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 2gk7_1_A DATA FIRST_RESID 295 DATA SEQUENCE RYEDAYQYQN IFGPLVKLEA DYDKKLKESQ TQDNITVRWD LGXXKKRIAY DATA SEQUENCE FTLPKTDSDM RLMQGDEICL RYXXXXXXXW KGIGHVIKVP DNYGDEIAIE DATA SEQUENCE LRSSVGXXXX XTHNFQVDFV WKSTSFDRMQ SALKTFAVDE TSVSGYIYHK DATA SEQUENCE LLGHEVEDVI IKCQLPKRFT AQGLPDLNHS QVYAVKTVLQ RPLSLIQGPP DATA SEQUENCE GTGKTVTSAT IVYHLARQGN GPVLVCAPSN IAVDQLTEKI HQTGLKVVRL DATA SEQUENCE CAKSREAIDS PVSFLALHNQ IRNMDSMPEL QKLQQLKDEX XXXSSADEKR DATA SEQUENCE YRALKRTAER ELLMNADVIC CTCVGAGDPR LAKMQFRSIL IDESTQATEP DATA SEQUENCE ECMVPVVLGA KQLILVGDHC QLGPVVMCKK AAKAGLSQSL FERLVVLGIR DATA SEQUENCE PIRLQVQYRM HPALSAFPSN IFYEGSLQNG VTAADRVKKG FDFQWPQPDK DATA SEQUENCE PMFFYVTQGQ EEIASSGTSY LNRTEAANVE KITTKLLKAG AKPDQIGIIT DATA SEQUENCE PYEGQRSYLV QYMQFSGSLH TKLYQEVEIA SVDAFQGREK DFIILSCVRA DATA SEQUENCE NEHQGIGFLN DPRRLNVALT RARYGVIIVG NPKALSKQPL WNHLLNYYKE DATA SEQUENCE QKVLVEGPLN NLRE 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 295 R HA 0.000 nan 4.340 nan 0.000 0.208 295 R C 0.000 176.292 176.300 -0.013 0.000 0.893 295 R CA 0.000 56.112 56.100 0.020 0.000 0.921 295 R CB 0.000 30.222 30.300 -0.130 0.000 0.687 296 Y N 1.972 122.361 120.300 0.148 0.000 2.262 296 Y HA 0.102 4.652 4.550 0.001 0.000 0.402 296 Y C 1.880 177.868 175.900 0.147 0.000 1.320 296 Y CA 0.201 58.392 58.100 0.151 0.000 1.895 296 Y CB 0.392 38.990 38.460 0.231 0.000 1.662 296 Y HN -0.136 nan 8.280 nan 0.000 0.671 297 E N -1.017 119.377 120.200 0.322 0.000 2.603 297 E HA 0.111 4.461 4.350 0.001 0.000 0.218 297 E C -0.810 175.994 176.600 0.340 0.000 0.878 297 E CA 0.236 56.788 56.400 0.254 0.000 1.348 297 E CB 0.894 30.631 29.700 0.062 0.000 1.318 297 E HN 0.534 nan 8.360 nan 0.000 0.673 298 D N -0.960 119.590 120.400 0.251 0.000 2.581 298 D HA 0.514 5.154 4.640 0.001 0.000 0.232 298 D C 0.393 176.720 176.300 0.044 0.000 1.143 298 D CA -0.078 54.027 54.000 0.175 0.000 0.881 298 D CB 1.871 42.803 40.800 0.221 0.000 1.500 298 D HN -0.101 nan 8.370 nan 0.000 0.458 299 A N 1.085 123.872 122.820 -0.055 0.000 1.898 299 A HA -0.132 4.189 4.320 0.001 0.000 0.216 299 A C 1.622 179.085 177.584 -0.202 0.000 1.181 299 A CA 1.347 53.168 52.037 -0.360 0.000 0.620 299 A CB -0.843 17.904 19.000 -0.421 0.000 0.819 299 A HN 0.684 nan 8.150 nan 0.000 0.442 300 Y N -0.553 119.759 120.300 0.020 0.000 2.263 300 Y HA -0.157 4.394 4.550 0.000 0.000 0.292 300 Y C 2.618 178.576 175.900 0.097 0.000 1.130 300 Y CA 1.593 59.730 58.100 0.062 0.000 1.179 300 Y CB -0.292 38.199 38.460 0.053 0.000 0.998 300 Y HN 0.431 nan 8.280 nan 0.000 0.532 301 Q N -0.864 119.098 119.800 0.271 0.000 2.291 301 Q HA -0.240 4.101 4.340 0.001 0.000 0.206 301 Q C 1.799 177.965 176.000 0.277 0.000 0.976 301 Q CA 1.363 57.314 55.803 0.247 0.000 0.875 301 Q CB -0.233 28.655 28.738 0.249 0.000 0.927 301 Q HN 0.636 nan 8.270 nan 0.000 0.450 302 Y N 0.540 120.883 120.300 0.071 0.000 2.153 302 Y HA -0.192 4.358 4.550 0.000 0.000 0.289 302 Y C 2.368 178.345 175.900 0.127 0.000 1.119 302 Y CA 2.048 60.142 58.100 -0.010 0.000 1.116 302 Y CB -0.216 38.154 38.460 -0.150 0.000 1.004 302 Y HN 0.102 nan 8.280 nan 0.000 0.501 303 Q N 0.705 120.630 119.800 0.208 0.000 2.135 303 Q HA -0.275 4.065 4.340 0.001 0.000 0.204 303 Q C 2.127 178.198 176.000 0.118 0.000 0.981 303 Q CA 1.792 57.691 55.803 0.160 0.000 0.856 303 Q CB -0.578 28.248 28.738 0.146 0.000 0.902 303 Q HN 0.706 nan 8.270 nan 0.000 0.425 304 N N 0.401 119.180 118.700 0.131 0.000 2.060 304 N HA -0.232 4.508 4.740 0.001 0.000 0.195 304 N C 2.071 177.614 175.510 0.055 0.000 1.028 304 N CA 1.853 54.968 53.050 0.110 0.000 0.861 304 N CB -0.287 38.281 38.487 0.136 0.000 1.029 304 N HN 0.498 nan 8.380 nan 0.000 0.428 305 I N -2.029 118.546 120.570 0.010 0.000 2.385 305 I HA 0.015 4.186 4.170 0.001 0.000 0.244 305 I C 1.687 177.711 176.117 -0.154 0.000 1.089 305 I CA 0.770 62.014 61.300 -0.093 0.000 1.410 305 I CB -0.535 37.390 38.000 -0.125 0.000 1.117 305 I HN -0.080 nan 8.210 nan 0.000 0.429 306 F N 1.988 121.844 119.950 -0.157 0.000 2.186 306 F HA 0.034 4.561 4.527 0.001 0.000 0.299 306 F C 2.599 178.375 175.800 -0.041 0.000 1.090 306 F CA 1.615 59.531 58.000 -0.140 0.000 1.307 306 F CB -0.953 37.877 39.000 -0.284 0.000 1.019 306 F HN 0.203 nan 8.300 nan 0.000 0.489 307 G N 0.834 109.726 108.800 0.153 0.000 2.511 307 G HA2 -0.230 3.730 3.960 0.001 0.000 0.216 307 G HA3 -0.230 3.730 3.960 0.001 0.000 0.216 307 G C -0.705 174.257 174.900 0.105 0.000 1.218 307 G CA 0.824 46.002 45.100 0.131 0.000 0.788 307 G HN 0.198 nan 8.290 nan 0.000 0.560 308 P HA -0.081 nan 4.420 nan 0.000 0.218 308 P C 1.890 179.219 177.300 0.050 0.000 1.146 308 P CA 1.089 64.221 63.100 0.052 0.000 0.813 308 P CB -0.165 31.553 31.700 0.032 0.000 0.778 309 L N -4.736 116.521 121.223 0.056 0.000 2.529 309 L HA 0.142 4.482 4.340 0.001 0.000 0.223 309 L C 1.649 178.586 176.870 0.111 0.000 1.113 309 L CA 0.930 55.803 54.840 0.055 0.000 0.861 309 L CB -0.874 41.187 42.059 0.003 0.000 1.012 309 L HN -0.282 nan 8.230 nan 0.000 0.461 310 V N -0.082 119.924 119.914 0.154 0.000 2.719 310 V HA -0.077 4.044 4.120 0.001 0.000 0.252 310 V C 2.606 178.787 176.094 0.144 0.000 1.065 310 V CA 1.508 63.930 62.300 0.203 0.000 1.086 310 V CB -0.509 31.459 31.823 0.241 0.000 0.700 310 V HN 0.423 nan 8.190 nan 0.000 0.467 311 K N -0.188 120.271 120.400 0.097 0.000 2.283 311 K HA -0.073 4.248 4.320 0.001 0.000 0.202 311 K C 1.771 178.376 176.600 0.008 0.000 1.048 311 K CA 0.858 57.175 56.287 0.050 0.000 0.948 311 K CB -0.081 32.451 32.500 0.052 0.000 0.742 311 K HN 0.196 nan 8.250 nan 0.000 0.458 312 L N 0.744 121.981 121.223 0.023 0.000 2.095 312 L HA -0.027 4.313 4.340 0.001 0.000 0.204 312 L C 2.066 178.941 176.870 0.009 0.000 1.080 312 L CA 1.569 56.419 54.840 0.016 0.000 0.759 312 L CB -0.834 41.235 42.059 0.017 0.000 0.914 312 L HN 0.144 nan 8.230 nan 0.000 0.439 313 E N -0.019 120.187 120.200 0.009 0.000 2.085 313 E HA -0.171 4.180 4.350 0.001 0.000 0.194 313 E C 2.238 178.690 176.600 -0.246 0.000 0.994 313 E CA 1.415 57.815 56.400 0.000 0.000 0.801 313 E CB -0.122 29.701 29.700 0.206 0.000 0.743 313 E HN 0.390 nan 8.360 nan 0.000 0.453 314 A N 1.310 123.836 122.820 -0.490 0.000 1.930 314 A HA -0.177 4.143 4.320 0.001 0.000 0.217 314 A C 1.768 179.148 177.584 -0.340 0.000 1.175 314 A CA 1.819 53.457 52.037 -0.664 0.000 0.627 314 A CB -0.312 18.466 19.000 -0.370 0.000 0.815 314 A HN 0.103 nan 8.150 nan 0.000 0.443 315 D N -1.856 118.416 120.400 -0.212 0.000 2.149 315 D HA -0.089 4.551 4.640 0.001 0.000 0.201 315 D C 1.670 177.867 176.300 -0.171 0.000 0.972 315 D CA 1.235 55.106 54.000 -0.215 0.000 0.835 315 D CB -0.500 40.231 40.800 -0.114 0.000 0.966 315 D HN 0.590 nan 8.370 nan 0.000 0.476 316 Y N 1.832 122.024 120.300 -0.179 0.000 2.114 316 Y HA -0.236 4.314 4.550 0.001 0.000 0.284 316 Y C 1.841 177.671 175.900 -0.115 0.000 1.143 316 Y CA 2.328 60.358 58.100 -0.116 0.000 1.135 316 Y CB -0.149 38.277 38.460 -0.056 0.000 0.980 316 Y HN 0.011 nan 8.280 nan 0.000 0.499 317 D N -0.519 119.954 120.400 0.122 0.000 2.234 317 D HA -0.166 4.474 4.640 0.001 0.000 0.205 317 D C 1.994 178.263 176.300 -0.052 0.000 0.962 317 D CA 1.217 55.298 54.000 0.134 0.000 0.855 317 D CB -0.455 40.542 40.800 0.328 0.000 0.951 317 D HN 0.349 nan 8.370 nan 0.000 0.500 318 K N 0.603 120.753 120.400 -0.417 0.000 2.097 318 K HA -0.146 4.174 4.320 0.001 0.000 0.206 318 K C 1.886 178.197 176.600 -0.482 0.000 1.049 318 K CA 1.034 56.747 56.287 -0.957 0.000 0.933 318 K CB 0.082 31.563 32.500 -1.699 0.000 0.717 318 K HN 0.029 nan 8.250 nan 0.000 0.442 319 K N 0.303 120.478 120.400 -0.376 0.000 2.076 319 K HA -0.092 4.228 4.320 0.001 0.000 0.204 319 K C 2.087 178.537 176.600 -0.251 0.000 1.051 319 K CA 0.793 56.907 56.287 -0.288 0.000 0.949 319 K CB -0.144 32.185 32.500 -0.285 0.000 0.726 319 K HN 0.088 nan 8.250 nan 0.000 0.443 320 L N 2.129 123.179 121.223 -0.288 0.000 2.012 320 L HA -0.188 4.152 4.340 0.001 0.000 0.210 320 L C 2.058 178.855 176.870 -0.122 0.000 1.073 320 L CA 1.912 56.614 54.840 -0.229 0.000 0.748 320 L CB -0.435 41.501 42.059 -0.204 0.000 0.891 320 L HN -0.086 nan 8.230 nan 0.000 0.431 321 K N 0.191 120.557 120.400 -0.057 0.000 2.032 321 K HA -0.186 4.135 4.320 0.001 0.000 0.209 321 K C 1.964 178.556 176.600 -0.013 0.000 1.048 321 K CA 1.966 58.265 56.287 0.021 0.000 0.927 321 K CB -0.234 32.376 32.500 0.183 0.000 0.712 321 K HN 0.507 nan 8.250 nan 0.000 0.441 322 E N -0.572 119.605 120.200 -0.038 0.000 2.472 322 E HA -0.069 4.281 4.350 0.001 0.000 0.200 322 E C 0.896 177.466 176.600 -0.050 0.000 1.046 322 E CA 0.824 57.208 56.400 -0.027 0.000 0.871 322 E CB 0.164 29.829 29.700 -0.058 0.000 0.806 322 E HN 0.186 nan 8.360 nan 0.000 0.533 323 S N 0.408 116.055 115.700 -0.088 0.000 2.556 323 S HA 0.041 4.511 4.470 0.001 0.000 0.216 323 S C 1.004 175.539 174.600 -0.108 0.000 0.970 323 S CA 0.014 58.158 58.200 -0.093 0.000 0.912 323 S CB 0.307 63.440 63.200 -0.112 0.000 0.790 323 S HN 0.219 nan 8.310 nan 0.000 0.504 324 Q N 0.992 120.697 119.800 -0.159 0.000 2.198 324 Q HA 0.212 4.552 4.340 0.001 0.000 0.209 324 Q C -0.308 175.574 176.000 -0.197 0.000 0.848 324 Q CA -0.067 55.578 55.803 -0.263 0.000 0.974 324 Q CB 0.395 28.816 28.738 -0.528 0.000 1.115 324 Q HN 0.122 nan 8.270 nan 0.000 0.494 325 T N 2.172 116.702 114.554 -0.039 0.000 2.871 325 T HA 0.018 4.368 4.350 0.001 0.000 0.296 325 T C -0.016 174.727 174.700 0.072 0.000 0.998 325 T CA 0.334 62.482 62.100 0.081 0.000 1.162 325 T CB 0.359 69.269 68.868 0.070 0.000 0.947 325 T HN 0.045 nan 8.240 nan 0.000 0.536 326 Q N 2.777 122.657 119.800 0.133 0.000 2.303 326 Q HA 0.192 4.533 4.340 0.001 0.000 0.257 326 Q C 1.163 177.211 176.000 0.080 0.000 0.941 326 Q CA -0.493 55.373 55.803 0.105 0.000 0.931 326 Q CB 1.010 29.838 28.738 0.150 0.000 1.215 326 Q HN 0.663 nan 8.270 nan 0.000 0.437 327 D N 1.978 122.411 120.400 0.055 0.000 2.103 327 D HA -0.150 4.491 4.640 0.001 0.000 0.199 327 D C -0.256 176.072 176.300 0.047 0.000 0.978 327 D CA 0.908 54.936 54.000 0.047 0.000 0.829 327 D CB 0.085 40.904 40.800 0.032 0.000 0.981 327 D HN 0.692 nan 8.370 nan 0.000 0.464 328 N N 0.735 119.456 118.700 0.035 0.000 2.716 328 N HA 0.182 4.922 4.740 0.001 0.000 0.245 328 N C -0.102 175.410 175.510 0.004 0.000 1.495 328 N CA -0.541 52.522 53.050 0.020 0.000 0.759 328 N CB 1.113 39.602 38.487 0.004 0.000 1.261 328 N HN 0.107 nan 8.380 nan 0.000 0.515 329 I N -0.616 119.958 120.570 0.007 0.000 2.834 329 I HA 0.475 4.646 4.170 0.001 0.000 0.305 329 I C -0.177 175.908 176.117 -0.053 0.000 1.008 329 I CA 0.127 61.425 61.300 -0.004 0.000 1.273 329 I CB 1.048 39.068 38.000 0.033 0.000 1.432 329 I HN 0.063 nan 8.210 nan 0.000 0.557 330 T N 5.224 119.739 114.554 -0.065 0.000 2.882 330 T HA 0.606 4.956 4.350 0.001 0.000 0.287 330 T C 0.226 174.878 174.700 -0.080 0.000 0.992 330 T CA -0.489 61.524 62.100 -0.146 0.000 1.076 330 T CB 1.579 70.322 68.868 -0.207 0.000 0.961 330 T HN 0.721 nan 8.240 nan 0.000 0.490 331 V N 0.761 120.593 119.914 -0.137 0.000 3.126 331 V HA 0.935 5.056 4.120 0.001 0.000 0.314 331 V C -1.081 174.999 176.094 -0.023 0.000 1.138 331 V CA -1.667 60.572 62.300 -0.101 0.000 1.034 331 V CB 2.062 33.670 31.823 -0.358 0.000 1.075 331 V HN 1.023 nan 8.190 nan 0.000 0.442 332 R N 1.943 122.464 120.500 0.035 0.000 2.564 332 R HA 0.407 4.748 4.340 0.001 0.000 0.284 332 R C -0.930 175.426 176.300 0.092 0.000 1.031 332 R CA -0.687 55.461 56.100 0.079 0.000 0.904 332 R CB 1.613 31.970 30.300 0.094 0.000 1.199 332 R HN 1.081 nan 8.270 nan 0.000 0.443 333 W N 6.602 127.860 121.300 -0.070 0.000 2.605 333 W HA 0.171 4.831 4.660 0.001 0.000 0.327 333 W C -1.725 174.774 176.519 -0.033 0.000 1.332 333 W CA 0.439 57.738 57.345 -0.077 0.000 1.403 333 W CB 0.468 29.865 29.460 -0.105 0.000 1.452 333 W HN 0.723 nan 8.180 nan 0.000 0.503 334 D N 3.753 123.880 120.400 -0.454 0.000 2.636 334 D HA 0.668 5.308 4.640 0.001 0.000 0.236 334 D C -0.474 175.392 176.300 -0.723 0.000 1.176 334 D CA -0.517 53.154 54.000 -0.548 0.000 1.081 334 D CB 1.352 42.017 40.800 -0.225 0.000 1.213 334 D HN 0.424 nan 8.370 nan 0.000 0.633 335 L N -2.085 118.875 121.223 -0.437 0.000 3.042 335 L HA 0.618 4.959 4.340 0.001 0.000 0.282 335 L C -0.969 175.772 176.870 -0.215 0.000 1.032 335 L CA -0.325 54.309 54.840 -0.343 0.000 1.001 335 L CB 2.012 43.852 42.059 -0.365 0.000 1.587 335 L HN 0.656 nan 8.230 nan 0.000 0.368 340 K N 3.498 123.885 120.400 -0.021 0.000 2.319 340 K HA 0.196 4.517 4.320 0.001 0.000 0.237 340 K C -0.267 176.309 176.600 -0.041 0.000 1.113 340 K CA -0.738 55.535 56.287 -0.023 0.000 1.072 340 K CB 0.373 32.857 32.500 -0.026 0.000 1.734 340 K HN 0.706 nan 8.250 nan 0.000 0.429 341 R N 1.252 121.734 120.500 -0.030 0.000 2.827 341 R HA 0.231 4.572 4.340 0.001 0.000 0.269 341 R C 0.494 176.744 176.300 -0.084 0.000 1.048 341 R CA -0.130 55.931 56.100 -0.064 0.000 1.173 341 R CB 0.603 30.888 30.300 -0.025 0.000 1.070 341 R HN 0.575 nan 8.270 nan 0.000 0.498 342 I N -1.304 119.175 120.570 -0.153 0.000 3.351 342 I HA 0.248 4.418 4.170 0.001 0.000 0.268 342 I C -0.453 175.468 176.117 -0.327 0.000 1.047 342 I CA 0.026 61.190 61.300 -0.226 0.000 1.570 342 I CB 0.130 37.966 38.000 -0.274 0.000 1.877 342 I HN 0.782 nan 8.210 nan 0.000 0.373 343 A N 0.968 123.521 122.820 -0.446 0.000 2.371 343 A HA 0.589 4.909 4.320 0.001 0.000 0.257 343 A C -1.452 176.063 177.584 -0.116 0.000 1.089 343 A CA 0.401 52.084 52.037 -0.590 0.000 0.794 343 A CB 0.158 18.909 19.000 -0.415 0.000 1.029 343 A HN 0.488 nan 8.150 nan 0.000 0.488 344 Y N -1.081 119.234 120.300 0.025 0.000 2.677 344 Y HA 0.523 5.074 4.550 0.001 0.000 0.334 344 Y C -0.773 175.205 175.900 0.129 0.000 1.196 344 Y CA -0.894 57.199 58.100 -0.010 0.000 1.059 344 Y CB 1.911 40.345 38.460 -0.043 0.000 1.315 344 Y HN 0.948 nan 8.280 nan 0.000 0.455 345 F N -1.761 118.321 119.950 0.221 0.000 2.693 345 F HA 0.805 5.332 4.527 0.001 0.000 0.309 345 F C -1.479 174.378 175.800 0.094 0.000 1.129 345 F CA -1.048 57.016 58.000 0.106 0.000 0.948 345 F CB 1.200 40.231 39.000 0.052 0.000 1.315 345 F HN 0.293 nan 8.300 nan 0.000 0.447 346 T N 2.765 117.485 114.554 0.277 0.000 2.859 346 T HA 0.714 5.064 4.350 0.001 0.000 0.281 346 T C -1.316 173.527 174.700 0.238 0.000 1.005 346 T CA -0.505 61.691 62.100 0.159 0.000 1.025 346 T CB 1.802 70.726 68.868 0.094 0.000 0.977 346 T HN 0.739 nan 8.240 nan 0.000 0.458 347 L N 3.548 124.880 121.223 0.181 0.000 2.386 347 L HA 0.536 4.877 4.340 0.001 0.000 0.271 347 L C -2.461 174.493 176.870 0.139 0.000 0.993 347 L CA -2.215 52.751 54.840 0.210 0.000 0.819 347 L CB 1.496 43.718 42.059 0.272 0.000 1.294 347 L HN 0.389 nan 8.230 nan 0.000 0.414 348 P HA -0.064 nan 4.420 nan 0.000 0.255 348 P C -1.192 176.151 177.300 0.072 0.000 1.151 348 P CA 0.253 63.398 63.100 0.076 0.000 0.767 348 P CB 0.000 31.737 31.700 0.061 0.000 0.736 349 K N 2.205 122.638 120.400 0.056 0.000 2.361 349 K HA 0.221 4.541 4.320 0.001 0.000 0.283 349 K C 0.068 176.691 176.600 0.037 0.000 1.078 349 K CA 0.470 56.791 56.287 0.057 0.000 1.041 349 K CB -0.352 32.181 32.500 0.055 0.000 0.932 349 K HN 0.301 nan 8.250 nan 0.000 0.462 350 T N 2.880 117.466 114.554 0.053 0.000 3.031 350 T HA 0.148 4.498 4.350 0.001 0.000 0.305 350 T C -0.984 173.752 174.700 0.060 0.000 0.985 350 T CA -1.257 60.865 62.100 0.037 0.000 1.008 350 T CB 0.802 69.680 68.868 0.016 0.000 1.005 350 T HN 0.566 nan 8.240 nan 0.000 0.444 351 D N 1.625 122.068 120.400 0.072 0.000 2.383 351 D HA 0.749 5.390 4.640 0.001 0.000 0.248 351 D C 0.489 176.826 176.300 0.062 0.000 1.170 351 D CA -0.573 53.473 54.000 0.077 0.000 0.977 351 D CB 1.064 41.917 40.800 0.087 0.000 1.120 351 D HN 0.395 nan 8.370 nan 0.000 0.481 352 S N -1.392 114.342 115.700 0.057 0.000 3.003 352 S HA 0.293 4.764 4.470 0.001 0.000 0.313 352 S C -0.872 173.762 174.600 0.056 0.000 1.230 352 S CA -0.494 57.740 58.200 0.058 0.000 0.977 352 S CB 0.749 63.987 63.200 0.064 0.000 1.340 352 S HN 0.518 nan 8.310 nan 0.000 0.608 353 D N 0.235 120.677 120.400 0.069 0.000 2.753 353 D HA 0.184 4.824 4.640 0.001 0.000 0.291 353 D C 0.069 176.418 176.300 0.081 0.000 1.075 353 D CA 0.177 54.219 54.000 0.070 0.000 0.946 353 D CB 0.362 41.206 40.800 0.073 0.000 1.376 353 D HN 0.399 nan 8.370 nan 0.000 0.482 354 M N 3.130 122.789 119.600 0.098 0.000 2.080 354 M HA 0.244 4.724 4.480 0.001 0.000 0.350 354 M C -0.559 175.807 176.300 0.111 0.000 1.143 354 M CA -0.421 54.944 55.300 0.108 0.000 1.064 354 M CB 0.612 33.292 32.600 0.133 0.000 1.429 354 M HN -0.190 nan 8.290 nan 0.000 0.418 355 R N 3.422 123.985 120.500 0.105 0.000 2.549 355 R HA 0.486 4.827 4.340 0.001 0.000 0.267 355 R C -0.398 175.986 176.300 0.141 0.000 1.045 355 R CA -0.965 55.205 56.100 0.117 0.000 1.115 355 R CB 0.851 31.212 30.300 0.102 0.000 1.121 355 R HN 0.702 nan 8.270 nan 0.000 0.543 356 L N 2.203 123.536 121.223 0.183 0.000 2.534 356 L HA 0.094 4.435 4.340 0.001 0.000 0.271 356 L C -0.575 176.358 176.870 0.105 0.000 1.178 356 L CA 0.729 55.678 54.840 0.182 0.000 0.907 356 L CB 0.245 42.445 42.059 0.235 0.000 1.164 356 L HN 0.610 nan 8.230 nan 0.000 0.482 357 M N 3.701 123.347 119.600 0.077 0.000 2.690 357 M HA 0.305 4.786 4.480 0.001 0.000 0.302 357 M C -0.634 175.688 176.300 0.036 0.000 1.234 357 M CA -0.602 54.730 55.300 0.054 0.000 0.853 357 M CB 2.182 34.813 32.600 0.053 0.000 1.748 357 M HN 0.457 nan 8.290 nan 0.000 0.469 358 Q N 0.505 120.325 119.800 0.035 0.000 2.262 358 Q HA 0.352 4.692 4.340 0.001 0.000 0.272 358 Q C 0.446 176.492 176.000 0.078 0.000 1.076 358 Q CA 1.102 56.932 55.803 0.046 0.000 0.905 358 Q CB 0.282 29.042 28.738 0.037 0.000 1.182 358 Q HN 0.944 nan 8.270 nan 0.000 0.390 359 G N 3.318 112.215 108.800 0.162 0.000 2.161 359 G HA2 -0.101 3.859 3.960 0.001 0.000 0.140 359 G HA3 -0.101 3.859 3.960 0.001 0.000 0.140 359 G C -0.868 174.135 174.900 0.172 0.000 1.040 359 G CA -0.570 44.666 45.100 0.226 0.000 0.735 359 G HN 0.601 nan 8.290 nan 0.000 0.496 360 D N 0.127 120.483 120.400 -0.073 0.000 2.575 360 D HA 0.532 5.173 4.640 0.001 0.000 0.236 360 D C -0.433 175.367 176.300 -0.833 0.000 1.075 360 D CA -0.376 53.467 54.000 -0.263 0.000 0.860 360 D CB 2.200 42.931 40.800 -0.115 0.000 1.475 360 D HN 0.268 nan 8.370 nan 0.000 0.474 361 E N 1.124 121.042 120.200 -0.470 0.000 2.191 361 E HA 0.613 4.963 4.350 0.001 0.000 0.274 361 E C -0.789 175.686 176.600 -0.208 0.000 0.948 361 E CA -0.514 55.657 56.400 -0.383 0.000 0.802 361 E CB 1.258 30.936 29.700 -0.036 0.000 1.137 361 E HN 0.341 nan 8.360 nan 0.000 0.397 362 I N 2.209 122.683 120.570 -0.159 0.000 3.042 362 I HA 0.454 4.625 4.170 0.001 0.000 0.310 362 I C -0.882 175.235 176.117 0.000 0.000 1.117 362 I CA -1.068 60.162 61.300 -0.115 0.000 1.003 362 I CB 2.159 40.059 38.000 -0.167 0.000 1.228 362 I HN 0.570 nan 8.210 nan 0.000 0.443 363 C N 4.215 123.533 119.300 0.030 0.000 2.898 363 C HA 0.715 5.175 4.460 0.001 0.000 0.304 363 C C -1.268 173.775 174.990 0.090 0.000 1.237 363 C CA -0.514 58.537 59.018 0.054 0.000 1.529 363 C CB 1.327 29.089 27.740 0.036 0.000 2.021 363 C HN 0.608 nan 8.230 nan 0.000 0.474 364 L N 5.721 127.018 121.223 0.123 0.000 2.349 364 L HA 0.609 4.949 4.340 0.001 0.000 0.278 364 L C 0.649 177.676 176.870 0.262 0.000 0.996 364 L CA -0.480 54.532 54.840 0.287 0.000 0.825 364 L CB 1.409 43.801 42.059 0.554 0.000 1.243 364 L HN 0.717 nan 8.230 nan 0.000 0.412 365 R N 1.529 122.175 120.500 0.244 0.000 1.728 365 R HA 0.333 4.674 4.340 0.001 0.000 0.126 365 R C -0.300 176.004 176.300 0.007 0.000 2.075 365 R CA -0.585 55.567 56.100 0.087 0.000 1.805 365 R CB -0.149 30.172 30.300 0.036 0.000 1.352 365 R HN 0.463 nan 8.270 nan 0.000 0.493 375 K N 3.913 123.688 120.400 -1.043 0.000 2.541 375 K HA 0.720 5.041 4.320 0.001 0.000 0.250 375 K C -0.590 175.167 176.600 -1.406 0.000 0.950 375 K CA -0.685 54.999 56.287 -1.005 0.000 0.805 375 K CB 1.650 33.877 32.500 -0.455 0.000 1.166 375 K HN 0.730 nan 8.250 nan 0.000 0.430 376 G N 4.424 112.358 108.800 -1.445 0.000 2.701 376 G HA2 0.437 4.397 3.960 0.001 0.000 0.300 376 G HA3 0.437 4.397 3.960 0.001 0.000 0.300 376 G C -0.350 174.436 174.900 -0.189 0.000 1.410 376 G CA -0.623 44.051 45.100 -0.710 0.000 1.014 376 G HN 0.378 nan 8.290 nan 0.000 0.509 377 I N 0.737 121.283 120.570 -0.040 0.000 4.846 377 I HA 0.846 5.016 4.170 0.001 0.000 0.181 377 I C 1.296 177.473 176.117 0.099 0.000 1.569 377 I CA 0.147 61.463 61.300 0.027 0.000 1.198 377 I CB -0.440 37.570 38.000 0.017 0.000 1.741 377 I HN 1.085 nan 8.210 nan 0.000 0.748 378 G N -0.101 108.757 108.800 0.097 0.000 2.371 378 G HA2 -0.005 3.955 3.960 0.001 0.000 0.663 378 G HA3 -0.005 3.955 3.960 0.001 0.000 0.663 378 G C -1.247 173.730 174.900 0.127 0.000 1.311 378 G CA -0.674 44.500 45.100 0.122 0.000 0.985 378 G HN 0.910 nan 8.290 nan 0.000 0.566 379 H N -0.962 118.118 119.070 0.017 0.000 2.821 379 H HA 0.586 5.143 4.556 0.000 0.000 0.373 379 H C 0.473 175.786 175.328 -0.026 0.000 1.165 379 H CA 0.084 56.126 56.048 -0.009 0.000 1.154 379 H CB 2.009 31.761 29.762 -0.017 0.000 1.765 379 H HN 1.157 nan 8.280 nan 0.000 0.549 380 V N 3.376 123.175 119.914 -0.191 0.000 2.485 380 V HA 0.050 4.170 4.120 0.001 0.000 0.287 380 V C 0.940 177.040 176.094 0.009 0.000 1.022 380 V CA 0.034 62.272 62.300 -0.103 0.000 1.067 380 V CB -0.322 31.401 31.823 -0.166 0.000 0.967 380 V HN 0.544 nan 8.190 nan 0.000 0.479 381 I N 1.943 122.488 120.570 -0.041 0.000 3.039 381 I HA 0.313 4.483 4.170 0.001 0.000 0.270 381 I C 1.139 177.229 176.117 -0.045 0.000 1.150 381 I CA 0.708 61.982 61.300 -0.044 0.000 1.448 381 I CB -0.395 37.550 38.000 -0.091 0.000 1.197 381 I HN 0.622 nan 8.210 nan 0.000 0.450 382 K N 2.843 123.206 120.400 -0.061 0.000 2.376 382 K HA 0.514 4.834 4.320 0.001 0.000 0.257 382 K C -1.105 175.497 176.600 0.002 0.000 0.939 382 K CA -0.262 56.033 56.287 0.014 0.000 0.809 382 K CB 2.761 35.353 32.500 0.153 0.000 1.121 382 K HN -0.041 nan 8.250 nan 0.000 0.425 383 V N 1.484 121.414 119.914 0.027 0.000 2.540 383 V HA 0.518 4.638 4.120 0.001 0.000 0.302 383 V C -2.613 173.514 176.094 0.054 0.000 1.035 383 V CA -2.716 59.601 62.300 0.029 0.000 0.873 383 V CB 1.261 33.104 31.823 0.032 0.000 0.992 383 V HN 0.559 nan 8.190 nan 0.000 0.428 384 P HA 0.094 nan 4.420 nan 0.000 0.261 384 P C -0.791 176.553 177.300 0.074 0.000 1.140 384 P CA 1.153 64.289 63.100 0.060 0.000 0.757 384 P CB 0.035 31.773 31.700 0.063 0.000 0.735 385 D N 0.530 120.976 120.400 0.078 0.000 2.755 385 D HA -0.026 4.615 4.640 0.001 0.000 0.277 385 D C -0.088 176.236 176.300 0.040 0.000 1.261 385 D CA -0.872 53.178 54.000 0.083 0.000 0.759 385 D CB -0.344 40.538 40.800 0.136 0.000 1.279 385 D HN 0.305 nan 8.370 nan 0.000 0.420 386 N N -1.203 117.456 118.700 -0.069 0.000 2.724 386 N HA -0.121 4.619 4.740 0.001 0.000 0.198 386 N C -0.409 174.828 175.510 -0.456 0.000 1.301 386 N CA 0.446 53.343 53.050 -0.255 0.000 0.942 386 N CB -0.550 37.763 38.487 -0.290 0.000 1.033 386 N HN 0.285 nan 8.380 nan 0.000 0.447 387 Y N 0.329 120.628 120.300 -0.003 0.000 2.602 387 Y HA 0.427 4.978 4.550 0.001 0.000 0.373 387 Y C 0.923 176.801 175.900 -0.037 0.000 0.960 387 Y CA -0.922 57.168 58.100 -0.018 0.000 1.281 387 Y CB 0.587 39.040 38.460 -0.011 0.000 1.308 387 Y HN 0.169 nan 8.280 nan 0.000 0.595 388 G N 1.144 109.964 108.800 0.033 0.000 2.623 388 G HA2 -0.227 3.733 3.960 0.001 0.000 0.281 388 G HA3 -0.227 3.733 3.960 0.001 0.000 0.281 388 G C -0.723 174.160 174.900 -0.028 0.000 1.087 388 G CA -0.696 44.398 45.100 -0.011 0.000 1.244 388 G HN 0.511 nan 8.290 nan 0.000 0.544 389 D N 1.442 121.840 120.400 -0.003 0.000 2.503 389 D HA 0.194 4.834 4.640 0.001 0.000 0.280 389 D C 0.948 177.235 176.300 -0.023 0.000 1.405 389 D CA 1.696 55.700 54.000 0.007 0.000 1.049 389 D CB 0.155 40.972 40.800 0.029 0.000 1.127 389 D HN 0.953 nan 8.370 nan 0.000 0.551 390 E N 0.503 120.676 120.200 -0.045 0.000 2.445 390 E HA 0.634 4.984 4.350 0.001 0.000 0.279 390 E C -1.123 175.456 176.600 -0.034 0.000 1.018 390 E CA -1.003 55.357 56.400 -0.068 0.000 0.816 390 E CB 1.178 30.784 29.700 -0.157 0.000 1.356 390 E HN 0.139 nan 8.360 nan 0.000 0.462 391 I N 0.916 121.395 120.570 -0.151 0.000 2.406 391 I HA 0.667 4.837 4.170 0.001 0.000 0.290 391 I C -0.754 175.067 176.117 -0.494 0.000 0.999 391 I CA -0.605 60.484 61.300 -0.352 0.000 1.124 391 I CB 1.769 39.414 38.000 -0.592 0.000 1.289 391 I HN 0.725 nan 8.210 nan 0.000 0.441 392 A N 7.554 130.190 122.820 -0.307 0.000 2.454 392 A HA 0.966 5.287 4.320 0.001 0.000 0.302 392 A C -0.898 176.544 177.584 -0.238 0.000 1.079 392 A CA -0.563 51.244 52.037 -0.383 0.000 0.731 392 A CB 1.639 20.156 19.000 -0.804 0.000 1.299 392 A HN 0.713 nan 8.150 nan 0.000 0.413 393 I N -1.759 118.739 120.570 -0.120 0.000 2.656 393 I HA 0.560 4.730 4.170 0.001 0.000 0.292 393 I C -0.505 175.624 176.117 0.019 0.000 1.144 393 I CA -0.515 60.777 61.300 -0.013 0.000 1.038 393 I CB 2.211 40.261 38.000 0.083 0.000 1.244 393 I HN 0.730 nan 8.210 nan 0.000 0.420 394 E N 5.421 125.640 120.200 0.032 0.000 1.941 394 E HA 0.292 4.643 4.350 0.001 0.000 0.275 394 E C -1.075 175.579 176.600 0.090 0.000 1.113 394 E CA -0.757 55.668 56.400 0.042 0.000 0.878 394 E CB 1.025 30.739 29.700 0.023 0.000 1.070 394 E HN 0.633 nan 8.360 nan 0.000 0.399 395 L N 4.850 126.148 121.223 0.124 0.000 2.455 395 L HA 0.053 4.393 4.340 0.001 0.000 0.272 395 L C 1.154 178.103 176.870 0.131 0.000 1.174 395 L CA 0.159 55.099 54.840 0.168 0.000 0.869 395 L CB 0.478 42.687 42.059 0.249 0.000 1.130 395 L HN 0.516 nan 8.230 nan 0.000 0.474 396 R N 1.421 121.989 120.500 0.114 0.000 2.310 396 R HA 0.116 4.456 4.340 0.001 0.000 0.202 396 R C 0.723 177.074 176.300 0.085 0.000 0.933 396 R CA 0.238 56.387 56.100 0.080 0.000 1.054 396 R CB -0.084 30.251 30.300 0.057 0.000 0.985 396 R HN 0.572 nan 8.270 nan 0.000 0.489 397 S N 0.423 116.198 115.700 0.124 0.000 2.661 397 S HA 0.080 4.551 4.470 0.001 0.000 0.245 397 S C -0.250 174.440 174.600 0.151 0.000 1.117 397 S CA -0.254 58.023 58.200 0.127 0.000 1.091 397 S CB -0.149 63.132 63.200 0.135 0.000 0.887 397 S HN 0.154 nan 8.310 nan 0.000 0.491 398 S N 1.349 117.134 115.700 0.141 0.000 3.232 398 S HA -0.151 4.319 4.470 0.001 0.000 0.301 398 S C 0.373 175.045 174.600 0.119 0.000 0.795 398 S CA 0.835 59.125 58.200 0.150 0.000 1.314 398 S CB -1.871 61.401 63.200 0.120 0.000 0.834 398 S HN 1.252 nan 8.310 nan 0.000 0.436 399 V N -1.763 118.238 119.914 0.145 0.000 5.791 399 V HA -0.255 3.865 4.120 0.001 0.000 0.241 399 V C 1.428 177.527 176.094 0.008 0.000 0.700 399 V CA 0.619 62.930 62.300 0.018 0.000 0.848 399 V CB -2.385 29.269 31.823 -0.282 0.000 0.947 399 V HN 0.844 nan 8.190 nan 0.000 0.423 407 H N 0.388 119.520 119.070 0.103 0.000 3.538 407 H HA 0.358 4.915 4.556 0.001 0.000 0.264 407 H C -0.480 174.883 175.328 0.059 0.000 1.146 407 H CA -0.498 55.575 56.048 0.042 0.000 1.097 407 H CB -0.621 29.137 29.762 -0.006 0.000 2.087 407 H HN 0.472 nan 8.280 nan 0.000 0.797 408 N N 1.156 119.899 118.700 0.073 0.000 2.609 408 N HA 0.234 4.974 4.740 0.001 0.000 0.234 408 N C -1.341 174.088 175.510 -0.135 0.000 1.001 408 N CA -0.197 52.768 53.050 -0.142 0.000 0.926 408 N CB 0.576 38.925 38.487 -0.230 0.000 1.130 408 N HN -0.088 nan 8.380 nan 0.000 0.510 409 F N 0.807 120.621 119.950 -0.226 0.000 2.656 409 F HA 0.480 5.007 4.527 0.000 0.000 0.394 409 F C 0.420 176.220 175.800 0.000 0.000 1.168 409 F CA -0.581 57.388 58.000 -0.052 0.000 1.135 409 F CB 0.769 39.760 39.000 -0.014 0.000 1.480 409 F HN 0.298 nan 8.300 nan 0.000 0.500 410 Q N 0.915 120.854 119.800 0.231 0.000 2.263 410 Q HA 0.531 4.871 4.340 0.001 0.000 0.266 410 Q C -2.137 173.935 176.000 0.120 0.000 1.002 410 Q CA -0.429 55.451 55.803 0.128 0.000 0.790 410 Q CB 2.417 31.213 28.738 0.098 0.000 1.272 410 Q HN 0.446 nan 8.270 nan 0.000 0.435 411 V N 4.124 124.090 119.914 0.087 0.000 2.435 411 V HA 0.420 4.540 4.120 0.001 0.000 0.290 411 V C -0.518 175.696 176.094 0.200 0.000 1.030 411 V CA -0.445 61.912 62.300 0.094 0.000 0.881 411 V CB 1.757 33.597 31.823 0.029 0.000 0.983 411 V HN 0.731 nan 8.190 nan 0.000 0.445 412 D N 3.497 124.009 120.400 0.187 0.000 2.350 412 D HA 0.421 5.061 4.640 0.001 0.000 0.245 412 D C -0.972 175.505 176.300 0.294 0.000 1.036 412 D CA -0.276 53.877 54.000 0.255 0.000 0.848 412 D CB 2.300 43.192 40.800 0.153 0.000 1.307 412 D HN 0.249 nan 8.370 nan 0.000 0.469 413 F N 1.267 121.272 119.950 0.091 0.000 2.335 413 F HA 0.147 4.675 4.527 0.001 0.000 0.365 413 F C 0.544 176.415 175.800 0.119 0.000 1.122 413 F CA -0.802 57.258 58.000 0.099 0.000 1.151 413 F CB 0.662 39.724 39.000 0.104 0.000 1.282 413 F HN -0.053 nan 8.300 nan 0.000 0.513 414 V N 3.185 123.218 119.914 0.198 0.000 2.694 414 V HA -0.183 3.937 4.120 0.001 0.000 0.306 414 V C -0.115 176.134 176.094 0.258 0.000 1.054 414 V CA -0.397 62.016 62.300 0.189 0.000 1.161 414 V CB 0.090 31.975 31.823 0.103 0.000 0.916 414 V HN 0.748 nan 8.190 nan 0.000 0.490 415 W N 6.204 127.566 121.300 0.104 0.000 2.338 415 W HA 0.480 5.140 4.660 0.000 0.000 0.307 415 W C -0.104 176.484 176.519 0.114 0.000 1.167 415 W CA -0.771 56.643 57.345 0.114 0.000 1.208 415 W CB 0.741 30.255 29.460 0.090 0.000 1.228 415 W HN 0.337 nan 8.180 nan 0.000 0.499 416 K N 3.671 123.691 120.400 -0.633 0.000 2.274 416 K HA 0.184 4.504 4.320 0.001 0.000 0.262 416 K C 0.568 176.499 176.600 -1.114 0.000 0.961 416 K CA -0.248 55.656 56.287 -0.638 0.000 0.833 416 K CB 1.803 34.146 32.500 -0.262 0.000 1.102 416 K HN 0.597 nan 8.250 nan 0.000 0.436 417 S N 0.178 115.281 115.700 -0.995 0.000 2.556 417 S HA -0.020 4.450 4.470 0.001 0.000 0.216 417 S C 1.173 175.691 174.600 -0.136 0.000 0.970 417 S CA 0.153 57.946 58.200 -0.679 0.000 0.912 417 S CB -0.009 62.922 63.200 -0.450 0.000 0.790 417 S HN 0.485 nan 8.310 nan 0.000 0.504 418 T N 2.295 116.738 114.554 -0.184 0.000 2.652 418 T HA -0.121 4.229 4.350 0.001 0.000 0.267 418 T C 1.975 176.605 174.700 -0.118 0.000 1.039 418 T CA 1.753 63.788 62.100 -0.109 0.000 1.153 418 T CB -0.789 68.014 68.868 -0.108 0.000 0.863 418 T HN 0.506 nan 8.240 nan 0.000 0.428 419 S N 0.412 115.976 115.700 -0.227 0.000 2.372 419 S HA -0.122 4.348 4.470 0.001 0.000 0.227 419 S C 1.672 176.039 174.600 -0.389 0.000 1.044 419 S CA 1.457 59.427 58.200 -0.384 0.000 1.050 419 S CB -0.510 62.300 63.200 -0.650 0.000 0.901 419 S HN 0.513 nan 8.310 nan 0.000 0.447 420 F N 1.364 121.318 119.950 0.006 0.000 2.187 420 F HA 0.062 4.589 4.527 0.000 0.000 0.295 420 F C 2.408 178.240 175.800 0.054 0.000 1.091 420 F CA 0.656 58.693 58.000 0.062 0.000 1.308 420 F CB -0.592 38.492 39.000 0.139 0.000 1.030 420 F HN 0.106 nan 8.300 nan 0.000 0.487 421 D N 0.423 120.943 120.400 0.201 0.000 2.158 421 D HA -0.154 4.486 4.640 0.001 0.000 0.197 421 D C 2.268 178.614 176.300 0.078 0.000 0.995 421 D CA 1.168 55.244 54.000 0.128 0.000 0.846 421 D CB -0.316 40.533 40.800 0.082 0.000 0.941 421 D HN 0.287 nan 8.370 nan 0.000 0.456 422 R N -0.251 120.269 120.500 0.033 0.000 2.062 422 R HA 0.057 4.397 4.340 0.001 0.000 0.229 422 R C 2.583 178.894 176.300 0.018 0.000 1.128 422 R CA 0.729 56.834 56.100 0.009 0.000 0.960 422 R CB -0.190 30.092 30.300 -0.031 0.000 0.855 422 R HN 0.186 nan 8.270 nan 0.000 0.432 423 M N 0.304 119.913 119.600 0.016 0.000 2.106 423 M HA -0.261 4.219 4.480 0.001 0.000 0.259 423 M C 2.344 178.689 176.300 0.075 0.000 1.068 423 M CA 1.688 57.008 55.300 0.033 0.000 1.100 423 M CB -0.239 32.389 32.600 0.047 0.000 1.351 423 M HN 0.047 nan 8.290 nan 0.000 0.404 424 Q N 0.388 120.254 119.800 0.109 0.000 2.002 424 Q HA -0.173 4.167 4.340 0.001 0.000 0.204 424 Q C 2.236 178.292 176.000 0.094 0.000 0.988 424 Q CA 2.567 58.440 55.803 0.116 0.000 0.843 424 Q CB -0.393 28.424 28.738 0.131 0.000 0.908 424 Q HN 0.594 nan 8.270 nan 0.000 0.420 425 S N -0.807 114.938 115.700 0.076 0.000 2.474 425 S HA -0.006 4.464 4.470 0.001 0.000 0.235 425 S C 1.904 176.540 174.600 0.060 0.000 0.997 425 S CA 0.806 59.044 58.200 0.064 0.000 0.949 425 S CB -0.260 62.970 63.200 0.050 0.000 0.766 425 S HN 0.406 nan 8.310 nan 0.000 0.517 426 A N 2.384 125.236 122.820 0.054 0.000 1.855 426 A HA 0.130 4.451 4.320 0.001 0.000 0.215 426 A C 2.276 179.919 177.584 0.098 0.000 1.191 426 A CA 1.511 53.575 52.037 0.044 0.000 0.613 426 A CB -0.944 18.062 19.000 0.010 0.000 0.829 426 A HN 0.567 nan 8.150 nan 0.000 0.442 427 L N -0.421 120.883 121.223 0.134 0.000 2.046 427 L HA -0.211 4.130 4.340 0.001 0.000 0.208 427 L C 2.568 179.546 176.870 0.180 0.000 1.077 427 L CA 1.986 56.964 54.840 0.229 0.000 0.747 427 L CB -0.565 41.616 42.059 0.203 0.000 0.896 427 L HN 0.449 nan 8.230 nan 0.000 0.432 428 K N 0.316 120.784 120.400 0.114 0.000 2.020 428 K HA -0.219 4.102 4.320 0.001 0.000 0.212 428 K C 2.131 178.758 176.600 0.044 0.000 1.050 428 K CA 2.356 58.685 56.287 0.071 0.000 0.929 428 K CB -0.229 32.315 32.500 0.073 0.000 0.714 428 K HN 0.429 nan 8.250 nan 0.000 0.443 429 T N 0.049 114.643 114.554 0.067 0.000 2.759 429 T HA -0.180 4.170 4.350 0.001 0.000 0.269 429 T C 1.681 176.442 174.700 0.101 0.000 1.042 429 T CA 1.091 63.225 62.100 0.057 0.000 1.140 429 T CB -0.572 68.325 68.868 0.047 0.000 0.864 429 T HN 0.198 nan 8.240 nan 0.000 0.455 430 F N 2.766 122.679 119.950 -0.061 0.000 2.250 430 F HA 0.105 4.632 4.527 0.000 0.000 0.301 430 F C 2.404 178.125 175.800 -0.132 0.000 1.077 430 F CA 0.115 58.066 58.000 -0.082 0.000 1.348 430 F CB -1.052 37.907 39.000 -0.069 0.000 1.040 430 F HN 0.266 nan 8.300 nan 0.000 0.509 431 A N -0.754 121.961 122.820 -0.175 0.000 1.859 431 A HA -0.007 4.313 4.320 0.001 0.000 0.212 431 A C 2.271 179.580 177.584 -0.460 0.000 1.238 431 A CA 1.236 52.915 52.037 -0.596 0.000 0.613 431 A CB -1.409 17.101 19.000 -0.816 0.000 0.904 431 A HN 0.183 nan 8.150 nan 0.000 0.457 432 V N 0.623 120.414 119.914 -0.205 0.000 2.548 432 V HA -0.056 4.064 4.120 0.001 0.000 0.249 432 V C 0.300 176.372 176.094 -0.037 0.000 1.055 432 V CA 1.999 64.272 62.300 -0.046 0.000 1.065 432 V CB -0.399 31.441 31.823 0.028 0.000 0.681 432 V HN 0.557 nan 8.190 nan 0.000 0.462 433 D N -0.220 120.153 120.400 -0.045 0.000 2.274 433 D HA 0.144 4.784 4.640 0.001 0.000 0.239 433 D C 0.892 177.145 176.300 -0.079 0.000 1.104 433 D CA -0.058 53.919 54.000 -0.038 0.000 0.840 433 D CB 1.670 42.463 40.800 -0.011 0.000 1.100 433 D HN 0.389 nan 8.370 nan 0.000 0.477 434 E N 1.398 121.541 120.200 -0.095 0.000 2.285 434 E HA -0.091 4.259 4.350 0.001 0.000 0.194 434 E C 0.973 177.500 176.600 -0.122 0.000 0.997 434 E CA 0.711 57.020 56.400 -0.152 0.000 0.845 434 E CB 0.363 29.988 29.700 -0.124 0.000 0.782 434 E HN 0.539 nan 8.360 nan 0.000 0.491 435 T N -2.041 112.471 114.554 -0.070 0.000 3.186 435 T HA 0.106 4.456 4.350 0.001 0.000 0.257 435 T C 1.438 176.119 174.700 -0.032 0.000 1.029 435 T CA 0.327 62.398 62.100 -0.048 0.000 0.916 435 T CB 0.525 69.369 68.868 -0.039 0.000 1.041 435 T HN 0.006 nan 8.240 nan 0.000 0.562 436 S N 1.159 116.845 115.700 -0.023 0.000 2.425 436 S HA 0.186 4.656 4.470 0.001 0.000 0.225 436 S C 0.696 175.293 174.600 -0.004 0.000 1.024 436 S CA 0.598 58.798 58.200 -0.000 0.000 0.951 436 S CB -0.409 62.815 63.200 0.041 0.000 0.796 436 S HN 0.812 nan 8.310 nan 0.000 0.498 437 V N -0.316 119.603 119.914 0.009 0.000 3.188 437 V HA 0.733 4.853 4.120 0.001 0.000 0.305 437 V C -0.234 175.879 176.094 0.032 0.000 1.232 437 V CA -0.722 61.589 62.300 0.018 0.000 1.043 437 V CB 1.147 32.987 31.823 0.028 0.000 1.068 437 V HN 0.368 nan 8.190 nan 0.000 0.439 438 S N 1.129 116.863 115.700 0.056 0.000 2.562 438 S HA 0.430 4.900 4.470 0.001 0.000 0.281 438 S C 1.530 176.203 174.600 0.121 0.000 1.333 438 S CA 0.225 58.472 58.200 0.078 0.000 1.052 438 S CB 0.850 64.111 63.200 0.103 0.000 0.884 438 S HN 2.137 nan 8.310 nan 0.000 0.506 439 G N 1.804 110.667 108.800 0.106 0.000 2.679 439 G HA2 -0.360 3.600 3.960 0.001 0.000 0.222 439 G HA3 -0.360 3.600 3.960 0.001 0.000 0.222 439 G C 1.056 176.116 174.900 0.266 0.000 1.164 439 G CA 1.601 46.794 45.100 0.155 0.000 0.769 439 G HN 0.957 nan 8.290 nan 0.000 0.610 440 Y N 1.098 121.495 120.300 0.161 0.000 2.128 440 Y HA -0.138 4.413 4.550 0.001 0.000 0.284 440 Y C 2.731 178.698 175.900 0.112 0.000 1.154 440 Y CA 1.552 59.746 58.100 0.156 0.000 1.149 440 Y CB -0.060 38.456 38.460 0.094 0.000 0.976 440 Y HN 0.150 nan 8.280 nan 0.000 0.505 441 I N -0.346 120.358 120.570 0.223 0.000 2.286 441 I HA -0.311 3.860 4.170 0.001 0.000 0.248 441 I C 2.223 178.346 176.117 0.011 0.000 1.115 441 I CA 1.529 62.880 61.300 0.085 0.000 1.392 441 I CB -1.695 36.359 38.000 0.090 0.000 1.065 441 I HN 0.364 nan 8.210 nan 0.000 0.418 442 Y N 2.061 122.310 120.300 -0.086 0.000 2.114 442 Y HA -0.268 4.282 4.550 0.001 0.000 0.284 442 Y C 2.954 178.670 175.900 -0.307 0.000 1.143 442 Y CA 1.881 59.894 58.100 -0.145 0.000 1.135 442 Y CB -0.521 37.783 38.460 -0.260 0.000 0.980 442 Y HN 0.229 nan 8.280 nan 0.000 0.499 443 H N -0.399 118.469 119.070 -0.337 0.000 2.326 443 H HA -0.094 4.462 4.556 0.001 0.000 0.301 443 H C 2.157 177.237 175.328 -0.413 0.000 1.081 443 H CA 1.794 57.508 56.048 -0.558 0.000 1.334 443 H CB -0.234 29.377 29.762 -0.252 0.000 1.385 443 H HN 0.176 nan 8.280 nan 0.000 0.504 444 K N 1.074 121.334 120.400 -0.232 0.000 2.211 444 K HA -0.027 4.293 4.320 0.001 0.000 0.203 444 K C 2.303 178.826 176.600 -0.128 0.000 1.050 444 K CA 0.412 56.568 56.287 -0.219 0.000 0.945 444 K CB -0.299 31.976 32.500 -0.374 0.000 0.732 444 K HN 0.155 nan 8.250 nan 0.000 0.451 445 L N -0.004 121.128 121.223 -0.151 0.000 2.156 445 L HA -0.074 4.266 4.340 0.001 0.000 0.208 445 L C 1.578 178.409 176.870 -0.065 0.000 1.095 445 L CA 0.830 55.603 54.840 -0.112 0.000 0.770 445 L CB -0.140 41.828 42.059 -0.152 0.000 0.914 445 L HN 0.181 nan 8.230 nan 0.000 0.439 446 L N -0.730 120.405 121.223 -0.147 0.000 2.599 446 L HA 0.150 4.490 4.340 0.001 0.000 0.230 446 L C 1.494 178.516 176.870 0.254 0.000 1.141 446 L CA 0.531 55.377 54.840 0.009 0.000 0.877 446 L CB -0.405 41.490 42.059 -0.274 0.000 1.009 446 L HN 0.430 nan 8.230 nan 0.000 0.447 447 G N -0.773 108.119 108.800 0.153 0.000 2.162 447 G HA2 -0.277 3.683 3.960 0.001 0.000 0.260 447 G HA3 -0.277 3.683 3.960 0.001 0.000 0.260 447 G C 0.296 175.309 174.900 0.187 0.000 0.976 447 G CA -0.113 45.085 45.100 0.163 0.000 0.655 447 G HN 0.528 nan 8.290 nan 0.000 0.533 448 H N 0.671 119.741 119.070 0.001 0.000 2.998 448 H HA 0.168 4.725 4.556 0.001 0.000 0.353 448 H C 0.583 175.886 175.328 -0.043 0.000 1.099 448 H CA 0.550 56.592 56.048 -0.010 0.000 1.393 448 H CB 0.684 30.460 29.762 0.024 0.000 1.343 448 H HN 0.437 nan 8.280 nan 0.000 0.609 449 E N 2.508 122.738 120.200 0.050 0.000 2.180 449 E HA 0.241 4.591 4.350 0.001 0.000 0.283 449 E C -1.279 175.309 176.600 -0.020 0.000 1.061 449 E CA -0.438 55.965 56.400 0.005 0.000 0.861 449 E CB 0.563 30.256 29.700 -0.011 0.000 1.056 449 E HN 0.200 nan 8.360 nan 0.000 0.407 450 V N 4.005 123.903 119.914 -0.028 0.000 2.876 450 V HA 0.143 4.264 4.120 0.001 0.000 0.312 450 V C -0.301 175.827 176.094 0.056 0.000 1.085 450 V CA -1.005 61.278 62.300 -0.029 0.000 0.945 450 V CB 1.950 33.716 31.823 -0.096 0.000 1.017 450 V HN 0.796 nan 8.190 nan 0.000 0.428 451 E N 3.177 123.425 120.200 0.080 0.000 2.414 451 E HA 0.040 4.390 4.350 0.001 0.000 0.263 451 E C -0.209 176.518 176.600 0.213 0.000 1.000 451 E CA -0.185 56.280 56.400 0.109 0.000 0.914 451 E CB 0.454 30.197 29.700 0.072 0.000 0.948 451 E HN 0.650 nan 8.360 nan 0.000 0.444 452 D N 2.684 123.192 120.400 0.179 0.000 2.478 452 D HA 0.016 4.657 4.640 0.001 0.000 0.234 452 D C -0.485 175.825 176.300 0.017 0.000 1.154 452 D CA 0.325 54.427 54.000 0.170 0.000 0.874 452 D CB 0.970 41.818 40.800 0.079 0.000 1.198 452 D HN 0.152 nan 8.370 nan 0.000 0.455 453 V N 2.510 122.271 119.914 -0.255 0.000 2.495 453 V HA 0.245 4.365 4.120 0.001 0.000 0.298 453 V C 0.020 175.957 176.094 -0.261 0.000 1.031 453 V CA -0.851 61.266 62.300 -0.304 0.000 0.871 453 V CB 1.656 33.197 31.823 -0.469 0.000 0.988 453 V HN 0.267 nan 8.190 nan 0.000 0.432 454 I N 5.404 125.889 120.570 -0.142 0.000 2.342 454 I HA 0.365 4.536 4.170 0.001 0.000 0.291 454 I C -0.077 175.980 176.117 -0.099 0.000 1.010 454 I CA -0.170 61.069 61.300 -0.101 0.000 1.308 454 I CB 0.449 38.416 38.000 -0.055 0.000 1.400 454 I HN 0.231 nan 8.210 nan 0.000 0.488 455 I N 5.081 125.597 120.570 -0.091 0.000 2.352 455 I HA 0.176 4.346 4.170 0.001 0.000 0.290 455 I C 0.560 176.652 176.117 -0.041 0.000 1.036 455 I CA -0.612 60.648 61.300 -0.067 0.000 1.336 455 I CB 0.723 38.686 38.000 -0.061 0.000 1.407 455 I HN 0.617 nan 8.210 nan 0.000 0.497 456 K N 6.425 126.806 120.400 -0.032 0.000 2.448 456 K HA 0.234 4.555 4.320 0.001 0.000 0.278 456 K C -0.448 176.142 176.600 -0.016 0.000 1.009 456 K CA 0.219 56.494 56.287 -0.021 0.000 0.995 456 K CB 0.333 32.822 32.500 -0.018 0.000 0.917 456 K HN 0.873 nan 8.250 nan 0.000 0.481 457 C N 1.662 120.955 119.300 -0.011 0.000 3.197 457 C HA 0.310 4.770 4.460 0.001 0.000 0.343 457 C C -1.830 173.155 174.990 -0.009 0.000 1.291 457 C CA -1.215 57.797 59.018 -0.009 0.000 1.191 457 C CB 1.117 28.853 27.740 -0.006 0.000 1.444 457 C HN 0.672 nan 8.230 nan 0.000 0.468 458 Q N 1.879 121.671 119.800 -0.014 0.000 2.349 458 Q HA 0.440 4.781 4.340 0.001 0.000 0.254 458 Q C -0.241 175.736 176.000 -0.038 0.000 0.980 458 Q CA 0.064 55.855 55.803 -0.021 0.000 0.924 458 Q CB 1.305 30.029 28.738 -0.024 0.000 1.209 458 Q HN 0.759 nan 8.270 nan 0.000 0.445 459 L N 5.795 126.996 121.223 -0.037 0.000 2.455 459 L HA 0.114 4.454 4.340 0.001 0.000 0.272 459 L C -1.480 175.265 176.870 -0.208 0.000 1.174 459 L CA -1.227 53.558 54.840 -0.091 0.000 0.869 459 L CB 0.090 42.166 42.059 0.029 0.000 1.130 459 L HN 0.310 nan 8.230 nan 0.000 0.474 460 P HA 0.092 nan 4.420 nan 0.000 0.272 460 P C -0.198 176.808 177.300 -0.490 0.000 1.230 460 P CA -0.388 62.488 63.100 -0.373 0.000 0.788 460 P CB 1.154 32.641 31.700 -0.355 0.000 0.949 461 K N 0.510 120.759 120.400 -0.251 0.000 2.007 461 K HA -0.038 4.283 4.320 0.001 0.000 0.206 461 K C 0.787 177.282 176.600 -0.174 0.000 1.047 461 K CA 1.101 57.288 56.287 -0.166 0.000 0.937 461 K CB -0.074 32.386 32.500 -0.066 0.000 0.718 461 K HN 0.290 nan 8.250 nan 0.000 0.438 462 R N 0.110 120.531 120.500 -0.131 0.000 2.308 462 R HA 0.137 4.478 4.340 0.001 0.000 0.305 462 R C 0.344 176.575 176.300 -0.115 0.000 1.053 462 R CA 0.072 56.143 56.100 -0.048 0.000 0.957 462 R CB 0.294 30.598 30.300 0.007 0.000 1.022 462 R HN 0.068 nan 8.270 nan 0.000 0.461 463 F N -0.424 119.561 119.950 0.057 0.000 2.619 463 F HA 0.106 4.633 4.527 0.001 0.000 0.293 463 F C 0.943 176.852 175.800 0.181 0.000 1.119 463 F CA 0.291 58.321 58.000 0.049 0.000 1.445 463 F CB 0.331 39.314 39.000 -0.028 0.000 1.119 463 F HN 0.351 nan 8.300 nan 0.000 0.573 464 T N 1.202 115.895 114.554 0.232 0.000 2.903 464 T HA 0.374 4.724 4.350 0.001 0.000 0.314 464 T C 0.131 174.827 174.700 -0.008 0.000 1.078 464 T CA -0.074 62.083 62.100 0.094 0.000 1.114 464 T CB 0.784 69.664 68.868 0.021 0.000 0.987 464 T HN 0.152 nan 8.240 nan 0.000 0.548 465 A N 2.418 125.126 122.820 -0.187 0.000 2.330 465 A HA 0.482 4.802 4.320 0.001 0.000 0.327 465 A C 1.014 178.318 177.584 -0.467 0.000 1.155 465 A CA -0.711 50.981 52.037 -0.575 0.000 0.803 465 A CB 0.753 19.237 19.000 -0.859 0.000 1.208 465 A HN 0.962 nan 8.150 nan 0.000 0.477 466 Q N 1.068 120.558 119.800 -0.515 0.000 2.643 466 Q HA -0.339 4.002 4.340 0.001 0.000 0.343 466 Q C 1.315 177.190 176.000 -0.208 0.000 0.795 466 Q CA 2.511 58.128 55.803 -0.311 0.000 1.005 466 Q CB -0.651 27.898 28.738 -0.316 0.000 1.081 466 Q HN 1.081 nan 8.270 nan 0.000 0.785 467 G N 0.102 108.782 108.800 -0.200 0.000 3.591 467 G HA2 0.448 4.409 3.960 0.001 0.000 0.282 467 G HA3 0.448 4.409 3.960 0.001 0.000 0.282 467 G C -0.234 174.598 174.900 -0.115 0.000 1.238 467 G CA -0.143 44.881 45.100 -0.126 0.000 0.993 467 G HN 0.021 nan 8.290 nan 0.000 0.542 468 L N -0.472 120.668 121.223 -0.138 0.000 2.333 468 L HA 0.465 4.806 4.340 0.001 0.000 0.263 468 L C -2.207 174.600 176.870 -0.105 0.000 1.014 468 L CA -2.326 52.445 54.840 -0.115 0.000 0.820 468 L CB 2.371 44.354 42.059 -0.126 0.000 1.352 468 L HN -0.125 nan 8.230 nan 0.000 0.421 469 P HA 0.026 nan 4.420 nan 0.000 0.269 469 P C -1.358 175.879 177.300 -0.105 0.000 1.211 469 P CA -0.105 62.925 63.100 -0.117 0.000 0.781 469 P CB 0.338 31.948 31.700 -0.151 0.000 0.877 470 D N 0.216 120.552 120.400 -0.107 0.000 2.329 470 D HA 0.276 4.917 4.640 0.001 0.000 0.246 470 D C -0.393 175.852 176.300 -0.091 0.000 1.111 470 D CA -0.133 53.819 54.000 -0.080 0.000 0.941 470 D CB 0.202 40.960 40.800 -0.070 0.000 1.169 470 D HN 0.023 nan 8.370 nan 0.000 0.441 471 L N 1.979 123.169 121.223 -0.054 0.000 2.325 471 L HA 0.312 4.653 4.340 0.001 0.000 0.279 471 L C 0.921 177.741 176.870 -0.082 0.000 1.054 471 L CA -0.648 54.163 54.840 -0.048 0.000 0.804 471 L CB 0.321 42.377 42.059 -0.004 0.000 1.200 471 L HN 0.536 nan 8.230 nan 0.000 0.436 472 N N 1.427 120.091 118.700 -0.060 0.000 2.322 472 N HA 0.063 4.803 4.740 0.001 0.000 0.270 472 N C 0.601 176.041 175.510 -0.116 0.000 1.286 472 N CA -0.724 52.256 53.050 -0.116 0.000 0.948 472 N CB 0.657 39.155 38.487 0.017 0.000 1.164 472 N HN 0.463 nan 8.380 nan 0.000 0.551 473 H N -0.318 118.769 119.070 0.028 0.000 2.353 473 H HA -0.110 4.447 4.556 0.001 0.000 0.300 473 H C 2.415 177.763 175.328 0.034 0.000 1.090 473 H CA 2.062 58.118 56.048 0.012 0.000 1.327 473 H CB -0.325 29.432 29.762 -0.009 0.000 1.383 473 H HN 0.712 nan 8.280 nan 0.000 0.508 474 S N 0.939 116.728 115.700 0.149 0.000 2.368 474 S HA -0.196 4.274 4.470 0.001 0.000 0.225 474 S C 2.051 176.729 174.600 0.130 0.000 1.030 474 S CA 1.157 59.437 58.200 0.133 0.000 0.999 474 S CB -0.347 62.905 63.200 0.086 0.000 0.844 474 S HN 0.441 nan 8.310 nan 0.000 0.459 475 Q N 0.767 120.614 119.800 0.079 0.000 2.020 475 Q HA -0.020 4.321 4.340 0.001 0.000 0.202 475 Q C 2.470 178.481 176.000 0.019 0.000 0.982 475 Q CA 1.629 57.460 55.803 0.048 0.000 0.838 475 Q CB -0.634 28.124 28.738 0.033 0.000 0.899 475 Q HN 0.457 nan 8.270 nan 0.000 0.423 476 V N 0.442 120.357 119.914 0.002 0.000 2.250 476 V HA -0.327 3.794 4.120 0.001 0.000 0.250 476 V C 2.023 178.024 176.094 -0.154 0.000 1.060 476 V CA 2.270 64.513 62.300 -0.095 0.000 1.030 476 V CB -0.710 31.060 31.823 -0.089 0.000 0.643 476 V HN 0.425 nan 8.190 nan 0.000 0.445 477 Y N 1.143 121.359 120.300 -0.140 0.000 2.224 477 Y HA -0.188 4.363 4.550 0.001 0.000 0.289 477 Y C 2.317 178.155 175.900 -0.103 0.000 1.146 477 Y CA 1.424 59.444 58.100 -0.134 0.000 1.182 477 Y CB -0.627 37.793 38.460 -0.066 0.000 0.983 477 Y HN 0.153 nan 8.280 nan 0.000 0.524 478 A N -0.333 122.420 122.820 -0.111 0.000 1.865 478 A HA -0.198 4.123 4.320 0.001 0.000 0.217 478 A C 2.368 179.850 177.584 -0.171 0.000 1.191 478 A CA 2.378 54.324 52.037 -0.151 0.000 0.623 478 A CB -1.413 17.581 19.000 -0.010 0.000 0.826 478 A HN 0.340 nan 8.150 nan 0.000 0.444 479 V N 0.272 120.116 119.914 -0.116 0.000 2.261 479 V HA -0.291 3.829 4.120 0.001 0.000 0.246 479 V C 2.583 178.603 176.094 -0.123 0.000 1.047 479 V CA 2.498 64.763 62.300 -0.057 0.000 1.015 479 V CB -0.698 31.150 31.823 0.041 0.000 0.642 479 V HN 0.718 nan 8.190 nan 0.000 0.446 480 K N -0.405 119.802 120.400 -0.323 0.000 2.032 480 K HA -0.207 4.113 4.320 0.001 0.000 0.209 480 K C 2.192 178.657 176.600 -0.225 0.000 1.048 480 K CA 2.175 58.251 56.287 -0.352 0.000 0.927 480 K CB -0.355 31.747 32.500 -0.663 0.000 0.712 480 K HN 0.508 nan 8.250 nan 0.000 0.441 481 T N 0.727 115.054 114.554 -0.378 0.000 2.701 481 T HA -0.115 4.236 4.350 0.001 0.000 0.263 481 T C 1.875 176.456 174.700 -0.198 0.000 1.040 481 T CA 1.343 63.227 62.100 -0.359 0.000 1.147 481 T CB -0.262 68.198 68.868 -0.680 0.000 0.865 481 T HN 0.008 nan 8.240 nan 0.000 0.426 482 V N 1.566 121.376 119.914 -0.173 0.000 2.370 482 V HA -0.160 3.960 4.120 0.001 0.000 0.252 482 V C 2.323 178.390 176.094 -0.044 0.000 1.068 482 V CA 1.570 63.820 62.300 -0.082 0.000 1.061 482 V CB -0.559 31.235 31.823 -0.047 0.000 0.656 482 V HN 0.467 nan 8.190 nan 0.000 0.455 483 L N -0.989 120.215 121.223 -0.031 0.000 2.551 483 L HA -0.082 4.259 4.340 0.001 0.000 0.228 483 L C 2.108 178.970 176.870 -0.013 0.000 1.153 483 L CA 0.958 55.798 54.840 0.000 0.000 0.851 483 L CB -0.247 41.829 42.059 0.029 0.000 0.959 483 L HN 0.420 nan 8.230 nan 0.000 0.451 484 Q N -0.969 118.810 119.800 -0.035 0.000 2.217 484 Q HA 0.215 4.555 4.340 0.001 0.000 0.217 484 Q C 0.102 176.065 176.000 -0.061 0.000 0.844 484 Q CA -0.046 55.733 55.803 -0.040 0.000 0.957 484 Q CB 1.084 29.799 28.738 -0.037 0.000 1.127 484 Q HN 0.336 nan 8.270 nan 0.000 0.503 485 R N 0.660 121.122 120.500 -0.064 0.000 2.740 485 R HA 0.241 4.581 4.340 0.001 0.000 0.282 485 R C -1.957 174.302 176.300 -0.069 0.000 0.969 485 R CA -1.883 54.168 56.100 -0.082 0.000 0.918 485 R CB 1.324 31.591 30.300 -0.055 0.000 1.175 485 R HN -0.150 nan 8.270 nan 0.000 0.464 486 P HA -0.073 nan 4.420 nan 0.000 0.221 486 P C -0.134 177.206 177.300 0.067 0.000 1.150 486 P CA 1.076 64.152 63.100 -0.039 0.000 0.800 486 P CB 0.816 32.433 31.700 -0.138 0.000 0.787 487 L N -0.794 120.489 121.223 0.100 0.000 2.470 487 L HA 0.406 4.746 4.340 0.001 0.000 0.268 487 L C -1.071 175.828 176.870 0.048 0.000 0.964 487 L CA -0.291 54.603 54.840 0.091 0.000 0.839 487 L CB 2.213 44.353 42.059 0.136 0.000 1.276 487 L HN -0.234 nan 8.230 nan 0.000 0.403 488 S N 4.375 120.088 115.700 0.021 0.000 2.564 488 S HA 0.713 5.183 4.470 0.001 0.000 0.274 488 S C -1.108 173.495 174.600 0.005 0.000 1.124 488 S CA -0.618 57.585 58.200 0.004 0.000 0.869 488 S CB 2.262 65.460 63.200 -0.002 0.000 1.105 488 S HN 0.418 nan 8.310 nan 0.000 0.472 489 L N 2.334 123.549 121.223 -0.012 0.000 2.365 489 L HA 0.670 5.010 4.340 0.001 0.000 0.273 489 L C -1.154 175.794 176.870 0.129 0.000 1.000 489 L CA -0.666 54.183 54.840 0.016 0.000 0.819 489 L CB 1.440 43.327 42.059 -0.287 0.000 1.284 489 L HN 0.524 nan 8.230 nan 0.000 0.418 490 I N 2.552 123.282 120.570 0.266 0.000 2.439 490 I HA 0.246 4.416 4.170 0.001 0.000 0.283 490 I C -0.375 175.897 176.117 0.259 0.000 1.023 490 I CA -0.308 61.114 61.300 0.202 0.000 1.100 490 I CB 2.041 40.109 38.000 0.113 0.000 1.238 490 I HN 0.639 nan 8.210 nan 0.000 0.445 491 Q N 4.938 124.887 119.800 0.248 0.000 2.279 491 Q HA 0.549 4.889 4.340 0.001 0.000 0.256 491 Q C -0.209 175.806 176.000 0.025 0.000 0.937 491 Q CA -0.484 55.410 55.803 0.152 0.000 0.933 491 Q CB 1.585 30.445 28.738 0.203 0.000 1.189 491 Q HN 0.852 nan 8.270 nan 0.000 0.417 492 G N 5.134 113.901 108.800 -0.055 0.000 3.114 492 G HA2 0.411 4.371 3.960 0.001 0.000 0.320 492 G HA3 0.411 4.371 3.960 0.001 0.000 0.320 492 G C -2.806 172.000 174.900 -0.158 0.000 1.453 492 G CA -1.201 43.846 45.100 -0.088 0.000 1.084 492 G HN 0.499 nan 8.290 nan 0.000 0.516 493 P HA 0.153 nan 4.420 nan 0.000 0.271 493 P C -2.505 174.619 177.300 -0.292 0.000 1.233 493 P CA -1.107 61.723 63.100 -0.449 0.000 0.789 493 P CB 0.159 31.262 31.700 -0.995 0.000 0.951 494 P HA -0.049 nan 4.420 nan 0.000 0.263 494 P C 0.867 178.088 177.300 -0.132 0.000 1.175 494 P CA 1.673 64.688 63.100 -0.141 0.000 0.761 494 P CB -0.242 31.398 31.700 -0.100 0.000 0.794 495 G N 2.729 111.481 108.800 -0.080 0.000 2.296 495 G HA2 -0.315 3.646 3.960 0.001 0.000 0.282 495 G HA3 -0.315 3.646 3.960 0.001 0.000 0.282 495 G C 0.762 175.652 174.900 -0.016 0.000 1.014 495 G CA 0.855 45.929 45.100 -0.042 0.000 0.812 495 G HN 0.650 nan 8.290 nan 0.000 0.508 496 T N -3.066 111.460 114.554 -0.047 0.000 3.107 496 T HA 0.458 4.808 4.350 0.001 0.000 0.249 496 T C 1.861 176.592 174.700 0.051 0.000 1.096 496 T CA 1.041 63.129 62.100 -0.020 0.000 1.012 496 T CB 0.470 69.276 68.868 -0.104 0.000 0.977 496 T HN 2.118 nan 8.240 nan 0.000 0.527 497 G N 1.901 110.723 108.800 0.036 0.000 2.203 497 G HA2 -0.255 3.706 3.960 0.001 0.000 0.231 497 G HA3 -0.255 3.706 3.960 0.001 0.000 0.231 497 G C 0.557 175.459 174.900 0.002 0.000 1.058 497 G CA 0.198 45.313 45.100 0.024 0.000 0.781 497 G HN 0.574 nan 8.290 nan 0.000 0.496 498 K N -0.197 120.196 120.400 -0.011 0.000 1.991 498 K HA -0.120 4.200 4.320 0.001 0.000 0.212 498 K C 2.886 179.481 176.600 -0.008 0.000 1.049 498 K CA 2.247 58.526 56.287 -0.014 0.000 0.932 498 K CB -0.503 31.977 32.500 -0.033 0.000 0.717 498 K HN 0.640 nan 8.250 nan 0.000 0.441 499 T N -0.482 114.063 114.554 -0.015 0.000 2.867 499 T HA -0.072 4.278 4.350 0.001 0.000 0.268 499 T C 2.103 176.799 174.700 -0.008 0.000 1.057 499 T CA 1.013 63.105 62.100 -0.013 0.000 1.136 499 T CB -0.530 68.327 68.868 -0.019 0.000 0.874 499 T HN -0.029 nan 8.240 nan 0.000 0.466 500 V N 2.160 122.065 119.914 -0.015 0.000 2.255 500 V HA -0.205 3.915 4.120 0.001 0.000 0.247 500 V C 3.087 179.180 176.094 -0.001 0.000 1.051 500 V CA 2.532 64.820 62.300 -0.020 0.000 1.018 500 V CB -1.277 30.522 31.823 -0.041 0.000 0.641 500 V HN 0.627 nan 8.190 nan 0.000 0.445 501 T N -0.244 114.315 114.554 0.009 0.000 2.708 501 T HA -0.186 4.164 4.350 0.001 0.000 0.266 501 T C 2.087 176.814 174.700 0.045 0.000 1.037 501 T CA 1.833 63.951 62.100 0.030 0.000 1.146 501 T CB -0.348 68.537 68.868 0.028 0.000 0.865 501 T HN 0.537 nan 8.240 nan 0.000 0.435 502 S N 1.896 117.614 115.700 0.031 0.000 2.359 502 S HA -0.091 4.379 4.470 0.001 0.000 0.224 502 S C 2.634 177.261 174.600 0.046 0.000 1.035 502 S CA 1.061 59.282 58.200 0.035 0.000 1.018 502 S CB -0.759 62.451 63.200 0.017 0.000 0.876 502 S HN 0.611 nan 8.310 nan 0.000 0.448 503 A N 1.514 124.354 122.820 0.034 0.000 1.940 503 A HA -0.132 4.189 4.320 0.001 0.000 0.219 503 A C 2.337 179.962 177.584 0.069 0.000 1.176 503 A CA 2.078 54.139 52.037 0.040 0.000 0.631 503 A CB -1.370 17.640 19.000 0.016 0.000 0.814 503 A HN 0.510 nan 8.150 nan 0.000 0.446 504 T N 0.247 114.841 114.554 0.066 0.000 2.777 504 T HA -0.088 4.262 4.350 0.001 0.000 0.266 504 T C 1.776 176.629 174.700 0.255 0.000 1.040 504 T CA 1.489 63.656 62.100 0.111 0.000 1.141 504 T CB -0.411 68.527 68.868 0.116 0.000 0.868 504 T HN 0.425 nan 8.240 nan 0.000 0.444 505 I N 0.932 121.621 120.570 0.199 0.000 2.163 505 I HA -0.166 4.004 4.170 0.001 0.000 0.243 505 I C 2.476 178.702 176.117 0.182 0.000 1.085 505 I CA 0.997 62.419 61.300 0.202 0.000 1.347 505 I CB -0.477 37.589 38.000 0.111 0.000 1.044 505 I HN 0.073 nan 8.210 nan 0.000 0.408 506 V N -0.005 119.983 119.914 0.124 0.000 2.407 506 V HA -0.325 3.795 4.120 0.001 0.000 0.248 506 V C 2.246 178.390 176.094 0.084 0.000 1.055 506 V CA 1.961 64.311 62.300 0.084 0.000 1.049 506 V CB -0.903 30.953 31.823 0.055 0.000 0.662 506 V HN 0.434 nan 8.190 nan 0.000 0.455 507 Y N 0.694 120.968 120.300 -0.044 0.000 2.097 507 Y HA -0.293 4.257 4.550 0.001 0.000 0.282 507 Y C 2.790 178.602 175.900 -0.147 0.000 1.152 507 Y CA 2.228 60.249 58.100 -0.132 0.000 1.136 507 Y CB -0.428 37.894 38.460 -0.230 0.000 0.975 507 Y HN 0.328 nan 8.280 nan 0.000 0.498 508 H N -0.076 119.089 119.070 0.158 0.000 2.387 508 H HA -0.151 4.405 4.556 0.001 0.000 0.299 508 H C 2.394 177.696 175.328 -0.043 0.000 1.090 508 H CA 1.917 57.988 56.048 0.038 0.000 1.332 508 H CB -0.447 29.382 29.762 0.113 0.000 1.386 508 H HN 0.405 nan 8.280 nan 0.000 0.516 509 L N 0.140 121.422 121.223 0.098 0.000 2.131 509 L HA -0.121 4.219 4.340 0.001 0.000 0.210 509 L C 2.817 179.675 176.870 -0.021 0.000 1.092 509 L CA 0.860 55.725 54.840 0.041 0.000 0.759 509 L CB -0.334 41.754 42.059 0.048 0.000 0.903 509 L HN 0.211 nan 8.230 nan 0.000 0.435 510 A N -0.299 122.475 122.820 -0.077 0.000 1.929 510 A HA -0.109 4.211 4.320 0.001 0.000 0.216 510 A C 2.298 179.778 177.584 -0.173 0.000 1.176 510 A CA 0.790 52.756 52.037 -0.118 0.000 0.628 510 A CB -0.308 18.608 19.000 -0.140 0.000 0.816 510 A HN 0.261 nan 8.150 nan 0.000 0.444 511 R N -0.191 120.148 120.500 -0.269 0.000 2.241 511 R HA -0.113 4.227 4.340 0.001 0.000 0.224 511 R C 1.720 177.950 176.300 -0.116 0.000 1.101 511 R CA 1.166 57.120 56.100 -0.244 0.000 0.995 511 R CB -0.301 29.811 30.300 -0.313 0.000 0.870 511 R HN 0.676 nan 8.270 nan 0.000 0.463 512 Q N 0.013 119.769 119.800 -0.074 0.000 2.500 512 Q HA 0.013 4.354 4.340 0.001 0.000 0.213 512 Q C 0.351 176.326 176.000 -0.042 0.000 0.974 512 Q CA 0.483 56.261 55.803 -0.041 0.000 0.918 512 Q CB 0.205 28.932 28.738 -0.018 0.000 0.980 512 Q HN 0.438 nan 8.270 nan 0.000 0.505 513 G N 2.805 111.573 108.800 -0.054 0.000 2.330 513 G HA2 -0.257 3.703 3.960 0.001 0.000 0.239 513 G HA3 -0.257 3.703 3.960 0.001 0.000 0.239 513 G C -0.401 174.480 174.900 -0.033 0.000 0.818 513 G CA 0.388 45.460 45.100 -0.046 0.000 1.189 513 G HN 0.339 nan 8.290 nan 0.000 0.337 514 N N 0.741 119.425 118.700 -0.027 0.000 3.906 514 N HA 0.471 5.211 4.740 0.001 0.000 0.132 514 N C 0.743 176.246 175.510 -0.012 0.000 1.338 514 N CA 1.495 54.532 53.050 -0.021 0.000 1.425 514 N CB -0.274 38.203 38.487 -0.017 0.000 1.713 514 N HN 2.114 nan 8.380 nan 0.000 0.721 515 G N 2.272 111.060 108.800 -0.021 0.000 2.995 515 G HA2 -0.262 3.699 3.960 0.001 0.000 0.625 515 G HA3 -0.262 3.699 3.960 0.001 0.000 0.625 515 G C -2.542 172.377 174.900 0.031 0.000 1.472 515 G CA -0.531 44.559 45.100 -0.016 0.000 0.998 515 G HN 0.393 nan 8.290 nan 0.000 0.556 516 P HA 0.318 nan 4.420 nan 0.000 0.265 516 P C 0.305 177.743 177.300 0.230 0.000 1.193 516 P CA -0.434 62.757 63.100 0.152 0.000 0.765 516 P CB 0.781 32.632 31.700 0.251 0.000 0.823 517 V N 4.520 124.507 119.914 0.123 0.000 2.614 517 V HA 0.080 4.200 4.120 0.001 0.000 0.291 517 V C 0.555 176.649 176.094 0.001 0.000 1.049 517 V CA -0.158 62.193 62.300 0.086 0.000 1.038 517 V CB 0.892 32.732 31.823 0.029 0.000 0.980 517 V HN 0.379 nan 8.190 nan 0.000 0.481 518 L N 6.275 127.433 121.223 -0.108 0.000 2.307 518 L HA 0.684 5.025 4.340 0.001 0.000 0.282 518 L C -0.462 176.281 176.870 -0.211 0.000 1.051 518 L CA 0.279 54.886 54.840 -0.387 0.000 0.804 518 L CB 1.638 43.246 42.059 -0.752 0.000 1.197 518 L HN 0.433 nan 8.230 nan 0.000 0.431 519 V N 4.446 124.241 119.914 -0.199 0.000 2.623 519 V HA 0.578 4.698 4.120 0.001 0.000 0.304 519 V C -0.758 175.262 176.094 -0.123 0.000 1.054 519 V CA -0.457 61.771 62.300 -0.120 0.000 0.882 519 V CB 1.636 33.413 31.823 -0.076 0.000 1.002 519 V HN 0.976 nan 8.190 nan 0.000 0.424 520 C N 2.998 122.239 119.300 -0.099 0.000 3.154 520 C HA 1.045 5.505 4.460 0.001 0.000 0.312 520 C C 0.086 175.036 174.990 -0.066 0.000 1.349 520 C CA -0.751 58.212 59.018 -0.091 0.000 1.518 520 C CB 1.668 29.346 27.740 -0.103 0.000 1.934 520 C HN 1.117 nan 8.230 nan 0.000 0.462 521 A N 1.231 124.013 122.820 -0.063 0.000 2.604 521 A HA 0.830 5.150 4.320 0.001 0.000 0.295 521 A C -2.501 175.052 177.584 -0.051 0.000 1.067 521 A CA -0.742 51.264 52.037 -0.052 0.000 0.683 521 A CB 0.992 19.963 19.000 -0.048 0.000 1.281 521 A HN 0.517 nan 8.150 nan 0.000 0.407 522 P HA -0.046 nan 4.420 nan 0.000 0.221 522 P C 0.707 177.984 177.300 -0.039 0.000 1.150 522 P CA 1.628 64.702 63.100 -0.043 0.000 0.800 522 P CB 0.084 31.764 31.700 -0.033 0.000 0.787 523 S N -1.578 114.101 115.700 -0.034 0.000 2.638 523 S HA 0.313 4.783 4.470 0.001 0.000 0.298 523 S C 0.906 175.486 174.600 -0.033 0.000 1.111 523 S CA -0.651 57.533 58.200 -0.027 0.000 1.027 523 S CB 1.233 64.423 63.200 -0.016 0.000 1.064 523 S HN -0.153 nan 8.310 nan 0.000 0.525 524 N N 0.650 119.333 118.700 -0.029 0.000 2.080 524 N HA -0.017 4.724 4.740 0.001 0.000 0.189 524 N C 1.448 176.935 175.510 -0.038 0.000 1.036 524 N CA 1.424 54.454 53.050 -0.034 0.000 0.846 524 N CB -0.581 37.889 38.487 -0.028 0.000 1.015 524 N HN 0.618 nan 8.380 nan 0.000 0.423 525 I N 1.301 121.852 120.570 -0.033 0.000 2.143 525 I HA -0.379 3.791 4.170 0.001 0.000 0.245 525 I C 2.257 178.350 176.117 -0.039 0.000 1.068 525 I CA 1.555 62.833 61.300 -0.037 0.000 1.326 525 I CB -0.415 37.566 38.000 -0.032 0.000 1.028 525 I HN 0.199 nan 8.210 nan 0.000 0.412 526 A N -0.384 122.414 122.820 -0.036 0.000 1.898 526 A HA -0.129 4.191 4.320 0.001 0.000 0.216 526 A C 2.429 179.986 177.584 -0.044 0.000 1.181 526 A CA 1.903 53.917 52.037 -0.038 0.000 0.620 526 A CB -1.007 17.970 19.000 -0.038 0.000 0.819 526 A HN 0.246 nan 8.150 nan 0.000 0.442 527 V N 0.772 120.657 119.914 -0.049 0.000 2.295 527 V HA -0.247 3.873 4.120 0.001 0.000 0.246 527 V C 2.204 178.262 176.094 -0.060 0.000 1.049 527 V CA 2.271 64.538 62.300 -0.056 0.000 1.024 527 V CB -0.907 30.880 31.823 -0.061 0.000 0.648 527 V HN 0.491 nan 8.190 nan 0.000 0.447 528 D N -0.188 120.175 120.400 -0.063 0.000 2.116 528 D HA -0.228 4.413 4.640 0.001 0.000 0.193 528 D C 2.293 178.554 176.300 -0.066 0.000 0.998 528 D CA 1.450 55.405 54.000 -0.075 0.000 0.836 528 D CB -0.334 40.422 40.800 -0.073 0.000 0.951 528 D HN 0.503 nan 8.370 nan 0.000 0.449 529 Q N -0.554 119.215 119.800 -0.052 0.000 2.181 529 Q HA -0.130 4.211 4.340 0.001 0.000 0.205 529 Q C 2.011 177.990 176.000 -0.034 0.000 0.980 529 Q CA 0.688 56.467 55.803 -0.041 0.000 0.862 529 Q CB -0.034 28.682 28.738 -0.036 0.000 0.905 529 Q HN 0.171 nan 8.270 nan 0.000 0.429 530 L N -0.644 120.557 121.223 -0.037 0.000 2.307 530 L HA 0.003 4.343 4.340 0.001 0.000 0.211 530 L C 1.861 178.716 176.870 -0.025 0.000 1.099 530 L CA 1.499 56.322 54.840 -0.027 0.000 0.816 530 L CB -0.275 41.766 42.059 -0.030 0.000 0.952 530 L HN 0.036 nan 8.230 nan 0.000 0.455 531 T N -0.661 113.867 114.554 -0.044 0.000 2.777 531 T HA -0.200 4.150 4.350 0.001 0.000 0.266 531 T C 1.683 176.367 174.700 -0.027 0.000 1.040 531 T CA 1.616 63.685 62.100 -0.051 0.000 1.141 531 T CB -0.063 68.745 68.868 -0.099 0.000 0.868 531 T HN 0.427 nan 8.240 nan 0.000 0.444 532 E N 0.672 120.848 120.200 -0.040 0.000 2.085 532 E HA -0.190 4.160 4.350 0.001 0.000 0.194 532 E C 2.102 178.735 176.600 0.055 0.000 0.994 532 E CA 0.990 57.387 56.400 -0.004 0.000 0.801 532 E CB 0.130 29.817 29.700 -0.021 0.000 0.743 532 E HN 0.182 nan 8.360 nan 0.000 0.453 533 K N 0.154 120.570 120.400 0.027 0.000 2.103 533 K HA -0.073 4.247 4.320 0.001 0.000 0.204 533 K C 2.193 178.816 176.600 0.038 0.000 1.052 533 K CA 0.781 57.083 56.287 0.025 0.000 0.945 533 K CB -0.216 32.285 32.500 0.002 0.000 0.722 533 K HN 0.298 nan 8.250 nan 0.000 0.443 534 I N 0.656 121.254 120.570 0.048 0.000 2.252 534 I HA -0.273 3.898 4.170 0.001 0.000 0.245 534 I C 2.685 178.853 176.117 0.085 0.000 1.102 534 I CA 1.102 62.437 61.300 0.059 0.000 1.385 534 I CB -0.441 37.587 38.000 0.047 0.000 1.064 534 I HN 0.301 nan 8.210 nan 0.000 0.414 535 H N 1.539 120.618 119.070 0.014 0.000 2.353 535 H HA -0.247 4.310 4.556 0.001 0.000 0.298 535 H C 1.961 177.316 175.328 0.044 0.000 1.103 535 H CA 1.829 57.900 56.048 0.038 0.000 1.293 535 H CB 0.025 29.815 29.762 0.047 0.000 1.372 535 H HN 0.441 nan 8.280 nan 0.000 0.501 536 Q N -0.148 119.680 119.800 0.046 0.000 2.439 536 Q HA -0.092 4.249 4.340 0.001 0.000 0.211 536 Q C 1.961 177.911 176.000 -0.082 0.000 0.978 536 Q CA 1.573 57.361 55.803 -0.024 0.000 0.897 536 Q CB 0.138 28.886 28.738 0.015 0.000 0.956 536 Q HN 0.630 nan 8.270 nan 0.000 0.483 537 T N -5.450 109.067 114.554 -0.063 0.000 3.065 537 T HA 0.250 4.600 4.350 0.001 0.000 0.252 537 T C 1.319 176.017 174.700 -0.004 0.000 1.099 537 T CA 0.594 62.668 62.100 -0.043 0.000 1.063 537 T CB 0.735 69.635 68.868 0.053 0.000 0.948 537 T HN 0.344 nan 8.240 nan 0.000 0.506 538 G N 1.118 109.866 108.800 -0.088 0.000 2.176 538 G HA2 -0.173 3.788 3.960 0.001 0.000 0.232 538 G HA3 -0.173 3.788 3.960 0.001 0.000 0.232 538 G C -0.053 174.818 174.900 -0.048 0.000 0.986 538 G CA -0.077 44.961 45.100 -0.103 0.000 0.643 538 G HN 0.611 nan 8.290 nan 0.000 0.522 539 L N 0.668 121.889 121.223 -0.005 0.000 2.467 539 L HA 0.283 4.623 4.340 0.001 0.000 0.270 539 L C 1.060 177.938 176.870 0.013 0.000 1.205 539 L CA -0.100 54.739 54.840 -0.000 0.000 0.828 539 L CB 0.394 42.458 42.059 0.009 0.000 1.101 539 L HN 0.057 nan 8.230 nan 0.000 0.479 540 K N 1.953 122.361 120.400 0.014 0.000 2.382 540 K HA 0.223 4.543 4.320 0.001 0.000 0.286 540 K C -0.994 175.633 176.600 0.045 0.000 1.062 540 K CA -0.122 56.188 56.287 0.037 0.000 1.000 540 K CB 0.435 32.949 32.500 0.023 0.000 0.954 540 K HN 0.241 nan 8.250 nan 0.000 0.470 541 V N 4.261 124.219 119.914 0.073 0.000 2.409 541 V HA 0.238 4.359 4.120 0.001 0.000 0.291 541 V C -0.229 175.877 176.094 0.020 0.000 1.020 541 V CA -1.020 61.309 62.300 0.049 0.000 0.848 541 V CB 1.687 33.552 31.823 0.070 0.000 0.990 541 V HN 0.377 nan 8.190 nan 0.000 0.430 542 V N 5.409 125.323 119.914 0.000 0.000 2.398 542 V HA 0.549 4.669 4.120 0.001 0.000 0.286 542 V C 0.196 176.265 176.094 -0.041 0.000 1.026 542 V CA -0.690 61.599 62.300 -0.018 0.000 0.868 542 V CB 1.802 33.626 31.823 0.001 0.000 0.982 542 V HN 0.753 nan 8.190 nan 0.000 0.443 543 R N 4.237 124.700 120.500 -0.062 0.000 2.275 543 R HA 0.386 4.726 4.340 0.001 0.000 0.326 543 R C -1.106 175.171 176.300 -0.037 0.000 0.973 543 R CA -0.841 55.218 56.100 -0.069 0.000 0.854 543 R CB 1.250 31.485 30.300 -0.108 0.000 1.156 543 R HN 0.592 nan 8.270 nan 0.000 0.487 544 L N 4.458 125.661 121.223 -0.033 0.000 2.416 544 L HA 0.218 4.558 4.340 0.001 0.000 0.272 544 L C -0.874 175.987 176.870 -0.014 0.000 1.161 544 L CA 0.296 55.128 54.840 -0.013 0.000 0.845 544 L CB 0.658 42.701 42.059 -0.028 0.000 1.119 544 L HN 0.610 nan 8.230 nan 0.000 0.464 545 C N 3.860 123.165 119.300 0.007 0.000 2.561 545 C HA 0.774 5.234 4.460 0.001 0.000 0.319 545 C C 0.423 175.375 174.990 -0.064 0.000 1.198 545 C CA -1.298 57.706 59.018 -0.023 0.000 1.665 545 C CB 1.060 28.799 27.740 -0.000 0.000 2.258 545 C HN 1.032 nan 8.230 nan 0.000 0.493 546 A N 2.180 124.955 122.820 -0.075 0.000 2.567 546 A HA 0.108 4.428 4.320 0.001 0.000 0.240 546 A C 1.524 179.026 177.584 -0.137 0.000 1.053 546 A CA 0.228 52.212 52.037 -0.089 0.000 0.755 546 A CB 0.099 19.055 19.000 -0.073 0.000 0.978 546 A HN 1.058 nan 8.150 nan 0.000 0.507 547 K N 1.693 122.013 120.400 -0.134 0.000 2.228 547 K HA -0.181 4.139 4.320 0.001 0.000 0.205 547 K C 1.753 178.214 176.600 -0.231 0.000 1.045 547 K CA 1.977 58.162 56.287 -0.170 0.000 0.931 547 K CB -0.101 32.328 32.500 -0.118 0.000 0.727 547 K HN 0.783 nan 8.250 nan 0.000 0.458 548 S N 0.410 115.969 115.700 -0.234 0.000 2.428 548 S HA 0.006 4.477 4.470 0.001 0.000 0.230 548 S C 1.364 175.810 174.600 -0.258 0.000 1.014 548 S CA 0.553 58.529 58.200 -0.372 0.000 0.957 548 S CB 0.011 63.060 63.200 -0.252 0.000 0.784 548 S HN 0.284 nan 8.310 nan 0.000 0.499 549 R N 1.091 121.488 120.500 -0.171 0.000 2.388 549 R HA 0.248 4.588 4.340 0.001 0.000 0.247 549 R C 1.025 177.229 176.300 -0.160 0.000 0.931 549 R CA 0.024 56.056 56.100 -0.112 0.000 1.082 549 R CB -0.066 30.190 30.300 -0.072 0.000 1.135 549 R HN 0.566 nan 8.270 nan 0.000 0.525 550 E N 0.771 120.804 120.200 -0.278 0.000 2.150 550 E HA -0.076 4.274 4.350 0.001 0.000 0.193 550 E C 1.412 177.931 176.600 -0.135 0.000 0.985 550 E CA 1.009 57.130 56.400 -0.465 0.000 0.814 550 E CB 0.142 29.436 29.700 -0.676 0.000 0.752 550 E HN 0.215 nan 8.360 nan 0.000 0.466 551 A N 0.696 123.467 122.820 -0.082 0.000 2.238 551 A HA 0.055 4.376 4.320 0.001 0.000 0.208 551 A C 0.608 178.194 177.584 0.003 0.000 1.177 551 A CA 0.083 52.110 52.037 -0.016 0.000 0.804 551 A CB -0.176 18.808 19.000 -0.027 0.000 0.823 551 A HN -0.001 nan 8.150 nan 0.000 0.482 552 I N 0.415 120.988 120.570 0.004 0.000 2.396 552 I HA 0.214 4.385 4.170 0.001 0.000 0.292 552 I C 0.230 176.356 176.117 0.014 0.000 0.999 552 I CA -0.624 60.679 61.300 0.005 0.000 1.310 552 I CB 1.165 39.163 38.000 -0.003 0.000 1.404 552 I HN 0.198 nan 8.210 nan 0.000 0.496 553 D N 3.558 123.958 120.400 -0.001 0.000 2.339 553 D HA 0.589 5.229 4.640 0.001 0.000 0.245 553 D C -0.501 175.787 176.300 -0.019 0.000 1.115 553 D CA 0.137 54.133 54.000 -0.007 0.000 0.917 553 D CB 0.732 41.523 40.800 -0.016 0.000 1.192 553 D HN 0.644 nan 8.370 nan 0.000 0.428 554 S N 1.172 116.854 115.700 -0.030 0.000 2.587 554 S HA 0.396 4.866 4.470 0.001 0.000 0.269 554 S C -2.455 172.112 174.600 -0.055 0.000 1.154 554 S CA -1.041 57.130 58.200 -0.048 0.000 0.824 554 S CB 1.398 64.558 63.200 -0.066 0.000 1.118 554 S HN 0.253 nan 8.310 nan 0.000 0.462 555 P HA 0.037 nan 4.420 nan 0.000 0.226 555 P C 0.866 178.100 177.300 -0.110 0.000 1.146 555 P CA 1.072 64.150 63.100 -0.037 0.000 0.773 555 P CB -0.171 31.509 31.700 -0.033 0.000 0.772 556 V N -6.392 113.377 119.914 -0.242 0.000 2.991 556 V HA 0.313 4.433 4.120 0.001 0.000 0.355 556 V C 1.469 177.241 176.094 -0.536 0.000 1.384 556 V CA -0.088 61.874 62.300 -0.563 0.000 1.171 556 V CB -0.216 31.334 31.823 -0.454 0.000 1.190 556 V HN -0.179 nan 8.190 nan 0.000 0.540 557 S N 2.237 117.760 115.700 -0.295 0.000 2.383 557 S HA -0.148 4.322 4.470 0.001 0.000 0.229 557 S C 1.599 176.056 174.600 -0.237 0.000 1.030 557 S CA 2.362 60.449 58.200 -0.190 0.000 1.002 557 S CB -0.514 62.651 63.200 -0.058 0.000 0.829 557 S HN 1.002 nan 8.310 nan 0.000 0.467 558 F N 0.592 120.466 119.950 -0.127 0.000 2.269 558 F HA 0.059 4.587 4.527 0.000 0.000 0.301 558 F C 1.506 177.227 175.800 -0.132 0.000 1.082 558 F CA 0.476 58.398 58.000 -0.129 0.000 1.360 558 F CB -0.619 38.315 39.000 -0.110 0.000 1.041 558 F HN 0.072 nan 8.300 nan 0.000 0.512 559 L N 0.843 121.687 121.223 -0.632 0.000 2.554 559 L HA 0.366 4.706 4.340 0.001 0.000 0.226 559 L C 1.383 178.125 176.870 -0.212 0.000 1.137 559 L CA -0.301 54.322 54.840 -0.361 0.000 0.863 559 L CB -1.623 40.132 42.059 -0.506 0.000 0.985 559 L HN 0.272 nan 8.230 nan 0.000 0.451 560 A N -0.774 121.903 122.820 -0.238 0.000 2.440 560 A HA 0.171 4.491 4.320 0.001 0.000 0.251 560 A C 1.388 178.868 177.584 -0.173 0.000 1.089 560 A CA -0.267 51.663 52.037 -0.179 0.000 0.779 560 A CB 0.215 19.103 19.000 -0.188 0.000 1.022 560 A HN 0.205 nan 8.150 nan 0.000 0.492 561 L N 2.876 124.073 121.223 -0.042 0.000 1.997 561 L HA -0.276 4.064 4.340 0.001 0.000 0.216 561 L C 2.709 179.575 176.870 -0.007 0.000 1.074 561 L CA 3.044 57.882 54.840 -0.004 0.000 0.763 561 L CB -0.931 41.152 42.059 0.040 0.000 0.890 561 L HN 0.947 nan 8.230 nan 0.000 0.434 562 H N -1.579 117.478 119.070 -0.022 0.000 2.387 562 H HA -0.121 4.435 4.556 0.001 0.000 0.299 562 H C 1.740 177.068 175.328 0.000 0.000 1.099 562 H CA 1.613 57.654 56.048 -0.011 0.000 1.315 562 H CB -0.841 28.914 29.762 -0.011 0.000 1.380 562 H HN 0.447 nan 8.280 nan 0.000 0.513 563 N N 1.193 119.606 118.700 -0.478 0.000 2.135 563 N HA -0.105 4.635 4.740 0.001 0.000 0.186 563 N C 2.169 177.614 175.510 -0.109 0.000 1.027 563 N CA 0.920 53.806 53.050 -0.274 0.000 0.849 563 N CB -0.274 38.022 38.487 -0.317 0.000 1.002 563 N HN 0.536 nan 8.380 nan 0.000 0.425 564 Q N 0.558 120.302 119.800 -0.094 0.000 2.135 564 Q HA -0.068 4.273 4.340 0.001 0.000 0.204 564 Q C 2.104 178.093 176.000 -0.019 0.000 0.981 564 Q CA 0.970 56.754 55.803 -0.031 0.000 0.856 564 Q CB -0.138 28.588 28.738 -0.020 0.000 0.902 564 Q HN 0.402 nan 8.270 nan 0.000 0.425 565 I N 0.185 120.743 120.570 -0.020 0.000 2.315 565 I HA -0.268 3.902 4.170 0.001 0.000 0.248 565 I C 2.338 178.456 176.117 0.003 0.000 1.117 565 I CA 0.996 62.292 61.300 -0.008 0.000 1.404 565 I CB -0.162 37.835 38.000 -0.005 0.000 1.071 565 I HN 0.136 nan 8.210 nan 0.000 0.419 566 R N 0.729 121.234 120.500 0.008 0.000 2.120 566 R HA -0.067 4.274 4.340 0.001 0.000 0.234 566 R C 0.910 177.218 176.300 0.013 0.000 1.123 566 R CA 0.924 57.037 56.100 0.022 0.000 0.975 566 R CB -0.338 29.975 30.300 0.023 0.000 0.866 566 R HN 0.466 nan 8.270 nan 0.000 0.446 567 N N 0.494 119.196 118.700 0.002 0.000 2.327 567 N HA 0.071 4.811 4.740 0.001 0.000 0.231 567 N C -0.201 175.311 175.510 0.002 0.000 1.130 567 N CA 0.149 53.201 53.050 0.002 0.000 0.845 567 N CB 0.502 38.990 38.487 0.001 0.000 1.073 567 N HN 0.068 nan 8.380 nan 0.000 0.496 568 M N 1.986 121.588 119.600 0.003 0.000 2.725 568 M HA 0.015 4.496 4.480 0.001 0.000 0.322 568 M C 1.005 177.306 176.300 0.001 0.000 1.393 568 M CA 0.086 55.386 55.300 0.000 0.000 1.452 568 M CB 0.326 32.923 32.600 -0.004 0.000 1.242 568 M HN 0.147 nan 8.290 nan 0.000 0.487 569 D N 0.582 120.982 120.400 0.001 0.000 2.310 569 D HA -0.124 4.516 4.640 0.001 0.000 0.212 569 D C 1.172 177.472 176.300 -0.000 0.000 0.965 569 D CA 1.099 55.099 54.000 0.001 0.000 0.879 569 D CB 0.014 40.813 40.800 -0.001 0.000 0.921 569 D HN 0.481 nan 8.370 nan 0.000 0.510 570 S N -0.863 114.836 115.700 -0.002 0.000 2.558 570 S HA 0.136 4.606 4.470 0.001 0.000 0.217 570 S C 1.139 175.737 174.600 -0.003 0.000 0.975 570 S CA -0.405 57.793 58.200 -0.003 0.000 0.912 570 S CB -0.259 62.939 63.200 -0.004 0.000 0.776 570 S HN 0.135 nan 8.310 nan 0.000 0.526 571 M N 2.711 122.310 119.600 -0.002 0.000 2.325 571 M HA 0.447 4.928 4.480 0.001 0.000 0.305 571 M C -2.815 173.488 176.300 0.005 0.000 1.047 571 M CA -2.124 53.174 55.300 -0.003 0.000 0.981 571 M CB 1.499 34.093 32.600 -0.010 0.000 1.307 571 M HN -0.029 nan 8.290 nan 0.000 0.418 572 P HA 0.083 nan 4.420 nan 0.000 0.274 572 P C 0.462 177.772 177.300 0.016 0.000 1.264 572 P CA 0.163 63.270 63.100 0.012 0.000 0.795 572 P CB 0.609 32.314 31.700 0.009 0.000 1.064 573 E N -1.909 118.305 120.200 0.023 0.000 4.374 573 E HA -0.330 4.020 4.350 0.001 0.000 0.182 573 E C 1.211 177.842 176.600 0.051 0.000 1.240 573 E CA 1.264 57.683 56.400 0.032 0.000 2.386 573 E CB -1.616 28.098 29.700 0.023 0.000 1.805 573 E HN 0.278 nan 8.360 nan 0.000 0.421 574 L N 1.624 122.871 121.223 0.040 0.000 2.056 574 L HA -0.089 4.252 4.340 0.001 0.000 0.207 574 L C 2.512 179.433 176.870 0.086 0.000 1.078 574 L CA 2.712 57.584 54.840 0.055 0.000 0.749 574 L CB -0.596 41.457 42.059 -0.010 0.000 0.901 574 L HN 0.394 nan 8.230 nan 0.000 0.433 575 Q N -0.599 119.233 119.800 0.054 0.000 2.061 575 Q HA -0.291 4.050 4.340 0.001 0.000 0.204 575 Q C 2.228 178.264 176.000 0.060 0.000 0.984 575 Q CA 2.210 58.045 55.803 0.053 0.000 0.846 575 Q CB 0.001 28.758 28.738 0.031 0.000 0.902 575 Q HN 0.454 nan 8.270 nan 0.000 0.421 576 K N 0.268 120.699 120.400 0.050 0.000 1.977 576 K HA -0.166 4.154 4.320 0.001 0.000 0.218 576 K C 2.010 178.644 176.600 0.056 0.000 1.051 576 K CA 1.481 57.794 56.287 0.044 0.000 0.953 576 K CB -0.369 32.152 32.500 0.035 0.000 0.727 576 K HN 0.135 nan 8.250 nan 0.000 0.445 577 L N 0.866 122.141 121.223 0.086 0.000 2.137 577 L HA -0.307 4.034 4.340 0.001 0.000 0.213 577 L C 2.676 179.588 176.870 0.071 0.000 1.085 577 L CA 1.298 56.199 54.840 0.101 0.000 0.760 577 L CB -0.421 41.762 42.059 0.206 0.000 0.893 577 L HN 0.336 nan 8.230 nan 0.000 0.434 578 Q N 0.243 120.131 119.800 0.147 0.000 2.084 578 Q HA -0.241 4.099 4.340 0.001 0.000 0.202 578 Q C 2.134 178.146 176.000 0.019 0.000 0.978 578 Q CA 1.722 57.599 55.803 0.122 0.000 0.844 578 Q CB -0.136 28.714 28.738 0.185 0.000 0.898 578 Q HN 0.496 nan 8.270 nan 0.000 0.426 579 Q N -0.456 119.359 119.800 0.025 0.000 2.096 579 Q HA -0.155 4.185 4.340 0.001 0.000 0.204 579 Q C 1.935 177.925 176.000 -0.016 0.000 0.982 579 Q CA 1.311 57.117 55.803 0.006 0.000 0.850 579 Q CB -0.163 28.582 28.738 0.011 0.000 0.901 579 Q HN 0.334 nan 8.270 nan 0.000 0.422 580 L N 1.179 122.388 121.223 -0.023 0.000 2.017 580 L HA -0.180 4.160 4.340 0.001 0.000 0.208 580 L C 2.282 179.111 176.870 -0.067 0.000 1.073 580 L CA 1.773 56.591 54.840 -0.037 0.000 0.745 580 L CB -1.079 40.960 42.059 -0.033 0.000 0.894 580 L HN 0.244 nan 8.230 nan 0.000 0.432 581 K N 0.013 120.339 120.400 -0.123 0.000 2.152 581 K HA -0.153 4.167 4.320 0.001 0.000 0.206 581 K C -0.099 176.445 176.600 -0.095 0.000 1.048 581 K CA 0.807 56.997 56.287 -0.162 0.000 0.933 581 K CB 0.020 32.326 32.500 -0.323 0.000 0.721 581 K HN 0.327 nan 8.250 nan 0.000 0.447 582 D N 2.199 122.560 120.400 -0.064 0.000 2.429 582 D HA -0.000 4.640 4.640 0.001 0.000 0.253 582 D C -0.080 176.204 176.300 -0.026 0.000 1.294 582 D CA 0.695 54.674 54.000 -0.034 0.000 1.063 582 D CB 0.677 41.466 40.800 -0.018 0.000 1.096 582 D HN 0.187 nan 8.370 nan 0.000 0.516 589 S N 1.394 117.094 115.700 -0.000 0.000 3.316 589 S HA 0.693 5.163 4.470 0.001 0.000 0.174 589 S C 1.893 176.502 174.600 0.016 0.000 0.734 589 S CA 1.058 59.263 58.200 0.008 0.000 0.861 589 S CB -0.126 63.078 63.200 0.007 0.000 1.009 589 S HN 1.297 nan 8.310 nan 0.000 0.728 590 A N 1.101 123.931 122.820 0.017 0.000 2.067 590 A HA 0.119 4.439 4.320 0.001 0.000 0.217 590 A C 1.541 179.144 177.584 0.031 0.000 1.156 590 A CA 1.526 53.576 52.037 0.022 0.000 0.683 590 A CB -0.875 18.135 19.000 0.018 0.000 0.808 590 A HN 0.623 nan 8.150 nan 0.000 0.455 591 D N -0.004 120.413 120.400 0.028 0.000 2.178 591 D HA -0.112 4.528 4.640 0.001 0.000 0.201 591 D C 1.837 178.179 176.300 0.071 0.000 0.980 591 D CA 0.871 54.896 54.000 0.041 0.000 0.842 591 D CB -0.105 40.705 40.800 0.017 0.000 0.948 591 D HN 0.356 nan 8.370 nan 0.000 0.472 592 E N 0.368 120.599 120.200 0.052 0.000 2.150 592 E HA -0.163 4.187 4.350 0.001 0.000 0.193 592 E C 1.902 178.565 176.600 0.105 0.000 0.985 592 E CA 0.627 57.074 56.400 0.080 0.000 0.814 592 E CB 0.026 29.751 29.700 0.042 0.000 0.752 592 E HN 0.201 nan 8.360 nan 0.000 0.466 593 K N 0.698 121.140 120.400 0.069 0.000 2.026 593 K HA -0.101 4.219 4.320 0.001 0.000 0.208 593 K C 2.097 178.733 176.600 0.060 0.000 1.048 593 K CA 1.265 57.585 56.287 0.055 0.000 0.929 593 K CB 0.117 32.639 32.500 0.037 0.000 0.713 593 K HN -0.082 nan 8.250 nan 0.000 0.439 594 R N -1.420 119.123 120.500 0.072 0.000 2.173 594 R HA -0.036 4.304 4.340 0.001 0.000 0.208 594 R C 2.132 178.480 176.300 0.080 0.000 1.035 594 R CA 0.769 56.905 56.100 0.061 0.000 1.004 594 R CB -0.185 30.145 30.300 0.052 0.000 0.917 594 R HN 0.308 nan 8.270 nan 0.000 0.462 595 Y N 1.666 121.968 120.300 0.004 0.000 2.145 595 Y HA -0.203 4.347 4.550 0.001 0.000 0.286 595 Y C 2.165 178.068 175.900 0.004 0.000 1.145 595 Y CA 1.549 59.652 58.100 0.004 0.000 1.148 595 Y CB 0.031 38.493 38.460 0.005 0.000 0.981 595 Y HN -0.227 nan 8.280 nan 0.000 0.507 596 R N 0.502 121.035 120.500 0.056 0.000 2.096 596 R HA -0.112 4.229 4.340 0.001 0.000 0.235 596 R C 2.478 178.721 176.300 -0.094 0.000 1.127 596 R CA 1.397 57.473 56.100 -0.040 0.000 0.968 596 R CB -1.035 29.298 30.300 0.054 0.000 0.861 596 R HN 0.511 nan 8.270 nan 0.000 0.440 597 A N 0.096 122.884 122.820 -0.053 0.000 1.872 597 A HA -0.063 4.258 4.320 0.001 0.000 0.214 597 A C 2.115 179.653 177.584 -0.076 0.000 1.187 597 A CA 1.069 53.078 52.037 -0.048 0.000 0.614 597 A CB -0.496 18.493 19.000 -0.018 0.000 0.826 597 A HN 0.225 nan 8.150 nan 0.000 0.442 598 L N -0.954 120.209 121.223 -0.099 0.000 2.056 598 L HA -0.161 4.180 4.340 0.001 0.000 0.207 598 L C 2.587 179.362 176.870 -0.157 0.000 1.078 598 L CA 1.758 56.534 54.840 -0.107 0.000 0.749 598 L CB -0.413 41.591 42.059 -0.091 0.000 0.901 598 L HN 0.364 nan 8.230 nan 0.000 0.433 599 K N 0.455 120.689 120.400 -0.277 0.000 2.032 599 K HA -0.212 4.108 4.320 0.001 0.000 0.209 599 K C 2.312 178.821 176.600 -0.152 0.000 1.048 599 K CA 1.444 57.558 56.287 -0.288 0.000 0.927 599 K CB -0.132 32.081 32.500 -0.480 0.000 0.712 599 K HN 0.019 nan 8.250 nan 0.000 0.441 600 R N -0.556 119.871 120.500 -0.121 0.000 2.081 600 R HA -0.103 4.237 4.340 0.001 0.000 0.235 600 R C 2.009 178.276 176.300 -0.054 0.000 1.131 600 R CA 1.937 57.995 56.100 -0.070 0.000 0.960 600 R CB -0.450 29.819 30.300 -0.052 0.000 0.856 600 R HN 0.270 nan 8.270 nan 0.000 0.436 601 T N 0.497 115.017 114.554 -0.057 0.000 2.788 601 T HA -0.108 4.242 4.350 0.001 0.000 0.268 601 T C 1.685 176.361 174.700 -0.040 0.000 1.044 601 T CA 1.285 63.359 62.100 -0.043 0.000 1.139 601 T CB -0.150 68.694 68.868 -0.039 0.000 0.867 601 T HN 0.421 nan 8.240 nan 0.000 0.454 602 A N 1.476 124.264 122.820 -0.053 0.000 1.858 602 A HA -0.150 4.170 4.320 0.001 0.000 0.216 602 A C 2.140 179.705 177.584 -0.032 0.000 1.190 602 A CA 1.883 53.893 52.037 -0.044 0.000 0.617 602 A CB -0.628 18.336 19.000 -0.060 0.000 0.827 602 A HN 0.563 nan 8.150 nan 0.000 0.443 603 E N -0.625 119.554 120.200 -0.035 0.000 2.038 603 E HA -0.199 4.152 4.350 0.001 0.000 0.195 603 E C 2.370 178.965 176.600 -0.008 0.000 1.000 603 E CA 1.274 57.663 56.400 -0.018 0.000 0.803 603 E CB -0.191 29.498 29.700 -0.018 0.000 0.750 603 E HN 0.342 nan 8.360 nan 0.000 0.448 604 R N 0.722 121.214 120.500 -0.013 0.000 2.105 604 R HA -0.164 4.177 4.340 0.001 0.000 0.239 604 R C 2.231 178.526 176.300 -0.009 0.000 1.135 604 R CA 1.034 57.129 56.100 -0.010 0.000 0.967 604 R CB -0.344 29.946 30.300 -0.017 0.000 0.861 604 R HN 0.362 nan 8.270 nan 0.000 0.442 605 E N 0.676 120.869 120.200 -0.013 0.000 2.051 605 E HA -0.160 4.190 4.350 0.001 0.000 0.192 605 E C 2.061 178.659 176.600 -0.004 0.000 0.991 605 E CA 1.011 57.405 56.400 -0.011 0.000 0.799 605 E CB 0.049 29.741 29.700 -0.014 0.000 0.748 605 E HN 0.259 nan 8.360 nan 0.000 0.449 606 L N 0.191 121.414 121.223 -0.000 0.000 2.095 606 L HA -0.150 4.191 4.340 0.001 0.000 0.204 606 L C 2.475 179.356 176.870 0.017 0.000 1.080 606 L CA 0.151 54.995 54.840 0.007 0.000 0.759 606 L CB -0.342 41.720 42.059 0.005 0.000 0.914 606 L HN 0.207 nan 8.230 nan 0.000 0.439 607 L N -0.463 120.774 121.223 0.023 0.000 2.012 607 L HA -0.232 4.109 4.340 0.001 0.000 0.210 607 L C 2.553 179.451 176.870 0.047 0.000 1.073 607 L CA 1.963 56.832 54.840 0.048 0.000 0.748 607 L CB -0.880 41.213 42.059 0.056 0.000 0.891 607 L HN 0.269 nan 8.230 nan 0.000 0.431 608 M N -1.400 118.211 119.600 0.018 0.000 2.213 608 M HA -0.239 4.242 4.480 0.001 0.000 0.263 608 M C 1.649 177.950 176.300 0.003 0.000 1.062 608 M CA 1.615 56.914 55.300 -0.001 0.000 1.105 608 M CB -0.395 32.196 32.600 -0.015 0.000 1.385 608 M HN 0.347 nan 8.290 nan 0.000 0.417 609 N N -0.226 118.479 118.700 0.008 0.000 2.373 609 N HA 0.169 4.909 4.740 0.001 0.000 0.181 609 N C 0.143 175.660 175.510 0.013 0.000 1.082 609 N CA -0.301 52.752 53.050 0.005 0.000 0.885 609 N CB 0.351 38.839 38.487 0.002 0.000 0.977 609 N HN 0.186 nan 8.380 nan 0.000 0.462 610 A N 0.490 123.326 122.820 0.026 0.000 2.466 610 A HA -0.010 4.311 4.320 0.001 0.000 0.238 610 A C 0.604 178.204 177.584 0.027 0.000 1.074 610 A CA 0.141 52.196 52.037 0.030 0.000 0.774 610 A CB 0.270 19.295 19.000 0.043 0.000 1.015 610 A HN 0.219 nan 8.150 nan 0.000 0.498 611 D N -0.332 120.077 120.400 0.016 0.000 2.213 611 D HA 0.106 4.746 4.640 0.001 0.000 0.205 611 D C -0.068 176.243 176.300 0.018 0.000 0.961 611 D CA 1.324 55.327 54.000 0.004 0.000 0.853 611 D CB 0.267 41.054 40.800 -0.021 0.000 0.967 611 D HN 0.202 nan 8.370 nan 0.000 0.496 612 V N 1.371 121.297 119.914 0.020 0.000 2.733 612 V HA 0.327 4.447 4.120 0.001 0.000 0.306 612 V C -0.563 175.528 176.094 -0.005 0.000 1.084 612 V CA -0.679 61.626 62.300 0.007 0.000 0.905 612 V CB 2.835 34.659 31.823 0.002 0.000 1.010 612 V HN -0.123 nan 8.190 nan 0.000 0.424 613 I N 3.759 124.304 120.570 -0.043 0.000 2.362 613 I HA 0.480 4.650 4.170 0.001 0.000 0.289 613 I C -0.585 175.454 176.117 -0.131 0.000 0.994 613 I CA -0.173 61.079 61.300 -0.081 0.000 1.158 613 I CB 1.443 39.385 38.000 -0.097 0.000 1.315 613 I HN 0.531 nan 8.210 nan 0.000 0.451 614 C N 5.990 125.231 119.300 -0.098 0.000 2.319 614 C HA 0.746 5.207 4.460 0.001 0.000 0.323 614 C C 0.216 175.148 174.990 -0.096 0.000 1.277 614 C CA -0.819 58.139 59.018 -0.100 0.000 1.517 614 C CB -0.154 27.539 27.740 -0.078 0.000 2.206 614 C HN 0.994 nan 8.230 nan 0.000 0.486 615 C N 1.046 120.282 119.300 -0.107 0.000 3.336 615 C HA 0.805 5.265 4.460 0.001 0.000 0.339 615 C C 0.226 175.163 174.990 -0.088 0.000 1.468 615 C CA -0.548 58.415 59.018 -0.092 0.000 1.287 615 C CB 0.471 28.153 27.740 -0.096 0.000 1.682 615 C HN 0.712 nan 8.230 nan 0.000 0.451 616 T N 0.302 114.810 114.554 -0.076 0.000 2.748 616 T HA 0.179 4.530 4.350 0.001 0.000 0.304 616 T C 1.274 175.924 174.700 -0.083 0.000 1.041 616 T CA -0.055 62.001 62.100 -0.073 0.000 1.033 616 T CB 0.290 69.118 68.868 -0.067 0.000 0.995 616 T HN 0.854 nan 8.240 nan 0.000 0.536 617 C N 0.666 119.919 119.300 -0.078 0.000 2.442 617 C HA -0.074 4.386 4.460 0.001 0.000 0.279 617 C C 2.964 177.904 174.990 -0.083 0.000 1.237 617 C CA 0.352 59.321 59.018 -0.081 0.000 1.722 617 C CB -1.289 26.408 27.740 -0.072 0.000 2.056 617 C HN 0.770 nan 8.230 nan 0.000 0.469 618 V N 1.609 121.470 119.914 -0.088 0.000 2.392 618 V HA -0.136 3.985 4.120 0.001 0.000 0.249 618 V C 2.706 178.753 176.094 -0.079 0.000 1.059 618 V CA 2.328 64.572 62.300 -0.094 0.000 1.051 618 V CB -1.719 30.033 31.823 -0.119 0.000 0.658 618 V HN 0.694 nan 8.190 nan 0.000 0.455 619 G N 0.187 108.941 108.800 -0.077 0.000 2.547 619 G HA2 -0.336 3.625 3.960 0.001 0.000 0.221 619 G HA3 -0.336 3.625 3.960 0.001 0.000 0.221 619 G C 1.608 176.468 174.900 -0.066 0.000 1.140 619 G CA 1.244 46.302 45.100 -0.070 0.000 0.760 619 G HN 0.693 nan 8.290 nan 0.000 0.583 620 A N 0.316 123.089 122.820 -0.078 0.000 2.209 620 A HA 0.335 4.655 4.320 0.001 0.000 0.212 620 A C 2.431 179.997 177.584 -0.031 0.000 1.158 620 A CA 1.566 53.559 52.037 -0.074 0.000 0.742 620 A CB -0.399 18.537 19.000 -0.107 0.000 0.790 620 A HN 0.560 nan 8.150 nan 0.000 0.472 621 G N -0.872 107.908 108.800 -0.035 0.000 2.880 621 G HA2 0.007 3.967 3.960 0.001 0.000 0.209 621 G HA3 0.007 3.967 3.960 0.001 0.000 0.209 621 G C 0.386 175.279 174.900 -0.011 0.000 1.157 621 G CA 0.185 45.273 45.100 -0.018 0.000 0.779 621 G HN 0.484 nan 8.290 nan 0.000 0.539 622 D N 1.028 121.418 120.400 -0.016 0.000 2.583 622 D HA 0.001 4.641 4.640 0.001 0.000 0.232 622 D C -1.004 175.298 176.300 0.003 0.000 1.128 622 D CA -1.088 52.905 54.000 -0.013 0.000 0.859 622 D CB 1.709 42.499 40.800 -0.017 0.000 1.169 622 D HN 0.001 nan 8.370 nan 0.000 0.481 623 P HA -0.149 nan 4.420 nan 0.000 0.217 623 P C 1.118 178.423 177.300 0.008 0.000 1.148 623 P CA 1.248 64.350 63.100 0.004 0.000 0.834 623 P CB 0.139 31.839 31.700 -0.001 0.000 0.783 624 R N -0.861 119.644 120.500 0.007 0.000 2.193 624 R HA -0.019 4.321 4.340 0.001 0.000 0.229 624 R C 1.900 178.218 176.300 0.030 0.000 1.110 624 R CA 0.821 56.927 56.100 0.011 0.000 0.988 624 R CB -0.696 29.608 30.300 0.007 0.000 0.871 624 R HN 0.283 nan 8.270 nan 0.000 0.458 625 L N 0.640 121.892 121.223 0.049 0.000 2.591 625 L HA 0.195 4.536 4.340 0.001 0.000 0.228 625 L C 0.657 177.567 176.870 0.067 0.000 1.133 625 L CA -0.620 54.279 54.840 0.097 0.000 0.880 625 L CB -0.088 42.064 42.059 0.156 0.000 1.033 625 L HN 0.061 nan 8.230 nan 0.000 0.450 626 A N 0.929 123.769 122.820 0.032 0.000 2.580 626 A HA -0.004 4.316 4.320 0.001 0.000 0.244 626 A C 1.043 178.622 177.584 -0.008 0.000 1.045 626 A CA 0.292 52.337 52.037 0.013 0.000 0.761 626 A CB 0.017 19.020 19.000 0.006 0.000 0.962 626 A HN 0.416 nan 8.150 nan 0.000 0.512 627 K N -0.225 120.164 120.400 -0.019 0.000 3.500 627 K HA -0.182 4.138 4.320 0.001 0.000 0.313 627 K C -0.072 176.471 176.600 -0.094 0.000 1.338 627 K CA 1.710 57.969 56.287 -0.046 0.000 0.963 627 K CB -2.175 30.303 32.500 -0.037 0.000 1.267 627 K HN 0.839 nan 8.250 nan 0.000 0.448 628 M N 1.537 121.063 119.600 -0.123 0.000 2.216 628 M HA 0.103 4.583 4.480 0.001 0.000 0.356 628 M C 0.441 176.481 176.300 -0.433 0.000 1.205 628 M CA 0.231 55.349 55.300 -0.303 0.000 1.122 628 M CB 1.026 33.422 32.600 -0.339 0.000 1.571 628 M HN -0.095 nan 8.290 nan 0.000 0.464 629 Q N 3.342 122.838 119.800 -0.507 0.000 2.293 629 Q HA 0.454 4.794 4.340 0.001 0.000 0.261 629 Q C -1.487 174.136 176.000 -0.627 0.000 0.960 629 Q CA -0.131 55.428 55.803 -0.407 0.000 0.882 629 Q CB 1.738 30.359 28.738 -0.195 0.000 1.275 629 Q HN 0.532 nan 8.270 nan 0.000 0.445 630 F N 1.790 121.724 119.950 -0.027 0.000 2.388 630 F HA 0.348 4.875 4.527 0.000 0.000 0.358 630 F C 1.462 177.247 175.800 -0.025 0.000 1.122 630 F CA -0.669 57.315 58.000 -0.026 0.000 1.056 630 F CB 1.205 40.188 39.000 -0.028 0.000 1.155 630 F HN 0.397 nan 8.300 nan 0.000 0.461 631 R N 1.087 121.650 120.500 0.106 0.000 2.119 631 R HA 0.094 4.434 4.340 0.001 0.000 0.222 631 R C -0.283 176.058 176.300 0.067 0.000 1.088 631 R CA 0.761 56.895 56.100 0.058 0.000 0.984 631 R CB 0.140 30.451 30.300 0.019 0.000 0.884 631 R HN 0.532 nan 8.270 nan 0.000 0.447 632 S N 0.642 116.395 115.700 0.088 0.000 2.478 632 S HA 0.566 5.037 4.470 0.001 0.000 0.312 632 S C -0.503 174.132 174.600 0.058 0.000 1.094 632 S CA -0.595 57.642 58.200 0.060 0.000 1.081 632 S CB 1.907 65.135 63.200 0.046 0.000 1.007 632 S HN 0.176 nan 8.310 nan 0.000 0.475 633 I N 3.316 123.902 120.570 0.027 0.000 2.512 633 I HA 0.425 4.596 4.170 0.001 0.000 0.287 633 I C -1.107 175.004 176.117 -0.010 0.000 1.069 633 I CA -0.555 60.739 61.300 -0.010 0.000 1.056 633 I CB 1.814 39.805 38.000 -0.016 0.000 1.229 633 I HN 0.422 nan 8.210 nan 0.000 0.429 634 L N 7.695 128.904 121.223 -0.022 0.000 2.333 634 L HA 0.659 4.999 4.340 0.001 0.000 0.280 634 L C -1.231 175.624 176.870 -0.024 0.000 1.004 634 L CA -0.358 54.477 54.840 -0.008 0.000 0.820 634 L CB 1.316 43.379 42.059 0.006 0.000 1.247 634 L HN 0.510 nan 8.230 nan 0.000 0.416 635 I N 4.878 125.442 120.570 -0.010 0.000 2.354 635 I HA 0.325 4.495 4.170 0.001 0.000 0.286 635 I C -0.440 175.676 176.117 -0.003 0.000 1.007 635 I CA -0.424 60.866 61.300 -0.018 0.000 1.167 635 I CB 1.391 39.382 38.000 -0.015 0.000 1.320 635 I HN 0.587 nan 8.210 nan 0.000 0.458 636 D N 5.008 125.396 120.400 -0.020 0.000 2.277 636 D HA 0.122 4.762 4.640 0.001 0.000 0.250 636 D C 0.395 176.668 176.300 -0.044 0.000 1.032 636 D CA -0.050 53.934 54.000 -0.026 0.000 0.947 636 D CB 1.454 42.236 40.800 -0.029 0.000 1.159 636 D HN 0.503 nan 8.370 nan 0.000 0.460 637 E N 0.287 120.445 120.200 -0.071 0.000 2.637 637 E HA -0.217 4.134 4.350 0.001 0.000 0.265 637 E C 1.018 177.569 176.600 -0.082 0.000 1.073 637 E CA 1.041 57.387 56.400 -0.090 0.000 0.778 637 E CB -1.474 28.188 29.700 -0.065 0.000 1.362 637 E HN 0.411 nan 8.360 nan 0.000 0.413 638 S N -2.745 112.911 115.700 -0.074 0.000 2.382 638 S HA -0.258 4.213 4.470 0.001 0.000 0.228 638 S C 2.057 176.642 174.600 -0.026 0.000 1.027 638 S CA 1.543 59.733 58.200 -0.016 0.000 0.991 638 S CB -0.909 62.341 63.200 0.083 0.000 0.823 638 S HN 0.555 nan 8.310 nan 0.000 0.469 639 T N -0.052 114.414 114.554 -0.147 0.000 2.802 639 T HA -0.235 4.115 4.350 0.001 0.000 0.269 639 T C 1.675 176.353 174.700 -0.038 0.000 1.062 639 T CA 1.610 63.637 62.100 -0.123 0.000 1.133 639 T CB -0.675 68.018 68.868 -0.291 0.000 0.852 639 T HN 0.520 nan 8.240 nan 0.000 0.485 640 Q N 0.878 120.649 119.800 -0.048 0.000 2.444 640 Q HA 0.414 4.754 4.340 0.001 0.000 0.206 640 Q C 0.374 176.373 176.000 -0.001 0.000 0.948 640 Q CA -0.012 55.779 55.803 -0.022 0.000 0.946 640 Q CB 0.054 28.773 28.738 -0.032 0.000 1.027 640 Q HN 0.753 nan 8.270 nan 0.000 0.513 641 A N 0.356 123.179 122.820 0.006 0.000 2.374 641 A HA 0.495 4.815 4.320 0.001 0.000 0.317 641 A C -0.049 177.551 177.584 0.028 0.000 1.094 641 A CA -0.596 51.446 52.037 0.008 0.000 0.765 641 A CB 1.035 20.029 19.000 -0.010 0.000 1.268 641 A HN 0.277 nan 8.150 nan 0.000 0.438 642 T N -0.586 113.985 114.554 0.028 0.000 2.856 642 T HA 0.154 4.504 4.350 0.001 0.000 0.306 642 T C 0.839 175.540 174.700 0.002 0.000 1.062 642 T CA 0.490 62.617 62.100 0.045 0.000 1.083 642 T CB 0.585 69.492 68.868 0.066 0.000 0.984 642 T HN 0.675 nan 8.240 nan 0.000 0.542 643 E N 1.735 121.926 120.200 -0.015 0.000 2.023 643 E HA -0.108 4.242 4.350 0.001 0.000 0.196 643 E C -0.621 175.854 176.600 -0.207 0.000 1.003 643 E CA 1.602 57.917 56.400 -0.141 0.000 0.809 643 E CB -1.231 28.281 29.700 -0.314 0.000 0.755 643 E HN 0.617 nan 8.360 nan 0.000 0.449 644 P HA -0.191 nan 4.420 nan 0.000 0.216 644 P C 1.137 178.381 177.300 -0.093 0.000 1.150 644 P CA 1.384 64.384 63.100 -0.167 0.000 0.843 644 P CB -0.050 31.612 31.700 -0.063 0.000 0.787 645 E N -0.923 119.234 120.200 -0.071 0.000 2.012 645 E HA -0.254 4.096 4.350 0.001 0.000 0.197 645 E C 1.793 178.348 176.600 -0.076 0.000 1.007 645 E CA 1.554 57.910 56.400 -0.072 0.000 0.816 645 E CB -0.798 28.867 29.700 -0.059 0.000 0.762 645 E HN 0.126 nan 8.360 nan 0.000 0.451 646 C N 0.281 119.540 119.300 -0.068 0.000 2.430 646 C HA -0.029 4.431 4.460 0.001 0.000 0.288 646 C C 2.411 177.347 174.990 -0.091 0.000 1.448 646 C CA 0.798 59.778 59.018 -0.063 0.000 1.784 646 C CB -0.983 26.736 27.740 -0.035 0.000 1.776 646 C HN 0.568 nan 8.230 nan 0.000 0.547 647 M N -0.646 118.885 119.600 -0.115 0.000 2.510 647 M HA 0.154 4.635 4.480 0.001 0.000 0.256 647 M C 1.720 177.940 176.300 -0.133 0.000 1.132 647 M CA 1.013 56.220 55.300 -0.155 0.000 1.105 647 M CB -0.171 32.321 32.600 -0.180 0.000 1.375 647 M HN 0.158 nan 8.290 nan 0.000 0.477 648 V N 1.529 121.386 119.914 -0.095 0.000 2.332 648 V HA -0.192 3.928 4.120 0.001 0.000 0.248 648 V C -0.731 175.323 176.094 -0.066 0.000 1.055 648 V CA 1.986 64.244 62.300 -0.070 0.000 1.038 648 V CB -1.837 29.948 31.823 -0.064 0.000 0.651 648 V HN 0.348 nan 8.190 nan 0.000 0.450 649 P HA -0.023 nan 4.420 nan 0.000 0.218 649 P C 1.927 179.190 177.300 -0.062 0.000 1.152 649 P CA 0.885 63.941 63.100 -0.074 0.000 0.826 649 P CB -0.056 31.584 31.700 -0.100 0.000 0.790 650 V N 0.546 120.401 119.914 -0.099 0.000 2.332 650 V HA -0.190 3.930 4.120 0.001 0.000 0.248 650 V C 2.312 178.333 176.094 -0.122 0.000 1.055 650 V CA 2.231 64.457 62.300 -0.123 0.000 1.038 650 V CB -1.526 30.177 31.823 -0.200 0.000 0.651 650 V HN 0.054 nan 8.190 nan 0.000 0.450 651 V N -2.104 117.731 119.914 -0.132 0.000 3.592 651 V HA 0.101 4.222 4.120 0.001 0.000 0.272 651 V C 1.423 177.503 176.094 -0.023 0.000 1.228 651 V CA 0.975 63.211 62.300 -0.107 0.000 1.173 651 V CB -1.021 30.744 31.823 -0.097 0.000 0.873 651 V HN 0.500 nan 8.190 nan 0.000 0.476 652 L N 1.646 122.880 121.223 0.019 0.000 2.688 652 L HA 0.582 4.922 4.340 0.001 0.000 0.234 652 L C 1.540 178.455 176.870 0.075 0.000 1.192 652 L CA 0.577 55.469 54.840 0.087 0.000 0.984 652 L CB -0.362 41.831 42.059 0.222 0.000 1.232 652 L HN 0.593 nan 8.230 nan 0.000 0.465 653 G N -0.440 108.377 108.800 0.028 0.000 2.151 653 G HA2 -0.138 3.822 3.960 0.001 0.000 0.140 653 G HA3 -0.138 3.822 3.960 0.001 0.000 0.140 653 G C 0.360 175.272 174.900 0.020 0.000 1.020 653 G CA -0.312 44.794 45.100 0.011 0.000 0.688 653 G HN 0.407 nan 8.290 nan 0.000 0.500 654 A N 0.126 122.958 122.820 0.019 0.000 2.567 654 A HA 0.513 4.833 4.320 0.001 0.000 0.240 654 A C 1.194 178.793 177.584 0.026 0.000 1.053 654 A CA 1.387 53.437 52.037 0.022 0.000 0.755 654 A CB 0.193 19.189 19.000 -0.007 0.000 0.978 654 A HN 0.472 nan 8.150 nan 0.000 0.507 655 K N 0.422 120.841 120.400 0.032 0.000 2.450 655 K HA 0.141 4.461 4.320 0.001 0.000 0.206 655 K C 0.191 176.811 176.600 0.032 0.000 1.148 655 K CA 0.235 56.543 56.287 0.035 0.000 1.014 655 K CB 0.841 33.354 32.500 0.022 0.000 0.966 655 K HN 0.811 nan 8.250 nan 0.000 0.566 656 Q N 1.613 121.431 119.800 0.029 0.000 2.275 656 Q HA 0.362 4.702 4.340 0.001 0.000 0.258 656 Q C -2.171 173.844 176.000 0.025 0.000 0.960 656 Q CA -0.601 55.215 55.803 0.023 0.000 0.801 656 Q CB 1.591 30.338 28.738 0.014 0.000 1.302 656 Q HN 0.042 nan 8.270 nan 0.000 0.433 657 L N 5.295 126.534 121.223 0.026 0.000 2.385 657 L HA 0.661 5.002 4.340 0.001 0.000 0.273 657 L C -1.803 175.081 176.870 0.023 0.000 0.990 657 L CA -0.567 54.284 54.840 0.018 0.000 0.821 657 L CB 1.802 43.864 42.059 0.006 0.000 1.279 657 L HN 0.602 nan 8.230 nan 0.000 0.412 658 I N 6.412 126.997 120.570 0.025 0.000 2.411 658 I HA 0.342 4.512 4.170 0.001 0.000 0.284 658 I C -0.818 175.335 176.117 0.060 0.000 1.012 658 I CA -0.495 60.829 61.300 0.039 0.000 1.119 658 I CB 1.363 39.385 38.000 0.036 0.000 1.261 658 I HN 0.519 nan 8.210 nan 0.000 0.448 659 L N 6.407 127.690 121.223 0.100 0.000 2.275 659 L HA 0.636 4.976 4.340 0.001 0.000 0.288 659 L C -0.230 176.807 176.870 0.278 0.000 1.046 659 L CA -0.829 54.122 54.840 0.185 0.000 0.805 659 L CB 1.832 44.040 42.059 0.248 0.000 1.193 659 L HN 0.291 nan 8.230 nan 0.000 0.426 660 V N 1.848 121.867 119.914 0.175 0.000 2.769 660 V HA 0.989 5.109 4.120 0.001 0.000 0.312 660 V C 0.392 176.426 176.094 -0.099 0.000 1.061 660 V CA -0.253 62.108 62.300 0.101 0.000 0.931 660 V CB 1.537 33.383 31.823 0.039 0.000 1.010 660 V HN 1.032 nan 8.190 nan 0.000 0.433 661 G N 2.309 110.957 108.800 -0.253 0.000 2.404 661 G HA2 0.487 4.447 3.960 0.001 0.000 0.253 661 G HA3 0.487 4.447 3.960 0.001 0.000 0.253 661 G C -2.168 172.437 174.900 -0.490 0.000 1.253 661 G CA 0.046 44.880 45.100 -0.443 0.000 0.917 661 G HN 0.780 nan 8.290 nan 0.000 0.480 662 D N -1.495 118.592 120.400 -0.521 0.000 2.400 662 D HA 0.203 4.843 4.640 0.001 0.000 0.197 662 D C 0.853 176.963 176.300 -0.316 0.000 1.295 662 D CA -0.246 53.523 54.000 -0.385 0.000 0.878 662 D CB 0.090 40.752 40.800 -0.230 0.000 1.659 662 D HN 0.607 nan 8.370 nan 0.000 0.546 663 H N 1.041 120.039 119.070 -0.120 0.000 2.559 663 H HA 0.055 4.612 4.556 0.001 0.000 0.273 663 H C 0.764 176.060 175.328 -0.052 0.000 1.000 663 H CA 0.321 56.341 56.048 -0.048 0.000 1.195 663 H CB -0.241 29.556 29.762 0.059 0.000 1.368 663 H HN 0.265 nan 8.280 nan 0.000 0.592 664 C N 1.057 120.185 119.300 -0.286 0.000 2.626 664 C HA 0.190 4.651 4.460 0.001 0.000 0.266 664 C C 1.059 175.811 174.990 -0.396 0.000 1.317 664 C CA -0.150 58.652 59.018 -0.360 0.000 1.716 664 C CB -0.842 26.559 27.740 -0.565 0.000 1.819 664 C HN 0.555 nan 8.230 nan 0.000 0.578 665 Q N -0.405 119.256 119.800 -0.233 0.000 2.576 665 Q HA 0.502 4.842 4.340 0.001 0.000 0.249 665 Q C -0.420 175.518 176.000 -0.103 0.000 1.041 665 Q CA -0.863 54.834 55.803 -0.176 0.000 0.928 665 Q CB 0.767 29.418 28.738 -0.146 0.000 1.302 665 Q HN 0.273 nan 8.270 nan 0.000 0.504 666 L N 1.771 122.954 121.223 -0.066 0.000 2.795 666 L HA -0.131 4.209 4.340 0.001 0.000 0.290 666 L C 0.670 177.529 176.870 -0.019 0.000 1.206 666 L CA 0.163 54.987 54.840 -0.025 0.000 0.919 666 L CB -0.592 41.461 42.059 -0.010 0.000 1.227 666 L HN 0.682 nan 8.230 nan 0.000 0.483 667 G N 4.507 113.311 108.800 0.006 0.000 2.531 667 G HA2 0.617 4.577 3.960 0.001 0.000 0.313 667 G HA3 0.617 4.577 3.960 0.001 0.000 0.313 667 G C -2.670 172.247 174.900 0.029 0.000 1.238 667 G CA -1.149 43.964 45.100 0.023 0.000 0.994 667 G HN 0.418 nan 8.290 nan 0.000 0.493 668 P HA 0.288 nan 4.420 nan 0.000 0.281 668 P C -0.371 176.957 177.300 0.048 0.000 1.252 668 P CA -0.436 62.689 63.100 0.042 0.000 0.778 668 P CB 1.382 33.113 31.700 0.052 0.000 0.895 669 V N 4.705 124.649 119.914 0.050 0.000 2.432 669 V HA 0.215 4.335 4.120 0.001 0.000 0.271 669 V C 0.533 176.666 176.094 0.065 0.000 1.046 669 V CA -0.279 62.055 62.300 0.057 0.000 0.945 669 V CB 0.929 32.790 31.823 0.063 0.000 0.992 669 V HN 0.345 nan 8.190 nan 0.000 0.471 670 V N 4.602 124.545 119.914 0.049 0.000 2.555 670 V HA 0.512 4.632 4.120 0.001 0.000 0.302 670 V C 0.422 176.508 176.094 -0.014 0.000 1.038 670 V CA -0.674 61.645 62.300 0.032 0.000 0.887 670 V CB 2.004 33.836 31.823 0.014 0.000 0.991 670 V HN 0.657 nan 8.190 nan 0.000 0.434 671 M N 1.783 121.351 119.600 -0.052 0.000 2.552 671 M HA 0.175 4.656 4.480 0.001 0.000 0.264 671 M C 1.137 177.047 176.300 -0.650 0.000 1.159 671 M CA 0.764 55.992 55.300 -0.120 0.000 1.176 671 M CB 0.055 32.733 32.600 0.130 0.000 1.327 671 M HN 0.777 nan 8.290 nan 0.000 0.481 672 C N 5.292 124.071 119.300 -0.868 0.000 2.289 672 C HA 0.149 4.609 4.460 0.001 0.000 0.340 672 C C 2.067 176.790 174.990 -0.445 0.000 1.152 672 C CA -0.619 57.719 59.018 -1.133 0.000 1.650 672 C CB -0.701 26.642 27.740 -0.662 0.000 2.203 672 C HN 0.513 nan 8.230 nan 0.000 0.511 673 K N 4.999 125.207 120.400 -0.319 0.000 2.089 673 K HA -0.269 4.052 4.320 0.001 0.000 0.210 673 K C 1.762 178.309 176.600 -0.089 0.000 1.048 673 K CA 2.200 58.410 56.287 -0.129 0.000 0.926 673 K CB -0.363 32.103 32.500 -0.057 0.000 0.714 673 K HN 0.756 nan 8.250 nan 0.000 0.448 674 K N 0.965 121.314 120.400 -0.085 0.000 2.020 674 K HA -0.144 4.176 4.320 0.001 0.000 0.212 674 K C 2.298 178.872 176.600 -0.043 0.000 1.050 674 K CA 1.749 58.010 56.287 -0.044 0.000 0.929 674 K CB -0.384 32.105 32.500 -0.019 0.000 0.714 674 K HN 0.296 nan 8.250 nan 0.000 0.443 675 A N 0.815 123.599 122.820 -0.059 0.000 1.883 675 A HA -0.134 4.187 4.320 0.001 0.000 0.217 675 A C 2.359 179.933 177.584 -0.017 0.000 1.186 675 A CA 2.076 54.095 52.037 -0.030 0.000 0.624 675 A CB -1.157 17.829 19.000 -0.022 0.000 0.822 675 A HN 0.521 nan 8.150 nan 0.000 0.444 676 A N 0.237 123.035 122.820 -0.036 0.000 1.859 676 A HA -0.293 4.027 4.320 0.001 0.000 0.218 676 A C 2.109 179.691 177.584 -0.003 0.000 1.209 676 A CA 2.715 54.745 52.037 -0.012 0.000 0.639 676 A CB -0.726 18.257 19.000 -0.028 0.000 0.835 676 A HN 0.620 nan 8.150 nan 0.000 0.450 677 K N -0.334 120.057 120.400 -0.015 0.000 1.987 677 K HA -0.105 4.216 4.320 0.001 0.000 0.216 677 K C 1.898 178.490 176.600 -0.014 0.000 1.051 677 K CA 1.934 58.215 56.287 -0.011 0.000 0.942 677 K CB -0.534 31.958 32.500 -0.013 0.000 0.722 677 K HN 0.357 nan 8.250 nan 0.000 0.444 678 A N -0.733 122.074 122.820 -0.022 0.000 2.248 678 A HA 0.128 4.448 4.320 0.001 0.000 0.210 678 A C 1.293 178.843 177.584 -0.056 0.000 1.174 678 A CA 1.186 53.201 52.037 -0.037 0.000 0.750 678 A CB -0.495 18.482 19.000 -0.039 0.000 0.780 678 A HN 0.750 nan 8.150 nan 0.000 0.478 679 G N -2.689 106.092 108.800 -0.032 0.000 2.456 679 G HA2 -0.055 3.906 3.960 0.001 0.000 0.208 679 G HA3 -0.055 3.906 3.960 0.001 0.000 0.208 679 G C 0.373 175.305 174.900 0.053 0.000 1.004 679 G CA 0.179 45.263 45.100 -0.027 0.000 0.791 679 G HN 0.382 nan 8.290 nan 0.000 0.537 680 L N 1.109 122.378 121.223 0.077 0.000 2.567 680 L HA 0.491 4.832 4.340 0.001 0.000 0.225 680 L C 2.249 179.201 176.870 0.136 0.000 1.119 680 L CA 1.950 56.882 54.840 0.153 0.000 0.871 680 L CB 0.218 42.353 42.059 0.127 0.000 1.036 680 L HN 0.210 nan 8.230 nan 0.000 0.459 681 S N -1.234 114.525 115.700 0.098 0.000 2.527 681 S HA 0.036 4.507 4.470 0.001 0.000 0.222 681 S C 0.990 175.649 174.600 0.099 0.000 0.985 681 S CA 0.045 58.295 58.200 0.082 0.000 0.921 681 S CB -0.067 63.166 63.200 0.055 0.000 0.772 681 S HN 0.488 nan 8.310 nan 0.000 0.529 682 Q N 1.714 121.591 119.800 0.129 0.000 2.257 682 Q HA 0.343 4.683 4.340 0.001 0.000 0.255 682 Q C -0.517 175.573 176.000 0.151 0.000 0.920 682 Q CA -0.424 55.460 55.803 0.136 0.000 0.927 682 Q CB 1.175 30.001 28.738 0.145 0.000 1.229 682 Q HN 0.323 nan 8.270 nan 0.000 0.433 683 S N 3.013 118.798 115.700 0.142 0.000 2.563 683 S HA -0.071 4.399 4.470 0.001 0.000 0.269 683 S C 1.238 175.934 174.600 0.161 0.000 1.364 683 S CA -0.242 58.050 58.200 0.153 0.000 1.010 683 S CB 0.442 63.767 63.200 0.208 0.000 0.877 683 S HN 0.733 nan 8.310 nan 0.000 0.549 684 L N 0.424 121.727 121.223 0.134 0.000 2.056 684 L HA -0.040 4.300 4.340 0.001 0.000 0.207 684 L C 2.050 179.005 176.870 0.141 0.000 1.078 684 L CA 1.205 56.110 54.840 0.107 0.000 0.749 684 L CB -0.263 41.824 42.059 0.046 0.000 0.901 684 L HN 0.724 nan 8.230 nan 0.000 0.433 685 F N 1.152 121.127 119.950 0.042 0.000 2.015 685 F HA -0.364 4.163 4.527 0.001 0.000 0.297 685 F C 2.449 178.290 175.800 0.067 0.000 1.141 685 F CA 2.382 60.417 58.000 0.057 0.000 1.192 685 F CB -0.225 38.816 39.000 0.069 0.000 0.957 685 F HN 0.071 nan 8.300 nan 0.000 0.491 686 E N -0.377 120.033 120.200 0.351 0.000 2.097 686 E HA -0.310 4.041 4.350 0.001 0.000 0.196 686 E C 2.324 178.974 176.600 0.082 0.000 1.000 686 E CA 1.516 58.031 56.400 0.192 0.000 0.804 686 E CB -0.294 29.501 29.700 0.159 0.000 0.740 686 E HN 0.337 nan 8.360 nan 0.000 0.454 687 R N 0.601 121.167 120.500 0.109 0.000 2.127 687 R HA -0.141 4.200 4.340 0.001 0.000 0.238 687 R C 2.182 178.520 176.300 0.064 0.000 1.134 687 R CA 1.006 57.173 56.100 0.111 0.000 0.975 687 R CB -0.083 30.327 30.300 0.183 0.000 0.865 687 R HN 0.180 nan 8.270 nan 0.000 0.447 688 L N -0.287 120.941 121.223 0.010 0.000 2.131 688 L HA -0.102 4.238 4.340 0.001 0.000 0.206 688 L C 2.340 179.163 176.870 -0.077 0.000 1.087 688 L CA 0.575 55.390 54.840 -0.043 0.000 0.767 688 L CB -0.245 41.756 42.059 -0.097 0.000 0.917 688 L HN 0.070 nan 8.230 nan 0.000 0.441 689 V N -0.404 119.437 119.914 -0.122 0.000 2.255 689 V HA -0.302 3.818 4.120 0.001 0.000 0.247 689 V C 2.498 178.573 176.094 -0.032 0.000 1.051 689 V CA 1.781 64.026 62.300 -0.091 0.000 1.018 689 V CB -0.410 31.370 31.823 -0.072 0.000 0.641 689 V HN 0.181 nan 8.190 nan 0.000 0.445 690 V N -0.283 119.623 119.914 -0.013 0.000 2.278 690 V HA -0.326 3.794 4.120 0.001 0.000 0.251 690 V C 2.251 178.351 176.094 0.010 0.000 1.062 690 V CA 2.361 64.664 62.300 0.004 0.000 1.038 690 V CB -0.590 31.246 31.823 0.022 0.000 0.646 690 V HN 0.487 nan 8.190 nan 0.000 0.447 691 L N -0.103 121.130 121.223 0.017 0.000 2.549 691 L HA 0.089 4.429 4.340 0.001 0.000 0.229 691 L C 1.706 178.580 176.870 0.007 0.000 1.158 691 L CA 1.068 55.920 54.840 0.021 0.000 0.842 691 L CB -0.424 41.656 42.059 0.035 0.000 0.952 691 L HN 0.624 nan 8.230 nan 0.000 0.452 692 G N -0.544 108.254 108.800 -0.004 0.000 2.163 692 G HA2 -0.197 3.764 3.960 0.001 0.000 0.213 692 G HA3 -0.197 3.764 3.960 0.001 0.000 0.213 692 G C 0.252 175.149 174.900 -0.005 0.000 0.991 692 G CA -0.318 44.781 45.100 -0.002 0.000 0.653 692 G HN 0.110 nan 8.290 nan 0.000 0.518 693 I N 0.734 121.291 120.570 -0.023 0.000 2.533 693 I HA 0.370 4.541 4.170 0.001 0.000 0.284 693 I C 0.936 177.030 176.117 -0.037 0.000 1.109 693 I CA -0.411 60.872 61.300 -0.028 0.000 1.412 693 I CB 0.311 38.276 38.000 -0.058 0.000 1.396 693 I HN 0.072 nan 8.210 nan 0.000 0.543 694 R N 6.849 127.346 120.500 -0.004 0.000 2.216 694 R HA 0.373 4.714 4.340 0.001 0.000 0.332 694 R C -2.228 174.084 176.300 0.020 0.000 1.056 694 R CA -1.335 54.775 56.100 0.017 0.000 0.901 694 R CB 0.507 30.833 30.300 0.043 0.000 1.039 694 R HN 0.426 nan 8.270 nan 0.000 0.456 695 P HA 0.025 nan 4.420 nan 0.000 0.269 695 P C -0.466 176.903 177.300 0.114 0.000 1.209 695 P CA -0.014 63.123 63.100 0.062 0.000 0.776 695 P CB 0.598 32.391 31.700 0.156 0.000 0.876 696 I N 3.073 123.718 120.570 0.125 0.000 2.352 696 I HA 0.183 4.353 4.170 0.001 0.000 0.290 696 I C 0.961 177.162 176.117 0.140 0.000 1.036 696 I CA -0.347 61.046 61.300 0.156 0.000 1.336 696 I CB 0.482 38.572 38.000 0.151 0.000 1.407 696 I HN 0.158 nan 8.210 nan 0.000 0.497 697 R N 5.943 126.516 120.500 0.121 0.000 2.357 697 R HA 0.467 4.807 4.340 0.001 0.000 0.296 697 R C -0.765 175.569 176.300 0.058 0.000 1.052 697 R CA -0.388 55.761 56.100 0.082 0.000 0.988 697 R CB 0.662 31.000 30.300 0.064 0.000 1.025 697 R HN 0.532 nan 8.270 nan 0.000 0.469 698 L N 3.314 124.550 121.223 0.023 0.000 2.360 698 L HA 0.098 4.438 4.340 0.001 0.000 0.276 698 L C 1.099 177.947 176.870 -0.036 0.000 1.121 698 L CA -0.150 54.696 54.840 0.009 0.000 0.845 698 L CB 1.180 43.238 42.059 -0.002 0.000 1.143 698 L HN 0.589 nan 8.230 nan 0.000 0.452 699 Q N 2.365 122.155 119.800 -0.018 0.000 2.250 699 Q HA 0.101 4.441 4.340 0.001 0.000 0.200 699 Q C -0.058 175.883 176.000 -0.098 0.000 0.941 699 Q CA 0.668 56.443 55.803 -0.046 0.000 0.872 699 Q CB 0.586 29.316 28.738 -0.013 0.000 0.965 699 Q HN 0.527 nan 8.270 nan 0.000 0.480 700 V N 1.678 121.529 119.914 -0.105 0.000 2.630 700 V HA 0.457 4.577 4.120 0.001 0.000 0.305 700 V C -0.593 175.293 176.094 -0.347 0.000 1.046 700 V CA -0.965 61.186 62.300 -0.248 0.000 0.934 700 V CB 1.546 33.203 31.823 -0.276 0.000 1.003 700 V HN 0.246 nan 8.190 nan 0.000 0.451 701 Q N 2.022 121.528 119.800 -0.490 0.000 2.365 701 Q HA 0.554 4.894 4.340 0.001 0.000 0.269 701 Q C -1.238 174.406 176.000 -0.593 0.000 1.061 701 Q CA -0.426 55.135 55.803 -0.402 0.000 0.816 701 Q CB 1.534 30.124 28.738 -0.247 0.000 1.325 701 Q HN 0.614 nan 8.270 nan 0.000 0.446 702 Y N 0.507 120.748 120.300 -0.098 0.000 2.500 702 Y HA 0.360 4.910 4.550 0.001 0.000 0.246 702 Y C 1.747 177.575 175.900 -0.120 0.000 1.146 702 Y CA -0.465 57.575 58.100 -0.099 0.000 1.230 702 Y CB 0.821 39.231 38.460 -0.083 0.000 1.214 702 Y HN 0.717 nan 8.280 nan 0.000 0.526 703 R N 1.199 121.682 120.500 -0.029 0.000 2.052 703 R HA 0.094 4.434 4.340 0.001 0.000 0.224 703 R C 0.719 176.926 176.300 -0.155 0.000 1.149 703 R CA 0.856 56.908 56.100 -0.080 0.000 0.962 703 R CB 0.142 30.401 30.300 -0.069 0.000 0.856 703 R HN 0.174 nan 8.270 nan 0.000 0.433 704 M N -0.006 119.510 119.600 -0.140 0.000 2.537 704 M HA 0.302 4.783 4.480 0.001 0.000 0.324 704 M C -0.437 175.795 176.300 -0.114 0.000 1.187 704 M CA -0.795 54.422 55.300 -0.139 0.000 0.993 704 M CB 1.390 33.939 32.600 -0.086 0.000 1.666 704 M HN -0.010 nan 8.290 nan 0.000 0.461 705 H N 2.348 121.303 119.070 -0.192 0.000 3.001 705 H HA 0.090 4.646 4.556 0.001 0.000 0.334 705 H C -1.990 173.281 175.328 -0.094 0.000 1.034 705 H CA -0.250 55.715 56.048 -0.138 0.000 1.420 705 H CB 0.953 30.637 29.762 -0.129 0.000 1.405 705 H HN 0.473 nan 8.280 nan 0.000 0.593 706 P HA -0.247 nan 4.420 nan 0.000 0.219 706 P C 1.145 178.497 177.300 0.087 0.000 1.161 706 P CA 2.716 65.780 63.100 -0.060 0.000 0.909 706 P CB -0.101 31.518 31.700 -0.135 0.000 0.793 707 A N -1.095 121.868 122.820 0.238 0.000 1.978 707 A HA -0.176 4.145 4.320 0.001 0.000 0.220 707 A C 2.172 179.824 177.584 0.115 0.000 1.170 707 A CA 1.548 53.683 52.037 0.163 0.000 0.636 707 A CB -1.616 17.452 19.000 0.114 0.000 0.810 707 A HN 0.163 nan 8.150 nan 0.000 0.448 708 L N 0.186 121.466 121.223 0.095 0.000 2.217 708 L HA -0.102 4.238 4.340 0.001 0.000 0.211 708 L C 2.621 179.533 176.870 0.071 0.000 1.107 708 L CA 1.404 56.280 54.840 0.060 0.000 0.783 708 L CB -0.407 41.661 42.059 0.014 0.000 0.919 708 L HN 0.541 nan 8.230 nan 0.000 0.442 709 S N -0.527 115.204 115.700 0.051 0.000 2.524 709 S HA 0.170 4.640 4.470 0.001 0.000 0.216 709 S C 2.044 176.674 174.600 0.049 0.000 0.987 709 S CA 0.271 58.491 58.200 0.034 0.000 0.909 709 S CB 0.142 63.329 63.200 -0.020 0.000 0.781 709 S HN 0.272 nan 8.310 nan 0.000 0.521 710 A N 2.255 125.116 122.820 0.068 0.000 1.841 710 A HA 0.007 4.327 4.320 0.001 0.000 0.216 710 A C 1.888 179.451 177.584 -0.036 0.000 1.199 710 A CA 1.629 53.699 52.037 0.055 0.000 0.621 710 A CB -1.312 17.780 19.000 0.153 0.000 0.835 710 A HN 0.561 nan 8.150 nan 0.000 0.445 711 F N 1.433 121.218 119.950 -0.274 0.000 2.102 711 F HA -0.047 4.480 4.527 0.001 0.000 0.298 711 F C -0.704 174.998 175.800 -0.164 0.000 1.105 711 F CA 1.852 59.590 58.000 -0.436 0.000 1.239 711 F CB -1.082 37.641 39.000 -0.461 0.000 0.991 711 F HN 0.166 nan 8.300 nan 0.000 0.474 712 P HA -0.190 nan 4.420 nan 0.000 0.216 712 P C 2.075 179.414 177.300 0.065 0.000 1.153 712 P CA 2.284 65.402 63.100 0.029 0.000 0.848 712 P CB -0.310 31.500 31.700 0.183 0.000 0.787 713 S N -0.472 115.283 115.700 0.091 0.000 2.359 713 S HA -0.220 4.250 4.470 0.001 0.000 0.224 713 S C 1.970 176.565 174.600 -0.007 0.000 1.035 713 S CA 1.666 59.959 58.200 0.155 0.000 1.018 713 S CB -1.378 61.864 63.200 0.071 0.000 0.876 713 S HN 0.009 nan 8.310 nan 0.000 0.448 714 N N 1.678 120.286 118.700 -0.154 0.000 2.188 714 N HA 0.029 4.769 4.740 0.001 0.000 0.184 714 N C 1.767 177.074 175.510 -0.338 0.000 1.018 714 N CA 1.458 54.379 53.050 -0.215 0.000 0.858 714 N CB -0.461 37.889 38.487 -0.228 0.000 0.989 714 N HN 0.419 nan 8.380 nan 0.000 0.426 715 I N -0.482 119.741 120.570 -0.577 0.000 2.277 715 I HA -0.088 4.082 4.170 0.001 0.000 0.243 715 I C 1.589 177.218 176.117 -0.813 0.000 1.094 715 I CA 1.115 61.934 61.300 -0.802 0.000 1.393 715 I CB -0.934 36.307 38.000 -1.264 0.000 1.078 715 I HN -0.018 nan 8.210 nan 0.000 0.417 716 F N -0.935 118.680 119.950 -0.559 0.000 2.559 716 F HA 0.030 4.557 4.527 0.001 0.000 0.286 716 F C 1.306 176.561 175.800 -0.908 0.000 1.108 716 F CA 0.259 57.766 58.000 -0.822 0.000 1.436 716 F CB -0.193 38.077 39.000 -1.217 0.000 1.130 716 F HN -0.085 nan 8.300 nan 0.000 0.584 717 Y N 1.113 121.445 120.300 0.054 0.000 2.720 717 Y HA 0.181 4.731 4.550 0.001 0.000 0.277 717 Y C 0.331 176.221 175.900 -0.016 0.000 1.144 717 Y CA -0.982 57.128 58.100 0.016 0.000 1.221 717 Y CB -0.809 37.651 38.460 -0.001 0.000 1.163 717 Y HN 0.043 nan 8.280 nan 0.000 0.537 718 E N -0.441 119.752 120.200 -0.012 0.000 2.165 718 E HA -0.297 4.053 4.350 0.001 0.000 0.203 718 E C 0.900 177.499 176.600 -0.002 0.000 1.335 718 E CA 0.998 57.383 56.400 -0.026 0.000 0.708 718 E CB -2.132 27.562 29.700 -0.009 0.000 1.105 718 E HN 0.852 nan 8.360 nan 0.000 0.346 719 G N 0.365 109.162 108.800 -0.006 0.000 2.296 719 G HA2 -0.420 3.541 3.960 0.001 0.000 0.282 719 G HA3 -0.420 3.541 3.960 0.001 0.000 0.282 719 G C 0.766 175.676 174.900 0.018 0.000 1.014 719 G CA 1.431 46.532 45.100 0.002 0.000 0.812 719 G HN 1.223 nan 8.290 nan 0.000 0.508 720 S N -1.839 113.885 115.700 0.040 0.000 2.502 720 S HA 0.408 4.878 4.470 0.001 0.000 0.215 720 S C 0.932 175.534 174.600 0.003 0.000 1.009 720 S CA 0.104 58.318 58.200 0.023 0.000 0.908 720 S CB 0.500 63.719 63.200 0.033 0.000 0.801 720 S HN 0.646 nan 8.310 nan 0.000 0.505 721 L N 3.306 124.534 121.223 0.009 0.000 2.615 721 L HA 0.204 4.544 4.340 0.001 0.000 0.271 721 L C 0.318 177.142 176.870 -0.076 0.000 1.183 721 L CA 0.627 55.434 54.840 -0.055 0.000 0.933 721 L CB -0.216 41.802 42.059 -0.068 0.000 1.199 721 L HN 0.303 nan 8.230 nan 0.000 0.487 722 Q N 3.023 122.762 119.800 -0.102 0.000 2.454 722 Q HA 0.200 4.540 4.340 0.001 0.000 0.247 722 Q C -0.483 175.409 176.000 -0.179 0.000 1.028 722 Q CA 0.410 56.141 55.803 -0.120 0.000 0.910 722 Q CB 0.505 29.172 28.738 -0.118 0.000 1.276 722 Q HN 0.531 nan 8.270 nan 0.000 0.489 723 N N 0.256 118.850 118.700 -0.177 0.000 2.479 723 N HA 0.223 4.963 4.740 0.001 0.000 0.261 723 N C -0.010 175.341 175.510 -0.266 0.000 0.979 723 N CA -0.081 52.837 53.050 -0.221 0.000 0.930 723 N CB 1.848 40.239 38.487 -0.160 0.000 1.172 723 N HN 0.795 nan 8.380 nan 0.000 0.499 724 G N 0.569 109.098 108.800 -0.452 0.000 2.623 724 G HA2 0.028 3.989 3.960 0.001 0.000 0.214 724 G HA3 0.028 3.989 3.960 0.001 0.000 0.214 724 G C 0.404 175.230 174.900 -0.124 0.000 1.138 724 G CA 0.344 45.161 45.100 -0.472 0.000 0.794 724 G HN 0.414 nan 8.290 nan 0.000 0.535 725 V N 0.227 120.055 119.914 -0.142 0.000 2.417 725 V HA 0.652 4.773 4.120 0.001 0.000 0.291 725 V C 0.275 176.290 176.094 -0.131 0.000 1.024 725 V CA -0.761 61.489 62.300 -0.083 0.000 0.861 725 V CB 0.628 32.400 31.823 -0.086 0.000 0.985 725 V HN 0.177 nan 8.190 nan 0.000 0.436 726 T N 1.741 116.235 114.554 -0.099 0.000 2.813 726 T HA 0.533 4.884 4.350 0.001 0.000 0.297 726 T C 1.490 176.073 174.700 -0.195 0.000 1.036 726 T CA 0.150 62.177 62.100 -0.122 0.000 1.044 726 T CB 1.374 70.204 68.868 -0.063 0.000 0.993 726 T HN 1.344 nan 8.240 nan 0.000 0.535 727 A N 1.149 123.816 122.820 -0.254 0.000 1.940 727 A HA 0.106 4.426 4.320 0.001 0.000 0.219 727 A C 2.652 180.198 177.584 -0.063 0.000 1.176 727 A CA 1.935 53.751 52.037 -0.369 0.000 0.631 727 A CB -1.588 17.290 19.000 -0.202 0.000 0.814 727 A HN 1.241 nan 8.150 nan 0.000 0.446 728 A N 0.429 123.244 122.820 -0.009 0.000 1.873 728 A HA -0.237 4.083 4.320 0.001 0.000 0.218 728 A C 1.651 179.280 177.584 0.076 0.000 1.193 728 A CA 2.093 54.162 52.037 0.054 0.000 0.629 728 A CB -0.799 18.224 19.000 0.038 0.000 0.826 728 A HN 0.480 nan 8.150 nan 0.000 0.447 729 D N -1.613 118.807 120.400 0.034 0.000 2.348 729 D HA 0.016 4.657 4.640 0.001 0.000 0.216 729 D C 1.463 177.822 176.300 0.098 0.000 0.970 729 D CA 0.795 54.828 54.000 0.055 0.000 0.889 729 D CB -0.024 40.785 40.800 0.016 0.000 0.912 729 D HN 0.319 nan 8.370 nan 0.000 0.524 730 R N 0.379 120.943 120.500 0.107 0.000 2.791 730 R HA 0.259 4.599 4.340 0.001 0.000 0.357 730 R C -1.100 175.494 176.300 0.489 0.000 1.173 730 R CA -0.193 56.017 56.100 0.182 0.000 1.060 730 R CB 0.456 30.747 30.300 -0.014 0.000 1.406 730 R HN -0.066 nan 8.270 nan 0.000 0.580 731 V N 1.185 121.349 119.914 0.416 0.000 2.398 731 V HA 0.418 4.538 4.120 0.001 0.000 0.286 731 V C -0.695 175.547 176.094 0.246 0.000 1.026 731 V CA -0.977 61.543 62.300 0.367 0.000 0.868 731 V CB 1.341 33.339 31.823 0.292 0.000 0.982 731 V HN 0.072 nan 8.190 nan 0.000 0.443 732 K N 5.491 125.919 120.400 0.047 0.000 2.349 732 K HA 0.247 4.568 4.320 0.001 0.000 0.288 732 K C 0.139 176.743 176.600 0.006 0.000 1.058 732 K CA -0.089 56.036 56.287 -0.270 0.000 0.953 732 K CB 0.390 32.470 32.500 -0.701 0.000 0.997 732 K HN 0.764 nan 8.250 nan 0.000 0.477 733 K N 2.954 123.354 120.400 0.001 0.000 2.253 733 K HA 0.238 4.558 4.320 0.001 0.000 0.273 733 K C 0.759 177.406 176.600 0.078 0.000 1.118 733 K CA 0.534 56.855 56.287 0.058 0.000 1.100 733 K CB -0.405 32.123 32.500 0.048 0.000 0.932 733 K HN 0.680 nan 8.250 nan 0.000 0.433 734 G N 1.827 110.703 108.800 0.127 0.000 2.168 734 G HA2 -0.236 3.725 3.960 0.001 0.000 0.197 734 G HA3 -0.236 3.725 3.960 0.001 0.000 0.197 734 G C -0.623 174.415 174.900 0.231 0.000 0.997 734 G CA -0.640 44.544 45.100 0.139 0.000 0.658 734 G HN 0.507 nan 8.290 nan 0.000 0.513 735 F N 2.240 122.224 119.950 0.056 0.000 2.456 735 F HA 0.536 5.063 4.527 0.001 0.000 0.358 735 F C 0.059 175.913 175.800 0.089 0.000 1.095 735 F CA -1.061 56.986 58.000 0.079 0.000 1.216 735 F CB 1.235 40.319 39.000 0.139 0.000 1.125 735 F HN -0.015 nan 8.300 nan 0.000 0.549 736 D N 5.883 126.129 120.400 -0.257 0.000 3.068 736 D HA 0.096 4.736 4.640 0.001 0.000 0.327 736 D C -0.912 175.176 176.300 -0.354 0.000 1.361 736 D CA 0.361 54.231 54.000 -0.215 0.000 0.877 736 D CB -0.376 40.339 40.800 -0.142 0.000 1.088 736 D HN 0.298 nan 8.370 nan 0.000 0.489 737 F N 2.277 121.833 119.950 -0.656 0.000 2.931 737 F HA 0.151 4.679 4.527 0.001 0.000 0.375 737 F C -0.293 175.167 175.800 -0.566 0.000 1.243 737 F CA -0.868 56.660 58.000 -0.788 0.000 1.206 737 F CB 0.691 38.833 39.000 -1.430 0.000 1.643 737 F HN -0.137 nan 8.300 nan 0.000 0.593 738 Q N 2.044 121.609 119.800 -0.390 0.000 2.332 738 Q HA 0.277 4.617 4.340 0.001 0.000 0.263 738 Q C -1.347 174.473 176.000 -0.301 0.000 0.979 738 Q CA -0.294 55.410 55.803 -0.165 0.000 0.885 738 Q CB 1.002 29.694 28.738 -0.076 0.000 1.218 738 Q HN 0.525 nan 8.270 nan 0.000 0.405 739 W N 2.470 123.816 121.300 0.077 0.000 2.436 739 W HA 0.331 4.991 4.660 0.000 0.000 0.347 739 W C -1.538 175.009 176.519 0.047 0.000 1.136 739 W CA -2.243 55.189 57.345 0.145 0.000 1.286 739 W CB 0.005 29.652 29.460 0.312 0.000 1.253 739 W HN 0.590 nan 8.180 nan 0.000 0.617 740 P HA -0.223 nan 4.420 nan 0.000 0.218 740 P C -0.042 177.340 177.300 0.136 0.000 1.147 740 P CA 1.581 64.739 63.100 0.098 0.000 0.827 740 P CB 0.245 31.978 31.700 0.055 0.000 0.778 741 Q N -2.284 117.647 119.800 0.219 0.000 2.292 741 Q HA 0.281 4.622 4.340 0.001 0.000 0.270 741 Q C -2.200 173.913 176.000 0.188 0.000 1.024 741 Q CA -2.286 53.609 55.803 0.153 0.000 0.768 741 Q CB 1.506 30.306 28.738 0.103 0.000 1.250 741 Q HN -0.162 nan 8.270 nan 0.000 0.447 742 P HA -0.112 nan 4.420 nan 0.000 0.226 742 P C -0.548 176.841 177.300 0.148 0.000 1.146 742 P CA 1.246 64.449 63.100 0.172 0.000 0.773 742 P CB 0.522 32.294 31.700 0.120 0.000 0.772 743 D N -1.592 118.868 120.400 0.099 0.000 2.338 743 D HA 0.013 4.654 4.640 0.001 0.000 0.224 743 D C 0.349 176.638 176.300 -0.017 0.000 0.967 743 D CA 0.913 54.959 54.000 0.077 0.000 0.896 743 D CB -0.380 40.463 40.800 0.072 0.000 1.028 743 D HN 0.007 nan 8.370 nan 0.000 0.493 744 K N 1.233 121.596 120.400 -0.061 0.000 2.292 744 K HA 0.323 4.643 4.320 0.001 0.000 0.270 744 K C -2.412 173.949 176.600 -0.397 0.000 1.062 744 K CA -1.989 54.187 56.287 -0.185 0.000 0.916 744 K CB 1.746 34.200 32.500 -0.077 0.000 1.166 744 K HN -0.115 nan 8.250 nan 0.000 0.458 745 P HA 0.008 nan 4.420 nan 0.000 0.249 745 P C -0.975 175.717 177.300 -1.013 0.000 1.686 745 P CA 0.244 62.448 63.100 -1.493 0.000 0.873 745 P CB -0.260 30.745 31.700 -1.158 0.000 1.828 746 M N -0.618 118.763 119.600 -0.365 0.000 2.569 746 M HA 0.766 5.247 4.480 0.001 0.000 0.279 746 M C -1.347 175.204 176.300 0.419 0.000 1.253 746 M CA -1.205 54.108 55.300 0.021 0.000 0.867 746 M CB 2.480 35.117 32.600 0.061 0.000 1.727 746 M HN -0.119 nan 8.290 nan 0.000 0.467 747 F N -0.427 119.804 119.950 0.468 0.000 2.741 747 F HA 0.770 5.298 4.527 0.001 0.000 0.311 747 F C -2.594 173.474 175.800 0.447 0.000 1.149 747 F CA -1.530 56.779 58.000 0.515 0.000 0.930 747 F CB 1.184 40.449 39.000 0.440 0.000 1.312 747 F HN 0.640 nan 8.300 nan 0.000 0.450 748 F N 3.066 123.343 119.950 0.546 0.000 2.388 748 F HA 0.529 5.056 4.527 0.001 0.000 0.358 748 F C -1.295 174.783 175.800 0.464 0.000 1.122 748 F CA -1.025 57.143 58.000 0.279 0.000 1.056 748 F CB 0.854 39.850 39.000 -0.007 0.000 1.155 748 F HN 0.650 nan 8.300 nan 0.000 0.461 749 Y N 6.426 126.886 120.300 0.266 0.000 2.327 749 Y HA 0.540 5.091 4.550 0.001 0.000 0.336 749 Y C -0.904 175.131 175.900 0.224 0.000 1.035 749 Y CA -0.719 57.571 58.100 0.316 0.000 1.165 749 Y CB 1.050 39.700 38.460 0.316 0.000 1.181 749 Y HN 0.329 nan 8.280 nan 0.000 0.494 750 V N 5.994 125.999 119.914 0.152 0.000 2.498 750 V HA 0.351 4.471 4.120 0.001 0.000 0.279 750 V C -0.167 176.043 176.094 0.193 0.000 1.048 750 V CA -0.113 62.339 62.300 0.253 0.000 0.967 750 V CB 1.301 33.195 31.823 0.119 0.000 0.988 750 V HN 0.874 nan 8.190 nan 0.000 0.473 751 T N 4.749 119.448 114.554 0.241 0.000 2.991 751 T HA 0.339 4.690 4.350 0.001 0.000 0.303 751 T C -0.328 174.438 174.700 0.109 0.000 1.015 751 T CA -0.510 61.707 62.100 0.194 0.000 1.007 751 T CB 1.520 70.513 68.868 0.208 0.000 1.034 751 T HN 0.664 nan 8.240 nan 0.000 0.446 752 Q N 1.953 121.796 119.800 0.072 0.000 2.553 752 Q HA 0.318 4.658 4.340 0.001 0.000 0.395 752 Q C 0.785 176.794 176.000 0.015 0.000 0.971 752 Q CA -0.538 55.285 55.803 0.034 0.000 1.090 752 Q CB 1.021 29.772 28.738 0.023 0.000 1.328 752 Q HN 0.831 nan 8.270 nan 0.000 0.413 753 G N 0.834 109.639 108.800 0.009 0.000 2.606 753 G HA2 0.095 4.056 3.960 0.001 0.000 0.252 753 G HA3 0.095 4.056 3.960 0.001 0.000 0.252 753 G C -0.278 174.595 174.900 -0.044 0.000 1.206 753 G CA -0.239 44.849 45.100 -0.020 0.000 0.861 753 G HN 0.265 nan 8.290 nan 0.000 0.561 754 Q N -0.315 119.449 119.800 -0.061 0.000 2.314 754 Q HA 0.295 4.636 4.340 0.001 0.000 0.257 754 Q C 0.187 176.127 176.000 -0.100 0.000 0.975 754 Q CA -0.384 55.376 55.803 -0.071 0.000 0.933 754 Q CB 0.932 29.632 28.738 -0.063 0.000 1.195 754 Q HN 0.620 nan 8.270 nan 0.000 0.426 755 E N 3.335 123.470 120.200 -0.108 0.000 2.415 755 E HA 0.021 4.371 4.350 0.001 0.000 0.263 755 E C -1.068 175.464 176.600 -0.114 0.000 0.995 755 E CA 0.175 56.489 56.400 -0.144 0.000 0.915 755 E CB 0.386 29.977 29.700 -0.182 0.000 0.951 755 E HN 0.599 nan 8.360 nan 0.000 0.449 756 E N 3.683 123.825 120.200 -0.097 0.000 2.366 756 E HA 0.344 4.695 4.350 0.001 0.000 0.278 756 E C -0.910 175.715 176.600 0.042 0.000 0.923 756 E CA -1.127 55.249 56.400 -0.041 0.000 0.761 756 E CB 0.849 30.501 29.700 -0.080 0.000 1.231 756 E HN 0.495 nan 8.360 nan 0.000 0.443 757 I N 1.930 122.529 120.570 0.047 0.000 2.836 757 I HA 0.276 4.447 4.170 0.001 0.000 0.285 757 I C 0.206 176.251 176.117 -0.120 0.000 1.174 757 I CA 0.251 61.516 61.300 -0.059 0.000 1.405 757 I CB 0.829 38.781 38.000 -0.080 0.000 1.385 757 I HN 0.766 nan 8.210 nan 0.000 0.594 758 A N 4.785 127.486 122.820 -0.198 0.000 2.561 758 A HA 0.084 4.404 4.320 0.001 0.000 0.234 758 A C 1.321 178.865 177.584 -0.067 0.000 1.055 758 A CA 0.667 52.632 52.037 -0.120 0.000 0.756 758 A CB -0.167 18.757 19.000 -0.126 0.000 0.986 758 A HN 0.878 nan 8.150 nan 0.000 0.505 759 S N 0.124 115.809 115.700 -0.026 0.000 2.442 759 S HA 0.002 4.473 4.470 0.001 0.000 0.236 759 S C 0.941 175.540 174.600 -0.001 0.000 1.007 759 S CA 1.596 59.794 58.200 -0.003 0.000 0.965 759 S CB -0.133 63.087 63.200 0.033 0.000 0.773 759 S HN 1.014 nan 8.310 nan 0.000 0.504 760 S N -0.389 115.309 115.700 -0.003 0.000 2.387 760 S HA 0.570 5.040 4.470 0.001 0.000 0.211 760 S C -0.217 174.379 174.600 -0.007 0.000 1.055 760 S CA 0.122 58.322 58.200 0.001 0.000 1.133 760 S CB 0.149 63.363 63.200 0.022 0.000 1.235 760 S HN 0.642 nan 8.310 nan 0.000 0.425 761 G N 2.137 110.917 108.800 -0.033 0.000 2.288 761 G HA2 0.138 4.099 3.960 0.001 0.000 0.227 761 G HA3 0.138 4.099 3.960 0.001 0.000 0.227 761 G C 0.201 175.038 174.900 -0.105 0.000 1.339 761 G CA 0.520 45.592 45.100 -0.047 0.000 1.057 761 G HN 1.319 nan 8.290 nan 0.000 0.470 762 T N -2.159 112.312 114.554 -0.139 0.000 3.087 762 T HA 0.523 4.874 4.350 0.001 0.000 0.283 762 T C 1.162 175.614 174.700 -0.414 0.000 0.956 762 T CA 1.306 63.263 62.100 -0.238 0.000 0.894 762 T CB -0.159 68.623 68.868 -0.144 0.000 1.160 762 T HN 1.667 nan 8.240 nan 0.000 0.532 763 S N 0.565 116.089 115.700 -0.293 0.000 2.652 763 S HA 0.696 5.166 4.470 0.001 0.000 0.267 763 S C -0.923 173.357 174.600 -0.533 0.000 1.201 763 S CA -0.645 57.390 58.200 -0.276 0.000 0.996 763 S CB 0.216 63.438 63.200 0.036 0.000 1.054 763 S HN 0.336 nan 8.310 nan 0.000 0.561 764 Y N -0.278 119.874 120.300 -0.247 0.000 2.536 764 Y HA 0.714 5.265 4.550 0.001 0.000 0.347 764 Y C -0.061 175.608 175.900 -0.386 0.000 1.000 764 Y CA -1.204 56.619 58.100 -0.462 0.000 1.051 764 Y CB 1.636 39.590 38.460 -0.845 0.000 1.259 764 Y HN 0.850 nan 8.280 nan 0.000 0.468 765 L N -0.141 121.003 121.223 -0.132 0.000 2.341 765 L HA 0.780 5.121 4.340 0.001 0.000 0.254 765 L C -1.361 175.388 176.870 -0.201 0.000 1.040 765 L CA -0.922 53.825 54.840 -0.154 0.000 0.837 765 L CB 2.540 44.492 42.059 -0.180 0.000 1.425 765 L HN 0.580 nan 8.230 nan 0.000 0.414 766 N N 0.289 118.855 118.700 -0.223 0.000 2.558 766 N HA 0.335 5.075 4.740 0.001 0.000 0.285 766 N C -0.049 175.295 175.510 -0.277 0.000 1.112 766 N CA -0.412 52.510 53.050 -0.213 0.000 0.857 766 N CB 2.228 40.638 38.487 -0.127 0.000 1.376 766 N HN 0.805 nan 8.380 nan 0.000 0.526 767 R N 0.424 120.714 120.500 -0.349 0.000 2.081 767 R HA -0.065 4.276 4.340 0.001 0.000 0.235 767 R C 1.418 177.594 176.300 -0.207 0.000 1.131 767 R CA 2.093 57.962 56.100 -0.385 0.000 0.960 767 R CB 0.122 30.240 30.300 -0.304 0.000 0.856 767 R HN 0.482 nan 8.270 nan 0.000 0.436 768 T N 0.095 114.573 114.554 -0.128 0.000 2.770 768 T HA -0.135 4.216 4.350 0.001 0.000 0.263 768 T C 1.605 176.273 174.700 -0.052 0.000 1.039 768 T CA 1.141 63.205 62.100 -0.060 0.000 1.142 768 T CB -0.132 68.725 68.868 -0.019 0.000 0.868 768 T HN 0.340 nan 8.240 nan 0.000 0.435 769 E N 1.050 121.217 120.200 -0.054 0.000 2.038 769 E HA -0.167 4.184 4.350 0.001 0.000 0.195 769 E C 2.433 178.999 176.600 -0.057 0.000 1.000 769 E CA 1.140 57.518 56.400 -0.037 0.000 0.803 769 E CB -0.266 29.419 29.700 -0.026 0.000 0.750 769 E HN 0.446 nan 8.360 nan 0.000 0.448 770 A N 1.136 123.907 122.820 -0.080 0.000 1.892 770 A HA -0.236 4.084 4.320 0.001 0.000 0.218 770 A C 2.422 179.926 177.584 -0.133 0.000 1.188 770 A CA 2.256 54.246 52.037 -0.079 0.000 0.631 770 A CB -1.048 17.926 19.000 -0.043 0.000 0.822 770 A HN 0.438 nan 8.150 nan 0.000 0.447 771 A N 0.153 122.851 122.820 -0.203 0.000 1.908 771 A HA -0.233 4.088 4.320 0.001 0.000 0.218 771 A C 1.930 179.540 177.584 0.042 0.000 1.181 771 A CA 1.847 53.864 52.037 -0.035 0.000 0.627 771 A CB -0.665 18.338 19.000 0.006 0.000 0.818 771 A HN 0.608 nan 8.150 nan 0.000 0.445 772 N N 0.070 118.745 118.700 -0.042 0.000 2.188 772 N HA -0.099 4.641 4.740 0.001 0.000 0.184 772 N C 1.744 177.171 175.510 -0.139 0.000 1.018 772 N CA 1.498 54.463 53.050 -0.142 0.000 0.858 772 N CB -0.489 37.852 38.487 -0.242 0.000 0.989 772 N HN 0.291 nan 8.380 nan 0.000 0.426 773 V N 2.231 122.106 119.914 -0.065 0.000 2.295 773 V HA -0.259 3.862 4.120 0.001 0.000 0.246 773 V C 2.512 178.619 176.094 0.022 0.000 1.049 773 V CA 2.198 64.484 62.300 -0.025 0.000 1.024 773 V CB -0.699 31.131 31.823 0.013 0.000 0.648 773 V HN 0.441 nan 8.190 nan 0.000 0.447 774 E N 0.268 120.514 120.200 0.077 0.000 2.110 774 E HA -0.239 4.111 4.350 0.001 0.000 0.193 774 E C 2.051 178.674 176.600 0.038 0.000 0.988 774 E CA 1.393 57.834 56.400 0.068 0.000 0.804 774 E CB -0.349 29.426 29.700 0.126 0.000 0.745 774 E HN 0.320 nan 8.360 nan 0.000 0.458 775 K N 0.321 120.742 120.400 0.035 0.000 2.097 775 K HA -0.011 4.309 4.320 0.001 0.000 0.205 775 K C 1.997 178.621 176.600 0.041 0.000 1.050 775 K CA 0.916 57.220 56.287 0.029 0.000 0.938 775 K CB -0.202 32.307 32.500 0.014 0.000 0.718 775 K HN 0.294 nan 8.250 nan 0.000 0.442 776 I N 1.046 121.630 120.570 0.022 0.000 2.315 776 I HA -0.171 3.999 4.170 0.001 0.000 0.248 776 I C 2.055 178.204 176.117 0.052 0.000 1.117 776 I CA 1.224 62.559 61.300 0.059 0.000 1.404 776 I CB -1.782 36.236 38.000 0.030 0.000 1.071 776 I HN 0.067 nan 8.210 nan 0.000 0.419 777 T N 1.044 115.633 114.554 0.059 0.000 2.652 777 T HA -0.165 4.185 4.350 0.001 0.000 0.267 777 T C 1.984 176.751 174.700 0.112 0.000 1.039 777 T CA 2.372 64.527 62.100 0.090 0.000 1.153 777 T CB -0.411 68.546 68.868 0.147 0.000 0.863 777 T HN 0.346 nan 8.240 nan 0.000 0.428 778 T N 1.677 116.322 114.554 0.152 0.000 2.652 778 T HA -0.102 4.249 4.350 0.001 0.000 0.267 778 T C 1.989 176.733 174.700 0.074 0.000 1.039 778 T CA 1.294 63.490 62.100 0.159 0.000 1.153 778 T CB -0.243 68.714 68.868 0.148 0.000 0.863 778 T HN 0.343 nan 8.240 nan 0.000 0.428 779 K N 0.491 120.933 120.400 0.070 0.000 2.020 779 K HA -0.117 4.203 4.320 0.001 0.000 0.212 779 K C 2.289 178.920 176.600 0.052 0.000 1.050 779 K CA 1.354 57.685 56.287 0.075 0.000 0.929 779 K CB -0.393 32.196 32.500 0.148 0.000 0.714 779 K HN 0.269 nan 8.250 nan 0.000 0.443 780 L N 0.787 122.000 121.223 -0.017 0.000 1.989 780 L HA -0.248 4.093 4.340 0.001 0.000 0.211 780 L C 2.432 179.250 176.870 -0.086 0.000 1.071 780 L CA 1.240 55.958 54.840 -0.204 0.000 0.749 780 L CB -0.464 41.390 42.059 -0.341 0.000 0.890 780 L HN 0.232 nan 8.230 nan 0.000 0.431 781 L N -0.388 120.813 121.223 -0.037 0.000 2.021 781 L HA -0.302 4.038 4.340 0.001 0.000 0.215 781 L C 2.640 179.506 176.870 -0.008 0.000 1.074 781 L CA 1.602 56.434 54.840 -0.013 0.000 0.760 781 L CB -0.606 41.428 42.059 -0.042 0.000 0.889 781 L HN 0.225 nan 8.230 nan 0.000 0.433 782 K N -0.207 120.180 120.400 -0.021 0.000 2.152 782 K HA -0.152 4.169 4.320 0.001 0.000 0.206 782 K C 2.156 178.725 176.600 -0.052 0.000 1.048 782 K CA 1.301 57.570 56.287 -0.029 0.000 0.933 782 K CB -0.261 32.221 32.500 -0.029 0.000 0.721 782 K HN 0.338 nan 8.250 nan 0.000 0.447 783 A N 0.263 123.020 122.820 -0.105 0.000 2.015 783 A HA 0.030 4.351 4.320 0.001 0.000 0.219 783 A C 1.498 179.061 177.584 -0.034 0.000 1.163 783 A CA 1.527 53.428 52.037 -0.227 0.000 0.646 783 A CB -0.084 18.492 19.000 -0.707 0.000 0.806 783 A HN 0.447 nan 8.150 nan 0.000 0.448 784 G N -2.968 105.898 108.800 0.111 0.000 2.407 784 G HA2 0.340 4.301 3.960 0.001 0.000 0.210 784 G HA3 0.340 4.301 3.960 0.001 0.000 0.210 784 G C 0.104 175.131 174.900 0.211 0.000 1.015 784 G CA 0.010 45.217 45.100 0.178 0.000 0.807 784 G HN 1.216 nan 8.290 nan 0.000 0.539 785 A N 1.025 123.972 122.820 0.212 0.000 2.363 785 A HA 0.667 4.988 4.320 0.001 0.000 0.270 785 A C 0.420 178.059 177.584 0.092 0.000 1.121 785 A CA -0.205 51.924 52.037 0.152 0.000 0.800 785 A CB 0.576 19.599 19.000 0.037 0.000 1.052 785 A HN 0.123 nan 8.150 nan 0.000 0.493 786 K N 3.241 123.701 120.400 0.100 0.000 2.276 786 K HA 0.238 4.558 4.320 0.001 0.000 0.283 786 K C -2.106 174.538 176.600 0.074 0.000 1.044 786 K CA -1.997 54.330 56.287 0.067 0.000 0.944 786 K CB 0.854 33.388 32.500 0.058 0.000 1.012 786 K HN 0.303 nan 8.250 nan 0.000 0.472 787 P HA -0.210 nan 4.420 nan 0.000 0.216 787 P C 0.810 178.152 177.300 0.070 0.000 1.150 787 P CA 1.328 64.453 63.100 0.041 0.000 0.843 787 P CB 0.165 31.865 31.700 -0.001 0.000 0.787 788 D N -1.138 119.299 120.400 0.062 0.000 2.350 788 D HA -0.168 4.472 4.640 0.001 0.000 0.216 788 D C 1.169 177.520 176.300 0.085 0.000 0.968 788 D CA 0.946 54.985 54.000 0.066 0.000 0.894 788 D CB -0.373 40.456 40.800 0.048 0.000 0.909 788 D HN 0.169 nan 8.370 nan 0.000 0.520 789 Q N -0.009 119.855 119.800 0.107 0.000 2.198 789 Q HA 0.353 4.693 4.340 0.001 0.000 0.209 789 Q C 0.094 176.213 176.000 0.199 0.000 0.848 789 Q CA -0.154 55.726 55.803 0.127 0.000 0.974 789 Q CB 1.389 30.192 28.738 0.107 0.000 1.115 789 Q HN 0.433 nan 8.270 nan 0.000 0.494 790 I N 0.167 120.857 120.570 0.201 0.000 2.433 790 I HA 0.499 4.669 4.170 0.001 0.000 0.292 790 I C 0.287 176.533 176.117 0.216 0.000 1.001 790 I CA -0.889 60.546 61.300 0.225 0.000 1.119 790 I CB 2.173 40.285 38.000 0.186 0.000 1.289 790 I HN -0.095 nan 8.210 nan 0.000 0.438 791 G N 6.105 115.031 108.800 0.209 0.000 2.473 791 G HA2 0.850 4.810 3.960 0.001 0.000 0.321 791 G HA3 0.850 4.810 3.960 0.001 0.000 0.321 791 G C -1.138 173.799 174.900 0.063 0.000 1.200 791 G CA -0.482 44.752 45.100 0.223 0.000 0.963 791 G HN 0.460 nan 8.290 nan 0.000 0.483 792 I N 1.277 121.887 120.570 0.065 0.000 2.534 792 I HA 0.333 4.503 4.170 0.001 0.000 0.288 792 I C -0.756 175.348 176.117 -0.020 0.000 1.077 792 I CA -0.682 60.625 61.300 0.013 0.000 1.051 792 I CB 2.197 40.245 38.000 0.078 0.000 1.234 792 I HN 0.171 nan 8.210 nan 0.000 0.425 793 I N 3.950 124.470 120.570 -0.083 0.000 2.441 793 I HA 0.593 4.764 4.170 0.001 0.000 0.295 793 I C -0.087 176.156 176.117 0.211 0.000 0.994 793 I CA -0.456 60.842 61.300 -0.004 0.000 1.144 793 I CB 1.644 39.540 38.000 -0.174 0.000 1.314 793 I HN 0.492 nan 8.210 nan 0.000 0.445 794 T N 5.510 120.248 114.554 0.307 0.000 2.982 794 T HA 0.475 4.825 4.350 0.001 0.000 0.321 794 T C -2.382 172.410 174.700 0.153 0.000 1.229 794 T CA -1.189 61.100 62.100 0.315 0.000 1.044 794 T CB 2.282 71.284 68.868 0.223 0.000 1.184 794 T HN 0.310 nan 8.240 nan 0.000 0.477 795 P HA 0.137 nan 4.420 nan 0.000 0.229 795 P C -0.613 176.424 177.300 -0.438 0.000 1.160 795 P CA 0.717 63.529 63.100 -0.479 0.000 0.777 795 P CB -0.036 31.098 31.700 -0.943 0.000 0.814 796 Y N -0.797 119.513 120.300 0.015 0.000 2.360 796 Y HA 0.225 4.775 4.550 0.000 0.000 0.337 796 Y C 1.806 177.745 175.900 0.064 0.000 1.039 796 Y CA -0.737 57.391 58.100 0.047 0.000 1.109 796 Y CB 1.333 39.831 38.460 0.062 0.000 1.201 796 Y HN -0.249 nan 8.280 nan 0.000 0.458 797 E N 2.200 122.526 120.200 0.210 0.000 2.110 797 E HA -0.112 4.238 4.350 0.001 0.000 0.193 797 E C 2.155 178.846 176.600 0.151 0.000 0.988 797 E CA 1.767 58.259 56.400 0.153 0.000 0.804 797 E CB -0.320 29.451 29.700 0.119 0.000 0.745 797 E HN 0.954 nan 8.360 nan 0.000 0.458 798 G N 0.397 109.290 108.800 0.156 0.000 2.586 798 G HA2 -0.421 3.540 3.960 0.001 0.000 0.218 798 G HA3 -0.421 3.540 3.960 0.001 0.000 0.218 798 G C 1.628 176.608 174.900 0.134 0.000 1.216 798 G CA 1.166 46.327 45.100 0.102 0.000 0.786 798 G HN 0.416 nan 8.290 nan 0.000 0.583 799 Q N 0.076 119.972 119.800 0.159 0.000 2.226 799 Q HA -0.010 4.330 4.340 0.001 0.000 0.204 799 Q C 2.461 178.571 176.000 0.183 0.000 0.975 799 Q CA 1.461 57.360 55.803 0.160 0.000 0.866 799 Q CB -0.274 28.565 28.738 0.169 0.000 0.915 799 Q HN 0.544 nan 8.270 nan 0.000 0.440 800 R N -0.854 119.749 120.500 0.171 0.000 2.062 800 R HA -0.086 4.254 4.340 0.001 0.000 0.231 800 R C 2.259 178.637 176.300 0.130 0.000 1.136 800 R CA 1.598 57.786 56.100 0.147 0.000 0.948 800 R CB -0.384 29.998 30.300 0.137 0.000 0.845 800 R HN 0.270 nan 8.270 nan 0.000 0.430 801 S N -0.020 115.759 115.700 0.132 0.000 2.359 801 S HA -0.225 4.246 4.470 0.001 0.000 0.223 801 S C 1.627 176.309 174.600 0.137 0.000 1.039 801 S CA 1.691 59.962 58.200 0.118 0.000 1.042 801 S CB -0.548 62.724 63.200 0.119 0.000 0.915 801 S HN 0.444 nan 8.310 nan 0.000 0.439 802 Y N 1.431 121.765 120.300 0.056 0.000 2.224 802 Y HA -0.108 4.442 4.550 0.001 0.000 0.289 802 Y C 2.085 178.036 175.900 0.086 0.000 1.146 802 Y CA 1.049 59.184 58.100 0.058 0.000 1.182 802 Y CB -0.278 38.187 38.460 0.009 0.000 0.983 802 Y HN 0.130 nan 8.280 nan 0.000 0.524 803 L N -0.807 120.522 121.223 0.177 0.000 2.042 803 L HA -0.205 4.136 4.340 0.001 0.000 0.210 803 L C 2.438 179.335 176.870 0.046 0.000 1.076 803 L CA 1.371 56.285 54.840 0.122 0.000 0.749 803 L CB -1.422 40.712 42.059 0.125 0.000 0.893 803 L HN 0.181 nan 8.230 nan 0.000 0.432 804 V N -0.368 119.559 119.914 0.021 0.000 2.237 804 V HA -0.338 3.782 4.120 0.001 0.000 0.245 804 V C 2.547 178.591 176.094 -0.084 0.000 1.046 804 V CA 1.740 64.019 62.300 -0.036 0.000 1.007 804 V CB -0.548 31.260 31.823 -0.026 0.000 0.638 804 V HN 0.492 nan 8.190 nan 0.000 0.445 805 Q N -1.096 118.674 119.800 -0.049 0.000 2.002 805 Q HA -0.272 4.068 4.340 0.001 0.000 0.204 805 Q C 2.214 178.203 176.000 -0.019 0.000 0.988 805 Q CA 2.482 58.283 55.803 -0.003 0.000 0.843 805 Q CB -0.500 28.280 28.738 0.070 0.000 0.908 805 Q HN 0.750 nan 8.270 nan 0.000 0.420 806 Y N 0.893 121.069 120.300 -0.207 0.000 2.207 806 Y HA -0.256 4.295 4.550 0.000 0.000 0.287 806 Y C 2.134 177.916 175.900 -0.197 0.000 1.156 806 Y CA 1.339 59.334 58.100 -0.175 0.000 1.182 806 Y CB -0.033 38.164 38.460 -0.439 0.000 0.979 806 Y HN 0.089 nan 8.280 nan 0.000 0.521 807 M N 0.046 119.530 119.600 -0.193 0.000 2.144 807 M HA -0.313 4.167 4.480 0.001 0.000 0.260 807 M C 1.915 177.817 176.300 -0.662 0.000 1.067 807 M CA 1.968 57.057 55.300 -0.352 0.000 1.095 807 M CB -1.055 31.441 32.600 -0.174 0.000 1.365 807 M HN 0.471 nan 8.290 nan 0.000 0.406 808 Q N -1.474 117.965 119.800 -0.603 0.000 2.269 808 Q HA 0.009 4.350 4.340 0.001 0.000 0.201 808 Q C 1.775 177.447 176.000 -0.546 0.000 0.946 808 Q CA 0.940 56.411 55.803 -0.554 0.000 0.877 808 Q CB -0.018 28.366 28.738 -0.589 0.000 0.963 808 Q HN 0.445 nan 8.270 nan 0.000 0.472 809 F N -0.036 119.711 119.950 -0.339 0.000 2.059 809 F HA -0.058 4.469 4.527 0.000 0.000 0.289 809 F C 2.263 177.843 175.800 -0.365 0.000 1.128 809 F CA 0.585 58.403 58.000 -0.302 0.000 1.181 809 F CB -0.297 38.532 39.000 -0.285 0.000 1.012 809 F HN -0.172 nan 8.300 nan 0.000 0.473 810 S N -0.241 115.230 115.700 -0.383 0.000 2.603 810 S HA 0.049 4.519 4.470 0.001 0.000 0.229 810 S C 1.020 175.396 174.600 -0.373 0.000 0.972 810 S CA 0.360 58.318 58.200 -0.403 0.000 0.935 810 S CB -0.941 61.894 63.200 -0.609 0.000 0.769 810 S HN 0.336 nan 8.310 nan 0.000 0.536 811 G N 0.812 109.306 108.800 -0.511 0.000 2.360 811 G HA2 0.301 4.262 3.960 0.001 0.000 0.279 811 G HA3 0.301 4.262 3.960 0.001 0.000 0.279 811 G C 0.649 175.493 174.900 -0.094 0.000 1.189 811 G CA -0.480 44.263 45.100 -0.595 0.000 0.941 811 G HN 0.262 nan 8.290 nan 0.000 0.445 812 S N 2.124 117.852 115.700 0.047 0.000 2.368 812 S HA -0.062 4.409 4.470 0.001 0.000 0.225 812 S C 1.418 176.060 174.600 0.071 0.000 1.030 812 S CA 0.520 58.752 58.200 0.052 0.000 0.999 812 S CB -0.213 63.007 63.200 0.034 0.000 0.844 812 S HN 0.465 nan 8.310 nan 0.000 0.459 813 L N 0.470 121.813 121.223 0.199 0.000 2.482 813 L HA 0.236 4.576 4.340 0.001 0.000 0.242 813 L C 0.431 177.274 176.870 -0.044 0.000 1.210 813 L CA -0.599 54.208 54.840 -0.056 0.000 0.819 813 L CB -0.009 41.914 42.059 -0.228 0.000 1.203 813 L HN 0.225 nan 8.230 nan 0.000 0.495 814 H N -0.849 118.178 119.070 -0.071 0.000 3.001 814 H HA -0.092 4.464 4.556 0.001 0.000 0.334 814 H C 0.994 176.304 175.328 -0.029 0.000 1.034 814 H CA 0.810 56.830 56.048 -0.047 0.000 1.420 814 H CB 0.662 30.381 29.762 -0.071 0.000 1.405 814 H HN 0.556 nan 8.280 nan 0.000 0.593 815 T N 1.890 116.529 114.554 0.142 0.000 2.788 815 T HA -0.177 4.173 4.350 0.001 0.000 0.268 815 T C 1.907 176.642 174.700 0.058 0.000 1.044 815 T CA 1.506 63.662 62.100 0.094 0.000 1.139 815 T CB -0.018 68.856 68.868 0.011 0.000 0.867 815 T HN 0.387 nan 8.240 nan 0.000 0.454 816 K N 0.144 120.566 120.400 0.038 0.000 2.288 816 K HA 0.202 4.522 4.320 0.001 0.000 0.201 816 K C 1.852 178.447 176.600 -0.008 0.000 1.048 816 K CA 0.350 56.648 56.287 0.018 0.000 0.956 816 K CB -0.403 32.106 32.500 0.015 0.000 0.746 816 K HN 0.220 nan 8.250 nan 0.000 0.461 817 L N -0.404 120.784 121.223 -0.059 0.000 2.056 817 L HA -0.116 4.224 4.340 0.001 0.000 0.207 817 L C 1.512 178.266 176.870 -0.194 0.000 1.078 817 L CA 1.720 56.468 54.840 -0.154 0.000 0.749 817 L CB -0.405 41.509 42.059 -0.242 0.000 0.901 817 L HN 0.248 nan 8.230 nan 0.000 0.433 818 Y N -1.220 119.061 120.300 -0.030 0.000 2.200 818 Y HA -0.203 4.348 4.550 0.000 0.000 0.290 818 Y C 2.566 178.418 175.900 -0.081 0.000 1.137 818 Y CA 1.203 59.270 58.100 -0.055 0.000 1.163 818 Y CB -0.364 38.041 38.460 -0.091 0.000 0.988 818 Y HN 0.234 nan 8.280 nan 0.000 0.518 819 Q N 0.716 120.539 119.800 0.039 0.000 2.561 819 Q HA -0.207 4.134 4.340 0.001 0.000 0.217 819 Q C 1.331 177.265 176.000 -0.110 0.000 0.980 819 Q CA 0.822 56.569 55.803 -0.094 0.000 0.927 819 Q CB 0.007 28.690 28.738 -0.091 0.000 0.980 819 Q HN 0.568 nan 8.270 nan 0.000 0.525 820 E N -0.787 119.403 120.200 -0.017 0.000 2.481 820 E HA 0.073 4.424 4.350 0.001 0.000 0.198 820 E C -0.694 175.926 176.600 0.033 0.000 1.027 820 E CA -0.172 56.243 56.400 0.025 0.000 0.900 820 E CB 0.857 30.574 29.700 0.029 0.000 0.993 820 E HN 0.024 nan 8.360 nan 0.000 0.482 821 V N 1.658 121.591 119.914 0.032 0.000 2.439 821 V HA 0.170 4.290 4.120 0.001 0.000 0.282 821 V C -0.005 176.129 176.094 0.067 0.000 1.039 821 V CA -0.433 61.910 62.300 0.073 0.000 0.913 821 V CB 1.507 33.393 31.823 0.105 0.000 0.983 821 V HN 0.107 nan 8.190 nan 0.000 0.460 822 E N 4.329 124.601 120.200 0.120 0.000 2.229 822 E HA 0.377 4.728 4.350 0.001 0.000 0.283 822 E C -1.191 175.546 176.600 0.227 0.000 1.030 822 E CA -0.599 55.883 56.400 0.136 0.000 0.836 822 E CB 0.826 30.587 29.700 0.102 0.000 1.068 822 E HN 0.450 nan 8.360 nan 0.000 0.401 823 I N 3.460 124.133 120.570 0.171 0.000 2.382 823 I HA 0.576 4.747 4.170 0.001 0.000 0.286 823 I C -0.091 176.162 176.117 0.227 0.000 1.002 823 I CA -0.563 60.855 61.300 0.195 0.000 1.135 823 I CB 0.355 38.429 38.000 0.123 0.000 1.288 823 I HN 0.507 nan 8.210 nan 0.000 0.448 824 A N 4.375 127.397 122.820 0.336 0.000 2.602 824 A HA 0.778 5.098 4.320 0.001 0.000 0.290 824 A C 0.019 177.790 177.584 0.311 0.000 1.114 824 A CA -0.395 51.834 52.037 0.321 0.000 0.683 824 A CB 1.409 20.613 19.000 0.340 0.000 1.281 824 A HN 0.698 nan 8.150 nan 0.000 0.416 825 S N -0.449 115.400 115.700 0.248 0.000 2.634 825 S HA 0.289 4.760 4.470 0.001 0.000 0.254 825 S C 1.345 176.119 174.600 0.291 0.000 1.299 825 S CA 0.224 58.559 58.200 0.224 0.000 0.974 825 S CB -0.100 63.192 63.200 0.153 0.000 1.001 825 S HN 1.659 nan 8.310 nan 0.000 0.584 826 V N -0.291 119.770 119.914 0.244 0.000 2.379 826 V HA -0.098 4.023 4.120 0.001 0.000 0.245 826 V C 1.922 178.149 176.094 0.222 0.000 1.044 826 V CA 1.885 64.323 62.300 0.232 0.000 1.036 826 V CB -1.792 30.150 31.823 0.199 0.000 0.664 826 V HN 0.835 nan 8.190 nan 0.000 0.453 827 D N 2.359 122.857 120.400 0.164 0.000 2.158 827 D HA -0.157 4.483 4.640 0.001 0.000 0.197 827 D C 2.042 178.407 176.300 0.108 0.000 0.995 827 D CA 1.725 55.794 54.000 0.115 0.000 0.846 827 D CB -0.378 40.475 40.800 0.087 0.000 0.941 827 D HN 0.546 nan 8.370 nan 0.000 0.456 828 A N -0.599 122.303 122.820 0.137 0.000 2.168 828 A HA 0.008 4.328 4.320 0.001 0.000 0.215 828 A C 1.312 178.844 177.584 -0.087 0.000 1.152 828 A CA 0.568 52.623 52.037 0.031 0.000 0.716 828 A CB -0.479 18.533 19.000 0.020 0.000 0.794 828 A HN 0.222 nan 8.150 nan 0.000 0.465 829 F N -0.457 119.512 119.950 0.031 0.000 2.695 829 F HA 0.182 4.709 4.527 0.001 0.000 0.303 829 F C 1.118 176.920 175.800 0.002 0.000 1.091 829 F CA -0.224 57.787 58.000 0.018 0.000 1.300 829 F CB 0.316 39.328 39.000 0.020 0.000 1.071 829 F HN 0.233 nan 8.300 nan 0.000 0.578 830 Q N 0.953 120.829 119.800 0.127 0.000 2.264 830 Q HA 0.159 4.499 4.340 0.001 0.000 0.296 830 Q C 1.267 177.283 176.000 0.028 0.000 1.103 830 Q CA 1.087 56.928 55.803 0.064 0.000 0.967 830 Q CB 0.183 28.941 28.738 0.033 0.000 1.090 830 Q HN 0.641 nan 8.270 nan 0.000 0.379 831 G N 4.058 112.872 108.800 0.023 0.000 2.184 831 G HA2 -0.311 3.649 3.960 0.001 0.000 0.264 831 G HA3 -0.311 3.649 3.960 0.001 0.000 0.264 831 G C -0.010 174.895 174.900 0.008 0.000 0.975 831 G CA 0.413 45.513 45.100 0.001 0.000 0.642 831 G HN 0.629 nan 8.290 nan 0.000 0.536 832 R N 0.788 121.309 120.500 0.035 0.000 2.536 832 R HA 0.592 4.933 4.340 0.001 0.000 0.279 832 R C 0.227 176.576 176.300 0.083 0.000 1.001 832 R CA -0.314 55.806 56.100 0.033 0.000 1.027 832 R CB 0.886 31.175 30.300 -0.019 0.000 1.096 832 R HN 0.634 nan 8.270 nan 0.000 0.502 833 E N 1.490 121.724 120.200 0.056 0.000 2.277 833 E HA 0.532 4.882 4.350 0.001 0.000 0.266 833 E C -1.047 175.598 176.600 0.074 0.000 0.901 833 E CA -1.068 55.366 56.400 0.055 0.000 0.782 833 E CB 2.520 32.222 29.700 0.003 0.000 1.228 833 E HN 0.256 nan 8.360 nan 0.000 0.424 834 K N 0.196 120.638 120.400 0.071 0.000 2.399 834 K HA 0.229 4.549 4.320 0.001 0.000 0.260 834 K C -0.415 176.161 176.600 -0.040 0.000 1.049 834 K CA -0.670 55.654 56.287 0.063 0.000 0.890 834 K CB 1.565 34.161 32.500 0.159 0.000 1.430 834 K HN 0.396 nan 8.250 nan 0.000 0.459 835 D N -0.120 120.223 120.400 -0.095 0.000 2.271 835 D HA 0.103 4.743 4.640 0.001 0.000 0.206 835 D C -0.380 175.381 176.300 -0.898 0.000 0.967 835 D CA 1.151 54.910 54.000 -0.402 0.000 0.867 835 D CB 0.250 40.780 40.800 -0.450 0.000 0.960 835 D HN 0.171 nan 8.370 nan 0.000 0.509 836 F N 0.042 120.025 119.950 0.056 0.000 2.591 836 F HA 0.407 4.935 4.527 0.001 0.000 0.309 836 F C -0.328 175.477 175.800 0.008 0.000 1.098 836 F CA -1.080 56.939 58.000 0.032 0.000 0.937 836 F CB 2.191 41.202 39.000 0.018 0.000 1.250 836 F HN -0.366 nan 8.300 nan 0.000 0.447 837 I N 4.443 125.096 120.570 0.139 0.000 2.498 837 I HA 0.438 4.608 4.170 0.001 0.000 0.290 837 I C -0.703 175.404 176.117 -0.017 0.000 1.032 837 I CA -0.757 60.543 61.300 -0.000 0.000 1.073 837 I CB 1.974 39.911 38.000 -0.106 0.000 1.251 837 I HN 0.445 nan 8.210 nan 0.000 0.426 838 I N 6.329 126.871 120.570 -0.047 0.000 2.378 838 I HA 0.358 4.528 4.170 0.001 0.000 0.291 838 I C -0.423 175.637 176.117 -0.095 0.000 0.992 838 I CA -0.884 60.379 61.300 -0.061 0.000 1.154 838 I CB 1.893 39.880 38.000 -0.021 0.000 1.315 838 I HN 0.222 nan 8.210 nan 0.000 0.448 839 L N 4.512 125.665 121.223 -0.117 0.000 2.325 839 L HA 0.341 4.681 4.340 0.001 0.000 0.279 839 L C 0.482 177.354 176.870 0.003 0.000 1.054 839 L CA 0.185 54.968 54.840 -0.095 0.000 0.804 839 L CB 1.587 43.542 42.059 -0.174 0.000 1.200 839 L HN 0.592 nan 8.230 nan 0.000 0.436 840 S N 1.643 117.426 115.700 0.138 0.000 2.622 840 S HA 0.243 4.713 4.470 0.001 0.000 0.283 840 S C 0.718 175.473 174.600 0.258 0.000 1.197 840 S CA -0.697 57.590 58.200 0.145 0.000 1.146 840 S CB 0.206 63.481 63.200 0.126 0.000 1.007 840 S HN 0.774 nan 8.310 nan 0.000 0.478 841 C N 2.611 122.023 119.300 0.187 0.000 2.485 841 C HA 0.049 4.509 4.460 0.001 0.000 0.278 841 C C 1.790 176.827 174.990 0.079 0.000 1.356 841 C CA 0.526 59.638 59.018 0.157 0.000 1.747 841 C CB -1.449 26.290 27.740 -0.002 0.000 2.001 841 C HN 1.374 nan 8.230 nan 0.000 0.501 842 V N -1.753 118.196 119.914 0.058 0.000 3.525 842 V HA -0.233 3.887 4.120 0.001 0.000 0.200 842 V C -0.141 175.929 176.094 -0.040 0.000 0.451 842 V CA 1.329 63.644 62.300 0.024 0.000 1.037 842 V CB -2.574 29.294 31.823 0.075 0.000 1.164 842 V HN 0.698 nan 8.190 nan 0.000 1.195 843 R N 0.594 121.067 120.500 -0.045 0.000 2.338 843 R HA 0.838 5.178 4.340 0.001 0.000 0.317 843 R C 0.251 176.502 176.300 -0.082 0.000 0.968 843 R CA 0.192 56.240 56.100 -0.087 0.000 0.849 843 R CB 1.886 32.138 30.300 -0.080 0.000 1.128 843 R HN 0.993 nan 8.270 nan 0.000 0.448 844 A N 3.356 126.115 122.820 -0.102 0.000 3.308 844 A HA 0.196 4.517 4.320 0.001 0.000 0.275 844 A C 0.429 177.963 177.584 -0.084 0.000 0.950 844 A CA -0.623 51.368 52.037 -0.075 0.000 0.987 844 A CB -0.256 18.704 19.000 -0.067 0.000 1.146 844 A HN 0.931 nan 8.150 nan 0.000 0.488 845 N N -0.589 118.064 118.700 -0.079 0.000 2.121 845 N HA -0.004 4.736 4.740 0.001 0.000 0.254 845 N C 0.712 176.210 175.510 -0.019 0.000 1.140 845 N CA 0.610 53.619 53.050 -0.069 0.000 0.785 845 N CB 0.251 38.656 38.487 -0.136 0.000 1.564 845 N HN 0.343 nan 8.380 nan 0.000 0.536 846 E N 0.480 120.670 120.200 -0.018 0.000 3.912 846 E HA -0.320 4.030 4.350 0.001 0.000 0.335 846 E C -0.323 176.286 176.600 0.016 0.000 0.654 846 E CA 0.906 57.303 56.400 -0.004 0.000 1.177 846 E CB -1.884 27.811 29.700 -0.008 0.000 1.650 846 E HN 0.695 nan 8.360 nan 0.000 0.430 847 H N 1.581 120.609 119.070 -0.070 0.000 2.972 847 H HA 0.062 4.618 4.556 0.001 0.000 0.343 847 H C 0.375 175.679 175.328 -0.040 0.000 1.054 847 H CA 1.145 57.155 56.048 -0.062 0.000 1.412 847 H CB 0.599 30.294 29.762 -0.110 0.000 1.385 847 H HN 0.233 nan 8.280 nan 0.000 0.600 848 Q N 3.294 123.006 119.800 -0.146 0.000 2.368 848 Q HA -0.016 4.324 4.340 0.001 0.000 0.331 848 Q C -0.072 176.021 176.000 0.155 0.000 1.086 848 Q CA 0.568 56.369 55.803 -0.003 0.000 1.031 848 Q CB 0.309 29.001 28.738 -0.077 0.000 1.125 848 Q HN 0.797 nan 8.270 nan 0.000 0.389 849 G N 2.872 111.728 108.800 0.094 0.000 2.511 849 G HA2 0.485 4.446 3.960 0.001 0.000 0.316 849 G HA3 0.485 4.446 3.960 0.001 0.000 0.316 849 G C 0.333 175.255 174.900 0.037 0.000 1.210 849 G CA -0.250 44.897 45.100 0.078 0.000 0.969 849 G HN 0.883 nan 8.290 nan 0.000 0.492 850 I N -2.872 117.657 120.570 -0.069 0.000 4.197 850 I HA 0.401 4.571 4.170 0.001 0.000 0.307 850 I C 1.553 177.581 176.117 -0.148 0.000 1.236 850 I CA 0.307 61.552 61.300 -0.092 0.000 1.321 850 I CB 0.082 38.028 38.000 -0.090 0.000 1.309 850 I HN 0.527 nan 8.210 nan 0.000 0.450 851 G N 2.221 110.829 108.800 -0.319 0.000 3.107 851 G HA2 0.034 3.995 3.960 0.001 0.000 0.155 851 G HA3 0.034 3.995 3.960 0.001 0.000 0.155 851 G C 0.766 175.593 174.900 -0.122 0.000 1.875 851 G CA 0.370 45.276 45.100 -0.324 0.000 1.004 851 G HN 0.463 nan 8.290 nan 0.000 0.480 852 F N 0.433 120.454 119.950 0.118 0.000 2.771 852 F HA 0.305 4.833 4.527 0.001 0.000 0.299 852 F C 1.937 177.993 175.800 0.427 0.000 1.177 852 F CA -0.042 58.086 58.000 0.212 0.000 1.450 852 F CB -0.653 38.475 39.000 0.213 0.000 1.114 852 F HN 0.006 nan 8.300 nan 0.000 0.587 853 L N 1.377 122.672 121.223 0.121 0.000 2.056 853 L HA -0.174 4.166 4.340 0.001 0.000 0.207 853 L C 1.724 178.803 176.870 0.350 0.000 1.078 853 L CA 1.671 56.656 54.840 0.242 0.000 0.749 853 L CB -0.523 41.487 42.059 -0.083 0.000 0.901 853 L HN 0.420 nan 8.230 nan 0.000 0.433 854 N N -2.299 116.524 118.700 0.205 0.000 2.365 854 N HA 0.032 4.772 4.740 0.001 0.000 0.257 854 N C -0.756 174.844 175.510 0.151 0.000 1.287 854 N CA -0.080 53.078 53.050 0.181 0.000 0.882 854 N CB 0.406 38.959 38.487 0.110 0.000 1.250 854 N HN 0.076 nan 8.380 nan 0.000 0.507 855 D N 0.815 121.320 120.400 0.176 0.000 2.476 855 D HA 0.342 4.982 4.640 0.001 0.000 0.251 855 D C -2.074 174.317 176.300 0.152 0.000 1.291 855 D CA -1.575 52.508 54.000 0.139 0.000 0.939 855 D CB 2.773 43.639 40.800 0.110 0.000 1.221 855 D HN -0.167 nan 8.370 nan 0.000 0.567 856 P HA -0.142 nan 4.420 nan 0.000 0.214 856 P C 1.242 178.639 177.300 0.162 0.000 1.163 856 P CA 1.271 64.504 63.100 0.220 0.000 0.889 856 P CB 0.499 32.359 31.700 0.267 0.000 0.790 857 R N -0.813 119.720 120.500 0.055 0.000 2.097 857 R HA -0.159 4.181 4.340 0.001 0.000 0.236 857 R C 2.464 178.721 176.300 -0.072 0.000 1.135 857 R CA 1.671 57.704 56.100 -0.111 0.000 0.934 857 R CB -0.901 29.370 30.300 -0.048 0.000 0.846 857 R HN -0.028 nan 8.270 nan 0.000 0.431 858 R N 0.280 120.801 120.500 0.035 0.000 2.103 858 R HA -0.147 4.194 4.340 0.001 0.000 0.242 858 R C 1.981 178.354 176.300 0.123 0.000 1.142 858 R CA 1.352 57.510 56.100 0.096 0.000 0.960 858 R CB -0.714 29.679 30.300 0.154 0.000 0.858 858 R HN 0.171 nan 8.270 nan 0.000 0.439 859 L N 0.813 122.116 121.223 0.133 0.000 2.056 859 L HA -0.094 4.246 4.340 0.001 0.000 0.207 859 L C 1.732 178.589 176.870 -0.022 0.000 1.078 859 L CA 1.915 56.804 54.840 0.082 0.000 0.749 859 L CB -1.029 41.044 42.059 0.024 0.000 0.901 859 L HN 0.367 nan 8.230 nan 0.000 0.433 860 N N -0.928 117.732 118.700 -0.067 0.000 2.104 860 N HA -0.193 4.547 4.740 0.001 0.000 0.190 860 N C 1.746 177.185 175.510 -0.119 0.000 1.024 860 N CA 1.786 54.735 53.050 -0.170 0.000 0.853 860 N CB 0.093 38.172 38.487 -0.680 0.000 1.008 860 N HN 0.286 nan 8.380 nan 0.000 0.424 861 V N 1.496 121.346 119.914 -0.107 0.000 2.295 861 V HA -0.220 3.900 4.120 0.001 0.000 0.246 861 V C 2.565 178.617 176.094 -0.070 0.000 1.049 861 V CA 1.941 64.203 62.300 -0.064 0.000 1.024 861 V CB -1.062 30.747 31.823 -0.024 0.000 0.648 861 V HN 0.439 nan 8.190 nan 0.000 0.447 862 A N -0.373 122.386 122.820 -0.102 0.000 1.940 862 A HA -0.171 4.149 4.320 0.001 0.000 0.219 862 A C 2.153 179.630 177.584 -0.178 0.000 1.176 862 A CA 1.887 53.798 52.037 -0.211 0.000 0.631 862 A CB -0.545 18.215 19.000 -0.399 0.000 0.814 862 A HN 0.530 nan 8.150 nan 0.000 0.446 863 L N -0.247 120.913 121.223 -0.104 0.000 2.554 863 L HA 0.011 4.352 4.340 0.001 0.000 0.226 863 L C 1.017 177.878 176.870 -0.014 0.000 1.137 863 L CA 1.135 55.953 54.840 -0.036 0.000 0.863 863 L CB 0.028 42.120 42.059 0.055 0.000 0.985 863 L HN 0.545 nan 8.230 nan 0.000 0.451 864 T N -4.489 110.044 114.554 -0.035 0.000 3.516 864 T HA 0.312 4.663 4.350 0.001 0.000 0.245 864 T C 0.893 175.570 174.700 -0.038 0.000 1.077 864 T CA -0.650 61.433 62.100 -0.029 0.000 1.222 864 T CB 0.280 69.134 68.868 -0.024 0.000 1.045 864 T HN -0.027 nan 8.240 nan 0.000 0.585 865 R N 0.443 120.916 120.500 -0.045 0.000 2.453 865 R HA 0.512 4.852 4.340 0.001 0.000 0.233 865 R C 0.787 177.073 176.300 -0.022 0.000 0.895 865 R CA 0.099 56.190 56.100 -0.014 0.000 1.028 865 R CB 0.465 30.760 30.300 -0.009 0.000 1.255 865 R HN 0.562 nan 8.270 nan 0.000 0.571 866 A N 0.898 123.684 122.820 -0.057 0.000 2.304 866 A HA 0.489 4.809 4.320 0.001 0.000 0.301 866 A C 0.799 178.297 177.584 -0.143 0.000 1.132 866 A CA -0.414 51.570 52.037 -0.088 0.000 0.819 866 A CB 1.165 20.118 19.000 -0.078 0.000 1.094 866 A HN 0.071 nan 8.150 nan 0.000 0.492 867 R N 0.307 120.674 120.500 -0.223 0.000 2.090 867 R HA 0.041 4.382 4.340 0.001 0.000 0.219 867 R C 0.621 176.619 176.300 -0.504 0.000 1.100 867 R CA 1.596 57.465 56.100 -0.385 0.000 0.991 867 R CB -0.073 29.932 30.300 -0.491 0.000 0.893 867 R HN 0.876 nan 8.270 nan 0.000 0.443 868 Y N -1.266 118.816 120.300 -0.363 0.000 2.581 868 Y HA 0.371 4.921 4.550 0.001 0.000 0.271 868 Y C 0.902 176.663 175.900 -0.231 0.000 1.100 868 Y CA 0.028 57.921 58.100 -0.345 0.000 1.281 868 Y CB 1.355 39.460 38.460 -0.592 0.000 1.237 868 Y HN 0.037 nan 8.280 nan 0.000 0.514 869 G N -0.149 108.630 108.800 -0.034 0.000 2.759 869 G HA2 0.481 4.441 3.960 0.001 0.000 0.297 869 G HA3 0.481 4.441 3.960 0.001 0.000 0.297 869 G C -2.303 172.697 174.900 0.166 0.000 1.434 869 G CA -0.508 44.684 45.100 0.153 0.000 0.980 869 G HN -0.155 nan 8.290 nan 0.000 0.531 870 V N 3.142 123.090 119.914 0.057 0.000 2.577 870 V HA 0.704 4.824 4.120 0.001 0.000 0.303 870 V C -1.299 174.778 176.094 -0.028 0.000 1.042 870 V CA -0.935 61.383 62.300 0.031 0.000 0.872 870 V CB 1.450 33.279 31.823 0.009 0.000 0.998 870 V HN 0.613 nan 8.190 nan 0.000 0.423 871 I N 7.834 128.344 120.570 -0.100 0.000 2.418 871 I HA 0.507 4.677 4.170 0.001 0.000 0.287 871 I C -0.138 175.842 176.117 -0.229 0.000 1.008 871 I CA -0.555 60.564 61.300 -0.302 0.000 1.104 871 I CB 1.542 39.346 38.000 -0.326 0.000 1.264 871 I HN 0.486 nan 8.210 nan 0.000 0.438 872 I N 6.303 126.709 120.570 -0.274 0.000 2.377 872 I HA 0.485 4.656 4.170 0.001 0.000 0.293 872 I C -0.266 175.508 176.117 -0.570 0.000 0.987 872 I CA -0.888 60.201 61.300 -0.353 0.000 1.185 872 I CB 1.890 39.700 38.000 -0.318 0.000 1.341 872 I HN 0.124 nan 8.210 nan 0.000 0.455 873 V N 5.064 124.735 119.914 -0.404 0.000 2.444 873 V HA 0.929 5.050 4.120 0.001 0.000 0.294 873 V C 0.311 176.251 176.094 -0.258 0.000 1.022 873 V CA -0.274 61.843 62.300 -0.305 0.000 0.850 873 V CB 1.159 32.907 31.823 -0.125 0.000 0.992 873 V HN 1.039 nan 8.190 nan 0.000 0.426 874 G N 3.057 111.724 108.800 -0.222 0.000 2.441 874 G HA2 0.323 4.284 3.960 0.001 0.000 0.294 874 G HA3 0.323 4.284 3.960 0.001 0.000 0.294 874 G C -1.728 173.320 174.900 0.246 0.000 1.393 874 G CA -0.774 44.341 45.100 0.025 0.000 0.796 874 G HN 0.477 nan 8.290 nan 0.000 0.494 875 N N 0.732 119.526 118.700 0.156 0.000 2.437 875 N HA 0.446 5.187 4.740 0.001 0.000 0.243 875 N C -1.470 174.098 175.510 0.096 0.000 1.041 875 N CA -2.309 50.816 53.050 0.125 0.000 0.940 875 N CB 1.998 40.506 38.487 0.035 0.000 1.133 875 N HN 0.002 nan 8.380 nan 0.000 0.506 876 P HA -0.123 nan 4.420 nan 0.000 0.220 876 P C 0.774 178.032 177.300 -0.070 0.000 1.148 876 P CA 1.202 64.230 63.100 -0.121 0.000 0.803 876 P CB 0.431 31.980 31.700 -0.250 0.000 0.782 877 K N -0.063 120.317 120.400 -0.032 0.000 2.044 877 K HA 0.080 4.401 4.320 0.001 0.000 0.204 877 K C 2.031 178.617 176.600 -0.023 0.000 1.049 877 K CA 1.489 57.762 56.287 -0.024 0.000 0.945 877 K CB -1.450 31.041 32.500 -0.015 0.000 0.724 877 K HN 0.056 nan 8.250 nan 0.000 0.440 878 A N 0.885 123.688 122.820 -0.028 0.000 2.239 878 A HA 0.062 4.382 4.320 0.001 0.000 0.209 878 A C 1.824 179.367 177.584 -0.068 0.000 1.171 878 A CA 0.751 52.763 52.037 -0.041 0.000 0.768 878 A CB -0.462 18.511 19.000 -0.045 0.000 0.790 878 A HN 0.209 nan 8.150 nan 0.000 0.478 879 L N -2.374 118.797 121.223 -0.086 0.000 2.781 879 L HA 0.143 4.483 4.340 0.001 0.000 0.245 879 L C 2.268 179.132 176.870 -0.010 0.000 1.118 879 L CA 0.651 55.400 54.840 -0.152 0.000 0.918 879 L CB 0.008 41.834 42.059 -0.389 0.000 1.246 879 L HN 0.293 nan 8.230 nan 0.000 0.526 880 S N 0.689 116.401 115.700 0.019 0.000 2.400 880 S HA -0.172 4.299 4.470 0.001 0.000 0.232 880 S C 1.217 175.877 174.600 0.100 0.000 1.025 880 S CA 1.260 59.503 58.200 0.072 0.000 0.993 880 S CB -0.077 63.142 63.200 0.032 0.000 0.808 880 S HN 0.200 nan 8.310 nan 0.000 0.478 881 K N 2.108 122.549 120.400 0.069 0.000 2.111 881 K HA 0.197 4.518 4.320 0.001 0.000 0.249 881 K C -0.632 176.028 176.600 0.100 0.000 1.157 881 K CA -0.037 56.293 56.287 0.070 0.000 1.048 881 K CB 0.083 32.606 32.500 0.038 0.000 1.498 881 K HN 0.135 nan 8.250 nan 0.000 0.344 882 Q N 3.108 122.993 119.800 0.143 0.000 3.067 882 Q HA 0.044 4.384 4.340 0.001 0.000 0.196 882 Q C -2.531 173.577 176.000 0.180 0.000 0.878 882 Q CA -0.970 54.940 55.803 0.178 0.000 1.278 882 Q CB 1.079 29.987 28.738 0.282 0.000 1.633 882 Q HN 0.229 nan 8.270 nan 0.000 0.621 883 P HA -0.222 nan 4.420 nan 0.000 0.219 883 P C 1.188 178.479 177.300 -0.016 0.000 1.151 883 P CA 1.180 64.305 63.100 0.040 0.000 0.850 883 P CB 0.348 32.032 31.700 -0.027 0.000 0.784 884 L N -3.115 118.121 121.223 0.023 0.000 2.253 884 L HA 0.152 4.493 4.340 0.001 0.000 0.205 884 L C 2.006 178.948 176.870 0.120 0.000 1.078 884 L CA 1.166 55.999 54.840 -0.012 0.000 0.805 884 L CB -1.286 40.725 42.059 -0.080 0.000 0.963 884 L HN -0.063 nan 8.230 nan 0.000 0.459 885 W N 0.678 122.073 121.300 0.158 0.000 2.465 885 W HA -0.201 4.459 4.660 0.000 0.000 0.268 885 W C 2.211 178.803 176.519 0.122 0.000 1.242 885 W CA 1.087 58.524 57.345 0.154 0.000 1.248 885 W CB -0.169 29.374 29.460 0.138 0.000 1.118 885 W HN 0.474 nan 8.180 nan 0.000 0.587 886 N N -1.206 117.711 118.700 0.362 0.000 2.251 886 N HA -0.151 4.589 4.740 0.001 0.000 0.181 886 N C 1.216 176.894 175.510 0.280 0.000 1.019 886 N CA 1.601 54.811 53.050 0.267 0.000 0.862 886 N CB -1.244 37.373 38.487 0.217 0.000 0.992 886 N HN 0.102 nan 8.380 nan 0.000 0.429 887 H N 0.875 120.050 119.070 0.175 0.000 2.353 887 H HA 0.001 4.557 4.556 0.001 0.000 0.298 887 H C 1.937 177.402 175.328 0.228 0.000 1.103 887 H CA 1.219 57.406 56.048 0.231 0.000 1.293 887 H CB -0.357 29.565 29.762 0.265 0.000 1.372 887 H HN 0.098 nan 8.280 nan 0.000 0.501 888 L N 0.414 121.763 121.223 0.209 0.000 1.944 888 L HA -0.215 4.126 4.340 0.001 0.000 0.218 888 L C 2.157 179.051 176.870 0.041 0.000 1.075 888 L CA 1.832 56.517 54.840 -0.258 0.000 0.767 888 L CB -1.050 40.888 42.059 -0.201 0.000 0.890 888 L HN 0.332 nan 8.230 nan 0.000 0.434 889 L N 0.120 121.390 121.223 0.078 0.000 2.043 889 L HA -0.290 4.051 4.340 0.001 0.000 0.212 889 L C 2.489 179.396 176.870 0.062 0.000 1.075 889 L CA 1.477 56.312 54.840 -0.009 0.000 0.752 889 L CB -0.798 41.212 42.059 -0.082 0.000 0.891 889 L HN 0.421 nan 8.230 nan 0.000 0.432 890 N N -0.532 118.221 118.700 0.088 0.000 2.043 890 N HA -0.268 4.472 4.740 0.001 0.000 0.193 890 N C 1.876 177.451 175.510 0.107 0.000 1.037 890 N CA 1.700 54.793 53.050 0.072 0.000 0.851 890 N CB -0.513 37.998 38.487 0.041 0.000 1.027 890 N HN 0.324 nan 8.380 nan 0.000 0.422 891 Y N 0.781 121.105 120.300 0.040 0.000 2.207 891 Y HA -0.272 4.278 4.550 0.001 0.000 0.287 891 Y C 2.072 177.970 175.900 -0.003 0.000 1.156 891 Y CA 1.538 59.653 58.100 0.026 0.000 1.182 891 Y CB -0.502 37.983 38.460 0.042 0.000 0.979 891 Y HN 0.061 nan 8.280 nan 0.000 0.521 892 Y N 0.485 120.777 120.300 -0.014 0.000 2.114 892 Y HA -0.230 4.320 4.550 0.001 0.000 0.284 892 Y C 2.721 178.576 175.900 -0.075 0.000 1.143 892 Y CA 2.153 60.231 58.100 -0.037 0.000 1.135 892 Y CB -0.625 37.870 38.460 0.057 0.000 0.980 892 Y HN 0.027 nan 8.280 nan 0.000 0.499 893 K N 0.560 121.011 120.400 0.085 0.000 2.044 893 K HA -0.269 4.051 4.320 0.001 0.000 0.210 893 K C 1.772 178.348 176.600 -0.041 0.000 1.049 893 K CA 2.181 58.481 56.287 0.021 0.000 0.927 893 K CB -0.165 32.338 32.500 0.005 0.000 0.713 893 K HN 0.426 nan 8.250 nan 0.000 0.443 894 E N 0.060 120.205 120.200 -0.091 0.000 2.110 894 E HA -0.218 4.132 4.350 0.001 0.000 0.193 894 E C 1.780 178.267 176.600 -0.189 0.000 0.988 894 E CA 0.926 57.249 56.400 -0.130 0.000 0.804 894 E CB 0.017 29.631 29.700 -0.144 0.000 0.745 894 E HN 0.225 nan 8.360 nan 0.000 0.458 895 Q N 0.862 120.478 119.800 -0.307 0.000 2.491 895 Q HA -0.030 4.311 4.340 0.001 0.000 0.214 895 Q C -0.509 175.407 176.000 -0.141 0.000 0.970 895 Q CA 0.440 56.055 55.803 -0.313 0.000 0.960 895 Q CB -0.179 28.237 28.738 -0.537 0.000 0.996 895 Q HN 0.058 nan 8.270 nan 0.000 0.524 896 K N -1.529 118.823 120.400 -0.081 0.000 3.117 896 K HA -0.168 4.152 4.320 0.001 0.000 0.269 896 K C -1.133 175.486 176.600 0.033 0.000 1.098 896 K CA 0.732 57.008 56.287 -0.019 0.000 0.785 896 K CB -2.132 30.357 32.500 -0.017 0.000 1.242 896 K HN 0.168 nan 8.250 nan 0.000 0.491 897 V N 0.520 120.478 119.914 0.074 0.000 2.567 897 V HA 0.752 4.872 4.120 0.001 0.000 0.298 897 V C -1.749 174.523 176.094 0.296 0.000 1.047 897 V CA -0.730 61.688 62.300 0.196 0.000 0.880 897 V CB 1.739 33.719 31.823 0.261 0.000 1.009 897 V HN 0.244 nan 8.190 nan 0.000 0.429 898 L N 7.610 128.980 121.223 0.245 0.000 4.057 898 L HA 0.616 4.957 4.340 0.001 0.000 0.264 898 L C -1.093 175.851 176.870 0.124 0.000 1.024 898 L CA 0.298 55.278 54.840 0.233 0.000 1.268 898 L CB 1.358 43.487 42.059 0.116 0.000 2.019 898 L HN 1.065 nan 8.230 nan 0.000 0.637 899 V N 1.402 121.389 119.914 0.121 0.000 3.155 899 V HA 1.052 5.173 4.120 0.001 0.000 0.313 899 V C -0.976 174.990 176.094 -0.215 0.000 1.162 899 V CA -0.366 61.900 62.300 -0.058 0.000 1.048 899 V CB 2.242 33.977 31.823 -0.147 0.000 1.092 899 V HN 0.894 nan 8.190 nan 0.000 0.447 900 E N 0.378 120.412 120.200 -0.278 0.000 2.311 900 E HA 0.625 4.976 4.350 0.001 0.000 0.281 900 E C -0.191 176.257 176.600 -0.253 0.000 0.905 900 E CA -0.562 55.626 56.400 -0.353 0.000 0.778 900 E CB 1.318 30.909 29.700 -0.182 0.000 1.240 900 E HN 2.272 nan 8.360 nan 0.000 0.410 901 G N 4.274 112.930 108.800 -0.239 0.000 2.920 901 G HA2 -0.153 3.807 3.960 0.001 0.000 0.210 901 G HA3 -0.153 3.807 3.960 0.001 0.000 0.210 901 G C -2.103 172.817 174.900 0.034 0.000 0.806 901 G CA -0.405 44.699 45.100 0.007 0.000 0.853 901 G HN 0.523 nan 8.290 nan 0.000 0.333 902 P HA 0.267 nan 4.420 nan 0.000 0.265 902 P C 0.532 177.817 177.300 -0.025 0.000 1.187 902 P CA 0.096 63.239 63.100 0.071 0.000 0.766 902 P CB 0.654 32.418 31.700 0.107 0.000 0.820 903 L N -0.211 120.958 121.223 -0.089 0.000 3.362 903 L HA -0.237 4.103 4.340 0.001 0.000 0.613 903 L C 0.299 177.116 176.870 -0.088 0.000 1.318 903 L CA 0.881 55.659 54.840 -0.103 0.000 1.019 903 L CB -2.572 39.439 42.059 -0.080 0.000 1.696 903 L HN 0.629 nan 8.230 nan 0.000 0.866 904 N N -0.701 117.931 118.700 -0.112 0.000 3.294 904 N HA 0.774 5.514 4.740 0.001 0.000 0.355 904 N C -0.152 175.300 175.510 -0.098 0.000 1.497 904 N CA -0.624 52.362 53.050 -0.106 0.000 0.707 904 N CB 1.200 39.603 38.487 -0.139 0.000 1.732 904 N HN 0.303 nan 8.380 nan 0.000 0.640 905 N N -2.454 116.191 118.700 -0.091 0.000 3.378 905 N HA 0.236 4.977 4.740 0.001 0.000 0.294 905 N C -1.249 174.230 175.510 -0.052 0.000 1.544 905 N CA -0.618 52.393 53.050 -0.064 0.000 0.872 905 N CB 0.911 39.371 38.487 -0.046 0.000 1.670 905 N HN 0.206 nan 8.380 nan 0.000 0.551 906 L N 1.596 122.803 121.223 -0.028 0.000 2.498 906 L HA 0.100 4.440 4.340 0.001 0.000 0.293 906 L C 0.818 177.676 176.870 -0.020 0.000 1.271 906 L CA 1.237 56.069 54.840 -0.013 0.000 0.831 906 L CB -0.216 41.839 42.059 -0.008 0.000 1.091 906 L HN 0.642 nan 8.230 nan 0.000 0.535 907 R N 0.219 120.712 120.500 -0.012 0.000 2.774 907 R HA 0.458 4.798 4.340 0.001 0.000 0.272 907 R C -1.070 175.217 176.300 -0.022 0.000 1.000 907 R CA -0.651 55.437 56.100 -0.021 0.000 0.906 907 R CB 2.148 32.436 30.300 -0.021 0.000 1.227 907 R HN 0.591 nan 8.270 nan 0.000 0.468 908 E N 0.000 120.185 120.200 -0.025 0.000 2.725 908 E HA 0.000 4.350 4.350 0.001 0.000 0.291 908 E CA 0.000 56.385 56.400 -0.024 0.000 0.976 908 E CB 0.000 29.689 29.700 -0.019 0.000 0.812 908 E HN 0.000 nan 8.360 nan 0.000 0.440