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 3l7m_1_A DATA FIRST_RESID 314 DATA SEQUENCE FKVNQFRKTL RHVKNIVLRR KNKERSLYDL TDKEDNVKPK TIVFESFGGK DATA SEQUENCE NYSDSPKYIY EYMQKYYPNY RYIWSFKNPD KNVVPGSAEK VKRNSAEYYQ DATA SEQUENCE AYSEASHWVS NARTPLYLNK KENQTYIQTW HGTPLKRLAN DMKVVRMPGT DATA SEQUENCE TTPKYKRNFN RETSRWDYLI SPNRYSTEIF RSAFWMDEER ILEIGYPRND DATA SEQUENCE VLVNRANDQE YLDEIRTHLN LPSDKKVIMY APTWRDDEFV SKXXXLFELK DATA SEQUENCE IDLDNLYKEL GDDYVILLRM AYLISNALDL SGYENFAIDV SNYNDVSELF DATA SEQUENCE LISDCLITDY SSVMFDYGIL KRPQFFFAYD IDKYDKGLRG FYMNYMEDLP DATA SEQUENCE GPIYTEPYGL AKELKNLDKV QQQYQEKIDA FYDRFCSVDN GKASQYIGDL DATA SEQUENCE IHKDIKEQLE 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 314 F HA 0.000 nan 4.527 nan 0.000 0.279 314 F C 0.000 175.794 175.800 -0.010 0.000 0.967 314 F CA 0.000 57.995 58.000 -0.009 0.000 1.383 314 F CB 0.000 38.986 39.000 -0.023 0.000 1.145 315 K N 1.308 121.772 120.400 0.107 0.000 2.237 315 K HA 0.420 4.740 4.320 -0.000 0.000 0.270 315 K C 1.172 177.843 176.600 0.118 0.000 1.015 315 K CA -0.305 56.028 56.287 0.078 0.000 0.949 315 K CB 1.430 33.950 32.500 0.034 0.000 0.976 315 K HN 0.448 nan 8.250 nan 0.000 0.472 316 V N -0.494 119.474 119.914 0.090 0.000 2.427 316 V HA -0.219 3.901 4.120 -0.000 0.000 0.248 316 V C 1.327 177.510 176.094 0.149 0.000 1.051 316 V CA 1.467 63.841 62.300 0.124 0.000 1.048 316 V CB -0.469 31.399 31.823 0.076 0.000 0.666 316 V HN 0.612 nan 8.190 nan 0.000 0.456 317 N N 0.449 119.203 118.700 0.090 0.000 2.084 317 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 317 N C 1.975 177.526 175.510 0.067 0.000 1.030 317 N CA 1.703 54.792 53.050 0.065 0.000 0.849 317 N CB -0.497 38.008 38.487 0.030 0.000 1.012 317 N HN 0.504 nan 8.380 nan 0.000 0.423 318 Q N -0.515 119.332 119.800 0.078 0.000 2.170 318 Q HA -0.058 4.282 4.340 -0.000 0.000 0.203 318 Q C 1.795 177.868 176.000 0.122 0.000 0.976 318 Q CA 0.681 56.527 55.803 0.071 0.000 0.858 318 Q CB -0.411 28.363 28.738 0.060 0.000 0.907 318 Q HN 0.417 nan 8.270 nan 0.000 0.433 319 F N 1.241 121.214 119.950 0.038 0.000 2.259 319 F HA -0.085 4.442 4.527 -0.000 0.000 0.298 319 F C 2.158 177.978 175.800 0.034 0.000 1.088 319 F CA 1.038 59.067 58.000 0.048 0.000 1.358 319 F CB 0.106 39.139 39.000 0.054 0.000 1.040 319 F HN -0.070 nan 8.300 nan 0.000 0.505 320 R N 0.412 120.909 120.500 -0.005 0.000 2.075 320 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 320 R C 2.180 178.411 176.300 -0.115 0.000 1.126 320 R CA 1.608 57.654 56.100 -0.090 0.000 0.963 320 R CB -0.267 30.044 30.300 0.018 0.000 0.858 320 R HN 0.287 nan 8.270 nan 0.000 0.435 321 K N -0.293 120.069 120.400 -0.062 0.000 2.025 321 K HA -0.062 4.258 4.320 -0.000 0.000 0.207 321 K C 2.165 178.724 176.600 -0.068 0.000 1.049 321 K CA 1.630 57.883 56.287 -0.055 0.000 0.933 321 K CB -0.268 32.203 32.500 -0.048 0.000 0.714 321 K HN 0.046 nan 8.250 nan 0.000 0.438 322 T N 1.900 116.400 114.554 -0.089 0.000 2.635 322 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 322 T C 1.755 176.386 174.700 -0.115 0.000 1.040 322 T CA 1.241 63.297 62.100 -0.073 0.000 1.156 322 T CB -0.213 68.621 68.868 -0.057 0.000 0.863 322 T HN -0.004 nan 8.240 nan 0.000 0.430 323 L N 0.738 121.788 121.223 -0.289 0.000 2.042 323 L HA 0.013 4.353 4.340 -0.000 0.000 0.210 323 L C 2.531 179.326 176.870 -0.125 0.000 1.076 323 L CA 1.620 56.300 54.840 -0.267 0.000 0.749 323 L CB -0.747 41.060 42.059 -0.421 0.000 0.893 323 L HN 0.134 nan 8.230 nan 0.000 0.432 324 R N -1.688 118.758 120.500 -0.091 0.000 2.083 324 R HA -0.251 4.089 4.340 -0.000 0.000 0.237 324 R C 2.433 178.739 176.300 0.009 0.000 1.137 324 R CA 1.749 57.828 56.100 -0.036 0.000 0.951 324 R CB -0.305 29.982 30.300 -0.021 0.000 0.851 324 R HN 0.446 nan 8.270 nan 0.000 0.434 325 H N -0.517 118.505 119.070 -0.080 0.000 2.326 325 H HA -0.032 4.524 4.556 -0.000 0.000 0.301 325 H C 1.825 177.120 175.328 -0.054 0.000 1.081 325 H CA 1.820 57.831 56.048 -0.063 0.000 1.334 325 H CB -0.217 29.511 29.762 -0.058 0.000 1.385 325 H HN 0.021 nan 8.280 nan 0.000 0.504 326 V N 0.994 120.866 119.914 -0.069 0.000 2.317 326 V HA -0.335 3.785 4.120 -0.000 0.000 0.251 326 V C 2.550 178.572 176.094 -0.120 0.000 1.065 326 V CA 2.406 64.639 62.300 -0.111 0.000 1.049 326 V CB -0.574 31.210 31.823 -0.065 0.000 0.651 326 V HN 0.451 nan 8.190 nan 0.000 0.450 327 K N 0.004 120.349 120.400 -0.091 0.000 1.984 327 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 327 K C 2.115 178.661 176.600 -0.090 0.000 1.046 327 K CA 1.812 58.054 56.287 -0.076 0.000 0.934 327 K CB -0.228 32.239 32.500 -0.055 0.000 0.717 327 K HN 0.420 nan 8.250 nan 0.000 0.438 328 N N 1.075 119.715 118.700 -0.100 0.000 2.069 328 N HA -0.190 4.550 4.740 -0.000 0.000 0.191 328 N C 1.898 177.323 175.510 -0.142 0.000 1.031 328 N CA 1.274 54.264 53.050 -0.100 0.000 0.852 328 N CB -0.303 38.144 38.487 -0.067 0.000 1.018 328 N HN 0.188 nan 8.380 nan 0.000 0.423 329 I N 0.306 120.726 120.570 -0.250 0.000 2.179 329 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 329 I C 2.027 178.068 176.117 -0.128 0.000 1.088 329 I CA 0.768 61.931 61.300 -0.229 0.000 1.357 329 I CB -0.015 37.782 38.000 -0.338 0.000 1.051 329 I HN -0.092 nan 8.210 nan 0.000 0.409 330 V N 0.181 120.028 119.914 -0.112 0.000 2.548 330 V HA -0.168 3.952 4.120 -0.000 0.000 0.249 330 V C 1.880 177.942 176.094 -0.054 0.000 1.055 330 V CA 1.271 63.529 62.300 -0.071 0.000 1.065 330 V CB -0.313 31.474 31.823 -0.060 0.000 0.681 330 V HN 0.347 nan 8.190 nan 0.000 0.462 331 L N -0.515 120.674 121.223 -0.056 0.000 2.592 331 L HA 0.217 4.557 4.340 -0.000 0.000 0.227 331 L C 0.978 177.825 176.870 -0.039 0.000 1.127 331 L CA -0.023 54.792 54.840 -0.041 0.000 0.884 331 L CB -0.221 41.815 42.059 -0.037 0.000 1.065 331 L HN 0.324 nan 8.230 nan 0.000 0.457 332 R N -0.185 120.287 120.500 -0.047 0.000 3.502 332 R HA -0.203 4.137 4.340 -0.000 0.000 0.266 332 R C 0.088 176.368 176.300 -0.032 0.000 1.077 332 R CA 0.194 56.271 56.100 -0.039 0.000 0.718 332 R CB -1.763 28.521 30.300 -0.027 0.000 1.120 332 R HN 0.179 nan 8.270 nan 0.000 0.457 333 R N 0.981 121.458 120.500 -0.038 0.000 2.827 333 R HA 0.076 4.416 4.340 -0.000 0.000 0.269 333 R C 1.369 177.653 176.300 -0.026 0.000 1.048 333 R CA 0.210 56.291 56.100 -0.031 0.000 1.173 333 R CB 0.306 30.585 30.300 -0.036 0.000 1.070 333 R HN 0.176 nan 8.270 nan 0.000 0.498 334 K N 0.604 120.990 120.400 -0.023 0.000 2.314 334 K HA 0.105 4.425 4.320 -0.000 0.000 0.198 334 K C 0.382 176.972 176.600 -0.015 0.000 1.045 334 K CA 0.373 56.651 56.287 -0.015 0.000 0.988 334 K CB 0.341 32.831 32.500 -0.016 0.000 0.783 334 K HN 0.399 nan 8.250 nan 0.000 0.484 335 N N 1.686 120.365 118.700 -0.035 0.000 2.515 335 N HA -0.113 4.627 4.740 -0.000 0.000 0.191 335 N C 0.994 176.486 175.510 -0.030 0.000 1.182 335 N CA 0.533 53.550 53.050 -0.056 0.000 0.879 335 N CB 0.217 38.654 38.487 -0.084 0.000 0.984 335 N HN 0.387 nan 8.380 nan 0.000 0.453 336 K N 0.885 121.284 120.400 -0.002 0.000 2.103 336 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 336 K C 1.182 177.838 176.600 0.094 0.000 1.048 336 K CA 1.016 57.329 56.287 0.043 0.000 0.930 336 K CB 0.075 32.569 32.500 -0.009 0.000 0.716 336 K HN -0.122 nan 8.250 nan 0.000 0.444 337 E N 0.987 121.211 120.200 0.040 0.000 2.204 337 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 337 E C 2.070 178.546 176.600 -0.207 0.000 0.989 337 E CA 0.978 57.401 56.400 0.037 0.000 0.824 337 E CB 0.012 29.800 29.700 0.147 0.000 0.756 337 E HN 0.478 nan 8.360 nan 0.000 0.477 338 R N 0.559 120.875 120.500 -0.308 0.000 2.066 338 R HA -0.049 4.291 4.340 -0.000 0.000 0.224 338 R C 2.425 178.559 176.300 -0.278 0.000 1.122 338 R CA 1.477 57.199 56.100 -0.629 0.000 0.974 338 R CB -0.121 29.926 30.300 -0.420 0.000 0.871 338 R HN 0.097 nan 8.270 nan 0.000 0.435 339 S N 1.216 116.853 115.700 -0.105 0.000 2.383 339 S HA -0.179 4.291 4.470 -0.000 0.000 0.229 339 S C 1.924 176.389 174.600 -0.225 0.000 1.030 339 S CA 1.162 59.336 58.200 -0.044 0.000 1.002 339 S CB -0.577 62.714 63.200 0.151 0.000 0.829 339 S HN 0.341 nan 8.310 nan 0.000 0.467 340 L N 1.245 122.288 121.223 -0.299 0.000 1.994 340 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 340 L C 2.267 178.998 176.870 -0.231 0.000 1.071 340 L CA 1.954 56.509 54.840 -0.474 0.000 0.745 340 L CB -1.539 40.404 42.059 -0.194 0.000 0.892 340 L HN 0.408 nan 8.230 nan 0.000 0.431 341 Y N 0.494 120.621 120.300 -0.288 0.000 2.069 341 Y HA -0.349 4.201 4.550 -0.000 0.000 0.278 341 Y C 2.353 178.162 175.900 -0.151 0.000 1.175 341 Y CA 2.324 60.296 58.100 -0.213 0.000 1.134 341 Y CB -0.730 37.500 38.460 -0.385 0.000 0.965 341 Y HN 0.443 nan 8.280 nan 0.000 0.498 342 D N 0.004 120.300 120.400 -0.174 0.000 2.221 342 D HA -0.180 4.460 4.640 -0.000 0.000 0.204 342 D C 2.094 178.260 176.300 -0.224 0.000 0.982 342 D CA 1.217 55.096 54.000 -0.202 0.000 0.857 342 D CB -0.288 40.497 40.800 -0.025 0.000 0.934 342 D HN 0.520 nan 8.370 nan 0.000 0.475 343 L N -0.566 120.520 121.223 -0.227 0.000 2.162 343 L HA -0.018 4.322 4.340 -0.000 0.000 0.205 343 L C 1.937 178.702 176.870 -0.176 0.000 1.086 343 L CA 1.582 56.306 54.840 -0.193 0.000 0.778 343 L CB -0.169 41.746 42.059 -0.241 0.000 0.928 343 L HN 0.218 nan 8.230 nan 0.000 0.446 344 T N -5.383 109.051 114.554 -0.201 0.000 3.085 344 T HA 0.031 4.381 4.350 -0.000 0.000 0.264 344 T C 0.266 174.866 174.700 -0.167 0.000 1.019 344 T CA -0.430 61.580 62.100 -0.150 0.000 0.910 344 T CB -0.091 68.711 68.868 -0.111 0.000 1.059 344 T HN -0.031 nan 8.240 nan 0.000 0.542 345 D N 2.627 122.870 120.400 -0.261 0.000 2.374 345 D HA 0.239 4.879 4.640 -0.000 0.000 0.240 345 D C -0.047 176.151 176.300 -0.170 0.000 1.229 345 D CA -0.271 53.557 54.000 -0.286 0.000 0.895 345 D CB 0.457 40.911 40.800 -0.576 0.000 1.046 345 D HN 0.490 nan 8.370 nan 0.000 0.498 346 K N 2.448 122.783 120.400 -0.108 0.000 2.238 346 K HA 0.318 4.638 4.320 -0.000 0.000 0.239 346 K C 0.738 177.304 176.600 -0.057 0.000 0.987 346 K CA -0.923 55.317 56.287 -0.077 0.000 0.857 346 K CB 1.605 34.068 32.500 -0.063 0.000 1.154 346 K HN 0.123 nan 8.250 nan 0.000 0.439 347 E N 0.819 120.988 120.200 -0.052 0.000 2.153 347 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 347 E C 0.595 177.173 176.600 -0.036 0.000 0.988 347 E CA 1.294 57.667 56.400 -0.045 0.000 0.811 347 E CB 0.117 29.787 29.700 -0.049 0.000 0.746 347 E HN 0.493 nan 8.360 nan 0.000 0.466 348 D N -0.096 120.283 120.400 -0.035 0.000 2.384 348 D HA -0.101 4.539 4.640 -0.000 0.000 0.222 348 D C 0.823 177.112 176.300 -0.018 0.000 0.976 348 D CA 0.605 54.589 54.000 -0.027 0.000 0.915 348 D CB -0.269 40.515 40.800 -0.027 0.000 0.896 348 D HN 0.335 nan 8.370 nan 0.000 0.523 349 N N -0.562 118.129 118.700 -0.015 0.000 2.446 349 N HA -0.018 4.722 4.740 -0.000 0.000 0.179 349 N C 0.091 175.606 175.510 0.008 0.000 1.054 349 N CA -0.141 52.909 53.050 0.000 0.000 0.905 349 N CB 0.796 39.287 38.487 0.007 0.000 0.973 349 N HN -0.073 nan 8.380 nan 0.000 0.448 350 V N 2.421 122.335 119.914 -0.000 0.000 2.485 350 V HA -0.004 4.116 4.120 -0.000 0.000 0.287 350 V C 0.199 176.289 176.094 -0.007 0.000 1.022 350 V CA 0.471 62.770 62.300 -0.002 0.000 1.067 350 V CB 0.531 32.341 31.823 -0.022 0.000 0.967 350 V HN 0.125 nan 8.190 nan 0.000 0.479 351 K N 7.203 127.601 120.400 -0.004 0.000 2.334 351 K HA 0.314 4.634 4.320 -0.000 0.000 0.265 351 K C -1.818 174.768 176.600 -0.023 0.000 1.039 351 K CA -1.602 54.681 56.287 -0.008 0.000 0.920 351 K CB 1.517 34.018 32.500 0.001 0.000 1.160 351 K HN 0.325 nan 8.250 nan 0.000 0.451 352 P HA -0.276 nan 4.420 nan 0.000 0.218 352 P C 0.181 177.413 177.300 -0.113 0.000 1.150 352 P CA 1.452 64.521 63.100 -0.052 0.000 0.841 352 P CB 0.134 31.808 31.700 -0.044 0.000 0.784 353 K N -1.964 118.384 120.400 -0.086 0.000 2.577 353 K HA 0.202 4.522 4.320 -0.000 0.000 0.210 353 K C -0.372 176.147 176.600 -0.134 0.000 1.048 353 K CA -0.080 56.120 56.287 -0.144 0.000 1.188 353 K CB -0.280 32.305 32.500 0.142 0.000 0.910 353 K HN -0.164 nan 8.250 nan 0.000 0.483 354 T N 2.026 116.509 114.554 -0.118 0.000 2.771 354 T HA 0.481 4.831 4.350 -0.000 0.000 0.281 354 T C -0.507 174.123 174.700 -0.117 0.000 0.982 354 T CA -0.550 61.492 62.100 -0.096 0.000 0.978 354 T CB 0.880 69.722 68.868 -0.043 0.000 0.930 354 T HN 0.202 nan 8.240 nan 0.000 0.447 355 I N 3.056 123.553 120.570 -0.121 0.000 2.466 355 I HA 0.455 4.625 4.170 -0.000 0.000 0.289 355 I C -0.507 175.573 176.117 -0.062 0.000 1.026 355 I CA -1.170 60.078 61.300 -0.087 0.000 1.078 355 I CB 2.045 40.020 38.000 -0.041 0.000 1.249 355 I HN 0.229 nan 8.210 nan 0.000 0.429 356 V N 6.316 126.065 119.914 -0.274 0.000 2.472 356 V HA 0.455 4.575 4.120 -0.000 0.000 0.290 356 V C -0.490 175.235 176.094 -0.615 0.000 1.037 356 V CA -0.332 61.701 62.300 -0.446 0.000 0.908 356 V CB 1.459 32.721 31.823 -0.936 0.000 0.985 356 V HN 0.402 nan 8.190 nan 0.000 0.454 357 F N 2.486 122.020 119.950 -0.693 0.000 2.546 357 F HA 0.683 5.210 4.527 -0.000 0.000 0.320 357 F C 0.170 175.379 175.800 -0.985 0.000 1.076 357 F CA -0.477 56.919 58.000 -1.007 0.000 0.928 357 F CB 1.959 39.821 39.000 -1.897 0.000 1.189 357 F HN 0.436 nan 8.300 nan 0.000 0.465 358 E N 1.011 120.895 120.200 -0.527 0.000 2.352 358 E HA 0.467 4.817 4.350 -0.000 0.000 0.280 358 E C -1.772 174.753 176.600 -0.124 0.000 0.930 358 E CA -0.585 55.658 56.400 -0.261 0.000 0.765 358 E CB 2.142 31.778 29.700 -0.107 0.000 1.219 358 E HN 0.570 nan 8.360 nan 0.000 0.434 359 S N 2.961 118.700 115.700 0.065 0.000 2.557 359 S HA 0.474 4.944 4.470 -0.000 0.000 0.291 359 S C -0.445 174.205 174.600 0.083 0.000 1.116 359 S CA -0.398 57.807 58.200 0.008 0.000 0.992 359 S CB 0.252 63.542 63.200 0.151 0.000 1.028 359 S HN 0.614 nan 8.310 nan 0.000 0.484 360 F N 2.047 122.009 119.950 0.020 0.000 3.004 360 F HA -0.126 4.401 4.527 -0.000 0.000 0.264 360 F C 1.579 177.373 175.800 -0.011 0.000 0.979 360 F CA 1.141 59.123 58.000 -0.030 0.000 0.896 360 F CB -1.778 37.185 39.000 -0.062 0.000 0.813 360 F HN 1.474 nan 8.300 nan 0.000 0.804 361 G N -0.965 107.894 108.800 0.098 0.000 2.198 361 G HA2 0.166 4.126 3.960 -0.000 0.000 0.260 361 G HA3 0.166 4.126 3.960 -0.000 0.000 0.260 361 G C 1.313 176.250 174.900 0.061 0.000 1.025 361 G CA 0.979 46.113 45.100 0.058 0.000 0.769 361 G HN 2.327 nan 8.290 nan 0.000 0.507 362 G N -0.558 108.297 108.800 0.091 0.000 2.130 362 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.216 362 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.216 362 G C 0.941 175.965 174.900 0.206 0.000 0.999 362 G CA 1.312 46.472 45.100 0.099 0.000 0.686 362 G HN 1.807 nan 8.290 nan 0.000 0.515 363 K N -0.962 119.558 120.400 0.200 0.000 2.314 363 K HA 0.208 4.528 4.320 -0.000 0.000 0.198 363 K C 0.666 177.413 176.600 0.245 0.000 1.045 363 K CA 0.728 57.113 56.287 0.163 0.000 0.988 363 K CB 0.207 32.742 32.500 0.058 0.000 0.783 363 K HN 0.268 nan 8.250 nan 0.000 0.484 364 N N -0.441 118.474 118.700 0.359 0.000 2.571 364 N HA 0.164 4.904 4.740 -0.000 0.000 0.273 364 N C -2.158 173.703 175.510 0.585 0.000 1.340 364 N CA -0.738 52.541 53.050 0.382 0.000 0.789 364 N CB 1.326 39.995 38.487 0.303 0.000 1.514 364 N HN 0.115 nan 8.380 nan 0.000 0.499 365 Y N 1.325 121.784 120.300 0.265 0.000 2.587 365 Y HA 0.563 5.113 4.550 -0.000 0.000 0.328 365 Y C -0.532 175.372 175.900 0.007 0.000 0.980 365 Y CA -0.397 57.668 58.100 -0.058 0.000 1.272 365 Y CB -0.137 38.153 38.460 -0.285 0.000 1.094 365 Y HN 0.562 nan 8.280 nan 0.000 0.503 366 S N 2.915 118.547 115.700 -0.113 0.000 2.636 366 S HA 0.607 5.077 4.470 -0.000 0.000 0.266 366 S C -0.885 173.818 174.600 0.171 0.000 1.147 366 S CA -0.409 57.798 58.200 0.012 0.000 0.815 366 S CB 1.598 64.903 63.200 0.175 0.000 1.119 366 S HN 0.762 nan 8.310 nan 0.000 0.470 367 D N 0.070 120.617 120.400 0.245 0.000 3.841 367 D HA -0.179 4.460 4.640 -0.000 0.000 0.276 367 D C 1.117 177.576 176.300 0.266 0.000 2.088 367 D CA 1.370 55.511 54.000 0.235 0.000 1.152 367 D CB -1.132 39.756 40.800 0.147 0.000 0.944 367 D HN 0.603 nan 8.370 nan 0.000 1.144 368 S N -0.439 115.358 115.700 0.162 0.000 2.372 368 S HA -0.130 4.340 4.470 -0.000 0.000 0.227 368 S C -1.261 173.527 174.600 0.314 0.000 1.044 368 S CA 2.050 60.381 58.200 0.218 0.000 1.050 368 S CB -0.716 62.581 63.200 0.162 0.000 0.901 368 S HN 0.405 nan 8.310 nan 0.000 0.447 369 P HA -0.153 nan 4.420 nan 0.000 0.217 369 P C 1.377 179.021 177.300 0.573 0.000 1.148 369 P CA 1.129 64.477 63.100 0.414 0.000 0.828 369 P CB 0.001 31.855 31.700 0.257 0.000 0.783 370 K N -0.761 119.918 120.400 0.465 0.000 1.978 370 K HA -0.204 4.116 4.320 -0.000 0.000 0.214 370 K C 1.981 178.720 176.600 0.231 0.000 1.049 370 K CA 1.744 58.143 56.287 0.186 0.000 0.939 370 K CB -0.729 31.617 32.500 -0.257 0.000 0.721 370 K HN 0.048 nan 8.250 nan 0.000 0.441 371 Y N 1.130 121.541 120.300 0.185 0.000 2.333 371 Y HA -0.139 4.411 4.550 -0.000 0.000 0.290 371 Y C 2.102 178.151 175.900 0.248 0.000 1.144 371 Y CA 1.059 59.274 58.100 0.192 0.000 1.228 371 Y CB -0.211 38.342 38.460 0.155 0.000 0.985 371 Y HN 0.111 nan 8.280 nan 0.000 0.542 372 I N -1.629 119.201 120.570 0.434 0.000 2.252 372 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 372 I C 2.256 178.637 176.117 0.440 0.000 1.102 372 I CA 1.523 63.082 61.300 0.432 0.000 1.385 372 I CB -0.536 37.757 38.000 0.489 0.000 1.064 372 I HN 0.190 nan 8.210 nan 0.000 0.414 373 Y N 2.150 122.565 120.300 0.193 0.000 2.145 373 Y HA -0.243 4.307 4.550 -0.000 0.000 0.286 373 Y C 2.478 178.370 175.900 -0.013 0.000 1.145 373 Y CA 1.650 59.665 58.100 -0.141 0.000 1.148 373 Y CB -0.279 38.034 38.460 -0.246 0.000 0.981 373 Y HN 0.136 nan 8.280 nan 0.000 0.507 374 E N -0.983 119.216 120.200 -0.001 0.000 2.085 374 E HA -0.305 4.045 4.350 -0.000 0.000 0.194 374 E C 1.983 178.542 176.600 -0.068 0.000 0.994 374 E CA 1.685 58.009 56.400 -0.128 0.000 0.801 374 E CB -0.623 29.044 29.700 -0.055 0.000 0.743 374 E HN 0.710 nan 8.360 nan 0.000 0.453 375 Y N 0.823 121.121 120.300 -0.003 0.000 2.242 375 Y HA -0.148 4.402 4.550 -0.000 0.000 0.291 375 Y C 2.141 178.115 175.900 0.123 0.000 1.137 375 Y CA 1.493 59.645 58.100 0.086 0.000 1.181 375 Y CB -0.021 38.509 38.460 0.117 0.000 0.989 375 Y HN -0.077 nan 8.280 nan 0.000 0.527 376 M N -0.371 119.327 119.600 0.163 0.000 2.349 376 M HA -0.155 4.325 4.480 -0.000 0.000 0.266 376 M C 1.929 178.173 176.300 -0.094 0.000 1.076 376 M CA 0.825 56.255 55.300 0.218 0.000 1.126 376 M CB -0.158 32.773 32.600 0.553 0.000 1.392 376 M HN 0.181 nan 8.290 nan 0.000 0.440 377 Q N 0.808 120.324 119.800 -0.473 0.000 2.297 377 Q HA -0.183 4.157 4.340 -0.000 0.000 0.208 377 Q C 1.804 177.628 176.000 -0.294 0.000 0.981 377 Q CA 1.453 56.934 55.803 -0.536 0.000 0.876 377 Q CB -0.180 28.137 28.738 -0.702 0.000 0.921 377 Q HN 0.560 nan 8.270 nan 0.000 0.446 378 K N -1.244 118.998 120.400 -0.263 0.000 2.190 378 K HA -0.017 4.303 4.320 -0.000 0.000 0.202 378 K C 1.277 177.591 176.600 -0.476 0.000 1.045 378 K CA 0.342 56.430 56.287 -0.331 0.000 0.976 378 K CB 0.154 32.463 32.500 -0.319 0.000 0.849 378 K HN 0.076 nan 8.250 nan 0.000 0.468 379 Y N -0.891 119.057 120.300 -0.586 0.000 2.500 379 Y HA 0.102 4.652 4.550 -0.000 0.000 0.270 379 Y C -0.245 175.029 175.900 -1.043 0.000 1.134 379 Y CA -0.139 57.447 58.100 -0.855 0.000 1.293 379 Y CB 0.667 38.414 38.460 -1.188 0.000 1.063 379 Y HN -0.007 nan 8.280 nan 0.000 0.534 380 Y N -1.138 119.164 120.300 0.002 0.000 2.516 380 Y HA 0.335 4.885 4.550 -0.000 0.000 0.329 380 Y C -2.470 173.450 175.900 0.034 0.000 1.095 380 Y CA -3.033 55.059 58.100 -0.014 0.000 1.213 380 Y CB 0.449 38.983 38.460 0.123 0.000 1.109 380 Y HN -0.076 nan 8.280 nan 0.000 0.630 381 P HA 0.023 nan 4.420 nan 0.000 0.245 381 P C 0.786 178.158 177.300 0.121 0.000 1.212 381 P CA 0.943 64.089 63.100 0.077 0.000 0.774 381 P CB 0.499 32.180 31.700 -0.032 0.000 0.999 382 N N -1.327 117.373 118.700 -0.000 0.000 2.424 382 N HA -0.005 4.735 4.740 -0.000 0.000 0.178 382 N C 0.467 175.945 175.510 -0.053 0.000 1.060 382 N CA 0.338 53.342 53.050 -0.075 0.000 0.901 382 N CB -0.218 38.171 38.487 -0.163 0.000 0.979 382 N HN 0.312 nan 8.380 nan 0.000 0.451 383 Y N 0.823 121.187 120.300 0.106 0.000 2.298 383 Y HA 0.219 4.769 4.550 -0.000 0.000 0.329 383 Y C 1.188 176.979 175.900 -0.182 0.000 1.293 383 Y CA -1.020 57.003 58.100 -0.128 0.000 1.388 383 Y CB 0.858 39.100 38.460 -0.365 0.000 1.309 383 Y HN -0.290 nan 8.280 nan 0.000 0.544 384 R N 1.855 122.357 120.500 0.003 0.000 2.242 384 R HA 0.196 4.536 4.340 -0.000 0.000 0.334 384 R C -1.943 174.318 176.300 -0.065 0.000 1.071 384 R CA -0.176 55.939 56.100 0.025 0.000 0.922 384 R CB -0.119 30.207 30.300 0.043 0.000 1.023 384 R HN 0.557 nan 8.270 nan 0.000 0.458 385 Y N 5.133 125.594 120.300 0.269 0.000 2.328 385 Y HA 0.380 4.930 4.550 -0.000 0.000 0.337 385 Y C 0.271 176.329 175.900 0.264 0.000 1.008 385 Y CA -0.587 57.718 58.100 0.342 0.000 1.129 385 Y CB 1.284 40.051 38.460 0.511 0.000 1.185 385 Y HN 0.367 nan 8.280 nan 0.000 0.476 386 I N 2.702 123.471 120.570 0.331 0.000 2.465 386 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 386 I C -1.149 175.048 176.117 0.134 0.000 1.014 386 I CA -0.749 60.665 61.300 0.190 0.000 1.093 386 I CB 1.621 39.631 38.000 0.016 0.000 1.267 386 I HN 0.537 nan 8.210 nan 0.000 0.431 387 W N 3.988 125.309 121.300 0.034 0.000 2.666 387 W HA 0.529 5.189 4.660 -0.000 0.000 0.334 387 W C 0.197 176.634 176.519 -0.136 0.000 1.051 387 W CA -0.442 56.856 57.345 -0.079 0.000 1.224 387 W CB 2.045 31.442 29.460 -0.105 0.000 1.405 387 W HN 0.303 nan 8.180 nan 0.000 0.513 388 S N 3.202 118.847 115.700 -0.092 0.000 2.454 388 S HA 0.807 5.277 4.470 -0.000 0.000 0.306 388 S C -1.236 173.197 174.600 -0.278 0.000 1.100 388 S CA -0.341 57.852 58.200 -0.012 0.000 1.087 388 S CB 0.211 63.515 63.200 0.173 0.000 1.019 388 S HN 0.263 nan 8.310 nan 0.000 0.480 389 F N 2.233 122.279 119.950 0.160 0.000 2.629 389 F HA 0.519 5.046 4.527 -0.000 0.000 0.316 389 F C 1.096 176.898 175.800 0.004 0.000 1.081 389 F CA -0.975 57.085 58.000 0.100 0.000 0.954 389 F CB 1.757 40.804 39.000 0.079 0.000 1.337 389 F HN 0.504 nan 8.300 nan 0.000 0.474 390 K N 0.067 120.586 120.400 0.197 0.000 2.031 390 K HA 0.045 4.365 4.320 -0.000 0.000 0.205 390 K C -0.120 176.511 176.600 0.051 0.000 1.049 390 K CA 1.124 57.446 56.287 0.058 0.000 0.939 390 K CB 0.028 32.547 32.500 0.031 0.000 0.717 390 K HN 0.337 nan 8.250 nan 0.000 0.438 391 N N 0.469 119.214 118.700 0.074 0.000 2.790 391 N HA 0.154 4.894 4.740 -0.000 0.000 0.256 391 N C -2.467 173.007 175.510 -0.059 0.000 1.409 391 N CA -1.197 51.853 53.050 0.001 0.000 0.799 391 N CB 1.511 39.980 38.487 -0.030 0.000 1.170 391 N HN -0.112 nan 8.380 nan 0.000 0.507 392 P HA -0.091 nan 4.420 nan 0.000 0.218 392 P C 0.612 177.773 177.300 -0.231 0.000 1.148 392 P CA 1.145 64.154 63.100 -0.153 0.000 0.822 392 P CB 0.453 32.170 31.700 0.029 0.000 0.784 393 D N -0.990 119.330 120.400 -0.133 0.000 2.378 393 D HA -0.053 4.587 4.640 -0.000 0.000 0.227 393 D C 1.007 177.219 176.300 -0.147 0.000 1.012 393 D CA 0.892 54.818 54.000 -0.124 0.000 0.905 393 D CB -0.178 40.578 40.800 -0.074 0.000 0.895 393 D HN 0.271 nan 8.370 nan 0.000 0.532 394 K N 0.001 120.291 120.400 -0.183 0.000 2.478 394 K HA 0.174 4.494 4.320 -0.000 0.000 0.205 394 K C -0.161 176.297 176.600 -0.236 0.000 1.033 394 K CA -0.251 55.936 56.287 -0.167 0.000 1.091 394 K CB 0.865 33.297 32.500 -0.114 0.000 0.844 394 K HN -0.072 nan 8.250 nan 0.000 0.507 395 N N 0.663 119.134 118.700 -0.382 0.000 2.258 395 N HA 0.238 4.978 4.740 -0.000 0.000 0.299 395 N C -1.309 173.917 175.510 -0.474 0.000 1.047 395 N CA -0.448 52.298 53.050 -0.507 0.000 0.814 395 N CB 2.791 40.646 38.487 -1.053 0.000 1.413 395 N HN -0.240 nan 8.380 nan 0.000 0.478 396 V N 2.451 122.142 119.914 -0.370 0.000 2.333 396 V HA 0.323 4.443 4.120 -0.000 0.000 0.274 396 V C -0.156 175.621 176.094 -0.527 0.000 1.028 396 V CA -0.561 61.531 62.300 -0.347 0.000 0.851 396 V CB 1.404 33.097 31.823 -0.216 0.000 1.000 396 V HN 0.322 nan 8.190 nan 0.000 0.456 397 V N 7.948 127.515 119.914 -0.577 0.000 2.378 397 V HA 0.431 4.551 4.120 -0.000 0.000 0.288 397 V C -1.987 173.822 176.094 -0.475 0.000 1.016 397 V CA -1.502 60.288 62.300 -0.849 0.000 0.840 397 V CB 1.587 32.928 31.823 -0.802 0.000 0.994 397 V HN 0.762 nan 8.190 nan 0.000 0.431 398 P HA 0.572 nan 4.420 nan 0.000 0.274 398 P C 0.481 177.765 177.300 -0.027 0.000 1.256 398 P CA 0.724 63.738 63.100 -0.144 0.000 0.795 398 P CB 0.570 32.225 31.700 -0.075 0.000 1.038 399 G N 0.245 109.034 108.800 -0.018 0.000 2.741 399 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.222 399 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.222 399 G C 0.974 175.913 174.900 0.066 0.000 1.364 399 G CA 0.152 45.256 45.100 0.007 0.000 0.866 399 G HN 0.698 nan 8.290 nan 0.000 0.555 400 S N -0.072 115.688 115.700 0.100 0.000 2.428 400 S HA 0.412 4.882 4.470 -0.000 0.000 0.230 400 S C 1.745 176.474 174.600 0.215 0.000 1.014 400 S CA 1.673 59.961 58.200 0.146 0.000 0.957 400 S CB -0.381 62.926 63.200 0.179 0.000 0.784 400 S HN 2.413 nan 8.310 nan 0.000 0.499 401 A N 2.768 125.782 122.820 0.323 0.000 2.598 401 A HA 0.186 4.506 4.320 -0.000 0.000 0.239 401 A C 0.587 178.294 177.584 0.204 0.000 1.032 401 A CA 0.045 52.293 52.037 0.351 0.000 0.760 401 A CB -0.205 18.999 19.000 0.339 0.000 0.946 401 A HN 0.733 nan 8.150 nan 0.000 0.512 402 E N 2.246 122.573 120.200 0.211 0.000 2.254 402 E HA 0.638 4.988 4.350 -0.000 0.000 0.261 402 E C -0.686 176.029 176.600 0.192 0.000 1.051 402 E CA -1.053 55.438 56.400 0.152 0.000 0.902 402 E CB 0.916 30.694 29.700 0.128 0.000 1.168 402 E HN 0.642 nan 8.360 nan 0.000 0.423 403 K N -0.087 120.416 120.400 0.172 0.000 2.385 403 K HA 0.583 4.903 4.320 -0.000 0.000 0.248 403 K C -0.746 175.976 176.600 0.205 0.000 0.955 403 K CA -1.094 55.345 56.287 0.254 0.000 0.816 403 K CB 2.198 34.898 32.500 0.334 0.000 1.250 403 K HN 0.469 nan 8.250 nan 0.000 0.434 404 V N -1.868 118.191 119.914 0.242 0.000 2.680 404 V HA 0.511 4.631 4.120 -0.000 0.000 0.309 404 V C -0.498 175.716 176.094 0.200 0.000 1.052 404 V CA -1.081 61.334 62.300 0.192 0.000 0.908 404 V CB 1.605 33.541 31.823 0.189 0.000 1.001 404 V HN 0.866 nan 8.190 nan 0.000 0.431 405 K N 3.198 123.667 120.400 0.114 0.000 2.205 405 K HA 0.430 4.750 4.320 -0.000 0.000 0.279 405 K C 0.250 176.768 176.600 -0.137 0.000 1.027 405 K CA -0.622 55.685 56.287 0.034 0.000 0.932 405 K CB 0.884 33.389 32.500 0.009 0.000 1.032 405 K HN 0.822 nan 8.250 nan 0.000 0.466 406 R N 3.034 123.347 120.500 -0.313 0.000 2.583 406 R HA -0.111 4.229 4.340 -0.000 0.000 0.274 406 R C -0.026 175.819 176.300 -0.760 0.000 0.998 406 R CA 0.744 56.296 56.100 -0.913 0.000 1.081 406 R CB 0.028 29.956 30.300 -0.620 0.000 0.940 406 R HN 0.917 nan 8.270 nan 0.000 0.413 407 N N 0.240 118.260 118.700 -1.134 0.000 2.782 407 N HA -0.174 4.566 4.740 -0.000 0.000 0.251 407 N C -0.686 174.794 175.510 -0.050 0.000 1.101 407 N CA 1.383 54.198 53.050 -0.391 0.000 0.764 407 N CB -0.662 37.701 38.487 -0.206 0.000 1.122 407 N HN 0.701 nan 8.380 nan 0.000 0.561 408 S N -1.516 114.152 115.700 -0.053 0.000 2.722 408 S HA 0.781 5.251 4.470 -0.000 0.000 0.292 408 S C 1.499 176.242 174.600 0.239 0.000 1.135 408 S CA -0.107 58.153 58.200 0.101 0.000 1.003 408 S CB 2.112 65.347 63.200 0.059 0.000 1.067 408 S HN 0.222 nan 8.310 nan 0.000 0.546 409 A N 0.807 123.759 122.820 0.220 0.000 1.917 409 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 409 A C 1.892 179.610 177.584 0.224 0.000 1.182 409 A CA 2.076 54.261 52.037 0.245 0.000 0.633 409 A CB -1.297 17.799 19.000 0.160 0.000 0.819 409 A HN 0.897 nan 8.150 nan 0.000 0.448 410 E N -1.801 118.497 120.200 0.163 0.000 2.204 410 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 410 E C 1.675 178.353 176.600 0.130 0.000 0.989 410 E CA 1.245 57.724 56.400 0.131 0.000 0.824 410 E CB -0.388 29.377 29.700 0.108 0.000 0.756 410 E HN 0.843 nan 8.360 nan 0.000 0.477 411 Y N -0.763 119.516 120.300 -0.036 0.000 2.286 411 Y HA -0.194 4.356 4.550 -0.000 0.000 0.293 411 Y C 1.346 177.148 175.900 -0.162 0.000 1.124 411 Y CA 1.305 59.322 58.100 -0.139 0.000 1.178 411 Y CB -0.112 38.173 38.460 -0.293 0.000 1.010 411 Y HN 0.022 nan 8.280 nan 0.000 0.536 412 Y N 0.629 120.956 120.300 0.046 0.000 2.314 412 Y HA -0.157 4.393 4.550 0.000 0.000 0.293 412 Y C 2.571 178.532 175.900 0.102 0.000 1.129 412 Y CA 1.470 59.512 58.100 -0.096 0.000 1.201 412 Y CB -0.704 37.737 38.460 -0.033 0.000 0.999 412 Y HN 0.192 nan 8.280 nan 0.000 0.541 413 Q N -0.114 119.823 119.800 0.229 0.000 2.002 413 Q HA -0.236 4.104 4.340 -0.000 0.000 0.204 413 Q C 2.625 178.669 176.000 0.073 0.000 0.988 413 Q CA 1.709 57.608 55.803 0.160 0.000 0.843 413 Q CB -0.456 28.352 28.738 0.116 0.000 0.908 413 Q HN 0.510 nan 8.270 nan 0.000 0.420 414 A N 0.027 122.832 122.820 -0.025 0.000 1.892 414 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 414 A C 1.777 179.207 177.584 -0.256 0.000 1.188 414 A CA 1.673 53.613 52.037 -0.162 0.000 0.631 414 A CB -0.966 17.877 19.000 -0.261 0.000 0.822 414 A HN 0.460 nan 8.150 nan 0.000 0.447 415 Y N -0.505 119.634 120.300 -0.268 0.000 2.457 415 Y HA -0.036 4.514 4.550 -0.000 0.000 0.292 415 Y C 3.041 179.003 175.900 0.102 0.000 1.125 415 Y CA 1.128 59.033 58.100 -0.325 0.000 1.254 415 Y CB -0.081 37.920 38.460 -0.765 0.000 1.012 415 Y HN 0.394 nan 8.280 nan 0.000 0.555 416 S N -0.316 115.581 115.700 0.328 0.000 2.395 416 S HA -0.126 4.344 4.470 -0.000 0.000 0.225 416 S C 1.811 176.519 174.600 0.180 0.000 1.027 416 S CA 1.170 59.562 58.200 0.321 0.000 0.965 416 S CB -0.066 63.301 63.200 0.279 0.000 0.812 416 S HN 0.516 nan 8.310 nan 0.000 0.482 417 E N 0.844 121.113 120.200 0.115 0.000 2.170 417 E HA 0.198 4.548 4.350 -0.000 0.000 0.191 417 E C 0.823 177.451 176.600 0.046 0.000 0.981 417 E CA 0.378 56.813 56.400 0.059 0.000 0.830 417 E CB -0.050 29.670 29.700 0.032 0.000 0.775 417 E HN 0.583 nan 8.360 nan 0.000 0.470 418 A N 1.322 124.175 122.820 0.055 0.000 2.498 418 A HA 0.042 4.362 4.320 -0.000 0.000 0.239 418 A C 1.253 178.873 177.584 0.059 0.000 1.068 418 A CA 0.397 52.461 52.037 0.045 0.000 0.766 418 A CB 0.366 19.381 19.000 0.026 0.000 1.003 418 A HN 0.224 nan 8.150 nan 0.000 0.497 419 S N 1.162 116.873 115.700 0.019 0.000 2.528 419 S HA 0.124 4.594 4.470 -0.000 0.000 0.219 419 S C 0.285 174.803 174.600 -0.136 0.000 0.985 419 S CA 0.637 58.822 58.200 -0.025 0.000 0.914 419 S CB -0.224 63.009 63.200 0.055 0.000 0.776 419 S HN 0.787 nan 8.310 nan 0.000 0.526 420 H N -0.491 118.511 119.070 -0.114 0.000 2.877 420 H HA 0.486 5.042 4.556 -0.000 0.000 0.347 420 H C -1.609 173.724 175.328 0.009 0.000 1.042 420 H CA -0.708 55.269 56.048 -0.118 0.000 1.276 420 H CB 0.605 30.272 29.762 -0.158 0.000 1.681 420 H HN 0.226 nan 8.280 nan 0.000 0.521 421 W N 3.389 124.582 121.300 -0.178 0.000 2.391 421 W HA 0.534 5.194 4.660 -0.000 0.000 0.311 421 W C -0.666 175.704 176.519 -0.248 0.000 1.087 421 W CA -0.802 56.362 57.345 -0.300 0.000 1.209 421 W CB 0.896 30.101 29.460 -0.424 0.000 1.273 421 W HN 0.224 nan 8.180 nan 0.000 0.482 422 V N 3.530 123.293 119.914 -0.252 0.000 2.350 422 V HA 0.542 4.662 4.120 -0.000 0.000 0.285 422 V C -0.086 175.900 176.094 -0.180 0.000 1.014 422 V CA -0.493 61.644 62.300 -0.272 0.000 0.831 422 V CB 1.121 32.523 31.823 -0.701 0.000 1.000 422 V HN 0.533 nan 8.190 nan 0.000 0.433 423 S N 3.332 119.035 115.700 0.004 0.000 2.618 423 S HA 0.515 4.985 4.470 -0.000 0.000 0.277 423 S C 0.163 174.737 174.600 -0.044 0.000 1.138 423 S CA -0.506 57.684 58.200 -0.016 0.000 0.844 423 S CB 1.809 65.039 63.200 0.051 0.000 1.127 423 S HN 0.845 nan 8.310 nan 0.000 0.474 424 N N 1.211 119.834 118.700 -0.128 0.000 2.177 424 N HA 0.402 5.142 4.740 -0.000 0.000 0.218 424 N C -0.213 175.177 175.510 -0.200 0.000 1.182 424 N CA 0.129 53.058 53.050 -0.202 0.000 0.882 424 N CB 0.751 39.020 38.487 -0.363 0.000 1.052 424 N HN 0.591 nan 8.380 nan 0.000 0.519 425 A N 0.266 123.037 122.820 -0.081 0.000 2.533 425 A HA 0.668 4.988 4.320 -0.000 0.000 0.293 425 A C -0.795 176.932 177.584 0.239 0.000 1.228 425 A CA -0.844 51.229 52.037 0.060 0.000 0.689 425 A CB 1.098 20.107 19.000 0.016 0.000 1.303 425 A HN 0.091 nan 8.150 nan 0.000 0.444 426 R N 0.450 121.156 120.500 0.343 0.000 2.623 426 R HA 0.385 4.725 4.340 -0.000 0.000 0.271 426 R C 0.042 176.447 176.300 0.174 0.000 1.043 426 R CA 0.867 57.161 56.100 0.324 0.000 1.083 426 R CB 0.346 30.735 30.300 0.148 0.000 0.974 426 R HN 0.798 nan 8.270 nan 0.000 0.436 427 T N 0.945 115.620 114.554 0.202 0.000 2.859 427 T HA 0.440 4.790 4.350 -0.000 0.000 0.281 427 T C -2.415 172.195 174.700 -0.150 0.000 1.005 427 T CA -2.490 59.579 62.100 -0.052 0.000 1.025 427 T CB 1.805 70.535 68.868 -0.230 0.000 0.977 427 T HN 0.229 nan 8.240 nan 0.000 0.458 428 P HA 0.124 nan 4.420 nan 0.000 0.266 428 P C 0.906 177.908 177.300 -0.496 0.000 1.193 428 P CA -0.279 62.486 63.100 -0.558 0.000 0.770 428 P CB 0.451 31.477 31.700 -1.123 0.000 0.836 429 L N 1.765 122.763 121.223 -0.374 0.000 2.156 429 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 429 L C 2.029 178.848 176.870 -0.084 0.000 1.095 429 L CA 1.209 55.950 54.840 -0.164 0.000 0.770 429 L CB -0.871 41.139 42.059 -0.083 0.000 0.914 429 L HN 0.514 nan 8.230 nan 0.000 0.439 430 Y N -0.844 119.482 120.300 0.043 0.000 2.651 430 Y HA 0.056 4.606 4.550 -0.000 0.000 0.296 430 Y C 0.844 176.818 175.900 0.123 0.000 1.150 430 Y CA -0.298 57.850 58.100 0.079 0.000 1.348 430 Y CB -1.252 37.251 38.460 0.072 0.000 0.983 430 Y HN -0.002 nan 8.280 nan 0.000 0.555 431 L N 2.462 123.692 121.223 0.011 0.000 2.305 431 L HA 0.221 4.561 4.340 -0.000 0.000 0.281 431 L C -0.401 176.651 176.870 0.303 0.000 1.085 431 L CA -0.319 54.562 54.840 0.068 0.000 0.813 431 L CB 0.564 42.374 42.059 -0.414 0.000 1.157 431 L HN 0.171 nan 8.230 nan 0.000 0.436 432 N N 3.794 122.797 118.700 0.506 0.000 2.420 432 N HA 0.103 4.843 4.740 -0.000 0.000 0.249 432 N C -0.342 175.415 175.510 0.411 0.000 1.033 432 N CA -0.145 53.125 53.050 0.366 0.000 0.944 432 N CB 1.388 40.006 38.487 0.219 0.000 1.113 432 N HN 0.369 nan 8.380 nan 0.000 0.502 433 K N 3.305 123.843 120.400 0.230 0.000 2.206 433 K HA 0.122 4.442 4.320 -0.000 0.000 0.268 433 K C -0.316 176.187 176.600 -0.162 0.000 1.111 433 K CA -0.304 55.874 56.287 -0.181 0.000 0.955 433 K CB 0.230 32.515 32.500 -0.358 0.000 1.406 433 K HN 0.381 nan 8.250 nan 0.000 0.427 434 K N 1.819 122.141 120.400 -0.130 0.000 2.168 434 K HA 0.008 4.328 4.320 -0.000 0.000 0.258 434 K C 0.887 177.390 176.600 -0.163 0.000 1.010 434 K CA -0.419 55.802 56.287 -0.110 0.000 0.929 434 K CB 0.624 33.082 32.500 -0.070 0.000 0.998 434 K HN 0.303 nan 8.250 nan 0.000 0.479 435 E N 1.063 121.186 120.200 -0.129 0.000 2.219 435 E HA -0.247 4.103 4.350 -0.000 0.000 0.198 435 E C 1.368 177.877 176.600 -0.152 0.000 0.998 435 E CA 1.214 57.533 56.400 -0.135 0.000 0.818 435 E CB -0.132 29.507 29.700 -0.102 0.000 0.741 435 E HN 0.460 nan 8.360 nan 0.000 0.477 436 N N 0.037 118.654 118.700 -0.138 0.000 2.364 436 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 436 N C -0.336 175.060 175.510 -0.190 0.000 1.022 436 N CA 0.700 53.669 53.050 -0.134 0.000 0.883 436 N CB 0.222 38.650 38.487 -0.099 0.000 0.965 436 N HN 0.263 nan 8.380 nan 0.000 0.438 437 Q N -1.282 118.358 119.800 -0.267 0.000 2.345 437 Q HA 0.400 4.740 4.340 -0.000 0.000 0.268 437 Q C -1.035 174.676 176.000 -0.481 0.000 1.054 437 Q CA -0.548 55.016 55.803 -0.399 0.000 0.835 437 Q CB 2.055 30.495 28.738 -0.497 0.000 1.339 437 Q HN -0.091 nan 8.270 nan 0.000 0.447 438 T N 2.165 116.359 114.554 -0.599 0.000 2.821 438 T HA 0.183 4.533 4.350 -0.000 0.000 0.307 438 T C -1.426 173.057 174.700 -0.360 0.000 1.034 438 T CA -0.369 61.419 62.100 -0.520 0.000 0.953 438 T CB 0.014 68.477 68.868 -0.676 0.000 0.968 438 T HN 0.293 nan 8.240 nan 0.000 0.462 439 Y N 5.057 125.111 120.300 -0.410 0.000 2.367 439 Y HA 0.538 5.088 4.550 -0.000 0.000 0.342 439 Y C -0.727 175.132 175.900 -0.069 0.000 0.979 439 Y CA -2.148 55.811 58.100 -0.235 0.000 1.161 439 Y CB 0.094 38.416 38.460 -0.231 0.000 1.155 439 Y HN 0.532 nan 8.280 nan 0.000 0.503 440 I N 6.450 127.262 120.570 0.403 0.000 2.330 440 I HA 0.178 4.348 4.170 -0.000 0.000 0.289 440 I C -0.625 175.485 176.117 -0.012 0.000 1.001 440 I CA -0.789 60.600 61.300 0.148 0.000 1.193 440 I CB 1.551 39.646 38.000 0.159 0.000 1.345 440 I HN 0.482 nan 8.210 nan 0.000 0.461 441 Q N 4.096 123.680 119.800 -0.359 0.000 2.314 441 Q HA 0.266 4.606 4.340 -0.000 0.000 0.259 441 Q C 0.635 176.439 176.000 -0.327 0.000 0.951 441 Q CA -0.421 55.013 55.803 -0.615 0.000 0.909 441 Q CB 1.442 29.155 28.738 -1.709 0.000 1.236 441 Q HN 0.758 nan 8.270 nan 0.000 0.444 442 T N 1.306 115.776 114.554 -0.140 0.000 3.057 442 T HA 0.037 4.387 4.350 -0.000 0.000 0.254 442 T C 0.723 175.513 174.700 0.149 0.000 1.094 442 T CA -0.098 62.023 62.100 0.036 0.000 1.088 442 T CB -0.381 68.550 68.868 0.105 0.000 0.934 442 T HN 0.702 nan 8.240 nan 0.000 0.497 443 W N 2.830 123.954 121.300 -0.295 0.000 2.630 443 W HA -0.318 4.342 4.660 -0.000 0.000 0.194 443 W C -0.248 176.197 176.519 -0.123 0.000 0.646 443 W CA 1.498 58.663 57.345 -0.301 0.000 0.651 443 W CB -0.890 28.378 29.460 -0.320 0.000 1.264 443 W HN 0.642 nan 8.180 nan 0.000 0.367 444 H N 0.554 119.352 119.070 -0.452 0.000 3.074 444 H HA 0.511 5.067 4.556 -0.000 0.000 0.227 444 H C 0.189 175.399 175.328 -0.195 0.000 1.365 444 H CA 0.121 55.922 56.048 -0.411 0.000 1.078 444 H CB -0.100 29.415 29.762 -0.411 0.000 2.347 444 H HN 1.044 nan 8.280 nan 0.000 0.567 445 G N 0.559 109.413 108.800 0.091 0.000 2.316 445 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.468 445 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.468 445 G C -0.932 174.337 174.900 0.616 0.000 1.523 445 G CA -0.883 44.408 45.100 0.320 0.000 0.972 445 G HN 0.157 nan 8.290 nan 0.000 0.667 446 T N 3.565 118.418 114.554 0.498 0.000 2.817 446 T HA 0.449 4.799 4.350 -0.000 0.000 0.295 446 T C -2.029 172.787 174.700 0.192 0.000 0.958 446 T CA 0.075 62.270 62.100 0.160 0.000 1.157 446 T CB 0.888 69.482 68.868 -0.458 0.000 0.898 446 T HN 0.380 nan 8.240 nan 0.000 0.536 447 P HA 0.216 nan 4.420 nan 0.000 0.271 447 P C 0.270 177.818 177.300 0.414 0.000 1.216 447 P CA -0.310 62.986 63.100 0.326 0.000 0.771 447 P CB 0.824 32.628 31.700 0.172 0.000 0.864 448 L N 3.023 124.495 121.223 0.415 0.000 2.515 448 L HA 0.298 4.638 4.340 -0.000 0.000 0.202 448 L C 0.343 177.247 176.870 0.057 0.000 1.056 448 L CA 0.863 55.846 54.840 0.238 0.000 0.847 448 L CB 0.145 42.229 42.059 0.042 0.000 1.131 448 L HN 0.095 nan 8.230 nan 0.000 0.484 449 K N 1.640 122.127 120.400 0.145 0.000 2.249 449 K HA 0.261 4.581 4.320 -0.000 0.000 0.280 449 K C -0.570 176.155 176.600 0.208 0.000 1.033 449 K CA -0.427 55.985 56.287 0.209 0.000 0.946 449 K CB 0.714 33.383 32.500 0.283 0.000 1.005 449 K HN 0.160 nan 8.250 nan 0.000 0.469 450 R N 2.417 122.913 120.500 -0.007 0.000 2.491 450 R HA 0.263 4.603 4.340 -0.000 0.000 0.283 450 R C -0.473 175.881 176.300 0.089 0.000 1.072 450 R CA -0.648 55.377 56.100 -0.126 0.000 1.048 450 R CB -0.239 29.778 30.300 -0.472 0.000 0.983 450 R HN 0.214 nan 8.270 nan 0.000 0.450 451 L N 0.161 121.455 121.223 0.118 0.000 2.309 451 L HA 0.872 5.212 4.340 -0.000 0.000 0.261 451 L C 0.734 177.524 176.870 -0.134 0.000 1.021 451 L CA -1.095 53.799 54.840 0.091 0.000 0.823 451 L CB 0.470 42.656 42.059 0.211 0.000 1.366 451 L HN 0.936 nan 8.230 nan 0.000 0.423 452 A N 1.009 123.789 122.820 -0.066 0.000 5.295 452 A HA -0.388 3.932 4.320 -0.000 0.000 0.313 452 A C 1.571 179.014 177.584 -0.235 0.000 1.912 452 A CA 1.663 53.490 52.037 -0.351 0.000 0.714 452 A CB -2.094 16.295 19.000 -1.017 0.000 1.319 452 A HN 1.079 nan 8.150 nan 0.000 0.375 453 N N 0.312 118.652 118.700 -0.599 0.000 2.223 453 N HA -0.070 4.670 4.740 -0.000 0.000 0.185 453 N C 0.771 176.122 175.510 -0.265 0.000 1.016 453 N CA 1.905 54.659 53.050 -0.492 0.000 0.863 453 N CB -0.427 37.382 38.487 -1.129 0.000 0.983 453 N HN 0.542 nan 8.380 nan 0.000 0.429 454 D N -0.317 119.919 120.400 -0.274 0.000 2.338 454 D HA 0.021 4.661 4.640 -0.000 0.000 0.239 454 D C 0.140 176.383 176.300 -0.095 0.000 1.095 454 D CA 0.268 54.179 54.000 -0.149 0.000 0.888 454 D CB -0.114 40.645 40.800 -0.069 0.000 0.899 454 D HN 0.391 nan 8.370 nan 0.000 0.525 455 M N -0.140 119.424 119.600 -0.061 0.000 2.288 455 M HA 0.146 4.626 4.480 -0.000 0.000 0.334 455 M C 1.301 177.589 176.300 -0.020 0.000 1.150 455 M CA -0.368 54.916 55.300 -0.026 0.000 1.118 455 M CB 1.927 34.539 32.600 0.021 0.000 1.501 455 M HN -0.353 nan 8.290 nan 0.000 0.462 456 K N 1.404 121.785 120.400 -0.031 0.000 2.054 456 K HA 0.214 4.534 4.320 -0.000 0.000 0.207 456 K C -0.318 176.274 176.600 -0.015 0.000 1.031 456 K CA 0.652 56.923 56.287 -0.027 0.000 0.952 456 K CB 0.418 32.892 32.500 -0.044 0.000 0.775 456 K HN 0.478 nan 8.250 nan 0.000 0.447 457 V N 0.517 120.415 119.914 -0.027 0.000 2.789 457 V HA 0.566 4.686 4.120 -0.000 0.000 0.311 457 V C -1.701 174.366 176.094 -0.045 0.000 1.073 457 V CA -0.833 61.452 62.300 -0.025 0.000 0.921 457 V CB 2.173 33.980 31.823 -0.026 0.000 1.009 457 V HN -0.108 nan 8.190 nan 0.000 0.426 458 V N 7.527 127.409 119.914 -0.053 0.000 2.385 458 V HA 0.405 4.525 4.120 -0.000 0.000 0.277 458 V C 0.562 176.616 176.094 -0.066 0.000 1.012 458 V CA -0.494 61.744 62.300 -0.104 0.000 0.832 458 V CB 1.315 32.989 31.823 -0.248 0.000 1.028 458 V HN 0.955 nan 8.190 nan 0.000 0.436 459 R N 2.657 123.132 120.500 -0.042 0.000 2.788 459 R HA 0.304 4.644 4.340 -0.000 0.000 0.264 459 R C 0.110 176.405 176.300 -0.008 0.000 1.267 459 R CA -0.542 55.548 56.100 -0.016 0.000 1.213 459 R CB -0.044 30.250 30.300 -0.010 0.000 1.256 459 R HN 0.417 nan 8.270 nan 0.000 0.556 460 M N 3.530 123.116 119.600 -0.023 0.000 2.303 460 M HA 0.127 4.607 4.480 -0.000 0.000 0.350 460 M C -1.925 174.393 176.300 0.030 0.000 1.518 460 M CA -2.992 52.309 55.300 0.002 0.000 1.070 460 M CB 0.413 33.001 32.600 -0.019 0.000 1.910 460 M HN 0.153 nan 8.290 nan 0.000 0.458 461 P HA 0.056 nan 4.420 nan 0.000 0.264 461 P C 0.906 178.238 177.300 0.054 0.000 1.179 461 P CA 0.997 64.123 63.100 0.042 0.000 0.763 461 P CB 0.409 32.134 31.700 0.042 0.000 0.806 462 G N 1.053 109.883 108.800 0.051 0.000 2.347 462 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.247 462 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.247 462 G C 0.395 175.336 174.900 0.068 0.000 1.037 462 G CA 0.711 45.845 45.100 0.057 0.000 0.622 462 G HN 0.878 nan 8.290 nan 0.000 0.521 463 T N 0.632 115.234 114.554 0.080 0.000 2.908 463 T HA 0.656 5.006 4.350 -0.000 0.000 0.290 463 T C 0.331 175.086 174.700 0.092 0.000 1.034 463 T CA 0.773 62.936 62.100 0.104 0.000 1.010 463 T CB 1.501 70.466 68.868 0.163 0.000 1.068 463 T HN 1.000 nan 8.240 nan 0.000 0.481 464 T N 0.598 115.215 114.554 0.105 0.000 2.929 464 T HA 0.351 4.701 4.350 -0.000 0.000 0.284 464 T C 1.499 176.276 174.700 0.128 0.000 1.014 464 T CA -0.470 61.684 62.100 0.091 0.000 1.051 464 T CB 1.052 69.966 68.868 0.077 0.000 1.028 464 T HN 0.464 nan 8.240 nan 0.000 0.485 465 T N 2.896 117.509 114.554 0.098 0.000 2.699 465 T HA -0.038 4.312 4.350 -0.000 0.000 0.268 465 T C -0.919 173.900 174.700 0.198 0.000 1.036 465 T CA 1.890 64.068 62.100 0.130 0.000 1.147 465 T CB -1.204 67.711 68.868 0.079 0.000 0.862 465 T HN 0.603 nan 8.240 nan 0.000 0.446 466 P HA 0.048 nan 4.420 nan 0.000 0.218 466 P C 1.324 178.711 177.300 0.145 0.000 1.152 466 P CA 0.992 64.174 63.100 0.138 0.000 0.826 466 P CB 0.023 31.777 31.700 0.089 0.000 0.790 467 K N -1.514 118.971 120.400 0.141 0.000 2.288 467 K HA -0.155 4.165 4.320 -0.000 0.000 0.201 467 K C 2.050 178.755 176.600 0.175 0.000 1.048 467 K CA 0.838 57.199 56.287 0.124 0.000 0.956 467 K CB -0.459 32.103 32.500 0.104 0.000 0.746 467 K HN 0.072 nan 8.250 nan 0.000 0.461 468 Y N 0.774 121.145 120.300 0.119 0.000 2.201 468 Y HA -0.030 4.520 4.550 -0.000 0.000 0.292 468 Y C 1.547 177.596 175.900 0.249 0.000 1.119 468 Y CA 1.285 59.489 58.100 0.172 0.000 1.127 468 Y CB 0.180 38.750 38.460 0.183 0.000 1.019 468 Y HN -0.130 nan 8.280 nan 0.000 0.514 469 K N 0.410 121.062 120.400 0.419 0.000 2.103 469 K HA -0.258 4.062 4.320 -0.000 0.000 0.207 469 K C 2.250 178.933 176.600 0.137 0.000 1.048 469 K CA 1.758 58.276 56.287 0.386 0.000 0.930 469 K CB -0.296 32.464 32.500 0.433 0.000 0.716 469 K HN 0.327 nan 8.250 nan 0.000 0.444 470 R N 1.378 121.908 120.500 0.049 0.000 2.080 470 R HA -0.142 4.198 4.340 -0.000 0.000 0.236 470 R C 1.888 178.103 176.300 -0.142 0.000 1.137 470 R CA 1.808 57.853 56.100 -0.091 0.000 0.943 470 R CB -0.126 30.149 30.300 -0.041 0.000 0.846 470 R HN 0.127 nan 8.270 nan 0.000 0.431 471 N N -0.270 118.380 118.700 -0.083 0.000 2.244 471 N HA -0.155 4.585 4.740 -0.000 0.000 0.183 471 N C 1.396 176.820 175.510 -0.144 0.000 1.016 471 N CA 0.969 53.949 53.050 -0.116 0.000 0.866 471 N CB -0.294 38.135 38.487 -0.098 0.000 0.980 471 N HN 0.182 nan 8.380 nan 0.000 0.430 472 F N 1.873 121.666 119.950 -0.262 0.000 2.163 472 F HA -0.018 4.509 4.527 -0.000 0.000 0.297 472 F C 2.150 177.788 175.800 -0.270 0.000 1.094 472 F CA 0.767 58.656 58.000 -0.185 0.000 1.290 472 F CB -0.573 38.407 39.000 -0.035 0.000 1.017 472 F HN 0.002 nan 8.300 nan 0.000 0.483 473 N N 0.468 118.957 118.700 -0.351 0.000 2.223 473 N HA -0.171 4.569 4.740 -0.000 0.000 0.185 473 N C 1.935 177.132 175.510 -0.523 0.000 1.016 473 N CA 1.242 53.694 53.050 -0.996 0.000 0.863 473 N CB -0.156 37.289 38.487 -1.736 0.000 0.983 473 N HN 0.229 nan 8.380 nan 0.000 0.429 474 R N -0.199 120.091 120.500 -0.349 0.000 2.075 474 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 474 R C 1.899 178.048 176.300 -0.250 0.000 1.126 474 R CA 1.426 57.372 56.100 -0.256 0.000 0.963 474 R CB -0.201 29.994 30.300 -0.176 0.000 0.858 474 R HN 0.311 nan 8.270 nan 0.000 0.435 475 E N 0.344 120.386 120.200 -0.264 0.000 2.047 475 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 475 E C 1.840 178.016 176.600 -0.707 0.000 0.987 475 E CA 2.161 58.374 56.400 -0.312 0.000 0.799 475 E CB -0.195 29.341 29.700 -0.274 0.000 0.752 475 E HN 0.325 nan 8.360 nan 0.000 0.449 476 T N -1.628 112.410 114.554 -0.860 0.000 2.915 476 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 476 T C 2.016 176.285 174.700 -0.718 0.000 1.071 476 T CA 1.434 62.709 62.100 -1.376 0.000 1.132 476 T CB -0.837 67.524 68.868 -0.844 0.000 0.878 476 T HN 0.197 nan 8.240 nan 0.000 0.479 477 S N 1.830 117.268 115.700 -0.436 0.000 2.500 477 S HA -0.076 4.394 4.470 -0.000 0.000 0.239 477 S C 1.863 176.327 174.600 -0.227 0.000 0.989 477 S CA 0.312 58.347 58.200 -0.275 0.000 0.951 477 S CB -0.552 62.504 63.200 -0.240 0.000 0.759 477 S HN 0.762 nan 8.310 nan 0.000 0.523 478 R N -0.925 119.419 120.500 -0.260 0.000 2.397 478 R HA 0.202 4.542 4.340 -0.000 0.000 0.241 478 R C -0.678 175.585 176.300 -0.062 0.000 0.914 478 R CA -0.389 55.645 56.100 -0.110 0.000 1.071 478 R CB 0.086 30.407 30.300 0.035 0.000 1.116 478 R HN 0.380 nan 8.270 nan 0.000 0.524 479 W N 2.668 123.746 121.300 -0.370 0.000 2.481 479 W HA 0.156 4.816 4.660 -0.000 0.000 0.320 479 W C 0.546 176.847 176.519 -0.364 0.000 1.209 479 W CA -1.371 55.657 57.345 -0.528 0.000 1.400 479 W CB 0.038 29.195 29.460 -0.505 0.000 1.361 479 W HN 0.037 nan 8.180 nan 0.000 0.456 480 D N 1.538 121.836 120.400 -0.170 0.000 2.123 480 D HA -0.145 4.495 4.640 -0.000 0.000 0.200 480 D C -0.183 175.806 176.300 -0.520 0.000 0.976 480 D CA 1.682 55.457 54.000 -0.374 0.000 0.831 480 D CB 0.237 40.758 40.800 -0.466 0.000 0.974 480 D HN 0.183 nan 8.370 nan 0.000 0.469 481 Y N -0.440 119.825 120.300 -0.059 0.000 2.425 481 Y HA 0.458 5.008 4.550 -0.000 0.000 0.344 481 Y C -0.343 175.488 175.900 -0.115 0.000 0.969 481 Y CA -1.185 56.885 58.100 -0.051 0.000 1.052 481 Y CB 1.860 40.300 38.460 -0.033 0.000 1.215 481 Y HN -0.250 nan 8.280 nan 0.000 0.451 482 L N 4.229 125.495 121.223 0.073 0.000 2.381 482 L HA 0.667 5.007 4.340 -0.000 0.000 0.274 482 L C -1.191 175.655 176.870 -0.039 0.000 0.988 482 L CA -0.624 54.158 54.840 -0.096 0.000 0.824 482 L CB 1.004 43.016 42.059 -0.079 0.000 1.263 482 L HN 0.601 nan 8.230 nan 0.000 0.410 483 I N 3.014 123.543 120.570 -0.067 0.000 2.662 483 I HA 0.463 4.633 4.170 -0.000 0.000 0.291 483 I C 0.176 176.304 176.117 0.018 0.000 1.046 483 I CA -0.182 61.116 61.300 -0.003 0.000 1.361 483 I CB 1.685 39.705 38.000 0.033 0.000 1.429 483 I HN 0.745 nan 8.210 nan 0.000 0.558 484 S N 5.153 120.849 115.700 -0.006 0.000 2.548 484 S HA 0.507 4.977 4.470 -0.000 0.000 0.276 484 S C -2.331 172.164 174.600 -0.175 0.000 1.129 484 S CA -1.240 56.995 58.200 0.058 0.000 0.931 484 S CB 1.955 65.265 63.200 0.184 0.000 1.068 484 S HN 0.288 nan 8.310 nan 0.000 0.480 485 P HA 0.219 nan 4.420 nan 0.000 0.239 485 P C -0.716 176.488 177.300 -0.161 0.000 1.188 485 P CA 0.509 63.419 63.100 -0.317 0.000 0.794 485 P CB -0.130 31.380 31.700 -0.318 0.000 0.937 486 N N -3.301 115.332 118.700 -0.111 0.000 2.961 486 N HA 0.268 5.008 4.740 -0.000 0.000 0.245 486 N C 0.269 175.733 175.510 -0.076 0.000 1.404 486 N CA -0.905 52.093 53.050 -0.087 0.000 0.880 486 N CB 0.396 38.859 38.487 -0.041 0.000 1.461 486 N HN -0.445 nan 8.380 nan 0.000 0.510 487 R N -0.115 120.339 120.500 -0.075 0.000 2.127 487 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 487 R C 1.455 177.703 176.300 -0.086 0.000 1.134 487 R CA 1.614 57.667 56.100 -0.078 0.000 0.975 487 R CB -0.961 29.294 30.300 -0.075 0.000 0.865 487 R HN 0.752 nan 8.270 nan 0.000 0.447 488 Y N -0.100 120.091 120.300 -0.180 0.000 2.224 488 Y HA -0.125 4.425 4.550 -0.000 0.000 0.289 488 Y C 1.931 177.618 175.900 -0.354 0.000 1.146 488 Y CA 2.031 60.018 58.100 -0.188 0.000 1.182 488 Y CB -0.189 38.252 38.460 -0.033 0.000 0.983 488 Y HN 0.085 nan 8.280 nan 0.000 0.524 489 S N -0.567 114.914 115.700 -0.365 0.000 2.348 489 S HA -0.136 4.334 4.470 -0.000 0.000 0.219 489 S C 1.873 175.929 174.600 -0.907 0.000 1.033 489 S CA 1.416 59.116 58.200 -0.833 0.000 0.974 489 S CB -0.607 62.238 63.200 -0.592 0.000 0.868 489 S HN 0.560 nan 8.310 nan 0.000 0.459 490 T N 2.093 116.422 114.554 -0.375 0.000 2.620 490 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 490 T C 1.761 176.323 174.700 -0.229 0.000 1.044 490 T CA 1.947 63.962 62.100 -0.142 0.000 1.161 490 T CB -0.538 68.294 68.868 -0.058 0.000 0.862 490 T HN 0.404 nan 8.240 nan 0.000 0.438 491 E N 0.417 120.442 120.200 -0.291 0.000 2.108 491 E HA -0.157 4.193 4.350 -0.000 0.000 0.203 491 E C 1.996 178.359 176.600 -0.395 0.000 1.022 491 E CA 1.433 57.655 56.400 -0.296 0.000 0.823 491 E CB -0.345 29.166 29.700 -0.316 0.000 0.744 491 E HN 0.565 nan 8.360 nan 0.000 0.456 492 I N -0.567 119.608 120.570 -0.658 0.000 2.500 492 I HA -0.157 4.013 4.170 -0.000 0.000 0.252 492 I C 1.520 177.299 176.117 -0.562 0.000 1.142 492 I CA 0.259 61.083 61.300 -0.794 0.000 1.451 492 I CB -0.155 37.046 38.000 -1.331 0.000 1.093 492 I HN 0.096 nan 8.210 nan 0.000 0.430 493 F N 1.107 120.838 119.950 -0.364 0.000 2.084 493 F HA -0.118 4.409 4.527 -0.000 0.000 0.296 493 F C 2.664 178.358 175.800 -0.177 0.000 1.111 493 F CA 1.095 58.955 58.000 -0.233 0.000 1.224 493 F CB -1.163 37.833 39.000 -0.007 0.000 0.991 493 F HN -0.048 nan 8.300 nan 0.000 0.471 494 R N -0.001 120.526 120.500 0.046 0.000 2.204 494 R HA -0.216 4.124 4.340 -0.000 0.000 0.253 494 R C 2.232 178.480 176.300 -0.086 0.000 1.172 494 R CA 1.818 57.916 56.100 -0.003 0.000 0.994 494 R CB -0.299 29.983 30.300 -0.031 0.000 0.874 494 R HN 0.324 nan 8.270 nan 0.000 0.462 495 S N -1.726 113.861 115.700 -0.189 0.000 2.566 495 S HA 0.207 4.677 4.470 -0.000 0.000 0.234 495 S C 1.758 176.068 174.600 -0.484 0.000 1.075 495 S CA 0.169 58.204 58.200 -0.275 0.000 0.926 495 S CB 0.230 63.289 63.200 -0.235 0.000 0.811 495 S HN 0.431 nan 8.310 nan 0.000 0.518 496 A N -0.043 122.467 122.820 -0.517 0.000 2.021 496 A HA 0.406 4.726 4.320 -0.000 0.000 0.216 496 A C 1.302 178.285 177.584 -1.002 0.000 1.163 496 A CA 0.469 52.054 52.037 -0.754 0.000 0.676 496 A CB -0.534 18.033 19.000 -0.720 0.000 0.818 496 A HN 0.637 nan 8.150 nan 0.000 0.453 497 F N -2.166 117.487 119.950 -0.496 0.000 2.654 497 F HA 0.164 4.691 4.527 -0.000 0.000 0.303 497 F C -0.245 175.556 175.800 0.002 0.000 1.099 497 F CA -0.682 57.108 58.000 -0.351 0.000 1.270 497 F CB 0.314 39.195 39.000 -0.197 0.000 1.024 497 F HN 0.296 nan 8.300 nan 0.000 0.548 498 W N 1.153 122.441 121.300 -0.019 0.000 6.562 498 W HA -0.236 4.424 4.660 0.000 0.000 0.418 498 W C -0.519 175.979 176.519 -0.034 0.000 1.645 498 W CA 0.018 57.337 57.345 -0.044 0.000 1.086 498 W CB -1.792 27.623 29.460 -0.075 0.000 2.865 498 W HN -0.040 nan 8.180 nan 0.000 1.517 499 M N 0.119 119.810 119.600 0.151 0.000 2.472 499 M HA 0.265 4.745 4.480 -0.000 0.000 0.331 499 M C 0.634 176.980 176.300 0.077 0.000 1.170 499 M CA -0.404 54.968 55.300 0.120 0.000 1.009 499 M CB 0.987 33.682 32.600 0.159 0.000 1.672 499 M HN -0.143 nan 8.290 nan 0.000 0.453 500 D N 1.593 122.026 120.400 0.055 0.000 2.350 500 D HA 0.039 4.679 4.640 -0.000 0.000 0.249 500 D C 0.849 177.176 176.300 0.045 0.000 1.119 500 D CA 0.080 54.102 54.000 0.036 0.000 0.886 500 D CB 1.092 41.902 40.800 0.016 0.000 1.195 500 D HN 0.652 nan 8.370 nan 0.000 0.437 501 E N 1.642 121.863 120.200 0.034 0.000 2.265 501 E HA -0.182 4.168 4.350 -0.000 0.000 0.196 501 E C 0.806 177.433 176.600 0.045 0.000 0.996 501 E CA 1.109 57.532 56.400 0.037 0.000 0.832 501 E CB 0.233 29.943 29.700 0.017 0.000 0.756 501 E HN 0.451 nan 8.360 nan 0.000 0.491 502 E N -0.029 120.195 120.200 0.040 0.000 2.208 502 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 502 E C 1.856 178.502 176.600 0.077 0.000 0.988 502 E CA 0.546 56.974 56.400 0.048 0.000 0.828 502 E CB 0.046 29.763 29.700 0.028 0.000 0.763 502 E HN 0.216 nan 8.360 nan 0.000 0.478 503 R N 0.307 120.848 120.500 0.068 0.000 2.300 503 R HA 0.202 4.542 4.340 -0.000 0.000 0.199 503 R C 0.437 176.829 176.300 0.153 0.000 0.920 503 R CA -0.025 56.128 56.100 0.087 0.000 1.046 503 R CB 0.376 30.681 30.300 0.009 0.000 0.984 503 R HN 0.074 nan 8.270 nan 0.000 0.493 504 I N 2.341 122.985 120.570 0.124 0.000 2.342 504 I HA 0.132 4.302 4.170 -0.000 0.000 0.291 504 I C -0.224 175.958 176.117 0.109 0.000 1.010 504 I CA -0.343 61.028 61.300 0.118 0.000 1.308 504 I CB 1.184 39.253 38.000 0.115 0.000 1.400 504 I HN -0.107 nan 8.210 nan 0.000 0.488 505 L N 6.794 128.078 121.223 0.100 0.000 2.264 505 L HA 0.387 4.727 4.340 -0.000 0.000 0.287 505 L C 0.217 177.082 176.870 -0.008 0.000 1.039 505 L CA -0.440 54.440 54.840 0.065 0.000 0.829 505 L CB 0.396 42.530 42.059 0.124 0.000 1.211 505 L HN 0.573 nan 8.230 nan 0.000 0.427 506 E N 4.676 124.847 120.200 -0.048 0.000 1.858 506 E HA 0.114 4.464 4.350 -0.000 0.000 0.267 506 E C 0.703 177.207 176.600 -0.160 0.000 1.215 506 E CA 0.033 56.380 56.400 -0.089 0.000 0.952 506 E CB 0.460 30.112 29.700 -0.080 0.000 1.058 506 E HN 0.684 nan 8.360 nan 0.000 0.407 507 I N -0.834 119.633 120.570 -0.172 0.000 4.442 507 I HA 0.382 4.552 4.170 -0.000 0.000 0.331 507 I C 0.707 176.727 176.117 -0.161 0.000 1.364 507 I CA -0.399 60.771 61.300 -0.216 0.000 1.207 507 I CB 0.603 38.444 38.000 -0.265 0.000 1.298 507 I HN 0.457 nan 8.210 nan 0.000 0.463 508 G N 1.601 110.288 108.800 -0.188 0.000 2.795 508 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.664 508 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.664 508 G C -1.198 173.601 174.900 -0.169 0.000 1.381 508 G CA -0.629 44.348 45.100 -0.206 0.000 0.853 508 G HN 0.210 nan 8.290 nan 0.000 0.545 509 Y N 1.045 121.373 120.300 0.046 0.000 2.336 509 Y HA 0.432 4.982 4.550 -0.000 0.000 0.335 509 Y C -0.785 175.130 175.900 0.026 0.000 1.046 509 Y CA -1.512 56.623 58.100 0.057 0.000 1.198 509 Y CB 1.398 39.910 38.460 0.086 0.000 1.182 509 Y HN 0.255 nan 8.280 nan 0.000 0.502 510 P HA -0.226 nan 4.420 nan 0.000 0.217 510 P C 1.022 178.314 177.300 -0.012 0.000 1.148 510 P CA 1.961 65.142 63.100 0.135 0.000 0.828 510 P CB 0.240 32.060 31.700 0.200 0.000 0.783 511 R N -1.467 119.006 120.500 -0.044 0.000 2.235 511 R HA 0.067 4.407 4.340 -0.000 0.000 0.213 511 R C 1.467 177.586 176.300 -0.300 0.000 1.059 511 R CA 1.141 57.015 56.100 -0.377 0.000 0.997 511 R CB -1.134 29.094 30.300 -0.120 0.000 0.884 511 R HN 0.107 nan 8.270 nan 0.000 0.462 512 N N 0.772 119.456 118.700 -0.028 0.000 2.353 512 N HA -0.041 4.699 4.740 -0.000 0.000 0.185 512 N C 0.228 175.756 175.510 0.030 0.000 1.098 512 N CA 0.523 53.609 53.050 0.061 0.000 0.872 512 N CB 0.074 38.667 38.487 0.177 0.000 0.970 512 N HN 0.211 nan 8.380 nan 0.000 0.467 513 D N 0.464 120.850 120.400 -0.024 0.000 2.133 513 D HA -0.150 4.490 4.640 -0.000 0.000 0.192 513 D C 1.964 178.301 176.300 0.062 0.000 1.001 513 D CA 1.136 55.153 54.000 0.029 0.000 0.844 513 D CB -0.080 40.757 40.800 0.062 0.000 0.944 513 D HN 0.234 nan 8.370 nan 0.000 0.447 514 V N -1.438 118.506 119.914 0.049 0.000 3.217 514 V HA -0.023 4.097 4.120 -0.000 0.000 0.264 514 V C 2.141 178.329 176.094 0.156 0.000 1.135 514 V CA 0.763 63.147 62.300 0.140 0.000 1.142 514 V CB -0.753 31.219 31.823 0.248 0.000 0.754 514 V HN 0.148 nan 8.190 nan 0.000 0.484 515 L N -0.338 120.965 121.223 0.132 0.000 2.217 515 L HA -0.004 4.336 4.340 -0.000 0.000 0.211 515 L C 2.463 179.402 176.870 0.115 0.000 1.107 515 L CA 0.822 55.746 54.840 0.141 0.000 0.783 515 L CB -0.282 41.865 42.059 0.148 0.000 0.919 515 L HN 0.268 nan 8.230 nan 0.000 0.442 516 V N -0.696 119.281 119.914 0.105 0.000 2.492 516 V HA -0.058 4.062 4.120 -0.000 0.000 0.241 516 V C 1.690 177.835 176.094 0.085 0.000 1.041 516 V CA 1.121 63.478 62.300 0.094 0.000 1.057 516 V CB -0.337 31.538 31.823 0.086 0.000 0.711 516 V HN 0.449 nan 8.190 nan 0.000 0.468 517 N N 0.421 119.173 118.700 0.087 0.000 2.461 517 N HA 0.043 4.783 4.740 -0.000 0.000 0.188 517 N C 1.311 176.869 175.510 0.079 0.000 1.134 517 N CA 0.471 53.567 53.050 0.077 0.000 0.878 517 N CB 0.264 38.796 38.487 0.076 0.000 0.972 517 N HN 0.417 nan 8.380 nan 0.000 0.456 518 R N -0.803 119.762 120.500 0.109 0.000 2.582 518 R HA 0.302 4.642 4.340 -0.000 0.000 0.285 518 R C 1.409 177.813 176.300 0.173 0.000 0.940 518 R CA 0.171 56.356 56.100 0.141 0.000 1.072 518 R CB -0.177 30.227 30.300 0.174 0.000 1.527 518 R HN 0.013 nan 8.270 nan 0.000 0.538 519 A N 1.863 124.765 122.820 0.137 0.000 2.042 519 A HA -0.162 4.158 4.320 -0.000 0.000 0.222 519 A C 1.439 179.082 177.584 0.098 0.000 1.167 519 A CA 1.472 53.578 52.037 0.115 0.000 0.649 519 A CB -0.366 18.680 19.000 0.076 0.000 0.809 519 A HN 0.278 nan 8.150 nan 0.000 0.457 520 N N -0.422 118.332 118.700 0.091 0.000 2.214 520 N HA -0.001 4.739 4.740 -0.000 0.000 0.214 520 N C -0.595 174.968 175.510 0.088 0.000 1.132 520 N CA -0.042 53.053 53.050 0.075 0.000 0.856 520 N CB 0.327 38.847 38.487 0.054 0.000 1.020 520 N HN 0.318 nan 8.380 nan 0.000 0.509 521 D N 1.884 122.359 120.400 0.124 0.000 2.470 521 D HA 0.035 4.675 4.640 -0.000 0.000 0.226 521 D C 1.131 177.520 176.300 0.149 0.000 1.196 521 D CA -0.014 54.070 54.000 0.140 0.000 0.979 521 D CB 0.652 41.557 40.800 0.176 0.000 1.059 521 D HN -0.031 nan 8.370 nan 0.000 0.515 522 Q N 1.823 121.684 119.800 0.100 0.000 2.291 522 Q HA -0.150 4.190 4.340 -0.000 0.000 0.206 522 Q C 1.332 177.384 176.000 0.086 0.000 0.976 522 Q CA 0.780 56.631 55.803 0.080 0.000 0.875 522 Q CB 0.312 29.084 28.738 0.056 0.000 0.927 522 Q HN 0.680 nan 8.270 nan 0.000 0.450 523 E N -0.762 119.504 120.200 0.110 0.000 2.086 523 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 523 E C 1.634 178.331 176.600 0.162 0.000 0.975 523 E CA 0.168 56.635 56.400 0.111 0.000 0.813 523 E CB 0.042 29.803 29.700 0.101 0.000 0.768 523 E HN 0.239 nan 8.360 nan 0.000 0.457 524 Y N 1.869 122.204 120.300 0.058 0.000 2.089 524 Y HA -0.216 4.334 4.550 -0.000 0.000 0.282 524 Y C 2.090 178.036 175.900 0.076 0.000 1.139 524 Y CA 1.547 59.690 58.100 0.072 0.000 1.123 524 Y CB -0.643 37.865 38.460 0.080 0.000 0.980 524 Y HN 0.001 nan 8.280 nan 0.000 0.493 525 L N -0.021 121.205 121.223 0.004 0.000 2.137 525 L HA -0.312 4.028 4.340 -0.000 0.000 0.213 525 L C 2.057 178.888 176.870 -0.066 0.000 1.085 525 L CA 1.777 56.567 54.840 -0.082 0.000 0.760 525 L CB -0.663 41.403 42.059 0.012 0.000 0.893 525 L HN 0.263 nan 8.230 nan 0.000 0.434 526 D N -0.309 120.089 120.400 -0.004 0.000 2.123 526 D HA -0.141 4.499 4.640 -0.000 0.000 0.200 526 D C 2.113 178.420 176.300 0.012 0.000 0.976 526 D CA 0.895 54.901 54.000 0.010 0.000 0.831 526 D CB 0.024 40.844 40.800 0.033 0.000 0.974 526 D HN 0.336 nan 8.370 nan 0.000 0.469 527 E N 0.274 120.489 120.200 0.025 0.000 2.033 527 E HA -0.174 4.176 4.350 -0.000 0.000 0.199 527 E C 2.332 178.965 176.600 0.056 0.000 1.011 527 E CA 0.770 57.204 56.400 0.056 0.000 0.815 527 E CB -0.139 29.623 29.700 0.104 0.000 0.755 527 E HN 0.281 nan 8.360 nan 0.000 0.451 528 I N 0.693 121.227 120.570 -0.060 0.000 2.194 528 I HA -0.338 3.832 4.170 -0.000 0.000 0.246 528 I C 2.552 178.644 176.117 -0.043 0.000 1.093 528 I CA 1.354 62.606 61.300 -0.079 0.000 1.355 528 I CB -0.263 37.593 38.000 -0.239 0.000 1.046 528 I HN 0.069 nan 8.210 nan 0.000 0.413 529 R N 0.175 120.649 120.500 -0.044 0.000 2.066 529 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 529 R C 2.416 178.722 176.300 0.010 0.000 1.131 529 R CA 2.075 58.156 56.100 -0.031 0.000 0.955 529 R CB -0.702 29.583 30.300 -0.025 0.000 0.851 529 R HN 0.503 nan 8.270 nan 0.000 0.432 530 T N -2.610 111.966 114.554 0.036 0.000 3.023 530 T HA -0.129 4.221 4.350 -0.000 0.000 0.266 530 T C 1.691 176.445 174.700 0.090 0.000 1.093 530 T CA 1.075 63.203 62.100 0.046 0.000 1.129 530 T CB -0.360 68.526 68.868 0.030 0.000 0.899 530 T HN 0.417 nan 8.240 nan 0.000 0.491 531 H N 0.970 120.044 119.070 0.007 0.000 2.390 531 H HA 0.061 4.617 4.556 -0.000 0.000 0.298 531 H C 1.588 176.932 175.328 0.027 0.000 1.106 531 H CA 1.255 57.323 56.048 0.035 0.000 1.297 531 H CB -0.218 29.589 29.762 0.075 0.000 1.375 531 H HN 0.316 nan 8.280 nan 0.000 0.509 532 L N 0.397 121.726 121.223 0.176 0.000 2.611 532 L HA 0.027 4.367 4.340 -0.000 0.000 0.229 532 L C 0.160 177.051 176.870 0.035 0.000 1.137 532 L CA -0.017 54.859 54.840 0.059 0.000 0.901 532 L CB 0.099 42.103 42.059 -0.091 0.000 1.098 532 L HN 0.401 nan 8.230 nan 0.000 0.456 533 N N 0.882 119.609 118.700 0.046 0.000 2.727 533 N HA -0.181 4.559 4.740 -0.000 0.000 0.249 533 N C -0.246 175.273 175.510 0.014 0.000 1.048 533 N CA 0.673 53.739 53.050 0.027 0.000 0.714 533 N CB -1.444 37.060 38.487 0.028 0.000 0.959 533 N HN 0.339 nan 8.380 nan 0.000 0.544 534 L N 0.506 121.731 121.223 0.004 0.000 2.395 534 L HA 0.345 4.685 4.340 -0.000 0.000 0.269 534 L C -1.316 175.560 176.870 0.010 0.000 1.133 534 L CA -1.459 53.381 54.840 -0.001 0.000 0.812 534 L CB 0.007 42.054 42.059 -0.019 0.000 1.125 534 L HN -0.169 nan 8.230 nan 0.000 0.452 535 P HA 0.064 nan 4.420 nan 0.000 0.269 535 P C 0.027 177.333 177.300 0.009 0.000 1.217 535 P CA -0.064 63.049 63.100 0.021 0.000 0.783 535 P CB 0.660 32.382 31.700 0.036 0.000 0.898 536 S N -0.033 115.671 115.700 0.007 0.000 2.456 536 S HA -0.066 4.404 4.470 -0.000 0.000 0.224 536 S C 1.070 175.666 174.600 -0.008 0.000 1.035 536 S CA 0.620 58.820 58.200 0.001 0.000 0.940 536 S CB -0.264 62.938 63.200 0.003 0.000 0.799 536 S HN 0.634 nan 8.310 nan 0.000 0.508 537 D N 1.492 121.887 120.400 -0.008 0.000 2.348 537 D HA 0.029 4.669 4.640 -0.000 0.000 0.211 537 D C 0.196 176.470 176.300 -0.042 0.000 0.998 537 D CA 0.318 54.306 54.000 -0.021 0.000 0.873 537 D CB 0.109 40.900 40.800 -0.015 0.000 0.925 537 D HN 0.288 nan 8.370 nan 0.000 0.524 538 K N 1.242 121.621 120.400 -0.035 0.000 2.156 538 K HA 0.304 4.624 4.320 -0.000 0.000 0.271 538 K C 0.367 176.913 176.600 -0.090 0.000 0.995 538 K CA -0.600 55.650 56.287 -0.062 0.000 0.890 538 K CB 2.231 34.734 32.500 0.005 0.000 1.073 538 K HN -0.122 nan 8.250 nan 0.000 0.454 539 K N 0.969 121.243 120.400 -0.210 0.000 2.118 539 K HA 0.346 4.665 4.320 -0.000 0.000 0.240 539 K C -0.319 176.263 176.600 -0.030 0.000 1.035 539 K CA -0.626 55.549 56.287 -0.187 0.000 0.899 539 K CB 0.927 33.194 32.500 -0.388 0.000 1.085 539 K HN 0.172 nan 8.250 nan 0.000 0.498 540 V N 2.626 122.587 119.914 0.079 0.000 2.531 540 V HA 0.360 4.480 4.120 -0.000 0.000 0.301 540 V C -0.346 175.840 176.094 0.154 0.000 1.034 540 V CA -0.738 61.627 62.300 0.110 0.000 0.865 540 V CB 1.436 33.285 31.823 0.043 0.000 0.995 540 V HN 0.548 nan 8.190 nan 0.000 0.424 541 I N 5.050 125.680 120.570 0.100 0.000 2.460 541 I HA 0.546 4.716 4.170 -0.000 0.000 0.298 541 I C -0.152 175.935 176.117 -0.050 0.000 0.989 541 I CA -0.451 60.845 61.300 -0.007 0.000 1.173 541 I CB 1.797 39.705 38.000 -0.153 0.000 1.338 541 I HN 0.551 nan 8.210 nan 0.000 0.456 542 M N 6.258 125.831 119.600 -0.045 0.000 2.311 542 M HA 0.393 4.873 4.480 -0.000 0.000 0.325 542 M C -1.946 174.362 176.300 0.014 0.000 1.061 542 M CA -0.618 54.666 55.300 -0.027 0.000 0.957 542 M CB 1.665 34.271 32.600 0.009 0.000 1.646 542 M HN 0.540 nan 8.290 nan 0.000 0.434 543 Y N 3.991 124.211 120.300 -0.134 0.000 2.328 543 Y HA 0.703 5.253 4.550 -0.000 0.000 0.337 543 Y C -1.273 174.588 175.900 -0.065 0.000 0.966 543 Y CA -1.398 56.631 58.100 -0.119 0.000 1.136 543 Y CB 1.596 39.977 38.460 -0.132 0.000 1.170 543 Y HN 0.722 nan 8.280 nan 0.000 0.470 544 A N 8.646 131.316 122.820 -0.251 0.000 3.159 544 A HA 0.509 4.829 4.320 -0.000 0.000 0.330 544 A C -3.030 174.364 177.584 -0.318 0.000 1.032 544 A CA -1.488 50.391 52.037 -0.263 0.000 0.841 544 A CB -0.219 18.747 19.000 -0.057 0.000 1.093 544 A HN 0.486 nan 8.150 nan 0.000 0.478 545 P HA 0.259 nan 4.420 nan 0.000 0.276 545 P C 0.778 178.019 177.300 -0.098 0.000 1.243 545 P CA 0.311 63.216 63.100 -0.325 0.000 0.768 545 P CB 0.895 32.367 31.700 -0.379 0.000 0.856 546 T N 0.610 115.162 114.554 -0.004 0.000 2.701 546 T HA 0.038 4.388 4.350 -0.000 0.000 0.303 546 T C -0.014 174.809 174.700 0.206 0.000 1.030 546 T CA -0.788 61.391 62.100 0.131 0.000 1.010 546 T CB 0.523 69.510 68.868 0.199 0.000 1.007 546 T HN 0.431 nan 8.240 nan 0.000 0.532 547 W N 1.010 122.366 121.300 0.095 0.000 2.251 547 W HA 0.475 5.135 4.660 -0.000 0.000 0.329 547 W C -0.662 175.951 176.519 0.156 0.000 1.234 547 W CA -0.996 56.413 57.345 0.107 0.000 1.228 547 W CB 0.676 30.193 29.460 0.094 0.000 1.135 547 W HN 0.692 nan 8.180 nan 0.000 0.576 548 R N 3.767 123.842 120.500 -0.708 0.000 2.502 548 R HA 0.096 4.436 4.340 -0.000 0.000 0.300 548 R C 0.581 176.262 176.300 -1.032 0.000 0.984 548 R CA -0.555 55.209 56.100 -0.560 0.000 0.882 548 R CB 1.635 31.796 30.300 -0.231 0.000 1.180 548 R HN 0.391 nan 8.270 nan 0.000 0.444 549 D N 0.883 120.963 120.400 -0.533 0.000 2.117 549 D HA -0.220 4.420 4.640 -0.000 0.000 0.197 549 D C 1.211 177.423 176.300 -0.146 0.000 0.987 549 D CA 1.211 55.084 54.000 -0.212 0.000 0.829 549 D CB 0.063 40.916 40.800 0.089 0.000 0.961 549 D HN 0.587 nan 8.370 nan 0.000 0.460 550 D N 0.749 121.077 120.400 -0.120 0.000 2.218 550 D HA -0.235 4.405 4.640 -0.000 0.000 0.194 550 D C 1.239 177.506 176.300 -0.054 0.000 1.007 550 D CA 1.230 55.195 54.000 -0.057 0.000 0.879 550 D CB -0.054 40.720 40.800 -0.044 0.000 0.918 550 D HN 0.328 nan 8.370 nan 0.000 0.449 551 E N -1.550 118.558 120.200 -0.153 0.000 2.479 551 E HA 0.031 4.381 4.350 -0.000 0.000 0.193 551 E C -0.081 176.516 176.600 -0.005 0.000 1.049 551 E CA -0.502 55.840 56.400 -0.097 0.000 0.870 551 E CB 0.052 29.673 29.700 -0.132 0.000 0.944 551 E HN 0.291 nan 8.360 nan 0.000 0.492 552 F N 2.216 122.119 119.950 -0.078 0.000 2.445 552 F HA 0.193 4.720 4.527 -0.000 0.000 0.359 552 F C -0.185 175.657 175.800 0.070 0.000 1.101 552 F CA -0.609 57.444 58.000 0.088 0.000 1.177 552 F CB 0.477 39.627 39.000 0.250 0.000 1.110 552 F HN -0.305 nan 8.300 nan 0.000 0.522 553 V N 1.212 120.766 119.914 -0.598 0.000 3.147 553 V HA 0.553 4.673 4.120 -0.000 0.000 0.299 553 V C -0.222 175.567 176.094 -0.507 0.000 1.302 553 V CA -1.411 60.616 62.300 -0.455 0.000 1.015 553 V CB 1.090 32.811 31.823 -0.170 0.000 1.086 553 V HN 0.777 nan 8.190 nan 0.000 0.437 554 S N 1.028 116.533 115.700 -0.324 0.000 3.866 554 S HA -0.117 4.353 4.470 -0.000 0.000 0.427 554 S C 0.118 174.596 174.600 -0.203 0.000 0.891 554 S CA 0.953 59.037 58.200 -0.195 0.000 1.275 554 S CB -1.459 61.667 63.200 -0.123 0.000 0.872 554 S HN 1.513 nan 8.310 nan 0.000 0.562 560 F N 2.295 122.241 119.950 -0.006 0.000 2.396 560 F HA 0.540 5.067 4.527 -0.000 0.000 0.343 560 F C 1.017 176.822 175.800 0.009 0.000 1.104 560 F CA -0.081 57.919 58.000 0.000 0.000 1.161 560 F CB 0.848 39.844 39.000 -0.006 0.000 1.146 560 F HN 0.723 nan 8.300 nan 0.000 0.522 561 E N 5.248 125.084 120.200 -0.606 0.000 2.492 561 E HA -0.026 4.324 4.350 -0.000 0.000 0.266 561 E C -0.462 176.006 176.600 -0.219 0.000 1.047 561 E CA -0.407 55.759 56.400 -0.390 0.000 0.968 561 E CB 0.349 29.772 29.700 -0.462 0.000 0.960 561 E HN 0.602 nan 8.360 nan 0.000 0.452 562 L N 1.748 122.915 121.223 -0.094 0.000 2.559 562 L HA -0.076 4.264 4.340 -0.000 0.000 0.282 562 L C 1.308 178.149 176.870 -0.048 0.000 1.232 562 L CA -0.013 54.817 54.840 -0.017 0.000 0.885 562 L CB -0.140 41.938 42.059 0.031 0.000 1.131 562 L HN 0.565 nan 8.230 nan 0.000 0.498 563 K N 2.209 122.568 120.400 -0.069 0.000 2.519 563 K HA -0.046 4.274 4.320 -0.000 0.000 0.196 563 K C 1.523 178.122 176.600 -0.002 0.000 1.041 563 K CA 0.698 56.920 56.287 -0.107 0.000 0.954 563 K CB -0.157 31.989 32.500 -0.589 0.000 0.774 563 K HN 0.550 nan 8.250 nan 0.000 0.480 564 I N 0.153 120.688 120.570 -0.059 0.000 3.251 564 I HA -0.144 4.026 4.170 -0.000 0.000 0.277 564 I C -0.450 175.422 176.117 -0.408 0.000 1.268 564 I CA 0.393 61.439 61.300 -0.422 0.000 1.449 564 I CB 0.260 37.890 38.000 -0.617 0.000 1.083 564 I HN 0.271 nan 8.210 nan 0.000 0.464 565 D N 0.788 121.054 120.400 -0.223 0.000 3.241 565 D HA -0.192 4.448 4.640 -0.000 0.000 0.248 565 D C 0.855 177.073 176.300 -0.136 0.000 1.093 565 D CA 0.296 54.215 54.000 -0.135 0.000 0.940 565 D CB -1.082 39.675 40.800 -0.071 0.000 0.980 565 D HN 0.292 nan 8.370 nan 0.000 0.421 566 L N 1.087 122.210 121.223 -0.166 0.000 2.043 566 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 566 L C 2.263 179.077 176.870 -0.092 0.000 1.075 566 L CA 1.475 56.169 54.840 -0.244 0.000 0.752 566 L CB -0.259 41.420 42.059 -0.632 0.000 0.891 566 L HN 0.307 nan 8.230 nan 0.000 0.432 567 D N -0.082 120.360 120.400 0.070 0.000 2.133 567 D HA -0.238 4.402 4.640 -0.000 0.000 0.192 567 D C 1.896 178.258 176.300 0.104 0.000 1.001 567 D CA 1.561 55.683 54.000 0.203 0.000 0.844 567 D CB -0.198 40.706 40.800 0.173 0.000 0.944 567 D HN 0.273 nan 8.370 nan 0.000 0.447 568 N N 0.112 118.844 118.700 0.053 0.000 2.084 568 N HA -0.083 4.657 4.740 -0.000 0.000 0.190 568 N C 2.021 177.514 175.510 -0.028 0.000 1.030 568 N CA 0.746 53.817 53.050 0.034 0.000 0.849 568 N CB -0.308 38.248 38.487 0.115 0.000 1.012 568 N HN 0.130 nan 8.380 nan 0.000 0.423 569 L N -0.829 120.369 121.223 -0.042 0.000 2.083 569 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 569 L C 1.966 178.750 176.870 -0.143 0.000 1.083 569 L CA 1.007 55.832 54.840 -0.025 0.000 0.752 569 L CB -0.557 41.548 42.059 0.077 0.000 0.899 569 L HN 0.313 nan 8.230 nan 0.000 0.433 570 Y N 0.924 120.921 120.300 -0.505 0.000 2.242 570 Y HA -0.241 4.309 4.550 -0.000 0.000 0.291 570 Y C 2.621 178.240 175.900 -0.469 0.000 1.137 570 Y CA 1.346 58.881 58.100 -0.941 0.000 1.181 570 Y CB -0.211 37.951 38.460 -0.496 0.000 0.989 570 Y HN 0.037 nan 8.280 nan 0.000 0.527 571 K N -0.177 120.089 120.400 -0.223 0.000 2.025 571 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 571 K C 1.732 178.221 176.600 -0.185 0.000 1.049 571 K CA 1.684 57.842 56.287 -0.215 0.000 0.933 571 K CB 0.043 32.477 32.500 -0.109 0.000 0.714 571 K HN 0.255 nan 8.250 nan 0.000 0.438 572 E N -0.133 119.984 120.200 -0.138 0.000 2.318 572 E HA -0.006 4.344 4.350 -0.000 0.000 0.193 572 E C 1.573 178.134 176.600 -0.066 0.000 0.998 572 E CA 0.613 56.956 56.400 -0.095 0.000 0.859 572 E CB 0.546 30.196 29.700 -0.084 0.000 0.812 572 E HN 0.354 nan 8.360 nan 0.000 0.492 573 L N -1.604 119.577 121.223 -0.070 0.000 3.284 573 L HA 0.288 4.628 4.340 -0.000 0.000 0.294 573 L C 1.995 178.943 176.870 0.130 0.000 1.183 573 L CA 0.318 55.204 54.840 0.076 0.000 1.056 573 L CB 0.125 42.219 42.059 0.059 0.000 1.513 573 L HN -0.002 nan 8.230 nan 0.000 0.601 574 G N 0.418 109.140 108.800 -0.131 0.000 2.549 574 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.222 574 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.222 574 G C 0.927 175.851 174.900 0.041 0.000 1.100 574 G CA 1.138 46.153 45.100 -0.141 0.000 0.739 574 G HN 0.258 nan 8.290 nan 0.000 0.577 575 D N -0.285 120.121 120.400 0.009 0.000 2.346 575 D HA 0.057 4.697 4.640 -0.000 0.000 0.206 575 D C 1.375 177.698 176.300 0.037 0.000 1.001 575 D CA 0.400 54.407 54.000 0.011 0.000 0.871 575 D CB 0.275 41.057 40.800 -0.030 0.000 0.943 575 D HN 0.260 nan 8.370 nan 0.000 0.518 576 D N -1.289 119.159 120.400 0.080 0.000 2.469 576 D HA 0.034 4.674 4.640 -0.000 0.000 0.240 576 D C 0.235 176.453 176.300 -0.136 0.000 1.087 576 D CA 0.179 54.160 54.000 -0.032 0.000 0.876 576 D CB 1.031 41.803 40.800 -0.047 0.000 1.160 576 D HN 0.184 nan 8.370 nan 0.000 0.497 577 Y N 0.008 120.368 120.300 0.101 0.000 2.650 577 Y HA 0.539 5.089 4.550 -0.000 0.000 0.331 577 Y C -0.104 175.892 175.900 0.159 0.000 1.082 577 Y CA -1.001 57.161 58.100 0.105 0.000 1.171 577 Y CB 2.159 40.674 38.460 0.091 0.000 1.326 577 Y HN -0.388 nan 8.280 nan 0.000 0.513 578 V N 2.469 122.517 119.914 0.224 0.000 2.841 578 V HA 0.502 4.622 4.120 -0.000 0.000 0.310 578 V C -1.446 174.554 176.094 -0.156 0.000 1.090 578 V CA -0.953 61.360 62.300 0.023 0.000 0.930 578 V CB 2.191 34.025 31.823 0.019 0.000 1.014 578 V HN 0.642 nan 8.190 nan 0.000 0.425 579 I N 6.232 126.512 120.570 -0.483 0.000 2.389 579 I HA 0.509 4.679 4.170 -0.000 0.000 0.288 579 I C -1.134 174.794 176.117 -0.314 0.000 0.999 579 I CA -0.667 60.381 61.300 -0.420 0.000 1.129 579 I CB 1.229 38.866 38.000 -0.604 0.000 1.288 579 I HN 0.528 nan 8.210 nan 0.000 0.444 580 L N 8.264 129.377 121.223 -0.183 0.000 2.260 580 L HA 0.372 4.712 4.340 -0.000 0.000 0.289 580 L C -0.549 176.263 176.870 -0.096 0.000 1.057 580 L CA -0.551 54.204 54.840 -0.142 0.000 0.811 580 L CB 0.888 42.873 42.059 -0.124 0.000 1.184 580 L HN 0.512 nan 8.230 nan 0.000 0.429 581 L N 5.020 126.188 121.223 -0.093 0.000 2.261 581 L HA 0.413 4.753 4.340 -0.000 0.000 0.289 581 L C 0.290 177.124 176.870 -0.061 0.000 1.059 581 L CA -0.280 54.532 54.840 -0.047 0.000 0.816 581 L CB 0.909 42.943 42.059 -0.041 0.000 1.191 581 L HN 0.589 nan 8.230 nan 0.000 0.431 582 R N 4.955 125.408 120.500 -0.078 0.000 2.287 582 R HA 0.484 4.824 4.340 -0.000 0.000 0.316 582 R C -0.574 175.675 176.300 -0.085 0.000 1.050 582 R CA -0.463 55.594 56.100 -0.073 0.000 0.983 582 R CB 0.583 30.841 30.300 -0.071 0.000 1.140 582 R HN 0.488 nan 8.270 nan 0.000 0.528 583 M N 1.957 121.529 119.600 -0.046 0.000 2.649 583 M HA 0.509 4.989 4.480 -0.000 0.000 0.294 583 M C 0.356 176.674 176.300 0.029 0.000 1.206 583 M CA -1.143 54.148 55.300 -0.016 0.000 0.928 583 M CB 0.903 33.510 32.600 0.011 0.000 1.571 583 M HN 0.540 nan 8.290 nan 0.000 0.501 584 A N 0.313 123.186 122.820 0.087 0.000 2.425 584 A HA 0.159 4.479 4.320 -0.000 0.000 0.242 584 A C 0.643 178.241 177.584 0.023 0.000 1.077 584 A CA -0.214 51.868 52.037 0.074 0.000 0.781 584 A CB -0.374 18.709 19.000 0.139 0.000 1.020 584 A HN 0.932 nan 8.150 nan 0.000 0.494 585 Y N 1.157 121.402 120.300 -0.091 0.000 2.556 585 Y HA -0.111 4.439 4.550 -0.000 0.000 0.290 585 Y C 1.175 177.047 175.900 -0.048 0.000 1.149 585 Y CA 1.573 59.629 58.100 -0.074 0.000 1.329 585 Y CB -0.212 38.186 38.460 -0.104 0.000 0.975 585 Y HN 0.435 nan 8.280 nan 0.000 0.561 586 L N -0.207 120.582 121.223 -0.723 0.000 2.168 586 L HA -0.009 4.331 4.340 -0.000 0.000 0.203 586 L C 2.202 178.993 176.870 -0.131 0.000 1.078 586 L CA 0.691 55.143 54.840 -0.647 0.000 0.780 586 L CB -0.136 41.572 42.059 -0.586 0.000 0.939 586 L HN 0.302 nan 8.230 nan 0.000 0.451 587 I N -1.416 119.181 120.570 0.044 0.000 2.546 587 I HA -0.217 3.953 4.170 -0.000 0.000 0.255 587 I C 2.673 178.815 176.117 0.042 0.000 1.163 587 I CA 0.498 61.866 61.300 0.113 0.000 1.457 587 I CB -0.195 37.910 38.000 0.175 0.000 1.092 587 I HN 0.180 nan 8.210 nan 0.000 0.434 588 S N 2.529 118.234 115.700 0.008 0.000 2.359 588 S HA -0.197 4.273 4.470 -0.000 0.000 0.222 588 S C 1.318 175.926 174.600 0.014 0.000 1.038 588 S CA 2.217 60.426 58.200 0.014 0.000 1.051 588 S CB -0.442 62.774 63.200 0.026 0.000 0.944 588 S HN 0.592 nan 8.310 nan 0.000 0.433 589 N N 0.926 119.627 118.700 0.002 0.000 2.410 589 N HA 0.414 5.154 4.740 -0.000 0.000 0.231 589 N C 0.066 175.584 175.510 0.014 0.000 1.172 589 N CA 0.560 53.619 53.050 0.014 0.000 0.849 589 N CB 0.239 38.742 38.487 0.027 0.000 1.116 589 N HN 0.361 nan 8.380 nan 0.000 0.485 590 A N -0.489 122.342 122.820 0.019 0.000 2.312 590 A HA 0.288 4.608 4.320 -0.000 0.000 0.215 590 A C 0.362 177.961 177.584 0.025 0.000 1.256 590 A CA -0.356 51.696 52.037 0.025 0.000 0.966 590 A CB 0.321 19.344 19.000 0.038 0.000 1.053 590 A HN 0.295 nan 8.150 nan 0.000 0.510 591 L N 1.994 123.233 121.223 0.026 0.000 2.418 591 L HA 0.172 4.512 4.340 -0.000 0.000 0.274 591 L C -0.795 176.090 176.870 0.026 0.000 1.135 591 L CA -0.284 54.572 54.840 0.026 0.000 0.870 591 L CB 0.685 42.759 42.059 0.025 0.000 1.154 591 L HN 0.182 nan 8.230 nan 0.000 0.462 592 D N 4.608 125.024 120.400 0.027 0.000 2.274 592 D HA 0.244 4.884 4.640 -0.000 0.000 0.239 592 D C 0.158 176.495 176.300 0.061 0.000 1.104 592 D CA -0.106 53.909 54.000 0.025 0.000 0.840 592 D CB 1.190 41.992 40.800 0.004 0.000 1.100 592 D HN 0.348 nan 8.370 nan 0.000 0.477 593 L N 2.578 123.838 121.223 0.061 0.000 3.017 593 L HA 0.217 4.557 4.340 -0.000 0.000 0.255 593 L C 0.287 177.167 176.870 0.017 0.000 1.247 593 L CA -0.369 54.548 54.840 0.129 0.000 1.038 593 L CB 0.137 42.266 42.059 0.116 0.000 1.380 593 L HN 0.179 nan 8.230 nan 0.000 0.548 594 S N 0.524 116.186 115.700 -0.063 0.000 2.549 594 S HA 0.279 4.749 4.470 -0.000 0.000 0.286 594 S C 1.357 175.793 174.600 -0.272 0.000 1.314 594 S CA 0.460 58.589 58.200 -0.118 0.000 1.062 594 S CB 1.004 64.143 63.200 -0.102 0.000 0.865 594 S HN 0.675 nan 8.310 nan 0.000 0.498 595 G N 1.232 109.898 108.800 -0.222 0.000 2.179 595 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.257 595 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.257 595 G C -0.025 174.556 174.900 -0.532 0.000 1.010 595 G CA 0.316 45.234 45.100 -0.304 0.000 0.736 595 G HN 0.748 nan 8.290 nan 0.000 0.513 596 Y N 0.289 120.476 120.300 -0.188 0.000 2.672 596 Y HA 0.229 4.779 4.550 -0.000 0.000 0.252 596 Y C 1.014 176.836 175.900 -0.131 0.000 1.132 596 Y CA -0.718 57.201 58.100 -0.302 0.000 1.228 596 Y CB 0.264 38.611 38.460 -0.188 0.000 1.310 596 Y HN 0.455 nan 8.280 nan 0.000 0.549 597 E N 1.774 121.994 120.200 0.034 0.000 2.820 597 E HA -0.152 4.198 4.350 -0.000 0.000 0.251 597 E C 0.084 176.739 176.600 0.091 0.000 0.944 597 E CA 0.615 57.045 56.400 0.050 0.000 0.955 597 E CB 0.159 29.877 29.700 0.029 0.000 0.904 597 E HN 0.378 nan 8.360 nan 0.000 0.513 598 N N 0.698 119.449 118.700 0.084 0.000 2.984 598 N HA -0.227 4.513 4.740 -0.000 0.000 0.227 598 N C 0.038 175.665 175.510 0.196 0.000 0.903 598 N CA 1.421 54.537 53.050 0.111 0.000 0.995 598 N CB -1.184 37.373 38.487 0.115 0.000 1.065 598 N HN 0.570 nan 8.380 nan 0.000 0.585 599 F N 0.584 120.550 119.950 0.026 0.000 2.536 599 F HA 0.518 5.045 4.527 -0.000 0.000 0.278 599 F C 0.685 176.459 175.800 -0.043 0.000 0.945 599 F CA 1.135 59.150 58.000 0.025 0.000 1.244 599 F CB -0.099 38.907 39.000 0.010 0.000 1.118 599 F HN 0.004 nan 8.300 nan 0.000 0.725 600 A N 2.455 125.087 122.820 -0.314 0.000 2.256 600 A HA 0.597 4.917 4.320 -0.000 0.000 0.317 600 A C -0.977 176.498 177.584 -0.181 0.000 1.318 600 A CA -0.497 51.293 52.037 -0.413 0.000 0.894 600 A CB -0.380 18.379 19.000 -0.401 0.000 1.165 600 A HN 0.190 nan 8.150 nan 0.000 0.525 601 I N 2.193 122.654 120.570 -0.181 0.000 2.359 601 I HA 0.244 4.414 4.170 -0.000 0.000 0.294 601 I C -0.113 175.948 176.117 -0.093 0.000 0.987 601 I CA -0.751 60.486 61.300 -0.105 0.000 1.225 601 I CB 1.389 39.325 38.000 -0.105 0.000 1.366 601 I HN 0.561 nan 8.210 nan 0.000 0.466 602 D N 5.664 126.032 120.400 -0.053 0.000 2.336 602 D HA 0.092 4.732 4.640 -0.000 0.000 0.249 602 D C 0.063 176.342 176.300 -0.036 0.000 1.213 602 D CA 0.178 54.155 54.000 -0.038 0.000 0.870 602 D CB 1.410 42.204 40.800 -0.010 0.000 1.076 602 D HN 0.295 nan 8.370 nan 0.000 0.483 603 V N 3.612 123.495 119.914 -0.052 0.000 3.006 603 V HA 0.067 4.187 4.120 -0.000 0.000 0.357 603 V C 1.134 177.223 176.094 -0.009 0.000 1.377 603 V CA 0.099 62.364 62.300 -0.059 0.000 1.198 603 V CB 0.020 31.754 31.823 -0.148 0.000 1.216 603 V HN 0.511 nan 8.190 nan 0.000 0.520 604 S N 1.004 116.708 115.700 0.006 0.000 2.461 604 S HA 0.067 4.537 4.470 -0.000 0.000 0.228 604 S C 1.385 176.006 174.600 0.035 0.000 1.005 604 S CA 0.739 58.948 58.200 0.014 0.000 0.942 604 S CB -0.118 63.094 63.200 0.019 0.000 0.776 604 S HN 0.726 nan 8.310 nan 0.000 0.514 605 N N 0.456 119.188 118.700 0.054 0.000 2.214 605 N HA 0.118 4.858 4.740 -0.000 0.000 0.214 605 N C -0.627 174.918 175.510 0.059 0.000 1.132 605 N CA -0.079 52.999 53.050 0.046 0.000 0.856 605 N CB 0.216 38.729 38.487 0.043 0.000 1.020 605 N HN 0.436 nan 8.380 nan 0.000 0.509 606 Y N 3.248 123.512 120.300 -0.060 0.000 2.537 606 Y HA -0.044 4.506 4.550 -0.000 0.000 0.339 606 Y C 1.448 177.306 175.900 -0.070 0.000 1.066 606 Y CA -0.549 57.503 58.100 -0.079 0.000 1.357 606 Y CB 0.426 38.817 38.460 -0.115 0.000 1.175 606 Y HN 0.085 nan 8.280 nan 0.000 0.525 607 N N 2.162 120.617 118.700 -0.408 0.000 2.132 607 N HA -0.221 4.519 4.740 -0.000 0.000 0.191 607 N C -0.271 175.127 175.510 -0.188 0.000 1.015 607 N CA 1.524 54.420 53.050 -0.256 0.000 0.864 607 N CB -0.211 38.141 38.487 -0.226 0.000 1.006 607 N HN 0.596 nan 8.380 nan 0.000 0.430 608 D N -0.566 119.659 120.400 -0.291 0.000 2.408 608 D HA 0.182 4.822 4.640 -0.000 0.000 0.243 608 D C -0.074 176.291 176.300 0.107 0.000 1.075 608 D CA -0.503 53.476 54.000 -0.035 0.000 0.832 608 D CB 2.362 43.169 40.800 0.010 0.000 1.162 608 D HN -0.093 nan 8.370 nan 0.000 0.515 609 V N 3.362 123.284 119.914 0.013 0.000 3.354 609 V HA -0.076 4.044 4.120 -0.000 0.000 0.258 609 V C 1.693 177.559 176.094 -0.380 0.000 1.159 609 V CA 1.086 63.270 62.300 -0.194 0.000 1.125 609 V CB 0.193 31.857 31.823 -0.265 0.000 0.774 609 V HN 0.514 nan 8.190 nan 0.000 0.464 610 S N -0.176 115.486 115.700 -0.063 0.000 2.436 610 S HA -0.100 4.370 4.470 -0.000 0.000 0.228 610 S C 1.670 176.346 174.600 0.127 0.000 1.014 610 S CA 1.059 59.308 58.200 0.082 0.000 0.950 610 S CB -0.088 63.195 63.200 0.139 0.000 0.784 610 S HN 0.697 nan 8.310 nan 0.000 0.504 611 E N 1.100 121.380 120.200 0.134 0.000 2.208 611 E HA 0.006 4.356 4.350 -0.000 0.000 0.193 611 E C 1.790 178.393 176.600 0.005 0.000 0.988 611 E CA 0.578 57.050 56.400 0.120 0.000 0.828 611 E CB -0.171 29.644 29.700 0.191 0.000 0.763 611 E HN 0.433 nan 8.360 nan 0.000 0.478 612 L N -0.141 121.030 121.223 -0.087 0.000 2.044 612 L HA -0.133 4.207 4.340 -0.000 0.000 0.205 612 L C 2.166 179.056 176.870 0.034 0.000 1.075 612 L CA 0.801 55.542 54.840 -0.164 0.000 0.747 612 L CB -0.426 41.456 42.059 -0.295 0.000 0.903 612 L HN 0.130 nan 8.230 nan 0.000 0.435 613 F N 0.244 120.287 119.950 0.155 0.000 2.161 613 F HA -0.217 4.310 4.527 -0.000 0.000 0.300 613 F C 2.439 178.347 175.800 0.181 0.000 1.089 613 F CA 0.929 59.093 58.000 0.274 0.000 1.282 613 F CB -1.006 38.183 39.000 0.313 0.000 1.010 613 F HN -0.028 nan 8.300 nan 0.000 0.485 614 L N 0.218 121.610 121.223 0.281 0.000 2.079 614 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 614 L C 1.933 178.878 176.870 0.125 0.000 1.081 614 L CA 1.404 56.349 54.840 0.175 0.000 0.752 614 L CB -0.551 41.596 42.059 0.147 0.000 0.896 614 L HN 0.236 nan 8.230 nan 0.000 0.433 615 I N -4.832 115.799 120.570 0.103 0.000 3.891 615 I HA 0.191 4.361 4.170 -0.000 0.000 0.331 615 I C 0.151 176.329 176.117 0.102 0.000 1.406 615 I CA -0.176 61.160 61.300 0.060 0.000 1.139 615 I CB 0.391 38.380 38.000 -0.018 0.000 1.056 615 I HN -0.107 nan 8.210 nan 0.000 0.399 616 S N 1.580 117.404 115.700 0.206 0.000 2.437 616 S HA 0.287 4.757 4.470 -0.000 0.000 0.305 616 S C 0.495 175.270 174.600 0.292 0.000 1.109 616 S CA -0.564 57.791 58.200 0.259 0.000 1.099 616 S CB 1.440 64.865 63.200 0.376 0.000 1.004 616 S HN 0.293 nan 8.310 nan 0.000 0.475 617 D N 1.177 121.710 120.400 0.223 0.000 2.277 617 D HA 0.044 4.684 4.640 -0.000 0.000 0.208 617 D C 0.836 177.310 176.300 0.289 0.000 0.962 617 D CA 0.717 54.850 54.000 0.221 0.000 0.865 617 D CB 0.174 41.084 40.800 0.184 0.000 0.939 617 D HN 0.662 nan 8.370 nan 0.000 0.510 618 C N -1.576 117.894 119.300 0.284 0.000 3.312 618 C HA 0.655 5.115 4.460 -0.000 0.000 0.332 618 C C -1.332 173.627 174.990 -0.052 0.000 1.340 618 C CA -1.265 57.899 59.018 0.243 0.000 1.265 618 C CB 1.131 29.035 27.740 0.272 0.000 1.563 618 C HN 0.091 nan 8.230 nan 0.000 0.471 619 L N 2.312 123.344 121.223 -0.319 0.000 2.349 619 L HA 0.658 4.998 4.340 -0.000 0.000 0.278 619 L C -0.865 175.829 176.870 -0.293 0.000 0.996 619 L CA -0.784 53.745 54.840 -0.518 0.000 0.825 619 L CB 1.232 42.609 42.059 -1.136 0.000 1.243 619 L HN 0.775 nan 8.230 nan 0.000 0.412 620 I N 4.386 124.854 120.570 -0.169 0.000 2.304 620 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 620 I C 0.233 176.354 176.117 0.008 0.000 1.018 620 I CA 0.113 61.357 61.300 -0.093 0.000 1.260 620 I CB 1.623 39.565 38.000 -0.097 0.000 1.390 620 I HN 0.554 nan 8.210 nan 0.000 0.475 621 T N 3.236 117.667 114.554 -0.204 0.000 2.716 621 T HA 0.434 4.784 4.350 -0.000 0.000 0.286 621 T C -0.471 174.206 174.700 -0.038 0.000 1.052 621 T CA -0.298 61.737 62.100 -0.109 0.000 1.024 621 T CB 1.857 70.624 68.868 -0.169 0.000 1.349 621 T HN 0.709 nan 8.240 nan 0.000 0.525 622 D N -0.630 119.732 120.400 -0.064 0.000 3.028 622 D HA 0.185 4.825 4.640 -0.000 0.000 0.205 622 D C -0.563 175.659 176.300 -0.129 0.000 1.489 622 D CA 0.191 54.055 54.000 -0.227 0.000 1.452 622 D CB -0.105 40.182 40.800 -0.856 0.000 1.052 622 D HN 0.588 nan 8.370 nan 0.000 0.221 623 Y N 0.441 120.836 120.300 0.158 0.000 2.960 623 Y HA 0.693 5.243 4.550 -0.000 0.000 0.343 623 Y C -0.002 175.960 175.900 0.102 0.000 1.106 623 Y CA -0.945 57.252 58.100 0.162 0.000 1.221 623 Y CB 0.991 39.519 38.460 0.114 0.000 1.232 623 Y HN 0.035 nan 8.280 nan 0.000 0.577 624 S N 0.487 116.280 115.700 0.156 0.000 2.569 624 S HA 0.298 4.768 4.470 -0.000 0.000 0.280 624 S C 0.700 175.357 174.600 0.095 0.000 1.111 624 S CA -0.366 57.914 58.200 0.133 0.000 0.887 624 S CB 1.523 64.781 63.200 0.097 0.000 1.095 624 S HN 0.522 nan 8.310 nan 0.000 0.476 625 S N 2.280 118.097 115.700 0.196 0.000 2.603 625 S HA -0.022 4.448 4.470 -0.000 0.000 0.220 625 S C 1.682 176.445 174.600 0.272 0.000 0.967 625 S CA 0.805 59.194 58.200 0.315 0.000 0.920 625 S CB -0.661 62.804 63.200 0.442 0.000 0.773 625 S HN 1.069 nan 8.310 nan 0.000 0.529 626 V N 1.002 121.023 119.914 0.178 0.000 2.809 626 V HA -0.047 4.073 4.120 -0.000 0.000 0.256 626 V C 2.444 178.543 176.094 0.008 0.000 1.080 626 V CA 1.450 63.855 62.300 0.175 0.000 1.102 626 V CB -1.356 30.638 31.823 0.285 0.000 0.705 626 V HN 0.731 nan 8.190 nan 0.000 0.475 627 M N -0.973 118.588 119.600 -0.066 0.000 2.267 627 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 627 M C 1.931 178.303 176.300 0.120 0.000 1.063 627 M CA 2.163 57.412 55.300 -0.086 0.000 1.090 627 M CB -0.920 31.601 32.600 -0.131 0.000 1.392 627 M HN 0.304 nan 8.290 nan 0.000 0.422 628 F N 1.723 121.820 119.950 0.245 0.000 2.367 628 F HA -0.031 4.496 4.527 -0.000 0.000 0.298 628 F C 1.980 177.873 175.800 0.156 0.000 1.094 628 F CA 0.930 59.039 58.000 0.182 0.000 1.409 628 F CB -0.637 38.379 39.000 0.027 0.000 1.064 628 F HN 0.257 nan 8.300 nan 0.000 0.528 629 D N -1.456 119.110 120.400 0.277 0.000 2.149 629 D HA -0.168 4.472 4.640 -0.000 0.000 0.206 629 D C 2.002 178.323 176.300 0.036 0.000 0.967 629 D CA 0.966 55.077 54.000 0.185 0.000 0.848 629 D CB -0.699 40.231 40.800 0.217 0.000 0.998 629 D HN 0.288 nan 8.370 nan 0.000 0.474 630 Y N 1.918 122.017 120.300 -0.334 0.000 2.373 630 Y HA -0.012 4.538 4.550 -0.000 0.000 0.293 630 Y C 2.268 178.153 175.900 -0.025 0.000 1.129 630 Y CA 1.467 59.319 58.100 -0.413 0.000 1.226 630 Y CB -0.288 37.779 38.460 -0.655 0.000 1.000 630 Y HN -0.055 nan 8.280 nan 0.000 0.549 631 G N 0.978 109.935 108.800 0.261 0.000 2.503 631 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.221 631 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.221 631 G C 1.695 176.775 174.900 0.300 0.000 1.131 631 G CA 1.419 46.759 45.100 0.400 0.000 0.756 631 G HN 0.535 nan 8.290 nan 0.000 0.572 632 I N 0.182 120.887 120.570 0.225 0.000 2.367 632 I HA -0.208 3.962 4.170 -0.000 0.000 0.256 632 I C 2.024 178.257 176.117 0.193 0.000 1.132 632 I CA 0.906 62.369 61.300 0.272 0.000 1.397 632 I CB -0.108 37.991 38.000 0.164 0.000 1.074 632 I HN 0.163 nan 8.210 nan 0.000 0.435 633 L N 0.042 121.254 121.223 -0.018 0.000 2.628 633 L HA 0.105 4.445 4.340 -0.000 0.000 0.229 633 L C 0.590 177.396 176.870 -0.106 0.000 1.137 633 L CA 0.005 54.776 54.840 -0.116 0.000 0.909 633 L CB -0.250 41.640 42.059 -0.282 0.000 1.137 633 L HN 0.074 nan 8.230 nan 0.000 0.470 634 K N 0.976 121.364 120.400 -0.020 0.000 3.311 634 K HA -0.231 4.089 4.320 -0.000 0.000 0.270 634 K C 0.090 176.690 176.600 0.001 0.000 0.927 634 K CA 0.523 56.813 56.287 0.006 0.000 0.706 634 K CB -1.003 31.438 32.500 -0.098 0.000 1.418 634 K HN 0.262 nan 8.250 nan 0.000 0.459 635 R N -0.052 120.446 120.500 -0.004 0.000 2.758 635 R HA 0.409 4.749 4.340 -0.000 0.000 0.265 635 R C -2.472 173.932 176.300 0.175 0.000 1.016 635 R CA -2.179 53.968 56.100 0.079 0.000 1.040 635 R CB 0.823 31.151 30.300 0.048 0.000 1.152 635 R HN -0.117 nan 8.270 nan 0.000 0.503 636 P HA 0.073 nan 4.420 nan 0.000 0.271 636 P C -1.234 176.068 177.300 0.004 0.000 1.218 636 P CA -0.115 63.007 63.100 0.037 0.000 0.780 636 P CB 0.735 32.487 31.700 0.087 0.000 0.901 637 Q N 1.142 120.777 119.800 -0.276 0.000 2.458 637 Q HA 0.666 5.006 4.340 -0.000 0.000 0.282 637 Q C -1.031 174.545 176.000 -0.707 0.000 1.106 637 Q CA -0.581 55.001 55.803 -0.368 0.000 0.814 637 Q CB 1.942 30.439 28.738 -0.402 0.000 1.425 637 Q HN 0.339 nan 8.270 nan 0.000 0.437 638 F N 0.156 119.737 119.950 -0.613 0.000 2.588 638 F HA 0.558 5.085 4.527 -0.000 0.000 0.314 638 F C -0.906 174.495 175.800 -0.665 0.000 1.069 638 F CA -0.790 56.982 58.000 -0.380 0.000 0.931 638 F CB 1.645 40.545 39.000 -0.168 0.000 1.260 638 F HN 0.387 nan 8.300 nan 0.000 0.465 639 F N 2.308 122.354 119.950 0.161 0.000 2.810 639 F HA 0.247 4.774 4.527 -0.000 0.000 0.373 639 F C -0.500 175.455 175.800 0.259 0.000 1.174 639 F CA -0.596 57.476 58.000 0.120 0.000 1.141 639 F CB 1.035 40.025 39.000 -0.016 0.000 1.420 639 F HN 0.346 nan 8.300 nan 0.000 0.518 640 F N 3.281 123.342 119.950 0.185 0.000 2.652 640 F HA 0.483 5.010 4.527 -0.000 0.000 0.352 640 F C 0.699 176.590 175.800 0.153 0.000 1.259 640 F CA -0.555 57.560 58.000 0.192 0.000 1.249 640 F CB 0.084 39.158 39.000 0.122 0.000 1.628 640 F HN 0.488 nan 8.300 nan 0.000 0.654 641 A N 5.301 128.128 122.820 0.012 0.000 3.118 641 A HA 0.065 4.385 4.320 -0.000 0.000 0.256 641 A C 0.845 178.262 177.584 -0.279 0.000 1.667 641 A CA -0.550 51.358 52.037 -0.216 0.000 1.338 641 A CB -1.286 17.732 19.000 0.030 0.000 1.127 641 A HN 0.945 nan 8.150 nan 0.000 0.634 642 Y N 0.048 120.018 120.300 -0.550 0.000 2.315 642 Y HA -0.142 4.407 4.550 -0.000 0.000 0.288 642 Y C 1.031 176.838 175.900 -0.155 0.000 1.154 642 Y CA 1.073 58.932 58.100 -0.402 0.000 1.229 642 Y CB -0.305 37.765 38.460 -0.650 0.000 0.980 642 Y HN 0.513 nan 8.280 nan 0.000 0.540 643 D N 0.208 120.288 120.400 -0.534 0.000 2.559 643 D HA 0.022 4.662 4.640 -0.000 0.000 0.234 643 D C 1.099 177.313 176.300 -0.144 0.000 1.226 643 D CA -0.344 53.502 54.000 -0.257 0.000 0.830 643 D CB -1.027 39.581 40.800 -0.320 0.000 1.028 643 D HN 0.590 nan 8.370 nan 0.000 0.492 644 I N 0.378 120.880 120.570 -0.114 0.000 3.164 644 I HA -0.198 3.972 4.170 -0.000 0.000 0.278 644 I C 0.106 176.172 176.117 -0.085 0.000 1.320 644 I CA 0.932 62.169 61.300 -0.104 0.000 1.422 644 I CB 0.144 38.102 38.000 -0.070 0.000 1.066 644 I HN -0.125 nan 8.210 nan 0.000 0.503 645 D N 0.150 120.520 120.400 -0.049 0.000 2.269 645 D HA -0.091 4.549 4.640 -0.000 0.000 0.220 645 D C 1.968 178.244 176.300 -0.039 0.000 0.962 645 D CA 0.534 54.511 54.000 -0.039 0.000 0.884 645 D CB 0.020 40.809 40.800 -0.017 0.000 1.023 645 D HN 0.184 nan 8.370 nan 0.000 0.484 646 K N 0.295 120.684 120.400 -0.018 0.000 2.089 646 K HA -0.181 4.139 4.320 -0.000 0.000 0.210 646 K C 0.571 177.147 176.600 -0.040 0.000 1.048 646 K CA 0.896 57.174 56.287 -0.016 0.000 0.926 646 K CB -0.396 32.114 32.500 0.017 0.000 0.714 646 K HN 0.199 nan 8.250 nan 0.000 0.448 647 Y N 2.299 122.456 120.300 -0.238 0.000 3.267 647 Y HA -0.098 4.452 4.550 -0.000 0.000 0.381 647 Y C -0.282 175.417 175.900 -0.336 0.000 1.023 647 Y CA 0.345 58.240 58.100 -0.342 0.000 2.048 647 Y CB -1.071 37.054 38.460 -0.559 0.000 2.239 647 Y HN 0.214 nan 8.280 nan 0.000 0.410 648 D N -1.313 118.978 120.400 -0.182 0.000 2.876 648 D HA -0.279 4.361 4.640 -0.000 0.000 0.196 648 D C 1.059 177.271 176.300 -0.146 0.000 1.014 648 D CA 1.053 54.940 54.000 -0.188 0.000 1.012 648 D CB -0.849 39.799 40.800 -0.253 0.000 1.080 648 D HN 0.568 nan 8.370 nan 0.000 0.438 649 K N -2.704 117.623 120.400 -0.122 0.000 6.211 649 K HA -0.225 4.095 4.320 -0.000 0.000 0.464 649 K C 0.953 177.493 176.600 -0.101 0.000 0.365 649 K CA 2.031 58.262 56.287 -0.093 0.000 1.948 649 K CB -1.612 30.845 32.500 -0.072 0.000 0.668 649 K HN 0.365 nan 8.250 nan 0.000 0.711 650 G N 1.685 110.413 108.800 -0.119 0.000 4.101 650 G HA2 0.447 4.407 3.960 -0.000 0.000 0.262 650 G HA3 0.447 4.407 3.960 -0.000 0.000 0.262 650 G C -0.482 174.330 174.900 -0.146 0.000 1.181 650 G CA -0.414 44.618 45.100 -0.113 0.000 0.640 650 G HN 0.238 nan 8.290 nan 0.000 0.467 651 L N -1.038 120.039 121.223 -0.243 0.000 2.361 651 L HA 0.604 4.944 4.340 -0.000 0.000 0.278 651 L C 0.801 177.518 176.870 -0.255 0.000 1.113 651 L CA -0.892 53.770 54.840 -0.296 0.000 0.849 651 L CB 0.835 42.624 42.059 -0.450 0.000 1.155 651 L HN 0.183 nan 8.230 nan 0.000 0.452 652 R N 3.022 123.434 120.500 -0.148 0.000 2.320 652 R HA 0.132 4.472 4.340 -0.000 0.000 0.211 652 R C 1.635 177.889 176.300 -0.077 0.000 0.931 652 R CA 0.432 56.495 56.100 -0.063 0.000 1.071 652 R CB 0.215 30.494 30.300 -0.034 0.000 1.025 652 R HN 1.003 nan 8.270 nan 0.000 0.495 653 G N 0.579 109.284 108.800 -0.159 0.000 3.028 653 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.205 653 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.205 653 G C -0.218 174.748 174.900 0.110 0.000 1.182 653 G CA 0.290 45.319 45.100 -0.118 0.000 0.860 653 G HN 0.046 nan 8.290 nan 0.000 0.507 654 F N -1.626 118.261 119.950 -0.106 0.000 2.546 654 F HA 0.498 5.025 4.527 -0.000 0.000 0.320 654 F C 0.506 176.290 175.800 -0.028 0.000 1.076 654 F CA -2.498 55.486 58.000 -0.026 0.000 0.928 654 F CB 1.569 40.643 39.000 0.122 0.000 1.189 654 F HN -0.014 nan 8.300 nan 0.000 0.465 655 Y N 0.694 121.184 120.300 0.317 0.000 2.457 655 Y HA 0.003 4.553 4.550 -0.000 0.000 0.292 655 Y C 0.929 177.033 175.900 0.341 0.000 1.125 655 Y CA 0.503 58.742 58.100 0.232 0.000 1.254 655 Y CB -0.145 38.388 38.460 0.120 0.000 1.012 655 Y HN 0.446 nan 8.280 nan 0.000 0.555 656 M N -1.901 118.012 119.600 0.523 0.000 2.762 656 M HA 0.433 4.913 4.480 -0.000 0.000 0.306 656 M C -0.449 176.063 176.300 0.354 0.000 1.223 656 M CA -0.851 54.703 55.300 0.424 0.000 0.896 656 M CB 0.851 33.661 32.600 0.350 0.000 1.684 656 M HN -0.294 nan 8.290 nan 0.000 0.491 657 N N 0.987 119.851 118.700 0.274 0.000 2.602 657 N HA 0.115 4.855 4.740 -0.000 0.000 0.238 657 N C -0.273 175.372 175.510 0.226 0.000 1.084 657 N CA 0.025 53.212 53.050 0.230 0.000 0.952 657 N CB 0.055 38.638 38.487 0.160 0.000 1.244 657 N HN 0.843 nan 8.380 nan 0.000 0.512 658 Y N 3.038 123.440 120.300 0.171 0.000 2.128 658 Y HA -0.228 4.322 4.550 -0.000 0.000 0.284 658 Y C 1.909 177.818 175.900 0.015 0.000 1.154 658 Y CA 1.554 59.720 58.100 0.111 0.000 1.149 658 Y CB 0.209 38.814 38.460 0.242 0.000 0.976 658 Y HN 0.451 nan 8.280 nan 0.000 0.505 659 M N 0.107 119.881 119.600 0.290 0.000 2.700 659 M HA -0.084 4.396 4.480 -0.000 0.000 0.249 659 M C 1.101 177.448 176.300 0.078 0.000 1.082 659 M CA 1.290 56.700 55.300 0.183 0.000 1.077 659 M CB -0.196 32.478 32.600 0.124 0.000 1.477 659 M HN 0.401 nan 8.290 nan 0.000 0.529 660 E N -0.928 119.299 120.200 0.045 0.000 3.567 660 E HA 0.029 4.379 4.350 -0.000 0.000 0.207 660 E C -0.148 176.448 176.600 -0.007 0.000 1.278 660 E CA 0.375 56.790 56.400 0.026 0.000 1.316 660 E CB 0.277 30.010 29.700 0.055 0.000 2.414 660 E HN 0.345 nan 8.360 nan 0.000 0.544 661 D N 2.665 123.085 120.400 0.032 0.000 2.870 661 D HA 0.104 4.744 4.640 -0.000 0.000 0.241 661 D C 0.342 176.687 176.300 0.074 0.000 1.234 661 D CA -0.057 53.988 54.000 0.075 0.000 0.844 661 D CB -0.665 40.216 40.800 0.135 0.000 1.051 661 D HN 0.216 nan 8.370 nan 0.000 0.469 662 L N -4.081 117.042 121.223 -0.166 0.000 2.332 662 L HA 0.685 5.025 4.340 -0.000 0.000 0.269 662 L C -2.059 174.543 176.870 -0.445 0.000 1.016 662 L CA -2.389 52.182 54.840 -0.449 0.000 0.809 662 L CB 1.674 43.164 42.059 -0.948 0.000 1.280 662 L HN -0.376 nan 8.230 nan 0.000 0.447 663 P HA 0.205 nan 4.420 nan 0.000 0.249 663 P C 0.193 177.300 177.300 -0.322 0.000 1.241 663 P CA 0.260 63.142 63.100 -0.363 0.000 0.781 663 P CB 0.344 31.748 31.700 -0.494 0.000 1.088 664 G N -0.448 108.131 108.800 -0.368 0.000 2.721 664 G HA2 0.556 4.516 3.960 -0.000 0.000 0.296 664 G HA3 0.556 4.516 3.960 -0.000 0.000 0.296 664 G C -3.398 171.200 174.900 -0.503 0.000 1.383 664 G CA -1.560 43.166 45.100 -0.622 0.000 0.788 664 G HN -0.324 nan 8.290 nan 0.000 0.500 665 P HA 0.395 nan 4.420 nan 0.000 0.280 665 P C -0.342 176.859 177.300 -0.165 0.000 1.244 665 P CA -0.285 62.613 63.100 -0.337 0.000 0.784 665 P CB 1.035 32.468 31.700 -0.446 0.000 0.913 666 I N 3.848 124.342 120.570 -0.128 0.000 2.301 666 I HA 0.199 4.369 4.170 -0.000 0.000 0.292 666 I C -0.175 175.930 176.117 -0.019 0.000 1.046 666 I CA -0.412 60.918 61.300 0.049 0.000 1.282 666 I CB -0.082 37.996 38.000 0.129 0.000 1.409 666 I HN 0.285 nan 8.210 nan 0.000 0.484 667 Y N 3.743 124.204 120.300 0.269 0.000 2.361 667 Y HA 0.247 4.797 4.550 -0.000 0.000 0.332 667 Y C 1.488 177.581 175.900 0.321 0.000 1.101 667 Y CA -0.780 57.480 58.100 0.267 0.000 1.137 667 Y CB 1.855 40.462 38.460 0.245 0.000 1.207 667 Y HN 0.574 nan 8.280 nan 0.000 0.463 668 T N -2.928 111.896 114.554 0.449 0.000 2.971 668 T HA 0.109 4.459 4.350 -0.000 0.000 0.252 668 T C 0.123 175.073 174.700 0.418 0.000 1.022 668 T CA -0.146 62.152 62.100 0.330 0.000 0.980 668 T CB 0.358 69.350 68.868 0.206 0.000 1.044 668 T HN 0.562 nan 8.240 nan 0.000 0.501 669 E N 2.098 122.549 120.200 0.418 0.000 2.256 669 E HA 0.331 4.681 4.350 -0.000 0.000 0.267 669 E C -2.708 173.879 176.600 -0.022 0.000 0.892 669 E CA -2.268 54.300 56.400 0.279 0.000 0.775 669 E CB 2.549 32.394 29.700 0.242 0.000 1.207 669 E HN -0.076 nan 8.360 nan 0.000 0.420 670 P HA 0.084 nan 4.420 nan 0.000 0.241 670 P C 0.320 177.084 177.300 -0.894 0.000 1.191 670 P CA 0.554 63.036 63.100 -1.030 0.000 0.771 670 P CB -0.098 30.872 31.700 -1.216 0.000 0.929 671 Y N -0.297 119.847 120.300 -0.260 0.000 2.301 671 Y HA 0.195 4.745 4.550 -0.000 0.000 0.295 671 Y C 2.748 178.487 175.900 -0.268 0.000 1.119 671 Y CA 1.200 59.165 58.100 -0.225 0.000 1.162 671 Y CB -1.547 36.840 38.460 -0.123 0.000 1.046 671 Y HN -0.066 nan 8.280 nan 0.000 0.538 672 G N 0.171 108.858 108.800 -0.187 0.000 2.443 672 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.219 672 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.219 672 G C 1.701 176.188 174.900 -0.688 0.000 1.131 672 G CA 0.528 45.446 45.100 -0.304 0.000 0.775 672 G HN 0.346 nan 8.290 nan 0.000 0.547 673 L N 0.479 121.110 121.223 -0.987 0.000 1.976 673 L HA -0.043 4.297 4.340 -0.000 0.000 0.209 673 L C 3.295 179.821 176.870 -0.572 0.000 1.071 673 L CA 1.565 55.847 54.840 -0.931 0.000 0.746 673 L CB -0.447 41.141 42.059 -0.785 0.000 0.890 673 L HN 0.315 nan 8.230 nan 0.000 0.432 674 A N -0.041 122.485 122.820 -0.491 0.000 1.927 674 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 674 A C 2.195 179.627 177.584 -0.254 0.000 1.185 674 A CA 1.950 53.769 52.037 -0.364 0.000 0.639 674 A CB -0.447 18.397 19.000 -0.260 0.000 0.820 674 A HN 0.368 nan 8.150 nan 0.000 0.451 675 K N -0.505 119.782 120.400 -0.189 0.000 2.025 675 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 675 K C 1.907 178.476 176.600 -0.052 0.000 1.049 675 K CA 1.661 57.893 56.287 -0.092 0.000 0.933 675 K CB -0.526 31.946 32.500 -0.047 0.000 0.714 675 K HN 0.668 nan 8.250 nan 0.000 0.438 676 E N 0.748 120.926 120.200 -0.038 0.000 2.110 676 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 676 E C 1.776 178.409 176.600 0.055 0.000 0.988 676 E CA 0.572 57.038 56.400 0.110 0.000 0.804 676 E CB -0.075 29.821 29.700 0.327 0.000 0.745 676 E HN -0.035 nan 8.360 nan 0.000 0.458 677 L N 0.823 121.939 121.223 -0.178 0.000 2.127 677 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 677 L C 2.007 178.792 176.870 -0.142 0.000 1.089 677 L CA 1.577 56.223 54.840 -0.323 0.000 0.757 677 L CB -0.852 40.842 42.059 -0.608 0.000 0.899 677 L HN 0.055 nan 8.230 nan 0.000 0.434 678 K N 0.065 120.430 120.400 -0.058 0.000 2.000 678 K HA -0.200 4.120 4.320 -0.000 0.000 0.218 678 K C 1.001 177.697 176.600 0.160 0.000 1.053 678 K CA 1.543 57.868 56.287 0.063 0.000 0.946 678 K CB -0.231 32.290 32.500 0.035 0.000 0.723 678 K HN 0.188 nan 8.250 nan 0.000 0.446 679 N N 0.657 119.433 118.700 0.126 0.000 2.817 679 N HA 0.079 4.819 4.740 -0.000 0.000 0.234 679 N C 0.411 176.024 175.510 0.171 0.000 1.066 679 N CA 0.034 53.167 53.050 0.139 0.000 0.926 679 N CB 0.205 38.753 38.487 0.102 0.000 1.176 679 N HN 0.122 nan 8.380 nan 0.000 0.506 680 L N 1.505 122.855 121.223 0.212 0.000 2.042 680 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 680 L C 0.846 177.826 176.870 0.182 0.000 1.076 680 L CA 1.673 56.652 54.840 0.232 0.000 0.749 680 L CB -0.099 42.110 42.059 0.249 0.000 0.893 680 L HN 0.494 nan 8.230 nan 0.000 0.432 681 D N -0.620 119.862 120.400 0.137 0.000 2.178 681 D HA -0.232 4.408 4.640 -0.000 0.000 0.201 681 D C 2.125 178.486 176.300 0.103 0.000 0.980 681 D CA 1.018 55.081 54.000 0.105 0.000 0.842 681 D CB 0.009 40.854 40.800 0.076 0.000 0.948 681 D HN 0.210 nan 8.370 nan 0.000 0.472 682 K N 0.532 120.999 120.400 0.112 0.000 2.155 682 K HA -0.065 4.255 4.320 -0.000 0.000 0.203 682 K C 1.711 178.391 176.600 0.134 0.000 1.052 682 K CA 0.537 56.886 56.287 0.103 0.000 0.948 682 K CB 0.196 32.753 32.500 0.096 0.000 0.728 682 K HN -0.005 nan 8.250 nan 0.000 0.448 683 V N 1.285 121.313 119.914 0.190 0.000 2.407 683 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 683 V C 2.395 178.627 176.094 0.229 0.000 1.055 683 V CA 1.995 64.447 62.300 0.253 0.000 1.049 683 V CB -0.567 31.442 31.823 0.310 0.000 0.662 683 V HN 0.425 nan 8.190 nan 0.000 0.455 684 Q N -0.264 119.635 119.800 0.166 0.000 2.224 684 Q HA -0.174 4.166 4.340 -0.000 0.000 0.203 684 Q C 2.172 178.236 176.000 0.106 0.000 0.970 684 Q CA 1.589 57.471 55.803 0.132 0.000 0.865 684 Q CB -0.065 28.738 28.738 0.109 0.000 0.922 684 Q HN 0.713 nan 8.270 nan 0.000 0.445 685 Q N -0.688 119.162 119.800 0.083 0.000 2.107 685 Q HA -0.090 4.250 4.340 -0.000 0.000 0.195 685 Q C 2.026 178.028 176.000 0.003 0.000 0.964 685 Q CA 0.888 56.716 55.803 0.041 0.000 0.833 685 Q CB -0.056 28.699 28.738 0.029 0.000 0.910 685 Q HN 0.437 nan 8.270 nan 0.000 0.465 686 Q N -0.263 119.523 119.800 -0.023 0.000 2.242 686 Q HA -0.220 4.120 4.340 -0.000 0.000 0.211 686 Q C 0.658 176.437 176.000 -0.369 0.000 0.992 686 Q CA 1.669 57.354 55.803 -0.196 0.000 0.889 686 Q CB 0.098 28.711 28.738 -0.209 0.000 0.913 686 Q HN 0.431 nan 8.270 nan 0.000 0.422 687 Y N -2.060 118.231 120.300 -0.015 0.000 2.481 687 Y HA 0.054 4.604 4.550 -0.000 0.000 0.247 687 Y C 1.830 177.725 175.900 -0.009 0.000 1.151 687 Y CA -0.191 57.892 58.100 -0.028 0.000 1.238 687 Y CB 0.485 38.904 38.460 -0.068 0.000 1.179 687 Y HN 0.061 nan 8.280 nan 0.000 0.524 688 Q N 1.486 121.352 119.800 0.111 0.000 2.142 688 Q HA -0.261 4.079 4.340 -0.000 0.000 0.213 688 Q C 1.755 177.800 176.000 0.074 0.000 1.004 688 Q CA 2.253 58.103 55.803 0.078 0.000 0.883 688 Q CB -0.101 28.663 28.738 0.043 0.000 0.939 688 Q HN 0.397 nan 8.270 nan 0.000 0.413 689 E N 0.253 120.484 120.200 0.052 0.000 2.019 689 E HA -0.241 4.109 4.350 -0.000 0.000 0.208 689 E C 1.959 178.613 176.600 0.089 0.000 1.030 689 E CA 1.775 58.205 56.400 0.050 0.000 0.856 689 E CB -0.338 29.372 29.700 0.017 0.000 0.781 689 E HN 0.430 nan 8.360 nan 0.000 0.471 690 K N 0.263 120.733 120.400 0.117 0.000 2.152 690 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 690 K C 2.292 178.991 176.600 0.165 0.000 1.048 690 K CA 0.759 57.131 56.287 0.141 0.000 0.933 690 K CB -0.192 32.414 32.500 0.176 0.000 0.721 690 K HN 0.168 nan 8.250 nan 0.000 0.447 691 I N 1.171 121.837 120.570 0.160 0.000 2.315 691 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 691 I C 1.623 177.882 176.117 0.238 0.000 1.117 691 I CA 1.153 62.560 61.300 0.178 0.000 1.404 691 I CB -0.155 37.923 38.000 0.129 0.000 1.071 691 I HN 0.157 nan 8.210 nan 0.000 0.419 692 D N 0.962 121.463 120.400 0.168 0.000 2.123 692 D HA -0.082 4.558 4.640 -0.000 0.000 0.200 692 D C 2.263 178.670 176.300 0.177 0.000 0.976 692 D CA 1.385 55.479 54.000 0.157 0.000 0.831 692 D CB -0.127 40.723 40.800 0.084 0.000 0.974 692 D HN 0.278 nan 8.370 nan 0.000 0.469 693 A N 0.211 123.118 122.820 0.144 0.000 1.978 693 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 693 A C 2.020 179.672 177.584 0.113 0.000 1.170 693 A CA 0.979 53.075 52.037 0.099 0.000 0.636 693 A CB -0.811 18.242 19.000 0.088 0.000 0.810 693 A HN 0.231 nan 8.150 nan 0.000 0.448 694 F N -1.635 118.356 119.950 0.068 0.000 2.187 694 F HA -0.020 4.507 4.527 -0.000 0.000 0.295 694 F C 2.029 177.917 175.800 0.146 0.000 1.091 694 F CA 1.284 59.362 58.000 0.130 0.000 1.308 694 F CB -0.398 38.724 39.000 0.203 0.000 1.030 694 F HN 0.369 nan 8.300 nan 0.000 0.487 695 Y N 0.805 121.191 120.300 0.144 0.000 2.352 695 Y HA -0.181 4.369 4.550 -0.000 0.000 0.292 695 Y C 1.858 177.716 175.900 -0.071 0.000 1.136 695 Y CA 1.866 59.991 58.100 0.042 0.000 1.227 695 Y CB -0.428 38.075 38.460 0.072 0.000 0.991 695 Y HN 0.047 nan 8.280 nan 0.000 0.545 696 D N -0.482 119.904 120.400 -0.024 0.000 2.213 696 D HA -0.063 4.577 4.640 -0.000 0.000 0.205 696 D C 2.029 178.141 176.300 -0.313 0.000 0.961 696 D CA 0.719 54.647 54.000 -0.121 0.000 0.853 696 D CB -0.164 40.625 40.800 -0.019 0.000 0.967 696 D HN 0.367 nan 8.370 nan 0.000 0.496 697 R N -0.531 119.670 120.500 -0.499 0.000 2.100 697 R HA -0.005 4.335 4.340 -0.000 0.000 0.220 697 R C 0.876 176.608 176.300 -0.945 0.000 1.091 697 R CA 0.866 56.456 56.100 -0.850 0.000 0.986 697 R CB 0.174 29.684 30.300 -1.317 0.000 0.888 697 R HN 0.059 nan 8.270 nan 0.000 0.444 698 F N -2.454 117.219 119.950 -0.462 0.000 2.798 698 F HA 0.237 4.764 4.527 -0.000 0.000 0.328 698 F C 0.666 176.230 175.800 -0.394 0.000 1.098 698 F CA -0.599 57.110 58.000 -0.485 0.000 1.172 698 F CB 0.897 39.506 39.000 -0.652 0.000 1.072 698 F HN 0.009 nan 8.300 nan 0.000 0.555 699 C N -1.134 117.954 119.300 -0.354 0.000 3.911 699 C HA 0.125 4.585 4.460 -0.000 0.000 0.318 699 C C 2.302 176.893 174.990 -0.664 0.000 1.643 699 C CA 0.180 58.944 59.018 -0.423 0.000 1.845 699 C CB -0.867 26.641 27.740 -0.386 0.000 2.981 699 C HN 0.385 nan 8.230 nan 0.000 0.656 700 S N 1.170 116.496 115.700 -0.623 0.000 2.474 700 S HA -0.064 4.406 4.470 -0.000 0.000 0.235 700 S C 1.414 175.870 174.600 -0.239 0.000 0.997 700 S CA 1.121 59.038 58.200 -0.473 0.000 0.949 700 S CB -0.503 62.525 63.200 -0.286 0.000 0.766 700 S HN 0.403 nan 8.310 nan 0.000 0.517 701 V N 1.694 121.478 119.914 -0.216 0.000 2.719 701 V HA 0.018 4.138 4.120 -0.000 0.000 0.252 701 V C 0.555 176.577 176.094 -0.119 0.000 1.065 701 V CA 0.839 63.048 62.300 -0.151 0.000 1.086 701 V CB -0.622 31.110 31.823 -0.152 0.000 0.700 701 V HN 0.417 nan 8.190 nan 0.000 0.467 702 D N 1.344 121.681 120.400 -0.106 0.000 2.363 702 D HA 0.039 4.679 4.640 -0.000 0.000 0.263 702 D C 0.908 177.200 176.300 -0.014 0.000 1.258 702 D CA 0.142 54.113 54.000 -0.048 0.000 0.907 702 D CB 0.767 41.562 40.800 -0.007 0.000 1.107 702 D HN 0.196 nan 8.370 nan 0.000 0.495 703 N N 1.716 120.401 118.700 -0.026 0.000 2.171 703 N HA -0.089 4.651 4.740 -0.000 0.000 0.184 703 N C 1.514 177.036 175.510 0.019 0.000 1.021 703 N CA 1.171 54.214 53.050 -0.011 0.000 0.854 703 N CB 0.097 38.564 38.487 -0.035 0.000 0.994 703 N HN 0.683 nan 8.380 nan 0.000 0.426 704 G N 0.363 109.177 108.800 0.024 0.000 2.141 704 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.231 704 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.231 704 G C 0.380 175.298 174.900 0.030 0.000 0.984 704 G CA 0.328 45.453 45.100 0.041 0.000 0.660 704 G HN 0.398 nan 8.290 nan 0.000 0.525 705 K N -0.284 120.118 120.400 0.003 0.000 2.792 705 K HA 0.617 4.937 4.320 -0.000 0.000 0.207 705 K C 1.897 178.475 176.600 -0.037 0.000 1.103 705 K CA 0.317 56.593 56.287 -0.018 0.000 1.048 705 K CB 0.755 33.245 32.500 -0.016 0.000 0.777 705 K HN 0.313 nan 8.250 nan 0.000 0.468 706 A N 0.888 123.699 122.820 -0.015 0.000 1.840 706 A HA -0.109 4.211 4.320 -0.000 0.000 0.214 706 A C 2.029 179.609 177.584 -0.006 0.000 1.198 706 A CA 1.596 53.638 52.037 0.009 0.000 0.608 706 A CB -0.434 18.587 19.000 0.034 0.000 0.839 706 A HN 0.228 nan 8.150 nan 0.000 0.443 707 S N -0.048 115.643 115.700 -0.014 0.000 2.389 707 S HA -0.359 4.111 4.470 -0.000 0.000 0.231 707 S C 2.089 176.390 174.600 -0.499 0.000 1.052 707 S CA 1.916 60.074 58.200 -0.070 0.000 1.053 707 S CB -0.547 62.697 63.200 0.074 0.000 0.886 707 S HN 0.731 nan 8.310 nan 0.000 0.456 708 Q N -0.247 119.131 119.800 -0.702 0.000 2.096 708 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 708 Q C 2.015 177.742 176.000 -0.455 0.000 0.982 708 Q CA 1.601 56.739 55.803 -1.107 0.000 0.850 708 Q CB -0.315 28.144 28.738 -0.464 0.000 0.901 708 Q HN 0.672 nan 8.270 nan 0.000 0.422 709 Y N 0.521 120.647 120.300 -0.291 0.000 2.200 709 Y HA -0.203 4.347 4.550 -0.000 0.000 0.290 709 Y C 1.867 177.692 175.900 -0.126 0.000 1.137 709 Y CA 1.379 59.383 58.100 -0.159 0.000 1.163 709 Y CB -0.047 38.341 38.460 -0.120 0.000 0.988 709 Y HN 0.165 nan 8.280 nan 0.000 0.518 710 I N -0.149 120.363 120.570 -0.096 0.000 2.133 710 I HA -0.204 3.966 4.170 -0.000 0.000 0.238 710 I C 2.742 178.817 176.117 -0.071 0.000 1.074 710 I CA 1.534 62.764 61.300 -0.117 0.000 1.342 710 I CB -2.021 35.992 38.000 0.022 0.000 1.053 710 I HN 0.346 nan 8.210 nan 0.000 0.404 711 G N 1.369 110.183 108.800 0.022 0.000 2.624 711 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.221 711 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.221 711 G C 1.286 176.318 174.900 0.220 0.000 1.169 711 G CA 1.478 46.746 45.100 0.279 0.000 0.771 711 G HN 0.340 nan 8.290 nan 0.000 0.598 712 D N 0.022 120.513 120.400 0.153 0.000 2.097 712 D HA -0.082 4.558 4.640 -0.000 0.000 0.195 712 D C 2.414 178.692 176.300 -0.037 0.000 0.989 712 D CA 0.861 54.929 54.000 0.114 0.000 0.827 712 D CB -0.602 40.244 40.800 0.076 0.000 0.966 712 D HN 0.258 nan 8.370 nan 0.000 0.456 713 L N 0.846 121.941 121.223 -0.215 0.000 2.043 713 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 713 L C 2.079 178.843 176.870 -0.178 0.000 1.075 713 L CA 1.486 56.153 54.840 -0.287 0.000 0.752 713 L CB -0.484 41.264 42.059 -0.519 0.000 0.891 713 L HN 0.017 nan 8.230 nan 0.000 0.432 714 I N -1.090 119.368 120.570 -0.187 0.000 2.142 714 I HA -0.347 3.823 4.170 -0.000 0.000 0.240 714 I C 2.564 178.457 176.117 -0.373 0.000 1.078 714 I CA 1.704 62.785 61.300 -0.364 0.000 1.343 714 I CB -0.528 37.230 38.000 -0.402 0.000 1.046 714 I HN 0.492 nan 8.210 nan 0.000 0.405 715 H N 1.478 120.326 119.070 -0.371 0.000 2.319 715 H HA -0.263 4.293 4.556 -0.000 0.000 0.297 715 H C 2.281 177.500 175.328 -0.182 0.000 1.097 715 H CA 2.298 58.126 56.048 -0.366 0.000 1.285 715 H CB -0.049 29.294 29.762 -0.699 0.000 1.368 715 H HN 0.128 nan 8.280 nan 0.000 0.495 716 K N -0.237 120.137 120.400 -0.044 0.000 2.147 716 K HA -0.163 4.157 4.320 -0.000 0.000 0.205 716 K C 1.493 178.038 176.600 -0.091 0.000 1.049 716 K CA 1.733 58.001 56.287 -0.032 0.000 0.936 716 K CB -0.009 32.501 32.500 0.017 0.000 0.722 716 K HN 0.334 nan 8.250 nan 0.000 0.446 717 D N 0.792 121.139 120.400 -0.089 0.000 2.144 717 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 717 D C 1.699 177.971 176.300 -0.046 0.000 0.978 717 D CA 1.110 55.105 54.000 -0.008 0.000 0.833 717 D CB 0.074 40.974 40.800 0.167 0.000 0.961 717 D HN 0.504 nan 8.370 nan 0.000 0.470 718 I N -1.920 118.548 120.570 -0.170 0.000 3.883 718 I HA 0.094 4.264 4.170 -0.000 0.000 0.326 718 I C 1.473 177.491 176.117 -0.166 0.000 1.283 718 I CA 0.175 61.368 61.300 -0.178 0.000 1.161 718 I CB 0.220 38.018 38.000 -0.338 0.000 1.012 718 I HN -0.230 nan 8.210 nan 0.000 0.421 719 K N 1.178 121.456 120.400 -0.204 0.000 2.155 719 K HA -0.073 4.247 4.320 -0.000 0.000 0.203 719 K C 1.838 178.395 176.600 -0.071 0.000 1.052 719 K CA 1.215 57.417 56.287 -0.142 0.000 0.948 719 K CB 0.116 32.512 32.500 -0.174 0.000 0.728 719 K HN 0.457 nan 8.250 nan 0.000 0.448 720 E N 1.103 121.266 120.200 -0.061 0.000 2.006 720 E HA -0.223 4.127 4.350 -0.000 0.000 0.192 720 E C 1.990 178.571 176.600 -0.032 0.000 0.993 720 E CA 1.240 57.619 56.400 -0.034 0.000 0.808 720 E CB -0.414 29.272 29.700 -0.024 0.000 0.764 720 E HN 0.377 nan 8.360 nan 0.000 0.449 721 Q N 0.195 119.974 119.800 -0.036 0.000 2.268 721 Q HA -0.141 4.199 4.340 -0.000 0.000 0.210 721 Q C 0.797 176.780 176.000 -0.029 0.000 0.988 721 Q CA 0.539 56.322 55.803 -0.034 0.000 0.883 721 Q CB -0.124 28.593 28.738 -0.036 0.000 0.911 721 Q HN 0.051 nan 8.270 nan 0.000 0.430 722 L N 1.505 122.711 121.223 -0.029 0.000 2.821 722 L HA 0.154 4.494 4.340 -0.000 0.000 0.239 722 L C -0.356 176.507 176.870 -0.011 0.000 1.391 722 L CA 0.982 55.812 54.840 -0.016 0.000 1.231 722 L CB -0.932 41.121 42.059 -0.010 0.000 1.598 722 L HN 0.103 nan 8.230 nan 0.000 0.428 723 E N 0.000 120.192 120.200 -0.013 0.000 2.725 723 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 723 E CA 0.000 56.395 56.400 -0.009 0.000 0.976 723 E CB 0.000 29.695 29.700 -0.008 0.000 0.812 723 E HN 0.000 nan 8.360 nan 0.000 0.440