C -0.404 175.107 175.510 0.000 0.000 1.219 332 N CA 0.374 53.425 53.050 0.001 0.000 0.902 332 N CB 0.491 38.975 38.487 -0.004 0.000 1.076 332 N HN 0.300 nan 8.380 nan 0.000 0.455 333 R N 1.495 122.003 120.500 0.013 0.000 2.698 333 R HA -0.013 4.326 4.340 -0.001 0.000 0.266 333 R C 1.842 178.162 176.300 0.033 0.000 1.026 333 R CA -0.151 55.976 56.100 0.046 0.000 1.102 333 R CB 0.600 30.939 30.300 0.064 0.000 0.978 333 R HN 0.638 nan 8.270 nan 0.000 0.436 334 I N 2.471 123.071 120.570 0.050 0.000 2.194 334 I HA -0.326 3.843 4.170 -0.001 0.000 0.246 334 I C 1.845 177.988 176.117 0.043 0.000 1.093 334 I CA 1.506 62.830 61.300 0.039 0.000 1.355 334 I CB -0.005 38.028 38.000 0.055 0.000 1.046 334 I HN 0.599 nan 8.210 nan 0.000 0.413 335 L N 1.416 122.676 121.223 0.061 0.000 2.012 335 L HA -0.281 4.058 4.340 -0.001 0.000 0.210 335 L C 1.802 178.693 176.870 0.034 0.000 1.073 335 L CA 2.327 57.205 54.840 0.062 0.000 0.748 335 L CB -0.995 41.126 42.059 0.103 0.000 0.891 335 L HN 0.288 nan 8.230 nan 0.000 0.431 336 D N -1.147 119.259 120.400 0.010 0.000 2.117 336 D HA -0.207 4.432 4.640 -0.001 0.000 0.197 336 D C 2.128 178.424 176.300 -0.007 0.000 0.987 336 D CA 1.256 55.244 54.000 -0.019 0.000 0.829 336 D CB -0.126 40.641 40.800 -0.054 0.000 0.961 336 D HN 0.495 nan 8.370 nan 0.000 0.460 337 Q N -0.370 119.431 119.800 0.003 0.000 2.364 337 Q HA 0.005 4.344 4.340 -0.001 0.000 0.207 337 Q C 1.021 177.029 176.000 0.014 0.000 0.970 337 Q CA 0.557 56.365 55.803 0.008 0.000 0.888 337 Q CB 0.187 28.931 28.738 0.009 0.000 0.951 337 Q HN 0.388 nan 8.270 nan 0.000 0.469 338 L N -0.387 120.845 121.223 0.015 0.000 2.928 338 L HA 0.275 4.614 4.340 -0.001 0.000 0.246 338 L C 0.723 177.601 176.870 0.014 0.000 1.239 338 L CA -0.130 54.719 54.840 0.015 0.000 1.035 338 L CB 0.133 42.198 42.059 0.011 0.000 1.360 338 L HN 0.213 nan 8.230 nan 0.000 0.529 339 G N 0.289 109.097 108.800 0.014 0.000 2.225 339 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.267 339 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.267 339 G C 0.518 175.431 174.900 0.021 0.000 1.024 339 G CA 0.447 45.556 45.100 0.015 0.000 0.784 339 G HN 0.602 nan 8.290 nan 0.000 0.507 340 Q N -1.316 118.500 119.800 0.028 0.000 2.475 340 Q HA -0.210 4.130 4.340 -0.001 0.000 0.280 340 Q C -0.066 175.968 176.000 0.057 0.000 1.234 340 Q CA 1.262 57.102 55.803 0.061 0.000 0.873 340 Q CB -0.785 27.996 28.738 0.071 0.000 1.256 340 Q HN 0.695 nan 8.270 nan 0.000 0.475 341 D N -0.154 120.256 120.400 0.016 0.000 2.428 341 D HA 0.143 4.783 4.640 -0.001 0.000 0.221 341 D C 0.882 177.142 176.300 -0.067 0.000 1.123 341 D CA -0.225 53.756 54.000 -0.031 0.000 0.869 341 D CB 0.558 41.325 40.800 -0.056 0.000 1.032 341 D HN 0.191 nan 8.370 nan 0.000 0.506 342 R N 2.428 122.892 120.500 -0.059 0.000 2.159 342 R HA -0.104 4.235 4.340 -0.001 0.000 0.237 342 R C 1.510 177.711 176.300 -0.165 0.000 1.131 342 R CA 0.932 56.990 56.100 -0.070 0.000 0.982 342 R CB 0.178 30.442 30.300 -0.060 0.000 0.868 342 R HN 0.473 nan 8.270 nan 0.000 0.453 343 N N 0.803 119.316 118.700 -0.312 0.000 2.142 343 N HA -0.139 4.600 4.740 -0.001 0.000 0.186 343 N C 1.382 176.489 175.510 -0.672 0.000 1.023 343 N CA 1.194 53.874 53.050 -0.616 0.000 0.852 343 N CB -0.064 37.760 38.487 -1.105 0.000 0.998 343 N HN 0.264 nan 8.380 nan 0.000 0.424 344 K N 0.996 121.087 120.400 -0.514 0.000 2.148 344 K HA 0.078 4.398 4.320 -0.001 0.000 0.204 344 K C 2.069 178.612 176.600 -0.095 0.000 1.050 344 K CA 0.904 57.043 56.287 -0.245 0.000 0.942 344 K CB -0.038 32.395 32.500 -0.113 0.000 0.724 344 K HN 0.105 nan 8.250 nan 0.000 0.446 345 A N 1.629 124.410 122.820 -0.065 0.000 1.969 345 A HA -0.157 4.163 4.320 -0.001 0.000 0.218 345 A C 2.091 179.724 177.584 0.082 0.000 1.169 345 A CA 1.139 53.200 52.037 0.040 0.000 0.635 345 A CB -0.373 18.671 19.000 0.074 0.000 0.810 345 A HN 0.197 nan 8.150 nan 0.000 0.445 346 R N -0.318 120.176 120.500 -0.009 0.000 2.075 346 R HA -0.087 4.252 4.340 -0.001 0.000 0.232 346 R C 1.895 178.216 176.300 0.035 0.000 1.126 346 R CA 1.753 57.828 56.100 -0.040 0.000 0.963 346 R CB -0.344 29.801 30.300 -0.259 0.000 0.858 346 R HN 0.312 nan 8.270 nan 0.000 0.435 347 V N 1.065 120.985 119.914 0.011 0.000 2.343 347 V HA -0.204 3.915 4.120 -0.001 0.000 0.247 347 V C 2.489 178.597 176.094 0.023 0.000 1.051 347 V CA 1.856 64.193 62.300 0.061 0.000 1.036 347 V CB -0.733 31.150 31.823 0.100 0.000 0.654 347 V HN 0.520 nan 8.190 nan 0.000 0.451 348 A N 0.066 122.911 122.820 0.042 0.000 1.940 348 A HA -0.133 4.187 4.320 -0.001 0.000 0.219 348 A C 2.420 180.106 177.584 0.169 0.000 1.176 348 A CA 2.138 54.211 52.037 0.059 0.000 0.631 348 A CB -0.719 18.322 19.000 0.067 0.000 0.814 348 A HN 0.571 nan 8.150 nan 0.000 0.446 349 A N -0.547 122.388 122.820 0.191 0.000 1.873 349 A HA -0.051 4.269 4.320 -0.001 0.000 0.215 349 A C 2.439 179.980 177.584 -0.071 0.000 1.186 349 A CA 1.999 54.117 52.037 0.136 0.000 0.616 349 A CB -0.889 18.026 19.000 -0.141 0.000 0.823 349 A HN 0.459 nan 8.150 nan 0.000 0.442 350 S N -0.027 115.685 115.700 0.020 0.000 2.370 350 S HA -0.131 4.339 4.470 -0.001 0.000 0.226 350 S C 1.802 176.325 174.600 -0.127 0.000 1.033 350 S CA 1.507 59.710 58.200 0.005 0.000 1.011 350 S CB -0.520 62.833 63.200 0.254 0.000 0.852 350 S HN 0.536 nan 8.310 nan 0.000 0.457 351 I N 0.754 121.124 120.570 -0.333 0.000 2.113 351 I HA -0.235 3.935 4.170 -0.001 0.000 0.238 351 I C 2.491 178.645 176.117 0.062 0.000 1.070 351 I CA 1.834 62.897 61.300 -0.396 0.000 1.332 351 I CB -0.566 37.189 38.000 -0.408 0.000 1.044 351 I HN 0.461 nan 8.210 nan 0.000 0.402 352 Y N 1.007 121.299 120.300 -0.013 0.000 2.352 352 Y HA -0.016 4.534 4.550 -0.001 0.000 0.292 352 Y C 1.959 177.920 175.900 0.102 0.000 1.136 352 Y CA 0.997 59.151 58.100 0.090 0.000 1.227 352 Y CB -0.619 37.902 38.460 0.102 0.000 0.991 352 Y HN 0.020 nan 8.280 nan 0.000 0.545 353 L N 1.211 122.163 121.223 -0.452 0.000 2.610 353 L HA 0.012 4.351 4.340 -0.001 0.000 0.232 353 L C 1.287 178.019 176.870 -0.231 0.000 1.149 353 L CA 1.165 55.709 54.840 -0.492 0.000 0.872 353 L CB -0.400 41.287 42.059 -0.620 0.000 0.992 353 L HN 0.515 nan 8.230 nan 0.000 0.447 354 T N -4.103 110.472 114.554 0.035 0.000 3.132 354 T HA 0.332 4.681 4.350 -0.001 0.000 0.274 354 T C 0.430 175.404 174.700 0.458 0.000 1.011 354 T CA -0.301 61.972 62.100 0.288 0.000 0.899 354 T CB 0.070 69.241 68.868 0.505 0.000 1.089 354 T HN -0.034 nan 8.240 nan 0.000 0.543 355 L N 2.246 123.617 121.223 0.247 0.000 2.416 355 L HA 0.519 4.858 4.340 -0.001 0.000 0.262 355 L C -2.027 174.917 176.870 0.123 0.000 1.093 355 L CA -2.804 52.125 54.840 0.149 0.000 0.801 355 L CB 0.742 42.950 42.059 0.250 0.000 1.191 355 L HN -0.029 nan 8.230 nan 0.000 0.459 356 P HA 0.243 nan 4.420 nan 0.000 0.274 356 P C 0.045 177.467 177.300 0.202 0.000 1.231 356 P CA 0.335 63.473 63.100 0.064 0.000 0.790 356 P CB 1.187 32.858 31.700 -0.049 0.000 0.951 357 G N 2.026 110.961 108.800 0.225 0.000 2.512 357 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.210 357 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.210 357 G C -1.022 174.145 174.900 0.446 0.000 1.295 357 G CA -0.603 44.704 45.100 0.346 0.000 0.934 357 G HN 0.589 nan 8.290 nan 0.000 0.554 358 N N 2.475 121.457 118.700 0.469 0.000 2.546 358 N HA 0.566 5.305 4.740 -0.001 0.000 0.238 358 N C -2.715 173.127 175.510 0.554 0.000 0.984 358 N CA -1.044 52.304 53.050 0.496 0.000 0.935 358 N CB 1.576 40.329 38.487 0.444 0.000 1.122 358 N HN 0.241 nan 8.380 nan 0.000 0.510 359 P HA 0.180 nan 4.420 nan 0.000 0.271 359 P C -0.728 176.936 177.300 0.607 0.000 1.216 359 P CA 0.093 63.533 63.100 0.568 0.000 0.776 359 P CB 0.392 32.258 31.700 0.277 0.000 0.881 360 F N 2.622 122.958 119.950 0.644 0.000 2.449 360 F HA 0.386 4.912 4.527 -0.001 0.000 0.342 360 F C 0.093 176.240 175.800 0.577 0.000 1.127 360 F CA -0.514 57.839 58.000 0.589 0.000 0.975 360 F CB 0.764 40.093 39.000 0.548 0.000 1.146 360 F HN 0.071 nan 8.300 nan 0.000 0.444 361 I N 4.514 125.437 120.570 0.588 0.000 2.359 361 I HA 0.175 4.345 4.170 -0.001 0.000 0.294 361 I C -0.690 175.578 176.117 0.252 0.000 0.987 361 I CA -1.017 60.582 61.300 0.498 0.000 1.225 361 I CB 0.632 38.933 38.000 0.502 0.000 1.366 361 I HN 0.363 nan 8.210 nan 0.000 0.466 362 Y N 7.758 128.089 120.300 0.053 0.000 2.336 362 Y HA 0.299 4.848 4.550 -0.001 0.000 0.335 362 Y C -0.067 175.684 175.900 -0.248 0.000 1.046 362 Y CA -1.560 56.473 58.100 -0.112 0.000 1.198 362 Y CB 0.302 38.721 38.460 -0.069 0.000 1.182 362 Y HN 0.570 nan 8.280 nan 0.000 0.502 363 Y N 4.701 124.513 120.300 -0.813 0.000 2.895 363 Y HA 0.298 4.847 4.550 -0.001 0.000 0.334 363 Y C 1.079 176.817 175.900 -0.270 0.000 1.261 363 Y CA 0.338 58.058 58.100 -0.632 0.000 1.560 363 Y CB 0.055 38.250 38.460 -0.442 0.000 1.253 363 Y HN 0.964 nan 8.280 nan 0.000 0.582 364 G N 2.442 111.292 108.800 0.085 0.000 2.284 364 G HA2 -0.394 3.566 3.960 -0.001 0.000 0.230 364 G HA3 -0.394 3.566 3.960 -0.001 0.000 0.230 364 G C 1.083 175.932 174.900 -0.084 0.000 1.021 364 G CA 0.424 45.527 45.100 0.004 0.000 0.619 364 G HN 0.813 nan 8.290 nan 0.000 0.510 365 E N 1.057 121.186 120.200 -0.118 0.000 2.118 365 E HA -0.216 4.133 4.350 -0.001 0.000 0.195 365 E C 2.291 178.767 176.600 -0.205 0.000 0.992 365 E CA 1.689 58.055 56.400 -0.056 0.000 0.804 365 E CB -0.198 29.537 29.700 0.060 0.000 0.741 365 E HN 0.691 nan 8.360 nan 0.000 0.458 366 E N 1.244 121.237 120.200 -0.345 0.000 2.409 366 E HA -0.177 4.173 4.350 -0.001 0.000 0.198 366 E C 1.834 178.314 176.600 -0.200 0.000 1.024 366 E CA 1.136 57.133 56.400 -0.672 0.000 0.861 366 E CB -0.398 29.057 29.700 -0.408 0.000 0.788 366 E HN 0.663 nan 8.360 nan 0.000 0.521 367 I N -4.026 116.497 120.570 -0.079 0.000 4.025 367 I HA 0.513 4.683 4.170 -0.001 0.000 0.336 367 I C 0.927 176.996 176.117 -0.080 0.000 1.390 367 I CA -0.027 61.231 61.300 -0.070 0.000 1.099 367 I CB 0.621 38.529 38.000 -0.153 0.000 1.049 367 I HN -0.002 nan 8.210 nan 0.000 0.394 368 G N 2.420 111.199 108.800 -0.036 0.000 2.256 368 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.272 368 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.272 368 G C 0.003 174.958 174.900 0.093 0.000 1.076 368 G CA 0.080 45.194 45.100 0.023 0.000 0.882 368 G HN 0.438 nan 8.290 nan 0.000 0.497 369 M N -0.354 119.271 119.600 0.042 0.000 2.240 369 M HA 0.383 4.863 4.480 -0.001 0.000 0.333 369 M C 1.228 177.602 176.300 0.124 0.000 1.110 369 M CA 0.170 55.525 55.300 0.092 0.000 1.173 369 M CB 0.576 33.141 32.600 -0.058 0.000 1.458 369 M HN 0.574 nan 8.290 nan 0.000 0.458 370 R N 0.773 121.329 120.500 0.093 0.000 2.892 370 R HA 0.942 5.281 4.340 -0.001 0.000 0.265 370 R C -0.792 175.457 176.300 -0.085 0.000 1.025 370 R CA -1.015 55.066 56.100 -0.033 0.000 0.982 370 R CB 1.709 31.883 30.300 -0.210 0.000 1.185 370 R HN 0.807 nan 8.270 nan 0.000 0.484 371 G N 1.082 109.798 108.800 -0.140 0.000 2.318 371 G HA2 0.253 4.212 3.960 -0.001 0.000 0.306 371 G HA3 0.253 4.212 3.960 -0.001 0.000 0.306 371 G C -1.862 172.941 174.900 -0.163 0.000 1.696 371 G CA -0.824 44.161 45.100 -0.191 0.000 0.905 371 G HN 0.837 nan 8.290 nan 0.000 0.700 372 Q N 1.190 120.839 119.800 -0.251 0.000 2.511 372 Q HA 0.820 5.160 4.340 -0.001 0.000 0.289 372 Q C 0.598 176.516 176.000 -0.136 0.000 1.021 372 Q CA -0.358 55.355 55.803 -0.151 0.000 0.785 372 Q CB 2.090 30.738 28.738 -0.151 0.000 1.472 372 Q HN 2.466 nan 8.270 nan 0.000 0.411 373 G N 0.557 109.319 108.800 -0.063 0.000 2.596 373 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.258 373 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.258 373 G C -2.313 172.581 174.900 -0.010 0.000 1.207 373 G CA -0.291 44.781 45.100 -0.047 0.000 0.954 373 G HN 0.668 nan 8.290 nan 0.000 0.551 374 P HA 0.314 nan 4.420 nan 0.000 0.266 374 P C 0.592 177.976 177.300 0.140 0.000 1.195 374 P CA 0.275 63.385 63.100 0.016 0.000 0.768 374 P CB 0.049 31.764 31.700 0.025 0.000 0.838 375 H N 0.831 119.941 119.070 0.067 0.000 2.457 375 H HA -0.167 4.389 4.556 -0.001 0.000 0.297 375 H C 1.281 176.751 175.328 0.237 0.000 1.092 375 H CA 0.907 57.027 56.048 0.120 0.000 1.309 375 H CB 0.265 30.095 29.762 0.112 0.000 1.382 375 H HN 0.548 nan 8.280 nan 0.000 0.535 376 E N 0.172 120.582 120.200 0.350 0.000 2.110 376 E HA -0.117 4.232 4.350 -0.001 0.000 0.193 376 E C 2.296 179.060 176.600 0.274 0.000 0.988 376 E CA 0.801 57.390 56.400 0.315 0.000 0.804 376 E CB 0.003 29.749 29.700 0.077 0.000 0.745 376 E HN 0.192 nan 8.360 nan 0.000 0.458 377 V N 0.516 120.542 119.914 0.186 0.000 2.379 377 V HA -0.193 3.926 4.120 -0.001 0.000 0.245 377 V C 1.823 178.015 176.094 0.164 0.000 1.044 377 V CA 1.151 63.540 62.300 0.148 0.000 1.036 377 V CB -0.269 31.586 31.823 0.052 0.000 0.664 377 V HN 0.229 nan 8.190 nan 0.000 0.453 378 I N -0.031 120.644 120.570 0.176 0.000 2.567 378 I HA -0.131 4.038 4.170 -0.001 0.000 0.257 378 I C 1.846 178.162 176.117 0.331 0.000 1.184 378 I CA 1.407 62.823 61.300 0.193 0.000 1.451 378 I CB -0.501 37.584 38.000 0.141 0.000 1.089 378 I HN 0.196 nan 8.210 nan 0.000 0.441 379 R N 0.309 121.060 120.500 0.419 0.000 2.694 379 R HA 0.220 4.560 4.340 -0.001 0.000 0.334 379 R C 0.208 176.985 176.300 0.794 0.000 1.143 379 R CA -0.162 56.324 56.100 0.644 0.000 1.073 379 R CB 0.013 30.613 30.300 0.500 0.000 1.366 379 R HN 0.355 nan 8.270 nan 0.000 0.577 380 E N 1.632 122.129 120.200 0.495 0.000 2.425 380 E HA 0.041 4.391 4.350 -0.001 0.000 0.258 380 E C -2.266 174.624 176.600 0.483 0.000 1.151 380 E CA -1.695 54.921 56.400 0.361 0.000 0.958 380 E CB 0.380 30.197 29.700 0.194 0.000 0.968 380 E HN -0.093 nan 8.360 nan 0.000 0.451 381 P HA -0.101 nan 4.420 nan 0.000 0.265 381 P C -0.671 176.833 177.300 0.340 0.000 1.193 381 P CA 0.409 63.728 63.100 0.367 0.000 0.765 381 P CB 0.183 31.999 31.700 0.193 0.000 0.823 382 F N 3.586 123.678 119.950 0.237 0.000 2.529 382 F HA 0.051 4.577 4.527 -0.001 0.000 0.365 382 F C 0.685 176.357 175.800 -0.212 0.000 1.102 382 F CA 0.218 58.231 58.000 0.021 0.000 1.271 382 F CB 0.476 39.420 39.000 -0.095 0.000 1.120 382 F HN 0.229 nan 8.300 nan 0.000 0.579 383 Q N 6.540 125.826 119.800 -0.857 0.000 2.406 383 Q HA 0.020 4.360 4.340 -0.001 0.000 0.242 383 Q C -0.171 175.350 176.000 -0.798 0.000 1.036 383 Q CA 0.185 55.629 55.803 -0.598 0.000 0.904 383 Q CB 0.546 29.049 28.738 -0.392 0.000 1.244 383 Q HN 0.960 nan 8.270 nan 0.000 0.478 384 W N 1.393 122.465 121.300 -0.381 0.000 2.539 384 W HA 0.016 4.675 4.660 -0.001 0.000 0.281 384 W C 0.050 176.185 176.519 -0.640 0.000 1.220 384 W CA 0.214 57.211 57.345 -0.580 0.000 1.332 384 W CB 0.541 29.467 29.460 -0.890 0.000 1.095 384 W HN 0.463 nan 8.180 nan 0.000 0.571 385 Y N -0.723 119.690 120.300 0.189 0.000 2.598 385 Y HA 0.258 4.807 4.550 -0.001 0.000 0.340 385 Y C 1.228 177.153 175.900 0.042 0.000 1.038 385 Y CA -1.704 56.463 58.100 0.111 0.000 1.100 385 Y CB 0.082 38.612 38.460 0.117 0.000 1.281 385 Y HN -0.307 nan 8.280 nan 0.000 0.488 386 N N 0.248 119.068 118.700 0.200 0.000 2.058 386 N HA -0.096 4.643 4.740 -0.001 0.000 0.191 386 N C 0.898 176.466 175.510 0.097 0.000 1.037 386 N CA 1.505 54.614 53.050 0.098 0.000 0.848 386 N CB -0.141 38.388 38.487 0.070 0.000 1.021 386 N HN 0.968 nan 8.380 nan 0.000 0.422 387 G N -0.549 108.317 108.800 0.110 0.000 3.075 387 G HA2 0.372 4.332 3.960 -0.001 0.000 0.156 387 G HA3 0.372 4.332 3.960 -0.001 0.000 0.156 387 G C -0.544 174.423 174.900 0.111 0.000 1.403 387 G CA -0.223 44.921 45.100 0.074 0.000 1.033 387 G HN 0.247 nan 8.290 nan 0.000 0.589 388 S N -1.268 114.460 115.700 0.047 0.000 2.646 388 S HA 0.733 5.202 4.470 -0.001 0.000 0.276 388 S C 0.123 174.690 174.600 -0.055 0.000 1.222 388 S CA 0.168 58.396 58.200 0.047 0.000 1.014 388 S CB 1.388 64.577 63.200 -0.019 0.000 0.991 388 S HN 1.209 nan 8.310 nan 0.000 0.533 389 G N 0.425 109.199 108.800 -0.044 0.000 2.579 389 G HA2 0.402 4.361 3.960 -0.001 0.000 0.292 389 G HA3 0.402 4.361 3.960 -0.001 0.000 0.292 389 G C -1.780 173.082 174.900 -0.065 0.000 1.484 389 G CA -0.876 43.983 45.100 -0.401 0.000 0.813 389 G HN 0.584 nan 8.290 nan 0.000 0.515 390 E N -0.321 119.813 120.200 -0.109 0.000 2.465 390 E HA 0.351 4.700 4.350 -0.001 0.000 0.260 390 E C 1.337 177.952 176.600 0.025 0.000 0.980 390 E CA 1.594 57.993 56.400 -0.001 0.000 0.927 390 E CB 0.822 30.514 29.700 -0.013 0.000 0.934 390 E HN 1.571 nan 8.360 nan 0.000 0.459 391 G N 3.292 111.963 108.800 -0.214 0.000 2.284 391 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.230 391 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.230 391 G C 0.265 174.821 174.900 -0.572 0.000 1.021 391 G CA 0.158 44.698 45.100 -0.933 0.000 0.619 391 G HN 0.579 nan 8.290 nan 0.000 0.510 392 E N 2.429 122.656 120.200 0.045 0.000 2.344 392 E HA 0.458 4.807 4.350 -0.001 0.000 0.270 392 E C 1.194 177.929 176.600 0.224 0.000 1.021 392 E CA 0.342 56.905 56.400 0.272 0.000 0.887 392 E CB 0.384 30.338 29.700 0.424 0.000 0.997 392 E HN 0.462 nan 8.360 nan 0.000 0.429 393 T N 1.955 116.635 114.554 0.210 0.000 2.860 393 T HA 0.148 4.498 4.350 -0.001 0.000 0.299 393 T C 0.071 174.905 174.700 0.223 0.000 1.045 393 T CA -0.212 61.971 62.100 0.139 0.000 1.071 393 T CB 0.390 69.406 68.868 0.246 0.000 0.985 393 T HN 0.608 nan 8.240 nan 0.000 0.537 394 Y N -0.829 119.561 120.300 0.149 0.000 2.892 394 Y HA 0.285 4.834 4.550 -0.001 0.000 0.242 394 Y C 1.024 176.933 175.900 0.016 0.000 1.080 394 Y CA -1.796 56.319 58.100 0.026 0.000 1.147 394 Y CB -0.798 37.678 38.460 0.027 0.000 1.229 394 Y HN 0.789 nan 8.280 nan 0.000 0.633 395 W N 2.668 123.967 121.300 -0.001 0.000 2.468 395 W HA 0.097 4.756 4.660 -0.002 0.000 0.262 395 W C -0.163 176.410 176.519 0.091 0.000 1.241 395 W CA 1.243 58.602 57.345 0.023 0.000 1.232 395 W CB -0.340 29.129 29.460 0.014 0.000 1.124 395 W HN 0.511 nan 8.180 nan 0.000 0.597 396 E N 0.370 120.179 120.200 -0.651 0.000 2.413 396 E HA 0.476 4.825 4.350 -0.001 0.000 0.277 396 E C -2.993 173.382 176.600 -0.375 0.000 0.958 396 E CA -2.401 53.645 56.400 -0.589 0.000 0.779 396 E CB 1.712 30.749 29.700 -1.105 0.000 1.278 396 E HN -0.353 nan 8.360 nan 0.000 0.456 397 P HA 0.131 nan 4.420 nan 0.000 0.268 397 P C -0.743 176.471 177.300 -0.145 0.000 1.204 397 P CA -0.133 62.882 63.100 -0.141 0.000 0.768 397 P CB 0.895 32.526 31.700 -0.115 0.000 0.842 398 A N 3.653 126.420 122.820 -0.088 0.000 3.202 398 A HA 0.113 4.432 4.320 -0.001 0.000 0.258 398 A C 1.604 179.147 177.584 -0.068 0.000 1.572 398 A CA -0.318 51.691 52.037 -0.045 0.000 1.241 398 A CB -1.304 17.696 19.000 0.000 0.000 1.127 398 A HN 0.686 nan 8.150 nan 0.000 0.648 399 M N -0.324 119.198 119.600 -0.129 0.000 2.089 399 M HA -0.245 4.234 4.480 -0.001 0.000 0.257 399 M C 1.058 177.102 176.300 -0.427 0.000 1.071 399 M CA 2.265 57.382 55.300 -0.306 0.000 1.096 399 M CB -0.210 32.128 32.600 -0.438 0.000 1.330 399 M HN 0.720 nan 8.290 nan 0.000 0.403 400 Y N -1.034 119.218 120.300 -0.080 0.000 2.510 400 Y HA 0.113 4.662 4.550 -0.001 0.000 0.273 400 Y C 1.851 177.665 175.900 -0.144 0.000 1.119 400 Y CA 0.435 58.452 58.100 -0.138 0.000 1.286 400 Y CB 0.079 38.443 38.460 -0.161 0.000 1.061 400 Y HN 0.363 nan 8.280 nan 0.000 0.542 401 N N -0.409 118.336 118.700 0.075 0.000 2.227 401 N HA -0.028 4.711 4.740 -0.001 0.000 0.196 401 N C -0.386 175.195 175.510 0.118 0.000 1.142 401 N CA 0.240 53.372 53.050 0.136 0.000 0.887 401 N CB 0.275 38.825 38.487 0.105 0.000 1.022 401 N HN 0.221 nan 8.380 nan 0.000 0.500 402 D N 0.371 120.802 120.400 0.053 0.000 2.382 402 D HA 0.213 4.853 4.640 -0.001 0.000 0.259 402 D C 1.277 177.613 176.300 0.061 0.000 1.224 402 D CA 1.145 55.169 54.000 0.040 0.000 0.894 402 D CB 0.067 40.871 40.800 0.007 0.000 1.127 402 D HN 0.370 nan 8.370 nan 0.000 0.487 403 G N 3.217 112.057 108.800 0.066 0.000 2.179 403 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.260 403 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.260 403 G C 0.623 175.593 174.900 0.116 0.000 0.977 403 G CA 0.361 45.502 45.100 0.067 0.000 0.641 403 G HN 0.535 nan 8.290 nan 0.000 0.533 404 F N 1.017 120.951 119.950 -0.027 0.000 2.274 404 F HA 0.525 5.052 4.527 -0.001 0.000 0.288 404 F C 1.165 176.943 175.800 -0.037 0.000 1.069 404 F CA 2.068 60.054 58.000 -0.022 0.000 1.343 404 F CB 0.616 39.611 39.000 -0.009 0.000 1.089 404 F HN 0.322 nan 8.300 nan 0.000 0.517 405 T N -0.811 113.670 114.554 -0.122 0.000 2.802 405 T HA 0.567 4.917 4.350 -0.001 0.000 0.311 405 T C -1.618 172.978 174.700 -0.173 0.000 1.405 405 T CA 0.031 61.985 62.100 -0.242 0.000 1.016 405 T CB 0.999 69.671 68.868 -0.326 0.000 1.352 405 T HN 0.433 nan 8.240 nan 0.000 0.498 406 S N 0.526 116.107 115.700 -0.197 0.000 2.611 406 S HA 0.427 4.896 4.470 -0.001 0.000 0.270 406 S C 0.598 175.082 174.600 -0.194 0.000 1.131 406 S CA -0.178 57.881 58.200 -0.236 0.000 0.826 406 S CB 0.753 63.883 63.200 -0.118 0.000 1.095 406 S HN 0.531 nan 8.310 nan 0.000 0.461 407 V N 1.539 121.310 119.914 -0.238 0.000 2.407 407 V HA -0.116 4.003 4.120 -0.001 0.000 0.248 407 V C 2.736 178.853 176.094 0.038 0.000 1.055 407 V CA 2.404 64.665 62.300 -0.064 0.000 1.049 407 V CB -1.009 30.800 31.823 -0.023 0.000 0.662 407 V HN 1.015 nan 8.190 nan 0.000 0.455 408 E N -0.145 120.083 120.200 0.046 0.000 2.058 408 E HA -0.329 4.020 4.350 -0.001 0.000 0.194 408 E C 2.308 178.945 176.600 0.061 0.000 0.997 408 E CA 1.952 58.411 56.400 0.099 0.000 0.801 408 E CB -0.089 29.705 29.700 0.155 0.000 0.746 408 E HN 0.697 nan 8.360 nan 0.000 0.450 409 Q N -0.136 119.676 119.800 0.020 0.000 2.079 409 Q HA -0.165 4.175 4.340 -0.001 0.000 0.200 409 Q C 1.944 177.945 176.000 0.001 0.000 0.974 409 Q CA 1.137 56.940 55.803 -0.000 0.000 0.840 409 Q CB 0.145 28.860 28.738 -0.038 0.000 0.898 409 Q HN 0.216 nan 8.270 nan 0.000 0.430 410 E N 0.520 120.719 120.200 -0.001 0.000 2.204 410 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 410 E C 1.656 178.288 176.600 0.053 0.000 0.990 410 E CA 0.719 57.131 56.400 0.021 0.000 0.821 410 E CB 0.076 29.793 29.700 0.029 0.000 0.750 410 E HN 0.432 nan 8.360 nan 0.000 0.477 411 E N 0.630 120.871 120.200 0.069 0.000 2.418 411 E HA -0.081 4.269 4.350 -0.001 0.000 0.197 411 E C 1.655 178.289 176.600 0.058 0.000 1.026 411 E CA 0.333 56.782 56.400 0.081 0.000 0.862 411 E CB 0.028 29.790 29.700 0.104 0.000 0.799 411 E HN 0.284 nan 8.360 nan 0.000 0.518 412 K N 1.245 121.671 120.400 0.043 0.000 2.148 412 K HA -0.078 4.241 4.320 -0.001 0.000 0.204 412 K C 0.679 177.294 176.600 0.025 0.000 1.050 412 K CA 0.797 57.103 56.287 0.032 0.000 0.942 412 K CB -0.022 32.491 32.500 0.022 0.000 0.724 412 K HN 0.109 nan 8.250 nan 0.000 0.446 413 N N -0.172 118.544 118.700 0.025 0.000 2.258 413 N HA 0.103 4.843 4.740 -0.001 0.000 0.299 413 N C 0.191 175.718 175.510 0.028 0.000 1.047 413 N CA -0.483 52.579 53.050 0.020 0.000 0.814 413 N CB 1.161 39.655 38.487 0.012 0.000 1.413 413 N HN -0.162 nan 8.380 nan 0.000 0.478 414 L N -0.380 120.856 121.223 0.022 0.000 2.549 414 L HA 0.000 4.340 4.340 -0.001 0.000 0.229 414 L C 0.739 177.628 176.870 0.031 0.000 1.158 414 L CA 0.960 55.815 54.840 0.025 0.000 0.842 414 L CB -0.070 41.995 42.059 0.012 0.000 0.952 414 L HN 0.641 nan 8.230 nan 0.000 0.452 415 D N -0.220 120.195 120.400 0.026 0.000 2.559 415 D HA 0.064 4.703 4.640 -0.001 0.000 0.234 415 D C 0.542 176.864 176.300 0.036 0.000 1.226 415 D CA 0.021 54.038 54.000 0.028 0.000 0.830 415 D CB 0.435 41.238 40.800 0.004 0.000 1.028 415 D HN 0.186 nan 8.370 nan 0.000 0.492 416 S N -0.604 115.129 115.700 0.055 0.000 2.655 416 S HA 0.113 4.582 4.470 -0.001 0.000 0.265 416 S C 1.356 176.026 174.600 0.117 0.000 1.240 416 S CA -0.681 57.553 58.200 0.057 0.000 0.986 416 S CB 1.554 64.785 63.200 0.052 0.000 0.985 416 S HN 0.070 nan 8.310 nan 0.000 0.562 417 L N 0.485 121.779 121.223 0.118 0.000 2.083 417 L HA 0.043 4.383 4.340 -0.001 0.000 0.209 417 L C 2.156 179.233 176.870 0.344 0.000 1.083 417 L CA 1.569 56.549 54.840 0.234 0.000 0.752 417 L CB -1.234 40.928 42.059 0.172 0.000 0.899 417 L HN 0.832 nan 8.230 nan 0.000 0.433 418 L N -0.312 121.035 121.223 0.206 0.000 2.017 418 L HA -0.226 4.113 4.340 -0.001 0.000 0.208 418 L C 2.014 179.017 176.870 0.221 0.000 1.073 418 L CA 2.110 57.067 54.840 0.195 0.000 0.745 418 L CB -0.965 41.183 42.059 0.149 0.000 0.894 418 L HN 0.398 nan 8.230 nan 0.000 0.432 419 N N -2.020 116.790 118.700 0.183 0.000 2.331 419 N HA -0.202 4.538 4.740 -0.001 0.000 0.180 419 N C 1.749 177.376 175.510 0.195 0.000 1.019 419 N CA 0.853 53.992 53.050 0.149 0.000 0.881 419 N CB -0.174 38.374 38.487 0.101 0.000 0.972 419 N HN 0.529 nan 8.380 nan 0.000 0.435 420 H N -0.270 118.891 119.070 0.151 0.000 2.326 420 H HA -0.089 4.466 4.556 -0.001 0.000 0.301 420 H C 1.417 176.830 175.328 0.141 0.000 1.081 420 H CA 1.696 57.823 56.048 0.133 0.000 1.334 420 H CB -0.227 29.609 29.762 0.124 0.000 1.385 420 H HN 0.248 nan 8.280 nan 0.000 0.504 421 Y N 0.645 120.966 120.300 0.036 0.000 2.181 421 Y HA -0.126 4.424 4.550 -0.001 0.000 0.288 421 Y C 2.800 178.698 175.900 -0.003 0.000 1.146 421 Y CA 1.677 59.763 58.100 -0.025 0.000 1.164 421 Y CB -0.170 38.339 38.460 0.081 0.000 0.982 421 Y HN 0.143 nan 8.280 nan 0.000 0.515 422 R N -0.311 120.312 120.500 0.205 0.000 2.083 422 R HA -0.181 4.159 4.340 -0.001 0.000 0.237 422 R C 2.332 178.754 176.300 0.204 0.000 1.137 422 R CA 1.678 57.892 56.100 0.190 0.000 0.951 422 R CB -0.307 30.050 30.300 0.095 0.000 0.851 422 R HN 0.314 nan 8.270 nan 0.000 0.434 423 R N 0.437 121.008 120.500 0.118 0.000 2.081 423 R HA -0.083 4.256 4.340 -0.001 0.000 0.235 423 R C 2.383 178.769 176.300 0.144 0.000 1.131 423 R CA 1.200 57.398 56.100 0.162 0.000 0.960 423 R CB -0.365 30.049 30.300 0.190 0.000 0.856 423 R HN 0.212 nan 8.270 nan 0.000 0.436 424 L N 0.373 121.567 121.223 -0.049 0.000 2.017 424 L HA -0.185 4.155 4.340 -0.001 0.000 0.208 424 L C 2.365 179.120 176.870 -0.190 0.000 1.073 424 L CA 1.309 55.993 54.840 -0.260 0.000 0.745 424 L CB -0.354 41.434 42.059 -0.451 0.000 0.894 424 L HN 0.179 nan 8.230 nan 0.000 0.432 425 I N -1.124 119.392 120.570 -0.090 0.000 2.252 425 I HA -0.289 3.880 4.170 -0.001 0.000 0.245 425 I C 2.417 178.483 176.117 -0.085 0.000 1.102 425 I CA 1.272 62.516 61.300 -0.093 0.000 1.385 425 I CB -0.447 37.524 38.000 -0.048 0.000 1.064 425 I HN 0.251 nan 8.210 nan 0.000 0.414 426 H N -0.380 118.679 119.070 -0.017 0.000 2.389 426 H HA -0.163 4.392 4.556 -0.001 0.000 0.299 426 H C 1.833 177.177 175.328 0.027 0.000 1.081 426 H CA 1.677 57.733 56.048 0.014 0.000 1.345 426 H CB -0.211 29.578 29.762 0.044 0.000 1.393 426 H HN 0.245 nan 8.280 nan 0.000 0.520 427 F N 1.321 121.246 119.950 -0.042 0.000 2.134 427 F HA -0.123 4.404 4.527 -0.001 0.000 0.299 427 F C 2.531 178.180 175.800 -0.250 0.000 1.097 427 F CA 1.306 59.210 58.000 -0.161 0.000 1.264 427 F CB -0.176 38.569 39.000 -0.425 0.000 1.001 427 F HN -0.089 nan 8.300 nan 0.000 0.479 428 R N 0.252 120.529 120.500 -0.371 0.000 2.073 428 R HA -0.179 4.161 4.340 -0.001 0.000 0.234 428 R C 1.991 178.202 176.300 -0.147 0.000 1.134 428 R CA 1.758 57.571 56.100 -0.478 0.000 0.952 428 R CB -0.380 29.637 30.300 -0.471 0.000 0.850 428 R HN 0.281 nan 8.270 nan 0.000 0.433 429 N N 0.717 119.398 118.700 -0.030 0.000 2.244 429 N HA -0.144 4.596 4.740 -0.001 0.000 0.183 429 N C 1.156 176.665 175.510 -0.001 0.000 1.016 429 N CA 1.211 54.297 53.050 0.060 0.000 0.866 429 N CB -0.041 38.420 38.487 -0.045 0.000 0.980 429 N HN 0.418 nan 8.380 nan 0.000 0.430 430 E N 0.007 120.173 120.200 -0.056 0.000 2.371 430 E HA 0.094 4.443 4.350 -0.001 0.000 0.194 430 E C -0.217 176.326 176.600 -0.094 0.000 1.012 430 E CA 0.326 56.695 56.400 -0.052 0.000 0.860 430 E CB 0.189 29.883 29.700 -0.010 0.000 0.811 430 E HN 0.275 nan 8.360 nan 0.000 0.502 431 N N 1.144 119.753 118.700 -0.152 0.000 2.790 431 N HA 0.088 4.827 4.740 -0.001 0.000 0.256 431 N C -2.246 173.293 175.510 0.049 0.000 1.409 431 N CA -0.947 52.045 53.050 -0.096 0.000 0.799 431 N CB 1.352 39.704 38.487 -0.226 0.000 1.170 431 N HN 0.020 nan 8.380 nan 0.000 0.507 432 P HA -0.159 nan 4.420 nan 0.000 0.222 432 P C 1.496 178.839 177.300 0.072 0.000 1.142 432 P CA 0.614 63.800 63.100 0.144 0.000 0.788 432 P CB 0.608 32.327 31.700 0.031 0.000 0.767 433 V N -1.185 118.705 119.914 -0.040 0.000 2.568 433 V HA -0.224 3.896 4.120 -0.001 0.000 0.253 433 V C 2.069 178.035 176.094 -0.213 0.000 1.072 433 V CA 1.532 63.740 62.300 -0.153 0.000 1.084 433 V CB -1.381 30.305 31.823 -0.227 0.000 0.676 433 V HN -0.108 nan 8.190 nan 0.000 0.469 434 F N -0.986 118.871 119.950 -0.155 0.000 2.216 434 F HA -0.102 4.424 4.527 -0.001 0.000 0.300 434 F C 1.999 177.651 175.800 -0.248 0.000 1.085 434 F CA 2.027 59.896 58.000 -0.219 0.000 1.326 434 F CB -0.426 38.371 39.000 -0.337 0.000 1.027 434 F HN 0.259 nan 8.300 nan 0.000 0.497 435 Y N -0.590 119.725 120.300 0.025 0.000 2.231 435 Y HA -0.121 4.429 4.550 -0.001 0.000 0.294 435 Y C 2.681 178.479 175.900 -0.170 0.000 1.120 435 Y CA 1.593 59.665 58.100 -0.046 0.000 1.141 435 Y CB -0.972 37.417 38.460 -0.119 0.000 1.022 435 Y HN 0.007 nan 8.280 nan 0.000 0.523 436 T N -2.951 111.540 114.554 -0.106 0.000 3.022 436 T HA 0.325 4.675 4.350 -0.001 0.000 0.250 436 T C 1.124 175.777 174.700 -0.079 0.000 1.060 436 T CA 0.249 62.221 62.100 -0.213 0.000 1.013 436 T CB -0.425 68.252 68.868 -0.319 0.000 0.982 436 T HN 0.164 nan 8.240 nan 0.000 0.508 437 G N 1.195 109.935 108.800 -0.100 0.000 2.599 437 G HA2 0.464 4.424 3.960 -0.001 0.000 0.264 437 G HA3 0.464 4.424 3.960 -0.001 0.000 0.264 437 G C -0.344 174.439 174.900 -0.195 0.000 1.200 437 G CA -0.818 44.188 45.100 -0.156 0.000 0.896 437 G HN 0.374 nan 8.290 nan 0.000 0.536 438 K N -1.010 118.994 120.400 -0.659 0.000 2.118 438 K HA 0.474 4.793 4.320 -0.001 0.000 0.240 438 K C -0.494 175.646 176.600 -0.766 0.000 1.035 438 K CA -0.251 55.422 56.287 -1.022 0.000 0.899 438 K CB 1.386 32.938 32.500 -1.580 0.000 1.085 438 K HN 0.379 nan 8.250 nan 0.000 0.498 439 I N 0.189 120.431 120.570 -0.547 0.000 2.619 439 I HA 0.190 4.359 4.170 -0.001 0.000 0.292 439 I C -1.564 174.510 176.117 -0.072 0.000 1.100 439 I CA -0.406 60.727 61.300 -0.279 0.000 1.043 439 I CB 1.891 39.617 38.000 -0.456 0.000 1.239 439 I HN 0.661 nan 8.210 nan 0.000 0.420 440 E N 8.146 128.415 120.200 0.115 0.000 2.244 440 E HA 0.329 4.679 4.350 -0.001 0.000 0.260 440 E C -1.290 175.379 176.600 0.115 0.000 0.884 440 E CA -0.786 55.671 56.400 0.095 0.000 0.777 440 E CB 1.403 31.144 29.700 0.068 0.000 1.197 440 E HN 0.482 nan 8.360 nan 0.000 0.416 441 I N 6.130 126.776 120.570 0.127 0.000 2.648 441 I HA 0.157 4.326 4.170 -0.001 0.000 0.284 441 I C 0.707 176.911 176.117 0.146 0.000 1.153 441 I CA 0.172 61.598 61.300 0.210 0.000 1.426 441 I CB -0.276 37.826 38.000 0.171 0.000 1.381 441 I HN 0.545 nan 8.210 nan 0.000 0.571 442 I N 2.830 123.495 120.570 0.158 0.000 3.145 442 I HA 0.539 4.708 4.170 -0.001 0.000 0.313 442 I C -0.150 176.060 176.117 0.154 0.000 1.122 442 I CA -1.050 60.319 61.300 0.116 0.000 0.987 442 I CB 2.179 40.217 38.000 0.063 0.000 1.236 442 I HN 0.326 nan 8.210 nan 0.000 0.453 443 N N 2.132 120.924 118.700 0.154 0.000 2.415 443 N HA 0.316 5.056 4.740 -0.001 0.000 0.246 443 N C 0.347 175.974 175.510 0.195 0.000 1.078 443 N CA -0.049 53.102 53.050 0.168 0.000 0.942 443 N CB 1.407 39.979 38.487 0.143 0.000 1.140 443 N HN 0.943 nan 8.380 nan 0.000 0.501 444 G N 1.084 110.014 108.800 0.217 0.000 3.277 444 G HA2 0.456 4.415 3.960 -0.001 0.000 0.243 444 G HA3 0.456 4.415 3.960 -0.001 0.000 0.243 444 G C 0.499 175.508 174.900 0.182 0.000 1.107 444 G CA 0.220 45.484 45.100 0.274 0.000 0.771 444 G HN 0.885 nan 8.290 nan 0.000 0.544 445 G N -0.841 108.052 108.800 0.155 0.000 2.381 445 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.672 445 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.672 445 G C 0.526 175.515 174.900 0.149 0.000 1.324 445 G CA -0.484 44.690 45.100 0.124 0.000 0.975 445 G HN 0.242 nan 8.290 nan 0.000 0.593 446 L N -0.403 120.905 121.223 0.141 0.000 2.191 446 L HA 0.042 4.381 4.340 -0.001 0.000 0.212 446 L C 1.803 178.830 176.870 0.262 0.000 1.103 446 L CA 1.773 56.731 54.840 0.197 0.000 0.769 446 L CB -0.208 41.956 42.059 0.175 0.000 0.908 446 L HN 0.532 nan 8.230 nan 0.000 0.438 447 N N -1.549 117.248 118.700 0.161 0.000 2.416 447 N HA 0.240 4.980 4.740 -0.001 0.000 0.267 447 N C -1.096 174.460 175.510 0.075 0.000 1.294 447 N CA -0.102 53.003 53.050 0.090 0.000 0.891 447 N CB 1.428 39.912 38.487 -0.006 0.000 1.238 447 N HN -0.114 nan 8.380 nan 0.000 0.508 448 V N 0.682 120.674 119.914 0.129 0.000 2.789 448 V HA 0.420 4.540 4.120 -0.001 0.000 0.311 448 V C -0.418 175.779 176.094 0.173 0.000 1.073 448 V CA -0.885 61.497 62.300 0.138 0.000 0.921 448 V CB 2.568 34.479 31.823 0.147 0.000 1.009 448 V HN -0.203 nan 8.190 nan 0.000 0.426 449 V N 3.665 123.675 119.914 0.160 0.000 2.370 449 V HA 0.859 4.979 4.120 -0.001 0.000 0.279 449 V C 0.276 176.436 176.094 0.108 0.000 1.029 449 V CA -0.061 62.342 62.300 0.172 0.000 0.870 449 V CB 1.372 33.217 31.823 0.036 0.000 0.984 449 V HN 1.062 nan 8.190 nan 0.000 0.451 450 A N 5.796 128.674 122.820 0.096 0.000 2.475 450 A HA 1.057 5.377 4.320 -0.001 0.000 0.301 450 A C -1.172 176.385 177.584 -0.046 0.000 1.059 450 A CA -0.500 51.414 52.037 -0.204 0.000 0.710 450 A CB 1.742 20.651 19.000 -0.152 0.000 1.288 450 A HN 1.137 nan 8.150 nan 0.000 0.408 451 F N -1.362 118.511 119.950 -0.130 0.000 2.744 451 F HA 0.735 5.261 4.527 -0.001 0.000 0.311 451 F C -0.753 174.915 175.800 -0.220 0.000 1.144 451 F CA -1.129 56.818 58.000 -0.090 0.000 0.938 451 F CB 1.002 40.056 39.000 0.089 0.000 1.292 451 F HN 0.574 nan 8.300 nan 0.000 0.444 452 R N 1.461 121.982 120.500 0.036 0.000 2.428 452 R HA 0.709 5.049 4.340 -0.001 0.000 0.294 452 R C -0.819 175.587 176.300 0.176 0.000 1.000 452 R CA -1.112 54.913 56.100 -0.125 0.000 0.960 452 R CB 1.145 31.205 30.300 -0.400 0.000 1.076 452 R HN 0.444 nan 8.270 nan 0.000 0.475 453 R N 2.871 123.424 120.500 0.088 0.000 2.439 453 R HA 0.326 4.665 4.340 -0.001 0.000 0.310 453 R C -1.254 175.028 176.300 -0.030 0.000 0.955 453 R CA -0.798 55.256 56.100 -0.076 0.000 0.853 453 R CB 1.181 31.262 30.300 -0.364 0.000 1.171 453 R HN 0.723 nan 8.270 nan 0.000 0.449 454 Y N -0.045 120.116 120.300 -0.231 0.000 2.638 454 Y HA 0.655 5.204 4.550 -0.001 0.000 0.335 454 Y C -0.743 175.060 175.900 -0.161 0.000 1.155 454 Y CA -1.252 56.738 58.100 -0.185 0.000 1.046 454 Y CB 1.477 39.844 38.460 -0.155 0.000 1.303 454 Y HN 0.591 nan 8.280 nan 0.000 0.460 455 N N -1.582 117.105 118.700 -0.022 0.000 3.439 455 N HA 0.243 4.982 4.740 -0.001 0.000 0.313 455 N C -0.659 174.867 175.510 0.027 0.000 1.598 455 N CA -0.551 52.464 53.050 -0.058 0.000 0.830 455 N CB 0.208 38.645 38.487 -0.083 0.000 1.849 455 N HN 0.603 nan 8.380 nan 0.000 0.598 456 D N -0.660 119.742 120.400 0.003 0.000 2.350 456 D HA 0.006 4.646 4.640 -0.001 0.000 0.216 456 D C 0.308 176.608 176.300 0.001 0.000 0.968 456 D CA 1.121 55.126 54.000 0.009 0.000 0.894 456 D CB 0.238 41.038 40.800 -0.001 0.000 0.909 456 D HN 0.498 nan 8.370 nan 0.000 0.520 457 K N -0.762 119.634 120.400 -0.006 0.000 2.464 457 K HA 0.163 4.482 4.320 -0.001 0.000 0.206 457 K C 0.327 176.921 176.600 -0.010 0.000 1.186 457 K CA -0.159 56.121 56.287 -0.011 0.000 0.990 457 K CB 1.312 33.801 32.500 -0.018 0.000 1.003 457 K HN -0.191 nan 8.250 nan 0.000 0.562 458 R N 0.958 121.454 120.500 -0.006 0.000 2.686 458 R HA 0.278 4.617 4.340 -0.001 0.000 0.286 458 R C -1.423 174.897 176.300 0.033 0.000 0.969 458 R CA -0.661 55.437 56.100 -0.003 0.000 0.898 458 R CB 1.528 31.806 30.300 -0.037 0.000 1.183 458 R HN -0.096 nan 8.270 nan 0.000 0.456 459 D N 3.197 123.624 120.400 0.045 0.000 2.378 459 D HA 0.291 4.930 4.640 -0.001 0.000 0.265 459 D C -0.833 175.566 176.300 0.164 0.000 1.229 459 D CA -0.294 53.758 54.000 0.088 0.000 0.914 459 D CB 0.429 41.257 40.800 0.047 0.000 1.140 459 D HN 0.352 nan 8.370 nan 0.000 0.516 460 L N 2.558 123.860 121.223 0.131 0.000 2.309 460 L HA 0.461 4.801 4.340 -0.001 0.000 0.282 460 L C -0.661 176.339 176.870 0.215 0.000 1.036 460 L CA -1.050 53.909 54.840 0.198 0.000 0.806 460 L CB 1.168 43.259 42.059 0.054 0.000 1.220 460 L HN 0.227 nan 8.230 nan 0.000 0.429 461 Y N 1.789 122.152 120.300 0.105 0.000 2.328 461 Y HA 0.440 4.990 4.550 -0.001 0.000 0.337 461 Y C -0.022 175.748 175.900 -0.216 0.000 0.966 461 Y CA -0.756 57.319 58.100 -0.043 0.000 1.136 461 Y CB 1.913 40.446 38.460 0.122 0.000 1.170 461 Y HN 0.152 nan 8.280 nan 0.000 0.470 462 V N 5.101 124.779 119.914 -0.393 0.000 2.435 462 V HA 0.390 4.510 4.120 -0.001 0.000 0.290 462 V C -1.070 174.465 176.094 -0.932 0.000 1.030 462 V CA -1.160 60.817 62.300 -0.537 0.000 0.881 462 V CB 0.874 32.359 31.823 -0.562 0.000 0.983 462 V HN 0.531 nan 8.190 nan 0.000 0.445 463 Y N 2.774 122.786 120.300 -0.481 0.000 2.361 463 Y HA 0.579 5.129 4.550 -0.001 0.000 0.337 463 Y C -0.054 175.577 175.900 -0.447 0.000 0.965 463 Y CA -0.647 57.221 58.100 -0.386 0.000 1.091 463 Y CB 1.641 39.975 38.460 -0.209 0.000 1.182 463 Y HN 0.686 nan 8.280 nan 0.000 0.450 464 H N 1.330 120.409 119.070 0.014 0.000 2.638 464 H HA 0.235 4.791 4.556 -0.001 0.000 0.317 464 H C -0.558 174.791 175.328 0.036 0.000 1.006 464 H CA -0.956 55.101 56.048 0.015 0.000 1.222 464 H CB 0.912 30.651 29.762 -0.038 0.000 1.419 464 H HN 0.440 nan 8.280 nan 0.000 0.489 465 N N 3.692 122.473 118.700 0.135 0.000 2.420 465 N HA 0.017 4.756 4.740 -0.001 0.000 0.262 465 N C 0.395 175.943 175.510 0.063 0.000 1.144 465 N CA -0.006 53.078 53.050 0.057 0.000 0.952 465 N CB 0.773 39.255 38.487 -0.008 0.000 1.081 465 N HN 0.644 nan 8.380 nan 0.000 0.480 466 L N 2.532 123.773 121.223 0.031 0.000 2.509 466 L HA 0.111 4.451 4.340 -0.001 0.000 0.222 466 L C 0.785 177.635 176.870 -0.033 0.000 1.123 466 L CA -0.011 54.858 54.840 0.048 0.000 0.856 466 L CB -0.299 41.770 42.059 0.017 0.000 0.985 466 L HN 0.394 nan 8.230 nan 0.000 0.456 467 V N -3.455 116.301 119.914 -0.262 0.000 3.166 467 V HA 0.395 4.515 4.120 -0.001 0.000 0.317 467 V C 0.231 175.716 176.094 -1.015 0.000 1.136 467 V CA -0.859 61.154 62.300 -0.479 0.000 1.035 467 V CB 1.487 33.143 31.823 -0.278 0.000 1.110 467 V HN 0.299 nan 8.190 nan 0.000 0.450 468 N N 0.535 118.760 118.700 -0.792 0.000 2.484 468 N HA 0.219 4.958 4.740 -0.001 0.000 0.245 468 N C -0.002 175.334 175.510 -0.291 0.000 1.184 468 N CA -0.514 52.167 53.050 -0.616 0.000 0.884 468 N CB -0.460 37.939 38.487 -0.147 0.000 1.182 468 N HN 0.917 nan 8.380 nan 0.000 0.493 469 R N -2.572 117.759 120.500 -0.282 0.000 2.692 469 R HA 0.559 4.899 4.340 -0.001 0.000 0.269 469 R C -3.310 172.906 176.300 -0.141 0.000 1.030 469 R CA -1.687 54.319 56.100 -0.156 0.000 0.882 469 R CB 0.752 30.986 30.300 -0.109 0.000 1.250 469 R HN -0.112 nan 8.270 nan 0.000 0.465 470 P HA 0.089 nan 4.420 nan 0.000 0.271 470 P C -0.358 176.901 177.300 -0.068 0.000 1.218 470 P CA -0.360 62.694 63.100 -0.077 0.000 0.780 470 P CB 1.285 32.950 31.700 -0.058 0.000 0.901 471 V N -0.729 119.148 119.914 -0.062 0.000 3.040 471 V HA 0.642 4.762 4.120 -0.001 0.000 0.312 471 V C -0.554 175.509 176.094 -0.052 0.000 1.115 471 V CA -1.117 61.154 62.300 -0.048 0.000 0.998 471 V CB 2.339 34.138 31.823 -0.039 0.000 1.042 471 V HN 0.332 nan 8.190 nan 0.000 0.433 472 K N 2.725 123.096 120.400 -0.049 0.000 2.207 472 K HA 0.815 5.135 4.320 -0.001 0.000 0.255 472 K C -1.131 175.419 176.600 -0.084 0.000 0.941 472 K CA -0.610 55.639 56.287 -0.063 0.000 0.825 472 K CB 2.132 34.600 32.500 -0.054 0.000 1.119 472 K HN 0.866 nan 8.250 nan 0.000 0.430 473 I N -1.342 119.147 120.570 -0.135 0.000 2.689 473 I HA 0.514 4.684 4.170 -0.001 0.000 0.299 473 I C -1.176 174.836 176.117 -0.175 0.000 1.059 473 I CA -0.656 60.517 61.300 -0.211 0.000 1.055 473 I CB 1.873 39.556 38.000 -0.528 0.000 1.243 473 I HN 0.347 nan 8.210 nan 0.000 0.425 474 K N 4.383 124.693 120.400 -0.149 0.000 2.371 474 K HA 0.839 5.159 4.320 -0.001 0.000 0.251 474 K C -1.149 175.350 176.600 -0.167 0.000 0.934 474 K CA -1.044 55.164 56.287 -0.132 0.000 0.798 474 K CB 2.921 35.372 32.500 -0.081 0.000 1.204 474 K HN 0.684 nan 8.250 nan 0.000 0.427 475 V N -1.593 118.170 119.914 -0.252 0.000 3.001 475 V HA 0.807 4.927 4.120 -0.001 0.000 0.314 475 V C -0.280 175.718 176.094 -0.160 0.000 1.099 475 V CA -1.244 60.846 62.300 -0.350 0.000 0.989 475 V CB 1.599 32.769 31.823 -1.088 0.000 1.040 475 V HN 0.872 nan 8.190 nan 0.000 0.434 476 A N 1.922 124.766 122.820 0.041 0.000 2.462 476 A HA 0.534 4.854 4.320 -0.001 0.000 0.243 476 A C 0.746 178.470 177.584 0.233 0.000 1.076 476 A CA 0.165 52.284 52.037 0.136 0.000 0.773 476 A CB -0.334 18.776 19.000 0.183 0.000 1.010 476 A HN 1.212 nan 8.150 nan 0.000 0.493 477 S N 0.587 116.373 115.700 0.143 0.000 2.558 477 S HA 0.466 4.936 4.470 -0.001 0.000 0.293 477 S C 0.810 175.554 174.600 0.241 0.000 1.292 477 S CA 0.690 58.986 58.200 0.160 0.000 1.063 477 S CB 0.356 63.604 63.200 0.079 0.000 0.831 477 S HN 1.740 nan 8.310 nan 0.000 0.499 478 G N 2.337 111.312 108.800 0.292 0.000 2.344 478 G HA2 0.167 4.127 3.960 -0.001 0.000 0.282 478 G HA3 0.167 4.127 3.960 -0.001 0.000 0.282 478 G C -1.388 173.595 174.900 0.138 0.000 1.281 478 G CA -0.978 44.220 45.100 0.162 0.000 0.877 478 G HN 0.514 nan 8.290 nan 0.000 0.494 479 N N 0.465 119.103 118.700 -0.103 0.000 2.482 479 N HA 0.471 5.210 4.740 -0.001 0.000 0.242 479 N C -1.409 173.950 175.510 -0.252 0.000 1.100 479 N CA -0.248 52.740 53.050 -0.103 0.000 0.946 479 N CB -0.083 38.331 38.487 -0.121 0.000 1.227 479 N HN 0.400 nan 8.380 nan 0.000 0.508 480 W N 1.539 122.856 121.300 0.029 0.000 2.736 480 W HA 0.441 5.100 4.660 -0.001 0.000 0.335 480 W C -0.260 176.305 176.519 0.076 0.000 1.059 480 W CA -0.642 56.730 57.345 0.045 0.000 1.226 480 W CB 1.712 31.217 29.460 0.076 0.000 1.416 480 W HN 0.092 nan 8.180 nan 0.000 0.505 481 T N 3.560 118.300 114.554 0.309 0.000 2.848 481 T HA 0.347 4.697 4.350 -0.001 0.000 0.285 481 T C -1.212 173.625 174.700 0.227 0.000 0.995 481 T CA -0.700 61.535 62.100 0.225 0.000 0.970 481 T CB 1.177 70.136 68.868 0.152 0.000 0.976 481 T HN 0.258 nan 8.240 nan 0.000 0.441 482 L N 4.687 126.027 121.223 0.195 0.000 2.325 482 L HA 0.376 4.715 4.340 -0.001 0.000 0.284 482 L C 0.403 177.363 176.870 0.150 0.000 1.089 482 L CA 0.195 55.124 54.840 0.149 0.000 0.836 482 L CB -0.215 41.923 42.059 0.133 0.000 1.184 482 L HN 0.740 nan 8.230 nan 0.000 0.444 483 L N 5.146 126.484 121.223 0.192 0.000 2.408 483 L HA 0.294 4.634 4.340 -0.001 0.000 0.215 483 L C -0.173 176.822 176.870 0.209 0.000 1.081 483 L CA 0.089 55.085 54.840 0.261 0.000 0.840 483 L CB 0.055 42.363 42.059 0.416 0.000 1.002 483 L HN 0.524 nan 8.230 nan 0.000 0.468 484 F N 0.314 120.185 119.950 -0.131 0.000 2.608 484 F HA 0.484 5.010 4.527 -0.001 0.000 0.309 484 F C -1.174 174.498 175.800 -0.213 0.000 1.103 484 F CA -0.978 56.804 58.000 -0.363 0.000 0.954 484 F CB 1.556 40.003 39.000 -0.922 0.000 1.267 484 F HN -0.263 nan 8.300 nan 0.000 0.444 485 N N 2.099 120.286 118.700 -0.855 0.000 2.519 485 N HA 0.158 4.898 4.740 -0.001 0.000 0.286 485 N C -0.037 174.973 175.510 -0.834 0.000 1.079 485 N CA 0.163 52.873 53.050 -0.567 0.000 0.878 485 N CB 1.896 40.204 38.487 -0.298 0.000 1.375 485 N HN 0.608 nan 8.380 nan 0.000 0.514 486 S N 0.888 116.248 115.700 -0.567 0.000 2.515 486 S HA 0.140 4.609 4.470 -0.001 0.000 0.231 486 S C 0.987 175.510 174.600 -0.128 0.000 0.987 486 S CA 0.523 58.552 58.200 -0.285 0.000 0.936 486 S CB -0.104 63.210 63.200 0.191 0.000 0.766 486 S HN 0.516 nan 8.310 nan 0.000 0.528 487 G N 1.127 109.842 108.800 -0.142 0.000 2.613 487 G HA2 0.480 4.439 3.960 -0.001 0.000 0.303 487 G HA3 0.480 4.439 3.960 -0.001 0.000 0.303 487 G C -0.541 174.302 174.900 -0.094 0.000 1.312 487 G CA -0.174 44.874 45.100 -0.086 0.000 1.036 487 G HN 0.341 nan 8.290 nan 0.000 0.513 488 D N -1.144 119.220 120.400 -0.061 0.000 2.463 488 D HA 0.184 4.824 4.640 -0.001 0.000 0.224 488 D C 0.260 176.533 176.300 -0.045 0.000 1.174 488 D CA -0.194 53.774 54.000 -0.054 0.000 0.829 488 D CB 0.403 41.181 40.800 -0.036 0.000 0.993 488 D HN -0.060 nan 8.370 nan 0.000 0.497 489 K N 0.461 120.832 120.400 -0.048 0.000 2.156 489 K HA 0.372 4.691 4.320 -0.001 0.000 0.250 489 K C -0.230 176.345 176.600 -0.040 0.000 0.955 489 K CA -0.846 55.418 56.287 -0.038 0.000 0.855 489 K CB 1.760 34.240 32.500 -0.033 0.000 1.101 489 K HN 0.026 nan 8.250 nan 0.000 0.434 490 E N 1.979 122.160 120.200 -0.032 0.000 2.223 490 E HA 0.162 4.512 4.350 -0.001 0.000 0.282 490 E C -0.838 175.749 176.600 -0.023 0.000 1.046 490 E CA 0.046 56.429 56.400 -0.027 0.000 0.857 490 E CB 0.132 29.818 29.700 -0.024 0.000 1.055 490 E HN 0.369 nan 8.360 nan 0.000 0.409 491 I N 5.087 125.649 120.570 -0.013 0.000 2.390 491 I HA 0.242 4.411 4.170 -0.001 0.000 0.283 491 I C -0.597 175.534 176.117 0.023 0.000 1.016 491 I CA -0.495 60.811 61.300 0.009 0.000 1.151 491 I CB 1.641 39.658 38.000 0.029 0.000 1.293 491 I HN 0.427 nan 8.210 nan 0.000 0.458 492 T N 6.797 121.339 114.554 -0.020 0.000 2.812 492 T HA 0.431 4.780 4.350 -0.001 0.000 0.282 492 T C -2.234 172.370 174.700 -0.161 0.000 0.990 492 T CA -1.139 60.926 62.100 -0.058 0.000 0.960 492 T CB 1.695 70.530 68.868 -0.054 0.000 0.948 492 T HN 0.375 nan 8.240 nan 0.000 0.438 493 P HA 0.470 nan 4.420 nan 0.000 0.274 493 P C -0.899 176.194 177.300 -0.346 0.000 1.246 493 P CA -0.521 62.224 63.100 -0.592 0.000 0.795 493 P CB 0.862 31.832 31.700 -1.216 0.000 1.006 494 V N -2.091 117.630 119.914 -0.321 0.000 2.735 494 V HA 0.602 4.721 4.120 -0.001 0.000 0.310 494 V C -0.588 175.393 176.094 -0.189 0.000 1.061 494 V CA -0.895 61.286 62.300 -0.198 0.000 0.913 494 V CB 1.903 33.639 31.823 -0.146 0.000 1.005 494 V HN 0.476 nan 8.190 nan 0.000 0.428 495 E N 2.388 122.509 120.200 -0.131 0.000 2.158 495 E HA 0.674 5.023 4.350 -0.001 0.000 0.271 495 E C -1.495 175.062 176.600 -0.071 0.000 0.911 495 E CA -0.367 55.972 56.400 -0.102 0.000 0.767 495 E CB 2.175 31.830 29.700 -0.076 0.000 1.120 495 E HN 0.929 nan 8.360 nan 0.000 0.405 496 D N 2.090 122.453 120.400 -0.063 0.000 2.977 496 D HA 0.163 4.802 4.640 -0.001 0.000 0.220 496 D C -0.966 175.313 176.300 -0.035 0.000 1.267 496 D CA -0.451 53.522 54.000 -0.045 0.000 0.884 496 D CB 0.740 41.511 40.800 -0.047 0.000 1.667 496 D HN 0.364 nan 8.370 nan 0.000 0.536 497 N N 3.723 122.409 118.700 -0.024 0.000 2.696 497 N HA -0.207 4.532 4.740 -0.001 0.000 0.256 497 N C -0.781 174.722 175.510 -0.011 0.000 1.031 497 N CA 0.677 53.718 53.050 -0.015 0.000 0.730 497 N CB -0.842 37.636 38.487 -0.015 0.000 0.894 497 N HN 0.657 nan 8.380 nan 0.000 0.544 498 N N -0.530 118.165 118.700 -0.008 0.000 2.699 498 N HA -0.205 4.535 4.740 -0.001 0.000 0.256 498 N C -0.951 174.559 175.510 -0.000 0.000 0.993 498 N CA 1.289 54.340 53.050 0.002 0.000 0.759 498 N CB -0.250 38.245 38.487 0.013 0.000 0.906 498 N HN 0.481 nan 8.380 nan 0.000 0.541 499 K N 0.469 120.855 120.400 -0.023 0.000 2.571 499 K HA 0.294 4.613 4.320 -0.001 0.000 0.252 499 K C -0.775 175.771 176.600 -0.090 0.000 0.956 499 K CA -0.696 55.564 56.287 -0.045 0.000 0.822 499 K CB 1.874 34.347 32.500 -0.044 0.000 1.286 499 K HN 0.089 nan 8.250 nan 0.000 0.439 500 L N 3.589 124.733 121.223 -0.131 0.000 2.265 500 L HA 0.482 4.822 4.340 -0.001 0.000 0.288 500 L C -0.319 176.393 176.870 -0.263 0.000 1.058 500 L CA 0.080 54.787 54.840 -0.222 0.000 0.809 500 L CB 0.687 42.602 42.059 -0.241 0.000 1.179 500 L HN 0.711 nan 8.230 nan 0.000 0.429 501 M N 5.087 124.501 119.600 -0.309 0.000 2.294 501 M HA 0.413 4.893 4.480 -0.001 0.000 0.335 501 M C -1.751 174.328 176.300 -0.368 0.000 1.079 501 M CA -0.482 54.672 55.300 -0.244 0.000 0.982 501 M CB 1.185 33.688 32.600 -0.162 0.000 1.651 501 M HN 0.557 nan 8.290 nan 0.000 0.437 502 Y N 1.816 121.983 120.300 -0.222 0.000 2.364 502 Y HA 0.387 4.937 4.550 -0.001 0.000 0.340 502 Y C 0.008 175.802 175.900 -0.177 0.000 0.975 502 Y CA -0.689 57.290 58.100 -0.202 0.000 1.089 502 Y CB 2.172 40.477 38.460 -0.258 0.000 1.192 502 Y HN 0.471 nan 8.280 nan 0.000 0.454 503 T N 5.407 119.960 114.554 -0.001 0.000 2.753 503 T HA 0.411 4.761 4.350 -0.001 0.000 0.297 503 T C -0.281 174.406 174.700 -0.022 0.000 0.981 503 T CA -0.501 61.581 62.100 -0.031 0.000 0.956 503 T CB 0.014 68.854 68.868 -0.046 0.000 0.936 503 T HN 0.255 nan 8.240 nan 0.000 0.463 504 I N 6.071 126.617 120.570 -0.040 0.000 2.315 504 I HA 0.325 4.495 4.170 -0.001 0.000 0.291 504 I C -2.142 173.947 176.117 -0.046 0.000 1.006 504 I CA -3.397 57.878 61.300 -0.042 0.000 1.265 504 I CB 0.643 38.612 38.000 -0.052 0.000 1.387 504 I HN 0.259 nan 8.210 nan 0.000 0.475 505 P HA 0.069 nan 4.420 nan 0.000 0.271 505 P C -0.242 177.021 177.300 -0.060 0.000 1.233 505 P CA -0.275 62.798 63.100 -0.045 0.000 0.789 505 P CB 0.576 32.257 31.700 -0.031 0.000 0.951 506 A N 1.758 124.523 122.820 -0.091 0.000 2.587 506 A HA -0.008 4.311 4.320 -0.001 0.000 0.235 506 A C -0.188 177.351 177.584 -0.076 0.000 1.044 506 A CA 0.322 52.240 52.037 -0.198 0.000 0.754 506 A CB -1.418 17.447 19.000 -0.225 0.000 0.968 506 A HN 0.676 nan 8.150 nan 0.000 0.509 507 Y N -0.139 120.149 120.300 -0.019 0.000 4.236 507 Y HA -0.227 4.322 4.550 -0.001 0.000 0.220 507 Y C 0.995 176.888 175.900 -0.011 0.000 1.115 507 Y CA 1.129 59.218 58.100 -0.018 0.000 1.811 507 Y CB -2.700 35.738 38.460 -0.037 0.000 1.581 507 Y HN 0.690 nan 8.280 nan 0.000 0.643 508 T N -0.135 114.478 114.554 0.097 0.000 2.929 508 T HA 0.630 4.979 4.350 -0.001 0.000 0.284 508 T C 0.488 175.244 174.700 0.094 0.000 1.014 508 T CA -0.401 61.741 62.100 0.071 0.000 1.051 508 T CB 1.913 70.790 68.868 0.014 0.000 1.028 508 T HN 0.059 nan 8.240 nan 0.000 0.485 509 T N 2.831 117.456 114.554 0.118 0.000 2.841 509 T HA 0.705 5.054 4.350 -0.001 0.000 0.283 509 T C -0.309 174.439 174.700 0.079 0.000 1.000 509 T CA -0.628 61.546 62.100 0.122 0.000 0.977 509 T CB 0.498 69.536 68.868 0.283 0.000 0.979 509 T HN 0.617 nan 8.240 nan 0.000 0.446 510 I N -0.608 119.983 120.570 0.034 0.000 2.828 510 I HA 0.924 5.093 4.170 -0.001 0.000 0.302 510 I C -1.418 174.753 176.117 0.091 0.000 1.101 510 I CA -1.301 60.027 61.300 0.046 0.000 1.031 510 I CB 2.211 40.183 38.000 -0.047 0.000 1.231 510 I HN 0.278 nan 8.210 nan 0.000 0.427 511 V N 5.250 125.251 119.914 0.144 0.000 2.531 511 V HA 0.514 4.634 4.120 -0.001 0.000 0.301 511 V C -0.204 176.020 176.094 0.217 0.000 1.034 511 V CA -0.403 62.022 62.300 0.208 0.000 0.865 511 V CB 1.716 33.736 31.823 0.329 0.000 0.995 511 V HN 0.565 nan 8.190 nan 0.000 0.424 512 L N 3.535 124.909 121.223 0.252 0.000 2.334 512 L HA 0.693 5.033 4.340 -0.001 0.000 0.273 512 L C -0.219 176.877 176.870 0.377 0.000 1.013 512 L CA -0.576 54.432 54.840 0.279 0.000 0.816 512 L CB 2.219 44.411 42.059 0.222 0.000 1.278 512 L HN 0.686 nan 8.230 nan 0.000 0.431 513 E N 2.660 123.052 120.200 0.320 0.000 2.158 513 E HA 0.265 4.614 4.350 -0.001 0.000 0.271 513 E C -1.078 175.544 176.600 0.037 0.000 0.911 513 E CA -0.751 55.773 56.400 0.206 0.000 0.767 513 E CB 1.605 31.394 29.700 0.148 0.000 1.120 513 E HN 0.373 nan 8.360 nan 0.000 0.405 514 K N 3.843 124.133 120.400 -0.183 0.000 2.183 514 K HA 0.252 4.571 4.320 -0.001 0.000 0.274 514 K C -0.661 175.697 176.600 -0.403 0.000 1.009 514 K CA -0.263 55.578 56.287 -0.744 0.000 0.888 514 K CB 0.959 32.838 32.500 -1.035 0.000 1.078 514 K HN 0.584 nan 8.250 nan 0.000 0.459 515 E N 0.000 119.951 120.200 -0.414 0.000 2.725 515 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 515 E CA 0.000 56.263 56.400 -0.228 0.000 0.976 515 E CB 0.000 29.618 29.700 -0.137 0.000 0.812 515 E HN 0.000 nan 8.360 nan 0.000 0.440