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 2iut_1_A DATA FIRST_RESID 315 DATA SEQUENCE LPPLSLLDPA EVKQKSYSPE SLEAMSRLLE IKLKEFGVEV SVDSVHPGPV DATA SEQUENCE ITRFEIQPAA GVKVSRISNL AKDLARSLAV ISVRVVEVIP GKTTVGIEIP DATA SEQUENCE NEDRQMVRFS EVLSSPEYDE HKSTVPLALG HDIGGRPIIT DLAKMPHLLV DATA SEQUENCE AGTTGSGKSV GVNAMLLSIL FKSTPSEARL IMIDPKMLEL SIYEGIPHLL DATA SEQUENCE CPVVTDMKEA ANALRWSVAE MERRYRLMAA MGVRNLAGFN RKVKDAEEAG DATA SEQUENCE TPLTDPLFRR ESPDDEPPQL STLPTIVVVV DEFADMMMIV GKKVEELIAR DATA SEQUENCE IAQKARAAGI HLILATQRPS VDVITGLIKA NIPTRIAFQV SSKIDSRTIL DATA SEQUENCE DQGGAEQLLG HGDMLYLPPG TGLPIRVHGA FVSDDEVHRV VEAWKLRGAP DATA SEQUENCE DYIEDILAG 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 315 L HA 0.000 nan 4.340 nan 0.000 0.249 315 L C 0.000 176.772 176.870 -0.164 0.000 1.165 315 L CA 0.000 54.794 54.840 -0.076 0.000 0.813 315 L CB 0.000 41.974 42.059 -0.142 0.000 0.961 316 P HA 0.180 nan 4.420 nan 0.000 0.267 316 P C -2.539 174.842 177.300 0.134 0.000 1.205 316 P CA -0.639 62.309 63.100 -0.253 0.000 0.765 316 P CB -0.404 30.958 31.700 -0.563 0.000 0.828 317 P HA 0.066 nan 4.420 nan 0.000 0.268 317 P C 1.044 178.439 177.300 0.158 0.000 1.205 317 P CA -0.047 63.123 63.100 0.117 0.000 0.771 317 P CB 1.059 32.782 31.700 0.039 0.000 0.858 318 L N 2.368 123.558 121.223 -0.056 0.000 2.353 318 L HA -0.156 4.185 4.340 0.002 0.000 0.220 318 L C 2.484 179.271 176.870 -0.138 0.000 1.133 318 L CA 1.694 56.339 54.840 -0.326 0.000 0.798 318 L CB -0.776 41.066 42.059 -0.362 0.000 0.922 318 L HN 0.482 nan 8.230 nan 0.000 0.445 319 S N -0.413 115.262 115.700 -0.041 0.000 2.547 319 S HA -0.093 4.379 4.470 0.002 0.000 0.235 319 S C 1.719 176.333 174.600 0.023 0.000 0.980 319 S CA 0.546 58.737 58.200 -0.014 0.000 0.941 319 S CB -0.426 62.770 63.200 -0.005 0.000 0.763 319 S HN 0.449 nan 8.310 nan 0.000 0.532 320 L N 0.330 121.595 121.223 0.070 0.000 2.376 320 L HA 0.230 4.571 4.340 0.002 0.000 0.219 320 L C 0.921 177.857 176.870 0.109 0.000 1.133 320 L CA 0.315 55.217 54.840 0.104 0.000 0.816 320 L CB -0.300 41.862 42.059 0.171 0.000 0.933 320 L HN 0.333 nan 8.230 nan 0.000 0.449 321 L N -0.769 120.507 121.223 0.088 0.000 2.468 321 L HA 0.179 4.521 4.340 0.002 0.000 0.254 321 L C -0.094 176.808 176.870 0.053 0.000 1.171 321 L CA -0.749 54.141 54.840 0.083 0.000 0.809 321 L CB 0.392 42.477 42.059 0.044 0.000 1.155 321 L HN -0.041 nan 8.230 nan 0.000 0.473 322 D N 0.724 121.163 120.400 0.066 0.000 2.302 322 D HA 0.253 4.894 4.640 0.002 0.000 0.248 322 D C -2.191 174.138 176.300 0.048 0.000 1.094 322 D CA -1.035 53.002 54.000 0.061 0.000 0.897 322 D CB 0.936 41.788 40.800 0.087 0.000 1.200 322 D HN 0.196 nan 8.370 nan 0.000 0.429 323 P HA 0.115 nan 4.420 nan 0.000 0.270 323 P C -0.775 176.545 177.300 0.033 0.000 1.223 323 P CA -0.270 62.844 63.100 0.023 0.000 0.785 323 P CB 0.516 32.228 31.700 0.019 0.000 0.923 324 A N 1.941 124.775 122.820 0.024 0.000 2.425 324 A HA 0.162 4.483 4.320 0.002 0.000 0.249 324 A C 0.187 177.788 177.584 0.029 0.000 1.084 324 A CA -0.229 51.826 52.037 0.030 0.000 0.781 324 A CB -0.269 18.748 19.000 0.027 0.000 1.019 324 A HN 0.544 nan 8.150 nan 0.000 0.490 325 E N 0.969 121.187 120.200 0.030 0.000 2.319 325 E HA 0.376 4.728 4.350 0.002 0.000 0.268 325 E C -0.140 176.471 176.600 0.019 0.000 1.050 325 E CA -0.860 55.553 56.400 0.020 0.000 0.878 325 E CB 0.976 30.684 29.700 0.014 0.000 1.066 325 E HN 0.450 nan 8.360 nan 0.000 0.406 326 V N 2.151 122.072 119.914 0.012 0.000 3.230 326 V HA -0.170 3.951 4.120 0.002 0.000 0.302 326 V C 1.012 177.114 176.094 0.013 0.000 1.158 326 V CA 0.858 63.164 62.300 0.010 0.000 1.279 326 V CB 0.046 31.870 31.823 0.001 0.000 0.983 326 V HN 0.812 nan 8.190 nan 0.000 0.506 327 K N 1.918 122.327 120.400 0.015 0.000 2.758 327 K HA 0.248 4.569 4.320 0.002 0.000 0.208 327 K C 0.456 177.056 176.600 0.000 0.000 1.091 327 K CA -0.339 55.963 56.287 0.024 0.000 1.059 327 K CB 0.242 32.772 32.500 0.049 0.000 0.801 327 K HN 0.622 nan 8.250 nan 0.000 0.470 328 Q N 3.085 122.872 119.800 -0.022 0.000 2.604 328 Q HA -0.137 4.204 4.340 0.002 0.000 0.307 328 Q C 0.378 176.314 176.000 -0.108 0.000 1.208 328 Q CA 0.208 55.977 55.803 -0.056 0.000 1.059 328 Q CB 0.567 29.275 28.738 -0.051 0.000 1.127 328 Q HN 0.436 nan 8.270 nan 0.000 0.425 329 K N 1.469 121.768 120.400 -0.168 0.000 2.890 329 K HA 0.073 4.394 4.320 0.002 0.000 0.187 329 K C 0.078 176.238 176.600 -0.733 0.000 1.103 329 K CA 0.916 56.950 56.287 -0.422 0.000 1.284 329 K CB -1.009 31.344 32.500 -0.245 0.000 1.754 329 K HN 0.883 nan 8.250 nan 0.000 0.471 330 S N -0.173 115.095 115.700 -0.720 0.000 3.393 330 S HA -0.168 4.304 4.470 0.002 0.000 0.655 330 S C -1.142 173.081 174.600 -0.630 0.000 0.634 330 S CA 0.392 58.296 58.200 -0.493 0.000 1.428 330 S CB -2.721 60.326 63.200 -0.256 0.000 0.998 330 S HN 0.461 nan 8.310 nan 0.000 0.915 331 Y N 2.349 122.654 120.300 0.010 0.000 2.495 331 Y HA 0.503 5.054 4.550 0.001 0.000 0.362 331 Y C 1.019 176.927 175.900 0.014 0.000 0.956 331 Y CA -0.491 57.618 58.100 0.015 0.000 1.127 331 Y CB 0.281 38.749 38.460 0.013 0.000 1.173 331 Y HN 1.026 nan 8.280 nan 0.000 0.639 332 S N -0.034 115.719 115.700 0.089 0.000 3.116 332 S HA -0.139 4.332 4.470 0.002 0.000 0.373 332 S C -1.840 172.808 174.600 0.080 0.000 1.193 332 S CA -0.681 57.558 58.200 0.065 0.000 0.972 332 S CB 0.704 63.928 63.200 0.040 0.000 0.671 332 S HN 0.349 nan 8.310 nan 0.000 0.488 333 P HA -0.066 nan 4.420 nan 0.000 0.226 333 P C 1.146 178.479 177.300 0.055 0.000 1.146 333 P CA 1.123 64.252 63.100 0.049 0.000 0.773 333 P CB 0.079 31.797 31.700 0.029 0.000 0.772 334 E N -0.261 119.970 120.200 0.052 0.000 2.007 334 E HA -0.158 4.193 4.350 0.002 0.000 0.194 334 E C 2.174 178.812 176.600 0.063 0.000 0.999 334 E CA 1.925 58.354 56.400 0.048 0.000 0.811 334 E CB -0.561 29.162 29.700 0.038 0.000 0.762 334 E HN 0.319 nan 8.360 nan 0.000 0.450 335 S N 1.134 116.880 115.700 0.075 0.000 2.399 335 S HA -0.105 4.366 4.470 0.002 0.000 0.231 335 S C 2.093 176.771 174.600 0.130 0.000 1.022 335 S CA 0.723 58.977 58.200 0.090 0.000 0.983 335 S CB -0.456 62.802 63.200 0.097 0.000 0.803 335 S HN 0.147 nan 8.310 nan 0.000 0.480 336 L N 1.035 122.348 121.223 0.150 0.000 2.141 336 L HA -0.006 4.336 4.340 0.002 0.000 0.209 336 L C 3.164 180.175 176.870 0.236 0.000 1.094 336 L CA 1.465 56.440 54.840 0.226 0.000 0.763 336 L CB -0.517 41.613 42.059 0.119 0.000 0.908 336 L HN 0.377 nan 8.230 nan 0.000 0.437 337 E N 0.776 121.056 120.200 0.133 0.000 2.112 337 E HA -0.152 4.199 4.350 0.002 0.000 0.190 337 E C 2.140 178.789 176.600 0.081 0.000 0.979 337 E CA 1.199 57.661 56.400 0.103 0.000 0.814 337 E CB 0.206 29.944 29.700 0.063 0.000 0.762 337 E HN 0.382 nan 8.360 nan 0.000 0.460 338 A N 1.046 123.906 122.820 0.067 0.000 1.902 338 A HA -0.180 4.142 4.320 0.002 0.000 0.217 338 A C 2.187 179.775 177.584 0.006 0.000 1.181 338 A CA 1.970 54.028 52.037 0.035 0.000 0.623 338 A CB -0.536 18.485 19.000 0.034 0.000 0.818 338 A HN 0.325 nan 8.150 nan 0.000 0.443 339 M N 0.391 119.995 119.600 0.008 0.000 2.175 339 M HA -0.064 4.417 4.480 0.002 0.000 0.264 339 M C 2.094 178.242 176.300 -0.252 0.000 1.063 339 M CA 2.134 57.354 55.300 -0.132 0.000 1.119 339 M CB -0.730 31.781 32.600 -0.149 0.000 1.377 339 M HN 0.306 nan 8.290 nan 0.000 0.415 340 S N 0.142 115.793 115.700 -0.082 0.000 2.368 340 S HA -0.173 4.298 4.470 0.002 0.000 0.225 340 S C 1.974 176.553 174.600 -0.035 0.000 1.030 340 S CA 1.592 59.779 58.200 -0.021 0.000 0.999 340 S CB -0.536 62.776 63.200 0.187 0.000 0.844 340 S HN 0.585 nan 8.310 nan 0.000 0.459 341 R N 1.023 121.517 120.500 -0.010 0.000 2.070 341 R HA -0.023 4.318 4.340 0.002 0.000 0.233 341 R C 2.288 178.571 176.300 -0.028 0.000 1.137 341 R CA 1.262 57.358 56.100 -0.007 0.000 0.945 341 R CB -0.463 29.840 30.300 0.004 0.000 0.845 341 R HN 0.344 nan 8.270 nan 0.000 0.430 342 L N 0.750 121.944 121.223 -0.049 0.000 2.046 342 L HA -0.213 4.128 4.340 0.002 0.000 0.208 342 L C 2.601 179.438 176.870 -0.055 0.000 1.077 342 L CA 1.126 55.936 54.840 -0.050 0.000 0.747 342 L CB -0.372 41.651 42.059 -0.060 0.000 0.896 342 L HN 0.391 nan 8.230 nan 0.000 0.432 343 L N -0.225 120.935 121.223 -0.106 0.000 1.990 343 L HA -0.318 4.023 4.340 0.002 0.000 0.213 343 L C 2.549 179.406 176.870 -0.022 0.000 1.072 343 L CA 1.837 56.619 54.840 -0.096 0.000 0.755 343 L CB -0.301 41.646 42.059 -0.185 0.000 0.889 343 L HN 0.354 nan 8.230 nan 0.000 0.432 344 E N -0.372 119.818 120.200 -0.016 0.000 2.077 344 E HA -0.250 4.101 4.350 0.002 0.000 0.193 344 E C 2.137 178.745 176.600 0.014 0.000 0.989 344 E CA 1.235 57.641 56.400 0.010 0.000 0.800 344 E CB 0.009 29.716 29.700 0.010 0.000 0.746 344 E HN 0.374 nan 8.360 nan 0.000 0.452 345 I N 1.440 122.010 120.570 0.000 0.000 2.099 345 I HA -0.261 3.911 4.170 0.002 0.000 0.239 345 I C 2.121 178.235 176.117 -0.005 0.000 1.066 345 I CA 1.448 62.743 61.300 -0.007 0.000 1.324 345 I CB -1.020 36.971 38.000 -0.017 0.000 1.037 345 I HN 0.047 nan 8.210 nan 0.000 0.401 346 K N 0.729 121.138 120.400 0.015 0.000 2.026 346 K HA -0.081 4.241 4.320 0.002 0.000 0.208 346 K C 2.262 178.971 176.600 0.183 0.000 1.048 346 K CA 1.070 57.390 56.287 0.054 0.000 0.929 346 K CB -0.792 31.774 32.500 0.111 0.000 0.713 346 K HN 0.330 nan 8.250 nan 0.000 0.439 347 L N 1.167 122.514 121.223 0.207 0.000 2.083 347 L HA -0.165 4.176 4.340 0.002 0.000 0.209 347 L C 2.696 179.691 176.870 0.209 0.000 1.083 347 L CA 1.196 56.206 54.840 0.284 0.000 0.752 347 L CB -0.312 41.824 42.059 0.129 0.000 0.899 347 L HN 0.240 nan 8.230 nan 0.000 0.433 348 K N 0.577 121.030 120.400 0.087 0.000 2.057 348 K HA -0.228 4.094 4.320 0.002 0.000 0.207 348 K C 1.794 178.387 176.600 -0.011 0.000 1.049 348 K CA 1.638 57.947 56.287 0.037 0.000 0.931 348 K CB -0.023 32.481 32.500 0.008 0.000 0.714 348 K HN 0.365 nan 8.250 nan 0.000 0.440 349 E N -0.393 119.743 120.200 -0.106 0.000 2.209 349 E HA -0.145 4.207 4.350 0.002 0.000 0.196 349 E C 0.422 176.836 176.600 -0.309 0.000 0.993 349 E CA 0.803 57.050 56.400 -0.254 0.000 0.819 349 E CB -0.085 29.368 29.700 -0.412 0.000 0.745 349 E HN 0.185 nan 8.360 nan 0.000 0.477 350 F N -0.291 119.655 119.950 -0.006 0.000 2.291 350 F HA 0.323 4.851 4.527 0.002 0.000 0.305 350 F C 1.643 177.442 175.800 -0.003 0.000 1.171 350 F CA -0.550 57.447 58.000 -0.004 0.000 1.090 350 F CB 0.375 39.372 39.000 -0.005 0.000 1.436 350 F HN -0.217 nan 8.300 nan 0.000 0.509 351 G N 0.480 109.411 108.800 0.219 0.000 3.316 351 G HA2 0.448 4.409 3.960 0.002 0.000 0.255 351 G HA3 0.448 4.409 3.960 0.002 0.000 0.255 351 G C -1.261 173.694 174.900 0.092 0.000 0.880 351 G CA -0.041 45.126 45.100 0.112 0.000 1.956 351 G HN 0.548 nan 8.290 nan 0.000 0.634 352 V N -3.060 116.913 119.914 0.098 0.000 2.789 352 V HA 0.522 4.643 4.120 0.002 0.000 0.300 352 V C -1.169 174.961 176.094 0.060 0.000 1.184 352 V CA -1.390 60.952 62.300 0.070 0.000 0.930 352 V CB 1.992 33.855 31.823 0.066 0.000 1.041 352 V HN 0.101 nan 8.190 nan 0.000 0.430 353 E N 2.249 122.474 120.200 0.042 0.000 2.249 353 E HA 0.834 5.185 4.350 0.002 0.000 0.280 353 E C -0.980 175.640 176.600 0.033 0.000 1.016 353 E CA -0.215 56.205 56.400 0.034 0.000 0.830 353 E CB 2.136 31.852 29.700 0.025 0.000 1.081 353 E HN 0.763 nan 8.360 nan 0.000 0.395 354 V N 1.381 121.314 119.914 0.033 0.000 3.204 354 V HA 0.396 4.517 4.120 0.002 0.000 0.298 354 V C -1.229 174.884 176.094 0.032 0.000 1.328 354 V CA -0.729 61.592 62.300 0.033 0.000 1.035 354 V CB 2.583 34.429 31.823 0.037 0.000 1.095 354 V HN 0.797 nan 8.190 nan 0.000 0.442 355 S N 1.241 116.962 115.700 0.036 0.000 2.575 355 S HA 0.706 5.177 4.470 0.002 0.000 0.278 355 S C -1.055 173.576 174.600 0.051 0.000 1.139 355 S CA -0.724 57.499 58.200 0.038 0.000 0.954 355 S CB 1.579 64.798 63.200 0.032 0.000 1.054 355 S HN 0.589 nan 8.310 nan 0.000 0.483 356 V N 3.396 123.348 119.914 0.063 0.000 2.479 356 V HA 0.098 4.219 4.120 0.002 0.000 0.281 356 V C 1.207 177.344 176.094 0.073 0.000 1.031 356 V CA 0.293 62.648 62.300 0.093 0.000 1.038 356 V CB 0.858 32.763 31.823 0.137 0.000 0.981 356 V HN 1.118 nan 8.190 nan 0.000 0.478 357 D N 2.771 123.214 120.400 0.072 0.000 2.216 357 D HA 0.014 4.655 4.640 0.002 0.000 0.208 357 D C 0.673 176.992 176.300 0.032 0.000 0.960 357 D CA 1.196 55.227 54.000 0.052 0.000 0.861 357 D CB 0.865 41.700 40.800 0.057 0.000 0.985 357 D HN 0.719 nan 8.370 nan 0.000 0.493 358 S N -1.214 114.499 115.700 0.021 0.000 2.615 358 S HA 0.520 4.991 4.470 0.002 0.000 0.268 358 S C -1.256 173.207 174.600 -0.229 0.000 1.146 358 S CA -0.931 57.209 58.200 -0.099 0.000 0.818 358 S CB 2.010 65.159 63.200 -0.085 0.000 1.111 358 S HN -0.120 nan 8.310 nan 0.000 0.465 359 V N 1.939 121.547 119.914 -0.509 0.000 2.709 359 V HA 0.600 4.721 4.120 0.002 0.000 0.308 359 V C -1.257 174.336 176.094 -0.835 0.000 1.062 359 V CA -0.565 61.352 62.300 -0.639 0.000 0.901 359 V CB 1.796 33.288 31.823 -0.552 0.000 1.003 359 V HN 1.023 nan 8.190 nan 0.000 0.425 360 H N 4.194 123.077 119.070 -0.311 0.000 2.953 360 H HA 0.326 4.883 4.556 0.002 0.000 0.290 360 H C -2.723 172.461 175.328 -0.240 0.000 1.113 360 H CA -1.553 54.371 56.048 -0.206 0.000 1.454 360 H CB 2.121 31.804 29.762 -0.132 0.000 1.525 360 H HN 0.448 nan 8.280 nan 0.000 0.505 361 P HA 0.186 nan 4.420 nan 0.000 0.276 361 P C 0.346 177.513 177.300 -0.222 0.000 1.230 361 P CA 0.032 62.953 63.100 -0.298 0.000 0.776 361 P CB 1.890 33.378 31.700 -0.354 0.000 0.888 362 G N 2.555 111.205 108.800 -0.251 0.000 3.015 362 G HA2 0.509 4.470 3.960 0.002 0.000 0.281 362 G HA3 0.509 4.470 3.960 0.002 0.000 0.281 362 G C -2.281 172.547 174.900 -0.120 0.000 1.386 362 G CA -1.360 43.676 45.100 -0.106 0.000 0.959 362 G HN 0.101 nan 8.290 nan 0.000 0.522 363 P HA 0.015 nan 4.420 nan 0.000 0.217 363 P C 1.398 178.662 177.300 -0.061 0.000 1.150 363 P CA 0.764 63.885 63.100 0.034 0.000 0.832 363 P CB 0.305 32.066 31.700 0.102 0.000 0.787 364 V N -2.065 117.730 119.914 -0.199 0.000 3.090 364 V HA 0.176 4.297 4.120 0.002 0.000 0.237 364 V C 1.077 177.090 176.094 -0.135 0.000 1.209 364 V CA 0.385 62.512 62.300 -0.289 0.000 1.209 364 V CB -0.214 31.111 31.823 -0.829 0.000 0.971 364 V HN -0.055 nan 8.190 nan 0.000 0.477 365 I N -2.604 117.929 120.570 -0.062 0.000 3.206 365 I HA 0.805 4.976 4.170 0.002 0.000 0.313 365 I C -0.591 175.507 176.117 -0.033 0.000 1.103 365 I CA -0.422 60.886 61.300 0.013 0.000 0.985 365 I CB 2.083 40.149 38.000 0.109 0.000 1.240 365 I HN -0.172 nan 8.210 nan 0.000 0.464 366 T N 1.703 116.252 114.554 -0.008 0.000 2.848 366 T HA 0.497 4.849 4.350 0.002 0.000 0.285 366 T C -0.765 173.918 174.700 -0.028 0.000 0.995 366 T CA -0.543 61.495 62.100 -0.104 0.000 0.970 366 T CB 1.268 70.043 68.868 -0.156 0.000 0.976 366 T HN 0.712 nan 8.240 nan 0.000 0.441 367 R N 2.611 123.055 120.500 -0.092 0.000 2.294 367 R HA 0.515 4.856 4.340 0.002 0.000 0.319 367 R C -1.459 174.775 176.300 -0.109 0.000 0.984 367 R CA -0.567 55.545 56.100 0.020 0.000 0.861 367 R CB 0.434 30.770 30.300 0.060 0.000 1.104 367 R HN 0.460 nan 8.270 nan 0.000 0.451 368 F N 3.236 123.225 119.950 0.065 0.000 2.347 368 F HA 0.286 4.814 4.527 0.001 0.000 0.366 368 F C 0.246 176.083 175.800 0.063 0.000 1.107 368 F CA -0.580 57.450 58.000 0.049 0.000 1.058 368 F CB 1.507 40.523 39.000 0.025 0.000 1.236 368 F HN 0.376 nan 8.300 nan 0.000 0.456 369 E N 5.059 125.374 120.200 0.193 0.000 2.316 369 E HA 0.411 4.762 4.350 0.002 0.000 0.275 369 E C -0.271 176.409 176.600 0.133 0.000 1.029 369 E CA -0.262 56.228 56.400 0.150 0.000 0.871 369 E CB 1.369 31.158 29.700 0.147 0.000 1.022 369 E HN 0.593 nan 8.360 nan 0.000 0.418 370 I N -0.565 120.067 120.570 0.104 0.000 2.892 370 I HA 0.434 4.605 4.170 0.002 0.000 0.306 370 I C -0.799 175.352 176.117 0.058 0.000 1.078 370 I CA -1.261 60.088 61.300 0.082 0.000 1.032 370 I CB 1.973 40.018 38.000 0.074 0.000 1.229 370 I HN 0.193 nan 8.210 nan 0.000 0.435 371 Q N 4.874 124.702 119.800 0.048 0.000 2.456 371 Q HA 0.565 4.906 4.340 0.002 0.000 0.252 371 Q C -2.652 173.367 176.000 0.031 0.000 1.042 371 Q CA -1.956 53.869 55.803 0.037 0.000 0.766 371 Q CB 1.238 29.997 28.738 0.034 0.000 1.196 371 Q HN 0.438 nan 8.270 nan 0.000 0.504 372 P HA 0.144 nan 4.420 nan 0.000 0.269 372 P C -1.052 176.261 177.300 0.022 0.000 1.215 372 P CA -0.079 63.036 63.100 0.025 0.000 0.780 372 P CB 0.745 32.457 31.700 0.021 0.000 0.898 373 A N 2.225 125.058 122.820 0.021 0.000 2.386 373 A HA 0.515 4.836 4.320 0.002 0.000 0.248 373 A C 0.478 178.072 177.584 0.016 0.000 1.082 373 A CA -0.061 51.987 52.037 0.018 0.000 0.789 373 A CB -0.403 18.608 19.000 0.018 0.000 1.025 373 A HN 0.620 nan 8.150 nan 0.000 0.490 374 A N 0.174 123.002 122.820 0.014 0.000 2.507 374 A HA 0.481 4.802 4.320 0.002 0.000 0.235 374 A C 1.701 179.292 177.584 0.012 0.000 1.070 374 A CA 1.005 53.049 52.037 0.012 0.000 0.768 374 A CB -0.650 18.356 19.000 0.010 0.000 1.011 374 A HN 2.783 nan 8.150 nan 0.000 0.502 375 G N -0.148 108.658 108.800 0.010 0.000 3.206 375 G HA2 -0.176 3.785 3.960 0.002 0.000 0.217 375 G HA3 -0.176 3.785 3.960 0.002 0.000 0.217 375 G C 0.875 175.781 174.900 0.011 0.000 1.350 375 G CA 0.539 45.645 45.100 0.010 0.000 0.836 375 G HN 2.251 nan 8.290 nan 0.000 0.548 376 V N 3.564 123.486 119.914 0.013 0.000 2.584 376 V HA 0.376 4.498 4.120 0.002 0.000 0.303 376 V C 0.287 176.387 176.094 0.010 0.000 1.035 376 V CA 0.202 62.510 62.300 0.014 0.000 1.172 376 V CB 0.532 32.366 31.823 0.018 0.000 0.896 376 V HN 0.381 nan 8.190 nan 0.000 0.486 377 K N 6.109 126.514 120.400 0.008 0.000 2.349 377 K HA 0.196 4.517 4.320 0.002 0.000 0.288 377 K C 0.976 177.577 176.600 0.001 0.000 1.058 377 K CA -0.072 56.218 56.287 0.004 0.000 0.953 377 K CB 1.240 33.741 32.500 0.003 0.000 0.997 377 K HN 0.610 nan 8.250 nan 0.000 0.477 378 V N 1.884 121.798 119.914 0.001 0.000 2.568 378 V HA -0.274 3.847 4.120 0.002 0.000 0.253 378 V C 2.246 178.335 176.094 -0.008 0.000 1.072 378 V CA 2.302 64.602 62.300 -0.001 0.000 1.084 378 V CB -0.789 31.034 31.823 0.001 0.000 0.676 378 V HN 0.834 nan 8.190 nan 0.000 0.469 379 S N 0.402 116.097 115.700 -0.008 0.000 2.423 379 S HA -0.249 4.222 4.470 0.002 0.000 0.231 379 S C 2.061 176.650 174.600 -0.018 0.000 1.014 379 S CA 1.418 59.611 58.200 -0.012 0.000 0.965 379 S CB -0.499 62.696 63.200 -0.008 0.000 0.785 379 S HN 0.615 nan 8.310 nan 0.000 0.495 380 R N 0.917 121.407 120.500 -0.016 0.000 2.092 380 R HA 0.090 4.432 4.340 0.002 0.000 0.231 380 R C 2.147 178.421 176.300 -0.044 0.000 1.119 380 R CA 1.587 57.675 56.100 -0.021 0.000 0.970 380 R CB -0.377 29.919 30.300 -0.007 0.000 0.864 380 R HN 0.531 nan 8.270 nan 0.000 0.440 381 I N 0.055 120.602 120.570 -0.039 0.000 2.353 381 I HA -0.201 3.970 4.170 0.002 0.000 0.248 381 I C 2.113 178.188 176.117 -0.071 0.000 1.119 381 I CA 0.938 62.203 61.300 -0.059 0.000 1.417 381 I CB -0.212 37.770 38.000 -0.031 0.000 1.078 381 I HN 0.130 nan 8.210 nan 0.000 0.421 382 S N 1.201 116.873 115.700 -0.046 0.000 2.370 382 S HA -0.181 4.290 4.470 0.002 0.000 0.226 382 S C 1.653 176.220 174.600 -0.056 0.000 1.033 382 S CA 1.675 59.850 58.200 -0.042 0.000 1.011 382 S CB -0.434 62.751 63.200 -0.026 0.000 0.852 382 S HN 0.450 nan 8.310 nan 0.000 0.457 383 N N 0.795 119.460 118.700 -0.059 0.000 2.459 383 N HA 0.078 4.819 4.740 0.002 0.000 0.181 383 N C 0.832 176.281 175.510 -0.103 0.000 1.046 383 N CA 0.363 53.375 53.050 -0.063 0.000 0.904 383 N CB -0.171 38.289 38.487 -0.045 0.000 0.964 383 N HN 0.170 nan 8.380 nan 0.000 0.444 384 L N -0.090 121.038 121.223 -0.158 0.000 2.591 384 L HA 0.301 4.643 4.340 0.002 0.000 0.228 384 L C 1.910 178.621 176.870 -0.265 0.000 1.133 384 L CA 0.021 54.687 54.840 -0.290 0.000 0.880 384 L CB -0.952 40.838 42.059 -0.448 0.000 1.033 384 L HN 0.038 nan 8.230 nan 0.000 0.450 385 A N -0.113 122.616 122.820 -0.152 0.000 1.881 385 A HA -0.322 3.999 4.320 0.002 0.000 0.219 385 A C 2.396 179.923 177.584 -0.094 0.000 1.215 385 A CA 2.130 54.105 52.037 -0.105 0.000 0.648 385 A CB -0.440 18.525 19.000 -0.057 0.000 0.832 385 A HN 0.247 nan 8.150 nan 0.000 0.455 386 K N -0.187 120.168 120.400 -0.075 0.000 2.001 386 K HA -0.160 4.161 4.320 0.002 0.000 0.214 386 K C 1.668 178.239 176.600 -0.048 0.000 1.050 386 K CA 1.965 58.224 56.287 -0.046 0.000 0.934 386 K CB -0.538 31.943 32.500 -0.031 0.000 0.718 386 K HN 0.514 nan 8.250 nan 0.000 0.443 387 D N -0.235 120.112 120.400 -0.090 0.000 2.144 387 D HA -0.146 4.495 4.640 0.002 0.000 0.199 387 D C 1.763 178.046 176.300 -0.028 0.000 0.984 387 D CA 0.721 54.692 54.000 -0.048 0.000 0.834 387 D CB -0.170 40.565 40.800 -0.108 0.000 0.955 387 D HN 0.063 nan 8.370 nan 0.000 0.465 388 L N 0.702 121.798 121.223 -0.211 0.000 2.056 388 L HA 0.016 4.357 4.340 0.002 0.000 0.207 388 L C 2.090 178.970 176.870 0.016 0.000 1.078 388 L CA 1.627 56.411 54.840 -0.093 0.000 0.749 388 L CB -0.806 41.143 42.059 -0.183 0.000 0.901 388 L HN -0.027 nan 8.230 nan 0.000 0.433 389 A N -0.158 122.654 122.820 -0.013 0.000 1.883 389 A HA -0.275 4.047 4.320 0.002 0.000 0.217 389 A C 2.551 180.152 177.584 0.029 0.000 1.186 389 A CA 1.975 54.016 52.037 0.006 0.000 0.624 389 A CB -0.720 18.282 19.000 0.002 0.000 0.822 389 A HN 0.530 nan 8.150 nan 0.000 0.444 390 R N 0.373 120.897 120.500 0.041 0.000 2.082 390 R HA -0.163 4.178 4.340 0.002 0.000 0.234 390 R C 2.431 178.773 176.300 0.071 0.000 1.136 390 R CA 2.300 58.432 56.100 0.054 0.000 0.935 390 R CB -0.471 29.868 30.300 0.065 0.000 0.842 390 R HN 0.627 nan 8.270 nan 0.000 0.430 391 S N 0.082 115.856 115.700 0.123 0.000 2.493 391 S HA -0.099 4.372 4.470 0.002 0.000 0.243 391 S C 1.779 176.420 174.600 0.068 0.000 0.991 391 S CA 0.978 59.248 58.200 0.117 0.000 0.957 391 S CB -0.177 63.156 63.200 0.222 0.000 0.756 391 S HN 0.412 nan 8.310 nan 0.000 0.521 392 L N 0.115 121.370 121.223 0.053 0.000 2.616 392 L HA 0.442 4.783 4.340 0.002 0.000 0.229 392 L C 1.497 178.375 176.870 0.014 0.000 1.110 392 L CA 0.276 55.128 54.840 0.019 0.000 0.884 392 L CB -0.290 41.768 42.059 -0.002 0.000 1.115 392 L HN 0.408 nan 8.230 nan 0.000 0.481 393 A N 0.422 123.255 122.820 0.022 0.000 2.872 393 A HA -0.159 4.162 4.320 0.002 0.000 0.273 393 A C 0.410 178.006 177.584 0.019 0.000 1.442 393 A CA 0.834 52.883 52.037 0.020 0.000 0.801 393 A CB -2.542 16.468 19.000 0.016 0.000 1.031 393 A HN 0.297 nan 8.150 nan 0.000 0.582 394 V N -3.168 116.758 119.914 0.019 0.000 2.850 394 V HA 0.744 4.866 4.120 0.002 0.000 0.315 394 V C 1.462 177.571 176.094 0.025 0.000 1.064 394 V CA -0.247 62.067 62.300 0.023 0.000 0.979 394 V CB 1.620 33.455 31.823 0.021 0.000 1.039 394 V HN 0.600 nan 8.190 nan 0.000 0.452 395 I N 0.919 121.507 120.570 0.029 0.000 2.315 395 I HA -0.014 4.157 4.170 0.002 0.000 0.248 395 I C 0.878 177.011 176.117 0.028 0.000 1.117 395 I CA 1.448 62.766 61.300 0.030 0.000 1.404 395 I CB 0.380 38.402 38.000 0.036 0.000 1.071 395 I HN 0.871 nan 8.210 nan 0.000 0.419 396 S N -1.321 114.398 115.700 0.031 0.000 2.570 396 S HA 0.582 5.053 4.470 0.002 0.000 0.270 396 S C -1.144 173.474 174.600 0.030 0.000 1.149 396 S CA -0.557 57.660 58.200 0.029 0.000 0.837 396 S CB 2.659 65.882 63.200 0.038 0.000 1.124 396 S HN -0.116 nan 8.310 nan 0.000 0.465 397 V N 1.914 121.841 119.914 0.022 0.000 2.733 397 V HA 0.563 4.684 4.120 0.002 0.000 0.306 397 V C -0.603 175.505 176.094 0.022 0.000 1.084 397 V CA -0.659 61.655 62.300 0.023 0.000 0.905 397 V CB 1.998 33.820 31.823 -0.001 0.000 1.010 397 V HN 0.779 nan 8.190 nan 0.000 0.424 398 R N 3.502 124.025 120.500 0.038 0.000 2.387 398 R HA 0.719 5.060 4.340 0.002 0.000 0.314 398 R C -1.589 174.728 176.300 0.029 0.000 0.958 398 R CA -0.377 55.742 56.100 0.033 0.000 0.846 398 R CB 1.844 32.171 30.300 0.045 0.000 1.147 398 R HN 0.524 nan 8.270 nan 0.000 0.447 399 V N 5.502 125.424 119.914 0.012 0.000 2.364 399 V HA 0.213 4.335 4.120 0.002 0.000 0.272 399 V C -0.001 176.099 176.094 0.010 0.000 1.036 399 V CA -0.680 61.625 62.300 0.009 0.000 0.880 399 V CB 1.540 33.358 31.823 -0.010 0.000 0.991 399 V HN 0.485 nan 8.190 nan 0.000 0.460 400 V N 5.244 125.169 119.914 0.018 0.000 2.320 400 V HA 0.209 4.331 4.120 0.002 0.000 0.265 400 V C 1.241 177.340 176.094 0.008 0.000 1.048 400 V CA -0.151 62.155 62.300 0.011 0.000 0.865 400 V CB 0.621 32.452 31.823 0.014 0.000 1.043 400 V HN 0.955 nan 8.190 nan 0.000 0.474 401 E N 2.821 123.021 120.200 0.001 0.000 2.118 401 E HA -0.122 4.230 4.350 0.002 0.000 0.195 401 E C 0.666 177.266 176.600 0.000 0.000 0.992 401 E CA 1.306 57.705 56.400 -0.000 0.000 0.804 401 E CB 0.422 30.119 29.700 -0.005 0.000 0.741 401 E HN 0.604 nan 8.360 nan 0.000 0.458 402 V N -0.343 119.568 119.914 -0.004 0.000 2.733 402 V HA 0.392 4.513 4.120 0.002 0.000 0.306 402 V C -1.165 174.923 176.094 -0.010 0.000 1.084 402 V CA -0.808 61.489 62.300 -0.005 0.000 0.905 402 V CB 1.765 33.583 31.823 -0.008 0.000 1.010 402 V HN -0.030 nan 8.190 nan 0.000 0.424 403 I N 6.647 127.212 120.570 -0.009 0.000 2.337 403 I HA 0.403 4.574 4.170 0.002 0.000 0.285 403 I C -2.243 173.861 176.117 -0.021 0.000 1.041 403 I CA -1.938 59.352 61.300 -0.018 0.000 1.199 403 I CB 1.632 39.623 38.000 -0.015 0.000 1.370 403 I HN 0.481 nan 8.210 nan 0.000 0.470 404 P HA -0.134 nan 4.420 nan 0.000 0.260 404 P C 0.958 178.243 177.300 -0.024 0.000 1.147 404 P CA 1.147 64.232 63.100 -0.026 0.000 0.758 404 P CB 0.315 31.996 31.700 -0.031 0.000 0.744 405 G N 1.699 110.488 108.800 -0.017 0.000 2.162 405 G HA2 -0.264 3.697 3.960 0.002 0.000 0.260 405 G HA3 -0.264 3.697 3.960 0.002 0.000 0.260 405 G C 0.015 174.910 174.900 -0.009 0.000 0.976 405 G CA 0.270 45.361 45.100 -0.014 0.000 0.655 405 G HN 0.589 nan 8.290 nan 0.000 0.533 406 K N -1.568 118.827 120.400 -0.007 0.000 2.495 406 K HA 0.630 4.951 4.320 0.002 0.000 0.268 406 K C 1.022 177.624 176.600 0.004 0.000 1.008 406 K CA -0.239 56.048 56.287 0.001 0.000 0.882 406 K CB 1.277 33.778 32.500 0.002 0.000 1.443 406 K HN 0.190 nan 8.250 nan 0.000 0.447 407 T N -3.087 111.473 114.554 0.010 0.000 3.086 407 T HA 0.006 4.357 4.350 0.002 0.000 0.250 407 T C 0.761 175.471 174.700 0.016 0.000 1.074 407 T CA -0.058 62.048 62.100 0.011 0.000 0.988 407 T CB -0.341 68.534 68.868 0.012 0.000 0.988 407 T HN 0.657 nan 8.240 nan 0.000 0.530 408 T N 0.432 114.998 114.554 0.021 0.000 2.882 408 T HA 0.624 4.975 4.350 0.002 0.000 0.287 408 T C -0.049 174.668 174.700 0.028 0.000 1.014 408 T CA -0.696 61.422 62.100 0.031 0.000 1.049 408 T CB 1.399 70.294 68.868 0.045 0.000 1.001 408 T HN 0.043 nan 8.240 nan 0.000 0.525 409 V N 1.077 121.013 119.914 0.036 0.000 2.547 409 V HA 0.701 4.823 4.120 0.002 0.000 0.299 409 V C 0.916 177.041 176.094 0.051 0.000 1.040 409 V CA -0.666 61.654 62.300 0.034 0.000 0.913 409 V CB 1.701 33.541 31.823 0.029 0.000 0.992 409 V HN 1.235 nan 8.190 nan 0.000 0.449 410 G N 4.046 112.874 108.800 0.047 0.000 2.367 410 G HA2 0.650 4.611 3.960 0.002 0.000 0.314 410 G HA3 0.650 4.611 3.960 0.002 0.000 0.314 410 G C -0.902 174.045 174.900 0.078 0.000 1.130 410 G CA -0.378 44.764 45.100 0.069 0.000 0.864 410 G HN 0.433 nan 8.290 nan 0.000 0.486 411 I N 1.731 122.376 120.570 0.125 0.000 2.448 411 I HA 0.269 4.440 4.170 0.002 0.000 0.281 411 I C -0.343 175.885 176.117 0.185 0.000 1.027 411 I CA -0.591 60.781 61.300 0.120 0.000 1.111 411 I CB 1.472 39.535 38.000 0.106 0.000 1.236 411 I HN 0.519 nan 8.210 nan 0.000 0.452 412 E N 6.670 126.951 120.200 0.136 0.000 2.156 412 E HA 0.598 4.949 4.350 0.002 0.000 0.279 412 E C -0.723 175.965 176.600 0.146 0.000 0.965 412 E CA -0.491 56.002 56.400 0.155 0.000 0.789 412 E CB 2.562 32.327 29.700 0.109 0.000 1.098 412 E HN 0.427 nan 8.360 nan 0.000 0.397 413 I N 4.601 125.286 120.570 0.192 0.000 2.436 413 I HA 0.286 4.457 4.170 0.002 0.000 0.289 413 I C -2.363 173.828 176.117 0.123 0.000 1.010 413 I CA -2.704 58.686 61.300 0.150 0.000 1.098 413 I CB 1.879 39.983 38.000 0.173 0.000 1.266 413 I HN 0.203 nan 8.210 nan 0.000 0.434 414 P HA 0.047 nan 4.420 nan 0.000 0.265 414 P C -1.011 176.329 177.300 0.066 0.000 1.193 414 P CA 0.067 63.207 63.100 0.066 0.000 0.765 414 P CB 0.230 31.966 31.700 0.060 0.000 0.823 415 N N 1.693 120.421 118.700 0.048 0.000 2.525 415 N HA 0.023 4.764 4.740 0.002 0.000 0.271 415 N C 1.102 176.663 175.510 0.085 0.000 1.194 415 N CA -0.445 52.652 53.050 0.077 0.000 0.964 415 N CB 0.681 39.215 38.487 0.079 0.000 1.126 415 N HN 0.452 nan 8.380 nan 0.000 0.452 416 E N 0.553 120.814 120.200 0.102 0.000 2.049 416 E HA -0.220 4.131 4.350 0.002 0.000 0.198 416 E C -0.112 176.523 176.600 0.059 0.000 1.007 416 E CA 1.120 57.564 56.400 0.074 0.000 0.809 416 E CB 0.053 29.796 29.700 0.072 0.000 0.749 416 E HN 0.503 nan 8.360 nan 0.000 0.450 417 D N 0.310 120.756 120.400 0.076 0.000 2.479 417 D HA 0.120 4.761 4.640 0.002 0.000 0.247 417 D C -0.999 175.340 176.300 0.065 0.000 1.119 417 D CA -0.318 53.711 54.000 0.049 0.000 0.922 417 D CB 0.143 40.961 40.800 0.029 0.000 1.014 417 D HN -0.082 nan 8.370 nan 0.000 0.510 418 R N 1.769 122.289 120.500 0.033 0.000 2.442 418 R HA 0.179 4.520 4.340 0.002 0.000 0.291 418 R C 0.500 176.799 176.300 -0.003 0.000 1.069 418 R CA -0.219 55.887 56.100 0.011 0.000 1.022 418 R CB 0.548 30.832 30.300 -0.027 0.000 0.976 418 R HN 0.400 nan 8.270 nan 0.000 0.443 419 Q N 3.539 123.345 119.800 0.010 0.000 2.256 419 Q HA 0.235 4.576 4.340 0.002 0.000 0.254 419 Q C -0.242 175.746 176.000 -0.020 0.000 0.916 419 Q CA -0.569 55.237 55.803 0.005 0.000 0.932 419 Q CB 1.549 30.311 28.738 0.041 0.000 1.207 419 Q HN 0.523 nan 8.270 nan 0.000 0.426 420 M N 2.829 122.408 119.600 -0.035 0.000 2.250 420 M HA 0.137 4.618 4.480 0.002 0.000 0.325 420 M C -1.145 175.151 176.300 -0.007 0.000 1.084 420 M CA -0.197 55.080 55.300 -0.038 0.000 1.161 420 M CB 0.810 33.364 32.600 -0.078 0.000 1.481 420 M HN 0.624 nan 8.290 nan 0.000 0.449 421 V N 6.091 126.010 119.914 0.008 0.000 2.311 421 V HA 0.383 4.504 4.120 0.002 0.000 0.275 421 V C 0.017 176.130 176.094 0.030 0.000 1.022 421 V CA -0.560 61.705 62.300 -0.058 0.000 0.830 421 V CB 0.879 32.618 31.823 -0.139 0.000 1.012 421 V HN 0.834 nan 8.190 nan 0.000 0.452 422 R N 2.918 123.438 120.500 0.033 0.000 2.441 422 R HA 0.293 4.634 4.340 0.002 0.000 0.284 422 R C 1.006 177.369 176.300 0.105 0.000 1.070 422 R CA -0.393 55.778 56.100 0.118 0.000 1.047 422 R CB 1.058 31.423 30.300 0.109 0.000 1.016 422 R HN 0.731 nan 8.270 nan 0.000 0.477 423 F N 1.921 121.844 119.950 -0.045 0.000 2.091 423 F HA -0.345 4.186 4.527 0.007 0.000 0.299 423 F C 2.488 178.213 175.800 -0.124 0.000 1.103 423 F CA 2.065 60.009 58.000 -0.093 0.000 1.228 423 F CB 0.078 39.019 39.000 -0.098 0.000 0.984 423 F HN 0.635 nan 8.300 nan 0.000 0.477 424 S N -0.667 114.991 115.700 -0.070 0.000 2.402 424 S HA -0.312 4.159 4.470 0.002 0.000 0.233 424 S C 1.803 176.297 174.600 -0.177 0.000 1.030 424 S CA 1.572 59.654 58.200 -0.196 0.000 1.003 424 S CB -0.721 62.429 63.200 -0.084 0.000 0.813 424 S HN 0.682 nan 8.310 nan 0.000 0.477 425 E N 0.696 120.842 120.200 -0.090 0.000 2.072 425 E HA -0.078 4.273 4.350 0.002 0.000 0.190 425 E C 1.911 178.503 176.600 -0.014 0.000 0.982 425 E CA 1.241 57.623 56.400 -0.030 0.000 0.803 425 E CB -0.087 29.615 29.700 0.004 0.000 0.755 425 E HN 0.484 nan 8.360 nan 0.000 0.453 426 V N 1.397 121.266 119.914 -0.075 0.000 2.307 426 V HA -0.229 3.893 4.120 0.002 0.000 0.245 426 V C 2.362 178.334 176.094 -0.204 0.000 1.045 426 V CA 1.294 63.572 62.300 -0.036 0.000 1.024 426 V CB -0.439 31.354 31.823 -0.051 0.000 0.651 426 V HN 0.350 nan 8.190 nan 0.000 0.449 427 L N 1.162 122.081 121.223 -0.507 0.000 2.362 427 L HA -0.065 4.277 4.340 0.002 0.000 0.219 427 L C 2.368 179.099 176.870 -0.232 0.000 1.134 427 L CA 1.497 55.933 54.840 -0.674 0.000 0.807 427 L CB -0.713 40.684 42.059 -1.104 0.000 0.927 427 L HN 0.555 nan 8.230 nan 0.000 0.447 428 S N -1.164 114.436 115.700 -0.167 0.000 2.603 428 S HA -0.001 4.470 4.470 0.002 0.000 0.220 428 S C 0.985 175.585 174.600 0.000 0.000 0.967 428 S CA -0.194 57.966 58.200 -0.067 0.000 0.920 428 S CB -0.457 62.703 63.200 -0.068 0.000 0.773 428 S HN 0.418 nan 8.310 nan 0.000 0.529 429 S N 2.011 117.726 115.700 0.025 0.000 2.584 429 S HA 0.373 4.844 4.470 0.002 0.000 0.273 429 S C -1.340 173.307 174.600 0.079 0.000 1.311 429 S CA -1.241 56.990 58.200 0.052 0.000 1.034 429 S CB 1.106 64.343 63.200 0.061 0.000 0.939 429 S HN 0.138 nan 8.310 nan 0.000 0.513 430 P HA -0.109 nan 4.420 nan 0.000 0.218 430 P C 0.857 178.194 177.300 0.061 0.000 1.149 430 P CA 1.191 64.317 63.100 0.044 0.000 0.817 430 P CB 0.024 31.737 31.700 0.021 0.000 0.785 431 E N -0.937 119.312 120.200 0.081 0.000 2.130 431 E HA -0.216 4.135 4.350 0.002 0.000 0.196 431 E C 2.076 178.791 176.600 0.190 0.000 0.998 431 E CA 1.348 57.816 56.400 0.113 0.000 0.806 431 E CB -1.037 28.736 29.700 0.122 0.000 0.738 431 E HN 0.400 nan 8.360 nan 0.000 0.459 432 Y N 0.771 121.111 120.300 0.067 0.000 2.230 432 Y HA -0.041 4.512 4.550 0.005 0.000 0.294 432 Y C 1.981 177.918 175.900 0.061 0.000 1.120 432 Y CA 1.340 59.477 58.100 0.061 0.000 1.129 432 Y CB -0.025 38.418 38.460 -0.028 0.000 1.040 432 Y HN -0.030 nan 8.280 nan 0.000 0.519 433 D N 0.465 120.902 120.400 0.061 0.000 2.228 433 D HA -0.202 4.439 4.640 0.002 0.000 0.203 433 D C 0.680 176.934 176.300 -0.076 0.000 0.988 433 D CA 1.474 55.462 54.000 -0.020 0.000 0.864 433 D CB 0.067 40.893 40.800 0.044 0.000 0.928 433 D HN 0.622 nan 8.370 nan 0.000 0.469 434 E N -0.783 119.388 120.200 -0.049 0.000 2.558 434 E HA 0.023 4.374 4.350 0.002 0.000 0.205 434 E C 0.181 176.740 176.600 -0.068 0.000 1.006 434 E CA -0.349 56.020 56.400 -0.051 0.000 0.961 434 E CB 0.605 30.284 29.700 -0.035 0.000 1.044 434 E HN 0.253 nan 8.360 nan 0.000 0.465 435 H N 1.552 120.527 119.070 -0.159 0.000 2.764 435 H HA 0.084 4.642 4.556 0.003 0.000 0.341 435 H C 0.861 176.119 175.328 -0.116 0.000 1.072 435 H CA 0.550 56.519 56.048 -0.133 0.000 1.444 435 H CB 0.970 30.626 29.762 -0.177 0.000 1.458 435 H HN -0.090 nan 8.280 nan 0.000 0.572 436 K N 2.316 122.675 120.400 -0.068 0.000 2.284 436 K HA -0.015 4.307 4.320 0.002 0.000 0.198 436 K C 1.000 177.660 176.600 0.099 0.000 1.048 436 K CA 0.057 56.347 56.287 0.005 0.000 0.987 436 K CB 0.046 32.516 32.500 -0.049 0.000 0.800 436 K HN 0.405 nan 8.250 nan 0.000 0.486 437 S N 0.698 116.551 115.700 0.256 0.000 2.560 437 S HA -0.035 4.436 4.470 0.002 0.000 0.276 437 S C 1.139 175.794 174.600 0.092 0.000 1.350 437 S CA 0.312 58.618 58.200 0.176 0.000 1.024 437 S CB 0.647 63.977 63.200 0.217 0.000 0.864 437 S HN 0.244 nan 8.310 nan 0.000 0.536 438 T N 1.874 116.461 114.554 0.055 0.000 3.043 438 T HA 0.061 4.412 4.350 0.002 0.000 0.263 438 T C 0.525 175.244 174.700 0.032 0.000 1.094 438 T CA 1.023 63.154 62.100 0.050 0.000 1.127 438 T CB -0.083 68.820 68.868 0.058 0.000 0.905 438 T HN 0.791 nan 8.240 nan 0.000 0.490 439 V N 0.683 120.591 119.914 -0.010 0.000 2.361 439 V HA 0.479 4.601 4.120 0.002 0.000 0.252 439 V C -3.033 173.011 176.094 -0.083 0.000 0.986 439 V CA -2.610 59.669 62.300 -0.036 0.000 1.033 439 V CB 0.570 32.351 31.823 -0.070 0.000 1.282 439 V HN -0.009 nan 8.190 nan 0.000 0.514 440 P HA 0.508 nan 4.420 nan 0.000 0.276 440 P C -0.793 176.477 177.300 -0.050 0.000 1.244 440 P CA -0.368 62.577 63.100 -0.258 0.000 0.801 440 P CB 2.130 33.522 31.700 -0.514 0.000 1.006 441 L N 0.995 122.183 121.223 -0.059 0.000 2.406 441 L HA 0.482 4.823 4.340 0.002 0.000 0.270 441 L C 0.203 177.083 176.870 0.018 0.000 0.982 441 L CA -0.999 53.847 54.840 0.010 0.000 0.843 441 L CB 1.822 43.860 42.059 -0.034 0.000 1.225 441 L HN 0.332 nan 8.230 nan 0.000 0.412 442 A N 4.206 127.073 122.820 0.079 0.000 2.539 442 A HA 0.417 4.738 4.320 0.002 0.000 0.306 442 A C 1.070 178.712 177.584 0.097 0.000 1.392 442 A CA -0.329 51.740 52.037 0.053 0.000 1.060 442 A CB 0.144 19.088 19.000 -0.094 0.000 1.134 442 A HN 0.873 nan 8.150 nan 0.000 0.542 443 L N 2.306 123.541 121.223 0.020 0.000 2.072 443 L HA 0.168 4.509 4.340 0.002 0.000 0.205 443 L C 1.614 178.533 176.870 0.082 0.000 1.079 443 L CA 1.374 56.218 54.840 0.007 0.000 0.752 443 L CB -0.499 41.474 42.059 -0.143 0.000 0.906 443 L HN 0.860 nan 8.230 nan 0.000 0.436 444 G N -2.571 106.291 108.800 0.104 0.000 2.491 444 G HA2 0.080 4.041 3.960 0.002 0.000 0.183 444 G HA3 0.080 4.041 3.960 0.002 0.000 0.183 444 G C -1.640 173.431 174.900 0.286 0.000 1.221 444 G CA -0.752 44.435 45.100 0.145 0.000 0.996 444 G HN 0.007 nan 8.290 nan 0.000 0.474 445 H N 1.237 120.368 119.070 0.102 0.000 2.529 445 H HA 0.605 5.164 4.556 0.005 0.000 0.348 445 H C -0.202 175.151 175.328 0.041 0.000 1.152 445 H CA -0.319 55.784 56.048 0.093 0.000 1.202 445 H CB 1.607 31.457 29.762 0.146 0.000 1.562 445 H HN 0.758 nan 8.280 nan 0.000 0.515 446 D N 0.894 121.355 120.400 0.102 0.000 2.447 446 D HA -0.015 4.626 4.640 0.002 0.000 0.265 446 D C 1.674 177.986 176.300 0.020 0.000 1.250 446 D CA -0.577 53.414 54.000 -0.015 0.000 1.046 446 D CB 0.539 41.330 40.800 -0.015 0.000 1.095 446 D HN 0.616 nan 8.370 nan 0.000 0.555 447 I N -3.727 116.823 120.570 -0.033 0.000 2.657 447 I HA 0.044 4.215 4.170 0.002 0.000 0.261 447 I C 1.441 177.623 176.117 0.108 0.000 1.212 447 I CA 1.396 62.760 61.300 0.107 0.000 1.453 447 I CB -0.599 37.434 38.000 0.054 0.000 1.092 447 I HN 0.365 nan 8.210 nan 0.000 0.452 448 G N 0.353 109.182 108.800 0.049 0.000 3.088 448 G HA2 0.367 4.329 3.960 0.002 0.000 0.217 448 G HA3 0.367 4.329 3.960 0.002 0.000 0.217 448 G C 1.210 176.128 174.900 0.030 0.000 1.159 448 G CA 0.270 45.385 45.100 0.026 0.000 0.760 448 G HN 0.759 nan 8.290 nan 0.000 0.550 449 G N 0.131 108.971 108.800 0.066 0.000 2.132 449 G HA2 -0.257 3.704 3.960 0.002 0.000 0.234 449 G HA3 -0.257 3.704 3.960 0.002 0.000 0.234 449 G C 0.390 175.111 174.900 -0.298 0.000 0.989 449 G CA -0.109 45.009 45.100 0.029 0.000 0.676 449 G HN 0.668 nan 8.290 nan 0.000 0.522 450 R N 1.131 121.509 120.500 -0.203 0.000 2.410 450 R HA 0.476 4.817 4.340 0.002 0.000 0.288 450 R C -2.240 173.902 176.300 -0.264 0.000 1.051 450 R CA -1.703 54.254 56.100 -0.238 0.000 1.021 450 R CB 0.996 31.238 30.300 -0.097 0.000 1.032 450 R HN 0.172 nan 8.270 nan 0.000 0.481 451 P HA 0.019 nan 4.420 nan 0.000 0.268 451 P C -0.489 176.835 177.300 0.040 0.000 1.204 451 P CA 0.250 63.335 63.100 -0.025 0.000 0.768 451 P CB 0.763 32.472 31.700 0.015 0.000 0.842 452 I N 5.241 125.864 120.570 0.089 0.000 2.428 452 I HA 0.283 4.455 4.170 0.002 0.000 0.279 452 I C 0.161 176.306 176.117 0.048 0.000 1.040 452 I CA -0.709 60.628 61.300 0.061 0.000 1.171 452 I CB 0.791 38.816 38.000 0.042 0.000 1.312 452 I HN 0.188 nan 8.210 nan 0.000 0.470 453 I N 5.621 126.237 120.570 0.075 0.000 2.354 453 I HA 0.382 4.553 4.170 0.002 0.000 0.292 453 I C 0.852 177.007 176.117 0.064 0.000 0.989 453 I CA -0.275 61.072 61.300 0.078 0.000 1.188 453 I CB 1.627 39.727 38.000 0.166 0.000 1.342 453 I HN 0.471 nan 8.210 nan 0.000 0.457 454 T N 1.097 115.640 114.554 -0.018 0.000 2.919 454 T HA 0.563 4.914 4.350 0.002 0.000 0.282 454 T C -0.757 173.906 174.700 -0.061 0.000 1.020 454 T CA -0.685 61.415 62.100 -0.000 0.000 0.994 454 T CB 2.585 71.410 68.868 -0.072 0.000 1.180 454 T HN 0.442 nan 8.240 nan 0.000 0.566 455 D N 0.509 120.912 120.400 0.005 0.000 2.473 455 D HA 0.239 4.880 4.640 0.002 0.000 0.253 455 D C 0.906 177.173 176.300 -0.056 0.000 1.233 455 D CA -0.735 53.248 54.000 -0.028 0.000 0.908 455 D CB 1.162 42.034 40.800 0.120 0.000 1.170 455 D HN 0.534 nan 8.370 nan 0.000 0.558 456 L N 3.045 124.197 121.223 -0.119 0.000 2.127 456 L HA -0.179 4.163 4.340 0.002 0.000 0.211 456 L C 1.883 178.550 176.870 -0.337 0.000 1.089 456 L CA 1.684 56.421 54.840 -0.173 0.000 0.757 456 L CB -0.125 41.823 42.059 -0.185 0.000 0.899 456 L HN 0.520 nan 8.230 nan 0.000 0.434 457 A N -0.478 122.102 122.820 -0.401 0.000 2.019 457 A HA -0.178 4.144 4.320 0.002 0.000 0.219 457 A C 1.998 179.498 177.584 -0.140 0.000 1.164 457 A CA 1.294 53.042 52.037 -0.481 0.000 0.644 457 A CB -0.186 18.674 19.000 -0.233 0.000 0.805 457 A HN 0.330 nan 8.150 nan 0.000 0.449 458 K N -0.846 119.513 120.400 -0.068 0.000 2.393 458 K HA 0.253 4.574 4.320 0.002 0.000 0.193 458 K C 1.593 178.193 176.600 0.000 0.000 1.026 458 K CA 0.268 56.553 56.287 -0.004 0.000 1.064 458 K CB -0.231 32.285 32.500 0.027 0.000 0.833 458 K HN 0.559 nan 8.250 nan 0.000 0.521 459 M N 1.385 120.974 119.600 -0.019 0.000 2.086 459 M HA -0.105 4.376 4.480 0.002 0.000 0.261 459 M C -0.705 175.600 176.300 0.008 0.000 1.067 459 M CA 1.954 57.264 55.300 0.016 0.000 1.116 459 M CB -0.892 31.730 32.600 0.035 0.000 1.348 459 M HN -0.103 nan 8.290 nan 0.000 0.407 460 P HA 0.122 nan 4.420 nan 0.000 0.275 460 P C -0.553 176.519 177.300 -0.380 0.000 1.310 460 P CA 0.712 63.710 63.100 -0.170 0.000 0.904 460 P CB 0.406 32.005 31.700 -0.168 0.000 1.381 461 H N -0.171 118.971 119.070 0.120 0.000 2.821 461 H HA 0.519 5.076 4.556 0.002 0.000 0.373 461 H C -0.870 174.494 175.328 0.062 0.000 1.165 461 H CA -0.815 55.285 56.048 0.087 0.000 1.154 461 H CB 2.446 32.238 29.762 0.049 0.000 1.765 461 H HN -0.081 nan 8.280 nan 0.000 0.549 462 L N 2.129 123.453 121.223 0.169 0.000 2.410 462 L HA 0.436 4.777 4.340 0.002 0.000 0.270 462 L C -1.552 175.370 176.870 0.086 0.000 0.983 462 L CA -0.420 54.490 54.840 0.117 0.000 0.822 462 L CB 1.558 43.678 42.059 0.101 0.000 1.285 462 L HN 0.469 nan 8.230 nan 0.000 0.409 463 L N 5.451 126.727 121.223 0.088 0.000 2.307 463 L HA 0.746 5.088 4.340 0.002 0.000 0.284 463 L C -1.067 175.881 176.870 0.130 0.000 1.023 463 L CA -0.824 54.069 54.840 0.089 0.000 0.810 463 L CB 1.959 44.069 42.059 0.085 0.000 1.231 463 L HN 0.392 nan 8.230 nan 0.000 0.423 464 V N 2.661 122.677 119.914 0.171 0.000 2.577 464 V HA 0.805 4.927 4.120 0.002 0.000 0.303 464 V C -0.289 175.943 176.094 0.230 0.000 1.042 464 V CA -0.483 61.939 62.300 0.204 0.000 0.872 464 V CB 1.658 33.620 31.823 0.230 0.000 0.998 464 V HN 0.861 nan 8.190 nan 0.000 0.423 465 A N 2.929 125.884 122.820 0.226 0.000 2.479 465 A HA 1.093 5.415 4.320 0.002 0.000 0.296 465 A C -0.102 177.632 177.584 0.251 0.000 1.121 465 A CA -0.307 51.847 52.037 0.195 0.000 0.743 465 A CB 2.271 21.352 19.000 0.136 0.000 1.323 465 A HN 1.930 nan 8.150 nan 0.000 0.415 466 G N -0.324 108.580 108.800 0.173 0.000 2.378 466 G HA2 0.575 4.536 3.960 0.002 0.000 0.302 466 G HA3 0.575 4.536 3.960 0.002 0.000 0.302 466 G C -0.460 174.482 174.900 0.071 0.000 1.669 466 G CA 0.167 45.370 45.100 0.171 0.000 0.920 466 G HN 1.594 nan 8.290 nan 0.000 0.697 467 T N -1.290 113.291 114.554 0.046 0.000 2.770 467 T HA 0.659 5.010 4.350 0.002 0.000 0.281 467 T C 1.187 175.877 174.700 -0.015 0.000 0.981 467 T CA 0.366 62.471 62.100 0.009 0.000 0.955 467 T CB 0.713 69.584 68.868 0.005 0.000 1.060 467 T HN 1.651 nan 8.240 nan 0.000 0.531 468 T N -1.423 113.116 114.554 -0.024 0.000 2.934 468 T HA 0.399 4.750 4.350 0.002 0.000 0.306 468 T C 1.545 176.215 174.700 -0.050 0.000 1.042 468 T CA -0.085 61.995 62.100 -0.034 0.000 1.145 468 T CB -0.265 68.588 68.868 -0.025 0.000 0.982 468 T HN 1.960 nan 8.240 nan 0.000 0.544 469 G N 2.031 110.797 108.800 -0.056 0.000 2.162 469 G HA2 -0.350 3.612 3.960 0.002 0.000 0.260 469 G HA3 -0.350 3.612 3.960 0.002 0.000 0.260 469 G C 1.028 175.847 174.900 -0.135 0.000 0.976 469 G CA 0.909 45.961 45.100 -0.080 0.000 0.655 469 G HN 1.523 nan 8.290 nan 0.000 0.533 470 S N -1.086 114.556 115.700 -0.098 0.000 2.425 470 S HA 0.407 4.879 4.470 0.002 0.000 0.225 470 S C 2.119 176.653 174.600 -0.110 0.000 1.024 470 S CA 1.517 59.682 58.200 -0.058 0.000 0.951 470 S CB 0.231 63.449 63.200 0.030 0.000 0.796 470 S HN 2.331 nan 8.310 nan 0.000 0.498 471 G N 1.131 109.770 108.800 -0.269 0.000 2.148 471 G HA2 -0.186 3.775 3.960 0.002 0.000 0.157 471 G HA3 -0.186 3.775 3.960 0.002 0.000 0.157 471 G C 0.544 174.858 174.900 -0.977 0.000 1.012 471 G CA 0.284 45.141 45.100 -0.405 0.000 0.677 471 G HN 0.446 nan 8.290 nan 0.000 0.506 472 K N 0.599 120.473 120.400 -0.878 0.000 1.991 472 K HA -0.052 4.269 4.320 0.002 0.000 0.212 472 K C 2.542 178.915 176.600 -0.379 0.000 1.049 472 K CA 1.940 57.773 56.287 -0.757 0.000 0.932 472 K CB -0.279 32.060 32.500 -0.268 0.000 0.717 472 K HN 0.297 nan 8.250 nan 0.000 0.441 473 S N 0.367 115.933 115.700 -0.224 0.000 2.399 473 S HA -0.095 4.377 4.470 0.002 0.000 0.231 473 S C 1.914 176.444 174.600 -0.116 0.000 1.022 473 S CA 1.038 59.168 58.200 -0.116 0.000 0.983 473 S CB -0.032 63.129 63.200 -0.065 0.000 0.803 473 S HN 0.118 nan 8.310 nan 0.000 0.480 474 V N 1.526 121.351 119.914 -0.148 0.000 2.358 474 V HA -0.102 4.019 4.120 0.002 0.000 0.246 474 V C 2.599 178.613 176.094 -0.134 0.000 1.047 474 V CA 1.877 64.100 62.300 -0.128 0.000 1.035 474 V CB -1.367 30.428 31.823 -0.047 0.000 0.658 474 V HN 0.573 nan 8.190 nan 0.000 0.452 475 G N -0.331 108.383 108.800 -0.143 0.000 2.418 475 G HA2 -0.210 3.751 3.960 0.002 0.000 0.217 475 G HA3 -0.210 3.751 3.960 0.002 0.000 0.217 475 G C 1.691 176.599 174.900 0.013 0.000 1.158 475 G CA 1.214 46.335 45.100 0.035 0.000 0.771 475 G HN 0.369 nan 8.290 nan 0.000 0.545 476 V N 1.518 121.416 119.914 -0.026 0.000 2.343 476 V HA -0.200 3.921 4.120 0.002 0.000 0.247 476 V C 2.651 178.710 176.094 -0.059 0.000 1.051 476 V CA 1.854 64.142 62.300 -0.020 0.000 1.036 476 V CB -0.411 31.400 31.823 -0.020 0.000 0.654 476 V HN 0.351 nan 8.190 nan 0.000 0.451 477 N N 0.499 119.159 118.700 -0.067 0.000 2.188 477 N HA -0.097 4.644 4.740 0.002 0.000 0.184 477 N C 1.919 177.328 175.510 -0.168 0.000 1.018 477 N CA 1.569 54.590 53.050 -0.050 0.000 0.858 477 N CB -0.382 38.079 38.487 -0.043 0.000 0.989 477 N HN 0.491 nan 8.380 nan 0.000 0.426 478 A N 1.224 123.877 122.820 -0.278 0.000 1.933 478 A HA -0.088 4.234 4.320 0.002 0.000 0.218 478 A C 2.278 179.799 177.584 -0.105 0.000 1.175 478 A CA 1.189 52.940 52.037 -0.478 0.000 0.628 478 A CB -0.416 18.376 19.000 -0.347 0.000 0.814 478 A HN 0.205 nan 8.150 nan 0.000 0.444 479 M N -0.794 118.786 119.600 -0.034 0.000 2.156 479 M HA -0.009 4.473 4.480 0.002 0.000 0.264 479 M C 2.016 178.321 176.300 0.009 0.000 1.067 479 M CA 1.139 56.451 55.300 0.021 0.000 1.131 479 M CB -0.413 32.188 32.600 0.002 0.000 1.368 479 M HN 0.332 nan 8.290 nan 0.000 0.416 480 L N -0.365 120.820 121.223 -0.064 0.000 2.093 480 L HA -0.177 4.164 4.340 0.002 0.000 0.208 480 L C 2.231 179.090 176.870 -0.019 0.000 1.085 480 L CA 0.689 55.449 54.840 -0.133 0.000 0.755 480 L CB -0.504 41.330 42.059 -0.375 0.000 0.904 480 L HN 0.253 nan 8.230 nan 0.000 0.435 481 L N -0.885 120.387 121.223 0.082 0.000 2.291 481 L HA -0.085 4.256 4.340 0.002 0.000 0.214 481 L C 2.595 179.752 176.870 0.478 0.000 1.120 481 L CA 1.227 56.220 54.840 0.256 0.000 0.799 481 L CB -0.529 41.714 42.059 0.307 0.000 0.925 481 L HN 0.083 nan 8.230 nan 0.000 0.446 482 S N -0.510 115.446 115.700 0.427 0.000 2.368 482 S HA -0.101 4.370 4.470 0.002 0.000 0.225 482 S C 1.965 176.800 174.600 0.392 0.000 1.030 482 S CA 1.299 59.744 58.200 0.408 0.000 0.999 482 S CB -0.214 63.158 63.200 0.288 0.000 0.844 482 S HN 0.363 nan 8.310 nan 0.000 0.459 483 I N 1.223 121.921 120.570 0.213 0.000 2.286 483 I HA -0.111 4.060 4.170 0.002 0.000 0.245 483 I C 1.827 178.009 176.117 0.108 0.000 1.104 483 I CA 1.001 62.377 61.300 0.126 0.000 1.397 483 I CB -0.363 37.646 38.000 0.014 0.000 1.072 483 I HN 0.212 nan 8.210 nan 0.000 0.417 484 L N -0.495 120.746 121.223 0.031 0.000 2.362 484 L HA -0.136 4.205 4.340 0.002 0.000 0.219 484 L C 1.987 179.013 176.870 0.260 0.000 1.134 484 L CA 1.237 56.052 54.840 -0.041 0.000 0.807 484 L CB -0.364 41.608 42.059 -0.145 0.000 0.927 484 L HN 0.197 nan 8.230 nan 0.000 0.447 485 F N -0.660 119.496 119.950 0.343 0.000 2.776 485 F HA 0.003 4.530 4.527 -0.001 0.000 0.300 485 F C 2.344 178.330 175.800 0.310 0.000 1.116 485 F CA 0.374 58.573 58.000 0.333 0.000 1.375 485 F CB 0.360 39.527 39.000 0.279 0.000 1.109 485 F HN -0.084 nan 8.300 nan 0.000 0.585 486 K N -1.034 119.626 120.400 0.434 0.000 2.436 486 K HA 0.213 4.534 4.320 0.002 0.000 0.198 486 K C 0.038 176.773 176.600 0.224 0.000 1.174 486 K CA 0.282 56.720 56.287 0.252 0.000 0.951 486 K CB 0.601 33.155 32.500 0.089 0.000 1.040 486 K HN -0.092 nan 8.250 nan 0.000 0.536 487 S N 0.154 116.007 115.700 0.254 0.000 2.482 487 S HA 0.264 4.735 4.470 0.002 0.000 0.303 487 S C -0.620 174.183 174.600 0.339 0.000 1.091 487 S CA -0.667 57.672 58.200 0.232 0.000 1.057 487 S CB 1.991 65.283 63.200 0.154 0.000 1.031 487 S HN 0.137 nan 8.310 nan 0.000 0.485 488 T N 2.273 116.973 114.554 0.242 0.000 2.847 488 T HA 0.330 4.681 4.350 0.002 0.000 0.279 488 T C -1.833 172.735 174.700 -0.219 0.000 0.984 488 T CA -2.051 60.134 62.100 0.142 0.000 0.988 488 T CB 0.545 69.527 68.868 0.190 0.000 1.040 488 T HN 0.191 nan 8.240 nan 0.000 0.528 489 P HA -0.062 nan 4.420 nan 0.000 0.221 489 P C 1.271 178.428 177.300 -0.239 0.000 1.145 489 P CA 0.875 63.578 63.100 -0.661 0.000 0.795 489 P CB 0.049 31.371 31.700 -0.631 0.000 0.775 490 S N -1.793 113.836 115.700 -0.120 0.000 2.527 490 S HA 0.033 4.505 4.470 0.002 0.000 0.222 490 S C 1.581 176.180 174.600 -0.002 0.000 0.985 490 S CA 0.500 58.677 58.200 -0.038 0.000 0.921 490 S CB -0.570 62.627 63.200 -0.005 0.000 0.772 490 S HN 0.211 nan 8.310 nan 0.000 0.529 491 E N 0.840 121.040 120.200 0.001 0.000 2.340 491 E HA 0.484 4.835 4.350 0.002 0.000 0.198 491 E C 0.337 176.965 176.600 0.047 0.000 0.961 491 E CA 0.418 56.842 56.400 0.040 0.000 0.905 491 E CB 0.817 30.556 29.700 0.065 0.000 0.884 491 E HN 0.572 nan 8.360 nan 0.000 0.491 492 A N 0.983 123.824 122.820 0.035 0.000 2.517 492 A HA 0.661 4.982 4.320 0.002 0.000 0.297 492 A C -1.160 176.457 177.584 0.055 0.000 1.050 492 A CA -0.841 51.237 52.037 0.068 0.000 0.694 492 A CB 1.476 20.538 19.000 0.104 0.000 1.277 492 A HN -0.100 nan 8.150 nan 0.000 0.400 493 R N 0.702 121.231 120.500 0.048 0.000 2.750 493 R HA 0.803 5.145 4.340 0.002 0.000 0.281 493 R C -1.402 174.916 176.300 0.030 0.000 0.972 493 R CA -0.621 55.497 56.100 0.030 0.000 0.912 493 R CB 1.553 31.866 30.300 0.023 0.000 1.187 493 R HN 0.709 nan 8.270 nan 0.000 0.464 494 L N 1.968 123.191 121.223 -0.001 0.000 2.350 494 L HA 0.670 5.011 4.340 0.002 0.000 0.260 494 L C -0.258 176.565 176.870 -0.078 0.000 1.015 494 L CA -0.847 53.970 54.840 -0.037 0.000 0.821 494 L CB 2.200 44.212 42.059 -0.078 0.000 1.370 494 L HN 0.388 nan 8.230 nan 0.000 0.416 495 I N 2.088 122.608 120.570 -0.084 0.000 2.439 495 I HA 0.417 4.588 4.170 0.002 0.000 0.285 495 I C -0.763 175.294 176.117 -0.100 0.000 1.021 495 I CA -0.227 61.000 61.300 -0.121 0.000 1.091 495 I CB 1.836 39.766 38.000 -0.116 0.000 1.242 495 I HN 0.490 nan 8.210 nan 0.000 0.439 496 M N 7.204 126.736 119.600 -0.113 0.000 2.268 496 M HA 0.565 5.046 4.480 0.002 0.000 0.344 496 M C -0.804 175.455 176.300 -0.069 0.000 1.106 496 M CA -0.444 54.801 55.300 -0.092 0.000 1.010 496 M CB 2.135 34.676 32.600 -0.098 0.000 1.649 496 M HN 0.360 nan 8.290 nan 0.000 0.443 497 I N 2.316 122.861 120.570 -0.041 0.000 2.382 497 I HA 0.309 4.480 4.170 0.002 0.000 0.286 497 I C -0.832 175.285 176.117 -0.001 0.000 1.002 497 I CA -0.369 60.918 61.300 -0.022 0.000 1.135 497 I CB 1.644 39.640 38.000 -0.006 0.000 1.288 497 I HN 0.586 nan 8.210 nan 0.000 0.448 498 D N 9.197 129.596 120.400 -0.002 0.000 2.364 498 D HA 0.245 4.886 4.640 0.002 0.000 0.251 498 D C -1.688 174.615 176.300 0.005 0.000 1.282 498 D CA -1.994 52.011 54.000 0.009 0.000 0.927 498 D CB 1.764 42.573 40.800 0.014 0.000 1.267 498 D HN 0.107 nan 8.370 nan 0.000 0.531 499 P HA -0.240 nan 4.420 nan 0.000 0.217 499 P C 0.098 177.398 177.300 -0.001 0.000 1.158 499 P CA 1.294 64.395 63.100 0.002 0.000 0.887 499 P CB 0.423 32.126 31.700 0.004 0.000 0.792 500 K N -1.436 118.964 120.400 0.000 0.000 2.117 500 K HA 0.192 4.514 4.320 0.002 0.000 0.240 500 K C 1.511 178.112 176.600 0.002 0.000 1.031 500 K CA -0.674 55.613 56.287 -0.001 0.000 0.909 500 K CB 0.310 32.809 32.500 -0.002 0.000 1.097 500 K HN -0.103 nan 8.250 nan 0.000 0.492 501 M N 1.384 120.985 119.600 0.001 0.000 2.171 501 M HA -0.048 4.434 4.480 0.002 0.000 0.260 501 M C 1.424 177.729 176.300 0.008 0.000 1.087 501 M CA 1.466 56.768 55.300 0.004 0.000 1.154 501 M CB -0.658 31.943 32.600 0.001 0.000 1.331 501 M HN 0.655 nan 8.290 nan 0.000 0.431 502 L N 0.915 122.141 121.223 0.004 0.000 2.451 502 L HA -0.386 3.955 4.340 0.002 0.000 0.249 502 L C 2.215 179.093 176.870 0.012 0.000 1.106 502 L CA 2.039 56.881 54.840 0.003 0.000 0.821 502 L CB -1.939 40.119 42.059 -0.001 0.000 0.966 502 L HN 0.323 nan 8.230 nan 0.000 0.414 503 E N 0.068 120.276 120.200 0.015 0.000 2.257 503 E HA -0.284 4.067 4.350 0.002 0.000 0.229 503 E C 1.949 178.593 176.600 0.075 0.000 1.089 503 E CA 2.302 58.720 56.400 0.029 0.000 0.947 503 E CB -0.520 29.192 29.700 0.021 0.000 0.808 503 E HN 0.596 nan 8.360 nan 0.000 0.471 504 L N 0.836 122.115 121.223 0.093 0.000 2.693 504 L HA 0.075 4.417 4.340 0.002 0.000 0.235 504 L C 2.353 179.331 176.870 0.180 0.000 1.127 504 L CA 0.434 55.391 54.840 0.194 0.000 0.914 504 L CB -0.057 42.077 42.059 0.126 0.000 1.193 504 L HN 0.066 nan 8.230 nan 0.000 0.502 505 S N 0.621 116.369 115.700 0.080 0.000 2.402 505 S HA -0.270 4.202 4.470 0.002 0.000 0.233 505 S C 1.855 176.478 174.600 0.038 0.000 1.030 505 S CA 1.213 59.444 58.200 0.052 0.000 1.003 505 S CB -0.564 62.649 63.200 0.023 0.000 0.813 505 S HN 0.518 nan 8.310 nan 0.000 0.477 506 I N -0.086 120.474 120.570 -0.017 0.000 2.493 506 I HA -0.122 4.049 4.170 0.002 0.000 0.254 506 I C 1.481 177.496 176.117 -0.170 0.000 1.160 506 I CA 1.170 62.405 61.300 -0.108 0.000 1.445 506 I CB -0.112 37.770 38.000 -0.196 0.000 1.086 506 I HN 0.257 nan 8.210 nan 0.000 0.433 507 Y N 1.040 121.348 120.300 0.014 0.000 2.616 507 Y HA -0.047 4.506 4.550 0.005 0.000 0.296 507 Y C 1.036 176.954 175.900 0.031 0.000 1.154 507 Y CA 0.028 58.132 58.100 0.006 0.000 1.325 507 Y CB -0.510 37.935 38.460 -0.025 0.000 1.007 507 Y HN 0.148 nan 8.280 nan 0.000 0.542 508 E N 0.511 120.796 120.200 0.142 0.000 2.652 508 E HA 0.135 4.486 4.350 0.002 0.000 0.255 508 E C 1.212 177.902 176.600 0.150 0.000 0.952 508 E CA 1.271 57.758 56.400 0.144 0.000 0.947 508 E CB -0.169 29.595 29.700 0.107 0.000 0.912 508 E HN 0.509 nan 8.360 nan 0.000 0.489 509 G N 3.618 112.547 108.800 0.215 0.000 2.279 509 G HA2 -0.287 3.675 3.960 0.002 0.000 0.223 509 G HA3 -0.287 3.675 3.960 0.002 0.000 0.223 509 G C 0.571 175.537 174.900 0.110 0.000 1.015 509 G CA -0.109 45.069 45.100 0.130 0.000 0.621 509 G HN 0.863 nan 8.290 nan 0.000 0.506 510 I N 0.018 120.673 120.570 0.142 0.000 2.872 510 I HA 0.317 4.488 4.170 0.002 0.000 0.291 510 I C -0.146 176.032 176.117 0.103 0.000 1.216 510 I CA -0.909 60.473 61.300 0.137 0.000 1.424 510 I CB 0.638 38.707 38.000 0.115 0.000 1.351 510 I HN 0.022 nan 8.210 nan 0.000 0.592 511 P HA -0.158 nan 4.420 nan 0.000 0.222 511 P C 1.019 178.244 177.300 -0.126 0.000 1.147 511 P CA 1.658 64.729 63.100 -0.049 0.000 0.790 511 P CB -0.139 31.510 31.700 -0.085 0.000 0.780 512 H N -0.355 118.581 119.070 -0.225 0.000 2.456 512 H HA 0.063 4.621 4.556 0.003 0.000 0.296 512 H C 1.132 176.399 175.328 -0.101 0.000 1.079 512 H CA 0.205 56.127 56.048 -0.209 0.000 1.322 512 H CB -1.014 28.563 29.762 -0.307 0.000 1.388 512 H HN 0.121 nan 8.280 nan 0.000 0.538 513 L N 1.108 122.379 121.223 0.080 0.000 2.490 513 L HA -0.063 4.279 4.340 0.002 0.000 0.274 513 L C 0.988 177.885 176.870 0.045 0.000 1.201 513 L CA 0.121 54.994 54.840 0.055 0.000 0.869 513 L CB 0.731 42.864 42.059 0.123 0.000 1.123 513 L HN 0.300 nan 8.230 nan 0.000 0.484 514 L N 3.300 124.472 121.223 -0.086 0.000 2.477 514 L HA 0.083 4.424 4.340 0.002 0.000 0.220 514 L C 0.375 177.096 176.870 -0.250 0.000 1.106 514 L CA 0.094 54.838 54.840 -0.159 0.000 0.851 514 L CB 0.183 42.062 42.059 -0.300 0.000 0.994 514 L HN 0.801 nan 8.230 nan 0.000 0.462 515 C N -5.539 113.524 119.300 -0.395 0.000 3.306 515 C HA 0.548 5.010 4.460 0.002 0.000 0.335 515 C C -2.783 171.637 174.990 -0.951 0.000 1.382 515 C CA -1.929 56.697 59.018 -0.655 0.000 1.254 515 C CB 0.965 28.436 27.740 -0.447 0.000 1.555 515 C HN -0.205 nan 8.230 nan 0.000 0.463 516 P HA 0.219 nan 4.420 nan 0.000 0.271 516 P C -0.395 176.704 177.300 -0.334 0.000 1.244 516 P CA -0.183 62.488 63.100 -0.715 0.000 0.793 516 P CB 0.286 31.748 31.700 -0.396 0.000 0.984 517 V N 1.543 121.357 119.914 -0.167 0.000 2.493 517 V HA -0.040 4.081 4.120 0.002 0.000 0.292 517 V C 0.435 176.473 176.094 -0.094 0.000 1.016 517 V CA 0.195 62.438 62.300 -0.094 0.000 1.097 517 V CB 0.010 31.822 31.823 -0.019 0.000 0.947 517 V HN 0.185 nan 8.190 nan 0.000 0.479 518 V N 5.612 125.469 119.914 -0.095 0.000 2.470 518 V HA 0.112 4.234 4.120 0.002 0.000 0.276 518 V C 1.107 177.175 176.094 -0.043 0.000 1.040 518 V CA 0.406 62.660 62.300 -0.077 0.000 1.008 518 V CB 0.805 32.580 31.823 -0.079 0.000 0.990 518 V HN 1.065 nan 8.190 nan 0.000 0.477 519 T N 2.221 116.754 114.554 -0.036 0.000 3.026 519 T HA 0.056 4.407 4.350 0.002 0.000 0.245 519 T C 0.549 175.239 174.700 -0.015 0.000 1.004 519 T CA 0.088 62.176 62.100 -0.020 0.000 1.069 519 T CB 0.077 68.935 68.868 -0.016 0.000 1.005 519 T HN 0.811 nan 8.240 nan 0.000 0.472 520 D N 0.585 120.973 120.400 -0.020 0.000 2.351 520 D HA 0.193 4.834 4.640 0.002 0.000 0.251 520 D C 1.148 177.441 176.300 -0.010 0.000 1.137 520 D CA -0.071 53.921 54.000 -0.014 0.000 0.879 520 D CB 0.898 41.688 40.800 -0.016 0.000 1.181 520 D HN -0.157 nan 8.370 nan 0.000 0.448 521 M N 3.189 122.788 119.600 -0.003 0.000 2.159 521 M HA -0.085 4.397 4.480 0.002 0.000 0.263 521 M C 1.687 177.989 176.300 0.004 0.000 1.063 521 M CA 1.339 56.642 55.300 0.005 0.000 1.110 521 M CB -0.019 32.586 32.600 0.008 0.000 1.374 521 M HN 0.345 nan 8.290 nan 0.000 0.411 522 K N 0.030 120.431 120.400 0.001 0.000 2.097 522 K HA -0.126 4.195 4.320 0.002 0.000 0.206 522 K C 1.901 178.500 176.600 -0.002 0.000 1.049 522 K CA 1.425 57.713 56.287 0.002 0.000 0.933 522 K CB -0.488 32.013 32.500 0.001 0.000 0.717 522 K HN 0.543 nan 8.250 nan 0.000 0.442 523 E N 0.534 120.727 120.200 -0.012 0.000 2.150 523 E HA -0.103 4.248 4.350 0.002 0.000 0.193 523 E C 2.005 178.590 176.600 -0.024 0.000 0.985 523 E CA 0.822 57.208 56.400 -0.023 0.000 0.814 523 E CB -0.076 29.600 29.700 -0.040 0.000 0.752 523 E HN 0.266 nan 8.360 nan 0.000 0.466 524 A N 1.740 124.550 122.820 -0.016 0.000 1.902 524 A HA -0.147 4.175 4.320 0.002 0.000 0.217 524 A C 2.432 180.019 177.584 0.004 0.000 1.181 524 A CA 1.720 53.751 52.037 -0.010 0.000 0.623 524 A CB -0.657 18.346 19.000 0.005 0.000 0.818 524 A HN 0.294 nan 8.150 nan 0.000 0.443 525 A N 0.296 123.122 122.820 0.011 0.000 1.902 525 A HA -0.216 4.105 4.320 0.002 0.000 0.217 525 A C 1.919 179.519 177.584 0.026 0.000 1.181 525 A CA 1.861 53.909 52.037 0.019 0.000 0.623 525 A CB -0.654 18.356 19.000 0.018 0.000 0.818 525 A HN 0.556 nan 8.150 nan 0.000 0.443 526 N N 0.495 119.208 118.700 0.022 0.000 2.166 526 N HA -0.098 4.644 4.740 0.002 0.000 0.186 526 N C 1.855 177.406 175.510 0.068 0.000 1.019 526 N CA 1.509 54.583 53.050 0.040 0.000 0.856 526 N CB -0.624 37.876 38.487 0.021 0.000 0.993 526 N HN 0.475 nan 8.380 nan 0.000 0.426 527 A N 1.139 123.975 122.820 0.027 0.000 1.940 527 A HA -0.068 4.254 4.320 0.002 0.000 0.219 527 A C 2.335 179.992 177.584 0.121 0.000 1.176 527 A CA 0.961 53.013 52.037 0.025 0.000 0.631 527 A CB -0.641 18.331 19.000 -0.048 0.000 0.814 527 A HN 0.224 nan 8.150 nan 0.000 0.446 528 L N -1.606 119.664 121.223 0.078 0.000 2.109 528 L HA -0.088 4.254 4.340 0.002 0.000 0.207 528 L C 2.830 179.748 176.870 0.081 0.000 1.086 528 L CA 0.968 55.850 54.840 0.069 0.000 0.760 528 L CB -0.420 41.653 42.059 0.022 0.000 0.910 528 L HN 0.333 nan 8.230 nan 0.000 0.437 529 R N -0.785 119.766 120.500 0.086 0.000 2.075 529 R HA -0.217 4.124 4.340 0.002 0.000 0.232 529 R C 2.132 178.492 176.300 0.100 0.000 1.126 529 R CA 1.933 58.074 56.100 0.068 0.000 0.963 529 R CB -0.434 29.902 30.300 0.061 0.000 0.858 529 R HN 0.404 nan 8.270 nan 0.000 0.435 530 W N 1.317 122.594 121.300 -0.037 0.000 2.338 530 W HA -0.191 4.471 4.660 0.003 0.000 0.304 530 W C 2.093 178.581 176.519 -0.051 0.000 1.212 530 W CA 1.743 59.064 57.345 -0.040 0.000 1.264 530 W CB -0.199 29.238 29.460 -0.038 0.000 1.142 530 W HN -0.080 nan 8.180 nan 0.000 0.512 531 S N 0.369 116.247 115.700 0.296 0.000 2.359 531 S HA -0.244 4.227 4.470 0.002 0.000 0.224 531 S C 1.795 176.295 174.600 -0.166 0.000 1.035 531 S CA 1.824 60.067 58.200 0.072 0.000 1.018 531 S CB -0.926 62.369 63.200 0.159 0.000 0.876 531 S HN 0.185 nan 8.310 nan 0.000 0.448 532 V N 2.076 121.931 119.914 -0.099 0.000 2.287 532 V HA -0.238 3.884 4.120 0.002 0.000 0.248 532 V C 2.677 178.658 176.094 -0.187 0.000 1.053 532 V CA 1.778 64.008 62.300 -0.117 0.000 1.027 532 V CB -1.325 30.461 31.823 -0.062 0.000 0.646 532 V HN 0.551 nan 8.190 nan 0.000 0.447 533 A N 0.135 122.822 122.820 -0.221 0.000 1.883 533 A HA -0.302 4.019 4.320 0.002 0.000 0.217 533 A C 2.208 179.556 177.584 -0.393 0.000 1.186 533 A CA 2.277 54.154 52.037 -0.267 0.000 0.624 533 A CB -0.616 18.226 19.000 -0.262 0.000 0.822 533 A HN 0.585 nan 8.150 nan 0.000 0.444 534 E N -0.306 119.505 120.200 -0.648 0.000 2.153 534 E HA -0.201 4.151 4.350 0.002 0.000 0.194 534 E C 1.930 178.240 176.600 -0.483 0.000 0.988 534 E CA 1.625 57.602 56.400 -0.706 0.000 0.811 534 E CB -0.376 28.621 29.700 -1.172 0.000 0.746 534 E HN 0.636 nan 8.360 nan 0.000 0.466 535 M N 0.004 119.353 119.600 -0.418 0.000 2.099 535 M HA -0.157 4.324 4.480 0.002 0.000 0.262 535 M C 1.624 177.659 176.300 -0.441 0.000 1.067 535 M CA 1.876 56.913 55.300 -0.439 0.000 1.124 535 M CB -0.065 32.345 32.600 -0.316 0.000 1.353 535 M HN 0.075 nan 8.290 nan 0.000 0.410 536 E N -0.177 119.889 120.200 -0.222 0.000 2.150 536 E HA -0.198 4.153 4.350 0.002 0.000 0.193 536 E C 2.147 178.690 176.600 -0.095 0.000 0.985 536 E CA 0.677 57.041 56.400 -0.060 0.000 0.814 536 E CB -0.350 29.330 29.700 -0.033 0.000 0.752 536 E HN 0.465 nan 8.360 nan 0.000 0.466 537 R N 1.751 122.139 120.500 -0.187 0.000 2.096 537 R HA -0.099 4.242 4.340 0.002 0.000 0.235 537 R C 1.904 178.092 176.300 -0.187 0.000 1.127 537 R CA 1.250 57.248 56.100 -0.170 0.000 0.968 537 R CB -0.061 30.109 30.300 -0.217 0.000 0.861 537 R HN 0.119 nan 8.270 nan 0.000 0.440 538 R N -1.094 119.228 120.500 -0.295 0.000 2.148 538 R HA -0.078 4.264 4.340 0.002 0.000 0.223 538 R C 2.170 178.342 176.300 -0.214 0.000 1.088 538 R CA 1.249 57.139 56.100 -0.350 0.000 0.985 538 R CB -0.208 29.809 30.300 -0.471 0.000 0.880 538 R HN 0.390 nan 8.270 nan 0.000 0.451 539 Y N 0.404 120.628 120.300 -0.126 0.000 2.220 539 Y HA -0.128 4.424 4.550 0.002 0.000 0.291 539 Y C 2.514 178.380 175.900 -0.057 0.000 1.129 539 Y CA 0.675 58.726 58.100 -0.081 0.000 1.161 539 Y CB 0.107 38.525 38.460 -0.070 0.000 0.997 539 Y HN -0.012 nan 8.280 nan 0.000 0.522 540 R N 0.035 120.593 120.500 0.098 0.000 2.081 540 R HA -0.162 4.179 4.340 0.002 0.000 0.235 540 R C 2.205 178.535 176.300 0.050 0.000 1.131 540 R CA 1.172 57.304 56.100 0.053 0.000 0.960 540 R CB -0.443 29.868 30.300 0.019 0.000 0.856 540 R HN 0.353 nan 8.270 nan 0.000 0.436 541 L N 0.365 121.597 121.223 0.015 0.000 2.017 541 L HA -0.196 4.145 4.340 0.002 0.000 0.208 541 L C 2.518 179.464 176.870 0.127 0.000 1.073 541 L CA 1.461 56.325 54.840 0.040 0.000 0.745 541 L CB -0.213 41.782 42.059 -0.107 0.000 0.894 541 L HN 0.285 nan 8.230 nan 0.000 0.432 542 M N -1.242 118.417 119.600 0.099 0.000 2.213 542 M HA -0.173 4.308 4.480 0.002 0.000 0.263 542 M C 2.404 178.791 176.300 0.145 0.000 1.062 542 M CA 1.609 57.018 55.300 0.182 0.000 1.105 542 M CB -0.548 32.157 32.600 0.174 0.000 1.385 542 M HN 0.315 nan 8.290 nan 0.000 0.417 543 A N 0.801 123.685 122.820 0.107 0.000 1.841 543 A HA -0.008 4.314 4.320 0.002 0.000 0.214 543 A C 2.417 180.042 177.584 0.069 0.000 1.195 543 A CA 1.861 53.939 52.037 0.068 0.000 0.611 543 A CB -1.038 17.988 19.000 0.045 0.000 0.835 543 A HN 0.469 nan 8.150 nan 0.000 0.443 544 A N -1.331 121.535 122.820 0.076 0.000 2.024 544 A HA -0.123 4.198 4.320 0.002 0.000 0.220 544 A C 1.996 179.628 177.584 0.081 0.000 1.164 544 A CA 1.957 54.037 52.037 0.071 0.000 0.643 544 A CB -0.422 18.624 19.000 0.077 0.000 0.806 544 A HN 0.437 nan 8.150 nan 0.000 0.451 545 M N -1.783 117.885 119.600 0.114 0.000 2.502 545 M HA 0.157 4.638 4.480 0.002 0.000 0.243 545 M C 1.369 177.712 176.300 0.071 0.000 1.130 545 M CA 0.838 56.199 55.300 0.101 0.000 1.055 545 M CB -0.810 31.893 32.600 0.171 0.000 1.457 545 M HN 0.763 nan 8.290 nan 0.000 0.488 546 G N 1.704 110.546 108.800 0.071 0.000 2.225 546 G HA2 -0.170 3.791 3.960 0.002 0.000 0.264 546 G HA3 -0.170 3.791 3.960 0.002 0.000 0.264 546 G C -0.166 174.769 174.900 0.057 0.000 1.060 546 G CA 0.095 45.225 45.100 0.050 0.000 0.833 546 G HN 0.345 nan 8.290 nan 0.000 0.498 547 V N -0.805 119.162 119.914 0.090 0.000 2.815 547 V HA 0.554 4.675 4.120 0.002 0.000 0.314 547 V C 1.354 177.508 176.094 0.099 0.000 1.064 547 V CA -0.754 61.606 62.300 0.100 0.000 0.952 547 V CB 1.827 33.743 31.823 0.154 0.000 1.020 547 V HN 0.334 nan 8.190 nan 0.000 0.439 548 R N 1.505 122.056 120.500 0.086 0.000 2.237 548 R HA 0.215 4.556 4.340 0.002 0.000 0.195 548 R C -0.101 176.264 176.300 0.107 0.000 0.956 548 R CA 0.459 56.604 56.100 0.075 0.000 1.029 548 R CB 0.175 30.505 30.300 0.049 0.000 0.972 548 R HN 0.923 nan 8.270 nan 0.000 0.493 549 N N -2.184 116.591 118.700 0.125 0.000 3.106 549 N HA -0.017 4.724 4.740 0.002 0.000 0.253 549 N C 0.105 175.700 175.510 0.143 0.000 1.506 549 N CA -0.780 52.349 53.050 0.132 0.000 0.876 549 N CB 0.219 38.770 38.487 0.108 0.000 1.452 549 N HN -0.275 nan 8.380 nan 0.000 0.542 550 L N -0.199 121.089 121.223 0.108 0.000 2.043 550 L HA -0.098 4.243 4.340 0.002 0.000 0.212 550 L C 1.906 178.876 176.870 0.166 0.000 1.075 550 L CA 2.853 57.761 54.840 0.114 0.000 0.752 550 L CB -1.560 40.532 42.059 0.055 0.000 0.891 550 L HN 0.865 nan 8.230 nan 0.000 0.432 551 A N -0.351 122.543 122.820 0.124 0.000 1.902 551 A HA -0.124 4.197 4.320 0.002 0.000 0.217 551 A C 2.378 180.023 177.584 0.102 0.000 1.181 551 A CA 1.653 53.752 52.037 0.103 0.000 0.623 551 A CB -1.255 17.791 19.000 0.077 0.000 0.818 551 A HN 0.514 nan 8.150 nan 0.000 0.443 552 G N -1.305 107.561 108.800 0.109 0.000 2.421 552 G HA2 -0.205 3.756 3.960 0.002 0.000 0.216 552 G HA3 -0.205 3.756 3.960 0.002 0.000 0.216 552 G C 1.470 176.428 174.900 0.097 0.000 1.171 552 G CA 1.097 46.250 45.100 0.088 0.000 0.775 552 G HN 0.491 nan 8.290 nan 0.000 0.543 553 F N 1.929 121.894 119.950 0.025 0.000 2.069 553 F HA -0.141 4.388 4.527 0.002 0.000 0.298 553 F C 2.406 178.215 175.800 0.016 0.000 1.113 553 F CA 2.198 60.210 58.000 0.021 0.000 1.214 553 F CB -0.471 38.540 39.000 0.019 0.000 0.978 553 F HN 0.180 nan 8.300 nan 0.000 0.474 554 N N -0.485 118.314 118.700 0.166 0.000 2.289 554 N HA -0.151 4.590 4.740 0.002 0.000 0.184 554 N C 1.830 177.315 175.510 -0.042 0.000 1.016 554 N CA 0.674 53.763 53.050 0.064 0.000 0.872 554 N CB -0.076 38.498 38.487 0.146 0.000 0.973 554 N HN 0.333 nan 8.380 nan 0.000 0.433 555 R N 0.889 121.370 120.500 -0.032 0.000 2.057 555 R HA -0.041 4.301 4.340 0.002 0.000 0.229 555 R C 2.094 178.341 176.300 -0.088 0.000 1.136 555 R CA 1.019 57.096 56.100 -0.039 0.000 0.952 555 R CB -0.086 30.205 30.300 -0.015 0.000 0.848 555 R HN -0.021 nan 8.270 nan 0.000 0.430 556 K N 0.634 120.954 120.400 -0.134 0.000 2.001 556 K HA -0.155 4.167 4.320 0.002 0.000 0.214 556 K C 1.930 178.409 176.600 -0.202 0.000 1.050 556 K CA 1.461 57.648 56.287 -0.166 0.000 0.934 556 K CB -0.771 31.601 32.500 -0.213 0.000 0.718 556 K HN 0.046 nan 8.250 nan 0.000 0.443 557 V N 0.711 120.433 119.914 -0.321 0.000 2.469 557 V HA -0.263 3.858 4.120 0.002 0.000 0.251 557 V C 2.155 178.168 176.094 -0.134 0.000 1.064 557 V CA 2.178 64.320 62.300 -0.263 0.000 1.066 557 V CB -0.289 31.331 31.823 -0.339 0.000 0.667 557 V HN 0.400 nan 8.190 nan 0.000 0.461 558 K N -0.772 119.566 120.400 -0.104 0.000 2.103 558 K HA -0.142 4.179 4.320 0.002 0.000 0.204 558 K C 1.882 178.454 176.600 -0.048 0.000 1.052 558 K CA 1.618 57.872 56.287 -0.055 0.000 0.945 558 K CB -0.185 32.295 32.500 -0.033 0.000 0.722 558 K HN 0.542 nan 8.250 nan 0.000 0.443 559 D N 0.550 120.916 120.400 -0.055 0.000 2.097 559 D HA -0.133 4.508 4.640 0.002 0.000 0.197 559 D C 1.814 178.088 176.300 -0.043 0.000 0.984 559 D CA 1.325 55.300 54.000 -0.043 0.000 0.826 559 D CB -0.187 40.588 40.800 -0.042 0.000 0.973 559 D HN 0.305 nan 8.370 nan 0.000 0.460 560 A N 1.326 124.112 122.820 -0.057 0.000 1.908 560 A HA -0.245 4.076 4.320 0.002 0.000 0.218 560 A C 2.077 179.637 177.584 -0.039 0.000 1.181 560 A CA 1.660 53.666 52.037 -0.050 0.000 0.627 560 A CB -0.533 18.428 19.000 -0.065 0.000 0.818 560 A HN 0.248 nan 8.150 nan 0.000 0.445 561 E N -0.357 119.819 120.200 -0.041 0.000 2.028 561 E HA -0.188 4.164 4.350 0.002 0.000 0.191 561 E C 1.931 178.518 176.600 -0.022 0.000 0.988 561 E CA 1.266 57.649 56.400 -0.029 0.000 0.799 561 E CB -0.271 29.413 29.700 -0.027 0.000 0.755 561 E HN 0.730 nan 8.360 nan 0.000 0.447 562 E N 0.394 120.581 120.200 -0.021 0.000 2.331 562 E HA -0.142 4.209 4.350 0.002 0.000 0.199 562 E C 1.465 178.056 176.600 -0.015 0.000 1.008 562 E CA 0.707 57.098 56.400 -0.016 0.000 0.843 562 E CB -0.017 29.674 29.700 -0.015 0.000 0.761 562 E HN 0.170 nan 8.360 nan 0.000 0.507 563 A N 0.236 123.044 122.820 -0.019 0.000 2.307 563 A HA 0.346 4.668 4.320 0.002 0.000 0.218 563 A C 1.582 179.157 177.584 -0.015 0.000 1.228 563 A CA 0.512 52.539 52.037 -0.017 0.000 0.857 563 A CB -0.175 18.814 19.000 -0.019 0.000 0.897 563 A HN 0.271 nan 8.150 nan 0.000 0.495 564 G N -1.036 107.755 108.800 -0.015 0.000 2.168 564 G HA2 -0.228 3.733 3.960 0.002 0.000 0.257 564 G HA3 -0.228 3.733 3.960 0.002 0.000 0.257 564 G C 0.256 175.147 174.900 -0.016 0.000 0.997 564 G CA 0.724 45.816 45.100 -0.014 0.000 0.708 564 G HN 0.820 nan 8.290 nan 0.000 0.520 565 T N 2.339 116.882 114.554 -0.019 0.000 3.305 565 T HA 0.457 4.809 4.350 0.002 0.000 0.348 565 T C -2.396 172.288 174.700 -0.027 0.000 1.394 565 T CA -0.674 61.413 62.100 -0.021 0.000 1.549 565 T CB 2.562 71.418 68.868 -0.019 0.000 0.962 565 T HN 0.253 nan 8.240 nan 0.000 0.609 566 P HA 0.176 nan 4.420 nan 0.000 0.268 566 P C -0.069 177.210 177.300 -0.035 0.000 1.204 566 P CA -0.363 62.717 63.100 -0.033 0.000 0.768 566 P CB 1.019 32.703 31.700 -0.028 0.000 0.842 567 L N 2.125 123.320 121.223 -0.047 0.000 2.452 567 L HA 0.257 4.598 4.340 0.002 0.000 0.267 567 L C 1.336 178.192 176.870 -0.024 0.000 1.188 567 L CA 0.262 55.076 54.840 -0.042 0.000 0.821 567 L CB 0.071 42.084 42.059 -0.075 0.000 1.102 567 L HN 0.358 nan 8.230 nan 0.000 0.470 568 T N 0.296 114.846 114.554 -0.007 0.000 2.855 568 T HA 0.087 4.438 4.350 0.002 0.000 0.281 568 T C -0.441 174.282 174.700 0.038 0.000 1.007 568 T CA -0.518 61.582 62.100 0.000 0.000 1.009 568 T CB 1.126 69.993 68.868 -0.002 0.000 0.983 568 T HN 0.503 nan 8.240 nan 0.000 0.455 569 D N 4.518 124.947 120.400 0.048 0.000 2.455 569 D HA -0.005 4.636 4.640 0.002 0.000 0.265 569 D C -1.080 175.302 176.300 0.138 0.000 1.284 569 D CA -1.302 52.763 54.000 0.108 0.000 0.944 569 D CB 1.123 41.991 40.800 0.114 0.000 1.121 569 D HN 0.253 nan 8.370 nan 0.000 0.525 570 P HA -0.069 nan 4.420 nan 0.000 0.239 570 P C 1.235 178.599 177.300 0.106 0.000 1.184 570 P CA 0.464 63.628 63.100 0.106 0.000 0.760 570 P CB 0.342 32.096 31.700 0.091 0.000 0.884 571 L N -2.354 118.943 121.223 0.124 0.000 2.590 571 L HA 0.239 4.580 4.340 0.002 0.000 0.227 571 L C 1.168 178.104 176.870 0.109 0.000 1.099 571 L CA -0.382 54.513 54.840 0.092 0.000 0.872 571 L CB -0.313 41.789 42.059 0.072 0.000 1.088 571 L HN -0.123 nan 8.230 nan 0.000 0.479 572 F N 2.563 122.524 119.950 0.019 0.000 2.541 572 F HA 0.125 4.653 4.527 0.002 0.000 0.378 572 F C 0.875 176.682 175.800 0.012 0.000 1.068 572 F CA -0.156 57.852 58.000 0.015 0.000 1.199 572 F CB 0.281 39.292 39.000 0.018 0.000 1.091 572 F HN -0.108 nan 8.300 nan 0.000 0.555 573 R N 7.305 127.405 120.500 -0.666 0.000 2.265 573 R HA 0.353 4.695 4.340 0.002 0.000 0.328 573 R C -0.401 175.429 176.300 -0.784 0.000 0.969 573 R CA -0.750 55.042 56.100 -0.512 0.000 0.832 573 R CB 0.602 30.735 30.300 -0.278 0.000 1.139 573 R HN 0.752 nan 8.270 nan 0.000 0.457 574 R N 2.930 123.144 120.500 -0.477 0.000 2.489 574 R HA -0.005 4.337 4.340 0.002 0.000 0.287 574 R C 0.236 176.436 176.300 -0.166 0.000 1.053 574 R CA 0.411 56.359 56.100 -0.254 0.000 1.036 574 R CB 0.799 31.113 30.300 0.023 0.000 0.966 574 R HN 0.745 nan 8.270 nan 0.000 0.432 575 E N 0.105 120.232 120.200 -0.121 0.000 2.508 575 E HA 0.044 4.396 4.350 0.002 0.000 0.217 575 E C -0.203 176.385 176.600 -0.021 0.000 0.896 575 E CA 0.039 56.396 56.400 -0.073 0.000 1.118 575 E CB 1.214 30.863 29.700 -0.084 0.000 1.133 575 E HN 0.349 nan 8.360 nan 0.000 0.526 576 S N 0.378 116.084 115.700 0.009 0.000 2.536 576 S HA 0.297 4.768 4.470 0.002 0.000 0.287 576 S C -2.311 172.317 174.600 0.047 0.000 1.101 576 S CA -1.834 56.383 58.200 0.029 0.000 0.950 576 S CB 1.365 64.588 63.200 0.038 0.000 1.056 576 S HN -0.265 nan 8.310 nan 0.000 0.481 577 P HA -0.118 nan 4.420 nan 0.000 0.217 577 P C 0.834 178.163 177.300 0.048 0.000 1.148 577 P CA 1.041 64.163 63.100 0.038 0.000 0.828 577 P CB 0.114 31.830 31.700 0.026 0.000 0.783 578 D N -0.808 119.622 120.400 0.050 0.000 2.144 578 D HA -0.103 4.538 4.640 0.002 0.000 0.199 578 D C 0.108 176.454 176.300 0.076 0.000 0.984 578 D CA 0.763 54.794 54.000 0.052 0.000 0.834 578 D CB -0.754 40.074 40.800 0.047 0.000 0.955 578 D HN 0.068 nan 8.370 nan 0.000 0.465 579 D N 1.112 121.586 120.400 0.123 0.000 2.472 579 D HA 0.086 4.727 4.640 0.002 0.000 0.237 579 D C -0.034 176.372 176.300 0.176 0.000 1.141 579 D CA 0.723 54.857 54.000 0.222 0.000 0.875 579 D CB 0.553 41.577 40.800 0.374 0.000 1.192 579 D HN 0.255 nan 8.370 nan 0.000 0.450 580 E N 1.449 121.680 120.200 0.053 0.000 2.263 580 E HA 0.299 4.650 4.350 0.002 0.000 0.268 580 E C -2.479 173.846 176.600 -0.458 0.000 0.884 580 E CA -1.926 54.423 56.400 -0.084 0.000 0.766 580 E CB 2.124 31.773 29.700 -0.084 0.000 1.196 580 E HN 0.056 nan 8.360 nan 0.000 0.416 581 P HA 0.024 nan 4.420 nan 0.000 0.263 581 P C -2.375 174.639 177.300 -0.477 0.000 1.195 581 P CA -0.671 62.075 63.100 -0.589 0.000 0.762 581 P CB -0.114 31.537 31.700 -0.082 0.000 0.799 582 P HA 0.058 nan 4.420 nan 0.000 0.275 582 P C -0.548 176.671 177.300 -0.134 0.000 1.227 582 P CA -0.286 62.646 63.100 -0.280 0.000 0.781 582 P CB 0.770 32.325 31.700 -0.241 0.000 0.906 583 Q N 2.530 122.279 119.800 -0.086 0.000 2.313 583 Q HA 0.192 4.533 4.340 0.002 0.000 0.266 583 Q C -0.354 175.640 176.000 -0.010 0.000 0.989 583 Q CA -0.367 55.410 55.803 -0.043 0.000 0.890 583 Q CB 0.244 28.960 28.738 -0.037 0.000 1.200 583 Q HN 0.428 nan 8.270 nan 0.000 0.396 584 L N 2.716 123.946 121.223 0.011 0.000 2.464 584 L HA 0.231 4.572 4.340 0.002 0.000 0.264 584 L C 0.201 177.099 176.870 0.048 0.000 1.199 584 L CA -0.001 54.875 54.840 0.060 0.000 0.818 584 L CB 0.972 43.070 42.059 0.064 0.000 1.102 584 L HN 0.843 nan 8.230 nan 0.000 0.473 585 S N -1.320 114.443 115.700 0.104 0.000 2.618 585 S HA 0.492 4.963 4.470 0.002 0.000 0.277 585 S C -0.535 174.165 174.600 0.166 0.000 1.138 585 S CA -0.913 57.338 58.200 0.085 0.000 0.844 585 S CB 1.563 64.801 63.200 0.064 0.000 1.127 585 S HN 0.633 nan 8.310 nan 0.000 0.474 586 T N 0.914 115.542 114.554 0.123 0.000 2.940 586 T HA 0.383 4.735 4.350 0.002 0.000 0.309 586 T C 0.182 174.994 174.700 0.187 0.000 1.056 586 T CA -0.502 61.705 62.100 0.179 0.000 1.137 586 T CB -0.389 68.540 68.868 0.102 0.000 0.976 586 T HN 0.567 nan 8.240 nan 0.000 0.547 587 L N 4.442 125.800 121.223 0.225 0.000 2.334 587 L HA 0.460 4.801 4.340 0.002 0.000 0.277 587 L C -1.756 175.154 176.870 0.066 0.000 1.075 587 L CA -2.426 52.466 54.840 0.088 0.000 0.804 587 L CB 1.280 43.308 42.059 -0.052 0.000 1.174 587 L HN 0.534 nan 8.230 nan 0.000 0.438 588 P HA 0.155 nan 4.420 nan 0.000 0.281 588 P C -0.692 176.637 177.300 0.049 0.000 1.249 588 P CA -0.436 62.691 63.100 0.045 0.000 0.810 588 P CB 1.060 32.780 31.700 0.032 0.000 1.008 589 T N 2.648 117.244 114.554 0.070 0.000 2.884 589 T HA 0.342 4.693 4.350 0.002 0.000 0.298 589 T C 0.523 175.283 174.700 0.100 0.000 0.998 589 T CA 0.137 62.297 62.100 0.101 0.000 1.124 589 T CB -0.126 68.819 68.868 0.127 0.000 0.931 589 T HN 0.219 nan 8.240 nan 0.000 0.531 590 I N 3.007 123.641 120.570 0.107 0.000 2.404 590 I HA 0.446 4.617 4.170 0.002 0.000 0.293 590 I C -0.554 175.641 176.117 0.129 0.000 0.992 590 I CA -0.964 60.400 61.300 0.106 0.000 1.149 590 I CB 1.827 39.897 38.000 0.115 0.000 1.315 590 I HN 0.252 nan 8.210 nan 0.000 0.446 591 V N 6.904 126.877 119.914 0.098 0.000 2.487 591 V HA 0.375 4.497 4.120 0.002 0.000 0.298 591 V C -0.191 175.931 176.094 0.047 0.000 1.028 591 V CA -0.731 61.625 62.300 0.093 0.000 0.860 591 V CB 2.079 33.937 31.823 0.059 0.000 0.991 591 V HN 0.377 nan 8.190 nan 0.000 0.427 592 V N 5.741 125.687 119.914 0.054 0.000 2.328 592 V HA 0.441 4.562 4.120 0.002 0.000 0.278 592 V C -0.080 176.015 176.094 0.001 0.000 1.021 592 V CA -0.566 61.744 62.300 0.017 0.000 0.838 592 V CB 1.709 33.547 31.823 0.024 0.000 0.999 592 V HN 0.746 nan 8.190 nan 0.000 0.447 593 V N 4.264 124.162 119.914 -0.027 0.000 2.384 593 V HA 0.738 4.859 4.120 0.002 0.000 0.287 593 V C -0.444 175.639 176.094 -0.018 0.000 1.020 593 V CA -0.518 61.765 62.300 -0.028 0.000 0.850 593 V CB 1.616 33.399 31.823 -0.067 0.000 0.987 593 V HN 0.445 nan 8.190 nan 0.000 0.436 594 V N 4.878 124.798 119.914 0.011 0.000 2.334 594 V HA 0.317 4.438 4.120 0.002 0.000 0.281 594 V C 1.042 177.186 176.094 0.083 0.000 1.016 594 V CA -0.046 62.284 62.300 0.051 0.000 0.832 594 V CB 0.979 32.854 31.823 0.086 0.000 0.999 594 V HN 1.039 nan 8.190 nan 0.000 0.439 595 D N 3.500 123.934 120.400 0.057 0.000 2.117 595 D HA -0.118 4.524 4.640 0.002 0.000 0.197 595 D C 0.710 177.058 176.300 0.080 0.000 0.987 595 D CA 1.412 55.444 54.000 0.053 0.000 0.829 595 D CB 0.511 41.328 40.800 0.029 0.000 0.961 595 D HN 0.655 nan 8.370 nan 0.000 0.460 596 E N -1.058 119.197 120.200 0.092 0.000 2.378 596 E HA 0.151 4.502 4.350 0.002 0.000 0.282 596 E C -0.664 175.997 176.600 0.102 0.000 0.910 596 E CA -0.521 55.920 56.400 0.068 0.000 0.816 596 E CB 0.035 29.738 29.700 0.005 0.000 1.359 596 E HN 0.111 nan 8.360 nan 0.000 0.397 597 F N 2.925 122.878 119.950 0.005 0.000 2.664 597 F HA 0.578 5.106 4.527 0.001 0.000 0.303 597 F C 1.214 177.016 175.800 0.004 0.000 1.092 597 F CA 0.143 58.145 58.000 0.003 0.000 1.305 597 F CB 0.264 39.267 39.000 0.005 0.000 1.054 597 F HN 0.401 nan 8.300 nan 0.000 0.565 598 A N 0.742 123.274 122.820 -0.479 0.000 1.969 598 A HA -0.114 4.208 4.320 0.002 0.000 0.218 598 A C 1.940 179.425 177.584 -0.165 0.000 1.169 598 A CA 1.786 53.578 52.037 -0.409 0.000 0.635 598 A CB -0.651 18.160 19.000 -0.316 0.000 0.810 598 A HN 0.425 nan 8.150 nan 0.000 0.445 599 D N -0.306 120.039 120.400 -0.090 0.000 2.097 599 D HA -0.124 4.517 4.640 0.002 0.000 0.197 599 D C 2.047 178.346 176.300 -0.002 0.000 0.984 599 D CA 1.243 55.221 54.000 -0.036 0.000 0.826 599 D CB -0.371 40.418 40.800 -0.018 0.000 0.973 599 D HN 0.432 nan 8.370 nan 0.000 0.460 600 M N 0.115 119.736 119.600 0.036 0.000 2.073 600 M HA -0.165 4.316 4.480 0.002 0.000 0.258 600 M C 2.115 178.452 176.300 0.062 0.000 1.070 600 M CA 1.256 56.596 55.300 0.066 0.000 1.103 600 M CB -0.189 32.487 32.600 0.126 0.000 1.321 600 M HN -0.015 nan 8.290 nan 0.000 0.405 601 M N -1.218 118.428 119.600 0.076 0.000 2.539 601 M HA -0.164 4.317 4.480 0.002 0.000 0.261 601 M C 1.752 178.063 176.300 0.018 0.000 1.069 601 M CA 1.432 56.770 55.300 0.063 0.000 1.081 601 M CB -0.850 31.785 32.600 0.058 0.000 1.412 601 M HN 0.323 nan 8.290 nan 0.000 0.482 602 M N -0.990 118.609 119.600 -0.000 0.000 2.718 602 M HA 0.107 4.588 4.480 0.002 0.000 0.259 602 M C 1.753 178.053 176.300 -0.000 0.000 1.240 602 M CA 0.828 56.123 55.300 -0.008 0.000 1.210 602 M CB -0.176 32.409 32.600 -0.024 0.000 1.281 602 M HN 0.002 nan 8.290 nan 0.000 0.515 603 I N -0.987 119.585 120.570 0.003 0.000 2.163 603 I HA -0.171 4.000 4.170 0.002 0.000 0.240 603 I C 2.155 178.277 176.117 0.009 0.000 1.081 603 I CA 1.220 62.523 61.300 0.005 0.000 1.353 603 I CB -0.719 37.284 38.000 0.005 0.000 1.054 603 I HN 0.016 nan 8.210 nan 0.000 0.407 604 V N -0.535 119.388 119.914 0.016 0.000 2.341 604 V HA 0.369 4.490 4.120 0.002 0.000 0.240 604 V C 1.454 177.559 176.094 0.018 0.000 1.035 604 V CA 1.295 63.606 62.300 0.018 0.000 1.033 604 V CB -0.966 30.871 31.823 0.023 0.000 0.678 604 V HN 0.647 nan 8.190 nan 0.000 0.464 605 G N 0.034 108.850 108.800 0.025 0.000 2.501 605 G HA2 -0.188 3.773 3.960 0.002 0.000 0.213 605 G HA3 -0.188 3.773 3.960 0.002 0.000 0.213 605 G C 0.591 175.509 174.900 0.029 0.000 1.158 605 G CA 0.133 45.248 45.100 0.025 0.000 1.079 605 G HN 0.080 nan 8.290 nan 0.000 0.586 606 K N 0.794 121.207 120.400 0.022 0.000 2.113 606 K HA -0.083 4.238 4.320 0.002 0.000 0.208 606 K C 2.413 179.024 176.600 0.018 0.000 1.047 606 K CA 1.902 58.202 56.287 0.020 0.000 0.928 606 K CB -0.479 32.029 32.500 0.014 0.000 0.716 606 K HN 0.584 nan 8.250 nan 0.000 0.446 607 K N 0.584 120.994 120.400 0.016 0.000 2.152 607 K HA -0.092 4.229 4.320 0.002 0.000 0.206 607 K C 2.143 178.752 176.600 0.015 0.000 1.048 607 K CA 1.063 57.358 56.287 0.013 0.000 0.933 607 K CB -0.129 32.378 32.500 0.013 0.000 0.721 607 K HN -0.092 nan 8.250 nan 0.000 0.447 608 V N 1.760 121.688 119.914 0.025 0.000 2.379 608 V HA -0.205 3.916 4.120 0.002 0.000 0.245 608 V C 2.024 178.131 176.094 0.023 0.000 1.044 608 V CA 1.624 63.942 62.300 0.030 0.000 1.036 608 V CB -0.365 31.491 31.823 0.055 0.000 0.664 608 V HN 0.323 nan 8.190 nan 0.000 0.453 609 E N 0.083 120.302 120.200 0.032 0.000 2.038 609 E HA -0.316 4.035 4.350 0.002 0.000 0.195 609 E C 2.227 178.826 176.600 -0.002 0.000 1.000 609 E CA 1.658 58.073 56.400 0.024 0.000 0.803 609 E CB -0.225 29.493 29.700 0.031 0.000 0.750 609 E HN 0.711 nan 8.360 nan 0.000 0.448 610 E N 1.028 121.229 120.200 0.001 0.000 2.065 610 E HA -0.248 4.103 4.350 0.002 0.000 0.201 610 E C 2.239 178.828 176.600 -0.018 0.000 1.016 610 E CA 1.270 57.666 56.400 -0.007 0.000 0.818 610 E CB -0.125 29.574 29.700 -0.002 0.000 0.749 610 E HN 0.192 nan 8.360 nan 0.000 0.453 611 L N 0.540 121.752 121.223 -0.017 0.000 2.046 611 L HA -0.204 4.138 4.340 0.002 0.000 0.208 611 L C 2.619 179.456 176.870 -0.054 0.000 1.077 611 L CA 0.553 55.377 54.840 -0.027 0.000 0.747 611 L CB -0.407 41.644 42.059 -0.013 0.000 0.896 611 L HN 0.295 nan 8.230 nan 0.000 0.432 612 I N 0.420 120.952 120.570 -0.065 0.000 2.179 612 I HA -0.273 3.898 4.170 0.002 0.000 0.242 612 I C 2.859 178.902 176.117 -0.122 0.000 1.088 612 I CA 1.733 62.964 61.300 -0.115 0.000 1.357 612 I CB -1.432 36.489 38.000 -0.132 0.000 1.051 612 I HN 0.198 nan 8.210 nan 0.000 0.409 613 A N 0.378 123.150 122.820 -0.079 0.000 1.978 613 A HA -0.237 4.084 4.320 0.002 0.000 0.220 613 A C 2.543 180.089 177.584 -0.064 0.000 1.170 613 A CA 1.711 53.709 52.037 -0.065 0.000 0.636 613 A CB -0.642 18.338 19.000 -0.034 0.000 0.810 613 A HN 0.356 nan 8.150 nan 0.000 0.448 614 R N -0.494 119.972 120.500 -0.057 0.000 2.073 614 R HA -0.028 4.313 4.340 0.002 0.000 0.229 614 R C 1.911 178.175 176.300 -0.060 0.000 1.120 614 R CA 1.296 57.370 56.100 -0.043 0.000 0.967 614 R CB -0.220 30.061 30.300 -0.031 0.000 0.862 614 R HN 0.471 nan 8.270 nan 0.000 0.436 615 I N 0.928 121.436 120.570 -0.102 0.000 2.179 615 I HA -0.211 3.960 4.170 0.002 0.000 0.242 615 I C 2.527 178.505 176.117 -0.233 0.000 1.088 615 I CA 1.484 62.698 61.300 -0.143 0.000 1.357 615 I CB -1.398 36.493 38.000 -0.180 0.000 1.051 615 I HN 0.237 nan 8.210 nan 0.000 0.409 616 A N 0.549 123.173 122.820 -0.326 0.000 1.908 616 A HA -0.246 4.075 4.320 0.002 0.000 0.218 616 A C 2.270 179.822 177.584 -0.055 0.000 1.181 616 A CA 1.607 53.407 52.037 -0.394 0.000 0.627 616 A CB -0.689 18.160 19.000 -0.251 0.000 0.818 616 A HN 0.541 nan 8.150 nan 0.000 0.445 617 Q N -0.503 119.280 119.800 -0.027 0.000 2.119 617 Q HA -0.133 4.209 4.340 0.002 0.000 0.201 617 Q C 0.937 176.977 176.000 0.066 0.000 0.972 617 Q CA 1.591 57.410 55.803 0.026 0.000 0.847 617 Q CB -0.099 28.643 28.738 0.006 0.000 0.903 617 Q HN 0.854 nan 8.270 nan 0.000 0.433 618 K N -2.110 118.339 120.400 0.082 0.000 2.644 618 K HA 0.452 4.774 4.320 0.002 0.000 0.198 618 K C 0.753 177.483 176.600 0.218 0.000 1.113 618 K CA 0.326 56.702 56.287 0.147 0.000 1.073 618 K CB 0.907 33.486 32.500 0.132 0.000 0.811 618 K HN -0.030 nan 8.250 nan 0.000 0.508 619 A N 1.743 124.646 122.820 0.139 0.000 2.123 619 A HA -0.005 4.316 4.320 0.002 0.000 0.214 619 A C 2.213 179.776 177.584 -0.035 0.000 1.152 619 A CA 0.466 52.519 52.037 0.027 0.000 0.728 619 A CB -0.364 18.634 19.000 -0.004 0.000 0.814 619 A HN 0.372 nan 8.150 nan 0.000 0.464 620 R N 0.270 120.801 120.500 0.052 0.000 2.115 620 R HA -0.219 4.123 4.340 0.002 0.000 0.239 620 R C 2.209 178.516 176.300 0.011 0.000 1.133 620 R CA 1.965 58.045 56.100 -0.034 0.000 0.935 620 R CB -0.501 29.828 30.300 0.049 0.000 0.853 620 R HN 0.394 nan 8.270 nan 0.000 0.433 621 A N 0.510 123.402 122.820 0.121 0.000 1.940 621 A HA -0.106 4.215 4.320 0.002 0.000 0.219 621 A C 2.274 179.895 177.584 0.062 0.000 1.176 621 A CA 1.776 53.910 52.037 0.162 0.000 0.631 621 A CB -0.738 18.447 19.000 0.308 0.000 0.814 621 A HN 0.601 nan 8.150 nan 0.000 0.446 622 A N -1.579 121.166 122.820 -0.124 0.000 2.239 622 A HA 0.382 4.703 4.320 0.002 0.000 0.209 622 A C 1.777 179.217 177.584 -0.239 0.000 1.171 622 A CA 1.224 53.039 52.037 -0.370 0.000 0.768 622 A CB -1.138 17.421 19.000 -0.736 0.000 0.790 622 A HN 1.979 nan 8.150 nan 0.000 0.478 623 G N -0.847 107.846 108.800 -0.178 0.000 2.198 623 G HA2 -0.224 3.737 3.960 0.002 0.000 0.257 623 G HA3 -0.224 3.737 3.960 0.002 0.000 0.257 623 G C -0.074 174.667 174.900 -0.266 0.000 1.042 623 G CA 0.430 45.457 45.100 -0.121 0.000 0.791 623 G HN 0.514 nan 8.290 nan 0.000 0.502 624 I N 0.710 120.991 120.570 -0.482 0.000 2.382 624 I HA 0.435 4.606 4.170 0.002 0.000 0.286 624 I C -0.058 175.801 176.117 -0.430 0.000 1.002 624 I CA -0.946 60.173 61.300 -0.301 0.000 1.135 624 I CB 1.320 39.216 38.000 -0.172 0.000 1.288 624 I HN 0.164 nan 8.210 nan 0.000 0.448 625 H N 5.582 124.716 119.070 0.107 0.000 2.538 625 H HA 0.542 5.099 4.556 0.002 0.000 0.353 625 H C -1.035 174.413 175.328 0.199 0.000 1.109 625 H CA -0.783 55.363 56.048 0.163 0.000 1.192 625 H CB 1.924 31.689 29.762 0.005 0.000 1.555 625 H HN 0.297 nan 8.280 nan 0.000 0.518 626 L N 3.293 124.812 121.223 0.493 0.000 2.309 626 L HA 0.419 4.760 4.340 0.002 0.000 0.282 626 L C -0.627 176.331 176.870 0.147 0.000 1.036 626 L CA -0.080 54.876 54.840 0.194 0.000 0.806 626 L CB 0.886 42.942 42.059 -0.005 0.000 1.220 626 L HN 0.630 nan 8.230 nan 0.000 0.429 627 I N 5.443 126.047 120.570 0.057 0.000 2.448 627 I HA 0.324 4.495 4.170 0.002 0.000 0.281 627 I C -1.054 175.064 176.117 0.001 0.000 1.027 627 I CA -0.370 60.955 61.300 0.042 0.000 1.111 627 I CB 1.209 39.232 38.000 0.038 0.000 1.236 627 I HN 0.310 nan 8.210 nan 0.000 0.452 628 L N 6.232 127.435 121.223 -0.034 0.000 2.298 628 L HA 0.758 5.100 4.340 0.002 0.000 0.284 628 L C 0.101 177.050 176.870 0.133 0.000 1.013 628 L CA -0.455 54.331 54.840 -0.091 0.000 0.824 628 L CB 1.662 43.394 42.059 -0.545 0.000 1.221 628 L HN 0.589 nan 8.230 nan 0.000 0.418 629 A N 2.240 125.212 122.820 0.253 0.000 2.337 629 A HA 0.842 5.164 4.320 0.002 0.000 0.329 629 A C -0.421 177.345 177.584 0.302 0.000 1.146 629 A CA -0.495 51.697 52.037 0.259 0.000 0.800 629 A CB 1.927 21.020 19.000 0.155 0.000 1.220 629 A HN 0.543 nan 8.150 nan 0.000 0.472 630 T N -0.050 114.621 114.554 0.196 0.000 2.956 630 T HA 0.336 4.688 4.350 0.002 0.000 0.312 630 T C 0.144 174.854 174.700 0.016 0.000 1.151 630 T CA -0.271 61.843 62.100 0.024 0.000 1.024 630 T CB 1.679 70.436 68.868 -0.185 0.000 1.140 630 T HN 0.731 nan 8.240 nan 0.000 0.473 631 Q N 2.422 122.207 119.800 -0.026 0.000 2.356 631 Q HA 0.238 4.579 4.340 0.002 0.000 0.205 631 Q C 0.251 176.233 176.000 -0.031 0.000 0.901 631 Q CA 0.175 55.969 55.803 -0.015 0.000 0.938 631 Q CB 0.338 29.062 28.738 -0.023 0.000 1.081 631 Q HN 0.495 nan 8.270 nan 0.000 0.517 632 R N 1.549 122.007 120.500 -0.069 0.000 2.860 632 R HA 0.284 4.626 4.340 0.002 0.000 0.282 632 R C -2.495 173.757 176.300 -0.081 0.000 1.408 632 R CA -1.726 54.330 56.100 -0.074 0.000 1.636 632 R CB 1.092 31.334 30.300 -0.096 0.000 1.187 632 R HN 0.059 nan 8.270 nan 0.000 0.611 633 P HA -0.059 nan 4.420 nan 0.000 0.238 633 P C -0.437 176.856 177.300 -0.011 0.000 1.679 633 P CA 0.388 63.482 63.100 -0.010 0.000 1.080 633 P CB 0.027 31.742 31.700 0.024 0.000 1.961 634 S N -1.071 114.610 115.700 -0.032 0.000 2.638 634 S HA 0.261 4.733 4.470 0.002 0.000 0.298 634 S C 1.155 175.752 174.600 -0.005 0.000 1.111 634 S CA -0.788 57.400 58.200 -0.020 0.000 1.027 634 S CB 1.252 64.433 63.200 -0.032 0.000 1.064 634 S HN -0.044 nan 8.310 nan 0.000 0.525 635 V N 1.275 121.191 119.914 0.004 0.000 2.828 635 V HA -0.129 3.992 4.120 0.002 0.000 0.260 635 V C 1.558 177.661 176.094 0.016 0.000 1.101 635 V CA 1.911 64.220 62.300 0.015 0.000 1.123 635 V CB -0.977 30.854 31.823 0.013 0.000 0.704 635 V HN 0.819 nan 8.190 nan 0.000 0.493 636 D N -0.444 119.956 120.400 0.001 0.000 2.234 636 D HA -0.044 4.597 4.640 0.002 0.000 0.205 636 D C 1.954 178.253 176.300 -0.002 0.000 0.962 636 D CA 0.883 54.883 54.000 -0.001 0.000 0.855 636 D CB 0.280 41.071 40.800 -0.015 0.000 0.951 636 D HN 0.389 nan 8.370 nan 0.000 0.500 637 V N 0.456 120.355 119.914 -0.025 0.000 2.627 637 V HA 0.047 4.169 4.120 0.002 0.000 0.239 637 V C 0.993 177.150 176.094 0.105 0.000 1.077 637 V CA 0.343 62.604 62.300 -0.064 0.000 1.103 637 V CB 0.610 32.266 31.823 -0.277 0.000 0.802 637 V HN 0.057 nan 8.190 nan 0.000 0.482 638 I N 3.475 124.106 120.570 0.101 0.000 2.224 638 I HA 0.206 4.377 4.170 0.002 0.000 0.293 638 I C 0.707 176.889 176.117 0.109 0.000 1.155 638 I CA 0.338 61.746 61.300 0.180 0.000 1.297 638 I CB -0.423 37.665 38.000 0.146 0.000 1.487 638 I HN 0.370 nan 8.210 nan 0.000 0.564 639 T N 0.434 115.054 114.554 0.110 0.000 2.882 639 T HA 0.381 4.732 4.350 0.002 0.000 0.287 639 T C 1.510 176.242 174.700 0.053 0.000 1.014 639 T CA -0.220 61.920 62.100 0.068 0.000 1.049 639 T CB 1.944 70.850 68.868 0.062 0.000 1.001 639 T HN 0.576 nan 8.240 nan 0.000 0.525 640 G N 0.152 108.974 108.800 0.037 0.000 2.448 640 G HA2 -0.097 3.865 3.960 0.002 0.000 0.219 640 G HA3 -0.097 3.865 3.960 0.002 0.000 0.219 640 G C 1.284 176.198 174.900 0.023 0.000 1.127 640 G CA 0.251 45.368 45.100 0.028 0.000 0.766 640 G HN 0.731 nan 8.290 nan 0.000 0.552 641 L N 0.224 121.461 121.223 0.023 0.000 2.093 641 L HA -0.003 4.338 4.340 0.002 0.000 0.208 641 L C 2.621 179.496 176.870 0.008 0.000 1.085 641 L CA 0.776 55.624 54.840 0.014 0.000 0.755 641 L CB -0.149 41.919 42.059 0.014 0.000 0.904 641 L HN 0.124 nan 8.230 nan 0.000 0.435 642 I N -0.014 120.567 120.570 0.018 0.000 2.233 642 I HA -0.254 3.917 4.170 0.002 0.000 0.243 642 I C 2.404 178.522 176.117 0.001 0.000 1.093 642 I CA 1.320 62.620 61.300 -0.001 0.000 1.380 642 I CB -0.908 37.107 38.000 0.026 0.000 1.067 642 I HN 0.249 nan 8.210 nan 0.000 0.413 643 K N 0.971 121.385 120.400 0.024 0.000 2.148 643 K HA -0.060 4.261 4.320 0.002 0.000 0.204 643 K C 2.189 178.801 176.600 0.020 0.000 1.050 643 K CA 1.232 57.535 56.287 0.027 0.000 0.942 643 K CB -0.121 32.400 32.500 0.035 0.000 0.724 643 K HN 0.251 nan 8.250 nan 0.000 0.446 644 A N 1.761 124.590 122.820 0.015 0.000 1.948 644 A HA -0.197 4.125 4.320 0.002 0.000 0.220 644 A C 1.335 178.930 177.584 0.017 0.000 1.177 644 A CA 1.846 53.891 52.037 0.014 0.000 0.636 644 A CB -0.357 18.649 19.000 0.010 0.000 0.815 644 A HN 0.328 nan 8.150 nan 0.000 0.449 645 N N -1.421 117.288 118.700 0.014 0.000 2.214 645 N HA 0.350 5.092 4.740 0.002 0.000 0.214 645 N C -0.626 174.918 175.510 0.057 0.000 1.132 645 N CA 0.080 53.147 53.050 0.028 0.000 0.856 645 N CB 0.779 39.272 38.487 0.010 0.000 1.020 645 N HN 0.376 nan 8.380 nan 0.000 0.509 646 I N 1.185 121.784 120.570 0.048 0.000 2.623 646 I HA 0.234 4.405 4.170 0.002 0.000 0.275 646 I C -1.775 174.377 176.117 0.058 0.000 1.108 646 I CA -1.528 59.817 61.300 0.075 0.000 1.120 646 I CB 2.162 40.192 38.000 0.051 0.000 1.249 646 I HN -0.123 nan 8.210 nan 0.000 0.500 647 P HA -0.025 nan 4.420 nan 0.000 0.221 647 P C 0.611 177.924 177.300 0.021 0.000 1.155 647 P CA 0.803 63.920 63.100 0.029 0.000 0.812 647 P CB 0.077 31.789 31.700 0.020 0.000 0.801 648 T N 3.404 117.985 114.554 0.044 0.000 2.799 648 T HA 0.211 4.562 4.350 0.002 0.000 0.296 648 T C 0.451 175.198 174.700 0.077 0.000 0.947 648 T CA 0.033 62.165 62.100 0.053 0.000 1.141 648 T CB 0.302 69.234 68.868 0.106 0.000 0.891 648 T HN 0.023 nan 8.240 nan 0.000 0.533 649 R N 2.863 123.399 120.500 0.060 0.000 2.795 649 R HA 0.631 4.972 4.340 0.002 0.000 0.275 649 R C -0.901 175.470 176.300 0.119 0.000 0.981 649 R CA -0.834 55.313 56.100 0.077 0.000 0.917 649 R CB 2.049 32.371 30.300 0.036 0.000 1.202 649 R HN 0.555 nan 8.270 nan 0.000 0.469 650 I N 1.124 121.751 120.570 0.094 0.000 2.500 650 I HA 0.411 4.582 4.170 0.002 0.000 0.286 650 I C -0.725 175.365 176.117 -0.045 0.000 1.063 650 I CA -0.738 60.575 61.300 0.022 0.000 1.062 650 I CB 2.190 40.176 38.000 -0.023 0.000 1.223 650 I HN 0.634 nan 8.210 nan 0.000 0.435 651 A N 6.806 129.560 122.820 -0.109 0.000 2.311 651 A HA 0.755 5.076 4.320 0.002 0.000 0.306 651 A C -0.849 176.648 177.584 -0.146 0.000 1.189 651 A CA -0.315 51.690 52.037 -0.054 0.000 0.791 651 A CB 0.436 19.438 19.000 0.002 0.000 1.172 651 A HN 0.524 nan 8.150 nan 0.000 0.481 652 F N 0.434 120.415 119.950 0.052 0.000 2.234 652 F HA 0.297 4.830 4.527 0.010 0.000 0.292 652 F C 1.389 177.208 175.800 0.032 0.000 1.187 652 F CA 0.181 58.208 58.000 0.045 0.000 1.128 652 F CB 0.479 39.504 39.000 0.041 0.000 1.507 652 F HN 0.610 nan 8.300 nan 0.000 0.512 653 Q N 1.366 121.307 119.800 0.234 0.000 2.300 653 Q HA 0.323 4.664 4.340 0.002 0.000 0.280 653 Q C -0.989 175.066 176.000 0.092 0.000 1.033 653 Q CA -0.328 55.544 55.803 0.117 0.000 0.903 653 Q CB 0.631 29.414 28.738 0.076 0.000 1.195 653 Q HN 0.535 nan 8.270 nan 0.000 0.386 654 V N 0.648 120.599 119.914 0.061 0.000 3.046 654 V HA 0.412 4.533 4.120 0.002 0.000 0.316 654 V C 0.469 176.578 176.094 0.026 0.000 1.104 654 V CA -0.584 61.743 62.300 0.045 0.000 1.006 654 V CB 1.836 33.685 31.823 0.044 0.000 1.058 654 V HN 0.809 nan 8.190 nan 0.000 0.440 655 S N 1.011 116.721 115.700 0.017 0.000 2.489 655 S HA 0.144 4.615 4.470 0.002 0.000 0.228 655 S C 0.726 175.330 174.600 0.007 0.000 0.995 655 S CA 0.847 59.052 58.200 0.009 0.000 0.934 655 S CB -0.413 62.789 63.200 0.004 0.000 0.771 655 S HN 1.366 nan 8.310 nan 0.000 0.522 656 S N -0.711 114.994 115.700 0.009 0.000 2.615 656 S HA 0.452 4.923 4.470 0.002 0.000 0.269 656 S C -0.045 174.559 174.600 0.007 0.000 1.161 656 S CA -0.988 57.216 58.200 0.006 0.000 0.817 656 S CB 1.176 64.379 63.200 0.004 0.000 1.131 656 S HN -0.038 nan 8.310 nan 0.000 0.467 657 K N 0.215 120.617 120.400 0.004 0.000 2.147 657 K HA 0.045 4.366 4.320 0.002 0.000 0.205 657 K C 1.629 178.232 176.600 0.005 0.000 1.049 657 K CA 1.572 57.861 56.287 0.003 0.000 0.936 657 K CB -0.561 31.939 32.500 -0.001 0.000 0.722 657 K HN 0.574 nan 8.250 nan 0.000 0.446 658 I N 1.411 121.984 120.570 0.005 0.000 2.179 658 I HA -0.273 3.898 4.170 0.002 0.000 0.242 658 I C 1.622 177.745 176.117 0.009 0.000 1.088 658 I CA 1.259 62.563 61.300 0.006 0.000 1.357 658 I CB -0.246 37.756 38.000 0.004 0.000 1.051 658 I HN 0.066 nan 8.210 nan 0.000 0.409 659 D N -0.003 120.404 120.400 0.010 0.000 2.218 659 D HA -0.163 4.478 4.640 0.002 0.000 0.204 659 D C 2.290 178.602 176.300 0.022 0.000 0.976 659 D CA 1.193 55.202 54.000 0.015 0.000 0.853 659 D CB -0.159 40.650 40.800 0.015 0.000 0.939 659 D HN 0.163 nan 8.370 nan 0.000 0.481 660 S N -0.167 115.544 115.700 0.018 0.000 2.387 660 S HA -0.075 4.396 4.470 0.002 0.000 0.226 660 S C 1.858 176.468 174.600 0.016 0.000 1.026 660 S CA 0.674 58.885 58.200 0.018 0.000 0.972 660 S CB 0.128 63.336 63.200 0.013 0.000 0.814 660 S HN 0.151 nan 8.310 nan 0.000 0.477 661 R N 0.076 120.584 120.500 0.013 0.000 2.090 661 R HA -0.010 4.331 4.340 0.002 0.000 0.228 661 R C 2.351 178.662 176.300 0.018 0.000 1.110 661 R CA 1.679 57.786 56.100 0.012 0.000 0.973 661 R CB -0.872 29.433 30.300 0.008 0.000 0.869 661 R HN 0.401 nan 8.270 nan 0.000 0.440 662 T N 2.020 116.587 114.554 0.022 0.000 2.788 662 T HA -0.114 4.237 4.350 0.002 0.000 0.268 662 T C 1.953 176.678 174.700 0.042 0.000 1.044 662 T CA 1.607 63.724 62.100 0.030 0.000 1.139 662 T CB -0.155 68.731 68.868 0.029 0.000 0.867 662 T HN 0.384 nan 8.240 nan 0.000 0.454 663 I N -1.411 119.185 120.570 0.043 0.000 2.494 663 I HA 0.191 4.362 4.170 0.002 0.000 0.250 663 I C 1.839 177.979 176.117 0.039 0.000 1.112 663 I CA 1.146 62.479 61.300 0.055 0.000 1.438 663 I CB -0.365 37.674 38.000 0.064 0.000 1.111 663 I HN 0.094 nan 8.210 nan 0.000 0.431 664 L N 0.663 121.901 121.223 0.024 0.000 2.616 664 L HA 0.221 4.563 4.340 0.002 0.000 0.229 664 L C 0.060 176.932 176.870 0.004 0.000 1.110 664 L CA 0.100 54.945 54.840 0.009 0.000 0.884 664 L CB -0.186 41.873 42.059 -0.001 0.000 1.115 664 L HN 0.218 nan 8.230 nan 0.000 0.481 665 D N 0.962 121.368 120.400 0.010 0.000 3.012 665 D HA -0.245 4.396 4.640 0.002 0.000 0.222 665 D C 0.359 176.659 176.300 0.000 0.000 1.167 665 D CA 1.085 55.089 54.000 0.006 0.000 0.854 665 D CB -0.548 40.255 40.800 0.004 0.000 1.107 665 D HN 0.544 nan 8.370 nan 0.000 0.421 666 Q N -0.795 119.005 119.800 -0.000 0.000 2.435 666 Q HA 0.538 4.880 4.340 0.002 0.000 0.282 666 Q C -0.548 175.450 176.000 -0.002 0.000 1.020 666 Q CA -0.524 55.277 55.803 -0.004 0.000 0.820 666 Q CB 1.703 30.434 28.738 -0.011 0.000 1.436 666 Q HN 0.060 nan 8.270 nan 0.000 0.395 667 G N -0.742 108.056 108.800 -0.003 0.000 2.502 667 G HA2 0.583 4.544 3.960 0.002 0.000 0.305 667 G HA3 0.583 4.544 3.960 0.002 0.000 0.305 667 G C 0.552 175.451 174.900 -0.003 0.000 1.190 667 G CA 0.152 45.251 45.100 -0.002 0.000 0.933 667 G HN 1.198 nan 8.290 nan 0.000 0.503 668 G N -1.326 107.474 108.800 -0.000 0.000 2.545 668 G HA2 0.082 4.043 3.960 0.002 0.000 0.195 668 G HA3 0.082 4.043 3.960 0.002 0.000 0.195 668 G C 1.372 176.276 174.900 0.007 0.000 1.009 668 G CA 0.851 45.951 45.100 0.001 0.000 0.703 668 G HN 1.616 nan 8.290 nan 0.000 0.479 669 A N 1.203 124.029 122.820 0.009 0.000 2.168 669 A HA 0.258 4.580 4.320 0.002 0.000 0.215 669 A C 1.947 179.546 177.584 0.026 0.000 1.152 669 A CA 2.060 54.107 52.037 0.018 0.000 0.716 669 A CB -0.349 18.664 19.000 0.021 0.000 0.794 669 A HN 0.747 nan 8.150 nan 0.000 0.465 670 E N 0.358 120.568 120.200 0.018 0.000 2.427 670 E HA -0.149 4.202 4.350 0.002 0.000 0.196 670 E C 1.007 177.617 176.600 0.016 0.000 1.028 670 E CA 0.823 57.234 56.400 0.017 0.000 0.864 670 E CB -0.367 29.339 29.700 0.010 0.000 0.813 670 E HN 0.783 nan 8.360 nan 0.000 0.514 671 Q N 0.665 120.476 119.800 0.018 0.000 2.319 671 Q HA 0.296 4.637 4.340 0.002 0.000 0.202 671 Q C 0.591 176.612 176.000 0.034 0.000 0.896 671 Q CA -0.228 55.587 55.803 0.020 0.000 0.942 671 Q CB 0.599 29.345 28.738 0.014 0.000 1.083 671 Q HN 0.224 nan 8.270 nan 0.000 0.510 672 L N 0.474 121.722 121.223 0.041 0.000 2.476 672 L HA 0.021 4.363 4.340 0.002 0.000 0.264 672 L C 1.298 178.206 176.870 0.063 0.000 1.224 672 L CA -0.063 54.814 54.840 0.062 0.000 0.821 672 L CB 0.449 42.550 42.059 0.071 0.000 1.101 672 L HN 0.172 nan 8.230 nan 0.000 0.488 673 L N 0.605 121.879 121.223 0.085 0.000 2.249 673 L HA 0.245 4.586 4.340 0.002 0.000 0.207 673 L C 1.022 177.911 176.870 0.031 0.000 1.090 673 L CA 0.710 55.593 54.840 0.072 0.000 0.802 673 L CB -0.392 41.730 42.059 0.104 0.000 0.947 673 L HN 0.926 nan 8.230 nan 0.000 0.453 674 G N -1.469 107.364 108.800 0.056 0.000 2.566 674 G HA2 -0.166 3.795 3.960 0.002 0.000 0.599 674 G HA3 -0.166 3.795 3.960 0.002 0.000 0.599 674 G C -0.521 174.406 174.900 0.045 0.000 1.292 674 G CA -0.532 44.549 45.100 -0.032 0.000 0.922 674 G HN 0.292 nan 8.290 nan 0.000 0.514 675 H N -0.884 118.231 119.070 0.076 0.000 2.692 675 H HA -0.145 4.410 4.556 -0.003 0.000 0.316 675 H C 2.027 177.431 175.328 0.126 0.000 1.176 675 H CA 2.881 58.966 56.048 0.062 0.000 1.142 675 H CB -1.510 28.265 29.762 0.023 0.000 1.475 675 H HN 2.746 nan 8.280 nan 0.000 0.423 676 G N -0.678 108.288 108.800 0.276 0.000 2.258 676 G HA2 -0.303 3.658 3.960 0.002 0.000 0.233 676 G HA3 -0.303 3.658 3.960 0.002 0.000 0.233 676 G C 0.126 175.310 174.900 0.472 0.000 1.006 676 G CA 0.275 45.612 45.100 0.396 0.000 0.620 676 G HN 0.619 nan 8.290 nan 0.000 0.511 677 D N 1.654 122.267 120.400 0.355 0.000 2.487 677 D HA 0.467 5.108 4.640 0.002 0.000 0.243 677 D C 0.896 177.301 176.300 0.176 0.000 1.154 677 D CA 1.071 55.237 54.000 0.276 0.000 0.876 677 D CB 0.069 41.008 40.800 0.230 0.000 1.161 677 D HN 0.798 nan 8.370 nan 0.000 0.478 678 M N 1.784 121.386 119.600 0.002 0.000 2.683 678 M HA 0.494 4.975 4.480 0.002 0.000 0.274 678 M C -1.873 174.346 176.300 -0.136 0.000 1.272 678 M CA -1.001 54.173 55.300 -0.210 0.000 0.833 678 M CB 1.693 33.908 32.600 -0.641 0.000 1.708 678 M HN 0.103 nan 8.290 nan 0.000 0.463 679 L N 2.622 123.764 121.223 -0.135 0.000 2.319 679 L HA 0.515 4.856 4.340 0.002 0.000 0.281 679 L C -1.708 175.153 176.870 -0.015 0.000 1.005 679 L CA -0.784 54.021 54.840 -0.058 0.000 0.828 679 L CB 1.638 43.672 42.059 -0.042 0.000 1.227 679 L HN 0.707 nan 8.230 nan 0.000 0.415 680 Y N 5.076 125.303 120.300 -0.122 0.000 2.331 680 Y HA 0.481 5.032 4.550 0.003 0.000 0.338 680 Y C -1.063 174.801 175.900 -0.060 0.000 0.992 680 Y CA -1.002 57.039 58.100 -0.098 0.000 1.121 680 Y CB 1.447 39.854 38.460 -0.089 0.000 1.184 680 Y HN 0.458 nan 8.280 nan 0.000 0.469 681 L N 10.545 131.546 121.223 -0.370 0.000 2.313 681 L HA 0.505 4.846 4.340 0.002 0.000 0.273 681 L C -2.530 173.988 176.870 -0.586 0.000 1.028 681 L CA -2.165 52.431 54.840 -0.407 0.000 0.871 681 L CB 1.098 43.058 42.059 -0.165 0.000 1.242 681 L HN 0.529 nan 8.230 nan 0.000 0.434 682 P HA 0.250 nan 4.420 nan 0.000 0.274 682 P C -2.725 174.446 177.300 -0.214 0.000 1.256 682 P CA -1.502 61.275 63.100 -0.538 0.000 0.795 682 P CB -0.132 31.293 31.700 -0.458 0.000 1.038 683 P HA -0.039 nan 4.420 nan 0.000 0.268 683 P C 0.706 177.976 177.300 -0.050 0.000 1.208 683 P CA 0.890 63.963 63.100 -0.045 0.000 0.777 683 P CB -0.254 31.442 31.700 -0.006 0.000 0.875 684 G N 1.261 110.040 108.800 -0.035 0.000 2.356 684 G HA2 -0.186 3.775 3.960 0.002 0.000 0.296 684 G HA3 -0.186 3.775 3.960 0.002 0.000 0.296 684 G C -0.170 174.703 174.900 -0.045 0.000 1.022 684 G CA 0.326 45.407 45.100 -0.031 0.000 0.961 684 G HN 0.729 nan 8.290 nan 0.000 0.510 685 T N -1.506 113.010 114.554 -0.064 0.000 2.916 685 T HA 0.608 4.959 4.350 0.002 0.000 0.298 685 T C 1.310 175.968 174.700 -0.070 0.000 1.031 685 T CA 0.226 62.280 62.100 -0.076 0.000 0.993 685 T CB 1.887 70.683 68.868 -0.120 0.000 1.045 685 T HN 0.661 nan 8.240 nan 0.000 0.454 686 G N 1.601 110.367 108.800 -0.056 0.000 2.545 686 G HA2 0.277 4.238 3.960 0.002 0.000 0.212 686 G HA3 0.277 4.238 3.960 0.002 0.000 0.212 686 G C 0.249 175.117 174.900 -0.053 0.000 1.144 686 G CA 0.068 45.140 45.100 -0.046 0.000 0.813 686 G HN 0.552 nan 8.290 nan 0.000 0.531 687 L N 2.415 123.602 121.223 -0.060 0.000 2.307 687 L HA 0.394 4.735 4.340 0.002 0.000 0.284 687 L C -2.089 174.730 176.870 -0.085 0.000 1.023 687 L CA -2.080 52.724 54.840 -0.060 0.000 0.810 687 L CB 2.191 44.222 42.059 -0.046 0.000 1.231 687 L HN -0.011 nan 8.230 nan 0.000 0.423 688 P HA 0.301 nan 4.420 nan 0.000 0.279 688 P C -0.970 176.286 177.300 -0.073 0.000 1.252 688 P CA -0.428 62.611 63.100 -0.102 0.000 0.811 688 P CB 1.508 33.163 31.700 -0.075 0.000 1.035 689 I N -1.721 118.811 120.570 -0.064 0.000 2.460 689 I HA 0.596 4.767 4.170 0.002 0.000 0.298 689 I C 0.181 176.289 176.117 -0.014 0.000 0.989 689 I CA -1.441 59.843 61.300 -0.027 0.000 1.173 689 I CB 2.029 40.031 38.000 0.003 0.000 1.338 689 I HN 0.180 nan 8.210 nan 0.000 0.456 690 R N 4.588 125.058 120.500 -0.050 0.000 2.389 690 R HA 0.631 4.972 4.340 0.002 0.000 0.295 690 R C -1.427 174.771 176.300 -0.170 0.000 1.075 690 R CA -0.304 55.738 56.100 -0.097 0.000 1.005 690 R CB 1.017 31.255 30.300 -0.103 0.000 0.987 690 R HN 0.706 nan 8.270 nan 0.000 0.452 691 V N 4.505 124.311 119.914 -0.181 0.000 2.656 691 V HA 0.249 4.370 4.120 0.002 0.000 0.307 691 V C -0.701 175.273 176.094 -0.200 0.000 1.051 691 V CA -0.949 61.237 62.300 -0.189 0.000 0.893 691 V CB 1.888 33.672 31.823 -0.064 0.000 0.999 691 V HN 0.794 nan 8.190 nan 0.000 0.426 692 H N 2.945 122.072 119.070 0.095 0.000 2.741 692 H HA 0.334 4.891 4.556 0.002 0.000 0.282 692 H C 0.806 176.204 175.328 0.117 0.000 1.122 692 H CA -0.127 55.985 56.048 0.107 0.000 1.293 692 H CB 1.064 30.889 29.762 0.105 0.000 1.415 692 H HN 0.873 nan 8.280 nan 0.000 0.472 693 G N 2.107 111.058 108.800 0.252 0.000 2.257 693 G HA2 0.162 4.123 3.960 0.002 0.000 0.235 693 G HA3 0.162 4.123 3.960 0.002 0.000 0.235 693 G C 0.290 175.317 174.900 0.212 0.000 1.225 693 G CA -0.069 45.182 45.100 0.252 0.000 0.878 693 G HN 0.752 nan 8.290 nan 0.000 0.505 694 A N 2.270 125.195 122.820 0.174 0.000 2.401 694 A HA 0.531 4.852 4.320 0.002 0.000 0.259 694 A C -0.300 177.382 177.584 0.163 0.000 1.103 694 A CA -0.519 51.619 52.037 0.168 0.000 0.789 694 A CB 0.408 19.557 19.000 0.247 0.000 1.035 694 A HN 0.821 nan 8.150 nan 0.000 0.491 695 F N 3.481 123.455 119.950 0.040 0.000 2.420 695 F HA 0.493 5.010 4.527 -0.017 0.000 0.352 695 F C -0.134 175.654 175.800 -0.020 0.000 1.108 695 F CA -0.367 57.634 58.000 0.002 0.000 1.162 695 F CB 1.150 40.152 39.000 0.003 0.000 1.118 695 F HN 0.350 nan 8.300 nan 0.000 0.510 696 V N 7.191 126.469 119.914 -1.059 0.000 2.525 696 V HA 0.461 4.582 4.120 0.002 0.000 0.299 696 V C -0.739 174.692 176.094 -1.105 0.000 1.034 696 V CA -0.318 61.426 62.300 -0.927 0.000 0.863 696 V CB 1.730 33.124 31.823 -0.715 0.000 0.999 696 V HN 0.988 nan 8.190 nan 0.000 0.423 697 S N 3.471 118.625 115.700 -0.909 0.000 2.592 697 S HA 0.264 4.736 4.470 0.002 0.000 0.271 697 S C 0.695 175.172 174.600 -0.205 0.000 1.326 697 S CA -0.302 57.642 58.200 -0.428 0.000 1.024 697 S CB 1.273 64.431 63.200 -0.071 0.000 0.921 697 S HN 0.749 nan 8.310 nan 0.000 0.527 698 D N 1.149 121.486 120.400 -0.105 0.000 2.228 698 D HA -0.123 4.518 4.640 0.002 0.000 0.203 698 D C 1.309 177.581 176.300 -0.046 0.000 0.988 698 D CA 1.609 55.562 54.000 -0.078 0.000 0.864 698 D CB -0.390 40.381 40.800 -0.048 0.000 0.928 698 D HN 0.876 nan 8.370 nan 0.000 0.469 699 D N 0.136 120.524 120.400 -0.020 0.000 2.149 699 D HA -0.099 4.542 4.640 0.002 0.000 0.201 699 D C 1.726 178.055 176.300 0.049 0.000 0.972 699 D CA 0.819 54.835 54.000 0.026 0.000 0.835 699 D CB 0.215 41.031 40.800 0.028 0.000 0.966 699 D HN 0.160 nan 8.370 nan 0.000 0.476 700 E N -0.570 119.630 120.200 -0.001 0.000 2.106 700 E HA -0.107 4.244 4.350 0.002 0.000 0.192 700 E C 2.215 178.821 176.600 0.011 0.000 0.984 700 E CA 0.491 56.903 56.400 0.019 0.000 0.806 700 E CB 0.226 29.924 29.700 -0.005 0.000 0.750 700 E HN 0.164 nan 8.360 nan 0.000 0.458 701 V N 0.753 120.638 119.914 -0.048 0.000 2.343 701 V HA -0.274 3.847 4.120 0.002 0.000 0.247 701 V C 2.237 178.262 176.094 -0.115 0.000 1.051 701 V CA 2.230 64.467 62.300 -0.104 0.000 1.036 701 V CB -0.544 31.165 31.823 -0.191 0.000 0.654 701 V HN 0.349 nan 8.190 nan 0.000 0.451 702 H N 0.591 119.575 119.070 -0.143 0.000 2.387 702 H HA -0.135 4.427 4.556 0.010 0.000 0.299 702 H C 2.420 177.709 175.328 -0.066 0.000 1.099 702 H CA 2.020 57.998 56.048 -0.116 0.000 1.315 702 H CB -0.026 29.686 29.762 -0.083 0.000 1.380 702 H HN 0.338 nan 8.280 nan 0.000 0.513 703 R N -0.523 119.909 120.500 -0.114 0.000 2.062 703 R HA -0.070 4.271 4.340 0.002 0.000 0.231 703 R C 2.497 178.720 176.300 -0.129 0.000 1.136 703 R CA 1.488 57.510 56.100 -0.129 0.000 0.948 703 R CB -0.462 29.837 30.300 -0.002 0.000 0.845 703 R HN 0.176 nan 8.270 nan 0.000 0.430 704 V N 0.899 120.770 119.914 -0.072 0.000 2.332 704 V HA -0.234 3.888 4.120 0.002 0.000 0.248 704 V C 2.399 178.460 176.094 -0.056 0.000 1.055 704 V CA 1.672 63.911 62.300 -0.101 0.000 1.038 704 V CB -0.450 31.293 31.823 -0.134 0.000 0.651 704 V HN 0.146 nan 8.190 nan 0.000 0.450 705 V N -0.267 119.604 119.914 -0.072 0.000 2.332 705 V HA -0.230 3.891 4.120 0.002 0.000 0.248 705 V C 2.637 178.709 176.094 -0.038 0.000 1.055 705 V CA 1.965 64.248 62.300 -0.029 0.000 1.038 705 V CB -0.603 31.130 31.823 -0.151 0.000 0.651 705 V HN 0.555 nan 8.190 nan 0.000 0.450 706 E N 0.163 120.253 120.200 -0.183 0.000 2.106 706 E HA -0.153 4.198 4.350 0.002 0.000 0.192 706 E C 2.361 178.909 176.600 -0.086 0.000 0.984 706 E CA 1.422 57.724 56.400 -0.164 0.000 0.806 706 E CB -0.495 29.038 29.700 -0.279 0.000 0.750 706 E HN 0.580 nan 8.360 nan 0.000 0.458 707 A N -0.001 122.750 122.820 -0.115 0.000 1.972 707 A HA -0.161 4.160 4.320 0.002 0.000 0.219 707 A C 2.034 179.512 177.584 -0.176 0.000 1.169 707 A CA 1.114 53.050 52.037 -0.168 0.000 0.635 707 A CB -0.956 17.898 19.000 -0.243 0.000 0.810 707 A HN 0.332 nan 8.150 nan 0.000 0.446 708 W N -0.128 121.140 121.300 -0.053 0.000 2.453 708 W HA 0.015 4.675 4.660 -0.001 0.000 0.289 708 W C 2.050 178.571 176.519 0.004 0.000 1.215 708 W CA 1.032 58.374 57.345 -0.005 0.000 1.297 708 W CB 0.143 29.612 29.460 0.014 0.000 1.113 708 W HN 0.171 nan 8.180 nan 0.000 0.551 709 K N 0.277 120.811 120.400 0.224 0.000 2.515 709 K HA -0.067 4.254 4.320 0.002 0.000 0.196 709 K C 1.435 178.084 176.600 0.081 0.000 1.038 709 K CA 0.625 56.990 56.287 0.130 0.000 0.967 709 K CB -0.200 32.340 32.500 0.066 0.000 0.780 709 K HN 0.284 nan 8.250 nan 0.000 0.483 710 L N -0.431 120.828 121.223 0.060 0.000 2.513 710 L HA 0.076 4.417 4.340 0.002 0.000 0.222 710 L C 1.783 178.672 176.870 0.031 0.000 1.096 710 L CA 0.327 55.179 54.840 0.019 0.000 0.857 710 L CB 0.130 42.176 42.059 -0.023 0.000 1.026 710 L HN 0.053 nan 8.230 nan 0.000 0.469 711 R N -0.078 120.470 120.500 0.079 0.000 2.280 711 R HA 0.251 4.592 4.340 0.002 0.000 0.195 711 R C 0.408 176.808 176.300 0.168 0.000 0.935 711 R CA 0.321 56.482 56.100 0.102 0.000 1.033 711 R CB 0.682 31.023 30.300 0.068 0.000 0.964 711 R HN 0.232 nan 8.270 nan 0.000 0.489 712 G N -0.146 108.755 108.800 0.168 0.000 2.633 712 G HA2 0.490 4.451 3.960 0.002 0.000 0.299 712 G HA3 0.490 4.451 3.960 0.002 0.000 0.299 712 G C -1.486 173.452 174.900 0.064 0.000 1.501 712 G CA -0.521 44.645 45.100 0.109 0.000 0.887 712 G HN 0.134 nan 8.290 nan 0.000 0.561 713 A N 2.177 125.003 122.820 0.011 0.000 2.313 713 A HA 0.889 5.211 4.320 0.002 0.000 0.261 713 A C -1.755 175.783 177.584 -0.078 0.000 1.090 713 A CA -1.133 50.884 52.037 -0.033 0.000 0.807 713 A CB 0.112 19.082 19.000 -0.050 0.000 1.055 713 A HN 0.580 nan 8.150 nan 0.000 0.492 714 P HA 0.171 nan 4.420 nan 0.000 0.271 714 P C -1.105 176.017 177.300 -0.298 0.000 1.218 714 P CA 0.230 63.152 63.100 -0.296 0.000 0.780 714 P CB 0.857 32.191 31.700 -0.610 0.000 0.901 715 D N 1.863 122.150 120.400 -0.189 0.000 2.739 715 D HA 0.179 4.820 4.640 0.002 0.000 0.335 715 D C -0.453 175.887 176.300 0.067 0.000 1.216 715 D CA -0.590 53.362 54.000 -0.079 0.000 0.808 715 D CB -0.606 40.172 40.800 -0.037 0.000 1.121 715 D HN 0.242 nan 8.370 nan 0.000 0.499 716 Y N 0.378 120.647 120.300 -0.051 0.000 2.457 716 Y HA 0.240 4.790 4.550 0.001 0.000 0.341 716 Y C 1.069 176.924 175.900 -0.074 0.000 1.240 716 Y CA -0.603 57.452 58.100 -0.074 0.000 1.437 716 Y CB 1.231 39.652 38.460 -0.066 0.000 1.328 716 Y HN 0.045 nan 8.280 nan 0.000 0.588 717 I N 2.407 123.008 120.570 0.052 0.000 2.460 717 I HA 0.069 4.240 4.170 0.002 0.000 0.277 717 I C 0.102 176.185 176.117 -0.057 0.000 1.057 717 I CA -0.176 61.116 61.300 -0.014 0.000 1.179 717 I CB 0.942 38.901 38.000 -0.067 0.000 1.329 717 I HN 0.646 nan 8.210 nan 0.000 0.478 718 E N 4.652 124.851 120.200 -0.002 0.000 2.614 718 E HA -0.099 4.253 4.350 0.002 0.000 0.321 718 E C 0.056 176.648 176.600 -0.014 0.000 1.354 718 E CA 0.327 56.718 56.400 -0.016 0.000 1.469 718 E CB 0.156 29.865 29.700 0.016 0.000 1.197 718 E HN 0.592 nan 8.360 nan 0.000 0.497 719 D N 1.053 121.429 120.400 -0.040 0.000 2.059 719 D HA 0.027 4.668 4.640 0.002 0.000 0.398 719 D C 1.348 177.638 176.300 -0.016 0.000 1.003 719 D CA -0.025 53.984 54.000 0.014 0.000 0.916 719 D CB -0.103 40.747 40.800 0.084 0.000 1.647 719 D HN 0.355 nan 8.370 nan 0.000 0.529 720 I N 0.897 121.341 120.570 -0.210 0.000 2.179 720 I HA -0.170 4.001 4.170 0.002 0.000 0.242 720 I C 2.101 178.110 176.117 -0.181 0.000 1.088 720 I CA 1.019 62.066 61.300 -0.422 0.000 1.357 720 I CB -0.044 37.462 38.000 -0.823 0.000 1.051 720 I HN 0.047 nan 8.210 nan 0.000 0.409 721 L N 0.018 121.146 121.223 -0.157 0.000 2.375 721 L HA 0.059 4.400 4.340 0.002 0.000 0.215 721 L C 2.779 179.624 176.870 -0.043 0.000 1.108 721 L CA 0.473 55.256 54.840 -0.096 0.000 0.830 721 L CB -0.615 41.377 42.059 -0.111 0.000 0.959 721 L HN 0.169 nan 8.230 nan 0.000 0.457 722 A N 0.463 123.264 122.820 -0.031 0.000 1.859 722 A HA 0.117 4.438 4.320 0.002 0.000 0.217 722 A C 1.266 178.858 177.584 0.013 0.000 1.198 722 A CA 1.884 53.919 52.037 -0.003 0.000 0.629 722 A CB -0.614 18.392 19.000 0.009 0.000 0.830 722 A HN 0.449 nan 8.150 nan 0.000 0.446 723 G N 0.000 108.819 108.800 0.032 0.000 5.446 723 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 723 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 723 G CA 0.000 nan 45.100 nan 0.000 0.502 723 G HN 0.000 nan 8.290 nan 0.000 0.925