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 3fax_1_A DATA FIRST_RESID 383 DATA SEQUENCE VQLKDAQQTD LTSIQASFTT LDGVDKTEIL KELKVTDKXQ NAIQISDITL DATA SEQUENCE DTSKSLLIIK GDFNPKQGHF NISYNXNNVT TRQSWEFKDQ LYAYSGNLGA DATA SEQUENCE VLNQDGSKVE ASLWSPSADS VTMIIYDKDN QNRVVATTPL VKNNKGVWQT DATA SEQUENCE ILDTKLGIKN YTGYYYLYEI KRGXDKVKIL DPYAKSLAEW DSNTVNDDIK DATA SEQUENCE TAKAAFVNPS QLGPQNLSFA KIANFKGRQD AVIYEAHVRD FTSDQSLDGX DATA SEQUENCE XKNQLGTFAA FSEKLDYLQK LGVTHIQLLP VLSYFYVNEM DKSRSTAYTS DATA SEQUENCE SDNNYNWGYD PQSYFALSGM YSEKPKDPSA RIAELKQLIH DIHKRGMGVI DATA SEQUENCE LDVVYNHTAK TYLFEDIEPN YYHFMNEDGS PRESFGGGRL GTTHAMSRRV DATA SEQUENCE LVDSIKYLTS EFKVDGFRFD MMGDHDAAAI ELAYKEAKAI NPNMIMIGEG DATA SEQUENCE WRTFQGDQGK PVKPADQDWM KSTDTVGVFS DDIRNSLKSG FPNEGTPAFI DATA SEQUENCE TGGPQSLQGI FKNIKAQPGN FEADSPGDVV QYIAAHDNLT LHDVIAKSIN DATA SEQUENCE KDPKVAEEDI HRRLRLGNVM ILTSQGTAFI HSGQEYGRTK RLLNPDYMTK DATA SEQUENCE VSXDKLPNKA TLIEAVKEYP YFIHDSYDSS DAINHFDWAA ATDNNKHPIS DATA SEQUENCE TKTQAYTAGL ITLRRSTDAF RKLSKAEIDR EVSLITEVGQ GDIKEKDLVI DATA SEQUENCE AYQTIDSXGD IYAVFVNADS KARNVLLGEK YKHLLKGQVI VDADQAGIKP DATA SEQUENCE ISTPRGVHFE KDSLLIDPLT AIVIKVGK 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 383 V HA 0.000 nan 4.120 nan 0.000 0.244 383 V C 0.000 176.212 176.094 0.197 0.000 1.182 383 V CA 0.000 62.372 62.300 0.120 0.000 1.235 383 V CB 0.000 31.876 31.823 0.088 0.000 1.184 384 Q N 3.346 123.256 119.800 0.183 0.000 2.394 384 Q HA 0.597 4.935 4.340 -0.003 0.000 0.273 384 Q C -0.981 175.015 176.000 -0.008 0.000 1.089 384 Q CA -1.089 54.801 55.803 0.145 0.000 0.812 384 Q CB 3.253 32.041 28.738 0.083 0.000 1.353 384 Q HN 0.665 nan 8.270 nan 0.000 0.438 385 L N 2.124 123.224 121.223 -0.206 0.000 2.360 385 L HA 0.112 4.451 4.340 -0.003 0.000 0.276 385 L C 0.349 177.006 176.870 -0.355 0.000 1.121 385 L CA 0.927 55.363 54.840 -0.673 0.000 0.845 385 L CB 0.346 42.084 42.059 -0.536 0.000 1.143 385 L HN 0.604 nan 8.230 nan 0.000 0.452 386 K N 2.304 122.483 120.400 -0.369 0.000 2.157 386 K HA 0.181 4.499 4.320 -0.003 0.000 0.207 386 K C -0.073 176.429 176.600 -0.163 0.000 1.030 386 K CA 0.219 56.396 56.287 -0.183 0.000 0.965 386 K CB 0.171 32.600 32.500 -0.119 0.000 0.877 386 K HN 0.638 nan 8.250 nan 0.000 0.460 387 D N -1.543 118.745 120.400 -0.187 0.000 2.566 387 D HA 0.617 5.256 4.640 -0.003 0.000 0.254 387 D C -1.898 174.315 176.300 -0.145 0.000 1.090 387 D CA -0.597 53.331 54.000 -0.122 0.000 1.034 387 D CB 2.306 43.064 40.800 -0.069 0.000 1.434 387 D HN 0.174 nan 8.370 nan 0.000 0.509 388 A N 1.011 123.771 122.820 -0.100 0.000 2.540 388 A HA 0.600 4.918 4.320 -0.003 0.000 0.297 388 A C -1.599 175.936 177.584 -0.083 0.000 1.056 388 A CA -0.609 51.367 52.037 -0.102 0.000 0.700 388 A CB 1.449 20.383 19.000 -0.111 0.000 1.280 388 A HN 0.369 nan 8.150 nan 0.000 0.398 389 Q N 1.262 121.007 119.800 -0.091 0.000 2.285 389 Q HA 0.388 4.726 4.340 -0.003 0.000 0.269 389 Q C -0.961 174.956 176.000 -0.138 0.000 1.030 389 Q CA -0.504 55.248 55.803 -0.085 0.000 0.788 389 Q CB 2.792 31.498 28.738 -0.054 0.000 1.266 389 Q HN 0.799 nan 8.270 nan 0.000 0.438 390 Q N 1.314 121.026 119.800 -0.147 0.000 2.295 390 Q HA 0.126 4.464 4.340 -0.003 0.000 0.259 390 Q C 0.430 176.169 176.000 -0.434 0.000 0.976 390 Q CA 0.308 55.936 55.803 -0.291 0.000 0.923 390 Q CB 0.802 29.409 28.738 -0.217 0.000 1.185 390 Q HN 0.861 nan 8.270 nan 0.000 0.410 391 T N -0.319 113.947 114.554 -0.481 0.000 3.034 391 T HA 0.124 4.472 4.350 -0.003 0.000 0.248 391 T C -0.076 174.317 174.700 -0.511 0.000 1.040 391 T CA 0.711 62.581 62.100 -0.383 0.000 1.107 391 T CB 0.150 68.890 68.868 -0.213 0.000 0.932 391 T HN 0.759 nan 8.240 nan 0.000 0.474 392 D N -0.754 119.243 120.400 -0.671 0.000 2.759 392 D HA 0.384 5.022 4.640 -0.003 0.000 0.321 392 D C 0.525 176.594 176.300 -0.385 0.000 1.267 392 D CA -0.950 52.763 54.000 -0.479 0.000 0.933 392 D CB 0.125 40.881 40.800 -0.074 0.000 1.431 392 D HN -0.207 nan 8.370 nan 0.000 0.504 393 L N -0.227 121.040 121.223 0.073 0.000 2.137 393 L HA -0.005 4.334 4.340 -0.003 0.000 0.213 393 L C 1.783 178.693 176.870 0.068 0.000 1.085 393 L CA 2.538 57.473 54.840 0.159 0.000 0.760 393 L CB -1.354 40.794 42.059 0.148 0.000 0.893 393 L HN 0.911 nan 8.230 nan 0.000 0.434 394 T N -6.194 108.365 114.554 0.007 0.000 3.393 394 T HA 0.354 4.703 4.350 -0.003 0.000 0.298 394 T C 0.289 175.038 174.700 0.081 0.000 1.004 394 T CA -0.284 61.799 62.100 -0.028 0.000 0.956 394 T CB 0.038 68.848 68.868 -0.098 0.000 1.182 394 T HN 0.006 nan 8.240 nan 0.000 0.497 395 S N 1.076 116.836 115.700 0.100 0.000 2.736 395 S HA 0.640 5.109 4.470 -0.003 0.000 0.285 395 S C -0.853 173.683 174.600 -0.106 0.000 1.163 395 S CA -0.667 57.554 58.200 0.034 0.000 1.025 395 S CB 1.166 64.329 63.200 -0.062 0.000 1.030 395 S HN 0.443 nan 8.310 nan 0.000 0.486 396 I N 2.611 123.091 120.570 -0.150 0.000 2.433 396 I HA 0.405 4.573 4.170 -0.003 0.000 0.292 396 I C -0.110 175.912 176.117 -0.158 0.000 1.001 396 I CA -0.442 60.675 61.300 -0.304 0.000 1.119 396 I CB 1.912 39.536 38.000 -0.627 0.000 1.289 396 I HN 0.468 nan 8.210 nan 0.000 0.438 397 Q N 5.632 125.353 119.800 -0.132 0.000 2.394 397 Q HA 0.641 4.979 4.340 -0.003 0.000 0.259 397 Q C -1.174 174.795 176.000 -0.050 0.000 1.021 397 Q CA -0.726 55.038 55.803 -0.066 0.000 0.805 397 Q CB 1.643 30.342 28.738 -0.065 0.000 1.226 397 Q HN 0.779 nan 8.270 nan 0.000 0.476 398 A N 3.324 126.149 122.820 0.008 0.000 2.260 398 A HA 0.540 4.858 4.320 -0.003 0.000 0.314 398 A C -0.469 177.143 177.584 0.046 0.000 1.257 398 A CA -0.487 51.541 52.037 -0.015 0.000 0.871 398 A CB 1.066 20.097 19.000 0.051 0.000 1.166 398 A HN 0.694 nan 8.150 nan 0.000 0.522 399 S N 1.825 117.470 115.700 -0.093 0.000 2.513 399 S HA 0.663 5.132 4.470 -0.003 0.000 0.276 399 S C -0.641 173.851 174.600 -0.181 0.000 1.254 399 S CA 0.050 58.235 58.200 -0.025 0.000 1.053 399 S CB 0.173 63.349 63.200 -0.041 0.000 0.958 399 S HN 0.498 nan 8.310 nan 0.000 0.491 400 F N 0.314 120.222 119.950 -0.070 0.000 2.618 400 F HA 0.337 4.862 4.527 -0.003 0.000 0.332 400 F C 2.005 177.773 175.800 -0.053 0.000 1.061 400 F CA -0.917 57.033 58.000 -0.083 0.000 0.974 400 F CB 1.313 40.235 39.000 -0.131 0.000 1.310 400 F HN 0.642 nan 8.300 nan 0.000 0.491 401 T N -3.109 111.532 114.554 0.145 0.000 2.821 401 T HA 0.030 4.378 4.350 -0.003 0.000 0.267 401 T C 0.595 175.340 174.700 0.075 0.000 1.046 401 T CA 1.396 63.545 62.100 0.081 0.000 1.139 401 T CB -0.099 68.805 68.868 0.060 0.000 0.871 401 T HN 0.580 nan 8.240 nan 0.000 0.454 402 T N -0.862 113.744 114.554 0.086 0.000 2.830 402 T HA 0.547 4.895 4.350 -0.003 0.000 0.322 402 T C -1.107 173.576 174.700 -0.028 0.000 1.501 402 T CA -0.795 61.322 62.100 0.029 0.000 1.036 402 T CB 1.346 70.226 68.868 0.019 0.000 1.379 402 T HN 0.169 nan 8.240 nan 0.000 0.493 403 L N 1.693 122.875 121.223 -0.069 0.000 3.122 403 L HA 0.376 4.715 4.340 -0.003 0.000 0.274 403 L C -0.317 176.503 176.870 -0.084 0.000 1.222 403 L CA -0.441 54.317 54.840 -0.136 0.000 1.028 403 L CB 0.603 42.552 42.059 -0.184 0.000 1.386 403 L HN 0.503 nan 8.230 nan 0.000 0.578 404 D N 1.333 121.706 120.400 -0.046 0.000 2.417 404 D HA 0.294 4.932 4.640 -0.003 0.000 0.250 404 D C 1.329 177.614 176.300 -0.025 0.000 1.166 404 D CA 1.221 55.203 54.000 -0.030 0.000 0.881 404 D CB 1.409 42.200 40.800 -0.015 0.000 1.164 404 D HN 0.295 nan 8.370 nan 0.000 0.467 405 G N 1.245 110.031 108.800 -0.023 0.000 2.184 405 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.264 405 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.264 405 G C 0.307 175.198 174.900 -0.015 0.000 0.975 405 G CA 0.366 45.458 45.100 -0.015 0.000 0.642 405 G HN 0.498 nan 8.290 nan 0.000 0.536 406 V N 0.483 120.379 119.914 -0.030 0.000 2.532 406 V HA 0.650 4.768 4.120 -0.003 0.000 0.295 406 V C 0.212 176.280 176.094 -0.042 0.000 1.041 406 V CA -0.573 61.710 62.300 -0.030 0.000 0.926 406 V CB 1.846 33.640 31.823 -0.048 0.000 0.992 406 V HN 0.272 nan 8.190 nan 0.000 0.457 407 D N 1.426 121.811 120.400 -0.025 0.000 2.326 407 D HA 0.298 4.937 4.640 -0.003 0.000 0.251 407 D C 0.955 177.238 176.300 -0.029 0.000 1.023 407 D CA -0.587 53.398 54.000 -0.025 0.000 0.966 407 D CB 1.484 42.278 40.800 -0.011 0.000 1.156 407 D HN 0.469 nan 8.370 nan 0.000 0.494 408 K N -0.160 120.223 120.400 -0.029 0.000 2.097 408 K HA -0.118 4.200 4.320 -0.003 0.000 0.206 408 K C 1.264 177.861 176.600 -0.005 0.000 1.049 408 K CA 1.376 57.648 56.287 -0.025 0.000 0.933 408 K CB -0.008 32.478 32.500 -0.022 0.000 0.717 408 K HN 0.467 nan 8.250 nan 0.000 0.442 409 T N 1.419 115.972 114.554 -0.002 0.000 2.812 409 T HA -0.065 4.283 4.350 -0.003 0.000 0.264 409 T C 1.431 176.140 174.700 0.016 0.000 1.042 409 T CA 1.030 63.134 62.100 0.006 0.000 1.140 409 T CB -0.064 68.806 68.868 0.002 0.000 0.870 409 T HN 0.278 nan 8.240 nan 0.000 0.445 410 E N 1.024 121.235 120.200 0.018 0.000 2.152 410 E HA 0.057 4.405 4.350 -0.003 0.000 0.192 410 E C 2.193 178.837 176.600 0.072 0.000 0.983 410 E CA 0.576 56.996 56.400 0.033 0.000 0.818 410 E CB -0.350 29.370 29.700 0.034 0.000 0.758 410 E HN 0.522 nan 8.360 nan 0.000 0.467 411 I N 0.780 121.399 120.570 0.081 0.000 2.233 411 I HA -0.200 3.969 4.170 -0.003 0.000 0.243 411 I C 2.466 178.675 176.117 0.152 0.000 1.093 411 I CA 0.623 62.020 61.300 0.163 0.000 1.380 411 I CB -0.224 37.789 38.000 0.022 0.000 1.067 411 I HN 0.012 nan 8.210 nan 0.000 0.413 412 L N 0.788 122.057 121.223 0.076 0.000 2.129 412 L HA -0.282 4.057 4.340 -0.003 0.000 0.212 412 L C 2.625 179.528 176.870 0.054 0.000 1.087 412 L CA 1.483 56.361 54.840 0.063 0.000 0.757 412 L CB -0.540 41.540 42.059 0.035 0.000 0.896 412 L HN 0.300 nan 8.230 nan 0.000 0.434 413 K N 0.286 120.709 120.400 0.038 0.000 1.973 413 K HA -0.272 4.046 4.320 -0.003 0.000 0.212 413 K C 2.052 178.643 176.600 -0.014 0.000 1.047 413 K CA 2.058 58.351 56.287 0.010 0.000 0.937 413 K CB 0.013 32.512 32.500 -0.001 0.000 0.721 413 K HN 0.061 nan 8.250 nan 0.000 0.440 414 E N 0.506 120.673 120.200 -0.054 0.000 2.158 414 E HA -0.064 4.284 4.350 -0.003 0.000 0.191 414 E C 0.011 176.543 176.600 -0.114 0.000 0.982 414 E CA 0.171 56.443 56.400 -0.214 0.000 0.823 414 E CB -0.024 29.306 29.700 -0.616 0.000 0.766 414 E HN 0.155 nan 8.360 nan 0.000 0.468 415 L N 1.504 122.795 121.223 0.113 0.000 2.410 415 L HA 0.279 4.617 4.340 -0.003 0.000 0.273 415 L C -0.886 176.066 176.870 0.136 0.000 1.152 415 L CA 0.689 55.681 54.840 0.252 0.000 0.855 415 L CB 0.446 42.689 42.059 0.307 0.000 1.129 415 L HN -0.091 nan 8.230 nan 0.000 0.463 416 K N 3.338 123.817 120.400 0.132 0.000 2.525 416 K HA 0.643 4.961 4.320 -0.003 0.000 0.254 416 K C -1.662 175.003 176.600 0.108 0.000 0.934 416 K CA -0.731 55.617 56.287 0.101 0.000 0.802 416 K CB 2.310 34.851 32.500 0.069 0.000 1.295 416 K HN 0.374 nan 8.250 nan 0.000 0.433 417 V N 1.637 121.622 119.914 0.119 0.000 2.581 417 V HA 0.571 4.689 4.120 -0.003 0.000 0.303 417 V C -0.304 175.894 176.094 0.172 0.000 1.041 417 V CA -0.579 61.800 62.300 0.133 0.000 0.907 417 V CB 1.895 33.811 31.823 0.155 0.000 0.994 417 V HN 0.781 nan 8.190 nan 0.000 0.442 418 T N 2.856 117.535 114.554 0.209 0.000 2.900 418 T HA 0.472 4.821 4.350 -0.003 0.000 0.295 418 T C -0.923 173.972 174.700 0.324 0.000 1.044 418 T CA -0.598 61.632 62.100 0.216 0.000 0.995 418 T CB 1.807 70.755 68.868 0.134 0.000 1.072 418 T HN 0.942 nan 8.240 nan 0.000 0.473 419 D N 0.967 121.525 120.400 0.262 0.000 2.466 419 D HA 0.342 4.980 4.640 -0.003 0.000 0.262 419 D C 0.539 176.833 176.300 -0.010 0.000 1.177 419 D CA -0.754 53.334 54.000 0.147 0.000 1.035 419 D CB 0.468 41.369 40.800 0.170 0.000 1.105 419 D HN 0.488 nan 8.370 nan 0.000 0.551 423 N N 2.205 120.946 118.700 0.068 0.000 2.508 423 N HA 0.468 5.206 4.740 -0.003 0.000 0.264 423 N C -0.465 175.108 175.510 0.104 0.000 1.216 423 N CA 0.704 53.799 53.050 0.075 0.000 0.943 423 N CB 1.039 39.569 38.487 0.071 0.000 1.113 423 N HN 0.440 nan 8.380 nan 0.000 0.447 424 A N 2.232 125.106 122.820 0.089 0.000 2.409 424 A HA 0.355 4.673 4.320 -0.003 0.000 0.262 424 A C 0.143 177.794 177.584 0.111 0.000 1.113 424 A CA -0.381 51.716 52.037 0.100 0.000 0.790 424 A CB 0.007 19.050 19.000 0.071 0.000 1.046 424 A HN 0.520 nan 8.150 nan 0.000 0.496 425 I N 1.883 122.539 120.570 0.143 0.000 2.385 425 I HA 0.165 4.334 4.170 -0.003 0.000 0.294 425 I C 0.475 176.634 176.117 0.070 0.000 0.988 425 I CA -0.272 61.102 61.300 0.124 0.000 1.265 425 I CB 1.213 39.334 38.000 0.200 0.000 1.388 425 I HN 0.740 nan 8.210 nan 0.000 0.480 426 Q N 4.591 124.397 119.800 0.009 0.000 2.271 426 Q HA 0.243 4.581 4.340 -0.003 0.000 0.273 426 Q C -0.186 175.789 176.000 -0.040 0.000 1.051 426 Q CA 0.290 56.085 55.803 -0.014 0.000 0.901 426 Q CB 0.929 29.645 28.738 -0.036 0.000 1.174 426 Q HN 0.449 nan 8.270 nan 0.000 0.385 427 I N 2.071 122.645 120.570 0.006 0.000 2.322 427 I HA -0.021 4.147 4.170 -0.003 0.000 0.292 427 I C 0.869 176.979 176.117 -0.011 0.000 1.060 427 I CA 0.279 61.595 61.300 0.027 0.000 1.309 427 I CB 0.849 38.893 38.000 0.074 0.000 1.415 427 I HN 0.692 nan 8.210 nan 0.000 0.492 428 S N 4.225 119.894 115.700 -0.051 0.000 2.406 428 S HA 0.016 4.485 4.470 -0.003 0.000 0.224 428 S C 0.166 174.749 174.600 -0.029 0.000 1.030 428 S CA 0.744 58.907 58.200 -0.062 0.000 0.958 428 S CB 0.015 63.147 63.200 -0.113 0.000 0.811 428 S HN 0.814 nan 8.310 nan 0.000 0.489 429 D N -1.187 119.208 120.400 -0.008 0.000 2.728 429 D HA 0.320 4.958 4.640 -0.003 0.000 0.249 429 D C -1.458 174.853 176.300 0.019 0.000 1.225 429 D CA -0.502 53.498 54.000 0.001 0.000 0.748 429 D CB 1.084 41.878 40.800 -0.011 0.000 1.326 429 D HN 0.264 nan 8.370 nan 0.000 0.426 430 I N -1.566 119.011 120.570 0.012 0.000 2.689 430 I HA 0.804 4.972 4.170 -0.003 0.000 0.299 430 I C -0.951 175.161 176.117 -0.009 0.000 1.059 430 I CA -0.500 60.806 61.300 0.010 0.000 1.055 430 I CB 2.505 40.511 38.000 0.010 0.000 1.243 430 I HN 0.161 nan 8.210 nan 0.000 0.425 431 T N 5.791 120.337 114.554 -0.015 0.000 2.841 431 T HA 0.570 4.918 4.350 -0.003 0.000 0.285 431 T C -0.537 174.139 174.700 -0.039 0.000 0.991 431 T CA -0.464 61.621 62.100 -0.025 0.000 0.966 431 T CB 1.596 70.453 68.868 -0.019 0.000 0.962 431 T HN 0.325 nan 8.240 nan 0.000 0.438 432 L N 3.164 124.355 121.223 -0.054 0.000 2.305 432 L HA 0.424 4.763 4.340 -0.003 0.000 0.281 432 L C 0.494 177.332 176.870 -0.052 0.000 1.085 432 L CA -0.206 54.589 54.840 -0.075 0.000 0.813 432 L CB 0.493 42.496 42.059 -0.093 0.000 1.157 432 L HN 0.598 nan 8.230 nan 0.000 0.436 433 D N 1.136 121.508 120.400 -0.047 0.000 2.479 433 D HA 0.089 4.727 4.640 -0.003 0.000 0.247 433 D C 1.079 177.358 176.300 -0.035 0.000 1.119 433 D CA -0.062 53.920 54.000 -0.030 0.000 0.922 433 D CB 1.050 41.840 40.800 -0.016 0.000 1.014 433 D HN 0.595 nan 8.370 nan 0.000 0.510 434 T N 1.043 115.573 114.554 -0.041 0.000 2.788 434 T HA -0.186 4.162 4.350 -0.003 0.000 0.268 434 T C 1.850 176.536 174.700 -0.023 0.000 1.044 434 T CA 2.084 64.159 62.100 -0.042 0.000 1.139 434 T CB 0.080 68.924 68.868 -0.041 0.000 0.867 434 T HN 0.352 nan 8.240 nan 0.000 0.454 435 S N 0.132 115.823 115.700 -0.015 0.000 2.353 435 S HA -0.095 4.374 4.470 -0.003 0.000 0.222 435 S C 2.054 176.654 174.600 -0.000 0.000 1.035 435 S CA 1.631 59.827 58.200 -0.007 0.000 1.025 435 S CB -0.328 62.870 63.200 -0.005 0.000 0.902 435 S HN 0.562 nan 8.310 nan 0.000 0.440 436 K N 0.254 120.655 120.400 0.002 0.000 2.404 436 K HA 0.217 4.535 4.320 -0.003 0.000 0.194 436 K C -0.193 176.420 176.600 0.022 0.000 1.023 436 K CA 0.529 56.822 56.287 0.011 0.000 1.094 436 K CB 0.130 32.637 32.500 0.011 0.000 0.841 436 K HN 0.388 nan 8.250 nan 0.000 0.523 437 S N 0.511 116.220 115.700 0.016 0.000 3.697 437 S HA -0.156 4.313 4.470 -0.003 0.000 0.388 437 S C -0.764 173.890 174.600 0.090 0.000 0.941 437 S CA 0.879 59.099 58.200 0.034 0.000 1.247 437 S CB -1.603 61.629 63.200 0.054 0.000 0.904 437 S HN 0.420 nan 8.310 nan 0.000 0.518 438 L N -2.661 118.595 121.223 0.055 0.000 2.466 438 L HA 0.944 5.282 4.340 -0.003 0.000 0.258 438 L C -0.868 176.024 176.870 0.038 0.000 0.973 438 L CA -1.180 53.731 54.840 0.119 0.000 0.826 438 L CB 0.861 42.971 42.059 0.084 0.000 1.372 438 L HN -0.028 nan 8.230 nan 0.000 0.409 439 L N 2.832 124.111 121.223 0.093 0.000 2.289 439 L HA 0.574 4.912 4.340 -0.003 0.000 0.285 439 L C -0.487 176.407 176.870 0.039 0.000 1.049 439 L CA 0.027 54.880 54.840 0.022 0.000 0.804 439 L CB 1.297 43.377 42.059 0.036 0.000 1.195 439 L HN 0.569 nan 8.230 nan 0.000 0.428 440 I N 5.314 125.888 120.570 0.008 0.000 2.304 440 I HA 0.298 4.466 4.170 -0.003 0.000 0.291 440 I C -0.119 176.012 176.117 0.022 0.000 1.018 440 I CA 0.278 61.581 61.300 0.004 0.000 1.260 440 I CB 0.561 38.557 38.000 -0.007 0.000 1.390 440 I HN 0.336 nan 8.210 nan 0.000 0.475 441 I N 7.156 127.748 120.570 0.037 0.000 2.336 441 I HA 0.339 4.507 4.170 -0.003 0.000 0.292 441 I C -0.108 176.135 176.117 0.211 0.000 0.991 441 I CA -0.872 60.488 61.300 0.100 0.000 1.227 441 I CB 0.743 38.787 38.000 0.073 0.000 1.366 441 I HN 0.328 nan 8.210 nan 0.000 0.466 442 K N 4.853 125.347 120.400 0.156 0.000 2.159 442 K HA 0.820 5.138 4.320 -0.003 0.000 0.266 442 K C -0.063 176.449 176.600 -0.145 0.000 0.975 442 K CA -0.477 55.847 56.287 0.062 0.000 0.865 442 K CB 2.105 34.592 32.500 -0.021 0.000 1.087 442 K HN 0.902 nan 8.250 nan 0.000 0.446 443 G N 0.708 109.116 108.800 -0.654 0.000 2.488 443 G HA2 0.045 4.004 3.960 -0.003 0.000 0.301 443 G HA3 0.045 4.004 3.960 -0.003 0.000 0.301 443 G C -1.673 172.534 174.900 -1.154 0.000 1.339 443 G CA -0.591 43.832 45.100 -1.129 0.000 0.803 443 G HN 0.386 nan 8.290 nan 0.000 0.482 444 D N 0.454 120.368 120.400 -0.809 0.000 2.517 444 D HA 0.300 4.939 4.640 -0.003 0.000 0.220 444 D C -0.320 175.722 176.300 -0.429 0.000 1.158 444 D CA -0.332 53.394 54.000 -0.456 0.000 0.992 444 D CB -0.403 40.271 40.800 -0.210 0.000 1.058 444 D HN 0.194 nan 8.370 nan 0.000 0.516 445 F N 2.141 121.997 119.950 -0.157 0.000 2.640 445 F HA 0.189 4.715 4.527 -0.003 0.000 0.331 445 F C 1.041 176.983 175.800 0.236 0.000 1.200 445 F CA -1.138 56.676 58.000 -0.311 0.000 1.278 445 F CB -0.256 38.321 39.000 -0.705 0.000 1.571 445 F HN 0.063 nan 8.300 nan 0.000 0.576 446 N N 2.675 121.636 118.700 0.435 0.000 2.440 446 N HA 0.045 4.783 4.740 -0.003 0.000 0.265 446 N C -1.520 174.251 175.510 0.434 0.000 1.239 446 N CA -1.248 52.018 53.050 0.360 0.000 0.909 446 N CB 0.880 39.493 38.487 0.211 0.000 1.066 446 N HN -0.020 nan 8.380 nan 0.000 0.474 447 P HA -0.250 nan 4.420 nan 0.000 0.217 447 P C 0.371 177.746 177.300 0.126 0.000 1.158 447 P CA 1.836 65.117 63.100 0.303 0.000 0.887 447 P CB 0.149 31.963 31.700 0.190 0.000 0.792 448 K N -0.817 119.637 120.400 0.090 0.000 2.362 448 K HA -0.064 4.254 4.320 -0.003 0.000 0.200 448 K C 1.031 177.621 176.600 -0.016 0.000 1.046 448 K CA 0.617 56.917 56.287 0.021 0.000 0.952 448 K CB -0.235 32.279 32.500 0.023 0.000 0.753 448 K HN 0.233 nan 8.250 nan 0.000 0.466 449 Q N 1.069 120.870 119.800 0.001 0.000 2.639 449 Q HA 0.096 4.434 4.340 -0.003 0.000 0.301 449 Q C 0.624 176.459 176.000 -0.276 0.000 1.029 449 Q CA 0.213 55.980 55.803 -0.061 0.000 0.936 449 Q CB -0.456 28.328 28.738 0.077 0.000 1.354 449 Q HN 0.417 nan 8.270 nan 0.000 0.417 450 G N 0.665 109.321 108.800 -0.239 0.000 2.726 450 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.261 450 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.261 450 G C -0.569 174.063 174.900 -0.448 0.000 1.352 450 G CA -0.357 44.554 45.100 -0.315 0.000 0.906 450 G HN 0.669 nan 8.290 nan 0.000 0.566 451 H N -1.187 117.705 119.070 -0.298 0.000 2.615 451 H HA 0.468 5.022 4.556 -0.003 0.000 0.363 451 H C 0.257 175.327 175.328 -0.429 0.000 1.148 451 H CA -0.191 55.685 56.048 -0.286 0.000 1.401 451 H CB 0.497 30.221 29.762 -0.064 0.000 1.461 451 H HN 0.334 nan 8.280 nan 0.000 0.588 452 F N 1.320 121.352 119.950 0.137 0.000 2.403 452 F HA 0.197 4.723 4.527 -0.003 0.000 0.326 452 F C 0.705 176.511 175.800 0.011 0.000 1.081 452 F CA -0.883 57.143 58.000 0.044 0.000 1.041 452 F CB 0.816 39.786 39.000 -0.051 0.000 1.234 452 F HN 0.580 nan 8.300 nan 0.000 0.503 453 N N 1.607 120.419 118.700 0.186 0.000 2.258 453 N HA 0.397 5.135 4.740 -0.003 0.000 0.299 453 N C -1.783 173.775 175.510 0.081 0.000 1.047 453 N CA -0.517 52.591 53.050 0.098 0.000 0.814 453 N CB 1.979 40.508 38.487 0.070 0.000 1.413 453 N HN 0.286 nan 8.380 nan 0.000 0.478 454 I N 1.098 121.692 120.570 0.039 0.000 2.359 454 I HA 0.305 4.473 4.170 -0.003 0.000 0.294 454 I C 0.341 176.493 176.117 0.059 0.000 0.987 454 I CA -0.711 60.612 61.300 0.039 0.000 1.225 454 I CB 0.928 38.923 38.000 -0.009 0.000 1.366 454 I HN 0.449 nan 8.210 nan 0.000 0.466 455 S N 5.974 121.732 115.700 0.097 0.000 2.475 455 S HA 0.700 5.168 4.470 -0.003 0.000 0.298 455 S C -1.057 173.667 174.600 0.207 0.000 1.119 455 S CA -0.410 57.854 58.200 0.108 0.000 1.085 455 S CB 1.409 64.652 63.200 0.072 0.000 1.028 455 S HN 0.509 nan 8.310 nan 0.000 0.489 456 Y N 1.858 122.187 120.300 0.048 0.000 2.558 456 Y HA 0.294 4.842 4.550 -0.003 0.000 0.333 456 Y C -0.327 175.609 175.900 0.061 0.000 1.125 456 Y CA -0.455 57.697 58.100 0.086 0.000 1.039 456 Y CB 1.044 39.605 38.460 0.168 0.000 1.331 456 Y HN 0.847 nan 8.280 nan 0.000 0.456 460 N N -0.716 117.997 118.700 0.022 0.000 2.404 460 N HA 0.722 5.461 4.740 -0.003 0.000 0.297 460 N C -1.380 174.130 175.510 0.001 0.000 1.163 460 N CA -0.607 52.454 53.050 0.019 0.000 0.864 460 N CB 2.269 40.774 38.487 0.030 0.000 1.247 460 N HN 0.442 nan 8.380 nan 0.000 0.510 461 V N 0.581 120.491 119.914 -0.008 0.000 2.612 461 V HA 0.367 4.486 4.120 -0.003 0.000 0.301 461 V C -0.621 175.471 176.094 -0.003 0.000 1.059 461 V CA -0.469 61.819 62.300 -0.020 0.000 0.886 461 V CB 1.646 33.431 31.823 -0.062 0.000 1.007 461 V HN 0.729 nan 8.190 nan 0.000 0.426 462 T N 4.902 119.464 114.554 0.012 0.000 2.916 462 T HA 0.258 4.607 4.350 -0.003 0.000 0.303 462 T C 0.470 175.165 174.700 -0.007 0.000 1.025 462 T CA 0.479 62.597 62.100 0.030 0.000 1.142 462 T CB 0.511 69.413 68.868 0.055 0.000 0.947 462 T HN 1.020 nan 8.240 nan 0.000 0.544 463 T N 2.037 116.587 114.554 -0.006 0.000 2.918 463 T HA 0.388 4.736 4.350 -0.003 0.000 0.302 463 T C 0.037 174.600 174.700 -0.229 0.000 1.045 463 T CA -0.891 61.167 62.100 -0.071 0.000 1.114 463 T CB 0.886 69.749 68.868 -0.009 0.000 0.965 463 T HN 0.588 nan 8.240 nan 0.000 0.540 464 R N 1.456 121.843 120.500 -0.188 0.000 2.664 464 R HA 0.306 4.644 4.340 -0.003 0.000 0.286 464 R C -0.385 175.854 176.300 -0.101 0.000 0.967 464 R CA -0.762 55.205 56.100 -0.222 0.000 0.933 464 R CB 1.230 31.492 30.300 -0.063 0.000 1.146 464 R HN 0.769 nan 8.270 nan 0.000 0.468 465 Q N 1.534 121.330 119.800 -0.007 0.000 2.286 465 Q HA 0.162 4.500 4.340 -0.003 0.000 0.257 465 Q C -0.194 175.940 176.000 0.224 0.000 0.941 465 Q CA -0.379 55.572 55.803 0.245 0.000 0.912 465 Q CB 1.567 30.552 28.738 0.413 0.000 1.192 465 Q HN 0.680 nan 8.270 nan 0.000 0.410 466 S N 2.147 117.960 115.700 0.190 0.000 2.593 466 S HA 0.053 4.521 4.470 -0.003 0.000 0.269 466 S C 1.021 175.716 174.600 0.159 0.000 1.334 466 S CA -0.826 57.435 58.200 0.100 0.000 1.015 466 S CB 0.417 63.579 63.200 -0.064 0.000 0.912 466 S HN 0.936 nan 8.310 nan 0.000 0.541 467 W N 1.455 122.810 121.300 0.092 0.000 2.374 467 W HA -0.123 4.535 4.660 -0.003 0.000 0.288 467 W C 0.783 177.370 176.519 0.113 0.000 1.218 467 W CA 1.268 58.651 57.345 0.065 0.000 1.245 467 W CB -1.087 28.099 29.460 -0.457 0.000 1.126 467 W HN 0.700 nan 8.180 nan 0.000 0.545 468 E N 0.487 120.266 120.200 -0.702 0.000 2.110 468 E HA -0.173 4.175 4.350 -0.003 0.000 0.193 468 E C 1.898 178.478 176.600 -0.034 0.000 0.988 468 E CA 1.835 57.906 56.400 -0.548 0.000 0.804 468 E CB -0.868 28.380 29.700 -0.752 0.000 0.745 468 E HN 0.206 nan 8.360 nan 0.000 0.458 469 F N 1.581 121.454 119.950 -0.128 0.000 2.163 469 F HA -0.035 4.491 4.527 -0.003 0.000 0.297 469 F C 1.628 177.444 175.800 0.027 0.000 1.094 469 F CA 1.264 59.239 58.000 -0.041 0.000 1.290 469 F CB 0.014 38.999 39.000 -0.025 0.000 1.017 469 F HN -0.175 nan 8.300 nan 0.000 0.483 470 K N -0.054 120.425 120.400 0.132 0.000 2.103 470 K HA -0.189 4.129 4.320 -0.003 0.000 0.207 470 K C 1.725 178.446 176.600 0.201 0.000 1.048 470 K CA 1.653 58.066 56.287 0.208 0.000 0.930 470 K CB -0.341 32.431 32.500 0.455 0.000 0.716 470 K HN 0.211 nan 8.250 nan 0.000 0.444 471 D N 0.691 121.256 120.400 0.276 0.000 2.097 471 D HA -0.193 4.445 4.640 -0.003 0.000 0.195 471 D C 1.925 178.265 176.300 0.066 0.000 0.989 471 D CA 1.049 55.191 54.000 0.238 0.000 0.827 471 D CB -0.172 40.818 40.800 0.316 0.000 0.966 471 D HN 0.243 nan 8.370 nan 0.000 0.456 472 Q N -0.035 119.751 119.800 -0.024 0.000 2.096 472 Q HA -0.142 4.197 4.340 -0.003 0.000 0.204 472 Q C 2.108 177.972 176.000 -0.227 0.000 0.982 472 Q CA 1.125 56.875 55.803 -0.090 0.000 0.850 472 Q CB -0.001 28.708 28.738 -0.048 0.000 0.901 472 Q HN 0.308 nan 8.270 nan 0.000 0.422 473 L N -1.604 119.316 121.223 -0.506 0.000 2.298 473 L HA -0.007 4.332 4.340 -0.003 0.000 0.209 473 L C 0.954 177.452 176.870 -0.620 0.000 1.084 473 L CA 0.427 54.799 54.840 -0.780 0.000 0.816 473 L CB 0.153 41.317 42.059 -1.491 0.000 0.967 473 L HN 0.230 nan 8.230 nan 0.000 0.460 474 Y N -0.515 119.805 120.300 0.033 0.000 2.563 474 Y HA 0.434 4.982 4.550 -0.003 0.000 0.250 474 Y C 1.163 177.288 175.900 0.375 0.000 1.126 474 Y CA -1.154 57.052 58.100 0.177 0.000 1.231 474 Y CB -0.242 38.300 38.460 0.136 0.000 1.288 474 Y HN -0.095 nan 8.280 nan 0.000 0.537 475 A N 1.028 124.035 122.820 0.311 0.000 2.537 475 A HA 0.119 4.437 4.320 -0.003 0.000 0.260 475 A C -0.979 176.744 177.584 0.231 0.000 1.082 475 A CA 0.390 52.542 52.037 0.191 0.000 0.765 475 A CB -0.712 18.357 19.000 0.116 0.000 1.019 475 A HN 0.363 nan 8.150 nan 0.000 0.507 476 Y N 2.299 122.611 120.300 0.020 0.000 2.377 476 Y HA 0.449 4.997 4.550 -0.003 0.000 0.339 476 Y C 0.944 176.835 175.900 -0.015 0.000 1.011 476 Y CA -0.596 57.529 58.100 0.041 0.000 1.093 476 Y CB 2.153 40.681 38.460 0.114 0.000 1.201 476 Y HN 0.541 nan 8.280 nan 0.000 0.455 477 S N 2.327 117.716 115.700 -0.518 0.000 2.502 477 S HA 0.217 4.686 4.470 -0.003 0.000 0.215 477 S C 0.759 175.008 174.600 -0.586 0.000 1.009 477 S CA 0.245 58.197 58.200 -0.414 0.000 0.908 477 S CB 0.185 63.243 63.200 -0.236 0.000 0.801 477 S HN 0.913 nan 8.310 nan 0.000 0.505 478 G N 2.003 110.039 108.800 -1.273 0.000 2.621 478 G HA2 0.309 4.268 3.960 -0.003 0.000 0.271 478 G HA3 0.309 4.268 3.960 -0.003 0.000 0.271 478 G C -0.166 174.555 174.900 -0.298 0.000 1.236 478 G CA -0.538 44.114 45.100 -0.745 0.000 0.958 478 G HN 0.263 nan 8.290 nan 0.000 0.512 479 N N -1.130 117.532 118.700 -0.064 0.000 2.412 479 N HA 0.120 4.858 4.740 -0.003 0.000 0.254 479 N C -0.319 175.196 175.510 0.008 0.000 1.232 479 N CA 0.336 53.381 53.050 -0.009 0.000 0.880 479 N CB 0.123 38.622 38.487 0.020 0.000 1.076 479 N HN 0.311 nan 8.380 nan 0.000 0.458 480 L N 1.705 122.813 121.223 -0.192 0.000 2.323 480 L HA 0.754 5.093 4.340 -0.003 0.000 0.265 480 L C 0.980 177.669 176.870 -0.301 0.000 1.012 480 L CA -0.549 54.072 54.840 -0.365 0.000 0.820 480 L CB 1.751 43.255 42.059 -0.925 0.000 1.334 480 L HN 0.826 nan 8.230 nan 0.000 0.427 481 G N 1.097 109.821 108.800 -0.126 0.000 2.548 481 G HA2 0.147 4.106 3.960 -0.003 0.000 0.208 481 G HA3 0.147 4.106 3.960 -0.003 0.000 0.208 481 G C -1.084 173.874 174.900 0.098 0.000 1.308 481 G CA -0.258 44.879 45.100 0.061 0.000 0.924 481 G HN 1.020 nan 8.290 nan 0.000 0.540 482 A N -1.062 121.839 122.820 0.135 0.000 2.318 482 A HA 0.792 5.110 4.320 -0.003 0.000 0.317 482 A C -0.338 177.314 177.584 0.113 0.000 1.159 482 A CA -0.095 52.011 52.037 0.115 0.000 0.799 482 A CB 1.829 20.900 19.000 0.119 0.000 1.194 482 A HN 1.880 nan 8.150 nan 0.000 0.479 483 V N 3.981 123.929 119.914 0.057 0.000 2.407 483 V HA 0.317 4.436 4.120 -0.003 0.000 0.291 483 V C -0.553 175.549 176.094 0.013 0.000 1.018 483 V CA -0.523 61.807 62.300 0.049 0.000 0.842 483 V CB 1.117 32.960 31.823 0.032 0.000 0.996 483 V HN 0.780 nan 8.190 nan 0.000 0.426 484 L N 5.483 126.731 121.223 0.042 0.000 2.397 484 L HA 0.365 4.704 4.340 -0.003 0.000 0.271 484 L C 0.757 177.633 176.870 0.010 0.000 1.148 484 L CA 0.285 55.132 54.840 0.012 0.000 0.825 484 L CB 0.610 42.706 42.059 0.063 0.000 1.117 484 L HN 0.866 nan 8.230 nan 0.000 0.456 485 N N 1.756 120.452 118.700 -0.008 0.000 2.327 485 N HA 0.003 4.741 4.740 -0.003 0.000 0.257 485 N C 0.588 176.107 175.510 0.015 0.000 1.281 485 N CA -0.397 52.653 53.050 0.001 0.000 0.942 485 N CB 0.108 38.589 38.487 -0.009 0.000 1.199 485 N HN 0.670 nan 8.380 nan 0.000 0.532 486 Q N -0.888 118.920 119.800 0.013 0.000 2.096 486 Q HA -0.212 4.126 4.340 -0.003 0.000 0.204 486 Q C 0.103 176.114 176.000 0.019 0.000 0.982 486 Q CA 2.147 57.960 55.803 0.017 0.000 0.850 486 Q CB -0.147 28.598 28.738 0.011 0.000 0.901 486 Q HN 0.817 nan 8.270 nan 0.000 0.422 487 D N -2.077 118.332 120.400 0.016 0.000 2.363 487 D HA 0.117 4.755 4.640 -0.003 0.000 0.214 487 D C 0.927 177.242 176.300 0.026 0.000 1.093 487 D CA 0.588 54.598 54.000 0.018 0.000 0.837 487 D CB 0.132 40.938 40.800 0.010 0.000 0.948 487 D HN 0.440 nan 8.370 nan 0.000 0.507 488 G N 0.700 109.521 108.800 0.035 0.000 2.166 488 G HA2 -0.386 3.572 3.960 -0.003 0.000 0.260 488 G HA3 -0.386 3.572 3.960 -0.003 0.000 0.260 488 G C 1.177 176.126 174.900 0.081 0.000 0.986 488 G CA 1.014 46.149 45.100 0.057 0.000 0.683 488 G HN 0.647 nan 8.290 nan 0.000 0.527 489 S N -1.262 114.470 115.700 0.052 0.000 2.436 489 S HA 0.265 4.733 4.470 -0.003 0.000 0.228 489 S C 1.000 175.666 174.600 0.109 0.000 1.014 489 S CA 1.277 59.515 58.200 0.063 0.000 0.950 489 S CB 0.441 63.652 63.200 0.019 0.000 0.784 489 S HN 0.627 nan 8.310 nan 0.000 0.504 490 K N 0.150 120.560 120.400 0.017 0.000 2.444 490 K HA 0.736 5.054 4.320 -0.003 0.000 0.252 490 K C -1.696 174.760 176.600 -0.240 0.000 0.993 490 K CA -0.857 55.365 56.287 -0.108 0.000 0.847 490 K CB 2.554 35.002 32.500 -0.087 0.000 1.340 490 K HN -0.032 nan 8.250 nan 0.000 0.446 491 V N 1.780 121.443 119.914 -0.418 0.000 2.638 491 V HA 0.228 4.347 4.120 -0.003 0.000 0.306 491 V C -1.219 174.723 176.094 -0.253 0.000 1.052 491 V CA -0.911 61.157 62.300 -0.387 0.000 0.885 491 V CB 1.951 33.349 31.823 -0.708 0.000 0.999 491 V HN 0.671 nan 8.190 nan 0.000 0.424 492 E N 3.056 123.175 120.200 -0.135 0.000 2.081 492 E HA 0.692 5.040 4.350 -0.003 0.000 0.281 492 E C -0.189 176.386 176.600 -0.041 0.000 0.986 492 E CA 0.005 56.359 56.400 -0.077 0.000 0.796 492 E CB 1.632 31.310 29.700 -0.036 0.000 1.085 492 E HN 0.875 nan 8.360 nan 0.000 0.398 493 A N 2.613 125.416 122.820 -0.027 0.000 2.318 493 A HA 0.716 5.034 4.320 -0.003 0.000 0.317 493 A C -0.497 177.128 177.584 0.069 0.000 1.159 493 A CA -0.682 51.378 52.037 0.038 0.000 0.799 493 A CB 1.133 20.162 19.000 0.047 0.000 1.194 493 A HN 0.465 nan 8.150 nan 0.000 0.479 494 S N 0.768 116.511 115.700 0.073 0.000 2.513 494 S HA 0.765 5.234 4.470 -0.003 0.000 0.299 494 S C -1.135 173.474 174.600 0.015 0.000 1.087 494 S CA -0.442 57.778 58.200 0.033 0.000 1.012 494 S CB 1.506 64.720 63.200 0.022 0.000 1.044 494 S HN 0.910 nan 8.310 nan 0.000 0.485 495 L N 2.140 123.345 121.223 -0.030 0.000 2.464 495 L HA 0.631 4.970 4.340 -0.003 0.000 0.266 495 L C -2.037 174.902 176.870 0.116 0.000 0.965 495 L CA -0.296 54.513 54.840 -0.053 0.000 0.833 495 L CB 1.426 43.205 42.059 -0.466 0.000 1.296 495 L HN 0.836 nan 8.230 nan 0.000 0.405 496 W N 5.176 126.483 121.300 0.011 0.000 2.332 496 W HA 0.627 5.286 4.660 -0.003 0.000 0.306 496 W C -0.235 176.341 176.519 0.095 0.000 1.149 496 W CA -0.003 57.364 57.345 0.036 0.000 1.271 496 W CB 1.288 30.793 29.460 0.075 0.000 1.243 496 W HN 0.581 nan 8.180 nan 0.000 0.459 497 S N 8.282 123.759 115.700 -0.373 0.000 2.548 497 S HA 0.180 4.649 4.470 -0.003 0.000 0.168 497 S C -1.627 172.710 174.600 -0.438 0.000 1.068 497 S CA -0.851 57.122 58.200 -0.378 0.000 1.129 497 S CB 0.672 63.806 63.200 -0.111 0.000 1.435 497 S HN 0.423 nan 8.310 nan 0.000 0.410 498 P HA -0.021 nan 4.420 nan 0.000 0.223 498 P C 0.944 177.853 177.300 -0.652 0.000 1.151 498 P CA 0.773 63.236 63.100 -1.062 0.000 0.787 498 P CB -0.094 30.470 31.700 -1.894 0.000 0.788 499 S N -1.914 113.543 115.700 -0.406 0.000 2.582 499 S HA 0.469 4.937 4.470 -0.003 0.000 0.234 499 S C 0.909 175.467 174.600 -0.071 0.000 0.961 499 S CA -0.590 57.498 58.200 -0.186 0.000 0.953 499 S CB -0.517 62.637 63.200 -0.076 0.000 0.800 499 S HN 0.126 nan 8.310 nan 0.000 0.471 500 A N 1.425 124.242 122.820 -0.005 0.000 2.388 500 A HA 0.416 4.734 4.320 -0.003 0.000 0.257 500 A C 0.763 178.412 177.584 0.109 0.000 1.095 500 A CA -0.411 51.623 52.037 -0.005 0.000 0.791 500 A CB 0.226 19.103 19.000 -0.205 0.000 1.029 500 A HN 0.257 nan 8.150 nan 0.000 0.489 501 D N 0.269 120.666 120.400 -0.004 0.000 2.137 501 D HA 0.033 4.671 4.640 -0.003 0.000 0.202 501 D C 0.853 177.187 176.300 0.058 0.000 0.970 501 D CA 1.981 56.003 54.000 0.036 0.000 0.837 501 D CB 0.075 40.866 40.800 -0.014 0.000 0.981 501 D HN 0.673 nan 8.370 nan 0.000 0.475 502 S N -1.230 114.348 115.700 -0.203 0.000 2.570 502 S HA 0.593 5.061 4.470 -0.003 0.000 0.270 502 S C -1.191 172.919 174.600 -0.818 0.000 1.149 502 S CA -0.895 57.059 58.200 -0.411 0.000 0.837 502 S CB 2.389 65.495 63.200 -0.157 0.000 1.124 502 S HN -0.180 nan 8.310 nan 0.000 0.465 503 V N 1.923 121.252 119.914 -0.974 0.000 2.488 503 V HA 0.539 4.657 4.120 -0.003 0.000 0.293 503 V C -0.631 175.298 176.094 -0.275 0.000 1.027 503 V CA -0.335 61.501 62.300 -0.773 0.000 0.862 503 V CB 1.606 32.631 31.823 -1.330 0.000 1.008 503 V HN 1.054 nan 8.190 nan 0.000 0.428 504 T N 6.007 120.497 114.554 -0.106 0.000 2.794 504 T HA 0.518 4.867 4.350 -0.003 0.000 0.280 504 T C -0.131 174.646 174.700 0.129 0.000 0.987 504 T CA -0.305 61.802 62.100 0.012 0.000 0.993 504 T CB 1.473 70.333 68.868 -0.015 0.000 0.939 504 T HN 0.639 nan 8.240 nan 0.000 0.449 505 M N 4.342 124.025 119.600 0.139 0.000 2.211 505 M HA 0.490 4.968 4.480 -0.003 0.000 0.356 505 M C -1.302 174.992 176.300 -0.009 0.000 1.216 505 M CA -0.306 55.017 55.300 0.038 0.000 1.134 505 M CB 0.247 32.844 32.600 -0.004 0.000 1.564 505 M HN 0.555 nan 8.290 nan 0.000 0.463 506 I N 6.169 126.721 120.570 -0.029 0.000 2.378 506 I HA 0.399 4.567 4.170 -0.003 0.000 0.291 506 I C -0.747 175.283 176.117 -0.146 0.000 0.992 506 I CA -0.605 60.620 61.300 -0.125 0.000 1.154 506 I CB 1.624 39.539 38.000 -0.142 0.000 1.315 506 I HN 0.668 nan 8.210 nan 0.000 0.448 507 I N 6.230 126.677 120.570 -0.205 0.000 2.404 507 I HA 0.400 4.569 4.170 -0.003 0.000 0.293 507 I C -1.012 175.043 176.117 -0.103 0.000 0.992 507 I CA -0.664 60.657 61.300 0.035 0.000 1.149 507 I CB 1.446 39.554 38.000 0.180 0.000 1.315 507 I HN 0.422 nan 8.210 nan 0.000 0.446 508 Y N 2.422 122.904 120.300 0.305 0.000 2.524 508 Y HA 0.297 4.846 4.550 -0.003 0.000 0.344 508 Y C 0.192 176.316 175.900 0.373 0.000 1.012 508 Y CA -1.051 57.219 58.100 0.284 0.000 1.068 508 Y CB 1.103 39.699 38.460 0.226 0.000 1.249 508 Y HN 0.439 nan 8.280 nan 0.000 0.468 509 D N 2.055 122.707 120.400 0.422 0.000 2.458 509 D HA -0.025 4.614 4.640 -0.003 0.000 0.243 509 D C 0.833 177.163 176.300 0.050 0.000 1.146 509 D CA 0.077 54.215 54.000 0.230 0.000 0.877 509 D CB 1.091 41.990 40.800 0.164 0.000 1.176 509 D HN 0.767 nan 8.370 nan 0.000 0.461 510 K N 2.638 122.718 120.400 -0.535 0.000 2.103 510 K HA -0.164 4.155 4.320 -0.003 0.000 0.207 510 K C 0.426 176.961 176.600 -0.110 0.000 1.048 510 K CA 1.141 57.103 56.287 -0.542 0.000 0.930 510 K CB 0.149 32.105 32.500 -0.908 0.000 0.716 510 K HN 0.219 nan 8.250 nan 0.000 0.444 511 D N 0.398 120.733 120.400 -0.107 0.000 2.339 511 D HA 0.025 4.663 4.640 -0.003 0.000 0.217 511 D C -0.467 175.853 176.300 0.034 0.000 1.050 511 D CA 0.389 54.377 54.000 -0.019 0.000 0.856 511 D CB 0.183 40.960 40.800 -0.038 0.000 0.922 511 D HN 0.231 nan 8.370 nan 0.000 0.518 512 N N 0.742 119.487 118.700 0.076 0.000 3.049 512 N HA -0.056 4.682 4.740 -0.003 0.000 0.241 512 N C 0.582 176.170 175.510 0.130 0.000 1.323 512 N CA -0.115 52.982 53.050 0.078 0.000 0.824 512 N CB 0.750 39.272 38.487 0.058 0.000 1.557 512 N HN -0.141 nan 8.380 nan 0.000 0.612 513 Q N 1.555 121.407 119.800 0.086 0.000 2.364 513 Q HA -0.009 4.330 4.340 -0.003 0.000 0.207 513 Q C 0.134 176.164 176.000 0.050 0.000 0.970 513 Q CA 1.390 57.227 55.803 0.056 0.000 0.888 513 Q CB -0.240 28.326 28.738 -0.287 0.000 0.951 513 Q HN 0.573 nan 8.270 nan 0.000 0.469 514 N N 0.339 119.071 118.700 0.052 0.000 2.354 514 N HA -0.030 4.708 4.740 -0.003 0.000 0.179 514 N C 0.186 175.818 175.510 0.203 0.000 1.021 514 N CA -0.027 53.071 53.050 0.081 0.000 0.887 514 N CB 0.149 38.656 38.487 0.032 0.000 0.974 514 N HN 0.103 nan 8.380 nan 0.000 0.437 515 R N 1.782 122.403 120.500 0.201 0.000 2.267 515 R HA 0.181 4.519 4.340 -0.003 0.000 0.319 515 R C -0.933 175.500 176.300 0.221 0.000 1.067 515 R CA -0.206 56.001 56.100 0.179 0.000 0.936 515 R CB 0.543 30.919 30.300 0.126 0.000 1.006 515 R HN -0.095 nan 8.270 nan 0.000 0.452 516 V N 6.068 126.051 119.914 0.116 0.000 2.470 516 V HA -0.011 4.107 4.120 -0.003 0.000 0.276 516 V C 1.085 177.160 176.094 -0.031 0.000 1.040 516 V CA 0.105 62.355 62.300 -0.083 0.000 1.008 516 V CB 1.413 33.150 31.823 -0.144 0.000 0.990 516 V HN 0.716 nan 8.190 nan 0.000 0.477 517 V N 4.232 124.131 119.914 -0.026 0.000 2.795 517 V HA 0.495 4.613 4.120 -0.003 0.000 0.243 517 V C 0.741 176.819 176.094 -0.027 0.000 1.069 517 V CA 1.390 63.704 62.300 0.024 0.000 1.089 517 V CB 0.707 32.603 31.823 0.122 0.000 0.756 517 V HN 0.978 nan 8.190 nan 0.000 0.471 518 A N -0.736 122.049 122.820 -0.059 0.000 2.566 518 A HA 0.709 5.027 4.320 -0.003 0.000 0.290 518 A C -0.491 177.053 177.584 -0.067 0.000 1.071 518 A CA 0.255 52.261 52.037 -0.051 0.000 0.658 518 A CB 1.487 20.469 19.000 -0.030 0.000 1.285 518 A HN 0.254 nan 8.150 nan 0.000 0.427 519 T N -1.683 112.844 114.554 -0.045 0.000 2.883 519 T HA 0.875 5.223 4.350 -0.003 0.000 0.301 519 T C -0.802 173.888 174.700 -0.017 0.000 1.158 519 T CA -0.330 61.747 62.100 -0.038 0.000 1.007 519 T CB 1.869 70.710 68.868 -0.045 0.000 1.186 519 T HN 1.336 nan 8.240 nan 0.000 0.499 520 T N 2.605 117.157 114.554 -0.004 0.000 3.041 520 T HA 0.604 4.952 4.350 -0.003 0.000 0.321 520 T C -3.135 171.580 174.700 0.025 0.000 1.184 520 T CA -1.028 61.076 62.100 0.006 0.000 1.050 520 T CB 2.014 70.881 68.868 -0.002 0.000 1.159 520 T HN 0.675 nan 8.240 nan 0.000 0.469 521 P HA 0.437 nan 4.420 nan 0.000 0.278 521 P C -0.727 176.622 177.300 0.082 0.000 1.238 521 P CA -0.589 62.536 63.100 0.042 0.000 0.794 521 P CB 0.900 32.622 31.700 0.037 0.000 0.955 522 L N 1.683 122.986 121.223 0.134 0.000 2.352 522 L HA 0.512 4.850 4.340 -0.003 0.000 0.269 522 L C 0.108 177.184 176.870 0.344 0.000 1.034 522 L CA -1.344 53.629 54.840 0.222 0.000 0.806 522 L CB 1.675 43.897 42.059 0.270 0.000 1.244 522 L HN 0.086 nan 8.230 nan 0.000 0.447 523 V N 1.641 121.673 119.914 0.196 0.000 2.370 523 V HA 0.243 4.362 4.120 -0.003 0.000 0.283 523 V C 0.184 176.164 176.094 -0.190 0.000 1.023 523 V CA -0.781 61.544 62.300 0.042 0.000 0.857 523 V CB 1.488 33.298 31.823 -0.022 0.000 0.985 523 V HN 0.630 nan 8.190 nan 0.000 0.443 524 K N 4.883 124.922 120.400 -0.601 0.000 2.276 524 K HA 0.220 4.538 4.320 -0.003 0.000 0.283 524 K C 0.418 176.664 176.600 -0.590 0.000 1.044 524 K CA -0.439 55.190 56.287 -1.097 0.000 0.944 524 K CB 0.599 32.011 32.500 -1.814 0.000 1.012 524 K HN 0.894 nan 8.250 nan 0.000 0.472 525 N N 2.496 120.894 118.700 -0.503 0.000 2.443 525 N HA -0.064 4.674 4.740 -0.003 0.000 0.294 525 N C 0.587 175.934 175.510 -0.272 0.000 1.289 525 N CA -0.111 52.752 53.050 -0.312 0.000 0.966 525 N CB -0.106 38.229 38.487 -0.254 0.000 1.122 525 N HN 0.667 nan 8.380 nan 0.000 0.569 526 N N -0.799 117.807 118.700 -0.157 0.000 2.166 526 N HA -0.106 4.632 4.740 -0.003 0.000 0.186 526 N C 0.391 175.877 175.510 -0.040 0.000 1.019 526 N CA 1.281 54.278 53.050 -0.089 0.000 0.856 526 N CB 0.036 38.501 38.487 -0.038 0.000 0.993 526 N HN 0.388 nan 8.380 nan 0.000 0.426 527 K N -0.355 120.023 120.400 -0.038 0.000 2.469 527 K HA 0.233 4.551 4.320 -0.003 0.000 0.201 527 K C 0.562 177.159 176.600 -0.005 0.000 1.028 527 K CA 0.434 56.783 56.287 0.103 0.000 1.170 527 K CB -0.055 32.558 32.500 0.190 0.000 0.874 527 K HN 0.351 nan 8.250 nan 0.000 0.507 528 G N 1.007 109.627 108.800 -0.300 0.000 2.143 528 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.248 528 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.248 528 G C 0.079 174.570 174.900 -0.682 0.000 0.991 528 G CA 0.132 44.847 45.100 -0.642 0.000 0.689 528 G HN 0.138 nan 8.290 nan 0.000 0.522 529 V N 0.139 119.723 119.914 -0.551 0.000 2.432 529 V HA 0.567 4.685 4.120 -0.003 0.000 0.275 529 V C 0.324 176.136 176.094 -0.470 0.000 1.043 529 V CA -0.588 61.445 62.300 -0.444 0.000 0.925 529 V CB 0.718 32.156 31.823 -0.642 0.000 0.985 529 V HN 0.293 nan 8.190 nan 0.000 0.466 530 W N 3.949 125.095 121.300 -0.258 0.000 2.338 530 W HA 0.635 5.293 4.660 -0.003 0.000 0.307 530 W C 0.252 176.674 176.519 -0.162 0.000 1.167 530 W CA -0.251 56.969 57.345 -0.208 0.000 1.208 530 W CB 0.694 30.015 29.460 -0.232 0.000 1.228 530 W HN 0.498 nan 8.180 nan 0.000 0.499 531 Q N 1.668 121.508 119.800 0.066 0.000 2.433 531 Q HA 0.805 5.143 4.340 -0.003 0.000 0.279 531 Q C -0.623 175.407 176.000 0.050 0.000 1.105 531 Q CA -1.063 54.758 55.803 0.030 0.000 0.815 531 Q CB 2.937 31.656 28.738 -0.031 0.000 1.403 531 Q HN 0.341 nan 8.270 nan 0.000 0.435 532 T N 0.251 114.820 114.554 0.026 0.000 2.830 532 T HA 0.552 4.900 4.350 -0.003 0.000 0.322 532 T C -1.881 172.790 174.700 -0.048 0.000 1.501 532 T CA -0.473 61.628 62.100 0.001 0.000 1.036 532 T CB 0.931 69.811 68.868 0.019 0.000 1.379 532 T HN 0.470 nan 8.240 nan 0.000 0.493 533 I N 3.766 124.293 120.570 -0.072 0.000 2.411 533 I HA 0.407 4.576 4.170 -0.003 0.000 0.284 533 I C -0.268 175.748 176.117 -0.168 0.000 1.012 533 I CA -0.756 60.473 61.300 -0.117 0.000 1.119 533 I CB 1.446 39.395 38.000 -0.084 0.000 1.261 533 I HN 0.418 nan 8.210 nan 0.000 0.448 534 L N 6.763 127.801 121.223 -0.308 0.000 2.367 534 L HA 0.352 4.690 4.340 -0.003 0.000 0.275 534 L C -0.363 176.303 176.870 -0.340 0.000 1.129 534 L CA 0.043 54.610 54.840 -0.455 0.000 0.839 534 L CB 0.372 41.815 42.059 -1.027 0.000 1.133 534 L HN 0.679 nan 8.230 nan 0.000 0.453 535 D N -0.894 119.457 120.400 -0.083 0.000 3.103 535 D HA 0.084 4.722 4.640 -0.003 0.000 0.337 535 D C 0.780 177.143 176.300 0.104 0.000 1.356 535 D CA 0.045 54.078 54.000 0.056 0.000 0.951 535 D CB 0.144 40.934 40.800 -0.016 0.000 1.438 535 D HN 0.401 nan 8.370 nan 0.000 0.562 536 T N -1.489 113.088 114.554 0.037 0.000 2.760 536 T HA -0.247 4.101 4.350 -0.003 0.000 0.269 536 T C 1.401 176.094 174.700 -0.011 0.000 1.047 536 T CA 1.625 63.722 62.100 -0.004 0.000 1.139 536 T CB -0.533 68.325 68.868 -0.016 0.000 0.855 536 T HN 0.427 nan 8.240 nan 0.000 0.471 537 K N 0.996 121.395 120.400 -0.003 0.000 2.218 537 K HA 0.020 4.339 4.320 -0.003 0.000 0.205 537 K C 1.959 178.552 176.600 -0.012 0.000 1.046 537 K CA 1.145 57.426 56.287 -0.010 0.000 0.933 537 K CB -0.415 32.078 32.500 -0.011 0.000 0.728 537 K HN 0.442 nan 8.250 nan 0.000 0.454 538 L N -0.384 120.842 121.223 0.004 0.000 2.591 538 L HA 0.103 4.441 4.340 -0.003 0.000 0.228 538 L C 1.159 177.993 176.870 -0.061 0.000 1.133 538 L CA 0.321 55.156 54.840 -0.008 0.000 0.880 538 L CB -0.056 42.031 42.059 0.047 0.000 1.033 538 L HN 0.419 nan 8.230 nan 0.000 0.450 539 G N 1.052 109.805 108.800 -0.078 0.000 2.159 539 G HA2 -0.277 3.681 3.960 -0.003 0.000 0.256 539 G HA3 -0.277 3.681 3.960 -0.003 0.000 0.256 539 G C 0.139 174.923 174.900 -0.193 0.000 0.977 539 G CA -0.099 44.935 45.100 -0.109 0.000 0.652 539 G HN 0.312 nan 8.290 nan 0.000 0.531 540 I N 0.498 120.873 120.570 -0.326 0.000 2.378 540 I HA 0.358 4.526 4.170 -0.003 0.000 0.291 540 I C 1.261 177.051 176.117 -0.544 0.000 0.992 540 I CA -0.507 60.447 61.300 -0.577 0.000 1.154 540 I CB 1.769 39.098 38.000 -1.119 0.000 1.315 540 I HN 0.225 nan 8.210 nan 0.000 0.448 541 K N 3.440 123.625 120.400 -0.360 0.000 2.323 541 K HA 0.151 4.469 4.320 -0.003 0.000 0.197 541 K C 0.421 176.900 176.600 -0.201 0.000 1.043 541 K CA 0.476 56.633 56.287 -0.216 0.000 0.997 541 K CB 0.373 32.803 32.500 -0.117 0.000 0.807 541 K HN 0.456 nan 8.250 nan 0.000 0.497 542 N N -0.015 118.525 118.700 -0.266 0.000 2.480 542 N HA 0.144 4.883 4.740 -0.003 0.000 0.289 542 N C -1.171 174.233 175.510 -0.176 0.000 1.073 542 N CA -0.643 52.329 53.050 -0.131 0.000 0.885 542 N CB 1.114 39.590 38.487 -0.019 0.000 1.421 542 N HN 0.061 nan 8.380 nan 0.000 0.503 543 Y N 0.351 120.604 120.300 -0.078 0.000 2.482 543 Y HA 0.027 4.575 4.550 -0.003 0.000 0.270 543 Y C 1.301 177.322 175.900 0.201 0.000 1.152 543 Y CA 0.163 58.204 58.100 -0.098 0.000 1.292 543 Y CB 0.139 38.300 38.460 -0.499 0.000 1.070 543 Y HN 0.426 nan 8.280 nan 0.000 0.528 544 T N -1.718 112.998 114.554 0.270 0.000 2.908 544 T HA 0.315 4.664 4.350 -0.003 0.000 0.301 544 T C 1.533 176.348 174.700 0.192 0.000 1.019 544 T CA 0.481 62.720 62.100 0.233 0.000 1.152 544 T CB 0.866 69.814 68.868 0.134 0.000 0.966 544 T HN 0.647 nan 8.240 nan 0.000 0.540 545 G N 1.613 110.487 108.800 0.124 0.000 2.234 545 G HA2 -0.267 3.692 3.960 -0.003 0.000 0.260 545 G HA3 -0.267 3.692 3.960 -0.003 0.000 0.260 545 G C 0.000 174.623 174.900 -0.463 0.000 0.987 545 G CA 0.152 45.171 45.100 -0.135 0.000 0.625 545 G HN 0.861 nan 8.290 nan 0.000 0.532 546 Y N 0.086 120.332 120.300 -0.089 0.000 2.379 546 Y HA 0.546 5.094 4.550 -0.003 0.000 0.337 546 Y C 0.998 176.775 175.900 -0.204 0.000 1.238 546 Y CA 0.069 58.127 58.100 -0.069 0.000 1.405 546 Y CB 0.410 39.069 38.460 0.332 0.000 1.310 546 Y HN 0.230 nan 8.280 nan 0.000 0.569 547 Y N 1.053 121.572 120.300 0.366 0.000 2.528 547 Y HA 0.524 5.073 4.550 -0.003 0.000 0.335 547 Y C -0.773 175.299 175.900 0.286 0.000 1.093 547 Y CA -1.229 56.953 58.100 0.136 0.000 1.134 547 Y CB 1.472 39.950 38.460 0.030 0.000 1.253 547 Y HN 0.502 nan 8.280 nan 0.000 0.478 548 Y N -0.997 119.335 120.300 0.054 0.000 2.597 548 Y HA 0.851 5.400 4.550 -0.003 0.000 0.340 548 Y C -2.161 173.721 175.900 -0.030 0.000 1.097 548 Y CA -1.549 56.575 58.100 0.040 0.000 1.037 548 Y CB 1.288 39.606 38.460 -0.237 0.000 1.305 548 Y HN 0.485 nan 8.280 nan 0.000 0.463 549 L N 1.666 122.970 121.223 0.135 0.000 2.341 549 L HA 0.531 4.869 4.340 -0.003 0.000 0.254 549 L C -1.667 175.153 176.870 -0.085 0.000 1.040 549 L CA -1.255 53.574 54.840 -0.019 0.000 0.837 549 L CB 2.750 44.880 42.059 0.119 0.000 1.425 549 L HN 0.692 nan 8.230 nan 0.000 0.414 550 Y N 0.457 120.812 120.300 0.092 0.000 2.328 550 Y HA 0.298 4.846 4.550 -0.003 0.000 0.333 550 Y C -0.021 175.871 175.900 -0.012 0.000 0.958 550 Y CA -0.625 57.501 58.100 0.042 0.000 1.167 550 Y CB 1.682 40.153 38.460 0.018 0.000 1.151 550 Y HN 0.399 nan 8.280 nan 0.000 0.470 551 E N 4.354 124.628 120.200 0.123 0.000 2.229 551 E HA 0.477 4.825 4.350 -0.003 0.000 0.283 551 E C -1.127 175.446 176.600 -0.044 0.000 1.030 551 E CA -0.202 56.217 56.400 0.031 0.000 0.836 551 E CB 0.653 30.359 29.700 0.011 0.000 1.068 551 E HN 0.590 nan 8.360 nan 0.000 0.401 552 I N 4.781 125.306 120.570 -0.075 0.000 2.418 552 I HA 0.268 4.436 4.170 -0.003 0.000 0.287 552 I C -0.174 175.868 176.117 -0.125 0.000 1.008 552 I CA -0.755 60.445 61.300 -0.166 0.000 1.104 552 I CB 1.739 39.644 38.000 -0.158 0.000 1.264 552 I HN 0.345 nan 8.210 nan 0.000 0.438 553 K N 6.875 127.181 120.400 -0.156 0.000 2.156 553 K HA 0.587 4.905 4.320 -0.003 0.000 0.271 553 K C -0.760 175.792 176.600 -0.081 0.000 0.995 553 K CA -0.633 55.596 56.287 -0.097 0.000 0.890 553 K CB 1.095 33.542 32.500 -0.088 0.000 1.073 553 K HN 0.583 nan 8.250 nan 0.000 0.454 554 R N 2.469 122.944 120.500 -0.042 0.000 2.569 554 R HA 0.274 4.612 4.340 -0.003 0.000 0.293 554 R C -0.832 175.465 176.300 -0.005 0.000 1.186 554 R CA -0.192 55.895 56.100 -0.021 0.000 0.956 554 R CB 1.673 31.969 30.300 -0.007 0.000 1.196 554 R HN 1.017 nan 8.270 nan 0.000 0.444 558 K N 0.776 121.167 120.400 -0.015 0.000 2.297 558 K HA 0.593 4.912 4.320 -0.003 0.000 0.286 558 K C -0.499 176.092 176.600 -0.014 0.000 1.053 558 K CA -0.509 55.766 56.287 -0.021 0.000 0.940 558 K CB 1.948 34.438 32.500 -0.017 0.000 1.019 558 K HN 0.145 nan 8.250 nan 0.000 0.475 559 V N 3.684 123.589 119.914 -0.016 0.000 2.760 559 V HA 0.296 4.414 4.120 -0.003 0.000 0.309 559 V C -1.427 174.666 176.094 -0.001 0.000 1.077 559 V CA -0.892 61.401 62.300 -0.012 0.000 0.910 559 V CB 1.818 33.637 31.823 -0.006 0.000 1.008 559 V HN 0.662 nan 8.190 nan 0.000 0.424 560 K N 6.292 126.691 120.400 -0.001 0.000 2.183 560 K HA 0.675 4.993 4.320 -0.003 0.000 0.274 560 K C -0.734 175.874 176.600 0.012 0.000 1.009 560 K CA -0.384 55.917 56.287 0.022 0.000 0.888 560 K CB 1.648 34.167 32.500 0.032 0.000 1.078 560 K HN 0.676 nan 8.250 nan 0.000 0.459 561 I N -0.604 119.992 120.570 0.044 0.000 3.042 561 I HA 0.460 4.629 4.170 -0.003 0.000 0.310 561 I C -1.406 174.715 176.117 0.007 0.000 1.117 561 I CA -1.337 59.980 61.300 0.028 0.000 1.003 561 I CB 1.199 39.225 38.000 0.044 0.000 1.228 561 I HN 0.332 nan 8.210 nan 0.000 0.443 562 L N 3.121 124.302 121.223 -0.069 0.000 2.265 562 L HA 0.472 4.810 4.340 -0.003 0.000 0.289 562 L C -0.258 176.561 176.870 -0.084 0.000 1.033 562 L CA 0.082 54.833 54.840 -0.148 0.000 0.814 562 L CB 0.333 42.251 42.059 -0.236 0.000 1.203 562 L HN 0.733 nan 8.230 nan 0.000 0.423 563 D N 7.690 128.109 120.400 0.032 0.000 2.661 563 D HA -0.054 4.585 4.640 -0.003 0.000 0.244 563 D C -1.576 174.755 176.300 0.051 0.000 1.196 563 D CA -0.895 53.217 54.000 0.187 0.000 0.881 563 D CB 1.160 42.169 40.800 0.348 0.000 1.141 563 D HN 0.454 nan 8.370 nan 0.000 0.530 564 P HA -0.140 nan 4.420 nan 0.000 0.226 564 P C 0.433 177.789 177.300 0.093 0.000 1.153 564 P CA 0.853 63.983 63.100 0.051 0.000 0.777 564 P CB -0.011 31.750 31.700 0.101 0.000 0.794 565 Y N 0.109 120.333 120.300 -0.126 0.000 2.532 565 Y HA 0.425 4.974 4.550 -0.003 0.000 0.283 565 Y C 1.316 177.004 175.900 -0.353 0.000 1.181 565 Y CA -1.041 56.710 58.100 -0.581 0.000 1.256 565 Y CB -0.910 37.215 38.460 -0.557 0.000 1.112 565 Y HN -0.108 nan 8.280 nan 0.000 0.521 566 A N 0.787 123.595 122.820 -0.020 0.000 2.566 566 A HA 0.027 4.346 4.320 -0.003 0.000 0.245 566 A C 1.322 178.913 177.584 0.012 0.000 1.056 566 A CA 0.092 52.123 52.037 -0.010 0.000 0.757 566 A CB 0.398 19.329 19.000 -0.116 0.000 0.979 566 A HN 0.244 nan 8.150 nan 0.000 0.508 567 K N 0.997 121.424 120.400 0.045 0.000 2.356 567 K HA 0.157 4.475 4.320 -0.003 0.000 0.195 567 K C 0.642 177.345 176.600 0.172 0.000 1.037 567 K CA 0.859 57.205 56.287 0.099 0.000 1.014 567 K CB 0.267 32.820 32.500 0.088 0.000 0.815 567 K HN 0.632 nan 8.250 nan 0.000 0.507 568 S N -0.766 115.000 115.700 0.110 0.000 2.727 568 S HA 0.711 5.179 4.470 -0.003 0.000 0.278 568 S C -1.727 172.885 174.600 0.018 0.000 1.186 568 S CA -0.791 57.468 58.200 0.098 0.000 0.836 568 S CB 0.765 64.051 63.200 0.144 0.000 1.186 568 S HN 0.011 nan 8.310 nan 0.000 0.499 569 L N 0.936 122.165 121.223 0.011 0.000 2.403 569 L HA 0.830 5.169 4.340 -0.003 0.000 0.253 569 L C 0.045 176.895 176.870 -0.033 0.000 1.045 569 L CA -1.262 53.536 54.840 -0.071 0.000 0.845 569 L CB 1.526 43.467 42.059 -0.196 0.000 1.447 569 L HN 0.777 nan 8.230 nan 0.000 0.411 570 A N 0.598 123.236 122.820 -0.304 0.000 2.406 570 A HA 0.329 4.647 4.320 -0.003 0.000 0.243 570 A C 0.118 177.531 177.584 -0.285 0.000 1.082 570 A CA -0.291 51.344 52.037 -0.670 0.000 0.786 570 A CB 0.101 18.317 19.000 -1.306 0.000 1.029 570 A HN 0.720 nan 8.150 nan 0.000 0.495 571 E N 1.864 121.933 120.200 -0.217 0.000 2.529 571 E HA -0.101 4.247 4.350 -0.003 0.000 0.259 571 E C -0.686 175.869 176.600 -0.075 0.000 0.966 571 E CA 0.309 56.636 56.400 -0.121 0.000 0.937 571 E CB 0.424 30.058 29.700 -0.111 0.000 0.923 571 E HN 0.685 nan 8.360 nan 0.000 0.468 572 W N 3.785 124.912 121.300 -0.287 0.000 2.587 572 W HA 0.331 4.989 4.660 -0.002 0.000 0.324 572 W C -1.498 174.849 176.519 -0.287 0.000 1.040 572 W CA -0.812 56.341 57.345 -0.320 0.000 1.222 572 W CB 1.779 31.018 29.460 -0.367 0.000 1.381 572 W HN 0.526 nan 8.180 nan 0.000 0.483 573 D N 2.975 122.689 120.400 -1.143 0.000 2.542 573 D HA 0.129 4.767 4.640 -0.003 0.000 0.252 573 D C 0.978 176.268 176.300 -1.682 0.000 1.222 573 D CA -0.227 53.104 54.000 -1.116 0.000 0.895 573 D CB 1.945 42.397 40.800 -0.581 0.000 1.207 573 D HN 0.329 nan 8.370 nan 0.000 0.558 574 S N 3.000 117.799 115.700 -1.503 0.000 2.469 574 S HA -0.161 4.308 4.470 -0.003 0.000 0.238 574 S C 1.361 175.688 174.600 -0.454 0.000 0.998 574 S CA 0.497 58.075 58.200 -1.036 0.000 0.957 574 S CB -0.137 62.801 63.200 -0.436 0.000 0.764 574 S HN 0.405 nan 8.310 nan 0.000 0.514 575 N N 1.855 120.325 118.700 -0.384 0.000 2.453 575 N HA -0.023 4.715 4.740 -0.003 0.000 0.183 575 N C 1.674 177.068 175.510 -0.192 0.000 1.041 575 N CA 1.449 54.382 53.050 -0.196 0.000 0.900 575 N CB -0.531 37.862 38.487 -0.156 0.000 0.961 575 N HN 0.812 nan 8.380 nan 0.000 0.443 576 T N -3.057 111.310 114.554 -0.313 0.000 3.113 576 T HA 0.119 4.468 4.350 -0.003 0.000 0.256 576 T C 0.827 175.470 174.700 -0.096 0.000 1.131 576 T CA -0.166 61.810 62.100 -0.208 0.000 1.074 576 T CB -0.344 68.373 68.868 -0.252 0.000 0.944 576 T HN -0.221 nan 8.240 nan 0.000 0.516 577 V N 4.132 124.012 119.914 -0.056 0.000 2.720 577 V HA 0.205 4.324 4.120 -0.003 0.000 0.307 577 V C 0.549 176.685 176.094 0.071 0.000 1.071 577 V CA 0.292 62.658 62.300 0.111 0.000 1.199 577 V CB -0.484 31.495 31.823 0.261 0.000 0.900 577 V HN 0.905 nan 8.190 nan 0.000 0.494 578 N N 2.646 121.384 118.700 0.063 0.000 3.439 578 N HA 0.288 5.026 4.740 -0.003 0.000 0.343 578 N C 0.452 175.972 175.510 0.016 0.000 1.597 578 N CA -0.593 52.479 53.050 0.036 0.000 0.733 578 N CB 0.422 38.920 38.487 0.019 0.000 1.973 578 N HN 0.264 nan 8.380 nan 0.000 0.646 579 D N -1.278 119.123 120.400 0.003 0.000 2.183 579 D HA -0.088 4.551 4.640 -0.003 0.000 0.203 579 D C 0.656 176.934 176.300 -0.038 0.000 0.969 579 D CA 1.014 55.002 54.000 -0.020 0.000 0.842 579 D CB -0.054 40.742 40.800 -0.007 0.000 0.957 579 D HN 0.614 nan 8.370 nan 0.000 0.484 580 D N -0.862 119.529 120.400 -0.016 0.000 2.107 580 D HA -0.018 4.620 4.640 -0.003 0.000 0.204 580 D C 0.090 176.379 176.300 -0.017 0.000 0.978 580 D CA 0.578 54.572 54.000 -0.011 0.000 0.852 580 D CB 0.262 41.069 40.800 0.012 0.000 1.008 580 D HN 0.052 nan 8.370 nan 0.000 0.458 581 I N 1.005 121.573 120.570 -0.005 0.000 2.307 581 I HA 0.235 4.403 4.170 -0.003 0.000 0.289 581 I C 0.823 176.950 176.117 0.017 0.000 1.021 581 I CA -0.006 61.288 61.300 -0.010 0.000 1.224 581 I CB 1.756 39.744 38.000 -0.020 0.000 1.376 581 I HN -0.119 nan 8.210 nan 0.000 0.470 582 K N 3.427 123.819 120.400 -0.013 0.000 2.358 582 K HA 0.200 4.519 4.320 -0.003 0.000 0.200 582 K C 0.330 177.092 176.600 0.268 0.000 1.030 582 K CA 0.120 56.437 56.287 0.050 0.000 1.097 582 K CB 0.456 32.728 32.500 -0.381 0.000 0.862 582 K HN 0.780 nan 8.250 nan 0.000 0.534 583 T N -3.161 111.429 114.554 0.060 0.000 2.812 583 T HA 0.643 4.991 4.350 -0.003 0.000 0.294 583 T C -0.481 173.826 174.700 -0.655 0.000 1.159 583 T CA -1.022 60.937 62.100 -0.235 0.000 1.008 583 T CB 1.650 70.424 68.868 -0.157 0.000 1.289 583 T HN -0.001 nan 8.240 nan 0.000 0.514 584 A N 1.181 123.269 122.820 -1.220 0.000 2.406 584 A HA 0.519 4.837 4.320 -0.003 0.000 0.243 584 A C 0.225 177.489 177.584 -0.534 0.000 1.082 584 A CA -0.400 51.066 52.037 -0.951 0.000 0.786 584 A CB -0.163 18.217 19.000 -1.034 0.000 1.029 584 A HN 0.831 nan 8.150 nan 0.000 0.495 585 K N 0.960 121.090 120.400 -0.451 0.000 2.172 585 K HA 0.520 4.838 4.320 -0.003 0.000 0.276 585 K C 0.269 176.613 176.600 -0.427 0.000 1.013 585 K CA -0.167 55.855 56.287 -0.441 0.000 0.913 585 K CB 1.625 33.840 32.500 -0.475 0.000 1.055 585 K HN 0.772 nan 8.250 nan 0.000 0.461 586 A N 1.792 124.253 122.820 -0.598 0.000 2.310 586 A HA 0.600 4.919 4.320 -0.003 0.000 0.260 586 A C -0.373 176.921 177.584 -0.483 0.000 1.112 586 A CA -0.161 51.449 52.037 -0.712 0.000 0.804 586 A CB 0.353 18.554 19.000 -1.332 0.000 1.081 586 A HN 0.774 nan 8.150 nan 0.000 0.499 587 A N -0.590 122.087 122.820 -0.237 0.000 2.455 587 A HA 0.635 4.954 4.320 -0.003 0.000 0.300 587 A C -1.160 176.444 177.584 0.033 0.000 1.040 587 A CA -0.584 51.445 52.037 -0.014 0.000 0.697 587 A CB 0.613 19.723 19.000 0.183 0.000 1.265 587 A HN 0.634 nan 8.150 nan 0.000 0.407 588 F N 2.110 122.223 119.950 0.271 0.000 2.462 588 F HA 0.447 4.972 4.527 -0.003 0.000 0.360 588 F C 0.714 176.592 175.800 0.130 0.000 1.134 588 F CA -0.037 58.076 58.000 0.188 0.000 1.148 588 F CB 0.833 39.929 39.000 0.159 0.000 1.147 588 F HN 0.490 nan 8.300 nan 0.000 0.550 589 V N 0.578 120.660 119.914 0.280 0.000 3.114 589 V HA 0.630 4.749 4.120 -0.003 0.000 0.308 589 V C -0.962 175.233 176.094 0.168 0.000 1.168 589 V CA -0.936 61.481 62.300 0.196 0.000 1.015 589 V CB 2.344 34.270 31.823 0.171 0.000 1.050 589 V HN 0.550 nan 8.190 nan 0.000 0.433 590 N N 2.104 120.882 118.700 0.130 0.000 2.746 590 N HA 0.501 5.239 4.740 -0.003 0.000 0.250 590 N C -2.078 173.482 175.510 0.083 0.000 1.146 590 N CA -2.033 51.079 53.050 0.104 0.000 0.828 590 N CB 1.757 40.292 38.487 0.080 0.000 1.158 590 N HN 0.397 nan 8.380 nan 0.000 0.519 591 P HA -0.205 nan 4.420 nan 0.000 0.216 591 P C 1.397 178.680 177.300 -0.028 0.000 1.157 591 P CA 1.647 64.775 63.100 0.047 0.000 0.880 591 P CB 0.205 31.975 31.700 0.116 0.000 0.791 592 S N -0.748 114.951 115.700 -0.002 0.000 2.400 592 S HA -0.244 4.225 4.470 -0.003 0.000 0.232 592 S C 1.831 176.412 174.600 -0.033 0.000 1.025 592 S CA 1.190 59.373 58.200 -0.029 0.000 0.993 592 S CB -1.288 61.913 63.200 0.001 0.000 0.808 592 S HN 0.304 nan 8.310 nan 0.000 0.478 593 Q N 0.446 120.241 119.800 -0.008 0.000 2.444 593 Q HA 0.345 4.684 4.340 -0.003 0.000 0.206 593 Q C -0.146 175.846 176.000 -0.013 0.000 0.948 593 Q CA 0.112 55.910 55.803 -0.007 0.000 0.946 593 Q CB -0.057 28.688 28.738 0.012 0.000 1.027 593 Q HN 0.563 nan 8.270 nan 0.000 0.513 594 L N 0.005 121.214 121.223 -0.023 0.000 2.334 594 L HA 0.552 4.890 4.340 -0.003 0.000 0.275 594 L C 0.753 177.590 176.870 -0.055 0.000 1.036 594 L CA -0.411 54.417 54.840 -0.020 0.000 0.807 594 L CB 1.308 43.371 42.059 0.008 0.000 1.231 594 L HN 0.223 nan 8.230 nan 0.000 0.438 595 G N 2.904 111.680 108.800 -0.040 0.000 2.804 595 G HA2 -0.182 3.777 3.960 -0.003 0.000 0.230 595 G HA3 -0.182 3.777 3.960 -0.003 0.000 0.230 595 G C -2.803 172.034 174.900 -0.106 0.000 1.386 595 G CA -1.207 43.855 45.100 -0.064 0.000 0.875 595 G HN 0.440 nan 8.290 nan 0.000 0.557 596 P HA 0.128 nan 4.420 nan 0.000 0.260 596 P C 0.754 177.934 177.300 -0.200 0.000 1.185 596 P CA 0.277 63.229 63.100 -0.246 0.000 0.763 596 P CB 0.587 31.977 31.700 -0.516 0.000 0.776 597 Q N 2.469 122.182 119.800 -0.145 0.000 2.435 597 Q HA -0.058 4.280 4.340 -0.003 0.000 0.207 597 Q C 1.051 176.990 176.000 -0.100 0.000 0.956 597 Q CA 0.879 56.617 55.803 -0.107 0.000 0.917 597 Q CB -0.263 28.433 28.738 -0.071 0.000 0.997 597 Q HN 0.585 nan 8.270 nan 0.000 0.497 598 N N 0.297 118.927 118.700 -0.117 0.000 2.314 598 N HA -0.020 4.718 4.740 -0.003 0.000 0.200 598 N C 0.339 175.821 175.510 -0.045 0.000 1.135 598 N CA -0.207 52.803 53.050 -0.067 0.000 0.835 598 N CB -0.135 38.338 38.487 -0.024 0.000 0.989 598 N HN 0.056 nan 8.380 nan 0.000 0.478 599 L N 2.167 123.324 121.223 -0.110 0.000 2.559 599 L HA 0.056 4.394 4.340 -0.003 0.000 0.282 599 L C 0.277 177.107 176.870 -0.066 0.000 1.232 599 L CA 0.553 55.379 54.840 -0.023 0.000 0.885 599 L CB 0.244 42.245 42.059 -0.096 0.000 1.131 599 L HN 0.469 nan 8.230 nan 0.000 0.498 600 S N 2.691 118.364 115.700 -0.044 0.000 2.643 600 S HA 0.609 5.078 4.470 -0.003 0.000 0.270 600 S C -0.422 173.968 174.600 -0.350 0.000 1.166 600 S CA -1.041 57.021 58.200 -0.231 0.000 0.815 600 S CB 0.349 63.492 63.200 -0.096 0.000 1.139 600 S HN 0.307 nan 8.310 nan 0.000 0.472 601 F N 1.687 121.524 119.950 -0.188 0.000 2.480 601 F HA 0.573 5.098 4.527 -0.003 0.000 0.319 601 F C 1.548 176.926 175.800 -0.703 0.000 1.230 601 F CA 0.323 58.103 58.000 -0.367 0.000 1.285 601 F CB 0.159 39.063 39.000 -0.160 0.000 1.208 601 F HN 0.929 nan 8.300 nan 0.000 0.579 602 A N 1.140 123.631 122.820 -0.548 0.000 2.507 602 A HA 0.206 4.524 4.320 -0.003 0.000 0.235 602 A C -0.022 177.445 177.584 -0.195 0.000 1.070 602 A CA -0.282 51.482 52.037 -0.456 0.000 0.768 602 A CB -0.069 18.812 19.000 -0.198 0.000 1.011 602 A HN 0.736 nan 8.150 nan 0.000 0.502 603 K N 2.070 122.385 120.400 -0.143 0.000 2.606 603 K HA 0.370 4.688 4.320 -0.003 0.000 0.196 603 K C -1.241 175.324 176.600 -0.058 0.000 1.048 603 K CA 0.181 56.428 56.287 -0.066 0.000 1.017 603 K CB 0.675 33.147 32.500 -0.047 0.000 1.413 603 K HN 0.626 nan 8.250 nan 0.000 0.568 604 I N 2.045 122.575 120.570 -0.067 0.000 2.342 604 I HA 0.215 4.383 4.170 -0.003 0.000 0.291 604 I C 0.649 176.794 176.117 0.046 0.000 1.010 604 I CA -0.580 60.679 61.300 -0.068 0.000 1.308 604 I CB 1.374 39.242 38.000 -0.220 0.000 1.400 604 I HN 0.410 nan 8.210 nan 0.000 0.488 605 A N 5.130 127.970 122.820 0.034 0.000 2.386 605 A HA 0.261 4.580 4.320 -0.003 0.000 0.248 605 A C 1.025 178.670 177.584 0.102 0.000 1.082 605 A CA -0.180 51.892 52.037 0.059 0.000 0.789 605 A CB 0.099 19.118 19.000 0.032 0.000 1.025 605 A HN 0.938 nan 8.150 nan 0.000 0.490 606 N N -1.834 116.921 118.700 0.092 0.000 2.929 606 N HA -0.212 4.526 4.740 -0.003 0.000 0.234 606 N C -0.317 175.269 175.510 0.127 0.000 0.908 606 N CA 1.800 54.905 53.050 0.091 0.000 0.993 606 N CB -1.450 37.087 38.487 0.083 0.000 1.075 606 N HN 0.656 nan 8.380 nan 0.000 0.603 607 F N 2.314 122.274 119.950 0.017 0.000 2.439 607 F HA 0.239 4.764 4.527 -0.003 0.000 0.356 607 F C 1.147 176.962 175.800 0.025 0.000 1.161 607 F CA -0.004 58.016 58.000 0.032 0.000 1.151 607 F CB 0.397 39.423 39.000 0.043 0.000 1.222 607 F HN -0.122 nan 8.300 nan 0.000 0.558 608 K N 3.881 124.023 120.400 -0.430 0.000 2.469 608 K HA 0.496 4.815 4.320 -0.003 0.000 0.204 608 K C 0.135 176.454 176.600 -0.468 0.000 1.047 608 K CA -0.043 56.041 56.287 -0.339 0.000 1.072 608 K CB 0.888 33.291 32.500 -0.161 0.000 0.863 608 K HN 0.762 nan 8.250 nan 0.000 0.530 609 G N 0.821 109.090 108.800 -0.884 0.000 2.336 609 G HA2 -0.071 3.887 3.960 -0.003 0.000 0.300 609 G HA3 -0.071 3.887 3.960 -0.003 0.000 0.300 609 G C -0.257 174.335 174.900 -0.513 0.000 1.375 609 G CA -0.968 43.777 45.100 -0.592 0.000 0.885 609 G HN 0.085 nan 8.290 nan 0.000 0.599 610 R N -0.044 120.345 120.500 -0.184 0.000 2.139 610 R HA -0.190 4.149 4.340 -0.003 0.000 0.243 610 R C 2.189 178.486 176.300 -0.005 0.000 1.145 610 R CA 1.969 58.057 56.100 -0.020 0.000 0.976 610 R CB -0.450 29.839 30.300 -0.017 0.000 0.866 610 R HN 0.600 nan 8.270 nan 0.000 0.449 611 Q N 1.588 121.354 119.800 -0.057 0.000 2.226 611 Q HA -0.157 4.182 4.340 -0.003 0.000 0.204 611 Q C 0.353 176.368 176.000 0.024 0.000 0.975 611 Q CA 1.618 57.409 55.803 -0.020 0.000 0.866 611 Q CB -0.173 28.539 28.738 -0.042 0.000 0.915 611 Q HN 0.404 nan 8.270 nan 0.000 0.440 612 D N 1.270 121.671 120.400 0.002 0.000 2.328 612 D HA 0.217 4.855 4.640 -0.003 0.000 0.226 612 D C -0.141 176.347 176.300 0.314 0.000 1.066 612 D CA 0.450 54.513 54.000 0.105 0.000 0.861 612 D CB 0.264 41.075 40.800 0.018 0.000 0.912 612 D HN 0.364 nan 8.370 nan 0.000 0.521 613 A N 0.659 123.678 122.820 0.331 0.000 2.289 613 A HA 0.440 4.758 4.320 -0.003 0.000 0.298 613 A C -0.022 177.706 177.584 0.241 0.000 1.208 613 A CA -0.419 51.855 52.037 0.394 0.000 0.845 613 A CB 1.013 20.206 19.000 0.322 0.000 1.125 613 A HN -0.025 nan 8.150 nan 0.000 0.517 614 V N 5.481 125.532 119.914 0.229 0.000 2.275 614 V HA 0.231 4.349 4.120 -0.003 0.000 0.272 614 V C -0.057 176.128 176.094 0.153 0.000 1.028 614 V CA -0.050 62.344 62.300 0.156 0.000 0.810 614 V CB 0.324 32.212 31.823 0.108 0.000 1.043 614 V HN 0.757 nan 8.190 nan 0.000 0.453 615 I N 4.334 124.980 120.570 0.126 0.000 2.472 615 I HA 0.322 4.490 4.170 -0.003 0.000 0.290 615 I C -0.617 175.451 176.117 -0.081 0.000 1.016 615 I CA -0.435 60.907 61.300 0.069 0.000 1.348 615 I CB 0.878 38.944 38.000 0.110 0.000 1.417 615 I HN 0.555 nan 8.210 nan 0.000 0.521 616 Y N 5.572 125.763 120.300 -0.182 0.000 2.332 616 Y HA 0.269 4.817 4.550 -0.003 0.000 0.326 616 Y C -0.188 175.589 175.900 -0.205 0.000 0.978 616 Y CA -0.736 57.232 58.100 -0.221 0.000 1.205 616 Y CB 1.069 39.454 38.460 -0.125 0.000 1.131 616 Y HN 0.538 nan 8.280 nan 0.000 0.462 617 E N 5.109 124.962 120.200 -0.577 0.000 2.105 617 E HA 0.620 4.968 4.350 -0.003 0.000 0.285 617 E C -1.325 175.134 176.600 -0.234 0.000 1.055 617 E CA -0.356 55.905 56.400 -0.230 0.000 0.843 617 E CB 0.435 30.175 29.700 0.068 0.000 1.067 617 E HN 0.726 nan 8.360 nan 0.000 0.398 618 A N 5.059 127.830 122.820 -0.082 0.000 2.386 618 A HA 0.311 4.629 4.320 -0.003 0.000 0.311 618 A C -1.278 176.378 177.584 0.119 0.000 1.068 618 A CA -0.748 51.295 52.037 0.011 0.000 0.743 618 A CB 1.222 20.239 19.000 0.029 0.000 1.258 618 A HN 0.797 nan 8.150 nan 0.000 0.429 619 H N 2.484 121.636 119.070 0.138 0.000 2.527 619 H HA 0.300 4.855 4.556 -0.003 0.000 0.321 619 H C 0.773 176.233 175.328 0.221 0.000 1.087 619 H CA 0.017 56.148 56.048 0.139 0.000 1.337 619 H CB 1.720 31.639 29.762 0.262 0.000 1.440 619 H HN 0.313 nan 8.280 nan 0.000 0.490 620 V N 5.614 125.389 119.914 -0.231 0.000 2.407 620 V HA -0.256 3.862 4.120 -0.003 0.000 0.248 620 V C 2.645 178.889 176.094 0.250 0.000 1.055 620 V CA 2.098 64.376 62.300 -0.036 0.000 1.049 620 V CB -0.501 30.842 31.823 -0.800 0.000 0.662 620 V HN 0.601 nan 8.190 nan 0.000 0.455 621 R N 1.039 121.788 120.500 0.415 0.000 2.061 621 R HA -0.137 4.202 4.340 -0.003 0.000 0.230 621 R C 1.922 178.557 176.300 0.559 0.000 1.140 621 R CA 2.065 58.518 56.100 0.589 0.000 0.940 621 R CB -1.052 29.706 30.300 0.763 0.000 0.839 621 R HN 0.495 nan 8.270 nan 0.000 0.429 622 D N -0.081 120.716 120.400 0.662 0.000 2.126 622 D HA -0.220 4.418 4.640 -0.003 0.000 0.190 622 D C 1.666 178.254 176.300 0.480 0.000 1.001 622 D CA 1.456 55.758 54.000 0.503 0.000 0.841 622 D CB -0.548 40.545 40.800 0.489 0.000 0.949 622 D HN 0.201 nan 8.370 nan 0.000 0.446 623 F N 0.593 120.696 119.950 0.254 0.000 2.250 623 F HA -0.138 4.387 4.527 -0.003 0.000 0.301 623 F C 1.852 177.815 175.800 0.272 0.000 1.077 623 F CA 1.654 59.696 58.000 0.069 0.000 1.348 623 F CB -0.072 38.738 39.000 -0.317 0.000 1.040 623 F HN 0.045 nan 8.300 nan 0.000 0.509 624 T N -4.211 110.520 114.554 0.294 0.000 3.337 624 T HA 0.148 4.496 4.350 -0.003 0.000 0.299 624 T C 1.195 176.017 174.700 0.202 0.000 0.998 624 T CA 0.314 62.530 62.100 0.193 0.000 0.948 624 T CB -0.761 68.155 68.868 0.080 0.000 1.170 624 T HN 0.131 nan 8.240 nan 0.000 0.508 625 S N -0.234 115.623 115.700 0.262 0.000 2.593 625 S HA 0.113 4.582 4.470 -0.003 0.000 0.217 625 S C 0.452 175.124 174.600 0.119 0.000 0.966 625 S CA -0.271 58.045 58.200 0.193 0.000 0.914 625 S CB -0.399 62.937 63.200 0.225 0.000 0.776 625 S HN 0.479 nan 8.310 nan 0.000 0.523 626 D N 2.091 122.608 120.400 0.196 0.000 2.425 626 D HA 0.095 4.733 4.640 -0.003 0.000 0.247 626 D C 1.090 177.394 176.300 0.007 0.000 1.147 626 D CA 0.183 54.258 54.000 0.124 0.000 0.879 626 D CB 0.798 41.826 40.800 0.379 0.000 1.179 626 D HN 0.280 nan 8.370 nan 0.000 0.456 627 Q N 1.499 121.239 119.800 -0.099 0.000 2.135 627 Q HA -0.171 4.168 4.340 -0.003 0.000 0.204 627 Q C 1.903 177.884 176.000 -0.032 0.000 0.981 627 Q CA 1.591 57.351 55.803 -0.071 0.000 0.856 627 Q CB -0.095 28.584 28.738 -0.098 0.000 0.902 627 Q HN 0.652 nan 8.270 nan 0.000 0.425 628 S N 0.515 116.210 115.700 -0.008 0.000 2.469 628 S HA -0.090 4.379 4.470 -0.003 0.000 0.238 628 S C 1.661 176.242 174.600 -0.033 0.000 0.998 628 S CA 0.714 58.912 58.200 -0.002 0.000 0.957 628 S CB -0.317 62.901 63.200 0.030 0.000 0.764 628 S HN 0.325 nan 8.310 nan 0.000 0.514 629 L N 1.317 122.513 121.223 -0.046 0.000 2.627 629 L HA 0.149 4.487 4.340 -0.003 0.000 0.233 629 L C 1.061 177.886 176.870 -0.076 0.000 1.144 629 L CA 0.033 54.811 54.840 -0.105 0.000 0.892 629 L CB -0.511 41.454 42.059 -0.156 0.000 1.039 629 L HN 0.109 nan 8.230 nan 0.000 0.442 630 D N 1.038 121.409 120.400 -0.050 0.000 2.393 630 D HA -0.082 4.556 4.640 -0.003 0.000 0.220 630 D C 1.225 177.500 176.300 -0.042 0.000 0.974 630 D CA 0.676 54.653 54.000 -0.039 0.000 0.931 630 D CB 0.025 40.807 40.800 -0.030 0.000 0.889 630 D HN 0.384 nan 8.370 nan 0.000 0.512 635 N N 1.885 120.591 118.700 0.010 0.000 2.463 635 N HA 0.121 4.860 4.740 -0.003 0.000 0.270 635 N C -0.522 175.006 175.510 0.030 0.000 1.205 635 N CA -0.320 52.748 53.050 0.031 0.000 0.974 635 N CB 0.900 39.421 38.487 0.056 0.000 1.197 635 N HN 0.381 nan 8.380 nan 0.000 0.504 636 Q N 0.291 120.115 119.800 0.039 0.000 2.540 636 Q HA 0.040 4.379 4.340 -0.003 0.000 0.256 636 Q C -0.357 175.674 176.000 0.051 0.000 1.084 636 Q CA -0.320 55.505 55.803 0.036 0.000 0.956 636 Q CB 0.473 29.232 28.738 0.035 0.000 1.303 636 Q HN 0.372 nan 8.270 nan 0.000 0.509 637 L N 2.207 123.459 121.223 0.049 0.000 2.455 637 L HA 0.196 4.534 4.340 -0.003 0.000 0.272 637 L C 0.712 177.650 176.870 0.113 0.000 1.174 637 L CA 1.904 56.787 54.840 0.071 0.000 0.869 637 L CB 0.236 42.331 42.059 0.060 0.000 1.130 637 L HN 0.838 nan 8.230 nan 0.000 0.474 638 G N 2.275 111.168 108.800 0.156 0.000 2.338 638 G HA2 -0.249 3.710 3.960 -0.003 0.000 0.296 638 G HA3 -0.249 3.710 3.960 -0.003 0.000 0.296 638 G C 0.167 175.195 174.900 0.212 0.000 1.040 638 G CA 0.566 45.802 45.100 0.226 0.000 1.004 638 G HN 1.089 nan 8.290 nan 0.000 0.509 639 T N -4.015 110.635 114.554 0.159 0.000 2.907 639 T HA 0.699 5.047 4.350 -0.003 0.000 0.290 639 T C 1.111 175.892 174.700 0.134 0.000 1.066 639 T CA -0.428 61.713 62.100 0.069 0.000 1.012 639 T CB 1.206 70.114 68.868 0.066 0.000 1.184 639 T HN 0.111 nan 8.240 nan 0.000 0.522 640 F N 0.840 120.893 119.950 0.172 0.000 2.126 640 F HA 0.063 4.589 4.527 -0.003 0.000 0.299 640 F C 2.940 178.832 175.800 0.153 0.000 1.096 640 F CA 1.440 59.506 58.000 0.110 0.000 1.255 640 F CB -1.381 37.648 39.000 0.049 0.000 0.997 640 F HN 0.791 nan 8.300 nan 0.000 0.479 641 A N -0.227 122.774 122.820 0.303 0.000 1.969 641 A HA 0.072 4.390 4.320 -0.003 0.000 0.218 641 A C 2.421 180.111 177.584 0.176 0.000 1.169 641 A CA 1.481 53.642 52.037 0.206 0.000 0.635 641 A CB -1.137 17.953 19.000 0.150 0.000 0.810 641 A HN 0.296 nan 8.150 nan 0.000 0.445 642 A N -1.136 121.792 122.820 0.180 0.000 1.873 642 A HA -0.008 4.310 4.320 -0.003 0.000 0.215 642 A C 2.025 179.725 177.584 0.193 0.000 1.186 642 A CA 1.348 53.468 52.037 0.139 0.000 0.616 642 A CB -0.784 18.288 19.000 0.121 0.000 0.823 642 A HN 0.554 nan 8.150 nan 0.000 0.442 643 F N 2.063 122.116 119.950 0.172 0.000 2.115 643 F HA -0.303 4.222 4.527 -0.003 0.000 0.300 643 F C 2.834 178.763 175.800 0.216 0.000 1.092 643 F CA 2.215 60.375 58.000 0.267 0.000 1.245 643 F CB -0.044 39.105 39.000 0.248 0.000 0.995 643 F HN 0.360 nan 8.300 nan 0.000 0.481 644 S N -0.472 115.477 115.700 0.415 0.000 2.400 644 S HA -0.247 4.221 4.470 -0.003 0.000 0.232 644 S C 1.629 176.321 174.600 0.154 0.000 1.025 644 S CA 1.490 59.849 58.200 0.267 0.000 0.993 644 S CB -0.765 62.541 63.200 0.176 0.000 0.808 644 S HN 0.596 nan 8.310 nan 0.000 0.478 645 E N 1.003 121.256 120.200 0.088 0.000 2.268 645 E HA -0.017 4.331 4.350 -0.003 0.000 0.195 645 E C 0.883 177.438 176.600 -0.075 0.000 0.995 645 E CA 0.652 57.046 56.400 -0.009 0.000 0.836 645 E CB 0.044 29.710 29.700 -0.056 0.000 0.763 645 E HN 0.360 nan 8.360 nan 0.000 0.491 646 K N 0.402 120.761 120.400 -0.069 0.000 2.498 646 K HA 0.179 4.497 4.320 -0.003 0.000 0.207 646 K C 1.314 178.035 176.600 0.203 0.000 1.033 646 K CA -0.027 56.183 56.287 -0.129 0.000 1.138 646 K CB 0.491 32.671 32.500 -0.534 0.000 0.860 646 K HN 0.156 nan 8.250 nan 0.000 0.490 647 L N 0.361 121.700 121.223 0.193 0.000 2.156 647 L HA -0.139 4.199 4.340 -0.003 0.000 0.208 647 L C 1.350 178.301 176.870 0.136 0.000 1.095 647 L CA 0.975 55.937 54.840 0.203 0.000 0.770 647 L CB -0.120 42.030 42.059 0.152 0.000 0.914 647 L HN 0.075 nan 8.230 nan 0.000 0.439 648 D N -0.640 119.822 120.400 0.103 0.000 2.149 648 D HA -0.248 4.390 4.640 -0.003 0.000 0.198 648 D C 1.793 178.158 176.300 0.108 0.000 0.990 648 D CA 1.129 55.173 54.000 0.073 0.000 0.839 648 D CB -0.166 40.665 40.800 0.050 0.000 0.948 648 D HN 0.284 nan 8.370 nan 0.000 0.460 649 Y N 1.405 121.745 120.300 0.067 0.000 2.053 649 Y HA -0.236 4.312 4.550 -0.003 0.000 0.277 649 Y C 2.112 178.057 175.900 0.075 0.000 1.159 649 Y CA 1.611 59.788 58.100 0.129 0.000 1.125 649 Y CB -0.592 38.046 38.460 0.297 0.000 0.969 649 Y HN -0.053 nan 8.280 nan 0.000 0.492 650 L N 0.185 121.386 121.223 -0.035 0.000 2.083 650 L HA -0.238 4.100 4.340 -0.003 0.000 0.209 650 L C 2.717 179.454 176.870 -0.222 0.000 1.083 650 L CA 1.741 56.412 54.840 -0.281 0.000 0.752 650 L CB -0.723 41.217 42.059 -0.199 0.000 0.899 650 L HN 0.371 nan 8.230 nan 0.000 0.433 651 Q N 0.671 120.408 119.800 -0.106 0.000 2.061 651 Q HA -0.261 4.077 4.340 -0.003 0.000 0.204 651 Q C 2.189 178.128 176.000 -0.101 0.000 0.984 651 Q CA 1.783 57.535 55.803 -0.086 0.000 0.846 651 Q CB 0.100 28.814 28.738 -0.039 0.000 0.902 651 Q HN 0.396 nan 8.270 nan 0.000 0.421 652 K N -0.086 120.249 120.400 -0.109 0.000 2.097 652 K HA -0.132 4.186 4.320 -0.003 0.000 0.205 652 K C 2.036 178.542 176.600 -0.157 0.000 1.050 652 K CA 0.881 57.107 56.287 -0.101 0.000 0.938 652 K CB -0.147 32.320 32.500 -0.055 0.000 0.718 652 K HN 0.164 nan 8.250 nan 0.000 0.442 653 L N 0.177 121.221 121.223 -0.300 0.000 2.187 653 L HA -0.105 4.233 4.340 -0.003 0.000 0.213 653 L C 1.181 177.952 176.870 -0.165 0.000 1.100 653 L CA 2.327 56.987 54.840 -0.299 0.000 0.765 653 L CB -0.434 41.318 42.059 -0.513 0.000 0.904 653 L HN 0.481 nan 8.230 nan 0.000 0.437 654 G N -1.721 106.989 108.800 -0.149 0.000 2.176 654 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.232 654 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.232 654 G C 0.407 175.263 174.900 -0.073 0.000 0.986 654 G CA 0.352 45.400 45.100 -0.087 0.000 0.643 654 G HN 0.883 nan 8.290 nan 0.000 0.522 655 V N 0.042 119.895 119.914 -0.103 0.000 2.901 655 V HA 0.559 4.677 4.120 -0.003 0.000 0.307 655 V C 1.618 177.666 176.094 -0.075 0.000 1.084 655 V CA 1.540 63.805 62.300 -0.057 0.000 1.184 655 V CB 0.939 32.721 31.823 -0.068 0.000 0.941 655 V HN 1.052 nan 8.190 nan 0.000 0.493 656 T N 0.312 114.840 114.554 -0.045 0.000 3.031 656 T HA 0.189 4.537 4.350 -0.003 0.000 0.254 656 T C 0.507 174.939 174.700 -0.447 0.000 1.060 656 T CA 0.775 62.756 62.100 -0.197 0.000 1.135 656 T CB -0.375 68.431 68.868 -0.103 0.000 0.896 656 T HN 0.884 nan 8.240 nan 0.000 0.472 657 H N -0.379 118.654 119.070 -0.062 0.000 2.679 657 H HA 0.603 5.157 4.556 -0.003 0.000 0.360 657 H C -1.053 174.260 175.328 -0.024 0.000 1.105 657 H CA -0.848 55.160 56.048 -0.068 0.000 1.196 657 H CB 1.661 31.381 29.762 -0.071 0.000 1.636 657 H HN 0.156 nan 8.280 nan 0.000 0.531 658 I N 2.589 123.192 120.570 0.055 0.000 2.304 658 I HA 0.144 4.313 4.170 -0.003 0.000 0.291 658 I C -0.101 176.016 176.117 -0.000 0.000 1.018 658 I CA -0.300 61.028 61.300 0.048 0.000 1.260 658 I CB 1.104 39.096 38.000 -0.012 0.000 1.390 658 I HN 0.455 nan 8.210 nan 0.000 0.475 659 Q N 7.392 127.204 119.800 0.020 0.000 2.331 659 Q HA 0.471 4.809 4.340 -0.003 0.000 0.257 659 Q C -1.380 174.592 176.000 -0.046 0.000 0.957 659 Q CA -0.624 55.177 55.803 -0.002 0.000 0.923 659 Q CB 1.116 29.910 28.738 0.094 0.000 1.212 659 Q HN 0.625 nan 8.270 nan 0.000 0.443 660 L N 4.854 126.004 121.223 -0.121 0.000 2.275 660 L HA 0.293 4.631 4.340 -0.003 0.000 0.288 660 L C -0.155 176.629 176.870 -0.142 0.000 1.046 660 L CA -0.866 53.868 54.840 -0.177 0.000 0.805 660 L CB 0.797 42.687 42.059 -0.282 0.000 1.193 660 L HN 0.598 nan 8.230 nan 0.000 0.426 661 L N 5.423 126.552 121.223 -0.155 0.000 2.503 661 L HA 0.006 4.344 4.340 -0.003 0.000 0.287 661 L C -1.834 174.891 176.870 -0.242 0.000 1.252 661 L CA -0.531 54.179 54.840 -0.216 0.000 0.835 661 L CB -0.449 41.473 42.059 -0.228 0.000 1.099 661 L HN 0.392 nan 8.230 nan 0.000 0.516 662 P HA -0.098 nan 4.420 nan 0.000 0.253 662 P C 0.536 177.864 177.300 0.046 0.000 1.159 662 P CA 0.409 63.414 63.100 -0.158 0.000 0.779 662 P CB 0.109 31.641 31.700 -0.280 0.000 0.745 663 V N 2.717 122.669 119.914 0.063 0.000 3.354 663 V HA 0.079 4.197 4.120 -0.003 0.000 0.258 663 V C 0.893 177.082 176.094 0.159 0.000 1.159 663 V CA 0.464 62.901 62.300 0.227 0.000 1.125 663 V CB -0.763 31.158 31.823 0.164 0.000 0.774 663 V HN 0.183 nan 8.190 nan 0.000 0.464 664 L N 1.971 123.225 121.223 0.050 0.000 2.483 664 L HA 0.179 4.518 4.340 -0.003 0.000 0.275 664 L C 1.056 177.911 176.870 -0.025 0.000 1.220 664 L CA 0.566 55.404 54.840 -0.002 0.000 0.833 664 L CB 0.650 42.682 42.059 -0.044 0.000 1.102 664 L HN 0.372 nan 8.230 nan 0.000 0.490 665 S N 1.748 117.376 115.700 -0.119 0.000 2.546 665 S HA 0.054 4.522 4.470 -0.003 0.000 0.290 665 S C -0.664 173.832 174.600 -0.173 0.000 1.290 665 S CA -0.255 57.794 58.200 -0.251 0.000 1.069 665 S CB -0.147 62.894 63.200 -0.266 0.000 0.846 665 S HN 0.356 nan 8.310 nan 0.000 0.495 666 Y N 3.169 123.412 120.300 -0.096 0.000 2.562 666 Y HA 0.618 5.166 4.550 -0.003 0.000 0.343 666 Y C 0.510 176.449 175.900 0.066 0.000 1.025 666 Y CA -1.570 56.512 58.100 -0.029 0.000 1.082 666 Y CB 0.370 38.830 38.460 -0.000 0.000 1.264 666 Y HN 0.521 nan 8.280 nan 0.000 0.478 667 F N 0.532 120.586 119.950 0.173 0.000 2.094 667 F HA 0.147 4.673 4.527 -0.003 0.000 0.291 667 F C 0.387 176.339 175.800 0.255 0.000 1.109 667 F CA 0.533 58.607 58.000 0.123 0.000 1.221 667 F CB 0.013 38.925 39.000 -0.147 0.000 1.014 667 F HN 0.491 nan 8.300 nan 0.000 0.473 668 Y N 2.123 122.771 120.300 0.580 0.000 2.573 668 Y HA 0.401 4.949 4.550 -0.003 0.000 0.346 668 Y C -0.455 175.568 175.900 0.206 0.000 1.198 668 Y CA -0.399 57.923 58.100 0.371 0.000 1.627 668 Y CB -0.104 38.554 38.460 0.331 0.000 1.457 668 Y HN -0.130 nan 8.280 nan 0.000 0.483 669 V N -0.557 119.436 119.914 0.132 0.000 3.225 669 V HA 0.419 4.537 4.120 -0.003 0.000 0.293 669 V C -1.276 174.680 176.094 -0.230 0.000 1.405 669 V CA -1.259 61.047 62.300 0.010 0.000 1.038 669 V CB 2.268 34.116 31.823 0.043 0.000 1.123 669 V HN 0.395 nan 8.190 nan 0.000 0.447 670 N N 0.693 119.287 118.700 -0.177 0.000 2.564 670 N HA 0.384 5.122 4.740 -0.003 0.000 0.248 670 N C 0.421 175.822 175.510 -0.181 0.000 0.986 670 N CA -0.318 52.592 53.050 -0.234 0.000 0.921 670 N CB 1.517 39.900 38.487 -0.174 0.000 1.136 670 N HN 0.832 nan 8.380 nan 0.000 0.509 671 E N 2.074 122.147 120.200 -0.213 0.000 2.478 671 E HA -0.023 4.326 4.350 -0.003 0.000 0.198 671 E C 0.802 177.321 176.600 -0.135 0.000 1.046 671 E CA 0.687 56.980 56.400 -0.177 0.000 0.870 671 E CB 0.133 29.722 29.700 -0.185 0.000 0.818 671 E HN 0.628 nan 8.360 nan 0.000 0.527 672 M N 0.381 119.902 119.600 -0.133 0.000 2.502 672 M HA 0.066 4.545 4.480 -0.003 0.000 0.243 672 M C 0.304 176.557 176.300 -0.078 0.000 1.130 672 M CA 0.531 55.771 55.300 -0.100 0.000 1.055 672 M CB -0.299 32.237 32.600 -0.107 0.000 1.457 672 M HN -0.120 nan 8.290 nan 0.000 0.488 673 D N 1.280 121.634 120.400 -0.077 0.000 2.477 673 D HA 0.204 4.843 4.640 -0.003 0.000 0.239 673 D C 0.367 176.649 176.300 -0.030 0.000 1.102 673 D CA 0.057 54.026 54.000 -0.052 0.000 0.901 673 D CB 0.694 41.462 40.800 -0.054 0.000 1.026 673 D HN 0.066 nan 8.370 nan 0.000 0.515 674 K N 1.062 121.451 120.400 -0.019 0.000 2.374 674 K HA 0.083 4.402 4.320 -0.003 0.000 0.196 674 K C 0.638 177.249 176.600 0.018 0.000 1.023 674 K CA -0.172 56.119 56.287 0.005 0.000 1.103 674 K CB 0.266 32.769 32.500 0.004 0.000 0.848 674 K HN 0.428 nan 8.250 nan 0.000 0.528 675 S N 1.401 117.103 115.700 0.004 0.000 2.560 675 S HA 0.050 4.519 4.470 -0.003 0.000 0.284 675 S C 0.184 174.788 174.600 0.007 0.000 1.327 675 S CA -0.749 57.451 58.200 0.000 0.000 1.055 675 S CB 1.062 64.255 63.200 -0.012 0.000 0.868 675 S HN 0.240 nan 8.310 nan 0.000 0.506 676 R N 1.844 122.342 120.500 -0.003 0.000 2.442 676 R HA 0.152 4.490 4.340 -0.003 0.000 0.291 676 R C -0.183 176.094 176.300 -0.038 0.000 1.069 676 R CA -0.033 56.059 56.100 -0.015 0.000 1.022 676 R CB 0.261 30.540 30.300 -0.036 0.000 0.976 676 R HN 0.870 nan 8.270 nan 0.000 0.443 677 S N 2.527 118.198 115.700 -0.048 0.000 2.416 677 S HA 0.070 4.538 4.470 -0.003 0.000 0.287 677 S C 1.014 175.532 174.600 -0.138 0.000 1.139 677 S CA -0.435 57.717 58.200 -0.079 0.000 1.058 677 S CB 1.505 64.659 63.200 -0.076 0.000 0.967 677 S HN 0.772 nan 8.310 nan 0.000 0.495 678 T N 0.003 114.482 114.554 -0.126 0.000 3.037 678 T HA 0.381 4.729 4.350 -0.003 0.000 0.252 678 T C 0.834 175.431 174.700 -0.172 0.000 1.073 678 T CA 0.244 62.247 62.100 -0.162 0.000 1.091 678 T CB -0.214 68.597 68.868 -0.094 0.000 0.935 678 T HN 0.870 nan 8.240 nan 0.000 0.488 679 A N 1.038 123.800 122.820 -0.098 0.000 2.462 679 A HA 0.496 4.815 4.320 -0.003 0.000 0.243 679 A C -0.740 176.793 177.584 -0.085 0.000 1.076 679 A CA -0.467 51.559 52.037 -0.018 0.000 0.773 679 A CB -0.349 18.655 19.000 0.006 0.000 1.010 679 A HN 0.553 nan 8.150 nan 0.000 0.493 680 Y N 1.937 122.206 120.300 -0.052 0.000 2.504 680 Y HA 0.404 4.953 4.550 -0.003 0.000 0.351 680 Y C 1.136 176.999 175.900 -0.062 0.000 0.988 680 Y CA 0.746 58.806 58.100 -0.067 0.000 1.239 680 Y CB 0.789 39.200 38.460 -0.082 0.000 1.128 680 Y HN 0.784 nan 8.280 nan 0.000 0.525 681 T N -2.238 112.309 114.554 -0.012 0.000 2.843 681 T HA 0.401 4.749 4.350 -0.003 0.000 0.302 681 T C 0.235 174.855 174.700 -0.133 0.000 1.232 681 T CA -0.774 61.293 62.100 -0.056 0.000 1.009 681 T CB 1.537 70.372 68.868 -0.055 0.000 1.254 681 T HN 0.338 nan 8.240 nan 0.000 0.504 682 S N -0.466 115.136 115.700 -0.164 0.000 2.749 682 S HA 0.558 5.026 4.470 -0.003 0.000 0.246 682 S C 0.042 174.492 174.600 -0.251 0.000 1.023 682 S CA -0.470 57.598 58.200 -0.220 0.000 1.012 682 S CB -0.131 62.939 63.200 -0.215 0.000 0.942 682 S HN 0.711 nan 8.310 nan 0.000 0.531 683 S N 1.341 116.917 115.700 -0.207 0.000 2.579 683 S HA 0.502 4.970 4.470 -0.003 0.000 0.272 683 S C -1.546 172.959 174.600 -0.157 0.000 1.141 683 S CA -0.683 57.399 58.200 -0.197 0.000 0.843 683 S CB 1.192 64.314 63.200 -0.129 0.000 1.122 683 S HN 0.327 nan 8.310 nan 0.000 0.468 684 D N 1.871 122.182 120.400 -0.147 0.000 2.735 684 D HA -0.146 4.493 4.640 -0.003 0.000 0.235 684 D C -0.731 175.519 176.300 -0.084 0.000 1.175 684 D CA 1.029 54.969 54.000 -0.099 0.000 0.683 684 D CB -1.073 39.687 40.800 -0.067 0.000 1.008 684 D HN 0.381 nan 8.370 nan 0.000 0.416 685 N N 0.369 119.012 118.700 -0.095 0.000 2.284 685 N HA 0.118 4.857 4.740 -0.003 0.000 0.300 685 N C 1.026 176.536 175.510 0.001 0.000 1.047 685 N CA -0.622 52.399 53.050 -0.049 0.000 0.821 685 N CB 1.534 39.983 38.487 -0.064 0.000 1.337 685 N HN -0.040 nan 8.380 nan 0.000 0.482 686 N N 0.770 119.486 118.700 0.027 0.000 2.443 686 N HA -0.158 4.580 4.740 -0.003 0.000 0.184 686 N C -0.028 175.539 175.510 0.096 0.000 1.037 686 N CA 0.714 53.793 53.050 0.048 0.000 0.896 686 N CB -0.151 38.351 38.487 0.026 0.000 0.959 686 N HN 0.523 nan 8.380 nan 0.000 0.442 687 Y N 0.985 121.275 120.300 -0.018 0.000 2.805 687 Y HA 0.089 4.637 4.550 -0.003 0.000 0.337 687 Y C -0.116 175.762 175.900 -0.038 0.000 1.252 687 Y CA 0.453 58.545 58.100 -0.013 0.000 1.515 687 Y CB 0.188 38.594 38.460 -0.090 0.000 1.305 687 Y HN 0.073 nan 8.280 nan 0.000 0.600 688 N N 5.070 123.430 118.700 -0.566 0.000 2.493 688 N HA 0.047 4.785 4.740 -0.003 0.000 0.279 688 N C -0.298 174.906 175.510 -0.511 0.000 1.082 688 N CA -0.711 52.097 53.050 -0.403 0.000 0.963 688 N CB 0.329 38.692 38.487 -0.206 0.000 1.627 688 N HN 0.724 nan 8.380 nan 0.000 0.499 689 W N 2.854 123.947 121.300 -0.345 0.000 2.338 689 W HA 0.105 4.764 4.660 -0.002 0.000 0.304 689 W C 1.442 177.605 176.519 -0.594 0.000 1.212 689 W CA 2.278 59.482 57.345 -0.236 0.000 1.264 689 W CB -0.580 28.897 29.460 0.029 0.000 1.142 689 W HN 0.863 nan 8.180 nan 0.000 0.512 690 G N -2.511 105.940 108.800 -0.582 0.000 2.145 690 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.145 690 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.145 690 G C -0.154 174.465 174.900 -0.469 0.000 1.017 690 G CA -0.246 44.299 45.100 -0.925 0.000 0.682 690 G HN 0.202 nan 8.290 nan 0.000 0.504 691 Y N 1.410 121.697 120.300 -0.022 0.000 2.676 691 Y HA 0.375 4.923 4.550 -0.003 0.000 0.331 691 Y C 0.435 176.342 175.900 0.012 0.000 1.128 691 Y CA -0.973 57.129 58.100 0.003 0.000 1.360 691 Y CB 0.515 38.991 38.460 0.027 0.000 1.176 691 Y HN 0.118 nan 8.280 nan 0.000 0.518 692 D N 0.738 121.219 120.400 0.136 0.000 2.400 692 D HA 0.233 4.871 4.640 -0.003 0.000 0.272 692 D C -2.852 173.494 176.300 0.077 0.000 1.220 692 D CA -1.546 52.550 54.000 0.160 0.000 0.897 692 D CB 1.552 42.539 40.800 0.312 0.000 1.134 692 D HN 0.019 nan 8.370 nan 0.000 0.507 693 P HA 0.090 nan 4.420 nan 0.000 0.271 693 P C 0.519 177.705 177.300 -0.189 0.000 1.216 693 P CA 0.122 63.109 63.100 -0.189 0.000 0.771 693 P CB 1.551 33.017 31.700 -0.390 0.000 0.864 694 Q N 1.867 121.551 119.800 -0.194 0.000 2.462 694 Q HA 0.145 4.483 4.340 -0.003 0.000 0.224 694 Q C 0.181 176.007 176.000 -0.290 0.000 0.911 694 Q CA 0.426 56.115 55.803 -0.191 0.000 0.925 694 Q CB 0.449 29.058 28.738 -0.215 0.000 1.063 694 Q HN 0.416 nan 8.270 nan 0.000 0.572 695 S N -1.460 114.039 115.700 -0.334 0.000 2.570 695 S HA 0.400 4.868 4.470 -0.003 0.000 0.286 695 S C -0.951 173.449 174.600 -0.334 0.000 1.099 695 S CA -0.683 57.364 58.200 -0.254 0.000 0.913 695 S CB 0.870 63.990 63.200 -0.133 0.000 1.085 695 S HN 0.337 nan 8.310 nan 0.000 0.480 696 Y N 1.801 122.164 120.300 0.104 0.000 2.458 696 Y HA 0.400 4.949 4.550 -0.003 0.000 0.254 696 Y C 0.792 176.609 175.900 -0.138 0.000 1.120 696 Y CA 0.059 58.138 58.100 -0.035 0.000 1.282 696 Y CB 0.163 38.629 38.460 0.011 0.000 1.109 696 Y HN 0.668 nan 8.280 nan 0.000 0.526 697 F N -1.290 118.731 119.950 0.118 0.000 2.711 697 F HA 0.458 4.983 4.527 -0.003 0.000 0.296 697 F C 1.164 177.064 175.800 0.166 0.000 1.096 697 F CA -0.231 57.853 58.000 0.140 0.000 1.280 697 F CB 0.168 39.130 39.000 -0.063 0.000 1.060 697 F HN -0.204 nan 8.300 nan 0.000 0.608 698 A N 1.758 124.724 122.820 0.243 0.000 2.290 698 A HA 0.608 4.926 4.320 -0.003 0.000 0.310 698 A C -0.238 177.385 177.584 0.066 0.000 1.202 698 A CA -0.461 51.664 52.037 0.146 0.000 0.837 698 A CB 0.175 19.197 19.000 0.037 0.000 1.139 698 A HN 0.200 nan 8.150 nan 0.000 0.509 699 L N 1.526 122.804 121.223 0.093 0.000 2.464 699 L HA 0.235 4.573 4.340 -0.003 0.000 0.264 699 L C 1.266 178.117 176.870 -0.031 0.000 1.199 699 L CA -0.225 54.646 54.840 0.052 0.000 0.818 699 L CB 0.849 42.982 42.059 0.124 0.000 1.102 699 L HN 0.738 nan 8.230 nan 0.000 0.473 700 S N 0.326 115.971 115.700 -0.092 0.000 2.564 700 S HA 0.194 4.663 4.470 -0.003 0.000 0.278 700 S C 1.108 175.560 174.600 -0.247 0.000 1.333 700 S CA -0.126 57.889 58.200 -0.309 0.000 1.048 700 S CB 1.296 64.127 63.200 -0.615 0.000 0.900 700 S HN 0.751 nan 8.310 nan 0.000 0.505 701 G N 3.696 112.339 108.800 -0.262 0.000 2.534 701 G HA2 -0.125 3.833 3.960 -0.003 0.000 0.217 701 G HA3 -0.125 3.833 3.960 -0.003 0.000 0.217 701 G C 1.176 175.901 174.900 -0.292 0.000 1.128 701 G CA 0.561 45.545 45.100 -0.193 0.000 0.784 701 G HN 0.692 nan 8.290 nan 0.000 0.542 702 M N 0.197 119.494 119.600 -0.505 0.000 2.202 702 M HA -0.017 4.461 4.480 -0.003 0.000 0.262 702 M C 1.063 177.034 176.300 -0.548 0.000 1.063 702 M CA 1.078 56.032 55.300 -0.577 0.000 1.097 702 M CB -0.277 31.839 32.600 -0.808 0.000 1.382 702 M HN 0.274 nan 8.290 nan 0.000 0.413 703 Y N -1.266 118.824 120.300 -0.350 0.000 2.571 703 Y HA 0.470 5.018 4.550 -0.003 0.000 0.275 703 Y C 0.825 176.373 175.900 -0.587 0.000 1.179 703 Y CA -0.759 56.960 58.100 -0.635 0.000 1.242 703 Y CB -0.766 36.911 38.460 -1.304 0.000 1.126 703 Y HN 0.095 nan 8.280 nan 0.000 0.524 704 S N 0.030 115.625 115.700 -0.176 0.000 2.509 704 S HA 0.241 4.709 4.470 -0.003 0.000 0.297 704 S C 1.025 175.623 174.600 -0.003 0.000 1.118 704 S CA -0.503 57.683 58.200 -0.022 0.000 1.074 704 S CB 1.259 64.471 63.200 0.020 0.000 1.038 704 S HN 0.435 nan 8.310 nan 0.000 0.498 705 E N 2.293 122.519 120.200 0.042 0.000 2.152 705 E HA 0.019 4.368 4.350 -0.003 0.000 0.192 705 E C -0.000 176.614 176.600 0.025 0.000 0.983 705 E CA 0.766 57.187 56.400 0.035 0.000 0.818 705 E CB 0.157 29.889 29.700 0.052 0.000 0.758 705 E HN 0.486 nan 8.360 nan 0.000 0.467 706 K N 1.227 121.647 120.400 0.035 0.000 2.533 706 K HA 0.159 4.477 4.320 -0.003 0.000 0.207 706 K C -2.166 174.450 176.600 0.027 0.000 1.052 706 K CA -1.308 54.996 56.287 0.029 0.000 1.030 706 K CB 1.540 34.064 32.500 0.040 0.000 1.522 706 K HN -0.039 nan 8.250 nan 0.000 0.543 707 P HA -0.120 nan 4.420 nan 0.000 0.223 707 P C 0.527 177.828 177.300 0.003 0.000 1.151 707 P CA 0.908 64.000 63.100 -0.014 0.000 0.787 707 P CB 0.361 32.027 31.700 -0.056 0.000 0.788 708 K N -0.496 119.913 120.400 0.014 0.000 2.296 708 K HA -0.039 4.280 4.320 -0.003 0.000 0.200 708 K C 0.787 177.448 176.600 0.101 0.000 1.048 708 K CA 0.434 56.746 56.287 0.042 0.000 0.966 708 K CB -0.197 32.319 32.500 0.027 0.000 0.754 708 K HN 0.058 nan 8.250 nan 0.000 0.466 709 D N 1.323 121.769 120.400 0.077 0.000 2.365 709 D HA 0.042 4.681 4.640 -0.003 0.000 0.237 709 D C -1.736 174.628 176.300 0.106 0.000 1.190 709 D CA -2.484 51.566 54.000 0.084 0.000 0.867 709 D CB 1.361 42.197 40.800 0.061 0.000 1.050 709 D HN -0.065 nan 8.370 nan 0.000 0.491 710 P HA -0.058 nan 4.420 nan 0.000 0.223 710 P C 1.050 178.431 177.300 0.136 0.000 1.151 710 P CA 0.421 63.613 63.100 0.154 0.000 0.787 710 P CB 0.439 32.264 31.700 0.208 0.000 0.788 711 S N -0.047 115.722 115.700 0.115 0.000 2.453 711 S HA 0.038 4.506 4.470 -0.003 0.000 0.231 711 S C 2.097 176.769 174.600 0.119 0.000 1.005 711 S CA 0.908 59.177 58.200 0.114 0.000 0.949 711 S CB -0.667 62.586 63.200 0.088 0.000 0.774 711 S HN 0.189 nan 8.310 nan 0.000 0.510 712 A N 2.290 125.178 122.820 0.114 0.000 1.877 712 A HA -0.143 4.175 4.320 -0.003 0.000 0.216 712 A C 2.088 179.774 177.584 0.169 0.000 1.186 712 A CA 1.480 53.589 52.037 0.120 0.000 0.620 712 A CB -0.523 18.538 19.000 0.101 0.000 0.822 712 A HN 0.399 nan 8.150 nan 0.000 0.443 713 R N -0.246 120.370 120.500 0.193 0.000 2.133 713 R HA -0.199 4.139 4.340 -0.003 0.000 0.245 713 R C 1.977 178.451 176.300 0.290 0.000 1.137 713 R CA 2.195 58.464 56.100 0.282 0.000 0.947 713 R CB -0.713 29.735 30.300 0.245 0.000 0.865 713 R HN 0.622 nan 8.270 nan 0.000 0.437 714 I N 0.041 120.776 120.570 0.274 0.000 2.179 714 I HA -0.264 3.904 4.170 -0.003 0.000 0.242 714 I C 2.567 178.809 176.117 0.209 0.000 1.088 714 I CA 1.366 62.873 61.300 0.345 0.000 1.357 714 I CB -0.457 37.701 38.000 0.262 0.000 1.051 714 I HN 0.267 nan 8.210 nan 0.000 0.409 715 A N 0.329 123.226 122.820 0.128 0.000 1.933 715 A HA -0.220 4.098 4.320 -0.003 0.000 0.218 715 A C 2.198 179.831 177.584 0.082 0.000 1.175 715 A CA 1.704 53.783 52.037 0.070 0.000 0.628 715 A CB -0.544 18.491 19.000 0.058 0.000 0.814 715 A HN 0.447 nan 8.150 nan 0.000 0.444 716 E N -0.844 119.440 120.200 0.139 0.000 2.028 716 E HA -0.157 4.192 4.350 -0.003 0.000 0.191 716 E C 1.962 178.582 176.600 0.033 0.000 0.988 716 E CA 1.160 57.665 56.400 0.175 0.000 0.799 716 E CB -0.249 29.663 29.700 0.353 0.000 0.755 716 E HN 0.464 nan 8.360 nan 0.000 0.447 717 L N 1.795 122.920 121.223 -0.164 0.000 2.046 717 L HA -0.188 4.151 4.340 -0.003 0.000 0.208 717 L C 1.810 178.544 176.870 -0.226 0.000 1.077 717 L CA 1.863 56.321 54.840 -0.637 0.000 0.747 717 L CB -0.239 41.338 42.059 -0.804 0.000 0.896 717 L HN -0.075 nan 8.230 nan 0.000 0.432 718 K N -1.052 119.358 120.400 0.016 0.000 2.103 718 K HA -0.253 4.065 4.320 -0.003 0.000 0.207 718 K C 2.166 178.753 176.600 -0.023 0.000 1.048 718 K CA 1.616 57.910 56.287 0.011 0.000 0.930 718 K CB -0.163 32.317 32.500 -0.033 0.000 0.716 718 K HN 0.309 nan 8.250 nan 0.000 0.444 719 Q N 1.089 120.883 119.800 -0.010 0.000 2.050 719 Q HA -0.140 4.199 4.340 -0.003 0.000 0.202 719 Q C 1.921 177.938 176.000 0.028 0.000 0.980 719 Q CA 1.222 57.042 55.803 0.028 0.000 0.840 719 Q CB -0.273 28.495 28.738 0.050 0.000 0.898 719 Q HN 0.210 nan 8.270 nan 0.000 0.424 720 L N -0.054 121.149 121.223 -0.033 0.000 1.994 720 L HA -0.102 4.236 4.340 -0.003 0.000 0.208 720 L C 2.037 178.819 176.870 -0.147 0.000 1.071 720 L CA 1.789 56.590 54.840 -0.065 0.000 0.745 720 L CB -0.684 41.289 42.059 -0.144 0.000 0.892 720 L HN 0.387 nan 8.230 nan 0.000 0.431 721 I N -1.140 119.297 120.570 -0.222 0.000 2.361 721 I HA -0.318 3.850 4.170 -0.003 0.000 0.251 721 I C 2.461 178.308 176.117 -0.449 0.000 1.133 721 I CA 1.363 62.442 61.300 -0.368 0.000 1.413 721 I CB -0.413 37.404 38.000 -0.305 0.000 1.073 721 I HN 0.446 nan 8.210 nan 0.000 0.424 722 H N 1.277 120.197 119.070 -0.250 0.000 2.326 722 H HA -0.182 4.372 4.556 -0.003 0.000 0.301 722 H C 1.771 177.047 175.328 -0.086 0.000 1.081 722 H CA 1.969 57.946 56.048 -0.117 0.000 1.334 722 H CB -0.087 29.648 29.762 -0.046 0.000 1.385 722 H HN 0.204 nan 8.280 nan 0.000 0.504 723 D N -0.030 120.340 120.400 -0.050 0.000 2.149 723 D HA -0.144 4.494 4.640 -0.003 0.000 0.198 723 D C 2.351 178.594 176.300 -0.096 0.000 0.990 723 D CA 1.290 55.254 54.000 -0.060 0.000 0.839 723 D CB -0.268 40.544 40.800 0.021 0.000 0.948 723 D HN 0.476 nan 8.370 nan 0.000 0.460 724 I N 0.096 120.577 120.570 -0.148 0.000 2.252 724 I HA -0.248 3.920 4.170 -0.003 0.000 0.245 724 I C 2.082 178.135 176.117 -0.108 0.000 1.102 724 I CA 1.157 62.369 61.300 -0.146 0.000 1.385 724 I CB -0.253 37.613 38.000 -0.224 0.000 1.064 724 I HN 0.136 nan 8.210 nan 0.000 0.414 725 H N 0.468 119.453 119.070 -0.142 0.000 2.389 725 H HA -0.113 4.442 4.556 -0.003 0.000 0.299 725 H C 2.060 177.283 175.328 -0.175 0.000 1.081 725 H CA 0.847 56.801 56.048 -0.157 0.000 1.345 725 H CB 0.096 29.767 29.762 -0.152 0.000 1.393 725 H HN 0.201 nan 8.280 nan 0.000 0.520 726 K N 0.541 120.874 120.400 -0.112 0.000 2.280 726 K HA -0.043 4.276 4.320 -0.003 0.000 0.202 726 K C 1.378 177.939 176.600 -0.064 0.000 1.047 726 K CA 0.674 56.890 56.287 -0.118 0.000 0.942 726 K CB 0.252 32.656 32.500 -0.160 0.000 0.739 726 K HN 0.227 nan 8.250 nan 0.000 0.457 727 R N -0.106 120.361 120.500 -0.054 0.000 2.356 727 R HA 0.082 4.420 4.340 -0.003 0.000 0.234 727 R C 0.644 176.914 176.300 -0.050 0.000 0.929 727 R CA 0.612 56.686 56.100 -0.043 0.000 1.084 727 R CB 0.340 30.618 30.300 -0.035 0.000 1.105 727 R HN 0.328 nan 8.270 nan 0.000 0.515 728 G N 1.609 110.379 108.800 -0.050 0.000 2.198 728 G HA2 -0.306 3.653 3.960 -0.003 0.000 0.260 728 G HA3 -0.306 3.653 3.960 -0.003 0.000 0.260 728 G C 0.109 174.947 174.900 -0.103 0.000 1.025 728 G CA 0.705 45.767 45.100 -0.062 0.000 0.769 728 G HN 0.268 nan 8.290 nan 0.000 0.507 729 M N -1.280 118.259 119.600 -0.102 0.000 2.792 729 M HA 0.736 5.214 4.480 -0.003 0.000 0.290 729 M C 0.700 176.909 176.300 -0.153 0.000 1.155 729 M CA -0.232 54.956 55.300 -0.187 0.000 0.781 729 M CB 2.043 34.551 32.600 -0.153 0.000 1.741 729 M HN 0.358 nan 8.290 nan 0.000 0.473 730 G N -0.145 108.490 108.800 -0.275 0.000 2.725 730 G HA2 0.707 4.665 3.960 -0.003 0.000 0.288 730 G HA3 0.707 4.665 3.960 -0.003 0.000 0.288 730 G C -1.591 173.297 174.900 -0.021 0.000 1.399 730 G CA -0.705 44.346 45.100 -0.083 0.000 0.859 730 G HN 0.643 nan 8.290 nan 0.000 0.479 731 V N -1.399 118.529 119.914 0.023 0.000 2.630 731 V HA 0.765 4.884 4.120 -0.003 0.000 0.305 731 V C -0.256 175.786 176.094 -0.087 0.000 1.046 731 V CA -0.994 61.259 62.300 -0.079 0.000 0.934 731 V CB 1.535 33.241 31.823 -0.196 0.000 1.003 731 V HN 0.618 nan 8.190 nan 0.000 0.451 732 I N 3.938 124.428 120.570 -0.132 0.000 2.447 732 I HA 0.430 4.599 4.170 -0.003 0.000 0.287 732 I C -0.744 175.235 176.117 -0.231 0.000 1.023 732 I CA -0.457 60.716 61.300 -0.212 0.000 1.083 732 I CB 2.005 39.944 38.000 -0.101 0.000 1.245 732 I HN 0.448 nan 8.210 nan 0.000 0.434 733 L N 5.273 126.282 121.223 -0.357 0.000 2.264 733 L HA 0.326 4.664 4.340 -0.003 0.000 0.289 733 L C 0.059 176.888 176.870 -0.069 0.000 1.044 733 L CA -0.553 54.157 54.840 -0.217 0.000 0.807 733 L CB 1.022 42.946 42.059 -0.225 0.000 1.192 733 L HN 0.521 nan 8.230 nan 0.000 0.425 734 D N 3.348 123.722 120.400 -0.043 0.000 2.417 734 D HA 0.265 4.903 4.640 -0.003 0.000 0.250 734 D C -0.712 175.576 176.300 -0.019 0.000 1.166 734 D CA 0.050 54.058 54.000 0.014 0.000 0.881 734 D CB 1.230 42.049 40.800 0.031 0.000 1.164 734 D HN 0.212 nan 8.370 nan 0.000 0.467 735 V N 1.313 121.198 119.914 -0.048 0.000 2.789 735 V HA 0.567 4.685 4.120 -0.003 0.000 0.311 735 V C -0.118 175.893 176.094 -0.139 0.000 1.073 735 V CA -0.932 61.260 62.300 -0.180 0.000 0.921 735 V CB 1.980 33.625 31.823 -0.296 0.000 1.009 735 V HN 0.206 nan 8.190 nan 0.000 0.426 736 V N 4.596 124.401 119.914 -0.183 0.000 2.326 736 V HA 0.296 4.414 4.120 -0.003 0.000 0.254 736 V C 0.101 176.242 176.094 0.079 0.000 1.022 736 V CA -0.058 62.275 62.300 0.054 0.000 1.074 736 V CB -0.508 31.387 31.823 0.120 0.000 1.305 736 V HN 0.965 nan 8.190 nan 0.000 0.506 737 Y N 1.598 122.037 120.300 0.231 0.000 2.475 737 Y HA -0.104 4.444 4.550 -0.003 0.000 0.289 737 Y C 2.319 178.378 175.900 0.264 0.000 1.121 737 Y CA 1.182 59.307 58.100 0.042 0.000 1.257 737 Y CB -0.508 37.872 38.460 -0.134 0.000 1.026 737 Y HN 0.704 nan 8.280 nan 0.000 0.555 738 N N -0.067 118.920 118.700 0.479 0.000 2.137 738 N HA -0.200 4.538 4.740 -0.003 0.000 0.190 738 N C 0.521 176.195 175.510 0.272 0.000 1.017 738 N CA 1.896 55.055 53.050 0.181 0.000 0.859 738 N CB -0.422 38.183 38.487 0.197 0.000 1.002 738 N HN 0.429 nan 8.380 nan 0.000 0.428 739 H N -2.576 116.637 119.070 0.239 0.000 3.008 739 H HA 0.456 5.010 4.556 -0.003 0.000 0.354 739 H C -1.310 174.182 175.328 0.274 0.000 1.252 739 H CA -0.550 55.643 56.048 0.242 0.000 1.117 739 H CB 1.046 30.997 29.762 0.314 0.000 1.857 739 H HN 0.122 nan 8.280 nan 0.000 0.547 740 T N -2.252 112.377 114.554 0.125 0.000 2.950 740 T HA 0.612 4.960 4.350 -0.003 0.000 0.288 740 T C 1.368 176.102 174.700 0.058 0.000 1.035 740 T CA -0.310 61.811 62.100 0.035 0.000 1.028 740 T CB 1.844 70.840 68.868 0.213 0.000 1.109 740 T HN 0.785 nan 8.240 nan 0.000 0.514 741 A N 1.014 123.808 122.820 -0.043 0.000 1.883 741 A HA 0.067 4.385 4.320 -0.003 0.000 0.217 741 A C 0.922 178.385 177.584 -0.201 0.000 1.186 741 A CA 1.125 53.124 52.037 -0.062 0.000 0.624 741 A CB -0.387 18.529 19.000 -0.139 0.000 0.822 741 A HN 0.651 nan 8.150 nan 0.000 0.444 742 K N -1.070 119.105 120.400 -0.374 0.000 2.443 742 K HA 0.368 4.686 4.320 -0.003 0.000 0.252 742 K C 0.429 176.791 176.600 -0.396 0.000 0.933 742 K CA -0.118 55.809 56.287 -0.599 0.000 0.792 742 K CB 1.368 33.002 32.500 -1.443 0.000 1.185 742 K HN 0.156 nan 8.250 nan 0.000 0.425 743 T N 1.166 115.570 114.554 -0.251 0.000 2.737 743 T HA -0.205 4.144 4.350 -0.003 0.000 0.269 743 T C 1.696 176.440 174.700 0.074 0.000 1.040 743 T CA 2.038 64.056 62.100 -0.137 0.000 1.142 743 T CB -0.428 68.360 68.868 -0.134 0.000 0.861 743 T HN 0.672 nan 8.240 nan 0.000 0.456 744 Y N 1.405 121.766 120.300 0.102 0.000 2.403 744 Y HA 0.083 4.631 4.550 -0.003 0.000 0.291 744 Y C 1.882 177.854 175.900 0.119 0.000 1.143 744 Y CA -0.066 58.105 58.100 0.119 0.000 1.257 744 Y CB -1.397 37.101 38.460 0.063 0.000 0.984 744 Y HN 0.130 nan 8.280 nan 0.000 0.550 745 L N -1.067 120.215 121.223 0.099 0.000 2.021 745 L HA -0.239 4.099 4.340 -0.003 0.000 0.215 745 L C 1.863 178.691 176.870 -0.070 0.000 1.074 745 L CA 1.938 56.807 54.840 0.048 0.000 0.760 745 L CB -0.500 41.526 42.059 -0.055 0.000 0.889 745 L HN 0.240 nan 8.230 nan 0.000 0.433 746 F N -1.892 118.154 119.950 0.161 0.000 2.653 746 F HA 0.013 4.539 4.527 -0.003 0.000 0.288 746 F C 2.397 178.364 175.800 0.279 0.000 1.121 746 F CA 0.174 58.214 58.000 0.066 0.000 1.384 746 F CB 0.101 38.964 39.000 -0.227 0.000 1.115 746 F HN -0.093 nan 8.300 nan 0.000 0.599 747 E N 0.784 121.327 120.200 0.572 0.000 2.150 747 E HA -0.165 4.184 4.350 -0.003 0.000 0.193 747 E C 1.561 178.366 176.600 0.341 0.000 0.985 747 E CA 1.423 58.119 56.400 0.493 0.000 0.814 747 E CB -0.189 29.794 29.700 0.471 0.000 0.752 747 E HN 0.149 nan 8.360 nan 0.000 0.466 748 D N -0.173 120.399 120.400 0.287 0.000 2.144 748 D HA -0.141 4.497 4.640 -0.003 0.000 0.199 748 D C 1.901 178.297 176.300 0.160 0.000 0.984 748 D CA 0.961 55.074 54.000 0.188 0.000 0.834 748 D CB -0.091 40.797 40.800 0.146 0.000 0.955 748 D HN 0.324 nan 8.370 nan 0.000 0.465 749 I N -0.264 120.425 120.570 0.199 0.000 2.202 749 I HA -0.160 4.008 4.170 -0.003 0.000 0.242 749 I C 0.657 176.906 176.117 0.220 0.000 1.091 749 I CA 0.797 62.212 61.300 0.192 0.000 1.368 749 I CB 0.151 38.304 38.000 0.255 0.000 1.058 749 I HN -0.120 nan 8.210 nan 0.000 0.410 750 E N 0.708 121.121 120.200 0.355 0.000 2.361 750 E HA 0.340 4.688 4.350 -0.003 0.000 0.270 750 E C -2.659 174.133 176.600 0.321 0.000 0.911 750 E CA -2.335 54.217 56.400 0.253 0.000 0.818 750 E CB 1.382 31.197 29.700 0.191 0.000 1.332 750 E HN -0.158 nan 8.360 nan 0.000 0.402 751 P HA 0.199 nan 4.420 nan 0.000 0.272 751 P C -0.781 176.688 177.300 0.281 0.000 1.223 751 P CA -0.082 63.174 63.100 0.259 0.000 0.784 751 P CB 0.424 32.237 31.700 0.188 0.000 0.923 752 N N 0.220 119.100 118.700 0.299 0.000 2.696 752 N HA -0.264 4.474 4.740 -0.003 0.000 0.256 752 N C -0.400 175.334 175.510 0.372 0.000 1.031 752 N CA 0.951 54.177 53.050 0.293 0.000 0.730 752 N CB -1.656 36.971 38.487 0.233 0.000 0.894 752 N HN 0.666 nan 8.380 nan 0.000 0.544 753 Y N -1.136 119.300 120.300 0.227 0.000 3.315 753 Y HA 0.121 4.670 4.550 -0.003 0.000 0.189 753 Y C 1.272 177.261 175.900 0.150 0.000 0.984 753 Y CA 0.059 58.264 58.100 0.176 0.000 1.679 753 Y CB -0.451 38.085 38.460 0.127 0.000 1.450 753 Y HN 0.001 nan 8.280 nan 0.000 0.351 754 Y N 1.334 121.699 120.300 0.109 0.000 2.293 754 Y HA -0.023 4.525 4.550 -0.003 0.000 0.291 754 Y C 0.669 176.254 175.900 -0.525 0.000 1.137 754 Y CA 1.762 59.733 58.100 -0.215 0.000 1.202 754 Y CB -0.565 37.791 38.460 -0.173 0.000 0.990 754 Y HN 0.208 nan 8.280 nan 0.000 0.537 755 H N -1.929 117.165 119.070 0.039 0.000 2.488 755 H HA 0.227 4.782 4.556 -0.003 0.000 0.347 755 H C -0.492 174.724 175.328 -0.187 0.000 1.174 755 H CA -1.204 54.776 56.048 -0.114 0.000 1.307 755 H CB 0.446 30.235 29.762 0.045 0.000 1.517 755 H HN -0.207 nan 8.280 nan 0.000 0.554 756 F N 1.105 121.007 119.950 -0.081 0.000 2.589 756 F HA 0.064 4.589 4.527 -0.003 0.000 0.352 756 F C 0.442 176.256 175.800 0.024 0.000 1.168 756 F CA 0.613 58.536 58.000 -0.129 0.000 1.353 756 F CB 0.157 39.032 39.000 -0.208 0.000 1.116 756 F HN 0.317 nan 8.300 nan 0.000 0.608 757 M N 2.091 121.865 119.600 0.291 0.000 2.619 757 M HA 0.332 4.811 4.480 -0.003 0.000 0.297 757 M C -0.440 175.951 176.300 0.153 0.000 1.229 757 M CA -0.858 54.573 55.300 0.218 0.000 0.860 757 M CB 2.016 34.773 32.600 0.261 0.000 1.741 757 M HN 0.447 nan 8.290 nan 0.000 0.462 758 N N 0.693 119.464 118.700 0.117 0.000 2.434 758 N HA 0.148 4.887 4.740 -0.003 0.000 0.266 758 N C 0.051 175.621 175.510 0.100 0.000 1.223 758 N CA -0.190 52.910 53.050 0.083 0.000 0.972 758 N CB 0.814 39.335 38.487 0.056 0.000 1.207 758 N HN 0.659 nan 8.380 nan 0.000 0.525 759 E N -0.065 120.181 120.200 0.076 0.000 2.333 759 E HA -0.171 4.178 4.350 -0.003 0.000 0.198 759 E C 0.179 176.818 176.600 0.065 0.000 1.007 759 E CA 0.878 57.322 56.400 0.074 0.000 0.845 759 E CB 0.040 29.771 29.700 0.051 0.000 0.766 759 E HN 0.513 nan 8.360 nan 0.000 0.507 760 D N -1.380 119.057 120.400 0.061 0.000 2.339 760 D HA 0.046 4.684 4.640 -0.003 0.000 0.217 760 D C 1.293 177.636 176.300 0.072 0.000 1.050 760 D CA 0.674 54.705 54.000 0.052 0.000 0.856 760 D CB 0.432 41.255 40.800 0.038 0.000 0.922 760 D HN 0.175 nan 8.370 nan 0.000 0.518 761 G N 0.057 108.919 108.800 0.103 0.000 2.234 761 G HA2 -0.285 3.673 3.960 -0.003 0.000 0.235 761 G HA3 -0.285 3.673 3.960 -0.003 0.000 0.235 761 G C 0.396 175.381 174.900 0.142 0.000 0.997 761 G CA 0.233 45.414 45.100 0.134 0.000 0.623 761 G HN 0.600 nan 8.290 nan 0.000 0.514 762 S N 3.155 118.922 115.700 0.112 0.000 2.552 762 S HA 0.473 4.941 4.470 -0.003 0.000 0.289 762 S C -1.749 172.924 174.600 0.121 0.000 1.304 762 S CA -0.117 58.147 58.200 0.105 0.000 1.063 762 S CB 0.849 64.092 63.200 0.072 0.000 0.848 762 S HN 0.381 nan 8.310 nan 0.000 0.499 763 P HA 0.220 nan 4.420 nan 0.000 0.280 763 P C -0.760 176.575 177.300 0.058 0.000 1.244 763 P CA -0.360 62.820 63.100 0.134 0.000 0.784 763 P CB 0.466 32.246 31.700 0.134 0.000 0.913 764 R N 2.333 122.876 120.500 0.072 0.000 2.543 764 R HA 0.274 4.613 4.340 -0.003 0.000 0.277 764 R C 0.546 176.833 176.300 -0.022 0.000 1.074 764 R CA 0.018 56.132 56.100 0.022 0.000 1.076 764 R CB 0.648 30.967 30.300 0.032 0.000 0.993 764 R HN 0.523 nan 8.270 nan 0.000 0.459 765 E N 0.217 120.386 120.200 -0.052 0.000 2.336 765 E HA 0.378 4.727 4.350 -0.003 0.000 0.267 765 E C -1.185 175.353 176.600 -0.104 0.000 0.906 765 E CA -0.703 55.654 56.400 -0.072 0.000 0.781 765 E CB 2.443 32.102 29.700 -0.068 0.000 1.261 765 E HN 0.319 nan 8.360 nan 0.000 0.436 766 S N 1.202 116.841 115.700 -0.101 0.000 2.649 766 S HA 0.400 4.869 4.470 -0.003 0.000 0.274 766 S C -1.137 173.353 174.600 -0.183 0.000 1.176 766 S CA -0.466 57.556 58.200 -0.297 0.000 0.988 766 S CB 0.027 63.063 63.200 -0.272 0.000 1.071 766 S HN 0.645 nan 8.310 nan 0.000 0.478 767 F N 2.031 121.895 119.950 -0.142 0.000 2.965 767 F HA -0.161 4.365 4.527 -0.003 0.000 0.287 767 F C 1.348 177.136 175.800 -0.021 0.000 0.790 767 F CA 0.906 58.838 58.000 -0.113 0.000 1.279 767 F CB -1.742 37.131 39.000 -0.213 0.000 1.409 767 F HN 1.257 nan 8.300 nan 0.000 0.446 768 G N -0.368 108.479 108.800 0.078 0.000 2.249 768 G HA2 0.184 4.142 3.960 -0.003 0.000 0.273 768 G HA3 0.184 4.142 3.960 -0.003 0.000 0.273 768 G C 0.500 175.432 174.900 0.054 0.000 1.036 768 G CA 0.433 45.571 45.100 0.062 0.000 0.824 768 G HN 1.616 nan 8.290 nan 0.000 0.504 769 G N -1.729 107.121 108.800 0.083 0.000 2.672 769 G HA2 0.814 4.773 3.960 -0.003 0.000 0.292 769 G HA3 0.814 4.773 3.960 -0.003 0.000 0.292 769 G C 0.093 175.022 174.900 0.049 0.000 1.375 769 G CA 0.089 45.248 45.100 0.099 0.000 0.890 769 G HN 1.214 nan 8.290 nan 0.000 0.476 770 G N -0.231 108.566 108.800 -0.006 0.000 2.372 770 G HA2 0.503 4.461 3.960 -0.003 0.000 0.283 770 G HA3 0.503 4.461 3.960 -0.003 0.000 0.283 770 G C -0.081 174.873 174.900 0.091 0.000 1.177 770 G CA -0.657 44.312 45.100 -0.218 0.000 0.842 770 G HN 0.544 nan 8.290 nan 0.000 0.503 771 R N 1.626 122.166 120.500 0.067 0.000 2.248 771 R HA 0.104 4.442 4.340 -0.003 0.000 0.337 771 R C -0.375 175.971 176.300 0.077 0.000 1.085 771 R CA -0.725 55.457 56.100 0.136 0.000 0.934 771 R CB 0.925 31.309 30.300 0.141 0.000 1.034 771 R HN 0.337 nan 8.270 nan 0.000 0.465 772 L N 3.069 124.289 121.223 -0.005 0.000 2.530 772 L HA 0.094 4.433 4.340 -0.003 0.000 0.273 772 L C 0.642 177.058 176.870 -0.756 0.000 1.141 772 L CA 0.567 55.244 54.840 -0.270 0.000 0.905 772 L CB 0.616 42.535 42.059 -0.234 0.000 1.202 772 L HN 0.679 nan 8.230 nan 0.000 0.473 773 G N 2.873 110.969 108.800 -1.173 0.000 2.821 773 G HA2 0.187 4.145 3.960 -0.003 0.000 0.289 773 G HA3 0.187 4.145 3.960 -0.003 0.000 0.289 773 G C 0.929 174.849 174.900 -1.633 0.000 0.771 773 G CA 0.238 43.895 45.100 -2.403 0.000 1.908 773 G HN 0.836 nan 8.290 nan 0.000 0.539 774 T N -1.188 112.753 114.554 -1.022 0.000 3.284 774 T HA -0.071 4.277 4.350 -0.003 0.000 0.252 774 T C 2.028 176.534 174.700 -0.323 0.000 1.144 774 T CA 0.833 62.642 62.100 -0.485 0.000 1.021 774 T CB -0.160 68.578 68.868 -0.216 0.000 0.984 774 T HN 0.388 nan 8.240 nan 0.000 0.545 775 T N -1.457 112.875 114.554 -0.371 0.000 3.067 775 T HA 0.070 4.418 4.350 -0.003 0.000 0.261 775 T C 0.561 175.175 174.700 -0.144 0.000 1.110 775 T CA -0.041 61.979 62.100 -0.134 0.000 1.113 775 T CB -0.702 68.203 68.868 0.061 0.000 0.917 775 T HN 0.711 nan 8.240 nan 0.000 0.499 776 H N 0.434 119.161 119.070 -0.572 0.000 2.580 776 H HA 0.603 5.158 4.556 -0.003 0.000 0.322 776 H C 1.531 176.782 175.328 -0.129 0.000 1.082 776 H CA -0.640 55.111 56.048 -0.494 0.000 1.383 776 H CB 1.400 30.572 29.762 -0.985 0.000 1.450 776 H HN 0.192 nan 8.280 nan 0.000 0.505 777 A N 4.082 127.045 122.820 0.238 0.000 1.892 777 A HA -0.223 4.095 4.320 -0.003 0.000 0.218 777 A C 2.088 179.712 177.584 0.067 0.000 1.188 777 A CA 1.609 53.733 52.037 0.146 0.000 0.631 777 A CB -0.194 18.904 19.000 0.163 0.000 0.822 777 A HN 0.657 nan 8.150 nan 0.000 0.447 778 M N -0.287 119.363 119.600 0.084 0.000 2.506 778 M HA 0.026 4.504 4.480 -0.003 0.000 0.260 778 M C 2.092 178.503 176.300 0.185 0.000 1.104 778 M CA 1.089 56.359 55.300 -0.050 0.000 1.112 778 M CB -1.217 30.975 32.600 -0.679 0.000 1.401 778 M HN 0.397 nan 8.290 nan 0.000 0.473 779 S N 0.395 116.179 115.700 0.139 0.000 2.371 779 S HA -0.058 4.411 4.470 -0.003 0.000 0.224 779 S C 1.960 176.482 174.600 -0.129 0.000 1.029 779 S CA 0.896 59.095 58.200 -0.001 0.000 0.978 779 S CB -0.182 62.859 63.200 -0.265 0.000 0.833 779 S HN 0.446 nan 8.310 nan 0.000 0.466 780 R N 1.368 121.791 120.500 -0.128 0.000 2.091 780 R HA -0.018 4.321 4.340 -0.003 0.000 0.238 780 R C 2.437 178.673 176.300 -0.107 0.000 1.136 780 R CA 1.174 57.184 56.100 -0.150 0.000 0.959 780 R CB -0.110 30.130 30.300 -0.100 0.000 0.856 780 R HN 0.253 nan 8.270 nan 0.000 0.437 781 R N -0.169 120.329 120.500 -0.003 0.000 2.091 781 R HA -0.117 4.222 4.340 -0.003 0.000 0.238 781 R C 2.272 178.654 176.300 0.137 0.000 1.136 781 R CA 1.693 57.848 56.100 0.091 0.000 0.959 781 R CB -0.399 29.998 30.300 0.162 0.000 0.856 781 R HN 0.138 nan 8.270 nan 0.000 0.437 782 V N 1.697 121.683 119.914 0.120 0.000 2.324 782 V HA -0.278 3.841 4.120 -0.003 0.000 0.250 782 V C 2.301 178.270 176.094 -0.207 0.000 1.060 782 V CA 1.831 64.164 62.300 0.055 0.000 1.042 782 V CB -0.451 31.398 31.823 0.044 0.000 0.650 782 V HN 0.333 nan 8.190 nan 0.000 0.450 783 L N -0.495 120.479 121.223 -0.415 0.000 2.007 783 L HA -0.110 4.228 4.340 -0.003 0.000 0.205 783 L C 2.387 178.917 176.870 -0.567 0.000 1.073 783 L CA 1.564 55.881 54.840 -0.871 0.000 0.744 783 L CB -0.147 41.332 42.059 -0.967 0.000 0.898 783 L HN 0.149 nan 8.230 nan 0.000 0.435 784 V N 0.134 119.856 119.914 -0.319 0.000 2.343 784 V HA -0.272 3.846 4.120 -0.003 0.000 0.247 784 V C 2.139 178.190 176.094 -0.072 0.000 1.051 784 V CA 1.952 64.142 62.300 -0.182 0.000 1.036 784 V CB -0.822 30.942 31.823 -0.100 0.000 0.654 784 V HN 0.497 nan 8.190 nan 0.000 0.451 785 D N 0.697 121.121 120.400 0.040 0.000 2.144 785 D HA -0.118 4.520 4.640 -0.003 0.000 0.199 785 D C 2.450 178.855 176.300 0.175 0.000 0.984 785 D CA 1.778 55.924 54.000 0.243 0.000 0.834 785 D CB -0.294 40.841 40.800 0.558 0.000 0.955 785 D HN 0.613 nan 8.370 nan 0.000 0.465 786 S N 0.638 116.153 115.700 -0.308 0.000 2.368 786 S HA -0.091 4.377 4.470 -0.003 0.000 0.224 786 S C 2.145 176.650 174.600 -0.159 0.000 1.029 786 S CA 0.339 58.144 58.200 -0.658 0.000 0.988 786 S CB -0.317 62.302 63.200 -0.969 0.000 0.838 786 S HN 0.093 nan 8.310 nan 0.000 0.462 787 I N 2.613 123.038 120.570 -0.241 0.000 2.127 787 I HA -0.179 3.990 4.170 -0.003 0.000 0.241 787 I C 2.548 178.628 176.117 -0.061 0.000 1.075 787 I CA 1.597 62.679 61.300 -0.364 0.000 1.334 787 I CB -1.102 36.630 38.000 -0.447 0.000 1.040 787 I HN 0.374 nan 8.210 nan 0.000 0.405 788 K N -0.207 120.214 120.400 0.036 0.000 2.032 788 K HA -0.250 4.068 4.320 -0.003 0.000 0.209 788 K C 2.259 179.010 176.600 0.251 0.000 1.048 788 K CA 1.767 58.141 56.287 0.144 0.000 0.927 788 K CB -0.486 32.105 32.500 0.152 0.000 0.712 788 K HN 0.260 nan 8.250 nan 0.000 0.441 789 Y N 1.703 122.119 120.300 0.194 0.000 2.145 789 Y HA -0.175 4.374 4.550 -0.003 0.000 0.286 789 Y C 1.754 177.847 175.900 0.322 0.000 1.145 789 Y CA 1.347 59.612 58.100 0.275 0.000 1.148 789 Y CB -0.362 38.341 38.460 0.405 0.000 0.981 789 Y HN -0.078 nan 8.280 nan 0.000 0.507 790 L N -0.649 120.665 121.223 0.152 0.000 2.083 790 L HA -0.233 4.105 4.340 -0.003 0.000 0.209 790 L C 2.351 179.402 176.870 0.302 0.000 1.083 790 L CA 1.846 56.813 54.840 0.212 0.000 0.752 790 L CB -0.963 41.310 42.059 0.356 0.000 0.899 790 L HN 0.229 nan 8.230 nan 0.000 0.433 791 T N -0.784 113.998 114.554 0.380 0.000 2.737 791 T HA -0.151 4.197 4.350 -0.003 0.000 0.265 791 T C 2.114 177.020 174.700 0.343 0.000 1.038 791 T CA 1.733 64.082 62.100 0.416 0.000 1.144 791 T CB -0.154 68.949 68.868 0.392 0.000 0.866 791 T HN 0.543 nan 8.240 nan 0.000 0.434 792 S N 0.995 116.824 115.700 0.214 0.000 2.406 792 S HA 0.037 4.505 4.470 -0.003 0.000 0.224 792 S C 1.957 176.524 174.600 -0.056 0.000 1.030 792 S CA 0.771 59.050 58.200 0.131 0.000 0.958 792 S CB -0.173 63.114 63.200 0.144 0.000 0.811 792 S HN 0.326 nan 8.310 nan 0.000 0.489 793 E N 0.875 120.970 120.200 -0.175 0.000 2.122 793 E HA 0.209 4.558 4.350 -0.003 0.000 0.190 793 E C 0.767 177.015 176.600 -0.587 0.000 0.977 793 E CA 0.748 56.890 56.400 -0.430 0.000 0.820 793 E CB -0.251 29.003 29.700 -0.742 0.000 0.770 793 E HN 0.624 nan 8.360 nan 0.000 0.462 794 F N 0.697 120.513 119.950 -0.223 0.000 2.678 794 F HA 0.294 4.819 4.527 -0.003 0.000 0.305 794 F C 0.304 176.010 175.800 -0.156 0.000 1.090 794 F CA -0.225 57.663 58.000 -0.187 0.000 1.272 794 F CB 0.535 39.418 39.000 -0.195 0.000 1.060 794 F HN -0.243 nan 8.300 nan 0.000 0.576 795 K N 0.484 120.832 120.400 -0.086 0.000 3.077 795 K HA -0.169 4.149 4.320 -0.003 0.000 0.264 795 K C -0.280 176.427 176.600 0.179 0.000 1.008 795 K CA 0.145 56.259 56.287 -0.288 0.000 0.740 795 K CB -2.283 29.934 32.500 -0.472 0.000 1.273 795 K HN 0.109 nan 8.250 nan 0.000 0.477 796 V N 1.490 121.539 119.914 0.224 0.000 2.637 796 V HA -0.032 4.086 4.120 -0.003 0.000 0.296 796 V C 1.643 177.819 176.094 0.137 0.000 1.046 796 V CA 0.335 62.675 62.300 0.068 0.000 1.066 796 V CB 1.022 32.732 31.823 -0.189 0.000 0.968 796 V HN 0.252 nan 8.190 nan 0.000 0.483 797 D N 2.974 123.402 120.400 0.048 0.000 2.367 797 D HA 0.233 4.871 4.640 -0.003 0.000 0.207 797 D C 0.640 176.892 176.300 -0.080 0.000 1.034 797 D CA 0.915 54.952 54.000 0.061 0.000 0.861 797 D CB 1.241 42.133 40.800 0.152 0.000 0.943 797 D HN 0.722 nan 8.370 nan 0.000 0.515 798 G N -0.154 108.478 108.800 -0.280 0.000 2.506 798 G HA2 0.486 4.444 3.960 -0.003 0.000 0.292 798 G HA3 0.486 4.444 3.960 -0.003 0.000 0.292 798 G C -1.915 172.615 174.900 -0.617 0.000 1.425 798 G CA -0.802 44.138 45.100 -0.267 0.000 0.788 798 G HN -0.035 nan 8.290 nan 0.000 0.490 799 F N -0.172 119.757 119.950 -0.034 0.000 2.588 799 F HA 0.702 5.228 4.527 -0.003 0.000 0.310 799 F C 0.154 175.892 175.800 -0.105 0.000 1.082 799 F CA -0.989 56.931 58.000 -0.133 0.000 0.929 799 F CB 2.680 41.510 39.000 -0.284 0.000 1.254 799 F HN 0.358 nan 8.300 nan 0.000 0.455 800 R N 3.026 123.556 120.500 0.050 0.000 2.337 800 R HA 0.413 4.751 4.340 -0.003 0.000 0.319 800 R C -1.920 174.410 176.300 0.051 0.000 0.954 800 R CA -0.472 55.693 56.100 0.109 0.000 0.840 800 R CB 0.504 30.908 30.300 0.174 0.000 1.164 800 R HN 0.596 nan 8.270 nan 0.000 0.472 801 F N 2.799 122.852 119.950 0.172 0.000 2.421 801 F HA 0.121 4.646 4.527 -0.003 0.000 0.358 801 F C 0.988 176.882 175.800 0.156 0.000 1.115 801 F CA -0.208 57.892 58.000 0.167 0.000 1.160 801 F CB 0.777 39.848 39.000 0.119 0.000 1.123 801 F HN 0.493 nan 8.300 nan 0.000 0.508 802 D N 4.235 124.827 120.400 0.320 0.000 2.414 802 D HA 0.076 4.714 4.640 -0.003 0.000 0.242 802 D C 0.406 176.868 176.300 0.270 0.000 1.129 802 D CA 0.009 54.154 54.000 0.242 0.000 0.885 802 D CB 0.507 41.449 40.800 0.237 0.000 1.198 802 D HN 0.400 nan 8.370 nan 0.000 0.437 803 M N 3.608 123.309 119.600 0.168 0.000 2.405 803 M HA -0.268 4.210 4.480 -0.003 0.000 0.181 803 M C 0.707 177.116 176.300 0.181 0.000 0.878 803 M CA 0.644 56.043 55.300 0.166 0.000 0.537 803 M CB -1.458 31.272 32.600 0.217 0.000 1.090 803 M HN 0.783 nan 8.290 nan 0.000 0.874 804 M N -0.290 119.391 119.600 0.135 0.000 2.279 804 M HA -0.075 4.404 4.480 -0.003 0.000 0.264 804 M C 1.838 178.209 176.300 0.119 0.000 1.062 804 M CA 2.264 57.676 55.300 0.186 0.000 1.099 804 M CB -0.061 32.572 32.600 0.055 0.000 1.394 804 M HN 0.660 nan 8.290 nan 0.000 0.426 805 G N -0.552 108.273 108.800 0.042 0.000 2.625 805 G HA2 -0.188 3.771 3.960 -0.003 0.000 0.214 805 G HA3 -0.188 3.771 3.960 -0.003 0.000 0.214 805 G C 0.705 175.680 174.900 0.125 0.000 1.132 805 G CA 0.699 45.829 45.100 0.050 0.000 0.782 805 G HN 0.425 nan 8.290 nan 0.000 0.538 806 D N -0.223 120.214 120.400 0.062 0.000 2.269 806 D HA 0.058 4.697 4.640 -0.003 0.000 0.208 806 D C 0.547 176.857 176.300 0.016 0.000 0.963 806 D CA 0.467 54.451 54.000 -0.028 0.000 0.864 806 D CB 0.078 40.789 40.800 -0.149 0.000 0.936 806 D HN 0.468 nan 8.370 nan 0.000 0.505 807 H N 0.354 119.530 119.070 0.178 0.000 2.496 807 H HA 0.202 4.756 4.556 -0.003 0.000 0.342 807 H C 0.156 175.486 175.328 0.004 0.000 1.170 807 H CA -0.917 55.204 56.048 0.121 0.000 1.274 807 H CB 0.719 30.418 29.762 -0.106 0.000 1.538 807 H HN -0.038 nan 8.280 nan 0.000 0.542 808 D N 1.121 121.600 120.400 0.132 0.000 2.455 808 D HA -0.001 4.638 4.640 -0.003 0.000 0.241 808 D C 0.882 176.940 176.300 -0.403 0.000 1.138 808 D CA 0.021 53.913 54.000 -0.179 0.000 0.877 808 D CB 1.311 42.073 40.800 -0.064 0.000 1.187 808 D HN 0.671 nan 8.370 nan 0.000 0.451 809 A N 2.973 125.404 122.820 -0.649 0.000 1.917 809 A HA -0.156 4.162 4.320 -0.003 0.000 0.219 809 A C 2.249 179.478 177.584 -0.592 0.000 1.182 809 A CA 2.545 53.949 52.037 -1.054 0.000 0.633 809 A CB -0.913 17.401 19.000 -1.144 0.000 0.819 809 A HN 0.775 nan 8.150 nan 0.000 0.448 810 A N -0.305 122.323 122.820 -0.321 0.000 1.902 810 A HA 0.136 4.454 4.320 -0.003 0.000 0.217 810 A C 2.533 180.021 177.584 -0.161 0.000 1.181 810 A CA 2.239 54.180 52.037 -0.160 0.000 0.623 810 A CB -1.069 17.878 19.000 -0.089 0.000 0.818 810 A HN 1.140 nan 8.150 nan 0.000 0.443 811 A N 0.004 122.700 122.820 -0.207 0.000 1.877 811 A HA -0.082 4.237 4.320 -0.003 0.000 0.216 811 A C 1.992 179.404 177.584 -0.286 0.000 1.186 811 A CA 1.736 53.638 52.037 -0.225 0.000 0.620 811 A CB -0.489 18.367 19.000 -0.240 0.000 0.822 811 A HN 0.419 nan 8.150 nan 0.000 0.443 812 I N -0.295 120.037 120.570 -0.397 0.000 2.353 812 I HA -0.146 4.022 4.170 -0.003 0.000 0.248 812 I C 2.360 178.412 176.117 -0.109 0.000 1.119 812 I CA 1.721 62.761 61.300 -0.433 0.000 1.417 812 I CB -1.445 36.167 38.000 -0.647 0.000 1.078 812 I HN 0.424 nan 8.210 nan 0.000 0.421 813 E N 1.549 121.739 120.200 -0.015 0.000 2.058 813 E HA -0.243 4.106 4.350 -0.003 0.000 0.194 813 E C 2.138 178.813 176.600 0.125 0.000 0.997 813 E CA 1.284 57.787 56.400 0.172 0.000 0.801 813 E CB -0.400 29.414 29.700 0.191 0.000 0.746 813 E HN 0.264 nan 8.360 nan 0.000 0.450 814 L N 0.317 121.557 121.223 0.029 0.000 2.042 814 L HA -0.083 4.255 4.340 -0.003 0.000 0.210 814 L C 2.190 179.065 176.870 0.008 0.000 1.076 814 L CA 2.275 57.124 54.840 0.015 0.000 0.749 814 L CB -1.110 40.933 42.059 -0.026 0.000 0.893 814 L HN 0.211 nan 8.230 nan 0.000 0.432 815 A N -1.187 121.612 122.820 -0.035 0.000 1.873 815 A HA -0.337 3.981 4.320 -0.003 0.000 0.218 815 A C 2.327 179.944 177.584 0.055 0.000 1.193 815 A CA 2.173 54.187 52.037 -0.039 0.000 0.629 815 A CB -1.355 17.591 19.000 -0.089 0.000 0.826 815 A HN 0.652 nan 8.150 nan 0.000 0.447 816 Y N 0.732 121.039 120.300 0.012 0.000 2.089 816 Y HA -0.257 4.291 4.550 -0.003 0.000 0.282 816 Y C 2.416 178.336 175.900 0.033 0.000 1.139 816 Y CA 2.711 60.843 58.100 0.055 0.000 1.123 816 Y CB -0.337 38.164 38.460 0.067 0.000 0.980 816 Y HN 0.269 nan 8.280 nan 0.000 0.493 817 K N 0.785 121.262 120.400 0.130 0.000 2.059 817 K HA -0.233 4.085 4.320 -0.003 0.000 0.212 817 K C 1.849 178.409 176.600 -0.067 0.000 1.050 817 K CA 2.308 58.609 56.287 0.023 0.000 0.927 817 K CB -0.496 32.058 32.500 0.090 0.000 0.714 817 K HN 0.407 nan 8.250 nan 0.000 0.447 818 E N -0.120 120.060 120.200 -0.033 0.000 2.051 818 E HA -0.129 4.220 4.350 -0.003 0.000 0.192 818 E C 2.036 178.609 176.600 -0.046 0.000 0.991 818 E CA 1.377 57.761 56.400 -0.027 0.000 0.799 818 E CB -0.484 29.211 29.700 -0.008 0.000 0.748 818 E HN 0.448 nan 8.360 nan 0.000 0.449 819 A N 1.453 124.232 122.820 -0.069 0.000 1.933 819 A HA -0.185 4.133 4.320 -0.003 0.000 0.218 819 A C 2.143 179.643 177.584 -0.139 0.000 1.175 819 A CA 1.657 53.666 52.037 -0.046 0.000 0.628 819 A CB -0.344 18.662 19.000 0.009 0.000 0.814 819 A HN 0.104 nan 8.150 nan 0.000 0.444 820 K N -0.378 119.848 120.400 -0.291 0.000 2.103 820 K HA -0.016 4.302 4.320 -0.003 0.000 0.204 820 K C 2.199 178.683 176.600 -0.193 0.000 1.052 820 K CA 0.962 57.046 56.287 -0.337 0.000 0.945 820 K CB -0.302 31.860 32.500 -0.565 0.000 0.722 820 K HN 0.360 nan 8.250 nan 0.000 0.443 821 A N 1.313 124.054 122.820 -0.131 0.000 1.917 821 A HA -0.205 4.114 4.320 -0.003 0.000 0.219 821 A C 2.013 179.568 177.584 -0.049 0.000 1.182 821 A CA 1.728 53.725 52.037 -0.067 0.000 0.633 821 A CB -0.540 18.441 19.000 -0.032 0.000 0.819 821 A HN 0.293 nan 8.150 nan 0.000 0.448 822 I N -0.614 119.933 120.570 -0.038 0.000 2.193 822 I HA -0.092 4.077 4.170 -0.003 0.000 0.240 822 I C 0.890 176.940 176.117 -0.111 0.000 1.084 822 I CA 1.106 62.412 61.300 0.010 0.000 1.365 822 I CB -0.206 37.856 38.000 0.105 0.000 1.064 822 I HN 0.358 nan 8.210 nan 0.000 0.410 823 N N 0.225 118.743 118.700 -0.302 0.000 2.569 823 N HA 0.225 4.964 4.740 -0.003 0.000 0.254 823 N C -2.135 173.158 175.510 -0.361 0.000 1.004 823 N CA -2.336 50.328 53.050 -0.643 0.000 0.904 823 N CB 1.534 39.327 38.487 -1.157 0.000 1.165 823 N HN -0.219 nan 8.380 nan 0.000 0.513 824 P HA -0.073 nan 4.420 nan 0.000 0.216 824 P C -0.147 177.091 177.300 -0.103 0.000 1.150 824 P CA 1.408 64.423 63.100 -0.141 0.000 0.843 824 P CB 0.126 31.775 31.700 -0.085 0.000 0.787 825 N N -1.252 117.390 118.700 -0.096 0.000 2.413 825 N HA 0.066 4.804 4.740 -0.003 0.000 0.207 825 N C 0.356 175.898 175.510 0.054 0.000 1.206 825 N CA -0.401 52.684 53.050 0.059 0.000 0.832 825 N CB -0.511 38.071 38.487 0.159 0.000 1.037 825 N HN 0.094 nan 8.380 nan 0.000 0.467 826 M N 1.615 121.170 119.600 -0.074 0.000 2.248 826 M HA 0.113 4.591 4.480 -0.003 0.000 0.345 826 M C -0.968 175.383 176.300 0.084 0.000 1.243 826 M CA 0.297 55.567 55.300 -0.051 0.000 1.090 826 M CB 0.206 32.711 32.600 -0.159 0.000 1.683 826 M HN -0.070 nan 8.290 nan 0.000 0.450 827 I N 6.699 127.337 120.570 0.114 0.000 2.498 827 I HA 0.458 4.626 4.170 -0.003 0.000 0.290 827 I C -0.930 175.291 176.117 0.174 0.000 1.032 827 I CA -0.439 60.952 61.300 0.151 0.000 1.073 827 I CB 1.685 39.722 38.000 0.062 0.000 1.251 827 I HN 0.800 nan 8.210 nan 0.000 0.426 828 M N 7.647 127.391 119.600 0.240 0.000 2.327 828 M HA 0.584 5.062 4.480 -0.003 0.000 0.298 828 M C -0.506 175.881 176.300 0.146 0.000 1.065 828 M CA -0.601 54.869 55.300 0.284 0.000 0.916 828 M CB 2.880 35.770 32.600 0.483 0.000 1.630 828 M HN 0.449 nan 8.290 nan 0.000 0.442 829 I N -0.973 119.670 120.570 0.122 0.000 3.206 829 I HA 1.131 5.299 4.170 -0.003 0.000 0.313 829 I C -0.397 175.783 176.117 0.105 0.000 1.103 829 I CA -0.833 60.451 61.300 -0.026 0.000 0.985 829 I CB 2.592 40.442 38.000 -0.250 0.000 1.240 829 I HN 0.698 nan 8.210 nan 0.000 0.464 830 G N 0.971 109.749 108.800 -0.037 0.000 2.547 830 G HA2 0.294 4.252 3.960 -0.003 0.000 0.291 830 G HA3 0.294 4.252 3.960 -0.003 0.000 0.291 830 G C -1.891 172.990 174.900 -0.031 0.000 1.471 830 G CA -0.775 44.390 45.100 0.108 0.000 0.798 830 G HN 0.711 nan 8.290 nan 0.000 0.504 831 E N 0.349 120.514 120.200 -0.058 0.000 2.104 831 E HA 0.351 4.700 4.350 -0.003 0.000 0.278 831 E C 0.889 177.090 176.600 -0.665 0.000 1.127 831 E CA 0.016 56.069 56.400 -0.579 0.000 0.897 831 E CB 1.139 30.458 29.700 -0.635 0.000 1.043 831 E HN 0.553 nan 8.360 nan 0.000 0.410 832 G N 4.051 112.414 108.800 -0.728 0.000 3.496 832 G HA2 0.008 3.966 3.960 -0.003 0.000 0.273 832 G HA3 0.008 3.966 3.960 -0.003 0.000 0.273 832 G C -0.296 174.469 174.900 -0.224 0.000 1.279 832 G CA -0.640 44.223 45.100 -0.396 0.000 1.041 832 G HN 0.479 nan 8.290 nan 0.000 0.539 833 W N 0.289 121.595 121.300 0.010 0.000 2.223 833 W HA 0.295 4.954 4.660 -0.003 0.000 0.334 833 W C 0.725 177.254 176.519 0.018 0.000 1.334 833 W CA -1.323 56.030 57.345 0.013 0.000 1.246 833 W CB 0.803 30.272 29.460 0.014 0.000 1.184 833 W HN -0.022 nan 8.180 nan 0.000 0.563 834 R N 2.251 122.905 120.500 0.256 0.000 2.853 834 R HA 0.015 4.354 4.340 -0.003 0.000 0.238 834 R C 0.903 177.290 176.300 0.145 0.000 1.538 834 R CA 0.405 56.597 56.100 0.154 0.000 1.166 834 R CB -0.490 29.882 30.300 0.120 0.000 1.201 834 R HN 0.575 nan 8.270 nan 0.000 0.606 835 T N -2.247 112.397 114.554 0.150 0.000 3.040 835 T HA 0.069 4.418 4.350 -0.003 0.000 0.266 835 T C 0.379 175.112 174.700 0.055 0.000 1.005 835 T CA -0.507 61.653 62.100 0.099 0.000 0.906 835 T CB 0.013 68.949 68.868 0.115 0.000 1.082 835 T HN 0.253 nan 8.240 nan 0.000 0.531 836 F N 3.240 123.153 119.950 -0.062 0.000 2.623 836 F HA 0.143 4.668 4.527 -0.003 0.000 0.386 836 F C 1.259 176.961 175.800 -0.165 0.000 1.068 836 F CA 0.360 58.282 58.000 -0.131 0.000 1.265 836 F CB 0.739 39.654 39.000 -0.142 0.000 1.026 836 F HN -0.032 nan 8.300 nan 0.000 0.568 837 Q N 4.330 123.494 119.800 -1.059 0.000 2.644 837 Q HA 0.284 4.622 4.340 -0.003 0.000 0.220 837 Q C 1.361 176.603 176.000 -1.262 0.000 0.866 837 Q CA 0.826 56.125 55.803 -0.840 0.000 0.915 837 Q CB -0.451 27.975 28.738 -0.520 0.000 1.191 837 Q HN 0.996 nan 8.270 nan 0.000 0.641 838 G N 2.319 109.931 108.800 -1.980 0.000 2.645 838 G HA2 -0.215 3.744 3.960 -0.003 0.000 0.246 838 G HA3 -0.215 3.744 3.960 -0.003 0.000 0.246 838 G C -0.716 173.558 174.900 -1.044 0.000 1.322 838 G CA -0.007 43.750 45.100 -2.237 0.000 0.898 838 G HN 0.236 nan 8.290 nan 0.000 0.573 839 D N 0.459 120.597 120.400 -0.438 0.000 2.350 839 D HA 0.289 4.927 4.640 -0.003 0.000 0.249 839 D C 1.410 177.706 176.300 -0.006 0.000 1.119 839 D CA 0.249 54.262 54.000 0.022 0.000 0.886 839 D CB 1.455 42.450 40.800 0.323 0.000 1.195 839 D HN 0.640 nan 8.370 nan 0.000 0.437 840 Q N 2.323 122.138 119.800 0.025 0.000 1.991 840 Q HA -0.205 4.133 4.340 -0.003 0.000 0.213 840 Q C 1.451 177.466 176.000 0.024 0.000 1.022 840 Q CA 2.381 58.188 55.803 0.007 0.000 0.877 840 Q CB -0.323 28.434 28.738 0.032 0.000 0.970 840 Q HN 0.649 nan 8.270 nan 0.000 0.414 841 G N -0.621 108.216 108.800 0.061 0.000 3.314 841 G HA2 0.126 4.085 3.960 -0.003 0.000 0.238 841 G HA3 0.126 4.085 3.960 -0.003 0.000 0.238 841 G C -0.507 174.441 174.900 0.080 0.000 1.184 841 G CA -0.302 44.833 45.100 0.059 0.000 0.806 841 G HN 0.143 nan 8.290 nan 0.000 0.536 842 K N 1.717 122.182 120.400 0.109 0.000 2.624 842 K HA 0.304 4.622 4.320 -0.003 0.000 0.200 842 K C -2.732 173.959 176.600 0.151 0.000 1.036 842 K CA -1.389 54.987 56.287 0.148 0.000 1.029 842 K CB 2.053 34.701 32.500 0.247 0.000 1.317 842 K HN 0.029 nan 8.250 nan 0.000 0.555 843 P HA 0.224 nan 4.420 nan 0.000 0.274 843 P C -0.677 176.650 177.300 0.045 0.000 1.231 843 P CA -0.554 62.616 63.100 0.117 0.000 0.790 843 P CB 1.013 32.748 31.700 0.058 0.000 0.951 844 V N 0.933 120.783 119.914 -0.107 0.000 3.178 844 V HA 0.261 4.379 4.120 -0.003 0.000 0.302 844 V C -0.161 175.637 176.094 -0.493 0.000 1.262 844 V CA -1.046 61.116 62.300 -0.231 0.000 1.030 844 V CB 2.523 34.261 31.823 -0.142 0.000 1.074 844 V HN 0.457 nan 8.190 nan 0.000 0.438 845 K N 3.242 123.426 120.400 -0.359 0.000 2.447 845 K HA 0.246 4.564 4.320 -0.003 0.000 0.281 845 K C -2.500 173.740 176.600 -0.601 0.000 1.031 845 K CA -0.941 55.112 56.287 -0.389 0.000 1.019 845 K CB 0.974 33.325 32.500 -0.247 0.000 0.918 845 K HN 0.313 nan 8.250 nan 0.000 0.476 846 P HA 0.165 nan 4.420 nan 0.000 0.283 846 P C -1.358 175.618 177.300 -0.541 0.000 1.271 846 P CA -0.566 62.165 63.100 -0.615 0.000 0.841 846 P CB 1.228 32.644 31.700 -0.473 0.000 1.122 847 A N 1.135 123.635 122.820 -0.533 0.000 3.118 847 A HA 0.353 4.671 4.320 -0.003 0.000 0.256 847 A C -0.045 177.444 177.584 -0.157 0.000 1.667 847 A CA 0.041 51.679 52.037 -0.664 0.000 1.338 847 A CB -1.675 16.892 19.000 -0.722 0.000 1.127 847 A HN 0.573 nan 8.150 nan 0.000 0.634 848 D N -1.810 118.563 120.400 -0.045 0.000 2.727 848 D HA 0.205 4.843 4.640 -0.003 0.000 0.264 848 D C 0.848 177.116 176.300 -0.053 0.000 1.101 848 D CA -0.569 53.408 54.000 -0.037 0.000 1.122 848 D CB 0.126 40.910 40.800 -0.027 0.000 1.390 848 D HN 0.065 nan 8.370 nan 0.000 0.606 849 Q N -0.855 118.820 119.800 -0.208 0.000 2.152 849 Q HA -0.148 4.190 4.340 -0.003 0.000 0.206 849 Q C 0.680 176.532 176.000 -0.246 0.000 0.985 849 Q CA 1.752 57.245 55.803 -0.518 0.000 0.863 849 Q CB -0.131 28.227 28.738 -0.634 0.000 0.904 849 Q HN 0.476 nan 8.270 nan 0.000 0.422 850 D N -0.847 119.538 120.400 -0.025 0.000 2.348 850 D HA -0.124 4.514 4.640 -0.003 0.000 0.216 850 D C 1.159 177.527 176.300 0.112 0.000 0.970 850 D CA 0.414 54.456 54.000 0.070 0.000 0.889 850 D CB -0.191 40.646 40.800 0.063 0.000 0.912 850 D HN 0.391 nan 8.370 nan 0.000 0.524 851 W N 1.269 122.496 121.300 -0.122 0.000 2.595 851 W HA -0.027 4.631 4.660 -0.003 0.000 0.257 851 W C 1.648 178.104 176.519 -0.106 0.000 1.267 851 W CA 0.483 57.754 57.345 -0.124 0.000 1.300 851 W CB -0.150 29.212 29.460 -0.162 0.000 1.120 851 W HN -0.166 nan 8.180 nan 0.000 0.618 852 M N 0.614 120.142 119.600 -0.119 0.000 2.279 852 M HA -0.154 4.325 4.480 -0.003 0.000 0.264 852 M C 1.675 177.889 176.300 -0.142 0.000 1.062 852 M CA 1.362 56.536 55.300 -0.211 0.000 1.099 852 M CB -1.327 31.256 32.600 -0.028 0.000 1.394 852 M HN 0.057 nan 8.290 nan 0.000 0.426 853 K N 0.654 121.026 120.400 -0.047 0.000 2.063 853 K HA -0.107 4.212 4.320 -0.003 0.000 0.208 853 K C 1.300 177.844 176.600 -0.093 0.000 1.048 853 K CA 1.785 58.048 56.287 -0.040 0.000 0.928 853 K CB -0.238 32.264 32.500 0.003 0.000 0.713 853 K HN 0.397 nan 8.250 nan 0.000 0.442 854 S N 0.126 115.751 115.700 -0.125 0.000 2.581 854 S HA 0.168 4.636 4.470 -0.003 0.000 0.245 854 S C -0.384 174.069 174.600 -0.244 0.000 1.115 854 S CA -0.745 57.387 58.200 -0.113 0.000 1.093 854 S CB 0.261 63.461 63.200 0.001 0.000 0.853 854 S HN 0.200 nan 8.310 nan 0.000 0.479 855 T N -1.943 112.358 114.554 -0.421 0.000 2.830 855 T HA 0.489 4.837 4.350 -0.003 0.000 0.322 855 T C -1.847 172.577 174.700 -0.460 0.000 1.501 855 T CA -0.722 61.075 62.100 -0.504 0.000 1.036 855 T CB 1.524 69.852 68.868 -0.899 0.000 1.379 855 T HN -0.056 nan 8.240 nan 0.000 0.493 856 D N 1.183 121.349 120.400 -0.389 0.000 2.957 856 D HA 0.270 4.909 4.640 -0.003 0.000 0.352 856 D C 1.232 177.288 176.300 -0.407 0.000 1.352 856 D CA -0.029 53.770 54.000 -0.335 0.000 0.831 856 D CB 0.901 41.577 40.800 -0.207 0.000 1.147 856 D HN 0.765 nan 8.370 nan 0.000 0.467 857 T N -3.592 110.582 114.554 -0.634 0.000 3.234 857 T HA 0.179 4.528 4.350 -0.003 0.000 0.235 857 T C 0.841 175.064 174.700 -0.796 0.000 0.971 857 T CA 0.210 61.687 62.100 -1.038 0.000 1.292 857 T CB 0.317 68.429 68.868 -1.260 0.000 0.994 857 T HN -0.123 nan 8.240 nan 0.000 0.412 858 V N 2.222 121.753 119.914 -0.639 0.000 2.435 858 V HA 0.732 4.851 4.120 -0.003 0.000 0.290 858 V C 0.836 176.748 176.094 -0.304 0.000 1.030 858 V CA -0.799 61.312 62.300 -0.315 0.000 0.881 858 V CB 1.019 32.781 31.823 -0.102 0.000 0.983 858 V HN 0.758 nan 8.190 nan 0.000 0.445 859 G N 2.866 111.546 108.800 -0.201 0.000 2.476 859 G HA2 0.634 4.592 3.960 -0.003 0.000 0.286 859 G HA3 0.634 4.592 3.960 -0.003 0.000 0.286 859 G C -0.535 174.213 174.900 -0.254 0.000 1.177 859 G CA -0.319 44.652 45.100 -0.215 0.000 0.870 859 G HN 1.060 nan 8.290 nan 0.000 0.528 860 V N -1.529 118.219 119.914 -0.277 0.000 2.735 860 V HA 0.692 4.810 4.120 -0.003 0.000 0.310 860 V C -0.438 175.451 176.094 -0.343 0.000 1.061 860 V CA -1.557 60.530 62.300 -0.356 0.000 0.913 860 V CB 1.342 32.923 31.823 -0.403 0.000 1.005 860 V HN 0.508 nan 8.190 nan 0.000 0.428 861 F N 2.101 121.803 119.950 -0.413 0.000 2.629 861 F HA 0.265 4.790 4.527 -0.003 0.000 0.377 861 F C 1.357 177.129 175.800 -0.045 0.000 1.101 861 F CA 0.973 58.721 58.000 -0.420 0.000 1.301 861 F CB 0.790 39.318 39.000 -0.786 0.000 1.062 861 F HN 0.708 nan 8.300 nan 0.000 0.583 862 S N 3.161 119.095 115.700 0.389 0.000 2.464 862 S HA 0.099 4.567 4.470 -0.003 0.000 0.313 862 S C 0.899 175.859 174.600 0.601 0.000 1.078 862 S CA -0.955 57.541 58.200 0.492 0.000 1.096 862 S CB -0.197 63.206 63.200 0.338 0.000 1.032 862 S HN 0.619 nan 8.310 nan 0.000 0.498 863 D N 3.223 124.006 120.400 0.639 0.000 2.312 863 D HA -0.137 4.502 4.640 -0.003 0.000 0.211 863 D C 1.058 177.501 176.300 0.238 0.000 0.964 863 D CA 0.606 54.884 54.000 0.462 0.000 0.877 863 D CB -0.136 40.896 40.800 0.386 0.000 0.924 863 D HN 0.564 nan 8.370 nan 0.000 0.515 864 D N 0.634 121.176 120.400 0.238 0.000 2.097 864 D HA -0.090 4.548 4.640 -0.003 0.000 0.197 864 D C 2.077 178.420 176.300 0.072 0.000 0.984 864 D CA 0.727 54.802 54.000 0.124 0.000 0.826 864 D CB -0.177 40.676 40.800 0.087 0.000 0.973 864 D HN 0.241 nan 8.370 nan 0.000 0.460 865 I N -0.083 120.538 120.570 0.085 0.000 2.252 865 I HA -0.210 3.958 4.170 -0.003 0.000 0.245 865 I C 2.431 178.561 176.117 0.021 0.000 1.102 865 I CA 0.815 62.138 61.300 0.039 0.000 1.385 865 I CB -0.141 37.890 38.000 0.051 0.000 1.064 865 I HN -0.017 nan 8.210 nan 0.000 0.414 866 R N 0.924 121.432 120.500 0.013 0.000 2.103 866 R HA -0.247 4.091 4.340 -0.003 0.000 0.234 866 R C 2.049 178.312 176.300 -0.061 0.000 1.132 866 R CA 2.426 58.456 56.100 -0.116 0.000 0.925 866 R CB -0.478 29.636 30.300 -0.309 0.000 0.842 866 R HN 0.404 nan 8.270 nan 0.000 0.430 867 N N 0.324 119.011 118.700 -0.022 0.000 2.094 867 N HA -0.134 4.604 4.740 -0.003 0.000 0.191 867 N C 1.863 177.376 175.510 0.006 0.000 1.023 867 N CA 1.784 54.826 53.050 -0.012 0.000 0.857 867 N CB -0.485 38.005 38.487 0.004 0.000 1.013 867 N HN 0.184 nan 8.380 nan 0.000 0.426 868 S N 0.509 116.219 115.700 0.017 0.000 2.383 868 S HA 0.099 4.567 4.470 -0.003 0.000 0.227 868 S C 2.018 176.663 174.600 0.074 0.000 1.026 868 S CA 0.536 58.757 58.200 0.034 0.000 0.981 868 S CB 0.003 63.205 63.200 0.005 0.000 0.818 868 S HN 0.240 nan 8.310 nan 0.000 0.472 869 L N 0.760 122.015 121.223 0.053 0.000 2.127 869 L HA 0.101 4.439 4.340 -0.003 0.000 0.203 869 L C 1.476 178.408 176.870 0.103 0.000 1.080 869 L CA 0.842 55.748 54.840 0.110 0.000 0.768 869 L CB -0.103 41.995 42.059 0.066 0.000 0.924 869 L HN 0.280 nan 8.230 nan 0.000 0.444 870 K N -0.174 120.245 120.400 0.032 0.000 3.199 870 K HA 0.151 4.470 4.320 -0.003 0.000 0.181 870 K C -0.290 176.292 176.600 -0.030 0.000 1.067 870 K CA 0.320 56.609 56.287 0.003 0.000 1.021 870 K CB -0.285 32.211 32.500 -0.006 0.000 0.688 870 K HN 0.219 nan 8.250 nan 0.000 0.415 871 S N -1.752 113.933 115.700 -0.027 0.000 3.493 871 S HA 0.159 4.627 4.470 -0.003 0.000 0.825 871 S C -0.009 174.555 174.600 -0.059 0.000 1.181 871 S CA 0.109 58.284 58.200 -0.042 0.000 1.045 871 S CB -1.384 61.786 63.200 -0.050 0.000 0.630 871 S HN 1.578 nan 8.310 nan 0.000 0.345 872 G N 0.725 109.490 108.800 -0.058 0.000 2.623 872 G HA2 0.597 4.555 3.960 -0.003 0.000 0.290 872 G HA3 0.597 4.555 3.960 -0.003 0.000 0.290 872 G C -0.826 174.058 174.900 -0.028 0.000 1.437 872 G CA -0.540 44.532 45.100 -0.046 0.000 0.798 872 G HN 1.627 nan 8.290 nan 0.000 0.488 873 F N 1.671 121.530 119.950 -0.152 0.000 2.623 873 F HA 0.245 4.770 4.527 -0.003 0.000 0.386 873 F C -0.542 175.158 175.800 -0.166 0.000 1.068 873 F CA -0.422 57.481 58.000 -0.161 0.000 1.265 873 F CB 1.244 40.130 39.000 -0.192 0.000 1.026 873 F HN 0.230 nan 8.300 nan 0.000 0.568 874 P HA 0.004 nan 4.420 nan 0.000 0.245 874 P C -0.306 176.682 177.300 -0.520 0.000 1.203 874 P CA 0.754 63.242 63.100 -1.019 0.000 0.792 874 P CB 0.248 31.459 31.700 -0.815 0.000 0.997 875 N N 1.031 119.558 118.700 -0.287 0.000 2.558 875 N HA 0.052 4.790 4.740 -0.003 0.000 0.281 875 N C -0.094 175.332 175.510 -0.140 0.000 1.219 875 N CA -0.103 52.833 53.050 -0.189 0.000 0.942 875 N CB 0.427 38.833 38.487 -0.135 0.000 1.241 875 N HN 0.319 nan 8.380 nan 0.000 0.511 876 E N -0.224 119.887 120.200 -0.150 0.000 2.417 876 E HA 0.112 4.460 4.350 -0.003 0.000 0.261 876 E C 0.984 177.527 176.600 -0.094 0.000 1.000 876 E CA 0.547 56.887 56.400 -0.100 0.000 0.919 876 E CB 0.309 29.961 29.700 -0.081 0.000 0.955 876 E HN 0.520 nan 8.360 nan 0.000 0.455 877 G N 3.150 111.903 108.800 -0.079 0.000 2.231 877 G HA2 -0.218 3.740 3.960 -0.003 0.000 0.206 877 G HA3 -0.218 3.740 3.960 -0.003 0.000 0.206 877 G C 0.227 175.086 174.900 -0.068 0.000 0.996 877 G CA 0.008 45.062 45.100 -0.077 0.000 0.645 877 G HN 0.591 nan 8.290 nan 0.000 0.498 878 T N 3.978 118.493 114.554 -0.064 0.000 2.853 878 T HA 0.459 4.807 4.350 -0.003 0.000 0.298 878 T C -2.174 172.500 174.700 -0.043 0.000 0.978 878 T CA -0.327 61.741 62.100 -0.052 0.000 1.152 878 T CB 1.362 70.200 68.868 -0.050 0.000 0.914 878 T HN 0.109 nan 8.240 nan 0.000 0.539 879 P HA 0.267 nan 4.420 nan 0.000 0.261 879 P C -0.615 176.674 177.300 -0.017 0.000 1.183 879 P CA 0.152 63.230 63.100 -0.036 0.000 0.761 879 P CB 0.391 32.067 31.700 -0.039 0.000 0.785 880 A N 2.934 125.751 122.820 -0.004 0.000 2.686 880 A HA 0.482 4.800 4.320 -0.003 0.000 0.263 880 A C 0.701 178.327 177.584 0.070 0.000 1.264 880 A CA -0.512 51.550 52.037 0.043 0.000 0.799 880 A CB -0.349 18.681 19.000 0.050 0.000 1.363 880 A HN 0.380 nan 8.150 nan 0.000 0.507 881 F N 0.572 120.520 119.950 -0.004 0.000 2.091 881 F HA -0.177 4.348 4.527 -0.003 0.000 0.299 881 F C 1.700 177.505 175.800 0.008 0.000 1.103 881 F CA 2.638 60.643 58.000 0.010 0.000 1.228 881 F CB 0.018 39.033 39.000 0.024 0.000 0.984 881 F HN 0.434 nan 8.300 nan 0.000 0.477 882 I N -1.920 118.723 120.570 0.121 0.000 3.861 882 I HA 0.219 4.387 4.170 -0.003 0.000 0.329 882 I C 0.504 176.599 176.117 -0.035 0.000 1.321 882 I CA 0.788 62.101 61.300 0.022 0.000 1.126 882 I CB -0.569 37.497 38.000 0.111 0.000 1.018 882 I HN 0.170 nan 8.210 nan 0.000 0.407 883 T N -2.972 111.554 114.554 -0.046 0.000 3.380 883 T HA 0.523 4.872 4.350 -0.003 0.000 0.289 883 T C 1.150 175.807 174.700 -0.071 0.000 1.012 883 T CA 0.100 62.164 62.100 -0.060 0.000 0.944 883 T CB 0.294 69.130 68.868 -0.053 0.000 1.172 883 T HN 0.588 nan 8.240 nan 0.000 0.502 884 G N 0.291 109.032 108.800 -0.100 0.000 2.159 884 G HA2 -0.069 3.889 3.960 -0.003 0.000 0.256 884 G HA3 -0.069 3.889 3.960 -0.003 0.000 0.256 884 G C 0.365 175.217 174.900 -0.080 0.000 0.977 884 G CA -0.347 44.694 45.100 -0.099 0.000 0.652 884 G HN 1.209 nan 8.290 nan 0.000 0.531 885 G N 0.543 109.305 108.800 -0.064 0.000 2.468 885 G HA2 0.670 4.629 3.960 -0.003 0.000 0.320 885 G HA3 0.670 4.629 3.960 -0.003 0.000 0.320 885 G C -2.237 172.654 174.900 -0.015 0.000 1.137 885 G CA -1.212 43.868 45.100 -0.033 0.000 0.984 885 G HN 0.151 nan 8.290 nan 0.000 0.462 886 P HA 0.054 nan 4.420 nan 0.000 0.264 886 P C -0.446 176.903 177.300 0.080 0.000 1.183 886 P CA 0.271 63.380 63.100 0.014 0.000 0.763 886 P CB 0.798 32.502 31.700 0.007 0.000 0.807 887 Q N 0.764 120.667 119.800 0.171 0.000 2.394 887 Q HA 0.266 4.604 4.340 -0.003 0.000 0.273 887 Q C -0.196 175.900 176.000 0.160 0.000 1.089 887 Q CA -0.763 55.150 55.803 0.183 0.000 0.812 887 Q CB 1.979 30.880 28.738 0.271 0.000 1.353 887 Q HN 0.345 nan 8.270 nan 0.000 0.438 888 S N 2.440 118.199 115.700 0.097 0.000 2.670 888 S HA 0.005 4.473 4.470 -0.003 0.000 0.308 888 S C 1.376 176.024 174.600 0.081 0.000 1.232 888 S CA -0.157 58.088 58.200 0.076 0.000 1.126 888 S CB -0.130 63.100 63.200 0.049 0.000 0.897 888 S HN 0.565 nan 8.310 nan 0.000 0.508 889 L N 3.695 124.975 121.223 0.095 0.000 2.191 889 L HA -0.098 4.241 4.340 -0.003 0.000 0.212 889 L C 2.696 179.617 176.870 0.086 0.000 1.103 889 L CA 0.957 55.852 54.840 0.092 0.000 0.769 889 L CB -0.518 41.599 42.059 0.097 0.000 0.908 889 L HN 0.624 nan 8.230 nan 0.000 0.438 890 Q N 0.640 120.488 119.800 0.080 0.000 2.119 890 Q HA -0.096 4.242 4.340 -0.003 0.000 0.201 890 Q C 2.133 178.192 176.000 0.098 0.000 0.972 890 Q CA 1.836 57.706 55.803 0.113 0.000 0.847 890 Q CB -0.427 28.358 28.738 0.078 0.000 0.903 890 Q HN 0.380 nan 8.270 nan 0.000 0.433 891 G N 0.189 109.014 108.800 0.042 0.000 2.421 891 G HA2 -0.118 3.841 3.960 -0.003 0.000 0.217 891 G HA3 -0.118 3.841 3.960 -0.003 0.000 0.217 891 G C 1.274 176.148 174.900 -0.043 0.000 1.143 891 G CA 0.558 45.655 45.100 -0.004 0.000 0.784 891 G HN 0.314 nan 8.290 nan 0.000 0.541 892 I N 0.297 120.839 120.570 -0.046 0.000 2.202 892 I HA -0.059 4.109 4.170 -0.003 0.000 0.242 892 I C 2.403 178.456 176.117 -0.106 0.000 1.091 892 I CA 0.846 62.064 61.300 -0.137 0.000 1.368 892 I CB -1.086 36.749 38.000 -0.275 0.000 1.058 892 I HN 0.186 nan 8.210 nan 0.000 0.410 893 F N 2.613 122.464 119.950 -0.165 0.000 2.134 893 F HA -0.202 4.323 4.527 -0.003 0.000 0.299 893 F C 2.484 178.179 175.800 -0.175 0.000 1.097 893 F CA 1.679 59.573 58.000 -0.178 0.000 1.264 893 F CB -0.310 38.631 39.000 -0.098 0.000 1.001 893 F HN -0.053 nan 8.300 nan 0.000 0.479 894 K N 0.274 120.522 120.400 -0.254 0.000 2.103 894 K HA -0.208 4.110 4.320 -0.003 0.000 0.207 894 K C 1.834 178.243 176.600 -0.317 0.000 1.048 894 K CA 1.819 57.909 56.287 -0.329 0.000 0.930 894 K CB -0.813 31.591 32.500 -0.161 0.000 0.716 894 K HN 0.406 nan 8.250 nan 0.000 0.444 895 N N 0.878 119.435 118.700 -0.238 0.000 2.120 895 N HA -0.071 4.667 4.740 -0.003 0.000 0.188 895 N C 1.875 177.244 175.510 -0.235 0.000 1.024 895 N CA 0.738 53.669 53.050 -0.200 0.000 0.852 895 N CB -0.094 38.311 38.487 -0.136 0.000 1.003 895 N HN 0.086 nan 8.380 nan 0.000 0.424 896 I N 0.745 121.120 120.570 -0.325 0.000 2.454 896 I HA -0.208 3.960 4.170 -0.003 0.000 0.254 896 I C 1.358 177.240 176.117 -0.391 0.000 1.156 896 I CA 1.119 62.185 61.300 -0.390 0.000 1.433 896 I CB -0.027 37.589 38.000 -0.641 0.000 1.082 896 I HN 0.075 nan 8.210 nan 0.000 0.432 897 K N 0.995 121.115 120.400 -0.467 0.000 2.458 897 K HA 0.284 4.602 4.320 -0.003 0.000 0.194 897 K C 0.782 177.234 176.600 -0.246 0.000 1.024 897 K CA 0.516 56.573 56.287 -0.384 0.000 1.108 897 K CB 0.231 32.424 32.500 -0.511 0.000 0.846 897 K HN 0.268 nan 8.250 nan 0.000 0.518 898 A N 1.635 124.330 122.820 -0.209 0.000 2.846 898 A HA -0.226 4.092 4.320 -0.003 0.000 0.287 898 A C -0.228 177.239 177.584 -0.196 0.000 1.469 898 A CA 0.795 52.739 52.037 -0.156 0.000 0.757 898 A CB -1.921 17.015 19.000 -0.106 0.000 1.033 898 A HN 0.492 nan 8.150 nan 0.000 0.516 899 Q N -0.386 119.272 119.800 -0.237 0.000 3.075 899 Q HA 0.293 4.632 4.340 -0.003 0.000 0.318 899 Q C -2.642 173.190 176.000 -0.279 0.000 0.907 899 Q CA -1.692 53.955 55.803 -0.260 0.000 0.882 899 Q CB 1.888 30.491 28.738 -0.225 0.000 1.386 899 Q HN 0.588 nan 8.270 nan 0.000 0.408 900 P HA -0.012 nan 4.420 nan 0.000 0.269 900 P C 0.634 177.768 177.300 -0.277 0.000 1.215 900 P CA 0.180 63.094 63.100 -0.309 0.000 0.780 900 P CB 1.041 32.510 31.700 -0.386 0.000 0.898 901 G N 1.672 110.387 108.800 -0.142 0.000 2.650 901 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.214 901 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.214 901 G C 0.941 175.817 174.900 -0.039 0.000 1.136 901 G CA 0.061 45.111 45.100 -0.083 0.000 0.789 901 G HN 0.638 nan 8.290 nan 0.000 0.536 902 N N -0.193 118.502 118.700 -0.009 0.000 2.236 902 N HA 0.184 4.923 4.740 -0.003 0.000 0.196 902 N C 0.101 175.756 175.510 0.242 0.000 1.114 902 N CA -0.434 52.687 53.050 0.119 0.000 0.859 902 N CB -0.023 38.576 38.487 0.186 0.000 0.982 902 N HN 0.429 nan 8.380 nan 0.000 0.493 903 F N -2.080 117.891 119.950 0.035 0.000 2.741 903 F HA 0.511 5.036 4.527 -0.003 0.000 0.311 903 F C -1.129 174.671 175.800 -0.000 0.000 1.149 903 F CA -1.344 56.671 58.000 0.025 0.000 0.930 903 F CB 1.070 40.092 39.000 0.038 0.000 1.312 903 F HN -0.202 nan 8.300 nan 0.000 0.450 904 E N 1.641 121.927 120.200 0.143 0.000 2.089 904 E HA 0.594 4.942 4.350 -0.003 0.000 0.284 904 E C -1.062 175.566 176.600 0.047 0.000 1.023 904 E CA -0.731 55.666 56.400 -0.005 0.000 0.819 904 E CB 1.210 30.928 29.700 0.030 0.000 1.076 904 E HN 0.864 nan 8.360 nan 0.000 0.396 905 A N 4.723 127.452 122.820 -0.152 0.000 2.322 905 A HA 0.144 4.462 4.320 -0.003 0.000 0.327 905 A C 0.212 177.748 177.584 -0.080 0.000 1.394 905 A CA -0.712 51.290 52.037 -0.058 0.000 0.921 905 A CB 0.246 19.156 19.000 -0.151 0.000 1.153 905 A HN 0.720 nan 8.150 nan 0.000 0.523 906 D N 1.111 121.477 120.400 -0.056 0.000 2.340 906 D HA 0.073 4.712 4.640 -0.003 0.000 0.220 906 D C 0.279 176.532 176.300 -0.077 0.000 1.039 906 D CA 0.558 54.517 54.000 -0.069 0.000 0.866 906 D CB 0.289 41.052 40.800 -0.061 0.000 0.913 906 D HN 0.241 nan 8.370 nan 0.000 0.523 907 S N 0.037 115.689 115.700 -0.081 0.000 2.546 907 S HA 0.386 4.855 4.470 -0.003 0.000 0.272 907 S C -2.259 172.293 174.600 -0.080 0.000 1.140 907 S CA -1.311 56.838 58.200 -0.085 0.000 0.920 907 S CB 2.121 65.262 63.200 -0.098 0.000 1.083 907 S HN -0.267 nan 8.310 nan 0.000 0.476 908 P HA -0.015 nan 4.420 nan 0.000 0.218 908 P C 1.467 178.730 177.300 -0.061 0.000 1.148 908 P CA 1.520 64.578 63.100 -0.070 0.000 0.822 908 P CB -0.366 31.295 31.700 -0.065 0.000 0.784 909 G N 0.220 108.976 108.800 -0.073 0.000 2.535 909 G HA2 -0.207 3.751 3.960 -0.003 0.000 0.218 909 G HA3 -0.207 3.751 3.960 -0.003 0.000 0.218 909 G C 1.042 175.884 174.900 -0.098 0.000 1.122 909 G CA 0.464 45.516 45.100 -0.082 0.000 0.769 909 G HN 0.194 nan 8.290 nan 0.000 0.549 910 D N -0.312 120.036 120.400 -0.086 0.000 2.312 910 D HA 0.010 4.648 4.640 -0.003 0.000 0.211 910 D C 0.741 177.037 176.300 -0.007 0.000 0.964 910 D CA 0.419 54.374 54.000 -0.074 0.000 0.877 910 D CB 0.437 41.231 40.800 -0.010 0.000 0.924 910 D HN 0.135 nan 8.370 nan 0.000 0.515 911 V N 1.609 121.527 119.914 0.005 0.000 2.384 911 V HA 0.192 4.310 4.120 -0.003 0.000 0.287 911 V C 0.086 176.163 176.094 -0.028 0.000 1.020 911 V CA -0.767 61.565 62.300 0.053 0.000 0.850 911 V CB 2.287 34.145 31.823 0.059 0.000 0.987 911 V HN -0.259 nan 8.190 nan 0.000 0.436 912 V N 5.753 125.602 119.914 -0.107 0.000 2.368 912 V HA 0.300 4.419 4.120 -0.003 0.000 0.266 912 V C 0.153 176.254 176.094 0.012 0.000 1.045 912 V CA -0.609 61.580 62.300 -0.184 0.000 0.899 912 V CB 1.096 32.518 31.823 -0.669 0.000 1.006 912 V HN 0.795 nan 8.190 nan 0.000 0.470 913 Q N 5.251 125.129 119.800 0.129 0.000 2.279 913 Q HA 0.468 4.806 4.340 -0.003 0.000 0.256 913 Q C -0.850 175.403 176.000 0.422 0.000 0.937 913 Q CA -0.256 55.690 55.803 0.238 0.000 0.933 913 Q CB 1.940 30.769 28.738 0.152 0.000 1.189 913 Q HN 0.824 nan 8.270 nan 0.000 0.417 914 Y N -0.068 120.362 120.300 0.217 0.000 2.609 914 Y HA 0.495 5.044 4.550 -0.003 0.000 0.336 914 Y C -0.385 175.631 175.900 0.193 0.000 1.129 914 Y CA -1.461 56.805 58.100 0.277 0.000 1.040 914 Y CB 0.532 39.204 38.460 0.354 0.000 1.310 914 Y HN 0.482 nan 8.280 nan 0.000 0.460 915 I N -0.695 119.863 120.570 -0.020 0.000 4.526 915 I HA 0.883 5.051 4.170 -0.003 0.000 0.330 915 I C 0.217 176.218 176.117 -0.193 0.000 1.323 915 I CA -0.000 61.188 61.300 -0.186 0.000 1.218 915 I CB 1.040 39.027 38.000 -0.021 0.000 1.233 915 I HN 0.681 nan 8.210 nan 0.000 0.430 916 A N 1.147 123.962 122.820 -0.010 0.000 2.572 916 A HA 0.951 5.270 4.320 -0.003 0.000 0.295 916 A C -0.876 176.846 177.584 0.231 0.000 1.072 916 A CA 0.068 52.130 52.037 0.041 0.000 0.691 916 A CB 1.748 20.817 19.000 0.116 0.000 1.291 916 A HN 0.432 nan 8.150 nan 0.000 0.404 917 A N -0.163 122.610 122.820 -0.078 0.000 2.535 917 A HA 0.708 5.026 4.320 -0.003 0.000 0.296 917 A C 0.753 177.832 177.584 -0.840 0.000 1.248 917 A CA 0.242 52.179 52.037 -0.166 0.000 0.686 917 A CB -0.162 18.739 19.000 -0.165 0.000 1.315 917 A HN 1.592 nan 8.150 nan 0.000 0.460 918 H N -0.374 118.413 119.070 -0.471 0.000 2.457 918 H HA -0.018 4.536 4.556 -0.003 0.000 0.294 918 H C -0.640 174.497 175.328 -0.318 0.000 1.064 918 H CA 1.123 56.914 56.048 -0.428 0.000 1.330 918 H CB -0.215 29.229 29.762 -0.531 0.000 1.395 918 H HN 0.458 nan 8.280 nan 0.000 0.541 919 D N 1.883 121.814 120.400 -0.783 0.000 2.362 919 D HA 0.102 4.740 4.640 -0.003 0.000 0.242 919 D C 0.546 176.814 176.300 -0.053 0.000 1.132 919 D CA 0.018 53.850 54.000 -0.280 0.000 0.907 919 D CB 0.627 41.188 40.800 -0.399 0.000 1.195 919 D HN 0.321 nan 8.370 nan 0.000 0.429 920 N N -0.790 117.992 118.700 0.136 0.000 6.832 920 N HA -0.234 4.504 4.740 -0.003 0.000 0.417 920 N C -0.526 175.093 175.510 0.181 0.000 0.938 920 N CA 0.151 53.302 53.050 0.168 0.000 1.317 920 N CB -0.734 37.792 38.487 0.066 0.000 0.820 920 N HN 0.307 nan 8.380 nan 0.000 0.305 921 L N 1.255 122.577 121.223 0.163 0.000 2.461 921 L HA 0.148 4.486 4.340 -0.003 0.000 0.272 921 L C 1.671 178.592 176.870 0.085 0.000 1.197 921 L CA -0.133 54.794 54.840 0.145 0.000 0.836 921 L CB 0.267 42.385 42.059 0.098 0.000 1.105 921 L HN 0.759 nan 8.230 nan 0.000 0.477 922 T N -0.551 114.075 114.554 0.119 0.000 2.802 922 T HA 0.045 4.394 4.350 -0.003 0.000 0.305 922 T C 1.038 175.776 174.700 0.063 0.000 1.053 922 T CA -0.665 61.505 62.100 0.118 0.000 1.058 922 T CB 0.787 69.751 68.868 0.159 0.000 0.988 922 T HN 0.467 nan 8.240 nan 0.000 0.539 923 L N 0.894 122.154 121.223 0.061 0.000 1.990 923 L HA -0.152 4.186 4.340 -0.003 0.000 0.213 923 L C 2.625 179.483 176.870 -0.021 0.000 1.072 923 L CA 2.276 57.124 54.840 0.013 0.000 0.755 923 L CB -1.447 40.627 42.059 0.024 0.000 0.889 923 L HN 0.997 nan 8.230 nan 0.000 0.432 924 H N -0.621 118.382 119.070 -0.112 0.000 2.289 924 H HA -0.196 4.358 4.556 -0.003 0.000 0.296 924 H C 1.716 176.954 175.328 -0.150 0.000 1.091 924 H CA 2.349 58.305 56.048 -0.153 0.000 1.274 924 H CB -0.065 29.597 29.762 -0.166 0.000 1.364 924 H HN 0.405 nan 8.280 nan 0.000 0.490 925 D N 0.252 120.626 120.400 -0.044 0.000 2.117 925 D HA -0.122 4.516 4.640 -0.003 0.000 0.197 925 D C 2.405 178.542 176.300 -0.273 0.000 0.987 925 D CA 1.004 54.876 54.000 -0.214 0.000 0.829 925 D CB -0.509 40.284 40.800 -0.012 0.000 0.961 925 D HN 0.242 nan 8.370 nan 0.000 0.460 926 V N 0.416 120.242 119.914 -0.147 0.000 2.427 926 V HA -0.161 3.957 4.120 -0.003 0.000 0.248 926 V C 2.114 178.112 176.094 -0.160 0.000 1.051 926 V CA 1.042 63.266 62.300 -0.127 0.000 1.048 926 V CB -0.234 31.546 31.823 -0.072 0.000 0.666 926 V HN 0.140 nan 8.190 nan 0.000 0.456 927 I N 0.282 120.741 120.570 -0.185 0.000 2.142 927 I HA -0.208 3.960 4.170 -0.003 0.000 0.240 927 I C 2.744 178.721 176.117 -0.233 0.000 1.078 927 I CA 1.596 62.785 61.300 -0.186 0.000 1.343 927 I CB -0.716 37.170 38.000 -0.189 0.000 1.046 927 I HN 0.363 nan 8.210 nan 0.000 0.405 928 A N 0.873 123.477 122.820 -0.360 0.000 1.892 928 A HA -0.335 3.984 4.320 -0.003 0.000 0.218 928 A C 2.369 179.789 177.584 -0.273 0.000 1.188 928 A CA 2.508 54.327 52.037 -0.364 0.000 0.631 928 A CB -0.717 17.954 19.000 -0.548 0.000 0.822 928 A HN 0.436 nan 8.150 nan 0.000 0.447 929 K N -0.472 119.758 120.400 -0.283 0.000 2.057 929 K HA -0.105 4.213 4.320 -0.003 0.000 0.206 929 K C 2.168 178.688 176.600 -0.132 0.000 1.050 929 K CA 1.690 57.860 56.287 -0.194 0.000 0.935 929 K CB -0.238 32.162 32.500 -0.167 0.000 0.715 929 K HN 0.403 nan 8.250 nan 0.000 0.439 930 S N 1.479 117.103 115.700 -0.127 0.000 2.368 930 S HA -0.117 4.351 4.470 -0.003 0.000 0.225 930 S C 1.861 176.410 174.600 -0.086 0.000 1.030 930 S CA 1.460 59.603 58.200 -0.094 0.000 0.999 930 S CB -0.401 62.748 63.200 -0.085 0.000 0.844 930 S HN 0.597 nan 8.310 nan 0.000 0.459 931 I N -0.404 120.108 120.570 -0.097 0.000 3.428 931 I HA 0.195 4.363 4.170 -0.003 0.000 0.286 931 I C 0.210 176.281 176.117 -0.076 0.000 1.287 931 I CA 0.278 61.528 61.300 -0.082 0.000 1.396 931 I CB -0.636 37.314 38.000 -0.084 0.000 1.062 931 I HN 0.116 nan 8.210 nan 0.000 0.471 932 N N 3.007 121.654 118.700 -0.087 0.000 2.641 932 N HA -0.213 4.525 4.740 -0.003 0.000 0.267 932 N C -1.107 174.367 175.510 -0.060 0.000 1.087 932 N CA 0.920 53.926 53.050 -0.073 0.000 0.731 932 N CB -0.731 37.723 38.487 -0.055 0.000 0.886 932 N HN 0.709 nan 8.380 nan 0.000 0.547 933 K N 0.417 120.774 120.400 -0.072 0.000 2.512 933 K HA 0.285 4.603 4.320 -0.003 0.000 0.263 933 K C -1.123 175.456 176.600 -0.035 0.000 0.966 933 K CA -0.947 55.312 56.287 -0.047 0.000 0.851 933 K CB 1.293 33.764 32.500 -0.049 0.000 1.395 933 K HN 0.291 nan 8.250 nan 0.000 0.440 934 D N 1.370 121.774 120.400 0.006 0.000 2.351 934 D HA 0.132 4.770 4.640 -0.003 0.000 0.251 934 D C -1.815 174.523 176.300 0.063 0.000 1.137 934 D CA -1.822 52.210 54.000 0.052 0.000 0.879 934 D CB 1.307 42.144 40.800 0.060 0.000 1.181 934 D HN 0.052 nan 8.370 nan 0.000 0.448 935 P HA -0.124 nan 4.420 nan 0.000 0.220 935 P C 0.787 178.192 177.300 0.175 0.000 1.148 935 P CA 1.135 64.337 63.100 0.172 0.000 0.803 935 P CB 0.231 32.123 31.700 0.320 0.000 0.782 936 K N -0.296 120.190 120.400 0.143 0.000 1.973 936 K HA -0.104 4.214 4.320 -0.003 0.000 0.210 936 K C 2.018 178.665 176.600 0.079 0.000 1.045 936 K CA 2.011 58.363 56.287 0.109 0.000 0.937 936 K CB -1.058 31.497 32.500 0.092 0.000 0.721 936 K HN 0.065 nan 8.250 nan 0.000 0.438 937 V N -1.112 118.838 119.914 0.061 0.000 2.307 937 V HA -0.083 4.036 4.120 -0.003 0.000 0.245 937 V C 1.908 178.025 176.094 0.038 0.000 1.045 937 V CA 1.918 64.242 62.300 0.040 0.000 1.024 937 V CB -0.868 30.972 31.823 0.027 0.000 0.651 937 V HN 0.235 nan 8.190 nan 0.000 0.449 938 A N -0.376 122.468 122.820 0.040 0.000 2.302 938 A HA 0.163 4.482 4.320 -0.003 0.000 0.219 938 A C 1.963 179.585 177.584 0.063 0.000 1.243 938 A CA 0.626 52.681 52.037 0.031 0.000 0.856 938 A CB -0.670 18.331 19.000 0.002 0.000 0.893 938 A HN 0.718 nan 8.150 nan 0.000 0.491 939 E N 0.518 120.778 120.200 0.100 0.000 2.068 939 E HA -0.316 4.033 4.350 -0.003 0.000 0.207 939 E C 1.770 178.484 176.600 0.191 0.000 1.032 939 E CA 1.983 58.490 56.400 0.177 0.000 0.839 939 E CB -0.107 29.670 29.700 0.128 0.000 0.758 939 E HN 0.752 nan 8.360 nan 0.000 0.457 940 E N -0.167 120.086 120.200 0.089 0.000 2.208 940 E HA -0.171 4.178 4.350 -0.003 0.000 0.193 940 E C 1.562 178.204 176.600 0.070 0.000 0.988 940 E CA 1.265 57.706 56.400 0.068 0.000 0.828 940 E CB 0.007 29.716 29.700 0.015 0.000 0.763 940 E HN 0.273 nan 8.360 nan 0.000 0.478 941 D N -0.377 120.051 120.400 0.047 0.000 2.117 941 D HA -0.106 4.532 4.640 -0.003 0.000 0.198 941 D C 1.716 178.025 176.300 0.015 0.000 0.982 941 D CA 1.200 55.210 54.000 0.017 0.000 0.828 941 D CB 0.102 40.901 40.800 -0.001 0.000 0.967 941 D HN 0.202 nan 8.370 nan 0.000 0.464 942 I N -0.185 120.401 120.570 0.027 0.000 2.252 942 I HA -0.232 3.937 4.170 -0.003 0.000 0.245 942 I C 2.202 178.311 176.117 -0.013 0.000 1.102 942 I CA 0.959 62.242 61.300 -0.029 0.000 1.385 942 I CB -0.273 37.681 38.000 -0.076 0.000 1.064 942 I HN 0.246 nan 8.210 nan 0.000 0.414 943 H N 0.627 119.708 119.070 0.019 0.000 2.395 943 H HA -0.024 4.531 4.556 -0.003 0.000 0.299 943 H C 2.443 177.757 175.328 -0.023 0.000 1.070 943 H CA 1.150 57.212 56.048 0.024 0.000 1.356 943 H CB 0.100 29.883 29.762 0.035 0.000 1.401 943 H HN 0.273 nan 8.280 nan 0.000 0.524 944 R N 0.595 121.139 120.500 0.074 0.000 2.091 944 R HA -0.104 4.234 4.340 -0.003 0.000 0.238 944 R C 2.530 178.825 176.300 -0.009 0.000 1.136 944 R CA 1.124 57.221 56.100 -0.006 0.000 0.959 944 R CB -0.037 30.255 30.300 -0.014 0.000 0.856 944 R HN 0.274 nan 8.270 nan 0.000 0.437 945 R N 0.401 120.897 120.500 -0.007 0.000 2.092 945 R HA -0.086 4.252 4.340 -0.003 0.000 0.231 945 R C 2.409 178.712 176.300 0.005 0.000 1.119 945 R CA 0.994 57.090 56.100 -0.008 0.000 0.970 945 R CB -0.372 29.908 30.300 -0.033 0.000 0.864 945 R HN 0.233 nan 8.270 nan 0.000 0.440 946 L N 0.959 122.169 121.223 -0.022 0.000 2.046 946 L HA -0.190 4.149 4.340 -0.003 0.000 0.208 946 L C 2.284 179.181 176.870 0.045 0.000 1.077 946 L CA 1.512 56.340 54.840 -0.020 0.000 0.747 946 L CB -0.095 41.900 42.059 -0.107 0.000 0.896 946 L HN 0.101 nan 8.230 nan 0.000 0.432 947 R N -0.385 120.145 120.500 0.050 0.000 2.120 947 R HA -0.147 4.191 4.340 -0.003 0.000 0.234 947 R C 2.204 178.617 176.300 0.188 0.000 1.123 947 R CA 1.345 57.519 56.100 0.123 0.000 0.975 947 R CB -0.382 29.866 30.300 -0.087 0.000 0.866 947 R HN 0.432 nan 8.270 nan 0.000 0.446 948 L N -0.631 120.670 121.223 0.130 0.000 2.083 948 L HA -0.090 4.248 4.340 -0.003 0.000 0.209 948 L C 2.540 179.510 176.870 0.167 0.000 1.083 948 L CA 1.360 56.297 54.840 0.162 0.000 0.752 948 L CB -0.817 41.327 42.059 0.142 0.000 0.899 948 L HN 0.350 nan 8.230 nan 0.000 0.433 949 G N 0.112 108.992 108.800 0.135 0.000 2.421 949 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.216 949 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.216 949 G C 1.350 176.322 174.900 0.120 0.000 1.171 949 G CA 0.669 45.842 45.100 0.120 0.000 0.775 949 G HN 0.324 nan 8.290 nan 0.000 0.543 950 N N 0.453 119.231 118.700 0.130 0.000 2.166 950 N HA -0.088 4.651 4.740 -0.003 0.000 0.186 950 N C 2.252 177.825 175.510 0.106 0.000 1.019 950 N CA 0.949 54.076 53.050 0.129 0.000 0.856 950 N CB -0.626 37.954 38.487 0.154 0.000 0.993 950 N HN 0.187 nan 8.380 nan 0.000 0.426 951 V N 1.308 121.302 119.914 0.133 0.000 2.343 951 V HA -0.190 3.928 4.120 -0.003 0.000 0.247 951 V C 2.236 178.370 176.094 0.067 0.000 1.051 951 V CA 1.426 63.777 62.300 0.085 0.000 1.036 951 V CB -0.387 31.523 31.823 0.144 0.000 0.654 951 V HN 0.300 nan 8.190 nan 0.000 0.451 952 M N -1.167 118.501 119.600 0.114 0.000 2.156 952 M HA -0.084 4.394 4.480 -0.003 0.000 0.264 952 M C 2.138 178.482 176.300 0.073 0.000 1.067 952 M CA 1.576 56.950 55.300 0.123 0.000 1.131 952 M CB -0.292 32.376 32.600 0.112 0.000 1.368 952 M HN 0.224 nan 8.290 nan 0.000 0.416 953 I N 0.452 121.066 120.570 0.073 0.000 2.252 953 I HA -0.226 3.942 4.170 -0.003 0.000 0.245 953 I C 2.129 178.273 176.117 0.046 0.000 1.102 953 I CA 1.665 63.012 61.300 0.079 0.000 1.385 953 I CB -1.011 37.065 38.000 0.126 0.000 1.064 953 I HN 0.338 nan 8.210 nan 0.000 0.414 954 L N 0.318 121.545 121.223 0.007 0.000 2.554 954 L HA -0.059 4.280 4.340 -0.003 0.000 0.226 954 L C 1.764 178.492 176.870 -0.236 0.000 1.137 954 L CA 0.951 55.750 54.840 -0.068 0.000 0.863 954 L CB -0.498 41.518 42.059 -0.072 0.000 0.985 954 L HN 0.340 nan 8.230 nan 0.000 0.451 955 T N -5.882 108.540 114.554 -0.219 0.000 3.084 955 T HA 0.225 4.573 4.350 -0.003 0.000 0.270 955 T C 0.667 175.423 174.700 0.094 0.000 1.008 955 T CA -0.322 61.545 62.100 -0.388 0.000 0.900 955 T CB 0.289 68.955 68.868 -0.336 0.000 1.084 955 T HN -0.041 nan 8.240 nan 0.000 0.538 956 S N 2.256 117.980 115.700 0.041 0.000 2.632 956 S HA 0.438 4.907 4.470 -0.003 0.000 0.271 956 S C 0.238 174.869 174.600 0.051 0.000 1.260 956 S CA -0.831 57.374 58.200 0.009 0.000 1.010 956 S CB 0.926 64.107 63.200 -0.032 0.000 0.965 956 S HN 0.351 nan 8.310 nan 0.000 0.534 957 Q N 0.562 120.358 119.800 -0.005 0.000 2.471 957 Q HA 0.537 4.876 4.340 -0.003 0.000 0.223 957 Q C 0.891 176.887 176.000 -0.007 0.000 1.045 957 Q CA 0.408 56.209 55.803 -0.002 0.000 0.956 957 Q CB 0.251 28.954 28.738 -0.059 0.000 1.249 957 Q HN 1.052 nan 8.270 nan 0.000 0.549 958 G N 0.025 108.822 108.800 -0.004 0.000 2.660 958 G HA2 -0.195 3.763 3.960 -0.003 0.000 0.247 958 G HA3 -0.195 3.763 3.960 -0.003 0.000 0.247 958 G C -0.808 174.106 174.900 0.023 0.000 1.328 958 G CA -0.457 44.640 45.100 -0.005 0.000 0.884 958 G HN 0.551 nan 8.290 nan 0.000 0.531 959 T N 1.195 115.760 114.554 0.018 0.000 2.832 959 T HA 0.623 4.971 4.350 -0.003 0.000 0.296 959 T C 0.796 175.553 174.700 0.095 0.000 0.968 959 T CA 0.801 62.929 62.100 0.048 0.000 1.107 959 T CB 1.252 70.126 68.868 0.011 0.000 0.916 959 T HN 1.712 nan 8.240 nan 0.000 0.517 960 A N 3.484 126.383 122.820 0.131 0.000 2.301 960 A HA 0.700 5.018 4.320 -0.003 0.000 0.298 960 A C -0.797 176.934 177.584 0.245 0.000 1.185 960 A CA -0.544 51.596 52.037 0.171 0.000 0.830 960 A CB 0.086 19.162 19.000 0.127 0.000 1.112 960 A HN 0.798 nan 8.150 nan 0.000 0.508 961 F N 2.580 122.615 119.950 0.142 0.000 2.529 961 F HA 0.728 5.253 4.527 -0.003 0.000 0.320 961 F C -0.820 175.114 175.800 0.224 0.000 1.118 961 F CA -0.818 57.294 58.000 0.185 0.000 0.915 961 F CB 1.419 40.558 39.000 0.233 0.000 1.161 961 F HN 0.433 nan 8.300 nan 0.000 0.445 962 I N 5.826 126.207 120.570 -0.315 0.000 2.478 962 I HA 0.190 4.359 4.170 -0.003 0.000 0.287 962 I C -0.670 175.232 176.117 -0.359 0.000 1.042 962 I CA -0.730 60.501 61.300 -0.115 0.000 1.067 962 I CB 1.800 39.824 38.000 0.039 0.000 1.233 962 I HN 0.608 nan 8.210 nan 0.000 0.431 963 H N 5.329 124.308 119.070 -0.152 0.000 2.683 963 H HA 0.152 4.707 4.556 -0.003 0.000 0.339 963 H C 0.068 175.231 175.328 -0.276 0.000 1.081 963 H CA -0.094 55.865 56.048 -0.148 0.000 1.432 963 H CB 1.397 31.212 29.762 0.088 0.000 1.462 963 H HN 0.577 nan 8.280 nan 0.000 0.557 964 S N 2.784 117.944 115.700 -0.899 0.000 2.515 964 S HA 0.212 4.680 4.470 -0.003 0.000 0.285 964 S C 1.214 175.599 174.600 -0.359 0.000 1.265 964 S CA 0.789 58.532 58.200 -0.761 0.000 1.079 964 S CB -0.360 62.489 63.200 -0.585 0.000 0.877 964 S HN 1.019 nan 8.310 nan 0.000 0.493 965 G N 3.983 112.866 108.800 0.138 0.000 2.279 965 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.223 965 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.223 965 G C 0.873 175.541 174.900 -0.387 0.000 1.015 965 G CA 0.587 45.592 45.100 -0.159 0.000 0.621 965 G HN 0.702 nan 8.290 nan 0.000 0.506 966 Q N 0.842 120.555 119.800 -0.146 0.000 2.234 966 Q HA -0.166 4.173 4.340 -0.003 0.000 0.206 966 Q C 2.456 178.466 176.000 0.016 0.000 0.980 966 Q CA 2.063 57.846 55.803 -0.034 0.000 0.869 966 Q CB -0.177 28.610 28.738 0.082 0.000 0.912 966 Q HN 0.790 nan 8.270 nan 0.000 0.436 967 E N -0.125 120.147 120.200 0.120 0.000 2.204 967 E HA -0.205 4.143 4.350 -0.003 0.000 0.194 967 E C 1.380 178.122 176.600 0.236 0.000 0.989 967 E CA 1.362 57.893 56.400 0.219 0.000 0.824 967 E CB -0.360 29.543 29.700 0.337 0.000 0.756 967 E HN 0.746 nan 8.360 nan 0.000 0.477 968 Y N -0.838 119.536 120.300 0.123 0.000 2.444 968 Y HA 0.546 5.094 4.550 -0.003 0.000 0.252 968 Y C 1.112 177.057 175.900 0.075 0.000 1.091 968 Y CA -0.059 58.089 58.100 0.079 0.000 1.276 968 Y CB 0.602 39.032 38.460 -0.050 0.000 1.170 968 Y HN 0.046 nan 8.280 nan 0.000 0.517 969 G N 1.716 110.272 108.800 -0.407 0.000 2.309 969 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.183 969 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.183 969 G C -0.170 174.378 174.900 -0.586 0.000 1.063 969 G CA -0.242 44.642 45.100 -0.361 0.000 0.768 969 G HN 0.605 nan 8.290 nan 0.000 0.490 970 R N 0.134 120.039 120.500 -0.991 0.000 2.640 970 R HA 0.458 4.797 4.340 -0.003 0.000 0.270 970 R C 0.056 176.210 176.300 -0.244 0.000 1.024 970 R CA 1.059 56.726 56.100 -0.721 0.000 1.085 970 R CB 0.463 30.373 30.300 -0.649 0.000 0.963 970 R HN 0.242 nan 8.270 nan 0.000 0.426 971 T N 2.319 116.805 114.554 -0.113 0.000 2.906 971 T HA 0.331 4.679 4.350 -0.003 0.000 0.295 971 T C -0.692 174.091 174.700 0.137 0.000 1.061 971 T CA -0.829 61.309 62.100 0.064 0.000 1.000 971 T CB 1.207 70.109 68.868 0.055 0.000 1.103 971 T HN 0.648 nan 8.240 nan 0.000 0.486 972 K N 2.916 123.462 120.400 0.243 0.000 3.109 972 K HA 0.227 4.545 4.320 -0.003 0.000 0.214 972 K C 0.483 177.221 176.600 0.231 0.000 1.196 972 K CA -0.496 55.919 56.287 0.213 0.000 1.115 972 K CB 0.305 32.928 32.500 0.205 0.000 1.103 972 K HN 0.473 nan 8.250 nan 0.000 0.467 973 R N 0.747 121.374 120.500 0.211 0.000 2.484 973 R HA 0.012 4.351 4.340 -0.003 0.000 0.293 973 R C -0.172 176.073 176.300 -0.091 0.000 1.023 973 R CA -0.365 55.716 56.100 -0.033 0.000 1.037 973 R CB 0.226 30.518 30.300 -0.013 0.000 0.951 973 R HN 0.038 nan 8.270 nan 0.000 0.418 974 L N 5.009 126.101 121.223 -0.218 0.000 2.399 974 L HA 0.132 4.470 4.340 -0.003 0.000 0.257 974 L C -0.471 176.244 176.870 -0.259 0.000 1.236 974 L CA -0.344 54.429 54.840 -0.112 0.000 1.144 974 L CB 0.241 42.260 42.059 -0.066 0.000 1.379 974 L HN 0.631 nan 8.230 nan 0.000 0.414 975 L N 3.182 123.994 121.223 -0.684 0.000 2.650 975 L HA 0.246 4.584 4.340 -0.003 0.000 0.239 975 L C 0.187 176.576 176.870 -0.802 0.000 1.412 975 L CA 0.257 54.319 54.840 -1.296 0.000 1.219 975 L CB -1.595 39.392 42.059 -1.786 0.000 1.534 975 L HN 0.484 nan 8.230 nan 0.000 0.430 976 N N 0.287 118.894 118.700 -0.154 0.000 2.392 976 N HA 0.339 5.077 4.740 -0.003 0.000 0.283 976 N C -1.771 173.905 175.510 0.276 0.000 1.003 976 N CA -2.089 51.035 53.050 0.123 0.000 0.892 976 N CB 2.218 40.866 38.487 0.268 0.000 1.193 976 N HN -0.137 nan 8.380 nan 0.000 0.487 977 P HA -0.140 nan 4.420 nan 0.000 0.216 977 P C 0.157 177.465 177.300 0.013 0.000 1.157 977 P CA 1.338 64.522 63.100 0.141 0.000 0.880 977 P CB 0.279 32.020 31.700 0.068 0.000 0.791 978 D N -2.583 117.755 120.400 -0.102 0.000 2.403 978 D HA -0.107 4.531 4.640 -0.003 0.000 0.227 978 D C 0.052 175.937 176.300 -0.692 0.000 0.995 978 D CA 1.010 54.776 54.000 -0.391 0.000 0.928 978 D CB -0.308 40.183 40.800 -0.515 0.000 0.887 978 D HN 0.395 nan 8.370 nan 0.000 0.529 979 Y N -0.450 119.883 120.300 0.054 0.000 2.501 979 Y HA 0.288 4.837 4.550 -0.002 0.000 0.331 979 Y C 1.257 177.263 175.900 0.177 0.000 0.950 979 Y CA -0.335 57.818 58.100 0.089 0.000 1.120 979 Y CB 0.412 38.876 38.460 0.007 0.000 1.154 979 Y HN -0.215 nan 8.280 nan 0.000 0.630 980 M N -0.011 119.652 119.600 0.104 0.000 2.466 980 M HA 0.065 4.543 4.480 -0.003 0.000 0.265 980 M C 0.542 176.792 176.300 -0.084 0.000 1.122 980 M CA 0.943 56.150 55.300 -0.154 0.000 1.157 980 M CB 0.725 33.129 32.600 -0.328 0.000 1.352 980 M HN 0.431 nan 8.290 nan 0.000 0.464 981 T N -2.165 112.405 114.554 0.026 0.000 2.916 981 T HA 0.333 4.681 4.350 -0.003 0.000 0.292 981 T C -0.510 174.302 174.700 0.187 0.000 1.064 981 T CA -1.055 61.075 62.100 0.049 0.000 1.011 981 T CB 2.054 70.922 68.868 -0.000 0.000 1.152 981 T HN 0.120 nan 8.240 nan 0.000 0.510 982 K N 0.742 121.229 120.400 0.146 0.000 2.518 982 K HA 0.313 4.632 4.320 -0.003 0.000 0.276 982 K C -0.816 175.928 176.600 0.240 0.000 0.974 982 K CA -0.130 56.303 56.287 0.243 0.000 0.986 982 K CB 0.022 32.583 32.500 0.101 0.000 0.901 982 K HN 0.497 nan 8.250 nan 0.000 0.497 983 V N 1.842 121.940 119.914 0.305 0.000 3.074 983 V HA 0.209 4.327 4.120 -0.003 0.000 0.314 983 V C 0.082 176.267 176.094 0.151 0.000 1.117 983 V CA -1.034 61.369 62.300 0.172 0.000 1.014 983 V CB 1.891 33.800 31.823 0.143 0.000 1.057 983 V HN 0.957 nan 8.190 nan 0.000 0.438 987 K N 2.258 122.685 120.400 0.045 0.000 2.180 987 K HA 0.277 4.595 4.320 -0.003 0.000 0.250 987 K C -0.605 176.027 176.600 0.054 0.000 1.135 987 K CA -0.243 56.071 56.287 0.044 0.000 1.037 987 K CB 0.033 32.557 32.500 0.040 0.000 1.624 987 K HN -0.007 nan 8.250 nan 0.000 0.382 988 L N 3.740 124.986 121.223 0.037 0.000 2.399 988 L HA 0.528 4.866 4.340 -0.003 0.000 0.265 988 L C -1.685 175.139 176.870 -0.077 0.000 1.089 988 L CA -2.341 52.499 54.840 0.001 0.000 0.802 988 L CB 0.022 42.101 42.059 0.034 0.000 1.180 988 L HN 0.519 nan 8.230 nan 0.000 0.454 989 P HA 0.192 nan 4.420 nan 0.000 0.276 989 P C -0.668 176.481 177.300 -0.252 0.000 1.244 989 P CA -0.604 62.239 63.100 -0.429 0.000 0.801 989 P CB 0.580 31.627 31.700 -1.088 0.000 1.006 990 N N 1.764 120.335 118.700 -0.215 0.000 2.497 990 N HA 0.019 4.757 4.740 -0.003 0.000 0.268 990 N C -0.021 175.399 175.510 -0.150 0.000 1.171 990 N CA 0.116 53.090 53.050 -0.126 0.000 0.948 990 N CB -0.071 38.351 38.487 -0.109 0.000 1.069 990 N HN 0.194 nan 8.380 nan 0.000 0.460 991 K N -0.630 119.708 120.400 -0.104 0.000 3.077 991 K HA -0.195 4.124 4.320 -0.003 0.000 0.264 991 K C -1.146 175.151 176.600 -0.505 0.000 1.008 991 K CA 0.779 56.874 56.287 -0.321 0.000 0.740 991 K CB -2.134 30.199 32.500 -0.279 0.000 1.273 991 K HN 0.543 nan 8.250 nan 0.000 0.477 992 A N 0.091 122.881 122.820 -0.050 0.000 2.374 992 A HA 0.752 5.071 4.320 -0.003 0.000 0.317 992 A C -0.002 177.855 177.584 0.456 0.000 1.094 992 A CA -0.395 51.738 52.037 0.160 0.000 0.765 992 A CB 1.351 20.377 19.000 0.043 0.000 1.268 992 A HN 0.104 nan 8.150 nan 0.000 0.438 993 T N 1.674 116.526 114.554 0.497 0.000 2.856 993 T HA 0.552 4.900 4.350 -0.003 0.000 0.283 993 T C -0.512 174.381 174.700 0.320 0.000 1.008 993 T CA -0.284 62.031 62.100 0.358 0.000 0.997 993 T CB 1.259 70.278 68.868 0.251 0.000 0.992 993 T HN 0.592 nan 8.240 nan 0.000 0.454 994 L N 2.934 124.249 121.223 0.153 0.000 2.309 994 L HA 0.663 5.002 4.340 -0.003 0.000 0.282 994 L C -1.381 175.493 176.870 0.007 0.000 1.036 994 L CA -0.872 53.928 54.840 -0.065 0.000 0.806 994 L CB 0.694 42.634 42.059 -0.199 0.000 1.220 994 L HN 0.520 nan 8.230 nan 0.000 0.429 995 I N 3.797 124.391 120.570 0.040 0.000 2.362 995 I HA 0.258 4.427 4.170 -0.003 0.000 0.289 995 I C 0.682 176.792 176.117 -0.012 0.000 0.994 995 I CA -0.062 61.249 61.300 0.018 0.000 1.158 995 I CB 1.655 39.676 38.000 0.035 0.000 1.315 995 I HN 0.616 nan 8.210 nan 0.000 0.451 996 E N 4.194 124.376 120.200 -0.030 0.000 2.031 996 E HA -0.164 4.185 4.350 -0.003 0.000 0.193 996 E C 2.192 178.782 176.600 -0.017 0.000 0.994 996 E CA 1.811 58.193 56.400 -0.030 0.000 0.800 996 E CB -0.226 29.458 29.700 -0.027 0.000 0.752 996 E HN 0.742 nan 8.360 nan 0.000 0.447 997 A N 0.869 123.681 122.820 -0.013 0.000 1.927 997 A HA -0.170 4.149 4.320 -0.003 0.000 0.220 997 A C 1.488 179.078 177.584 0.011 0.000 1.185 997 A CA 1.255 53.288 52.037 -0.006 0.000 0.639 997 A CB -0.745 18.247 19.000 -0.013 0.000 0.820 997 A HN 0.185 nan 8.150 nan 0.000 0.451 998 V N 0.073 120.007 119.914 0.034 0.000 2.614 998 V HA 0.222 4.340 4.120 -0.003 0.000 0.291 998 V C 0.780 176.890 176.094 0.026 0.000 1.049 998 V CA -0.256 62.082 62.300 0.063 0.000 1.038 998 V CB 0.977 32.895 31.823 0.159 0.000 0.980 998 V HN 0.479 nan 8.190 nan 0.000 0.481 999 K N 3.872 124.280 120.400 0.013 0.000 2.190 999 K HA 0.200 4.518 4.320 -0.003 0.000 0.202 999 K C 0.481 177.047 176.600 -0.056 0.000 1.045 999 K CA 0.423 56.697 56.287 -0.021 0.000 0.976 999 K CB 0.012 32.498 32.500 -0.024 0.000 0.849 999 K HN 0.695 nan 8.250 nan 0.000 0.468 1000 E N 0.768 120.937 120.200 -0.052 0.000 2.130 1000 E HA 0.126 4.475 4.350 -0.003 0.000 0.284 1000 E C -1.250 175.319 176.600 -0.052 0.000 1.018 1000 E CA -0.304 56.002 56.400 -0.157 0.000 0.817 1000 E CB -0.128 29.513 29.700 -0.099 0.000 1.078 1000 E HN 0.111 nan 8.360 nan 0.000 0.396 1001 Y N 3.566 123.852 120.300 -0.024 0.000 2.942 1001 Y HA -0.202 4.346 4.550 -0.002 0.000 0.149 1001 Y C -1.706 174.097 175.900 -0.161 0.000 1.751 1001 Y CA 0.110 58.167 58.100 -0.071 0.000 0.938 1001 Y CB -0.571 37.810 38.460 -0.132 0.000 1.525 1001 Y HN 0.640 nan 8.280 nan 0.000 0.350 1002 P HA -0.027 nan 4.420 nan 0.000 0.255 1002 P C -0.335 176.804 177.300 -0.267 0.000 1.248 1002 P CA 0.775 63.809 63.100 -0.110 0.000 0.807 1002 P CB 0.328 31.900 31.700 -0.213 0.000 1.150 1003 Y N 0.247 120.414 120.300 -0.223 0.000 2.330 1003 Y HA 0.456 5.004 4.550 -0.003 0.000 0.336 1003 Y C 0.306 175.916 175.900 -0.483 0.000 1.036 1003 Y CA -0.419 57.582 58.100 -0.165 0.000 1.125 1003 Y CB 0.785 39.187 38.460 -0.097 0.000 1.194 1003 Y HN -0.243 nan 8.280 nan 0.000 0.469 1004 F N 3.518 123.597 119.950 0.215 0.000 2.547 1004 F HA 0.452 4.977 4.527 -0.002 0.000 0.316 1004 F C -0.645 175.252 175.800 0.162 0.000 1.121 1004 F CA -1.113 56.984 58.000 0.162 0.000 0.911 1004 F CB 1.200 40.282 39.000 0.138 0.000 1.179 1004 F HN 0.153 nan 8.300 nan 0.000 0.443 1005 I N 3.963 124.676 120.570 0.238 0.000 2.441 1005 I HA 0.070 4.238 4.170 -0.003 0.000 0.287 1005 I C 1.162 177.375 176.117 0.161 0.000 1.049 1005 I CA -0.173 61.184 61.300 0.095 0.000 1.381 1005 I CB 0.800 38.800 38.000 -0.000 0.000 1.409 1005 I HN 0.773 nan 8.210 nan 0.000 0.523 1006 H N 2.419 121.592 119.070 0.172 0.000 2.652 1006 H HA 0.293 4.848 4.556 -0.003 0.000 0.274 1006 H C -0.709 174.748 175.328 0.216 0.000 1.021 1006 H CA -0.194 55.964 56.048 0.183 0.000 1.187 1006 H CB 0.913 30.773 29.762 0.165 0.000 1.505 1006 H HN 0.499 nan 8.280 nan 0.000 0.530 1007 D N 1.525 121.928 120.400 0.005 0.000 2.527 1007 D HA 0.031 4.670 4.640 -0.003 0.000 0.242 1007 D C 0.043 176.315 176.300 -0.048 0.000 1.285 1007 D CA -0.227 53.852 54.000 0.132 0.000 0.886 1007 D CB 0.803 41.669 40.800 0.110 0.000 1.402 1007 D HN 0.219 nan 8.370 nan 0.000 0.528 1008 S N 1.523 117.153 115.700 -0.117 0.000 2.685 1008 S HA 0.006 4.474 4.470 -0.003 0.000 0.240 1008 S C 1.699 175.771 174.600 -0.880 0.000 0.967 1008 S CA -0.543 57.462 58.200 -0.325 0.000 1.009 1008 S CB -0.861 62.324 63.200 -0.024 0.000 0.776 1008 S HN 0.517 nan 8.310 nan 0.000 0.467 1009 Y N 0.625 120.018 120.300 -1.512 0.000 2.256 1009 Y HA 0.065 4.613 4.550 -0.003 0.000 0.288 1009 Y C 1.386 176.990 175.900 -0.493 0.000 1.155 1009 Y CA 1.387 58.614 58.100 -1.455 0.000 1.203 1009 Y CB -0.331 37.651 38.460 -0.797 0.000 0.980 1009 Y HN 0.360 nan 8.280 nan 0.000 0.530 1010 D N 0.315 119.999 120.400 -1.193 0.000 2.501 1010 D HA 0.214 4.852 4.640 -0.003 0.000 0.226 1010 D C -0.557 175.467 176.300 -0.460 0.000 1.198 1010 D CA -0.071 53.431 54.000 -0.829 0.000 0.830 1010 D CB 0.217 40.320 40.800 -1.161 0.000 1.014 1010 D HN 0.252 nan 8.370 nan 0.000 0.496 1011 S N -0.722 114.726 115.700 -0.421 0.000 2.687 1011 S HA 0.483 4.951 4.470 -0.003 0.000 0.283 1011 S C 0.268 174.629 174.600 -0.399 0.000 1.170 1011 S CA -0.756 57.228 58.200 -0.361 0.000 1.008 1011 S CB 1.550 64.548 63.200 -0.336 0.000 1.026 1011 S HN 0.307 nan 8.310 nan 0.000 0.541 1012 S N 0.632 116.144 115.700 -0.313 0.000 2.617 1012 S HA 0.154 4.622 4.470 -0.003 0.000 0.259 1012 S C 0.331 174.705 174.600 -0.377 0.000 1.301 1012 S CA -0.396 57.632 58.200 -0.288 0.000 0.984 1012 S CB 0.164 63.221 63.200 -0.239 0.000 0.954 1012 S HN 0.624 nan 8.310 nan 0.000 0.572 1013 D N 1.003 121.247 120.400 -0.260 0.000 2.219 1013 D HA -0.020 4.618 4.640 -0.003 0.000 0.205 1013 D C 2.155 178.358 176.300 -0.162 0.000 0.970 1013 D CA 1.459 55.351 54.000 -0.180 0.000 0.851 1013 D CB -0.811 39.952 40.800 -0.062 0.000 0.943 1013 D HN 0.685 nan 8.370 nan 0.000 0.488 1014 A N 1.198 123.823 122.820 -0.326 0.000 1.940 1014 A HA -0.152 4.166 4.320 -0.003 0.000 0.219 1014 A C 2.175 179.563 177.584 -0.326 0.000 1.176 1014 A CA 0.893 52.611 52.037 -0.532 0.000 0.631 1014 A CB -0.374 17.930 19.000 -1.160 0.000 0.814 1014 A HN 0.131 nan 8.150 nan 0.000 0.446 1015 I N -0.580 119.819 120.570 -0.285 0.000 2.406 1015 I HA -0.103 4.065 4.170 -0.003 0.000 0.249 1015 I C 1.393 177.475 176.117 -0.059 0.000 1.122 1015 I CA 1.360 62.601 61.300 -0.097 0.000 1.431 1015 I CB -1.377 36.553 38.000 -0.118 0.000 1.087 1015 I HN 0.381 nan 8.210 nan 0.000 0.424 1016 N N -0.801 117.817 118.700 -0.138 0.000 2.236 1016 N HA -0.014 4.724 4.740 -0.003 0.000 0.196 1016 N C 0.320 175.859 175.510 0.048 0.000 1.114 1016 N CA -0.242 52.741 53.050 -0.112 0.000 0.859 1016 N CB 0.144 38.334 38.487 -0.495 0.000 0.982 1016 N HN 0.509 nan 8.380 nan 0.000 0.493 1017 H N -0.832 118.231 119.070 -0.012 0.000 2.732 1017 H HA 0.110 4.664 4.556 -0.003 0.000 0.351 1017 H C -0.455 174.946 175.328 0.121 0.000 1.090 1017 H CA -0.720 55.376 56.048 0.080 0.000 1.431 1017 H CB 0.345 30.129 29.762 0.035 0.000 1.447 1017 H HN -0.051 nan 8.280 nan 0.000 0.582 1018 F N 2.979 122.895 119.950 -0.056 0.000 2.495 1018 F HA 0.075 4.600 4.527 -0.003 0.000 0.365 1018 F C 0.240 175.777 175.800 -0.437 0.000 1.090 1018 F CA -0.297 57.569 58.000 -0.223 0.000 1.235 1018 F CB 0.575 39.428 39.000 -0.244 0.000 1.119 1018 F HN 0.717 nan 8.300 nan 0.000 0.562 1019 D N 6.358 126.120 120.400 -1.063 0.000 2.441 1019 D HA 0.006 4.644 4.640 -0.003 0.000 0.221 1019 D C 0.310 175.929 176.300 -1.135 0.000 1.156 1019 D CA -0.069 53.395 54.000 -0.892 0.000 0.896 1019 D CB 0.307 40.633 40.800 -0.789 0.000 1.028 1019 D HN 0.720 nan 8.370 nan 0.000 0.509 1020 W N 2.689 123.711 121.300 -0.463 0.000 2.436 1020 W HA -0.074 4.584 4.660 -0.003 0.000 0.284 1020 W C 2.398 178.701 176.519 -0.359 0.000 1.225 1020 W CA 0.614 57.735 57.345 -0.374 0.000 1.271 1020 W CB -0.021 29.314 29.460 -0.209 0.000 1.114 1020 W HN 0.526 nan 8.180 nan 0.000 0.559 1021 A N 0.629 123.379 122.820 -0.116 0.000 1.877 1021 A HA -0.123 4.195 4.320 -0.003 0.000 0.216 1021 A C 2.081 179.451 177.584 -0.356 0.000 1.186 1021 A CA 2.421 54.376 52.037 -0.137 0.000 0.620 1021 A CB -1.359 17.599 19.000 -0.070 0.000 0.822 1021 A HN 0.186 nan 8.150 nan 0.000 0.443 1022 A N -0.571 121.818 122.820 -0.719 0.000 2.024 1022 A HA 0.169 4.488 4.320 -0.003 0.000 0.220 1022 A C 2.346 179.578 177.584 -0.586 0.000 1.164 1022 A CA 2.095 53.648 52.037 -0.806 0.000 0.643 1022 A CB -0.694 17.770 19.000 -0.893 0.000 0.806 1022 A HN 1.057 nan 8.150 nan 0.000 0.451 1023 A N -1.318 121.085 122.820 -0.697 0.000 2.030 1023 A HA 0.172 4.490 4.320 -0.003 0.000 0.215 1023 A C 2.042 179.615 177.584 -0.019 0.000 1.164 1023 A CA 1.961 53.763 52.037 -0.392 0.000 0.697 1023 A CB -0.268 18.361 19.000 -0.619 0.000 0.827 1023 A HN 0.773 nan 8.150 nan 0.000 0.457 1024 T N -4.910 109.643 114.554 -0.001 0.000 3.009 1024 T HA 0.142 4.490 4.350 -0.003 0.000 0.267 1024 T C 0.032 174.783 174.700 0.086 0.000 0.942 1024 T CA 0.230 62.397 62.100 0.111 0.000 0.883 1024 T CB -0.016 68.952 68.868 0.166 0.000 1.192 1024 T HN 0.129 nan 8.240 nan 0.000 0.524 1025 D N 2.549 122.987 120.400 0.064 0.000 2.494 1025 D HA 0.225 4.864 4.640 -0.003 0.000 0.217 1025 D C 0.491 176.851 176.300 0.100 0.000 1.153 1025 D CA -0.188 53.864 54.000 0.087 0.000 0.954 1025 D CB 0.306 41.173 40.800 0.112 0.000 1.034 1025 D HN 0.132 nan 8.370 nan 0.000 0.518 1026 N N 3.086 121.832 118.700 0.078 0.000 2.061 1026 N HA -0.197 4.541 4.740 -0.003 0.000 0.193 1026 N C 1.211 176.749 175.510 0.046 0.000 1.030 1026 N CA 0.929 54.019 53.050 0.067 0.000 0.856 1026 N CB -0.102 38.421 38.487 0.060 0.000 1.023 1026 N HN 0.425 nan 8.380 nan 0.000 0.424 1027 N N 1.317 120.037 118.700 0.034 0.000 2.025 1027 N HA -0.108 4.631 4.740 -0.003 0.000 0.194 1027 N C 1.678 177.171 175.510 -0.028 0.000 1.044 1027 N CA 1.155 54.209 53.050 0.006 0.000 0.851 1027 N CB -0.286 38.205 38.487 0.006 0.000 1.036 1027 N HN 0.388 nan 8.380 nan 0.000 0.422 1028 K N -0.552 119.830 120.400 -0.030 0.000 2.057 1028 K HA -0.051 4.267 4.320 -0.003 0.000 0.206 1028 K C -0.033 176.320 176.600 -0.413 0.000 1.050 1028 K CA 1.019 57.194 56.287 -0.187 0.000 0.935 1028 K CB -0.070 32.361 32.500 -0.114 0.000 0.715 1028 K HN 0.389 nan 8.250 nan 0.000 0.439 1029 H N -0.752 118.305 119.070 -0.021 0.000 2.423 1029 H HA 0.158 4.713 4.556 -0.003 0.000 0.237 1029 H C -2.218 173.092 175.328 -0.031 0.000 1.391 1029 H CA -1.819 54.209 56.048 -0.032 0.000 1.453 1029 H CB 1.176 30.911 29.762 -0.045 0.000 1.484 1029 H HN 0.021 nan 8.280 nan 0.000 0.505 1030 P HA -0.140 nan 4.420 nan 0.000 0.219 1030 P C 1.221 178.517 177.300 -0.007 0.000 1.150 1030 P CA 0.776 63.885 63.100 0.015 0.000 0.814 1030 P CB 0.477 32.172 31.700 -0.008 0.000 0.787 1031 I N -0.007 120.527 120.570 -0.060 0.000 2.233 1031 I HA -0.130 4.038 4.170 -0.003 0.000 0.243 1031 I C 2.264 178.247 176.117 -0.223 0.000 1.093 1031 I CA 1.883 63.072 61.300 -0.185 0.000 1.380 1031 I CB -2.038 35.770 38.000 -0.319 0.000 1.067 1031 I HN 0.059 nan 8.210 nan 0.000 0.413 1032 S N 0.586 116.215 115.700 -0.117 0.000 2.387 1032 S HA -0.133 4.335 4.470 -0.003 0.000 0.226 1032 S C 2.012 176.706 174.600 0.157 0.000 1.026 1032 S CA 1.413 59.675 58.200 0.104 0.000 0.972 1032 S CB -1.249 62.057 63.200 0.177 0.000 0.814 1032 S HN 0.591 nan 8.310 nan 0.000 0.477 1033 T N 0.143 114.760 114.554 0.104 0.000 2.915 1033 T HA 0.042 4.390 4.350 -0.003 0.000 0.269 1033 T C 1.662 176.444 174.700 0.135 0.000 1.071 1033 T CA 1.227 63.400 62.100 0.121 0.000 1.132 1033 T CB -0.373 68.555 68.868 0.100 0.000 0.878 1033 T HN 0.518 nan 8.240 nan 0.000 0.479 1034 K N 1.018 121.480 120.400 0.104 0.000 2.025 1034 K HA -0.080 4.238 4.320 -0.003 0.000 0.207 1034 K C 2.333 179.035 176.600 0.170 0.000 1.049 1034 K CA 1.548 57.902 56.287 0.111 0.000 0.933 1034 K CB -0.485 32.043 32.500 0.046 0.000 0.714 1034 K HN 0.300 nan 8.250 nan 0.000 0.438 1035 T N 1.096 115.760 114.554 0.184 0.000 2.788 1035 T HA -0.206 4.142 4.350 -0.003 0.000 0.268 1035 T C 1.730 176.602 174.700 0.286 0.000 1.044 1035 T CA 1.739 63.992 62.100 0.255 0.000 1.139 1035 T CB -0.227 68.865 68.868 0.373 0.000 0.867 1035 T HN 0.422 nan 8.240 nan 0.000 0.454 1036 Q N 2.049 122.011 119.800 0.269 0.000 2.016 1036 Q HA 0.078 4.416 4.340 -0.003 0.000 0.200 1036 Q C 2.323 178.460 176.000 0.228 0.000 0.978 1036 Q CA 2.074 58.041 55.803 0.273 0.000 0.833 1036 Q CB -0.912 28.003 28.738 0.295 0.000 0.895 1036 Q HN 0.393 nan 8.270 nan 0.000 0.427 1037 A N -0.443 122.501 122.820 0.207 0.000 1.908 1037 A HA -0.180 4.139 4.320 -0.003 0.000 0.218 1037 A C 2.108 179.801 177.584 0.181 0.000 1.181 1037 A CA 1.500 53.639 52.037 0.169 0.000 0.627 1037 A CB -1.234 17.858 19.000 0.154 0.000 0.818 1037 A HN 0.623 nan 8.150 nan 0.000 0.445 1038 Y N 1.220 121.575 120.300 0.092 0.000 2.128 1038 Y HA -0.212 4.337 4.550 -0.003 0.000 0.284 1038 Y C 2.801 178.746 175.900 0.076 0.000 1.154 1038 Y CA 2.381 60.530 58.100 0.081 0.000 1.149 1038 Y CB -0.601 37.913 38.460 0.091 0.000 0.976 1038 Y HN 0.343 nan 8.280 nan 0.000 0.505 1039 T N 0.224 114.914 114.554 0.228 0.000 2.821 1039 T HA -0.181 4.167 4.350 -0.003 0.000 0.267 1039 T C 2.123 176.856 174.700 0.055 0.000 1.046 1039 T CA 1.198 63.381 62.100 0.138 0.000 1.139 1039 T CB -0.765 68.214 68.868 0.185 0.000 0.871 1039 T HN 0.467 nan 8.240 nan 0.000 0.454 1040 A N 1.629 124.484 122.820 0.060 0.000 1.883 1040 A HA 0.029 4.347 4.320 -0.003 0.000 0.217 1040 A C 2.660 180.232 177.584 -0.021 0.000 1.186 1040 A CA 2.000 54.043 52.037 0.010 0.000 0.624 1040 A CB -1.472 17.537 19.000 0.016 0.000 0.822 1040 A HN 0.513 nan 8.150 nan 0.000 0.444 1041 G N -0.386 108.392 108.800 -0.038 0.000 2.422 1041 G HA2 -0.154 3.804 3.960 -0.003 0.000 0.218 1041 G HA3 -0.154 3.804 3.960 -0.003 0.000 0.218 1041 G C 1.553 176.386 174.900 -0.111 0.000 1.146 1041 G CA 1.065 46.120 45.100 -0.076 0.000 0.769 1041 G HN 0.445 nan 8.290 nan 0.000 0.547 1042 L N -0.009 121.121 121.223 -0.155 0.000 2.046 1042 L HA 0.000 4.339 4.340 -0.003 0.000 0.208 1042 L C 2.825 179.632 176.870 -0.104 0.000 1.077 1042 L CA 0.639 55.383 54.840 -0.160 0.000 0.747 1042 L CB -0.323 41.644 42.059 -0.153 0.000 0.896 1042 L HN 0.189 nan 8.230 nan 0.000 0.432 1043 I N -0.604 119.933 120.570 -0.056 0.000 2.179 1043 I HA -0.277 3.891 4.170 -0.003 0.000 0.242 1043 I C 2.524 178.626 176.117 -0.024 0.000 1.088 1043 I CA 1.559 62.842 61.300 -0.029 0.000 1.357 1043 I CB -0.574 37.419 38.000 -0.012 0.000 1.051 1043 I HN 0.268 nan 8.210 nan 0.000 0.409 1044 T N 1.453 115.992 114.554 -0.025 0.000 2.665 1044 T HA -0.247 4.101 4.350 -0.003 0.000 0.268 1044 T C 1.858 176.559 174.700 0.001 0.000 1.035 1044 T CA 1.722 63.817 62.100 -0.009 0.000 1.151 1044 T CB -0.507 68.357 68.868 -0.007 0.000 0.862 1044 T HN 0.207 nan 8.240 nan 0.000 0.438 1045 L N 1.373 122.586 121.223 -0.018 0.000 2.012 1045 L HA -0.019 4.319 4.340 -0.003 0.000 0.210 1045 L C 2.552 179.430 176.870 0.013 0.000 1.073 1045 L CA 1.858 56.696 54.840 -0.003 0.000 0.748 1045 L CB -0.608 41.425 42.059 -0.044 0.000 0.891 1045 L HN 0.088 nan 8.230 nan 0.000 0.431 1046 R N -0.948 119.528 120.500 -0.039 0.000 2.105 1046 R HA -0.150 4.188 4.340 -0.003 0.000 0.239 1046 R C 2.226 178.577 176.300 0.086 0.000 1.135 1046 R CA 1.274 57.386 56.100 0.021 0.000 0.967 1046 R CB -0.115 30.158 30.300 -0.045 0.000 0.861 1046 R HN 0.319 nan 8.270 nan 0.000 0.442 1047 R N 0.063 120.594 120.500 0.052 0.000 2.148 1047 R HA -0.023 4.315 4.340 -0.003 0.000 0.223 1047 R C 2.121 178.454 176.300 0.054 0.000 1.088 1047 R CA 1.342 57.477 56.100 0.058 0.000 0.985 1047 R CB -0.242 30.084 30.300 0.043 0.000 0.880 1047 R HN 0.345 nan 8.270 nan 0.000 0.451 1048 S N -0.613 115.118 115.700 0.051 0.000 2.603 1048 S HA 0.016 4.484 4.470 -0.003 0.000 0.220 1048 S C 0.682 175.308 174.600 0.043 0.000 0.967 1048 S CA 0.086 58.317 58.200 0.052 0.000 0.920 1048 S CB 0.158 63.397 63.200 0.064 0.000 0.773 1048 S HN 0.174 nan 8.310 nan 0.000 0.529 1049 T N 1.282 115.844 114.554 0.015 0.000 3.193 1049 T HA 0.322 4.670 4.350 -0.003 0.000 0.332 1049 T C -1.020 173.644 174.700 -0.060 0.000 1.208 1049 T CA -0.296 61.776 62.100 -0.046 0.000 1.080 1049 T CB 1.488 70.216 68.868 -0.234 0.000 1.180 1049 T HN 0.183 nan 8.240 nan 0.000 0.469 1050 D N 3.091 123.460 120.400 -0.053 0.000 2.324 1050 D HA 0.244 4.882 4.640 -0.003 0.000 0.235 1050 D C 1.766 177.994 176.300 -0.119 0.000 1.095 1050 D CA 0.525 54.495 54.000 -0.051 0.000 0.871 1050 D CB -0.011 40.772 40.800 -0.028 0.000 0.906 1050 D HN 0.564 nan 8.370 nan 0.000 0.522 1051 A N -0.001 122.658 122.820 -0.269 0.000 1.972 1051 A HA -0.055 4.264 4.320 -0.003 0.000 0.219 1051 A C 1.291 178.586 177.584 -0.482 0.000 1.169 1051 A CA 0.763 52.539 52.037 -0.435 0.000 0.635 1051 A CB -0.722 17.859 19.000 -0.698 0.000 0.810 1051 A HN 0.313 nan 8.150 nan 0.000 0.446 1052 F N -0.809 119.106 119.950 -0.058 0.000 2.695 1052 F HA 0.242 4.767 4.527 -0.003 0.000 0.303 1052 F C 1.142 176.926 175.800 -0.028 0.000 1.091 1052 F CA 0.129 58.108 58.000 -0.035 0.000 1.300 1052 F CB 0.331 39.303 39.000 -0.046 0.000 1.071 1052 F HN 0.061 nan 8.300 nan 0.000 0.578 1053 R N 0.572 121.121 120.500 0.083 0.000 2.795 1053 R HA 0.233 4.571 4.340 -0.003 0.000 0.320 1053 R C -0.099 176.197 176.300 -0.006 0.000 1.223 1053 R CA -0.331 55.796 56.100 0.045 0.000 1.305 1053 R CB 0.576 30.905 30.300 0.049 0.000 1.318 1053 R HN 0.034 nan 8.270 nan 0.000 0.636 1054 K N 0.559 120.948 120.400 -0.018 0.000 2.149 1054 K HA 0.148 4.466 4.320 -0.003 0.000 0.245 1054 K C 0.708 177.282 176.600 -0.044 0.000 1.024 1054 K CA -0.200 56.065 56.287 -0.037 0.000 0.899 1054 K CB 0.878 33.352 32.500 -0.042 0.000 1.038 1054 K HN 0.010 nan 8.250 nan 0.000 0.496 1055 L N -0.154 121.039 121.223 -0.049 0.000 2.388 1055 L HA 0.021 4.360 4.340 -0.003 0.000 0.209 1055 L C 0.820 177.654 176.870 -0.060 0.000 1.061 1055 L CA 0.502 55.307 54.840 -0.058 0.000 0.834 1055 L CB 0.006 42.031 42.059 -0.057 0.000 1.029 1055 L HN 0.639 nan 8.230 nan 0.000 0.473 1056 S N -1.718 113.949 115.700 -0.055 0.000 2.568 1056 S HA 0.356 4.824 4.470 -0.003 0.000 0.293 1056 S C 0.564 175.129 174.600 -0.059 0.000 1.089 1056 S CA -0.775 57.391 58.200 -0.057 0.000 0.945 1056 S CB 2.139 65.309 63.200 -0.049 0.000 1.077 1056 S HN 0.107 nan 8.310 nan 0.000 0.485 1057 K N 0.862 121.224 120.400 -0.064 0.000 2.097 1057 K HA -0.083 4.236 4.320 -0.003 0.000 0.206 1057 K C 2.080 178.648 176.600 -0.054 0.000 1.049 1057 K CA 1.384 57.630 56.287 -0.069 0.000 0.933 1057 K CB -0.792 31.664 32.500 -0.073 0.000 0.717 1057 K HN 0.756 nan 8.250 nan 0.000 0.442 1058 A N 2.282 125.076 122.820 -0.044 0.000 1.873 1058 A HA -0.261 4.058 4.320 -0.003 0.000 0.218 1058 A C 1.964 179.532 177.584 -0.026 0.000 1.193 1058 A CA 2.131 54.149 52.037 -0.032 0.000 0.629 1058 A CB -0.729 18.254 19.000 -0.029 0.000 0.826 1058 A HN 0.715 nan 8.150 nan 0.000 0.447 1059 E N -0.466 119.717 120.200 -0.029 0.000 2.216 1059 E HA -0.057 4.291 4.350 -0.003 0.000 0.192 1059 E C 1.895 178.482 176.600 -0.021 0.000 0.988 1059 E CA 0.928 57.315 56.400 -0.022 0.000 0.834 1059 E CB -0.376 29.309 29.700 -0.024 0.000 0.772 1059 E HN 0.638 nan 8.360 nan 0.000 0.479 1060 I N 2.165 122.713 120.570 -0.037 0.000 2.163 1060 I HA -0.228 3.940 4.170 -0.003 0.000 0.240 1060 I C 1.887 177.984 176.117 -0.033 0.000 1.081 1060 I CA 1.360 62.632 61.300 -0.047 0.000 1.353 1060 I CB -0.262 37.689 38.000 -0.083 0.000 1.054 1060 I HN 0.024 nan 8.210 nan 0.000 0.407 1061 D N 0.666 121.045 120.400 -0.034 0.000 2.221 1061 D HA -0.163 4.475 4.640 -0.003 0.000 0.204 1061 D C 2.342 178.664 176.300 0.037 0.000 0.982 1061 D CA 1.204 55.202 54.000 -0.004 0.000 0.857 1061 D CB -0.092 40.701 40.800 -0.012 0.000 0.934 1061 D HN 0.331 nan 8.370 nan 0.000 0.475 1062 R N 0.168 120.682 120.500 0.024 0.000 2.080 1062 R HA 0.069 4.408 4.340 -0.003 0.000 0.222 1062 R C 1.840 178.171 176.300 0.053 0.000 1.107 1062 R CA 0.750 56.870 56.100 0.034 0.000 0.980 1062 R CB 0.133 30.442 30.300 0.015 0.000 0.879 1062 R HN 0.173 nan 8.270 nan 0.000 0.439 1063 E N -0.148 120.080 120.200 0.046 0.000 2.476 1063 E HA 0.089 4.438 4.350 -0.003 0.000 0.199 1063 E C -0.596 176.059 176.600 0.091 0.000 1.021 1063 E CA -0.014 56.420 56.400 0.056 0.000 0.907 1063 E CB 1.161 30.877 29.700 0.026 0.000 0.974 1063 E HN -0.040 nan 8.360 nan 0.000 0.489 1064 V N 1.954 121.932 119.914 0.108 0.000 2.347 1064 V HA 0.246 4.365 4.120 -0.003 0.000 0.280 1064 V C -0.245 176.049 176.094 0.333 0.000 1.021 1064 V CA -0.570 61.836 62.300 0.175 0.000 0.847 1064 V CB 1.434 33.300 31.823 0.072 0.000 0.990 1064 V HN 0.019 nan 8.190 nan 0.000 0.444 1065 S N 5.133 121.048 115.700 0.358 0.000 2.568 1065 S HA 0.721 5.189 4.470 -0.003 0.000 0.302 1065 S C -0.743 173.893 174.600 0.060 0.000 1.082 1065 S CA -0.676 57.699 58.200 0.292 0.000 1.009 1065 S CB 2.193 65.583 63.200 0.317 0.000 1.069 1065 S HN 0.521 nan 8.310 nan 0.000 0.500 1066 L N 2.811 123.815 121.223 -0.365 0.000 2.259 1066 L HA 0.493 4.831 4.340 -0.003 0.000 0.288 1066 L C 0.465 177.115 176.870 -0.365 0.000 1.051 1066 L CA -0.123 54.293 54.840 -0.706 0.000 0.824 1066 L CB -0.424 40.894 42.059 -1.237 0.000 1.206 1066 L HN 0.820 nan 8.230 nan 0.000 0.429 1067 I N 1.746 122.036 120.570 -0.467 0.000 2.202 1067 I HA -0.120 4.048 4.170 -0.003 0.000 0.242 1067 I C 0.856 176.832 176.117 -0.235 0.000 1.091 1067 I CA 1.098 62.018 61.300 -0.634 0.000 1.368 1067 I CB -0.306 37.228 38.000 -0.777 0.000 1.058 1067 I HN 0.719 nan 8.210 nan 0.000 0.410 1068 T N 0.211 114.661 114.554 -0.174 0.000 2.992 1068 T HA 0.311 4.659 4.350 -0.003 0.000 0.299 1068 T C -0.142 174.520 174.700 -0.064 0.000 1.027 1068 T CA -0.510 61.553 62.100 -0.062 0.000 1.001 1068 T CB -0.076 68.787 68.868 -0.009 0.000 1.005 1068 T HN 0.139 nan 8.240 nan 0.000 0.599 1069 E N 1.727 121.906 120.200 -0.035 0.000 2.319 1069 E HA 0.356 4.705 4.350 -0.003 0.000 0.268 1069 E C -0.171 176.430 176.600 0.000 0.000 1.050 1069 E CA -0.946 55.437 56.400 -0.028 0.000 0.878 1069 E CB 1.327 31.023 29.700 -0.006 0.000 1.066 1069 E HN 0.391 nan 8.360 nan 0.000 0.406 1070 V N 2.843 122.759 119.914 0.003 0.000 2.458 1070 V HA 0.168 4.286 4.120 -0.003 0.000 0.287 1070 V C 1.243 177.348 176.094 0.018 0.000 1.009 1070 V CA 1.833 64.143 62.300 0.016 0.000 1.091 1070 V CB -0.030 31.804 31.823 0.018 0.000 0.960 1070 V HN 1.075 nan 8.190 nan 0.000 0.476 1071 G N 3.788 112.601 108.800 0.022 0.000 2.491 1071 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.203 1071 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.203 1071 G C 0.292 175.207 174.900 0.026 0.000 1.052 1071 G CA -0.250 44.863 45.100 0.022 0.000 0.675 1071 G HN 0.580 nan 8.290 nan 0.000 0.504 1072 Q N 1.856 121.674 119.800 0.030 0.000 2.256 1072 Q HA 0.373 4.712 4.340 -0.003 0.000 0.281 1072 Q C 1.369 177.391 176.000 0.037 0.000 1.162 1072 Q CA 1.104 56.930 55.803 0.038 0.000 0.943 1072 Q CB 0.283 29.050 28.738 0.048 0.000 1.195 1072 Q HN 1.575 nan 8.270 nan 0.000 0.403 1073 G N 3.801 112.622 108.800 0.034 0.000 2.561 1073 G HA2 -0.376 3.582 3.960 -0.003 0.000 0.289 1073 G HA3 -0.376 3.582 3.960 -0.003 0.000 0.289 1073 G C 0.367 175.282 174.900 0.025 0.000 1.169 1073 G CA 0.273 45.391 45.100 0.030 0.000 0.980 1073 G HN 0.695 nan 8.290 nan 0.000 0.550 1074 D N 0.669 121.084 120.400 0.024 0.000 2.340 1074 D HA 0.130 4.768 4.640 -0.003 0.000 0.220 1074 D C 1.225 177.539 176.300 0.023 0.000 1.039 1074 D CA -0.168 53.843 54.000 0.019 0.000 0.866 1074 D CB -0.159 40.651 40.800 0.015 0.000 0.913 1074 D HN 0.317 nan 8.370 nan 0.000 0.523 1075 I N 2.141 122.729 120.570 0.029 0.000 2.505 1075 I HA 0.050 4.218 4.170 -0.003 0.000 0.287 1075 I C 0.989 177.125 176.117 0.031 0.000 1.104 1075 I CA 0.016 61.337 61.300 0.035 0.000 1.387 1075 I CB 0.238 38.261 38.000 0.038 0.000 1.404 1075 I HN -0.189 nan 8.210 nan 0.000 0.528 1076 K N 4.676 125.096 120.400 0.033 0.000 2.148 1076 K HA 0.213 4.531 4.320 -0.003 0.000 0.239 1076 K C 1.039 177.662 176.600 0.039 0.000 1.018 1076 K CA -0.695 55.611 56.287 0.030 0.000 0.923 1076 K CB 1.438 33.953 32.500 0.025 0.000 1.117 1076 K HN 0.462 nan 8.250 nan 0.000 0.477 1077 E N 1.174 121.394 120.200 0.035 0.000 2.047 1077 E HA -0.120 4.229 4.350 -0.003 0.000 0.191 1077 E C -0.388 176.244 176.600 0.054 0.000 0.987 1077 E CA 1.289 57.712 56.400 0.039 0.000 0.799 1077 E CB 0.329 30.047 29.700 0.031 0.000 0.752 1077 E HN 0.243 nan 8.360 nan 0.000 0.449 1078 K N 1.234 121.664 120.400 0.051 0.000 2.211 1078 K HA 0.210 4.529 4.320 -0.003 0.000 0.275 1078 K C -0.848 175.791 176.600 0.066 0.000 1.024 1078 K CA -0.393 55.933 56.287 0.065 0.000 0.887 1078 K CB 1.444 33.972 32.500 0.048 0.000 1.084 1078 K HN 0.016 nan 8.250 nan 0.000 0.463 1079 D N 1.720 122.181 120.400 0.102 0.000 2.692 1079 D HA 0.273 4.912 4.640 -0.003 0.000 0.303 1079 D C -0.551 175.776 176.300 0.046 0.000 1.278 1079 D CA -0.546 53.495 54.000 0.070 0.000 0.852 1079 D CB 1.429 42.277 40.800 0.081 0.000 1.375 1079 D HN 0.285 nan 8.370 nan 0.000 0.453 1080 L N 0.935 122.094 121.223 -0.107 0.000 3.066 1080 L HA 0.382 4.720 4.340 -0.003 0.000 0.265 1080 L C 0.077 176.726 176.870 -0.370 0.000 1.232 1080 L CA -0.171 54.385 54.840 -0.475 0.000 1.031 1080 L CB 1.292 43.124 42.059 -0.378 0.000 1.379 1080 L HN -0.013 nan 8.230 nan 0.000 0.563 1081 V N 0.677 120.601 119.914 0.017 0.000 2.841 1081 V HA 0.636 4.754 4.120 -0.003 0.000 0.310 1081 V C -1.452 174.837 176.094 0.325 0.000 1.090 1081 V CA -0.501 61.902 62.300 0.172 0.000 0.930 1081 V CB 3.258 35.134 31.823 0.089 0.000 1.014 1081 V HN 0.121 nan 8.190 nan 0.000 0.425 1082 I N 4.544 125.322 120.570 0.347 0.000 2.908 1082 I HA 0.868 5.036 4.170 -0.003 0.000 0.300 1082 I C -1.057 175.142 176.117 0.137 0.000 1.385 1082 I CA -0.270 61.173 61.300 0.238 0.000 1.004 1082 I CB 2.209 40.354 38.000 0.243 0.000 1.309 1082 I HN 0.969 nan 8.210 nan 0.000 0.449 1083 A N 4.843 127.670 122.820 0.011 0.000 2.572 1083 A HA 0.866 5.185 4.320 -0.003 0.000 0.295 1083 A C -2.086 175.356 177.584 -0.237 0.000 1.072 1083 A CA -0.385 51.480 52.037 -0.286 0.000 0.691 1083 A CB 1.568 20.251 19.000 -0.528 0.000 1.291 1083 A HN 0.788 nan 8.150 nan 0.000 0.404 1084 Y N -1.218 118.898 120.300 -0.306 0.000 2.544 1084 Y HA 0.750 5.298 4.550 -0.003 0.000 0.342 1084 Y C -0.542 175.262 175.900 -0.159 0.000 1.062 1084 Y CA -0.903 57.094 58.100 -0.172 0.000 1.023 1084 Y CB 1.225 39.762 38.460 0.130 0.000 1.308 1084 Y HN 0.649 nan 8.280 nan 0.000 0.457 1085 Q N 1.595 121.432 119.800 0.062 0.000 2.235 1085 Q HA 0.745 5.084 4.340 -0.003 0.000 0.256 1085 Q C -1.041 175.088 176.000 0.215 0.000 0.951 1085 Q CA -0.711 55.155 55.803 0.105 0.000 0.890 1085 Q CB 2.317 31.161 28.738 0.176 0.000 1.279 1085 Q HN 0.956 nan 8.270 nan 0.000 0.444 1086 T N 1.187 115.842 114.554 0.169 0.000 2.887 1086 T HA 0.690 5.039 4.350 -0.003 0.000 0.292 1086 T C -0.444 174.309 174.700 0.088 0.000 1.087 1086 T CA -0.665 61.489 62.100 0.091 0.000 1.009 1086 T CB 1.092 69.917 68.868 -0.072 0.000 1.203 1086 T HN 0.442 nan 8.240 nan 0.000 0.518 1087 I N 2.030 122.626 120.570 0.044 0.000 2.534 1087 I HA 0.337 4.506 4.170 -0.003 0.000 0.288 1087 I C -0.813 175.316 176.117 0.020 0.000 1.077 1087 I CA -1.059 60.278 61.300 0.061 0.000 1.051 1087 I CB 2.112 40.143 38.000 0.052 0.000 1.234 1087 I HN 0.745 nan 8.210 nan 0.000 0.425 1088 D N 4.301 124.734 120.400 0.055 0.000 2.451 1088 D HA 0.428 5.066 4.640 -0.003 0.000 0.259 1088 D C 0.090 176.407 176.300 0.027 0.000 1.201 1088 D CA -0.377 53.635 54.000 0.020 0.000 1.028 1088 D CB 0.949 41.771 40.800 0.038 0.000 1.095 1088 D HN 0.487 nan 8.370 nan 0.000 0.539 1092 D N 1.462 121.877 120.400 0.026 0.000 2.371 1092 D HA 0.291 4.929 4.640 -0.003 0.000 0.256 1092 D C 0.799 177.061 176.300 -0.063 0.000 1.193 1092 D CA 0.352 54.322 54.000 -0.051 0.000 0.881 1092 D CB 1.494 42.271 40.800 -0.039 0.000 1.143 1092 D HN 0.265 nan 8.370 nan 0.000 0.473 1093 I N 2.384 122.876 120.570 -0.129 0.000 2.472 1093 I HA 0.194 4.362 4.170 -0.003 0.000 0.290 1093 I C -0.293 175.689 176.117 -0.224 0.000 1.016 1093 I CA -0.510 60.770 61.300 -0.034 0.000 1.348 1093 I CB 0.500 38.551 38.000 0.085 0.000 1.417 1093 I HN 0.210 nan 8.210 nan 0.000 0.521 1094 Y N 3.706 124.024 120.300 0.029 0.000 2.425 1094 Y HA 0.679 5.228 4.550 -0.003 0.000 0.344 1094 Y C -0.009 175.923 175.900 0.053 0.000 0.969 1094 Y CA -0.924 57.211 58.100 0.059 0.000 1.052 1094 Y CB 2.105 40.589 38.460 0.040 0.000 1.215 1094 Y HN 0.553 nan 8.280 nan 0.000 0.451 1095 A N 2.597 125.526 122.820 0.183 0.000 2.335 1095 A HA 0.761 5.080 4.320 -0.003 0.000 0.304 1095 A C -1.580 175.916 177.584 -0.147 0.000 1.118 1095 A CA -0.674 51.321 52.037 -0.070 0.000 0.757 1095 A CB 0.681 19.639 19.000 -0.069 0.000 1.188 1095 A HN 0.496 nan 8.150 nan 0.000 0.460 1096 V N 2.798 122.425 119.914 -0.478 0.000 2.398 1096 V HA 0.520 4.638 4.120 -0.003 0.000 0.286 1096 V C -0.887 174.779 176.094 -0.715 0.000 1.026 1096 V CA -0.165 61.859 62.300 -0.461 0.000 0.868 1096 V CB 0.651 32.120 31.823 -0.591 0.000 0.982 1096 V HN 0.698 nan 8.190 nan 0.000 0.443 1097 F N 3.425 123.278 119.950 -0.162 0.000 2.482 1097 F HA 0.705 5.230 4.527 -0.003 0.000 0.331 1097 F C -0.122 175.670 175.800 -0.013 0.000 1.115 1097 F CA -0.971 56.975 58.000 -0.090 0.000 0.955 1097 F CB 2.118 41.088 39.000 -0.050 0.000 1.136 1097 F HN 0.175 nan 8.300 nan 0.000 0.452 1098 V N 2.520 122.554 119.914 0.199 0.000 2.419 1098 V HA 0.289 4.407 4.120 -0.003 0.000 0.287 1098 V C -0.740 175.483 176.094 0.215 0.000 1.017 1098 V CA -0.847 61.586 62.300 0.222 0.000 0.844 1098 V CB 1.388 33.383 31.823 0.286 0.000 1.011 1098 V HN 0.676 nan 8.190 nan 0.000 0.429 1099 N N 3.673 122.453 118.700 0.133 0.000 2.558 1099 N HA 0.410 5.148 4.740 -0.003 0.000 0.233 1099 N C 0.699 176.209 175.510 -0.001 0.000 1.038 1099 N CA 0.005 53.090 53.050 0.059 0.000 0.934 1099 N CB 1.747 40.253 38.487 0.032 0.000 1.175 1099 N HN 0.763 nan 8.380 nan 0.000 0.512 1100 A N 2.381 125.145 122.820 -0.094 0.000 2.278 1100 A HA 0.056 4.375 4.320 -0.003 0.000 0.212 1100 A C 0.716 178.183 177.584 -0.195 0.000 1.213 1100 A CA -0.163 51.761 52.037 -0.189 0.000 0.840 1100 A CB -0.152 18.584 19.000 -0.440 0.000 0.866 1100 A HN 0.585 nan 8.150 nan 0.000 0.489 1101 D N -0.042 120.272 120.400 -0.145 0.000 2.344 1101 D HA 0.187 4.826 4.640 -0.003 0.000 0.244 1101 D C 1.377 177.631 176.300 -0.076 0.000 1.134 1101 D CA 0.687 54.619 54.000 -0.113 0.000 0.930 1101 D CB 1.254 42.006 40.800 -0.080 0.000 1.175 1101 D HN 0.182 nan 8.370 nan 0.000 0.437 1102 S N 0.850 116.510 115.700 -0.066 0.000 2.593 1102 S HA 0.033 4.501 4.470 -0.003 0.000 0.217 1102 S C 0.575 175.154 174.600 -0.036 0.000 0.966 1102 S CA 0.051 58.222 58.200 -0.049 0.000 0.914 1102 S CB -0.206 62.966 63.200 -0.047 0.000 0.776 1102 S HN 0.502 nan 8.310 nan 0.000 0.523 1103 K N 0.003 120.382 120.400 -0.035 0.000 2.395 1103 K HA 0.842 5.160 4.320 -0.003 0.000 0.245 1103 K C -0.525 176.061 176.600 -0.023 0.000 1.017 1103 K CA -1.046 55.225 56.287 -0.026 0.000 0.852 1103 K CB 1.426 33.911 32.500 -0.024 0.000 1.311 1103 K HN -0.008 nan 8.250 nan 0.000 0.452 1104 A N 1.280 124.090 122.820 -0.017 0.000 2.366 1104 A HA 0.427 4.746 4.320 -0.003 0.000 0.249 1104 A C -0.476 177.100 177.584 -0.013 0.000 1.084 1104 A CA -0.413 51.616 52.037 -0.014 0.000 0.794 1104 A CB 0.166 19.161 19.000 -0.008 0.000 1.034 1104 A HN 0.600 nan 8.150 nan 0.000 0.491 1105 R N 1.287 121.780 120.500 -0.012 0.000 2.604 1105 R HA 0.278 4.616 4.340 -0.003 0.000 0.281 1105 R C -1.449 174.847 176.300 -0.008 0.000 1.020 1105 R CA -0.787 55.310 56.100 -0.005 0.000 0.899 1105 R CB 1.525 31.828 30.300 0.004 0.000 1.205 1105 R HN 0.805 nan 8.270 nan 0.000 0.450 1106 N N 1.907 120.605 118.700 -0.002 0.000 2.408 1106 N HA 0.160 4.898 4.740 -0.003 0.000 0.257 1106 N C -0.849 174.673 175.510 0.019 0.000 1.064 1106 N CA -0.080 52.968 53.050 -0.002 0.000 0.952 1106 N CB 1.157 39.645 38.487 0.001 0.000 1.093 1106 N HN 0.214 nan 8.380 nan 0.000 0.490 1107 V N 4.614 124.541 119.914 0.021 0.000 2.364 1107 V HA 0.211 4.329 4.120 -0.003 0.000 0.272 1107 V C 0.372 176.512 176.094 0.076 0.000 1.036 1107 V CA -0.854 61.489 62.300 0.072 0.000 0.880 1107 V CB 1.141 33.054 31.823 0.150 0.000 0.991 1107 V HN 0.444 nan 8.190 nan 0.000 0.460 1108 L N 6.011 127.281 121.223 0.080 0.000 2.325 1108 L HA 0.286 4.625 4.340 -0.003 0.000 0.284 1108 L C 0.911 177.857 176.870 0.125 0.000 1.089 1108 L CA 0.619 55.510 54.840 0.086 0.000 0.836 1108 L CB 0.540 42.642 42.059 0.071 0.000 1.184 1108 L HN 0.565 nan 8.230 nan 0.000 0.444 1109 L N 4.281 125.591 121.223 0.145 0.000 2.044 1109 L HA 0.173 4.511 4.340 -0.003 0.000 0.205 1109 L C 1.478 178.483 176.870 0.226 0.000 1.075 1109 L CA 0.817 55.783 54.840 0.210 0.000 0.747 1109 L CB -0.893 41.282 42.059 0.193 0.000 0.903 1109 L HN 0.934 nan 8.230 nan 0.000 0.435 1110 G N -0.075 108.814 108.800 0.147 0.000 2.698 1110 G HA2 -0.268 3.691 3.960 -0.003 0.000 0.233 1110 G HA3 -0.268 3.691 3.960 -0.003 0.000 0.233 1110 G C 0.515 175.476 174.900 0.101 0.000 1.352 1110 G CA 0.105 45.273 45.100 0.115 0.000 0.879 1110 G HN 0.203 nan 8.290 nan 0.000 0.567 1111 E N 0.029 120.267 120.200 0.064 0.000 2.058 1111 E HA -0.156 4.193 4.350 -0.003 0.000 0.194 1111 E C 2.447 179.057 176.600 0.017 0.000 0.997 1111 E CA 1.643 58.064 56.400 0.036 0.000 0.801 1111 E CB -0.230 29.477 29.700 0.013 0.000 0.746 1111 E HN 0.568 nan 8.360 nan 0.000 0.450 1112 K N -0.356 120.017 120.400 -0.044 0.000 2.097 1112 K HA -0.139 4.179 4.320 -0.003 0.000 0.205 1112 K C 1.103 177.551 176.600 -0.253 0.000 1.050 1112 K CA 1.157 57.299 56.287 -0.242 0.000 0.938 1112 K CB 0.056 32.277 32.500 -0.465 0.000 0.718 1112 K HN 0.104 nan 8.250 nan 0.000 0.442 1113 Y N 0.197 120.595 120.300 0.164 0.000 2.557 1113 Y HA 0.140 4.688 4.550 -0.003 0.000 0.247 1113 Y C 1.285 177.168 175.900 -0.027 0.000 1.164 1113 Y CA -0.358 57.804 58.100 0.104 0.000 1.218 1113 Y CB 0.499 38.992 38.460 0.055 0.000 1.210 1113 Y HN 0.028 nan 8.280 nan 0.000 0.529 1114 K N 0.286 120.786 120.400 0.167 0.000 2.280 1114 K HA -0.252 4.067 4.320 -0.003 0.000 0.202 1114 K C 1.321 177.955 176.600 0.057 0.000 1.047 1114 K CA 2.152 58.500 56.287 0.102 0.000 0.942 1114 K CB -0.803 31.754 32.500 0.096 0.000 0.739 1114 K HN 0.589 nan 8.250 nan 0.000 0.457 1115 H N 0.559 119.672 119.070 0.071 0.000 2.489 1115 H HA -0.006 4.548 4.556 -0.003 0.000 0.295 1115 H C 1.798 177.160 175.328 0.056 0.000 1.082 1115 H CA 1.135 57.210 56.048 0.045 0.000 1.295 1115 H CB -0.417 29.361 29.762 0.026 0.000 1.380 1115 H HN 0.108 nan 8.280 nan 0.000 0.548 1116 L N 0.333 121.264 121.223 -0.486 0.000 2.127 1116 L HA -0.173 4.165 4.340 -0.003 0.000 0.211 1116 L C 2.300 179.116 176.870 -0.091 0.000 1.089 1116 L CA 1.032 55.734 54.840 -0.231 0.000 0.757 1116 L CB -0.389 41.624 42.059 -0.076 0.000 0.899 1116 L HN 0.368 nan 8.230 nan 0.000 0.434 1117 L N -0.474 120.703 121.223 -0.076 0.000 2.187 1117 L HA -0.205 4.134 4.340 -0.003 0.000 0.213 1117 L C 2.417 179.182 176.870 -0.176 0.000 1.100 1117 L CA 0.883 55.637 54.840 -0.142 0.000 0.765 1117 L CB -0.543 41.475 42.059 -0.068 0.000 0.904 1117 L HN 0.222 nan 8.230 nan 0.000 0.437 1118 K N 0.496 120.843 120.400 -0.087 0.000 2.365 1118 K HA 0.073 4.391 4.320 -0.003 0.000 0.199 1118 K C 1.166 177.718 176.600 -0.080 0.000 1.045 1118 K CA 0.521 56.767 56.287 -0.068 0.000 0.962 1118 K CB -0.458 32.036 32.500 -0.009 0.000 0.759 1118 K HN 0.306 nan 8.250 nan 0.000 0.469 1119 G N 0.655 109.403 108.800 -0.088 0.000 2.508 1119 G HA2 0.241 4.200 3.960 -0.003 0.000 0.278 1119 G HA3 0.241 4.200 3.960 -0.003 0.000 0.278 1119 G C -0.596 174.233 174.900 -0.118 0.000 1.389 1119 G CA -0.372 44.679 45.100 -0.082 0.000 1.050 1119 G HN 0.124 nan 8.290 nan 0.000 0.522 1120 Q N -1.724 118.032 119.800 -0.074 0.000 2.423 1120 Q HA 0.484 4.822 4.340 -0.003 0.000 0.278 1120 Q C -1.148 174.859 176.000 0.012 0.000 1.097 1120 Q CA -0.860 54.909 55.803 -0.056 0.000 0.809 1120 Q CB 2.984 31.703 28.738 -0.032 0.000 1.391 1120 Q HN 0.284 nan 8.270 nan 0.000 0.428 1121 V N 3.403 123.346 119.914 0.048 0.000 2.461 1121 V HA 0.155 4.273 4.120 -0.003 0.000 0.275 1121 V C 0.814 176.968 176.094 0.099 0.000 1.047 1121 V CA 0.260 62.629 62.300 0.114 0.000 0.955 1121 V CB 0.596 32.516 31.823 0.162 0.000 0.988 1121 V HN 0.781 nan 8.190 nan 0.000 0.471 1122 I N 2.531 123.172 120.570 0.118 0.000 4.288 1122 I HA 0.422 4.591 4.170 -0.003 0.000 0.331 1122 I C -0.081 176.086 176.117 0.084 0.000 1.322 1122 I CA 0.170 61.533 61.300 0.106 0.000 1.149 1122 I CB 0.956 39.038 38.000 0.137 0.000 1.112 1122 I HN 0.322 nan 8.210 nan 0.000 0.403 1123 V N 3.313 123.285 119.914 0.097 0.000 2.709 1123 V HA 0.510 4.628 4.120 -0.003 0.000 0.308 1123 V C -1.190 174.982 176.094 0.130 0.000 1.062 1123 V CA -0.418 61.925 62.300 0.072 0.000 0.901 1123 V CB 1.911 33.749 31.823 0.025 0.000 1.003 1123 V HN 0.479 nan 8.190 nan 0.000 0.425 1124 D N 3.438 123.945 120.400 0.178 0.000 2.867 1124 D HA 0.585 5.223 4.640 -0.003 0.000 0.308 1124 D C 0.941 177.374 176.300 0.222 0.000 1.202 1124 D CA 0.055 54.148 54.000 0.156 0.000 1.035 1124 D CB 1.351 42.207 40.800 0.093 0.000 1.427 1124 D HN 0.496 nan 8.370 nan 0.000 0.570 1125 A N -0.386 122.493 122.820 0.099 0.000 1.940 1125 A HA -0.148 4.170 4.320 -0.003 0.000 0.219 1125 A C 1.399 178.984 177.584 0.002 0.000 1.176 1125 A CA 2.056 54.111 52.037 0.030 0.000 0.631 1125 A CB -0.710 18.282 19.000 -0.014 0.000 0.814 1125 A HN 0.527 nan 8.150 nan 0.000 0.446 1126 D N -1.192 119.259 120.400 0.085 0.000 2.277 1126 D HA 0.068 4.706 4.640 -0.003 0.000 0.209 1126 D C 0.982 177.423 176.300 0.235 0.000 0.970 1126 D CA 0.997 55.048 54.000 0.086 0.000 0.874 1126 D CB 0.132 40.973 40.800 0.069 0.000 0.982 1126 D HN 0.830 nan 8.370 nan 0.000 0.504 1127 Q N -0.483 119.533 119.800 0.360 0.000 2.418 1127 Q HA 0.709 5.048 4.340 -0.003 0.000 0.282 1127 Q C -1.762 174.334 176.000 0.160 0.000 1.044 1127 Q CA -1.175 54.828 55.803 0.332 0.000 0.813 1127 Q CB 2.583 31.420 28.738 0.165 0.000 1.428 1127 Q HN -0.097 nan 8.270 nan 0.000 0.402 1128 A N 0.441 123.207 122.820 -0.090 0.000 2.401 1128 A HA 1.033 5.351 4.320 -0.003 0.000 0.310 1128 A C -0.282 177.236 177.584 -0.110 0.000 1.075 1128 A CA -0.028 51.843 52.037 -0.278 0.000 0.746 1128 A CB 1.893 20.447 19.000 -0.743 0.000 1.277 1128 A HN 1.244 nan 8.150 nan 0.000 0.425 1129 G N -0.649 108.114 108.800 -0.062 0.000 2.335 1129 G HA2 0.435 4.393 3.960 -0.003 0.000 0.291 1129 G HA3 0.435 4.393 3.960 -0.003 0.000 0.291 1129 G C 0.107 175.031 174.900 0.039 0.000 1.261 1129 G CA 0.075 45.170 45.100 -0.008 0.000 0.871 1129 G HN 1.501 nan 8.290 nan 0.000 0.491 1130 I N -2.403 118.203 120.570 0.059 0.000 4.181 1130 I HA 0.531 4.699 4.170 -0.003 0.000 0.331 1130 I C 0.385 176.555 176.117 0.089 0.000 1.312 1130 I CA -0.085 61.275 61.300 0.099 0.000 1.146 1130 I CB 0.310 38.371 38.000 0.101 0.000 1.074 1130 I HN 0.006 nan 8.210 nan 0.000 0.402 1131 K N 3.215 123.654 120.400 0.064 0.000 2.270 1131 K HA 0.382 4.700 4.320 -0.003 0.000 0.276 1131 K C -2.448 174.186 176.600 0.056 0.000 1.023 1131 K CA -1.668 54.652 56.287 0.055 0.000 0.955 1131 K CB 0.057 32.584 32.500 0.045 0.000 0.975 1131 K HN 0.025 nan 8.250 nan 0.000 0.471 1132 P HA 0.150 nan 4.420 nan 0.000 0.276 1132 P C -0.574 176.752 177.300 0.043 0.000 1.230 1132 P CA -0.063 63.063 63.100 0.043 0.000 0.776 1132 P CB 0.468 32.184 31.700 0.027 0.000 0.888 1133 I N 2.080 122.680 120.570 0.051 0.000 2.301 1133 I HA 0.041 4.209 4.170 -0.003 0.000 0.292 1133 I C 1.463 177.607 176.117 0.046 0.000 1.046 1133 I CA -0.040 61.291 61.300 0.052 0.000 1.282 1133 I CB 0.970 39.009 38.000 0.066 0.000 1.409 1133 I HN 0.382 nan 8.210 nan 0.000 0.484 1134 S N 2.418 118.141 115.700 0.037 0.000 2.428 1134 S HA -0.104 4.364 4.470 -0.003 0.000 0.230 1134 S C 1.153 175.776 174.600 0.038 0.000 1.014 1134 S CA 0.552 58.770 58.200 0.031 0.000 0.957 1134 S CB -0.069 63.146 63.200 0.025 0.000 0.784 1134 S HN 0.690 nan 8.310 nan 0.000 0.499 1135 T N 3.593 118.173 114.554 0.043 0.000 3.504 1135 T HA 0.460 4.808 4.350 -0.003 0.000 0.286 1135 T C -3.033 171.693 174.700 0.043 0.000 1.530 1135 T CA -1.987 60.139 62.100 0.045 0.000 1.652 1135 T CB 0.061 68.951 68.868 0.037 0.000 0.895 1135 T HN 0.088 nan 8.240 nan 0.000 0.674 1136 P HA 0.301 nan 4.420 nan 0.000 0.269 1136 P C -0.236 177.052 177.300 -0.019 0.000 1.209 1136 P CA -0.363 62.763 63.100 0.042 0.000 0.776 1136 P CB 0.538 32.293 31.700 0.092 0.000 0.876 1137 R N 1.195 121.677 120.500 -0.029 0.000 2.664 1137 R HA 0.538 4.876 4.340 -0.003 0.000 0.286 1137 R C 1.011 177.243 176.300 -0.114 0.000 0.967 1137 R CA -0.163 55.896 56.100 -0.068 0.000 0.933 1137 R CB 1.250 31.538 30.300 -0.020 0.000 1.146 1137 R HN 0.812 nan 8.270 nan 0.000 0.468 1138 G N -0.012 108.687 108.800 -0.169 0.000 2.148 1138 G HA2 -0.249 3.710 3.960 -0.003 0.000 0.254 1138 G HA3 -0.249 3.710 3.960 -0.003 0.000 0.254 1138 G C -0.320 174.425 174.900 -0.258 0.000 0.981 1138 G CA 0.399 45.404 45.100 -0.158 0.000 0.670 1138 G HN 0.512 nan 8.290 nan 0.000 0.528 1139 V N 0.911 120.546 119.914 -0.464 0.000 2.971 1139 V HA 0.808 4.927 4.120 -0.003 0.000 0.309 1139 V C -1.192 174.347 176.094 -0.925 0.000 1.130 1139 V CA -1.010 60.934 62.300 -0.593 0.000 0.964 1139 V CB 2.133 33.609 31.823 -0.579 0.000 1.029 1139 V HN 0.367 nan 8.190 nan 0.000 0.427 1140 H N 5.093 123.862 119.070 -0.502 0.000 2.771 1140 H HA 0.487 5.041 4.556 -0.003 0.000 0.361 1140 H C -1.512 173.510 175.328 -0.509 0.000 1.108 1140 H CA -0.241 55.565 56.048 -0.403 0.000 1.201 1140 H CB 1.786 31.441 29.762 -0.178 0.000 1.681 1140 H HN 0.538 nan 8.280 nan 0.000 0.534 1141 F N 1.488 121.464 119.950 0.044 0.000 2.422 1141 F HA 0.321 4.847 4.527 -0.003 0.000 0.333 1141 F C 0.898 176.705 175.800 0.013 0.000 1.095 1141 F CA -0.482 57.515 58.000 -0.006 0.000 1.038 1141 F CB 1.364 40.348 39.000 -0.026 0.000 1.156 1141 F HN 0.374 nan 8.300 nan 0.000 0.483 1142 E N 0.484 120.793 120.200 0.182 0.000 2.449 1142 E HA 0.239 4.587 4.350 -0.003 0.000 0.254 1142 E C 0.670 177.328 176.600 0.096 0.000 0.907 1142 E CA -0.802 55.661 56.400 0.106 0.000 0.840 1142 E CB 0.954 30.689 29.700 0.060 0.000 1.459 1142 E HN 0.266 nan 8.360 nan 0.000 0.407 1143 K N 1.126 121.565 120.400 0.064 0.000 2.103 1143 K HA -0.162 4.156 4.320 -0.003 0.000 0.207 1143 K C 0.569 177.204 176.600 0.059 0.000 1.048 1143 K CA 2.315 58.633 56.287 0.053 0.000 0.930 1143 K CB -0.028 32.496 32.500 0.039 0.000 0.716 1143 K HN 0.508 nan 8.250 nan 0.000 0.444 1144 D N -1.400 119.039 120.400 0.065 0.000 2.822 1144 D HA 0.118 4.756 4.640 -0.003 0.000 0.327 1144 D C -0.859 175.489 176.300 0.081 0.000 1.577 1144 D CA -0.140 53.904 54.000 0.074 0.000 0.785 1144 D CB -0.482 40.357 40.800 0.065 0.000 1.199 1144 D HN 0.116 nan 8.370 nan 0.000 0.443 1145 S N -0.762 114.986 115.700 0.080 0.000 2.587 1145 S HA 0.680 5.149 4.470 -0.003 0.000 0.269 1145 S C -1.821 172.793 174.600 0.023 0.000 1.154 1145 S CA -0.918 57.316 58.200 0.057 0.000 0.824 1145 S CB 1.421 64.644 63.200 0.039 0.000 1.118 1145 S HN 0.005 nan 8.310 nan 0.000 0.462 1146 L N 1.560 122.746 121.223 -0.061 0.000 2.362 1146 L HA 0.644 4.982 4.340 -0.003 0.000 0.275 1146 L C -0.858 175.913 176.870 -0.166 0.000 0.998 1146 L CA -0.525 54.187 54.840 -0.214 0.000 0.820 1146 L CB 1.515 43.314 42.059 -0.433 0.000 1.270 1146 L HN 0.773 nan 8.230 nan 0.000 0.415 1147 L N 5.133 126.263 121.223 -0.155 0.000 2.259 1147 L HA 0.532 4.871 4.340 -0.003 0.000 0.288 1147 L C -0.537 176.267 176.870 -0.110 0.000 1.051 1147 L CA 0.289 55.083 54.840 -0.077 0.000 0.824 1147 L CB -0.003 42.053 42.059 -0.005 0.000 1.206 1147 L HN 0.411 nan 8.230 nan 0.000 0.429 1148 I N 3.838 124.344 120.570 -0.106 0.000 2.353 1148 I HA 0.240 4.408 4.170 -0.003 0.000 0.293 1148 I C 0.181 176.269 176.117 -0.049 0.000 0.992 1148 I CA -0.832 60.402 61.300 -0.110 0.000 1.268 1148 I CB 1.019 38.968 38.000 -0.086 0.000 1.387 1148 I HN 0.493 nan 8.210 nan 0.000 0.478 1149 D N 7.458 127.828 120.400 -0.050 0.000 2.378 1149 D HA 0.127 4.766 4.640 -0.003 0.000 0.238 1149 D C -2.296 173.992 176.300 -0.020 0.000 1.180 1149 D CA -0.727 53.259 54.000 -0.023 0.000 0.895 1149 D CB 0.279 41.063 40.800 -0.027 0.000 1.192 1149 D HN 0.221 nan 8.370 nan 0.000 0.438 1150 P HA 0.131 nan 4.420 nan 0.000 0.271 1150 P C -0.046 177.241 177.300 -0.022 0.000 1.218 1150 P CA -0.222 62.865 63.100 -0.022 0.000 0.780 1150 P CB 0.358 32.043 31.700 -0.024 0.000 0.901 1151 L N -0.775 120.433 121.223 -0.024 0.000 3.677 1151 L HA -0.195 4.143 4.340 -0.003 0.000 0.464 1151 L C -0.578 176.289 176.870 -0.006 0.000 1.278 1151 L CA 0.635 55.464 54.840 -0.019 0.000 0.806 1151 L CB -2.526 39.519 42.059 -0.025 0.000 1.610 1151 L HN 0.501 nan 8.230 nan 0.000 0.867 1152 T N -0.886 113.676 114.554 0.012 0.000 2.933 1152 T HA 0.778 5.126 4.350 -0.003 0.000 0.305 1152 T C -0.103 174.640 174.700 0.072 0.000 1.092 1152 T CA -0.057 62.057 62.100 0.023 0.000 1.008 1152 T CB 2.311 71.178 68.868 -0.003 0.000 1.102 1152 T HN 0.385 nan 8.240 nan 0.000 0.469 1153 A N 2.825 125.715 122.820 0.117 0.000 2.342 1153 A HA 0.851 5.170 4.320 -0.003 0.000 0.323 1153 A C -0.948 176.736 177.584 0.167 0.000 1.125 1153 A CA -0.708 51.431 52.037 0.169 0.000 0.785 1153 A CB 0.559 19.693 19.000 0.223 0.000 1.221 1153 A HN 0.670 nan 8.150 nan 0.000 0.463 1154 I N 2.325 123.001 120.570 0.177 0.000 2.545 1154 I HA 0.499 4.667 4.170 -0.003 0.000 0.292 1154 I C -0.669 175.617 176.117 0.282 0.000 1.040 1154 I CA -0.740 60.661 61.300 0.170 0.000 1.068 1154 I CB 1.508 39.524 38.000 0.026 0.000 1.251 1154 I HN 0.305 nan 8.210 nan 0.000 0.424 1155 V N 6.627 126.681 119.914 0.233 0.000 2.588 1155 V HA 0.548 4.666 4.120 -0.003 0.000 0.304 1155 V C -0.079 176.175 176.094 0.266 0.000 1.042 1155 V CA -0.537 61.922 62.300 0.265 0.000 0.877 1155 V CB 2.548 34.491 31.823 0.200 0.000 0.996 1155 V HN 0.455 nan 8.190 nan 0.000 0.425 1156 I N 3.896 124.650 120.570 0.306 0.000 2.441 1156 I HA 0.540 4.709 4.170 -0.003 0.000 0.295 1156 I C -0.174 176.016 176.117 0.122 0.000 0.994 1156 I CA -0.668 60.758 61.300 0.210 0.000 1.144 1156 I CB 1.899 40.034 38.000 0.225 0.000 1.314 1156 I HN 0.513 nan 8.210 nan 0.000 0.445 1157 K N 5.466 125.871 120.400 0.008 0.000 2.274 1157 K HA 0.609 4.927 4.320 -0.003 0.000 0.262 1157 K C -1.527 174.964 176.600 -0.181 0.000 0.961 1157 K CA -0.491 55.657 56.287 -0.232 0.000 0.833 1157 K CB 1.809 34.185 32.500 -0.205 0.000 1.102 1157 K HN 0.446 nan 8.250 nan 0.000 0.436 1158 V N 3.980 123.759 119.914 -0.225 0.000 2.289 1158 V HA 0.297 4.415 4.120 -0.003 0.000 0.272 1158 V C 0.617 176.633 176.094 -0.129 0.000 1.026 1158 V CA -0.888 61.346 62.300 -0.110 0.000 0.807 1158 V CB 0.923 32.744 31.823 -0.004 0.000 1.044 1158 V HN 0.944 nan 8.190 nan 0.000 0.443 1159 G N 3.128 111.859 108.800 -0.114 0.000 2.636 1159 G HA2 0.517 4.476 3.960 -0.003 0.000 0.246 1159 G HA3 0.517 4.476 3.960 -0.003 0.000 0.246 1159 G C -0.383 174.492 174.900 -0.041 0.000 1.216 1159 G CA 0.059 45.111 45.100 -0.081 0.000 0.854 1159 G HN 0.603 nan 8.290 nan 0.000 0.572 1160 K N 0.000 120.384 120.400 -0.026 0.000 2.780 1160 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 1160 K CA 0.000 56.278 56.287 -0.015 0.000 0.838 1160 K CB 0.000 32.490 32.500 -0.016 0.000 1.064 1160 K HN 0.000 nan 8.250 nan 0.000 0.543