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 2xct_1_D DATA FIRST_RESID 417 DATA SEQUENCE KLADCSSKSP EECEIFLVEG DSAGGSTKSG RDSRTQAILP LRGKILNVEK DATA SEQUENCE ARLDRILNNN EIRQMITAFG TGIGGDFDLA KARYHKIVIM TDADVDGAHI DATA SEQUENCE RTLLLTFFYR FMRPLIEAGY VYIAQPPTXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXKGLGEM NADQLWETTM NPEHRALLQV KLEDAIEADQ DATA SEQUENCE TFEMLMGDVV ENRRQFIEDN AVYXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXNERNITS DATA SEQUENCE EMRESFLDYA MSVIVARALP DVRDGLKPVH RRILYGLNEQ GMTPDKSYKK DATA SEQUENCE SARIVGDVMG KYHPHGDSSI YEAMVRMAQD FSYRYPLVDG QGNFGSMDGD DATA SEQUENCE GAAAMRFTEA RMTKITLELL RDINKDTIDF IDNYDGNERE PSVLPARFPN DATA SEQUENCE LLANGASGIA VGMATNIPPH NLTELINGVL SLSKNPDISI AELMEDIEGP DATA SEQUENCE DFPTAGLILG KSGIRRAYET GRGSIQMRSR AVIEERGGGR QRIVVTEIPF DATA SEQUENCE QVNKARMIEK IAELVRDKKI DGITDLRDET SLRTGVRVVI DVRKDANASV DATA SEQUENCE ILNNLYKQTP LQTSFGVNMI ALVNGRPKLI NLKEALVHYL EHQKTVVRRR DATA SEQUENCE TQYNLRKAKD RAHILEGLRI ALDHIDEIIS TIRESDTDKV AMESLQQRFK DATA SEQUENCE LSEKQAQAIL DMRLRRLTGL ERDKIEAEYN ELLNYISELE TILADEEVLL DATA SEQUENCE QLVRDELTEI RDRFGDDRRT EIQLG 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 417 K HA 0.000 nan 4.320 nan 0.000 0.191 417 K C 0.000 176.603 176.600 0.005 0.000 0.988 417 K CA 0.000 56.288 56.287 0.002 0.000 0.838 417 K CB 0.000 32.498 32.500 -0.004 0.000 1.064 418 L N 2.492 123.719 121.223 0.007 0.000 2.605 418 L HA 0.478 4.817 4.340 -0.001 0.000 0.296 418 L C 0.347 177.233 176.870 0.027 0.000 1.255 418 L CA 0.492 55.342 54.840 0.016 0.000 0.879 418 L CB 0.166 42.241 42.059 0.027 0.000 1.124 418 L HN 1.056 nan 8.230 nan 0.000 0.507 419 A N 4.323 127.164 122.820 0.033 0.000 2.311 419 A HA 0.548 4.868 4.320 -0.001 0.000 0.306 419 A C -0.620 177.004 177.584 0.066 0.000 1.189 419 A CA -0.665 51.397 52.037 0.042 0.000 0.791 419 A CB 0.553 19.571 19.000 0.031 0.000 1.172 419 A HN 0.813 nan 8.150 nan 0.000 0.481 420 D N 0.793 121.240 120.400 0.079 0.000 2.432 420 D HA 0.577 5.216 4.640 -0.001 0.000 0.258 420 D C 0.089 176.455 176.300 0.109 0.000 1.146 420 D CA -0.161 53.909 54.000 0.117 0.000 1.015 420 D CB 1.371 42.237 40.800 0.109 0.000 1.107 420 D HN 0.771 nan 8.370 nan 0.000 0.529 421 C N 0.168 119.549 119.300 0.136 0.000 2.529 421 C HA 0.677 5.137 4.460 -0.001 0.000 0.329 421 C C 1.752 176.794 174.990 0.087 0.000 1.194 421 C CA -0.011 59.077 59.018 0.116 0.000 1.779 421 C CB 0.880 28.712 27.740 0.152 0.000 2.322 421 C HN 0.585 nan 8.230 nan 0.000 0.500 422 S N 1.679 117.418 115.700 0.066 0.000 2.356 422 S HA -0.127 4.343 4.470 -0.001 0.000 0.223 422 S C 1.161 175.789 174.600 0.046 0.000 1.032 422 S CA 1.346 59.574 58.200 0.047 0.000 1.005 422 S CB -0.793 62.428 63.200 0.035 0.000 0.867 422 S HN 1.253 nan 8.310 nan 0.000 0.449 423 S N 2.294 118.027 115.700 0.054 0.000 2.643 423 S HA 0.312 4.782 4.470 -0.001 0.000 0.329 423 S C 0.838 175.466 174.600 0.047 0.000 1.193 423 S CA 0.226 58.455 58.200 0.048 0.000 1.293 423 S CB -0.037 63.196 63.200 0.054 0.000 1.205 423 S HN 0.584 nan 8.310 nan 0.000 0.550 424 K N 2.813 123.230 120.400 0.029 0.000 2.458 424 K HA 0.270 4.590 4.320 -0.001 0.000 0.194 424 K C 0.495 177.099 176.600 0.008 0.000 1.024 424 K CA 0.238 56.534 56.287 0.015 0.000 1.108 424 K CB -0.125 32.380 32.500 0.009 0.000 0.846 424 K HN 0.623 nan 8.250 nan 0.000 0.518 425 S N 2.401 118.110 115.700 0.016 0.000 2.434 425 S HA 0.288 4.757 4.470 -0.001 0.000 0.318 425 S C -1.890 172.729 174.600 0.031 0.000 1.062 425 S CA -1.192 57.017 58.200 0.016 0.000 1.116 425 S CB 1.564 64.766 63.200 0.005 0.000 0.977 425 S HN 0.192 nan 8.310 nan 0.000 0.480 426 P HA -0.306 nan 4.420 nan 0.000 0.221 426 P C 1.783 179.183 177.300 0.167 0.000 1.160 426 P CA 2.424 65.614 63.100 0.149 0.000 0.933 426 P CB -0.028 31.799 31.700 0.212 0.000 0.793 427 E N 0.642 120.783 120.200 -0.099 0.000 2.365 427 E HA -0.356 3.994 4.350 -0.001 0.000 0.252 427 E C 1.373 177.857 176.600 -0.194 0.000 1.017 427 E CA 2.402 58.525 56.400 -0.462 0.000 1.051 427 E CB -2.267 27.251 29.700 -0.302 0.000 0.978 427 E HN 0.743 nan 8.360 nan 0.000 0.523 428 E N -0.312 119.840 120.200 -0.080 0.000 2.441 428 E HA 0.338 4.688 4.350 -0.001 0.000 0.210 428 E C 0.032 176.660 176.600 0.047 0.000 1.306 428 E CA -0.009 56.382 56.400 -0.015 0.000 1.307 428 E CB -0.915 28.785 29.700 0.000 0.000 1.297 428 E HN 0.449 nan 8.360 nan 0.000 0.440 429 C N 0.641 119.989 119.300 0.081 0.000 3.235 429 C HA 0.651 5.111 4.460 -0.001 0.000 0.351 429 C C -1.149 173.946 174.990 0.175 0.000 1.520 429 C CA -0.639 58.481 59.018 0.170 0.000 1.474 429 C CB 1.735 29.625 27.740 0.251 0.000 2.019 429 C HN 0.734 nan 8.230 nan 0.000 0.446 430 E N 0.160 120.487 120.200 0.212 0.000 2.532 430 E HA 0.326 4.675 4.350 -0.001 0.000 0.289 430 E C -1.935 174.399 176.600 -0.443 0.000 1.165 430 E CA -0.512 55.850 56.400 -0.063 0.000 0.926 430 E CB 0.341 29.934 29.700 -0.178 0.000 1.164 430 E HN 0.634 nan 8.360 nan 0.000 0.436 431 I N 2.066 122.175 120.570 -0.768 0.000 2.493 431 I HA 0.533 4.703 4.170 -0.001 0.000 0.298 431 I C -1.317 174.496 176.117 -0.507 0.000 0.998 431 I CA -1.208 59.631 61.300 -0.767 0.000 1.137 431 I CB 0.996 38.329 38.000 -1.112 0.000 1.310 431 I HN 0.506 nan 8.210 nan 0.000 0.445 432 F N 6.838 126.694 119.950 -0.156 0.000 2.411 432 F HA 0.399 4.926 4.527 -0.001 0.000 0.352 432 F C -0.189 175.585 175.800 -0.043 0.000 1.123 432 F CA -0.524 57.443 58.000 -0.055 0.000 1.044 432 F CB 1.251 40.232 39.000 -0.031 0.000 1.135 432 F HN 0.136 nan 8.300 nan 0.000 0.461 433 L N 5.659 126.965 121.223 0.139 0.000 2.302 433 L HA 0.390 4.729 4.340 -0.001 0.000 0.285 433 L C -0.300 176.633 176.870 0.105 0.000 1.090 433 L CA -0.809 54.088 54.840 0.095 0.000 0.866 433 L CB 0.438 42.563 42.059 0.109 0.000 1.244 433 L HN 0.433 nan 8.230 nan 0.000 0.435 434 V N 0.755 120.717 119.914 0.081 0.000 2.427 434 V HA 0.303 4.423 4.120 -0.001 0.000 0.286 434 V C 0.922 177.031 176.094 0.025 0.000 1.034 434 V CA -0.447 61.891 62.300 0.062 0.000 0.893 434 V CB 1.805 33.658 31.823 0.050 0.000 0.982 434 V HN 0.844 nan 8.190 nan 0.000 0.452 435 E N 4.414 124.626 120.200 0.021 0.000 1.998 435 E HA -0.096 4.253 4.350 -0.001 0.000 0.221 435 E C 1.153 177.751 176.600 -0.004 0.000 1.018 435 E CA 2.001 58.404 56.400 0.004 0.000 0.891 435 E CB -0.500 29.204 29.700 0.008 0.000 0.807 435 E HN 1.000 nan 8.360 nan 0.000 0.523 436 G N -1.874 106.926 108.800 -0.000 0.000 2.508 436 G HA2 0.257 4.217 3.960 -0.001 0.000 0.278 436 G HA3 0.257 4.217 3.960 -0.001 0.000 0.278 436 G C 0.546 175.444 174.900 -0.004 0.000 1.389 436 G CA 0.655 45.754 45.100 -0.002 0.000 1.050 436 G HN 0.513 nan 8.290 nan 0.000 0.522 437 D N -1.560 118.838 120.400 -0.004 0.000 2.323 437 D HA 0.073 4.713 4.640 -0.001 0.000 0.218 437 D C 2.515 178.812 176.300 -0.005 0.000 0.973 437 D CA 1.278 55.275 54.000 -0.004 0.000 0.890 437 D CB -0.231 40.567 40.800 -0.004 0.000 1.011 437 D HN 0.308 nan 8.370 nan 0.000 0.499 438 S N -0.248 115.450 115.700 -0.004 0.000 2.374 438 S HA -0.006 4.463 4.470 -0.001 0.000 0.227 438 S C 2.405 177.000 174.600 -0.008 0.000 1.037 438 S CA 1.527 59.723 58.200 -0.006 0.000 1.024 438 S CB -0.205 62.991 63.200 -0.006 0.000 0.861 438 S HN 0.732 nan 8.310 nan 0.000 0.456 439 A N 0.412 123.228 122.820 -0.007 0.000 2.169 439 A HA 0.352 4.671 4.320 -0.001 0.000 0.212 439 A C 2.089 179.667 177.584 -0.010 0.000 1.153 439 A CA 1.051 53.083 52.037 -0.008 0.000 0.756 439 A CB -0.677 18.319 19.000 -0.005 0.000 0.813 439 A HN 0.507 nan 8.150 nan 0.000 0.471 440 G N -0.261 108.534 108.800 -0.007 0.000 2.394 440 G HA2 0.129 4.088 3.960 -0.001 0.000 0.215 440 G HA3 0.129 4.088 3.960 -0.001 0.000 0.215 440 G C 1.332 176.227 174.900 -0.009 0.000 1.165 440 G CA 1.030 46.127 45.100 -0.006 0.000 0.784 440 G HN 0.621 nan 8.290 nan 0.000 0.535 441 G N 0.126 108.921 108.800 -0.009 0.000 2.939 441 G HA2 0.185 4.145 3.960 -0.001 0.000 0.210 441 G HA3 0.185 4.145 3.960 -0.001 0.000 0.210 441 G C 1.786 176.678 174.900 -0.014 0.000 1.160 441 G CA 0.983 46.077 45.100 -0.011 0.000 0.770 441 G HN 0.364 nan 8.290 nan 0.000 0.543 442 S N 0.958 116.649 115.700 -0.014 0.000 2.335 442 S HA -0.126 4.343 4.470 -0.001 0.000 0.216 442 S C 2.504 177.093 174.600 -0.018 0.000 1.032 442 S CA 1.686 59.877 58.200 -0.015 0.000 1.000 442 S CB -0.650 62.542 63.200 -0.013 0.000 0.928 442 S HN 0.357 nan 8.310 nan 0.000 0.434 443 T N 2.063 116.601 114.554 -0.025 0.000 2.918 443 T HA -0.093 4.257 4.350 -0.001 0.000 0.271 443 T C 1.199 175.879 174.700 -0.033 0.000 1.104 443 T CA 1.060 63.135 62.100 -0.042 0.000 1.114 443 T CB -0.249 68.577 68.868 -0.070 0.000 0.855 443 T HN 0.317 nan 8.240 nan 0.000 0.518 444 K N 0.562 120.948 120.400 -0.023 0.000 2.546 444 K HA 0.230 4.550 4.320 -0.001 0.000 0.198 444 K C 1.206 177.789 176.600 -0.028 0.000 1.028 444 K CA 0.037 56.313 56.287 -0.019 0.000 1.150 444 K CB 0.299 32.791 32.500 -0.012 0.000 0.876 444 K HN 0.106 nan 8.250 nan 0.000 0.508 445 S N -1.666 114.014 115.700 -0.034 0.000 2.648 445 S HA 0.060 4.530 4.470 -0.001 0.000 0.270 445 S C 1.523 176.075 174.600 -0.081 0.000 1.082 445 S CA -0.031 58.134 58.200 -0.058 0.000 1.116 445 S CB 0.909 64.078 63.200 -0.052 0.000 1.040 445 S HN 0.492 nan 8.310 nan 0.000 0.572 446 G N 2.929 111.715 108.800 -0.023 0.000 2.402 446 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.216 446 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.216 446 G C 0.623 175.572 174.900 0.081 0.000 1.162 446 G CA 0.131 45.263 45.100 0.054 0.000 0.777 446 G HN 0.577 nan 8.290 nan 0.000 0.539 447 R N 1.078 121.635 120.500 0.095 0.000 2.570 447 R HA 0.198 4.538 4.340 -0.001 0.000 0.277 447 R C -0.469 175.839 176.300 0.015 0.000 1.039 447 R CA -0.364 55.845 56.100 0.182 0.000 1.065 447 R CB 0.406 30.739 30.300 0.055 0.000 0.964 447 R HN 0.032 nan 8.270 nan 0.000 0.428 448 D N 1.583 122.113 120.400 0.217 0.000 2.449 448 D HA -0.075 4.564 4.640 -0.001 0.000 0.236 448 D C 0.355 176.681 176.300 0.043 0.000 1.149 448 D CA 0.316 54.337 54.000 0.036 0.000 0.878 448 D CB 0.908 41.874 40.800 0.278 0.000 1.198 448 D HN 0.674 nan 8.370 nan 0.000 0.446 449 S N 2.279 117.972 115.700 -0.011 0.000 2.597 449 S HA 0.208 4.678 4.470 -0.001 0.000 0.224 449 S C 0.887 175.507 174.600 0.033 0.000 0.955 449 S CA -0.298 57.902 58.200 0.001 0.000 0.933 449 S CB 0.232 63.411 63.200 -0.035 0.000 0.788 449 S HN 0.559 nan 8.310 nan 0.000 0.488 450 R N 0.160 120.696 120.500 0.059 0.000 2.478 450 R HA 0.164 4.503 4.340 -0.001 0.000 0.377 450 R C 0.086 176.442 176.300 0.093 0.000 0.853 450 R CA 0.690 56.830 56.100 0.066 0.000 1.113 450 R CB 0.723 31.049 30.300 0.044 0.000 1.725 450 R HN 0.520 nan 8.270 nan 0.000 0.524 451 T N -3.254 111.376 114.554 0.126 0.000 3.412 451 T HA 0.197 4.547 4.350 -0.001 0.000 0.305 451 T C 0.085 174.898 174.700 0.188 0.000 0.892 451 T CA -0.313 61.874 62.100 0.145 0.000 0.936 451 T CB 0.450 69.398 68.868 0.134 0.000 1.202 451 T HN -0.059 nan 8.240 nan 0.000 0.621 452 Q N 1.089 121.014 119.800 0.208 0.000 2.350 452 Q HA 0.696 5.035 4.340 -0.001 0.000 0.255 452 Q C -1.385 174.745 176.000 0.217 0.000 0.951 452 Q CA -0.577 55.395 55.803 0.282 0.000 0.751 452 Q CB 2.233 31.186 28.738 0.359 0.000 1.296 452 Q HN 0.495 nan 8.270 nan 0.000 0.453 453 A N 3.733 126.647 122.820 0.156 0.000 2.292 453 A HA 0.688 5.008 4.320 -0.001 0.000 0.319 453 A C -0.526 177.104 177.584 0.077 0.000 1.206 453 A CA -0.430 51.656 52.037 0.082 0.000 0.835 453 A CB 0.513 19.541 19.000 0.046 0.000 1.164 453 A HN 0.744 nan 8.150 nan 0.000 0.505 454 I N 2.352 122.968 120.570 0.077 0.000 2.354 454 I HA 0.292 4.461 4.170 -0.001 0.000 0.292 454 I C -0.834 175.298 176.117 0.024 0.000 0.989 454 I CA -0.540 60.805 61.300 0.076 0.000 1.188 454 I CB 1.754 39.783 38.000 0.049 0.000 1.342 454 I HN 0.536 nan 8.210 nan 0.000 0.457 455 L N 10.143 131.373 121.223 0.010 0.000 2.366 455 L HA 0.522 4.861 4.340 -0.001 0.000 0.266 455 L C -2.385 174.480 176.870 -0.009 0.000 1.010 455 L CA -1.880 52.948 54.840 -0.019 0.000 0.879 455 L CB 0.991 43.008 42.059 -0.070 0.000 1.228 455 L HN 0.259 nan 8.230 nan 0.000 0.439 456 P HA 0.058 nan 4.420 nan 0.000 0.265 456 P C -0.539 176.746 177.300 -0.025 0.000 1.222 456 P CA 0.148 63.243 63.100 -0.008 0.000 0.767 456 P CB 0.506 32.202 31.700 -0.006 0.000 0.801 457 L N 5.031 126.235 121.223 -0.031 0.000 2.371 457 L HA 0.228 4.568 4.340 -0.001 0.000 0.272 457 L C 1.689 178.536 176.870 -0.038 0.000 1.124 457 L CA -0.360 54.450 54.840 -0.051 0.000 0.816 457 L CB 0.581 42.598 42.059 -0.071 0.000 1.129 457 L HN 0.278 nan 8.230 nan 0.000 0.448 458 R N 1.231 121.707 120.500 -0.040 0.000 2.334 458 R HA 0.423 4.762 4.340 -0.001 0.000 0.220 458 R C 0.348 176.635 176.300 -0.022 0.000 0.917 458 R CA 0.040 56.125 56.100 -0.025 0.000 1.073 458 R CB 0.171 30.458 30.300 -0.022 0.000 1.056 458 R HN 0.773 nan 8.270 nan 0.000 0.506 459 G N -0.873 107.908 108.800 -0.032 0.000 2.353 459 G HA2 0.277 4.237 3.960 -0.001 0.000 0.308 459 G HA3 0.277 4.237 3.960 -0.001 0.000 0.308 459 G C -1.336 173.535 174.900 -0.048 0.000 1.418 459 G CA -0.747 44.338 45.100 -0.026 0.000 0.966 459 G HN 0.182 nan 8.290 nan 0.000 0.638 460 K N 0.136 120.510 120.400 -0.043 0.000 2.441 460 K HA 0.425 4.744 4.320 -0.001 0.000 0.273 460 K C 1.042 177.588 176.600 -0.090 0.000 1.090 460 K CA 1.089 57.326 56.287 -0.084 0.000 1.158 460 K CB -0.849 31.628 32.500 -0.039 0.000 0.847 460 K HN 0.927 nan 8.250 nan 0.000 0.483 461 I N 0.728 121.216 120.570 -0.137 0.000 3.276 461 I HA 0.322 4.492 4.170 -0.001 0.000 0.306 461 I C 0.968 177.023 176.117 -0.102 0.000 1.060 461 I CA -1.145 60.075 61.300 -0.134 0.000 1.133 461 I CB 0.452 38.332 38.000 -0.200 0.000 1.473 461 I HN 0.620 nan 8.210 nan 0.000 0.649 462 L N 2.294 123.460 121.223 -0.094 0.000 2.461 462 L HA 0.129 4.469 4.340 -0.001 0.000 0.272 462 L C 0.207 177.052 176.870 -0.041 0.000 1.197 462 L CA 0.415 55.225 54.840 -0.051 0.000 0.836 462 L CB 0.077 42.111 42.059 -0.042 0.000 1.105 462 L HN 0.542 nan 8.230 nan 0.000 0.477 463 N N 2.534 121.231 118.700 -0.004 0.000 2.422 463 N HA 0.106 4.845 4.740 -0.001 0.000 0.264 463 N C 0.449 175.975 175.510 0.026 0.000 1.063 463 N CA -0.102 52.960 53.050 0.020 0.000 0.959 463 N CB 1.459 39.974 38.487 0.046 0.000 1.087 463 N HN 0.523 nan 8.380 nan 0.000 0.483 464 V N 0.593 120.527 119.914 0.034 0.000 3.649 464 V HA 0.264 4.384 4.120 -0.001 0.000 0.275 464 V C 0.983 177.142 176.094 0.108 0.000 1.281 464 V CA 0.643 62.956 62.300 0.021 0.000 1.143 464 V CB -0.185 31.565 31.823 -0.122 0.000 0.892 464 V HN 0.538 nan 8.190 nan 0.000 0.441 465 E N 0.494 120.757 120.200 0.106 0.000 2.501 465 E HA 0.215 4.565 4.350 -0.001 0.000 0.200 465 E C 1.017 177.663 176.600 0.076 0.000 1.016 465 E CA 0.006 56.471 56.400 0.109 0.000 0.921 465 E CB 0.742 30.515 29.700 0.123 0.000 1.034 465 E HN 0.642 nan 8.360 nan 0.000 0.468 466 K N -0.156 120.283 120.400 0.065 0.000 2.403 466 K HA 0.251 4.571 4.320 -0.001 0.000 0.199 466 K C 0.566 177.195 176.600 0.048 0.000 1.199 466 K CA 0.129 56.448 56.287 0.053 0.000 0.924 466 K CB 1.273 33.804 32.500 0.052 0.000 1.137 466 K HN -0.111 nan 8.250 nan 0.000 0.510 467 A N 1.711 124.560 122.820 0.049 0.000 2.337 467 A HA 0.540 4.859 4.320 -0.001 0.000 0.329 467 A C -0.504 177.112 177.584 0.054 0.000 1.146 467 A CA -0.604 51.459 52.037 0.043 0.000 0.800 467 A CB 0.810 19.830 19.000 0.034 0.000 1.220 467 A HN 0.111 nan 8.150 nan 0.000 0.472 468 R N 0.515 121.044 120.500 0.048 0.000 2.649 468 R HA 0.220 4.560 4.340 -0.001 0.000 0.270 468 R C 1.032 177.371 176.300 0.065 0.000 1.105 468 R CA -0.727 55.406 56.100 0.055 0.000 1.193 468 R CB 0.213 30.536 30.300 0.039 0.000 1.120 468 R HN 0.643 nan 8.270 nan 0.000 0.561 469 L N 1.857 123.126 121.223 0.077 0.000 2.265 469 L HA -0.175 4.165 4.340 -0.001 0.000 0.215 469 L C 1.389 178.303 176.870 0.074 0.000 1.117 469 L CA 1.851 56.750 54.840 0.099 0.000 0.782 469 L CB -0.665 41.452 42.059 0.096 0.000 0.914 469 L HN 0.744 nan 8.230 nan 0.000 0.441 470 D N -1.217 119.214 120.400 0.052 0.000 2.149 470 D HA -0.234 4.406 4.640 -0.001 0.000 0.201 470 D C 2.149 178.472 176.300 0.039 0.000 0.972 470 D CA 1.071 55.097 54.000 0.042 0.000 0.835 470 D CB -0.360 40.460 40.800 0.032 0.000 0.966 470 D HN 0.263 nan 8.370 nan 0.000 0.476 471 R N 1.005 121.527 120.500 0.036 0.000 2.096 471 R HA -0.062 4.278 4.340 -0.001 0.000 0.229 471 R C 2.468 178.784 176.300 0.027 0.000 1.134 471 R CA 1.550 57.667 56.100 0.029 0.000 0.917 471 R CB -0.906 29.410 30.300 0.027 0.000 0.832 471 R HN 0.223 nan 8.270 nan 0.000 0.430 472 I N 0.773 121.359 120.570 0.027 0.000 2.121 472 I HA -0.360 3.809 4.170 -0.001 0.000 0.243 472 I C 2.015 178.151 176.117 0.031 0.000 1.047 472 I CA 1.589 62.894 61.300 0.007 0.000 1.308 472 I CB -0.489 37.496 38.000 -0.026 0.000 1.015 472 I HN 0.250 nan 8.210 nan 0.000 0.410 473 L N 0.609 121.864 121.223 0.053 0.000 2.740 473 L HA -0.162 4.178 4.340 -0.001 0.000 0.242 473 L C 1.646 178.548 176.870 0.052 0.000 1.175 473 L CA 0.902 55.782 54.840 0.066 0.000 0.859 473 L CB -0.770 41.331 42.059 0.070 0.000 0.992 473 L HN 0.463 nan 8.230 nan 0.000 0.454 474 N N -1.331 117.391 118.700 0.038 0.000 2.559 474 N HA -0.038 4.702 4.740 -0.001 0.000 0.247 474 N C 0.611 176.131 175.510 0.016 0.000 1.063 474 N CA -0.183 52.884 53.050 0.028 0.000 0.876 474 N CB 0.402 38.903 38.487 0.023 0.000 1.608 474 N HN 0.211 nan 8.380 nan 0.000 0.467 475 N N 3.057 121.761 118.700 0.006 0.000 2.223 475 N HA -0.123 4.617 4.740 -0.001 0.000 0.271 475 N C 0.561 176.061 175.510 -0.017 0.000 1.315 475 N CA 0.508 53.552 53.050 -0.010 0.000 0.835 475 N CB 0.247 38.719 38.487 -0.024 0.000 1.066 475 N HN 0.250 nan 8.380 nan 0.000 0.486 476 N N 3.248 121.938 118.700 -0.016 0.000 2.094 476 N HA -0.220 4.520 4.740 -0.001 0.000 0.191 476 N C 0.646 176.134 175.510 -0.036 0.000 1.023 476 N CA 1.537 54.578 53.050 -0.016 0.000 0.857 476 N CB 0.175 38.654 38.487 -0.013 0.000 1.013 476 N HN 0.638 nan 8.380 nan 0.000 0.426 477 E N 0.427 120.587 120.200 -0.067 0.000 2.085 477 E HA -0.154 4.196 4.350 -0.001 0.000 0.194 477 E C 2.077 178.588 176.600 -0.149 0.000 0.994 477 E CA 0.921 57.254 56.400 -0.113 0.000 0.801 477 E CB 0.005 29.617 29.700 -0.146 0.000 0.743 477 E HN 0.352 nan 8.360 nan 0.000 0.453 478 I N 0.919 121.409 120.570 -0.133 0.000 2.179 478 I HA -0.263 3.906 4.170 -0.001 0.000 0.242 478 I C 2.171 178.332 176.117 0.074 0.000 1.088 478 I CA 1.545 62.793 61.300 -0.087 0.000 1.357 478 I CB -0.926 37.080 38.000 0.010 0.000 1.051 478 I HN 0.126 nan 8.210 nan 0.000 0.409 479 R N 0.401 120.937 120.500 0.060 0.000 2.070 479 R HA -0.180 4.159 4.340 -0.001 0.000 0.233 479 R C 2.231 178.579 176.300 0.080 0.000 1.137 479 R CA 1.222 57.374 56.100 0.088 0.000 0.945 479 R CB -0.595 29.740 30.300 0.057 0.000 0.845 479 R HN 0.425 nan 8.270 nan 0.000 0.430 480 Q N 0.157 119.972 119.800 0.025 0.000 2.173 480 Q HA -0.201 4.138 4.340 -0.001 0.000 0.208 480 Q C 2.152 178.149 176.000 -0.006 0.000 0.989 480 Q CA 1.749 57.554 55.803 0.004 0.000 0.872 480 Q CB -0.048 28.672 28.738 -0.029 0.000 0.909 480 Q HN 0.428 nan 8.270 nan 0.000 0.420 481 M N -0.472 119.122 119.600 -0.010 0.000 2.236 481 M HA -0.102 4.378 4.480 -0.001 0.000 0.266 481 M C 2.054 178.450 176.300 0.160 0.000 1.070 481 M CA 0.970 56.235 55.300 -0.058 0.000 1.137 481 M CB -0.175 32.393 32.600 -0.054 0.000 1.378 481 M HN 0.214 nan 8.290 nan 0.000 0.426 482 I N 0.031 120.816 120.570 0.358 0.000 2.076 482 I HA -0.295 3.874 4.170 -0.001 0.000 0.237 482 I C 2.400 178.705 176.117 0.314 0.000 1.059 482 I CA 1.751 63.317 61.300 0.442 0.000 1.317 482 I CB -1.404 36.794 38.000 0.331 0.000 1.037 482 I HN 0.297 nan 8.210 nan 0.000 0.398 483 T N 1.335 116.001 114.554 0.187 0.000 2.607 483 T HA -0.231 4.119 4.350 -0.001 0.000 0.267 483 T C 2.038 176.812 174.700 0.123 0.000 1.049 483 T CA 1.592 63.770 62.100 0.130 0.000 1.162 483 T CB -0.708 68.210 68.868 0.084 0.000 0.863 483 T HN 0.499 nan 8.240 nan 0.000 0.424 484 A N 0.210 123.081 122.820 0.085 0.000 2.186 484 A HA 0.019 4.339 4.320 -0.001 0.000 0.219 484 A C 1.818 179.484 177.584 0.136 0.000 1.159 484 A CA 1.071 53.152 52.037 0.074 0.000 0.680 484 A CB -0.917 18.079 19.000 -0.006 0.000 0.787 484 A HN 0.432 nan 8.150 nan 0.000 0.467 485 F N -1.546 118.535 119.950 0.219 0.000 2.374 485 F HA 0.313 4.839 4.527 -0.001 0.000 0.291 485 F C 2.269 178.105 175.800 0.060 0.000 1.084 485 F CA 0.540 58.666 58.000 0.211 0.000 1.413 485 F CB -0.429 38.728 39.000 0.262 0.000 1.099 485 F HN 0.383 nan 8.300 nan 0.000 0.534 486 G N -0.131 108.817 108.800 0.246 0.000 2.396 486 G HA2 -0.446 3.514 3.960 -0.001 0.000 0.242 486 G HA3 -0.446 3.514 3.960 -0.001 0.000 0.242 486 G C 1.406 176.337 174.900 0.052 0.000 1.069 486 G CA 1.175 46.330 45.100 0.091 0.000 0.633 486 G HN 0.425 nan 8.290 nan 0.000 0.517 487 T N -0.186 114.399 114.554 0.051 0.000 2.778 487 T HA 0.313 4.662 4.350 -0.001 0.000 0.269 487 T C 2.308 176.987 174.700 -0.035 0.000 1.050 487 T CA 1.683 63.692 62.100 -0.151 0.000 1.137 487 T CB -0.625 68.069 68.868 -0.290 0.000 0.860 487 T HN 2.590 nan 8.240 nan 0.000 0.468 488 G N 1.517 110.405 108.800 0.147 0.000 2.750 488 G HA2 -0.035 3.925 3.960 -0.001 0.000 0.686 488 G HA3 -0.035 3.925 3.960 -0.001 0.000 0.686 488 G C -0.244 174.827 174.900 0.285 0.000 1.395 488 G CA -0.428 44.776 45.100 0.173 0.000 0.918 488 G HN 1.170 nan 8.290 nan 0.000 0.594 489 I N 0.259 120.952 120.570 0.206 0.000 3.842 489 I HA 0.876 5.046 4.170 -0.001 0.000 0.273 489 I C 1.781 177.929 176.117 0.052 0.000 1.348 489 I CA -0.351 61.036 61.300 0.145 0.000 0.948 489 I CB 0.341 38.437 38.000 0.160 0.000 1.534 489 I HN 2.299 nan 8.210 nan 0.000 0.656 490 G N 0.496 109.250 108.800 -0.078 0.000 2.661 490 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.327 490 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.327 490 G C 0.681 175.513 174.900 -0.113 0.000 1.320 490 G CA 0.352 45.353 45.100 -0.165 0.000 0.997 490 G HN 1.502 nan 8.290 nan 0.000 0.543 491 G N -0.698 108.055 108.800 -0.079 0.000 3.882 491 G HA2 0.497 4.456 3.960 -0.001 0.000 0.283 491 G HA3 0.497 4.456 3.960 -0.001 0.000 0.283 491 G C 0.222 175.122 174.900 -0.001 0.000 1.283 491 G CA 0.910 45.983 45.100 -0.045 0.000 1.402 491 G HN 0.512 nan 8.290 nan 0.000 0.618 492 D N -0.336 120.089 120.400 0.041 0.000 2.516 492 D HA -0.016 4.623 4.640 -0.001 0.000 0.241 492 D C 0.131 176.472 176.300 0.068 0.000 1.246 492 D CA -0.575 53.450 54.000 0.041 0.000 0.808 492 D CB 0.281 41.102 40.800 0.035 0.000 1.147 492 D HN 0.262 nan 8.370 nan 0.000 0.527 493 F N 3.313 123.222 119.950 -0.069 0.000 2.495 493 F HA -0.012 4.515 4.527 -0.000 0.000 0.339 493 F C 0.455 176.206 175.800 -0.082 0.000 1.226 493 F CA -0.181 57.770 58.000 -0.083 0.000 0.998 493 F CB 0.046 38.972 39.000 -0.123 0.000 1.180 493 F HN -0.313 nan 8.300 nan 0.000 0.611 494 D N 6.031 126.230 120.400 -0.336 0.000 2.494 494 D HA 0.015 4.655 4.640 -0.001 0.000 0.217 494 D C 1.035 176.990 176.300 -0.576 0.000 1.153 494 D CA -0.212 53.583 54.000 -0.342 0.000 0.954 494 D CB 0.385 41.074 40.800 -0.186 0.000 1.034 494 D HN 0.563 nan 8.370 nan 0.000 0.518 495 L N 3.247 123.998 121.223 -0.788 0.000 2.651 495 L HA -0.019 4.321 4.340 -0.001 0.000 0.236 495 L C 1.741 178.401 176.870 -0.350 0.000 1.173 495 L CA 1.031 55.398 54.840 -0.787 0.000 0.843 495 L CB -0.436 41.278 42.059 -0.576 0.000 0.964 495 L HN 0.403 nan 8.230 nan 0.000 0.454 496 A N -0.104 122.563 122.820 -0.255 0.000 1.854 496 A HA -0.161 4.159 4.320 -0.001 0.000 0.214 496 A C 2.055 179.570 177.584 -0.116 0.000 1.192 496 A CA 1.393 53.351 52.037 -0.132 0.000 0.611 496 A CB -0.339 18.602 19.000 -0.098 0.000 0.832 496 A HN 0.522 nan 8.150 nan 0.000 0.442 497 K N 0.978 121.295 120.400 -0.139 0.000 2.574 497 K HA 0.240 4.560 4.320 -0.001 0.000 0.193 497 K C 0.615 177.145 176.600 -0.118 0.000 1.035 497 K CA 0.330 56.553 56.287 -0.107 0.000 0.982 497 K CB -0.580 31.863 32.500 -0.094 0.000 0.795 497 K HN 0.377 nan 8.250 nan 0.000 0.491 498 A N 2.514 125.248 122.820 -0.144 0.000 2.512 498 A HA -0.064 4.255 4.320 -0.001 0.000 0.278 498 A C 0.875 178.385 177.584 -0.123 0.000 1.128 498 A CA -0.050 51.928 52.037 -0.098 0.000 0.818 498 A CB 0.083 19.067 19.000 -0.027 0.000 1.044 498 A HN 0.228 nan 8.150 nan 0.000 0.526 499 R N 1.224 121.595 120.500 -0.215 0.000 2.249 499 R HA -0.110 4.230 4.340 -0.001 0.000 0.230 499 R C -0.716 175.208 176.300 -0.627 0.000 1.121 499 R CA 1.222 56.997 56.100 -0.542 0.000 0.997 499 R CB -0.435 29.300 30.300 -0.941 0.000 0.867 499 R HN 0.811 nan 8.270 nan 0.000 0.465 500 Y N -1.452 118.900 120.300 0.085 0.000 2.396 500 Y HA 0.313 4.863 4.550 -0.000 0.000 0.332 500 Y C 0.913 176.704 175.900 -0.182 0.000 1.034 500 Y CA -0.821 57.308 58.100 0.047 0.000 1.057 500 Y CB 1.438 39.966 38.460 0.112 0.000 1.220 500 Y HN -0.059 nan 8.280 nan 0.000 0.440 501 H N 1.580 120.481 119.070 -0.281 0.000 2.548 501 H HA 0.165 4.720 4.556 -0.001 0.000 0.265 501 H C 0.303 175.407 175.328 -0.372 0.000 0.969 501 H CA 0.499 55.970 56.048 -0.962 0.000 1.155 501 H CB 0.489 29.866 29.762 -0.641 0.000 1.394 501 H HN 0.637 nan 8.280 nan 0.000 0.570 502 K N 1.298 121.757 120.400 0.097 0.000 2.723 502 K HA 0.379 4.699 4.320 -0.001 0.000 0.229 502 K C -1.000 175.675 176.600 0.125 0.000 1.022 502 K CA -0.523 55.928 56.287 0.274 0.000 1.045 502 K CB -0.251 32.285 32.500 0.059 0.000 1.227 502 K HN -0.021 nan 8.250 nan 0.000 0.516 503 I N 2.249 122.948 120.570 0.214 0.000 2.291 503 I HA 0.214 4.383 4.170 -0.001 0.000 0.292 503 I C 0.237 176.395 176.117 0.068 0.000 1.064 503 I CA -0.773 60.572 61.300 0.075 0.000 1.269 503 I CB 1.620 39.751 38.000 0.217 0.000 1.418 503 I HN 0.384 nan 8.210 nan 0.000 0.485 504 V N 7.627 127.421 119.914 -0.200 0.000 2.530 504 V HA 0.259 4.379 4.120 -0.001 0.000 0.282 504 V C 0.493 176.644 176.094 0.095 0.000 1.048 504 V CA -0.398 61.851 62.300 -0.085 0.000 0.997 504 V CB 1.098 32.696 31.823 -0.376 0.000 0.987 504 V HN 0.426 nan 8.190 nan 0.000 0.477 505 I N 5.861 126.543 120.570 0.186 0.000 2.310 505 I HA 0.325 4.495 4.170 -0.001 0.000 0.287 505 I C 0.206 176.426 176.117 0.172 0.000 1.073 505 I CA 0.105 61.523 61.300 0.198 0.000 1.216 505 I CB 0.656 38.787 38.000 0.218 0.000 1.415 505 I HN 0.616 nan 8.210 nan 0.000 0.480 506 M N 7.164 126.869 119.600 0.175 0.000 3.266 506 M HA 0.224 4.703 4.480 -0.001 0.000 0.260 506 M C -0.088 176.268 176.300 0.093 0.000 1.319 506 M CA -0.343 55.048 55.300 0.152 0.000 1.412 506 M CB 0.016 32.733 32.600 0.195 0.000 1.113 506 M HN 0.519 nan 8.290 nan 0.000 0.588 507 T N -0.983 113.618 114.554 0.077 0.000 2.910 507 T HA 0.255 4.605 4.350 -0.001 0.000 0.293 507 T C 0.056 174.782 174.700 0.043 0.000 1.015 507 T CA -0.894 61.235 62.100 0.048 0.000 1.094 507 T CB 1.045 69.936 68.868 0.038 0.000 0.968 507 T HN 0.384 nan 8.240 nan 0.000 0.521 508 D N 0.859 121.278 120.400 0.031 0.000 2.406 508 D HA 0.205 4.845 4.640 -0.001 0.000 0.234 508 D C 0.374 176.695 176.300 0.035 0.000 1.196 508 D CA -0.069 53.948 54.000 0.028 0.000 0.881 508 D CB 0.429 41.242 40.800 0.022 0.000 1.205 508 D HN 0.781 nan 8.370 nan 0.000 0.453 509 A N 2.608 125.447 122.820 0.031 0.000 3.202 509 A HA 0.272 4.591 4.320 -0.001 0.000 0.258 509 A C -0.331 177.273 177.584 0.033 0.000 1.572 509 A CA -0.468 51.590 52.037 0.035 0.000 1.241 509 A CB -0.496 18.523 19.000 0.031 0.000 1.127 509 A HN 0.502 nan 8.150 nan 0.000 0.648 510 D N -1.264 119.161 120.400 0.041 0.000 2.666 510 D HA 0.370 5.010 4.640 -0.001 0.000 0.252 510 D C 1.300 177.646 176.300 0.077 0.000 1.143 510 D CA 0.214 54.243 54.000 0.049 0.000 1.096 510 D CB 0.058 40.887 40.800 0.048 0.000 1.260 510 D HN 0.263 nan 8.370 nan 0.000 0.633 511 V N -2.393 117.581 119.914 0.101 0.000 2.407 511 V HA -0.039 4.081 4.120 -0.001 0.000 0.245 511 V C 0.932 177.159 176.094 0.223 0.000 1.041 511 V CA 1.494 63.889 62.300 0.160 0.000 1.040 511 V CB -0.827 31.087 31.823 0.150 0.000 0.671 511 V HN 0.431 nan 8.190 nan 0.000 0.455 512 D N 1.302 121.826 120.400 0.206 0.000 2.358 512 D HA 0.059 4.699 4.640 -0.001 0.000 0.241 512 D C 1.689 178.048 176.300 0.098 0.000 1.094 512 D CA 1.215 55.333 54.000 0.198 0.000 0.907 512 D CB 0.420 41.330 40.800 0.184 0.000 0.893 512 D HN 0.666 nan 8.370 nan 0.000 0.528 513 G N 0.554 109.402 108.800 0.080 0.000 2.768 513 G HA2 0.154 4.114 3.960 -0.001 0.000 0.201 513 G HA3 0.154 4.114 3.960 -0.001 0.000 0.201 513 G C 1.585 176.507 174.900 0.037 0.000 1.089 513 G CA 0.490 45.616 45.100 0.044 0.000 0.787 513 G HN 0.279 nan 8.290 nan 0.000 0.547 514 A N 0.090 122.947 122.820 0.061 0.000 2.014 514 A HA 0.038 4.358 4.320 -0.001 0.000 0.218 514 A C 1.939 179.552 177.584 0.048 0.000 1.163 514 A CA 1.610 53.686 52.037 0.065 0.000 0.652 514 A CB -0.733 18.319 19.000 0.087 0.000 0.808 514 A HN 0.542 nan 8.150 nan 0.000 0.449 515 H N -0.380 118.606 119.070 -0.139 0.000 2.395 515 H HA 0.039 4.595 4.556 -0.001 0.000 0.299 515 H C 1.758 176.967 175.328 -0.198 0.000 1.070 515 H CA 1.303 57.143 56.048 -0.348 0.000 1.356 515 H CB -0.002 29.216 29.762 -0.906 0.000 1.401 515 H HN 0.414 nan 8.280 nan 0.000 0.524 516 I N 0.927 121.326 120.570 -0.285 0.000 2.493 516 I HA -0.218 3.952 4.170 -0.001 0.000 0.254 516 I C 2.808 178.829 176.117 -0.159 0.000 1.160 516 I CA 0.864 61.996 61.300 -0.280 0.000 1.445 516 I CB -0.374 37.539 38.000 -0.144 0.000 1.086 516 I HN 0.285 nan 8.210 nan 0.000 0.433 517 R N 1.557 122.017 120.500 -0.068 0.000 2.075 517 R HA -0.208 4.131 4.340 -0.001 0.000 0.230 517 R C 2.504 178.812 176.300 0.014 0.000 1.140 517 R CA 2.792 58.895 56.100 0.005 0.000 0.928 517 R CB -0.845 29.483 30.300 0.048 0.000 0.834 517 R HN 0.384 nan 8.270 nan 0.000 0.429 518 T N -0.210 114.357 114.554 0.022 0.000 2.714 518 T HA -0.209 4.140 4.350 -0.001 0.000 0.268 518 T C 1.987 176.701 174.700 0.024 0.000 1.036 518 T CA 1.889 64.010 62.100 0.035 0.000 1.148 518 T CB -0.500 68.427 68.868 0.099 0.000 0.856 518 T HN 0.308 nan 8.240 nan 0.000 0.462 519 L N -0.334 120.849 121.223 -0.067 0.000 2.156 519 L HA 0.157 4.496 4.340 -0.001 0.000 0.208 519 L C 2.797 179.611 176.870 -0.093 0.000 1.095 519 L CA 0.833 55.619 54.840 -0.090 0.000 0.770 519 L CB -0.382 41.550 42.059 -0.213 0.000 0.914 519 L HN 0.303 nan 8.230 nan 0.000 0.439 520 L N -0.852 120.296 121.223 -0.125 0.000 2.095 520 L HA -0.152 4.188 4.340 -0.001 0.000 0.204 520 L C 2.446 179.207 176.870 -0.182 0.000 1.080 520 L CA 0.709 55.387 54.840 -0.269 0.000 0.759 520 L CB -0.181 41.751 42.059 -0.211 0.000 0.914 520 L HN 0.218 nan 8.230 nan 0.000 0.439 521 L N -0.609 120.670 121.223 0.094 0.000 1.989 521 L HA -0.242 4.098 4.340 -0.001 0.000 0.211 521 L C 2.504 179.610 176.870 0.393 0.000 1.071 521 L CA 1.827 56.855 54.840 0.314 0.000 0.749 521 L CB -1.144 41.136 42.059 0.369 0.000 0.890 521 L HN 0.288 nan 8.230 nan 0.000 0.431 522 T N -0.447 114.391 114.554 0.474 0.000 2.918 522 T HA -0.253 4.097 4.350 -0.001 0.000 0.271 522 T C 1.379 176.195 174.700 0.194 0.000 1.104 522 T CA 1.498 63.870 62.100 0.453 0.000 1.114 522 T CB -0.362 68.710 68.868 0.341 0.000 0.855 522 T HN 0.325 nan 8.240 nan 0.000 0.518 523 F N -0.305 119.598 119.950 -0.080 0.000 2.656 523 F HA 0.361 4.887 4.527 -0.001 0.000 0.291 523 F C 1.173 176.974 175.800 0.003 0.000 1.122 523 F CA -0.013 57.864 58.000 -0.205 0.000 1.427 523 F CB 0.215 38.944 39.000 -0.453 0.000 1.125 523 F HN 0.123 nan 8.300 nan 0.000 0.583 524 F N -1.468 118.602 119.950 0.200 0.000 2.727 524 F HA 0.055 4.581 4.527 -0.001 0.000 0.302 524 F C 1.163 176.925 175.800 -0.063 0.000 1.097 524 F CA -0.217 57.818 58.000 0.059 0.000 1.330 524 F CB 0.162 39.251 39.000 0.148 0.000 1.084 524 F HN 0.104 nan 8.300 nan 0.000 0.578 525 Y N 0.257 120.478 120.300 -0.131 0.000 2.558 525 Y HA 0.215 4.765 4.550 -0.000 0.000 0.273 525 Y C 1.900 177.583 175.900 -0.361 0.000 1.100 525 Y CA 0.449 58.325 58.100 -0.372 0.000 1.276 525 Y CB 0.152 38.078 38.460 -0.890 0.000 1.196 525 Y HN -0.282 nan 8.280 nan 0.000 0.527 526 R N -0.696 119.634 120.500 -0.283 0.000 2.312 526 R HA 0.162 4.502 4.340 -0.001 0.000 0.205 526 R C -0.201 175.664 176.300 -0.725 0.000 0.904 526 R CA 0.415 56.245 56.100 -0.449 0.000 1.052 526 R CB -0.132 30.063 30.300 -0.174 0.000 1.014 526 R HN 0.369 nan 8.270 nan 0.000 0.503 527 F N -1.417 118.235 119.950 -0.497 0.000 2.915 527 F HA 0.372 4.898 4.527 -0.001 0.000 0.347 527 F C 0.790 176.245 175.800 -0.575 0.000 1.104 527 F CA -0.038 57.646 58.000 -0.528 0.000 1.126 527 F CB 0.644 39.229 39.000 -0.693 0.000 1.145 527 F HN -0.215 nan 8.300 nan 0.000 0.541 528 M N -0.532 118.790 119.600 -0.463 0.000 4.752 528 M HA 0.232 4.712 4.480 -0.001 0.000 0.582 528 M C 1.535 177.415 176.300 -0.700 0.000 2.135 528 M CA 0.134 54.958 55.300 -0.795 0.000 0.515 528 M CB 0.328 32.610 32.600 -0.530 0.000 1.472 528 M HN -0.005 nan 8.290 nan 0.000 0.624 529 R N 0.853 120.977 120.500 -0.626 0.000 2.119 529 R HA -0.087 4.253 4.340 -0.001 0.000 0.246 529 R C -0.902 175.162 176.300 -0.392 0.000 1.146 529 R CA 2.094 57.898 56.100 -0.493 0.000 0.962 529 R CB -2.742 27.183 30.300 -0.625 0.000 0.863 529 R HN 0.303 nan 8.270 nan 0.000 0.442 530 P HA -0.109 nan 4.420 nan 0.000 0.219 530 P C 1.384 178.556 177.300 -0.212 0.000 1.146 530 P CA 0.711 63.662 63.100 -0.248 0.000 0.808 530 P CB -0.083 31.574 31.700 -0.072 0.000 0.779 531 L N -0.649 120.372 121.223 -0.336 0.000 2.056 531 L HA -0.119 4.220 4.340 -0.001 0.000 0.207 531 L C 2.098 178.771 176.870 -0.328 0.000 1.078 531 L CA 1.745 56.384 54.840 -0.334 0.000 0.749 531 L CB -1.101 40.730 42.059 -0.379 0.000 0.901 531 L HN -0.121 nan 8.230 nan 0.000 0.433 532 I N -0.606 119.826 120.570 -0.231 0.000 2.179 532 I HA -0.279 3.890 4.170 -0.001 0.000 0.242 532 I C 2.388 178.435 176.117 -0.117 0.000 1.088 532 I CA 1.499 62.719 61.300 -0.133 0.000 1.357 532 I CB -0.556 37.423 38.000 -0.035 0.000 1.051 532 I HN 0.344 nan 8.210 nan 0.000 0.409 533 E N 1.320 121.452 120.200 -0.114 0.000 2.058 533 E HA -0.245 4.105 4.350 -0.001 0.000 0.194 533 E C 2.388 178.927 176.600 -0.103 0.000 0.997 533 E CA 1.372 57.720 56.400 -0.087 0.000 0.801 533 E CB -0.292 29.360 29.700 -0.081 0.000 0.746 533 E HN 0.514 nan 8.360 nan 0.000 0.450 534 A N 0.689 123.395 122.820 -0.190 0.000 1.915 534 A HA -0.173 4.146 4.320 -0.001 0.000 0.220 534 A C 1.866 179.426 177.584 -0.041 0.000 1.198 534 A CA 2.051 53.935 52.037 -0.255 0.000 0.647 534 A CB -0.852 17.697 19.000 -0.753 0.000 0.825 534 A HN 0.483 nan 8.150 nan 0.000 0.456 535 G N -3.554 105.240 108.800 -0.009 0.000 2.337 535 G HA2 -0.127 3.833 3.960 -0.001 0.000 0.134 535 G HA3 -0.127 3.833 3.960 -0.001 0.000 0.134 535 G C 0.093 175.243 174.900 0.417 0.000 1.052 535 G CA 0.200 45.397 45.100 0.162 0.000 0.737 535 G HN 0.673 nan 8.290 nan 0.000 0.485 536 Y N -1.422 118.776 120.300 -0.171 0.000 2.425 536 Y HA 0.294 4.844 4.550 -0.001 0.000 0.261 536 Y C 1.327 177.106 175.900 -0.202 0.000 1.084 536 Y CA -0.693 57.356 58.100 -0.085 0.000 1.248 536 Y CB 1.206 39.645 38.460 -0.035 0.000 1.270 536 Y HN 0.155 nan 8.280 nan 0.000 0.524 537 V N 2.379 122.192 119.914 -0.169 0.000 2.479 537 V HA 0.017 4.136 4.120 -0.001 0.000 0.281 537 V C -0.714 175.202 176.094 -0.295 0.000 1.031 537 V CA 0.401 62.604 62.300 -0.162 0.000 1.038 537 V CB -0.688 31.070 31.823 -0.108 0.000 0.981 537 V HN 0.153 nan 8.190 nan 0.000 0.478 538 Y N 3.810 124.149 120.300 0.065 0.000 2.634 538 Y HA 0.687 5.236 4.550 -0.001 0.000 0.340 538 Y C 0.153 176.099 175.900 0.077 0.000 1.058 538 Y CA -1.076 57.056 58.100 0.053 0.000 1.081 538 Y CB 2.498 40.959 38.460 0.003 0.000 1.295 538 Y HN 0.352 nan 8.280 nan 0.000 0.487 539 I N 1.998 122.748 120.570 0.301 0.000 2.787 539 I HA 0.310 4.480 4.170 -0.001 0.000 0.275 539 I C -0.244 175.973 176.117 0.167 0.000 1.371 539 I CA -0.593 60.827 61.300 0.199 0.000 0.949 539 I CB 0.683 38.778 38.000 0.157 0.000 1.407 539 I HN 0.709 nan 8.210 nan 0.000 0.557 540 A N 4.071 126.989 122.820 0.163 0.000 2.664 540 A HA -0.021 4.299 4.320 -0.001 0.000 0.228 540 A C 0.436 178.078 177.584 0.096 0.000 1.091 540 A CA 0.721 52.836 52.037 0.131 0.000 0.793 540 A CB 0.144 19.247 19.000 0.171 0.000 1.003 540 A HN 0.650 nan 8.150 nan 0.000 0.510 541 Q N 0.625 120.464 119.800 0.065 0.000 2.788 541 Q HA 0.278 4.618 4.340 -0.001 0.000 0.285 541 Q C -2.480 173.541 176.000 0.035 0.000 1.063 541 Q CA -1.537 54.296 55.803 0.051 0.000 0.958 541 Q CB 0.443 29.207 28.738 0.043 0.000 1.211 541 Q HN 0.463 nan 8.270 nan 0.000 0.478 542 P HA 0.063 nan 4.420 nan 0.000 0.265 542 P C -2.340 174.971 177.300 0.020 0.000 1.193 542 P CA -0.709 62.405 63.100 0.024 0.000 0.765 542 P CB -0.076 31.642 31.700 0.029 0.000 0.823 543 P HA 0.187 nan 4.420 nan 0.000 0.282 543 P C -0.367 176.941 177.300 0.014 0.000 1.262 543 P CA -0.031 63.075 63.100 0.011 0.000 0.773 543 P CB 0.528 32.230 31.700 0.004 0.000 0.879 582 G N -1.019 107.763 108.800 -0.030 0.000 2.712 582 G HA2 0.263 4.223 3.960 -0.001 0.000 0.686 582 G HA3 0.263 4.223 3.960 -0.001 0.000 0.686 582 G C 0.048 174.938 174.900 -0.017 0.000 1.321 582 G CA 0.097 45.175 45.100 -0.036 0.000 0.813 582 G HN 1.576 nan 8.290 nan 0.000 0.599 583 L N 2.184 123.399 121.223 -0.013 0.000 2.194 583 L HA 0.306 4.645 4.340 -0.001 0.000 0.197 583 L C 3.034 179.898 176.870 -0.010 0.000 1.106 583 L CA 3.055 57.891 54.840 -0.006 0.000 0.785 583 L CB -1.500 40.559 42.059 0.001 0.000 0.960 583 L HN 1.258 nan 8.230 nan 0.000 0.465 584 G N 0.785 109.578 108.800 -0.012 0.000 2.574 584 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.220 584 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.220 584 G C 0.857 175.750 174.900 -0.013 0.000 1.173 584 G CA 0.920 46.013 45.100 -0.012 0.000 0.772 584 G HN 0.703 nan 8.290 nan 0.000 0.585 585 E N 0.375 120.565 120.200 -0.016 0.000 2.565 585 E HA 0.209 4.558 4.350 -0.001 0.000 0.212 585 E C 0.524 177.118 176.600 -0.009 0.000 1.341 585 E CA -0.005 56.387 56.400 -0.014 0.000 1.236 585 E CB -0.429 29.261 29.700 -0.017 0.000 1.246 585 E HN 0.411 nan 8.360 nan 0.000 0.446 586 M N 0.594 120.189 119.600 -0.008 0.000 2.705 586 M HA 0.294 4.773 4.480 -0.001 0.000 0.311 586 M C 0.188 176.485 176.300 -0.005 0.000 1.214 586 M CA -1.121 54.176 55.300 -0.005 0.000 0.920 586 M CB 1.325 33.922 32.600 -0.005 0.000 1.687 586 M HN -0.046 nan 8.290 nan 0.000 0.481 587 N N 0.166 118.865 118.700 -0.002 0.000 2.317 587 N HA 0.256 4.996 4.740 -0.001 0.000 0.245 587 N C 0.628 176.139 175.510 0.002 0.000 1.294 587 N CA 0.112 53.161 53.050 -0.002 0.000 0.924 587 N CB 0.604 39.091 38.487 0.000 0.000 1.186 587 N HN 0.783 nan 8.380 nan 0.000 0.495 588 A N 0.400 123.219 122.820 -0.002 0.000 1.858 588 A HA -0.178 4.141 4.320 -0.001 0.000 0.216 588 A C 1.415 179.014 177.584 0.025 0.000 1.190 588 A CA 2.027 54.063 52.037 -0.002 0.000 0.617 588 A CB -0.492 18.496 19.000 -0.020 0.000 0.827 588 A HN 0.827 nan 8.150 nan 0.000 0.443 589 D N -1.171 119.246 120.400 0.029 0.000 2.333 589 D HA -0.101 4.539 4.640 -0.001 0.000 0.208 589 D C 1.747 178.114 176.300 0.111 0.000 0.984 589 D CA 1.108 55.163 54.000 0.091 0.000 0.873 589 D CB -0.577 40.245 40.800 0.036 0.000 0.935 589 D HN 0.435 nan 8.370 nan 0.000 0.521 590 Q N 0.526 120.355 119.800 0.050 0.000 2.368 590 Q HA -0.041 4.298 4.340 -0.001 0.000 0.210 590 Q C 1.879 177.894 176.000 0.025 0.000 0.982 590 Q CA 0.975 56.795 55.803 0.028 0.000 0.884 590 Q CB -0.295 28.448 28.738 0.010 0.000 0.933 590 Q HN 0.384 nan 8.270 nan 0.000 0.460 591 L N -1.308 119.939 121.223 0.040 0.000 2.298 591 L HA 0.006 4.346 4.340 -0.001 0.000 0.209 591 L C 2.115 179.001 176.870 0.028 0.000 1.084 591 L CA 0.399 55.247 54.840 0.014 0.000 0.816 591 L CB -0.595 41.463 42.059 -0.003 0.000 0.967 591 L HN 0.505 nan 8.230 nan 0.000 0.460 592 W N 1.800 123.040 121.300 -0.100 0.000 2.354 592 W HA -0.187 4.473 4.660 -0.001 0.000 0.315 592 W C 1.983 178.460 176.519 -0.070 0.000 1.206 592 W CA 1.309 58.593 57.345 -0.101 0.000 1.290 592 W CB 0.042 29.454 29.460 -0.079 0.000 1.152 592 W HN 0.107 nan 8.180 nan 0.000 0.489 593 E N -0.093 120.103 120.200 -0.008 0.000 2.150 593 E HA -0.127 4.222 4.350 -0.001 0.000 0.193 593 E C 2.054 178.556 176.600 -0.164 0.000 0.985 593 E CA 2.278 58.598 56.400 -0.134 0.000 0.814 593 E CB -0.526 29.160 29.700 -0.025 0.000 0.752 593 E HN 0.385 nan 8.360 nan 0.000 0.466 594 T N -2.337 112.152 114.554 -0.108 0.000 3.057 594 T HA 0.111 4.461 4.350 -0.001 0.000 0.254 594 T C 1.493 176.143 174.700 -0.084 0.000 1.094 594 T CA 0.870 62.926 62.100 -0.075 0.000 1.088 594 T CB 0.326 69.170 68.868 -0.040 0.000 0.934 594 T HN -0.017 nan 8.240 nan 0.000 0.497 595 T N 0.314 114.785 114.554 -0.137 0.000 3.236 595 T HA 0.355 4.704 4.350 -0.001 0.000 0.265 595 T C 1.467 176.054 174.700 -0.188 0.000 0.912 595 T CA -0.292 61.739 62.100 -0.115 0.000 0.946 595 T CB 0.062 68.886 68.868 -0.074 0.000 1.241 595 T HN 0.148 nan 8.240 nan 0.000 0.513 596 M N 1.261 120.651 119.600 -0.350 0.000 2.382 596 M HA 0.287 4.767 4.480 -0.001 0.000 0.247 596 M C 0.546 176.353 176.300 -0.822 0.000 1.104 596 M CA 0.120 55.128 55.300 -0.487 0.000 1.030 596 M CB 0.204 32.518 32.600 -0.478 0.000 1.424 596 M HN 0.118 nan 8.290 nan 0.000 0.486 597 N N 2.279 120.350 118.700 -1.048 0.000 2.415 597 N HA 0.104 4.844 4.740 -0.001 0.000 0.246 597 N C -2.104 173.067 175.510 -0.564 0.000 1.078 597 N CA -1.580 50.657 53.050 -1.356 0.000 0.942 597 N CB 1.321 39.082 38.487 -1.211 0.000 1.140 597 N HN -0.163 nan 8.380 nan 0.000 0.501 598 P HA -0.202 nan 4.420 nan 0.000 0.217 598 P C 1.157 178.372 177.300 -0.142 0.000 1.151 598 P CA 1.625 64.612 63.100 -0.189 0.000 0.849 598 P CB 0.191 31.831 31.700 -0.100 0.000 0.787 599 E N -0.981 119.152 120.200 -0.112 0.000 2.118 599 E HA -0.251 4.098 4.350 -0.001 0.000 0.195 599 E C 1.387 177.836 176.600 -0.252 0.000 0.992 599 E CA 1.919 58.259 56.400 -0.099 0.000 0.804 599 E CB -1.605 28.132 29.700 0.062 0.000 0.741 599 E HN 0.512 nan 8.360 nan 0.000 0.458 600 H N -1.929 117.059 119.070 -0.137 0.000 3.233 600 H HA 0.233 4.788 4.556 -0.001 0.000 0.263 600 H C 0.592 175.851 175.328 -0.115 0.000 1.168 600 H CA 0.003 55.988 56.048 -0.106 0.000 1.159 600 H CB 0.662 30.367 29.762 -0.095 0.000 1.593 600 H HN 0.407 nan 8.280 nan 0.000 0.580 601 R N 1.172 121.635 120.500 -0.061 0.000 2.390 601 R HA 0.641 4.980 4.340 -0.001 0.000 0.291 601 R C -0.592 175.680 176.300 -0.046 0.000 1.070 601 R CA -0.460 55.594 56.100 -0.077 0.000 1.014 601 R CB 0.976 31.194 30.300 -0.135 0.000 1.007 601 R HN 0.038 nan 8.270 nan 0.000 0.466 602 A N 5.757 128.566 122.820 -0.018 0.000 2.249 602 A HA 0.471 4.790 4.320 -0.001 0.000 0.314 602 A C -0.157 177.438 177.584 0.018 0.000 1.290 602 A CA -0.880 51.158 52.037 0.002 0.000 0.893 602 A CB 0.603 19.613 19.000 0.016 0.000 1.165 602 A HN 0.750 nan 8.150 nan 0.000 0.530 603 L N 1.556 122.792 121.223 0.023 0.000 2.422 603 L HA 0.699 5.039 4.340 -0.001 0.000 0.263 603 L C -0.557 176.396 176.870 0.138 0.000 1.110 603 L CA -0.891 53.984 54.840 0.059 0.000 1.065 603 L CB 1.307 43.336 42.059 -0.051 0.000 1.701 603 L HN 0.586 nan 8.230 nan 0.000 0.548 604 L N 1.078 122.461 121.223 0.266 0.000 2.795 604 L HA 0.223 4.562 4.340 -0.001 0.000 0.260 604 L C -1.078 175.980 176.870 0.314 0.000 0.935 604 L CA -0.245 54.741 54.840 0.244 0.000 0.985 604 L CB 2.334 44.487 42.059 0.157 0.000 1.433 604 L HN 0.596 nan 8.230 nan 0.000 0.447 605 Q N 2.209 122.112 119.800 0.172 0.000 2.243 605 Q HA 0.448 4.787 4.340 -0.001 0.000 0.252 605 Q C -1.044 174.911 176.000 -0.075 0.000 0.909 605 Q CA -0.595 55.104 55.803 -0.174 0.000 0.922 605 Q CB 2.188 30.764 28.738 -0.270 0.000 1.215 605 Q HN 0.452 nan 8.270 nan 0.000 0.427 606 V N 3.397 123.250 119.914 -0.103 0.000 2.372 606 V HA 0.227 4.347 4.120 -0.001 0.000 0.261 606 V C 0.391 176.471 176.094 -0.024 0.000 1.055 606 V CA -0.277 62.011 62.300 -0.020 0.000 0.930 606 V CB 0.305 32.143 31.823 0.026 0.000 1.031 606 V HN 0.744 nan 8.190 nan 0.000 0.479 607 K N 5.192 125.589 120.400 -0.005 0.000 2.310 607 K HA 0.496 4.816 4.320 -0.001 0.000 0.290 607 K C -0.515 176.091 176.600 0.010 0.000 1.077 607 K CA -0.512 55.774 56.287 -0.002 0.000 0.922 607 K CB 0.687 33.190 32.500 0.005 0.000 1.057 607 K HN 0.661 nan 8.250 nan 0.000 0.479 608 L N 3.328 124.560 121.223 0.014 0.000 2.363 608 L HA 0.422 4.762 4.340 -0.001 0.000 0.286 608 L C 1.102 177.984 176.870 0.019 0.000 1.106 608 L CA 0.887 55.743 54.840 0.028 0.000 0.859 608 L CB 0.286 42.383 42.059 0.064 0.000 1.223 608 L HN 0.864 nan 8.230 nan 0.000 0.446 609 E N 3.224 123.430 120.200 0.011 0.000 2.052 609 E HA -0.010 4.339 4.350 -0.001 0.000 0.192 609 E C 0.337 176.942 176.600 0.009 0.000 0.958 609 E CA 0.948 57.352 56.400 0.007 0.000 0.835 609 E CB -0.384 29.318 29.700 0.003 0.000 0.811 609 E HN 0.727 nan 8.360 nan 0.000 0.462 610 D N -0.951 119.452 120.400 0.004 0.000 2.479 610 D HA 0.562 5.202 4.640 -0.001 0.000 0.247 610 D C 0.790 177.098 176.300 0.014 0.000 1.119 610 D CA 0.416 54.420 54.000 0.006 0.000 0.922 610 D CB 0.874 41.672 40.800 -0.003 0.000 1.014 610 D HN 0.296 nan 8.370 nan 0.000 0.510 611 A N 4.246 127.090 122.820 0.038 0.000 2.076 611 A HA -0.155 4.165 4.320 -0.001 0.000 0.220 611 A C 1.908 179.535 177.584 0.072 0.000 1.160 611 A CA 0.859 52.949 52.037 0.089 0.000 0.653 611 A CB -0.487 18.573 19.000 0.099 0.000 0.801 611 A HN 0.661 nan 8.150 nan 0.000 0.455 612 I N -0.201 120.389 120.570 0.033 0.000 2.252 612 I HA -0.189 3.981 4.170 -0.001 0.000 0.245 612 I C 2.350 178.473 176.117 0.010 0.000 1.102 612 I CA 1.756 63.068 61.300 0.020 0.000 1.385 612 I CB -1.513 36.492 38.000 0.007 0.000 1.064 612 I HN 0.614 nan 8.210 nan 0.000 0.414 613 E N 1.442 121.640 120.200 -0.004 0.000 2.016 613 E HA -0.160 4.189 4.350 -0.001 0.000 0.190 613 E C 2.365 178.943 176.600 -0.037 0.000 0.985 613 E CA 1.333 57.718 56.400 -0.025 0.000 0.802 613 E CB -0.003 29.676 29.700 -0.034 0.000 0.762 613 E HN 0.321 nan 8.360 nan 0.000 0.448 614 A N 1.617 124.407 122.820 -0.049 0.000 1.884 614 A HA -0.293 4.026 4.320 -0.001 0.000 0.219 614 A C 1.962 179.540 177.584 -0.010 0.000 1.197 614 A CA 2.216 54.202 52.037 -0.085 0.000 0.637 614 A CB -1.097 17.755 19.000 -0.246 0.000 0.827 614 A HN 0.404 nan 8.150 nan 0.000 0.450 615 D N -0.865 119.567 120.400 0.053 0.000 2.254 615 D HA -0.185 4.454 4.640 -0.001 0.000 0.201 615 D C 2.097 178.455 176.300 0.097 0.000 0.998 615 D CA 1.721 55.816 54.000 0.159 0.000 0.885 615 D CB -0.173 40.709 40.800 0.136 0.000 0.915 615 D HN 0.735 nan 8.370 nan 0.000 0.460 616 Q N -1.255 118.566 119.800 0.034 0.000 2.349 616 Q HA 0.041 4.381 4.340 -0.001 0.000 0.209 616 Q C 2.071 178.046 176.000 -0.040 0.000 0.920 616 Q CA 0.743 56.545 55.803 -0.001 0.000 0.901 616 Q CB 0.362 29.087 28.738 -0.023 0.000 1.021 616 Q HN 0.163 nan 8.270 nan 0.000 0.519 617 T N 0.674 115.182 114.554 -0.077 0.000 2.668 617 T HA -0.098 4.252 4.350 -0.001 0.000 0.262 617 T C 1.352 175.952 174.700 -0.167 0.000 1.045 617 T CA 1.002 62.990 62.100 -0.186 0.000 1.152 617 T CB -0.499 68.203 68.868 -0.277 0.000 0.864 617 T HN 0.134 nan 8.240 nan 0.000 0.419 618 F N 1.599 121.453 119.950 -0.160 0.000 2.225 618 F HA -0.143 4.383 4.527 -0.000 0.000 0.302 618 F C 2.542 178.298 175.800 -0.073 0.000 1.068 618 F CA 1.356 59.287 58.000 -0.116 0.000 1.327 618 F CB -0.174 38.783 39.000 -0.072 0.000 1.043 618 F HN 0.268 nan 8.300 nan 0.000 0.506 619 E N 0.020 120.278 120.200 0.096 0.000 2.086 619 E HA -0.190 4.160 4.350 -0.001 0.000 0.190 619 E C 2.318 178.907 176.600 -0.018 0.000 0.975 619 E CA 0.700 57.128 56.400 0.047 0.000 0.813 619 E CB -0.115 29.611 29.700 0.043 0.000 0.768 619 E HN 0.435 nan 8.360 nan 0.000 0.457 620 M N 0.657 120.218 119.600 -0.065 0.000 2.086 620 M HA -0.191 4.289 4.480 -0.001 0.000 0.261 620 M C 1.829 178.053 176.300 -0.128 0.000 1.067 620 M CA 1.484 56.731 55.300 -0.089 0.000 1.116 620 M CB -0.066 32.454 32.600 -0.133 0.000 1.348 620 M HN 0.160 nan 8.290 nan 0.000 0.407 621 L N 0.141 121.230 121.223 -0.225 0.000 2.007 621 L HA -0.126 4.214 4.340 -0.001 0.000 0.205 621 L C 2.057 178.717 176.870 -0.351 0.000 1.073 621 L CA 0.854 55.460 54.840 -0.390 0.000 0.744 621 L CB -0.440 41.284 42.059 -0.559 0.000 0.898 621 L HN 0.413 nan 8.230 nan 0.000 0.435 622 M N -0.088 119.391 119.600 -0.201 0.000 2.453 622 M HA 0.254 4.734 4.480 -0.001 0.000 0.239 622 M C 0.843 177.141 176.300 -0.003 0.000 1.151 622 M CA -0.056 55.195 55.300 -0.081 0.000 0.989 622 M CB -1.228 31.372 32.600 -0.001 0.000 1.548 622 M HN 0.009 nan 8.290 nan 0.000 0.479 623 G N 1.501 110.293 108.800 -0.013 0.000 2.621 623 G HA2 0.219 4.179 3.960 -0.001 0.000 0.271 623 G HA3 0.219 4.179 3.960 -0.001 0.000 0.271 623 G C 0.261 175.175 174.900 0.023 0.000 1.236 623 G CA -0.165 44.945 45.100 0.016 0.000 0.958 623 G HN 0.462 nan 8.290 nan 0.000 0.512 624 D N -2.407 118.009 120.400 0.027 0.000 2.349 624 D HA -0.076 4.564 4.640 -0.001 0.000 0.215 624 D C 1.096 177.413 176.300 0.029 0.000 1.016 624 D CA -0.052 53.966 54.000 0.031 0.000 0.870 624 D CB -0.004 40.814 40.800 0.030 0.000 0.917 624 D HN 0.141 nan 8.370 nan 0.000 0.524 625 V N 1.246 121.175 119.914 0.025 0.000 2.055 625 V HA 0.078 4.198 4.120 -0.001 0.000 0.248 625 V C 1.789 177.904 176.094 0.034 0.000 1.476 625 V CA -0.464 61.852 62.300 0.026 0.000 1.417 625 V CB -0.113 31.722 31.823 0.020 0.000 1.465 625 V HN 0.009 nan 8.190 nan 0.000 0.502 626 V N 2.380 122.319 119.914 0.042 0.000 2.311 626 V HA -0.327 3.792 4.120 -0.001 0.000 0.256 626 V C 2.662 178.791 176.094 0.059 0.000 1.077 626 V CA 2.717 65.051 62.300 0.056 0.000 1.067 626 V CB -0.441 31.414 31.823 0.052 0.000 0.659 626 V HN 0.948 nan 8.190 nan 0.000 0.451 627 E N 0.622 120.849 120.200 0.045 0.000 2.204 627 E HA -0.171 4.178 4.350 -0.001 0.000 0.194 627 E C 1.837 178.470 176.600 0.054 0.000 0.989 627 E CA 1.449 57.876 56.400 0.045 0.000 0.824 627 E CB -0.338 29.382 29.700 0.033 0.000 0.756 627 E HN 0.664 nan 8.360 nan 0.000 0.477 628 N N 0.528 119.258 118.700 0.050 0.000 2.106 628 N HA -0.158 4.581 4.740 -0.001 0.000 0.188 628 N C 1.741 177.308 175.510 0.094 0.000 1.029 628 N CA 1.359 54.442 53.050 0.056 0.000 0.848 628 N CB -0.460 38.044 38.487 0.028 0.000 1.007 628 N HN 0.208 nan 8.380 nan 0.000 0.423 629 R N 1.032 121.588 120.500 0.094 0.000 2.152 629 R HA 0.011 4.351 4.340 -0.001 0.000 0.232 629 R C 2.230 178.654 176.300 0.207 0.000 1.117 629 R CA 0.900 57.091 56.100 0.152 0.000 0.981 629 R CB 0.111 30.487 30.300 0.127 0.000 0.870 629 R HN 0.167 nan 8.270 nan 0.000 0.451 630 R N -0.084 120.497 120.500 0.136 0.000 2.055 630 R HA -0.135 4.205 4.340 -0.001 0.000 0.226 630 R C 2.174 178.527 176.300 0.088 0.000 1.135 630 R CA 1.600 57.760 56.100 0.099 0.000 0.959 630 R CB -0.209 30.128 30.300 0.062 0.000 0.854 630 R HN 0.109 nan 8.270 nan 0.000 0.431 631 Q N 0.180 120.036 119.800 0.094 0.000 2.156 631 Q HA -0.234 4.105 4.340 -0.001 0.000 0.211 631 Q C 1.691 177.765 176.000 0.125 0.000 0.995 631 Q CA 2.246 58.101 55.803 0.087 0.000 0.877 631 Q CB -0.525 28.264 28.738 0.084 0.000 0.920 631 Q HN 0.391 nan 8.270 nan 0.000 0.416 632 F N -0.174 119.793 119.950 0.028 0.000 2.039 632 F HA -0.133 4.393 4.527 -0.001 0.000 0.294 632 F C 1.800 177.625 175.800 0.042 0.000 1.130 632 F CA 1.446 59.465 58.000 0.032 0.000 1.189 632 F CB -0.848 38.172 39.000 0.033 0.000 0.983 632 F HN 0.148 nan 8.300 nan 0.000 0.471 633 I N 0.691 121.088 120.570 -0.287 0.000 2.195 633 I HA -0.479 3.691 4.170 -0.001 0.000 0.232 633 I C 2.613 178.576 176.117 -0.257 0.000 0.986 633 I CA 2.313 63.422 61.300 -0.319 0.000 1.283 633 I CB -0.757 37.207 38.000 -0.060 0.000 0.990 633 I HN 0.305 nan 8.210 nan 0.000 0.390 634 E N 0.418 120.548 120.200 -0.118 0.000 2.108 634 E HA -0.311 4.039 4.350 -0.001 0.000 0.203 634 E C 1.729 178.270 176.600 -0.098 0.000 1.022 634 E CA 2.087 58.435 56.400 -0.086 0.000 0.823 634 E CB -0.035 29.643 29.700 -0.037 0.000 0.744 634 E HN 0.475 nan 8.360 nan 0.000 0.456 635 D N 0.175 120.518 120.400 -0.096 0.000 2.104 635 D HA -0.132 4.508 4.640 -0.001 0.000 0.194 635 D C 0.598 176.832 176.300 -0.110 0.000 0.994 635 D CA 1.044 55.003 54.000 -0.069 0.000 0.830 635 D CB -0.440 40.357 40.800 -0.006 0.000 0.959 635 D HN 0.284 nan 8.370 nan 0.000 0.452 636 N N 0.674 119.236 118.700 -0.231 0.000 2.802 636 N HA 0.300 5.040 4.740 -0.001 0.000 0.288 636 N C -0.523 174.872 175.510 -0.193 0.000 1.268 636 N CA -0.214 52.703 53.050 -0.221 0.000 1.035 636 N CB 0.759 39.038 38.487 -0.346 0.000 1.353 636 N HN -0.024 nan 8.380 nan 0.000 0.522 637 A N 1.169 123.908 122.820 -0.136 0.000 2.880 637 A HA 0.318 4.637 4.320 -0.001 0.000 0.328 637 A C -0.016 177.524 177.584 -0.074 0.000 1.440 637 A CA -0.394 51.578 52.037 -0.109 0.000 1.068 637 A CB 0.146 19.088 19.000 -0.097 0.000 1.163 637 A HN 0.144 nan 8.150 nan 0.000 0.510 638 V N 2.224 122.098 119.914 -0.066 0.000 2.370 638 V HA 0.665 4.785 4.120 -0.001 0.000 0.283 638 V C 0.265 176.335 176.094 -0.041 0.000 1.023 638 V CA 0.173 62.446 62.300 -0.045 0.000 0.857 638 V CB 0.523 32.327 31.823 -0.033 0.000 0.985 638 V HN 0.781 nan 8.190 nan 0.000 0.443 1011 E N -0.080 120.156 120.200 0.060 0.000 2.312 1011 E HA 0.773 5.122 4.350 -0.001 0.000 0.267 1011 E C -1.581 175.048 176.600 0.048 0.000 0.894 1011 E CA -0.841 55.592 56.400 0.055 0.000 0.773 1011 E CB 1.942 31.666 29.700 0.040 0.000 1.241 1011 E HN 0.247 nan 8.360 nan 0.000 0.432 1012 R N 2.184 122.710 120.500 0.044 0.000 2.510 1012 R HA 0.220 4.560 4.340 -0.001 0.000 0.294 1012 R C -1.252 175.067 176.300 0.032 0.000 1.056 1012 R CA -0.456 55.669 56.100 0.042 0.000 0.918 1012 R CB 0.784 31.118 30.300 0.057 0.000 1.187 1012 R HN 0.638 nan 8.270 nan 0.000 0.437 1013 N N 4.450 123.165 118.700 0.025 0.000 2.447 1013 N HA -0.045 4.694 4.740 -0.001 0.000 0.263 1013 N C 1.213 176.734 175.510 0.019 0.000 1.226 1013 N CA 0.037 53.097 53.050 0.017 0.000 0.906 1013 N CB 0.643 39.135 38.487 0.008 0.000 1.060 1013 N HN 0.716 nan 8.380 nan 0.000 0.468 1014 I N 3.357 123.943 120.570 0.026 0.000 2.236 1014 I HA -0.328 3.842 4.170 -0.001 0.000 0.249 1014 I C 1.679 177.789 176.117 -0.011 0.000 1.102 1014 I CA 1.500 62.825 61.300 0.043 0.000 1.365 1014 I CB 0.037 38.088 38.000 0.085 0.000 1.051 1014 I HN 0.657 nan 8.210 nan 0.000 0.420 1015 T N -0.376 114.154 114.554 -0.040 0.000 2.896 1015 T HA -0.070 4.280 4.350 -0.001 0.000 0.263 1015 T C 1.872 176.534 174.700 -0.064 0.000 1.050 1015 T CA 1.320 63.363 62.100 -0.095 0.000 1.140 1015 T CB -0.008 68.802 68.868 -0.096 0.000 0.877 1015 T HN 0.334 nan 8.240 nan 0.000 0.457 1016 S N 1.119 116.804 115.700 -0.024 0.000 2.465 1016 S HA -0.116 4.354 4.470 -0.001 0.000 0.241 1016 S C 1.869 176.476 174.600 0.012 0.000 1.000 1016 S CA 0.992 59.191 58.200 -0.001 0.000 0.964 1016 S CB -0.140 63.067 63.200 0.012 0.000 0.763 1016 S HN 0.444 nan 8.310 nan 0.000 0.512 1017 E N 1.269 121.470 120.200 0.003 0.000 2.038 1017 E HA 0.074 4.424 4.350 -0.001 0.000 0.190 1017 E C 2.085 178.693 176.600 0.014 0.000 0.967 1017 E CA 0.712 57.125 56.400 0.021 0.000 0.816 1017 E CB -0.239 29.480 29.700 0.032 0.000 0.784 1017 E HN 0.163 nan 8.360 nan 0.000 0.456 1018 M N 0.712 120.278 119.600 -0.056 0.000 2.110 1018 M HA -0.222 4.258 4.480 -0.001 0.000 0.257 1018 M C 2.200 178.515 176.300 0.025 0.000 1.071 1018 M CA 1.814 57.060 55.300 -0.089 0.000 1.096 1018 M CB -1.368 31.030 32.600 -0.337 0.000 1.300 1018 M HN 0.134 nan 8.290 nan 0.000 0.411 1019 R N -0.077 120.416 120.500 -0.011 0.000 2.211 1019 R HA -0.167 4.173 4.340 -0.001 0.000 0.240 1019 R C 1.947 178.397 176.300 0.250 0.000 1.144 1019 R CA 1.311 57.473 56.100 0.104 0.000 0.992 1019 R CB -0.216 30.098 30.300 0.023 0.000 0.869 1019 R HN 0.626 nan 8.270 nan 0.000 0.462 1020 E N -0.669 119.626 120.200 0.159 0.000 2.152 1020 E HA 0.069 4.419 4.350 -0.001 0.000 0.195 1020 E C 1.792 178.482 176.600 0.150 0.000 0.934 1020 E CA 0.203 56.690 56.400 0.145 0.000 0.869 1020 E CB 0.153 29.910 29.700 0.095 0.000 0.842 1020 E HN 0.015 nan 8.360 nan 0.000 0.472 1021 S N 0.391 116.173 115.700 0.137 0.000 2.493 1021 S HA -0.129 4.341 4.470 -0.001 0.000 0.243 1021 S C 1.209 175.933 174.600 0.208 0.000 0.991 1021 S CA 0.940 59.224 58.200 0.140 0.000 0.957 1021 S CB -0.099 63.168 63.200 0.112 0.000 0.756 1021 S HN 0.235 nan 8.310 nan 0.000 0.521 1022 F N -0.023 119.992 119.950 0.109 0.000 2.680 1022 F HA 0.320 4.846 4.527 -0.001 0.000 0.290 1022 F C 1.413 177.333 175.800 0.199 0.000 1.114 1022 F CA -0.115 57.982 58.000 0.161 0.000 1.333 1022 F CB -0.084 38.992 39.000 0.126 0.000 1.091 1022 F HN 0.070 nan 8.300 nan 0.000 0.606 1023 L N 0.964 122.351 121.223 0.272 0.000 2.046 1023 L HA -0.165 4.175 4.340 -0.001 0.000 0.208 1023 L C 1.700 178.551 176.870 -0.031 0.000 1.077 1023 L CA 2.046 56.959 54.840 0.123 0.000 0.747 1023 L CB -1.024 41.112 42.059 0.128 0.000 0.896 1023 L HN 0.031 nan 8.230 nan 0.000 0.432 1024 D N -1.976 118.429 120.400 0.008 0.000 2.178 1024 D HA -0.235 4.405 4.640 -0.001 0.000 0.201 1024 D C 1.927 178.194 176.300 -0.055 0.000 0.980 1024 D CA 1.391 55.382 54.000 -0.016 0.000 0.842 1024 D CB -0.185 40.632 40.800 0.028 0.000 0.948 1024 D HN 0.505 nan 8.370 nan 0.000 0.472 1025 Y N 1.469 121.630 120.300 -0.231 0.000 2.153 1025 Y HA 0.053 4.603 4.550 -0.001 0.000 0.289 1025 Y C 2.339 177.986 175.900 -0.421 0.000 1.119 1025 Y CA 1.456 59.362 58.100 -0.324 0.000 1.116 1025 Y CB -0.529 37.692 38.460 -0.398 0.000 1.004 1025 Y HN -0.069 nan 8.280 nan 0.000 0.501 1026 A N 1.064 123.521 122.820 -0.605 0.000 1.929 1026 A HA -0.340 3.979 4.320 -0.001 0.000 0.221 1026 A C 2.283 179.631 177.584 -0.394 0.000 1.211 1026 A CA 2.797 54.504 52.037 -0.552 0.000 0.657 1026 A CB -0.984 17.813 19.000 -0.339 0.000 0.827 1026 A HN 0.664 nan 8.150 nan 0.000 0.462 1027 M N -1.846 117.578 119.600 -0.293 0.000 2.081 1027 M HA -0.085 4.395 4.480 -0.001 0.000 0.261 1027 M C 2.528 178.695 176.300 -0.223 0.000 1.075 1027 M CA 1.725 56.900 55.300 -0.210 0.000 1.133 1027 M CB -0.345 32.166 32.600 -0.149 0.000 1.330 1027 M HN 0.392 nan 8.290 nan 0.000 0.414 1028 S N -0.045 115.513 115.700 -0.238 0.000 2.442 1028 S HA -0.083 4.387 4.470 -0.001 0.000 0.236 1028 S C 1.749 176.198 174.600 -0.251 0.000 1.007 1028 S CA 0.744 58.828 58.200 -0.195 0.000 0.965 1028 S CB -0.167 62.946 63.200 -0.145 0.000 0.773 1028 S HN 0.212 nan 8.310 nan 0.000 0.504 1029 V N 1.209 120.872 119.914 -0.418 0.000 2.346 1029 V HA -0.054 4.066 4.120 -0.001 0.000 0.244 1029 V C 2.052 177.989 176.094 -0.261 0.000 1.037 1029 V CA 1.354 63.396 62.300 -0.430 0.000 1.029 1029 V CB -0.424 30.961 31.823 -0.729 0.000 0.663 1029 V HN 0.453 nan 8.190 nan 0.000 0.454 1030 I N 0.752 121.175 120.570 -0.245 0.000 2.208 1030 I HA -0.187 3.983 4.170 -0.001 0.000 0.245 1030 I C 1.928 177.978 176.117 -0.113 0.000 1.097 1030 I CA 2.001 63.209 61.300 -0.153 0.000 1.363 1030 I CB -0.092 37.825 38.000 -0.139 0.000 1.051 1030 I HN 0.381 nan 8.210 nan 0.000 0.413 1031 V N -3.128 116.716 119.914 -0.117 0.000 3.578 1031 V HA 0.541 4.660 4.120 -0.001 0.000 0.290 1031 V C 0.793 176.848 176.094 -0.064 0.000 1.376 1031 V CA 0.420 62.671 62.300 -0.082 0.000 1.083 1031 V CB 0.178 31.954 31.823 -0.079 0.000 0.911 1031 V HN 0.275 nan 8.190 nan 0.000 0.433 1032 A N 0.002 122.780 122.820 -0.069 0.000 2.639 1032 A HA 0.679 4.999 4.320 -0.001 0.000 0.221 1032 A C 0.777 178.343 177.584 -0.029 0.000 0.879 1032 A CA 0.391 52.408 52.037 -0.033 0.000 1.189 1032 A CB 0.355 19.341 19.000 -0.024 0.000 1.231 1032 A HN 0.397 nan 8.150 nan 0.000 0.457 1033 R N -1.704 118.765 120.500 -0.052 0.000 5.519 1033 R HA 0.371 4.710 4.340 -0.001 0.000 0.077 1033 R C 0.944 177.220 176.300 -0.041 0.000 0.759 1033 R CA 0.815 56.883 56.100 -0.053 0.000 1.051 1033 R CB -0.469 29.761 30.300 -0.116 0.000 1.313 1033 R HN 0.467 nan 8.270 nan 0.000 0.388 1034 A N 1.899 124.681 122.820 -0.063 0.000 2.370 1034 A HA 0.433 4.753 4.320 -0.001 0.000 0.238 1034 A C -0.221 177.355 177.584 -0.014 0.000 1.289 1034 A CA -0.088 51.929 52.037 -0.034 0.000 0.885 1034 A CB -0.043 18.926 19.000 -0.052 0.000 0.961 1034 A HN 0.151 nan 8.150 nan 0.000 0.499 1035 L N 1.145 122.361 121.223 -0.013 0.000 2.438 1035 L HA 0.406 4.745 4.340 -0.001 0.000 0.270 1035 L C -2.812 174.064 176.870 0.009 0.000 0.972 1035 L CA -2.007 52.830 54.840 -0.004 0.000 0.831 1035 L CB 3.125 45.169 42.059 -0.025 0.000 1.273 1035 L HN 0.016 nan 8.230 nan 0.000 0.405 1036 P HA 0.123 nan 4.420 nan 0.000 0.293 1036 P C -0.818 176.479 177.300 -0.006 0.000 1.300 1036 P CA -0.304 62.810 63.100 0.022 0.000 0.792 1036 P CB 1.504 33.219 31.700 0.025 0.000 0.925 1037 D N 2.002 122.388 120.400 -0.023 0.000 2.364 1037 D HA -0.085 4.555 4.640 -0.001 0.000 0.236 1037 D C 0.701 176.973 176.300 -0.046 0.000 1.221 1037 D CA 0.027 53.998 54.000 -0.047 0.000 0.891 1037 D CB 1.337 42.090 40.800 -0.078 0.000 1.190 1037 D HN 0.096 nan 8.370 nan 0.000 0.449 1038 V N 2.846 122.734 119.914 -0.043 0.000 3.506 1038 V HA 0.039 4.159 4.120 -0.001 0.000 0.263 1038 V C 2.037 178.122 176.094 -0.015 0.000 1.203 1038 V CA 0.844 63.140 62.300 -0.007 0.000 1.133 1038 V CB -0.178 31.674 31.823 0.047 0.000 0.802 1038 V HN 0.449 nan 8.190 nan 0.000 0.459 1039 R N 0.914 121.348 120.500 -0.111 0.000 2.062 1039 R HA 0.056 4.396 4.340 -0.001 0.000 0.218 1039 R C 1.804 177.977 176.300 -0.212 0.000 1.161 1039 R CA 1.455 57.409 56.100 -0.242 0.000 0.994 1039 R CB -0.383 29.549 30.300 -0.612 0.000 0.888 1039 R HN 0.644 nan 8.270 nan 0.000 0.442 1040 D N -0.780 119.480 120.400 -0.232 0.000 2.350 1040 D HA 0.066 4.706 4.640 -0.001 0.000 0.213 1040 D C 1.084 177.303 176.300 -0.135 0.000 1.031 1040 D CA 0.750 54.645 54.000 -0.175 0.000 0.861 1040 D CB 0.138 40.843 40.800 -0.159 0.000 0.926 1040 D HN 0.359 nan 8.370 nan 0.000 0.520 1041 G N 0.440 109.180 108.800 -0.101 0.000 2.168 1041 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.257 1041 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.257 1041 G C -0.071 174.802 174.900 -0.045 0.000 0.997 1041 G CA 0.458 45.514 45.100 -0.072 0.000 0.708 1041 G HN 0.414 nan 8.290 nan 0.000 0.520 1042 L N -0.238 120.964 121.223 -0.035 0.000 2.334 1042 L HA 0.480 4.819 4.340 -0.001 0.000 0.276 1042 L C 0.837 177.753 176.870 0.077 0.000 1.014 1042 L CA -0.991 53.863 54.840 0.023 0.000 0.815 1042 L CB 1.530 43.602 42.059 0.021 0.000 1.268 1042 L HN 0.063 nan 8.230 nan 0.000 0.428 1043 K N 2.632 123.164 120.400 0.219 0.000 2.120 1043 K HA 0.233 4.553 4.320 -0.001 0.000 0.245 1043 K C -1.754 174.905 176.600 0.099 0.000 1.024 1043 K CA -1.511 54.877 56.287 0.168 0.000 0.906 1043 K CB 0.542 33.174 32.500 0.220 0.000 1.051 1043 K HN 0.254 nan 8.250 nan 0.000 0.491 1044 P HA -0.168 nan 4.420 nan 0.000 0.212 1044 P C 1.432 178.713 177.300 -0.033 0.000 1.180 1044 P CA 0.698 63.816 63.100 0.029 0.000 0.906 1044 P CB 0.070 31.822 31.700 0.086 0.000 0.782 1045 V N -0.846 118.977 119.914 -0.151 0.000 2.736 1045 V HA -0.311 3.808 4.120 -0.001 0.000 0.262 1045 V C 1.874 177.762 176.094 -0.344 0.000 1.114 1045 V CA 2.185 64.234 62.300 -0.417 0.000 1.133 1045 V CB -1.170 30.322 31.823 -0.552 0.000 0.703 1045 V HN 0.217 nan 8.190 nan 0.000 0.495 1046 H N -1.268 117.775 119.070 -0.045 0.000 2.388 1046 H HA 0.101 4.657 4.556 -0.001 0.000 0.304 1046 H C 2.463 177.778 175.328 -0.023 0.000 1.049 1046 H CA 1.021 57.056 56.048 -0.023 0.000 1.371 1046 H CB -0.076 29.693 29.762 0.011 0.000 1.436 1046 H HN 0.219 nan 8.280 nan 0.000 0.544 1047 R N 1.062 121.616 120.500 0.090 0.000 2.096 1047 R HA -0.148 4.191 4.340 -0.001 0.000 0.240 1047 R C 2.009 178.309 176.300 0.000 0.000 1.139 1047 R CA 1.661 57.768 56.100 0.011 0.000 0.952 1047 R CB 0.023 30.289 30.300 -0.056 0.000 0.854 1047 R HN 0.212 nan 8.270 nan 0.000 0.436 1048 R N -0.421 120.069 120.500 -0.016 0.000 2.189 1048 R HA -0.004 4.336 4.340 -0.001 0.000 0.223 1048 R C 2.023 178.337 176.300 0.023 0.000 1.092 1048 R CA 1.031 57.113 56.100 -0.031 0.000 0.989 1048 R CB -0.025 30.306 30.300 0.052 0.000 0.876 1048 R HN 0.304 nan 8.270 nan 0.000 0.457 1049 I N 0.097 120.690 120.570 0.038 0.000 2.716 1049 I HA -0.137 4.033 4.170 -0.001 0.000 0.259 1049 I C 1.429 177.586 176.117 0.066 0.000 1.172 1049 I CA 0.839 62.176 61.300 0.062 0.000 1.478 1049 I CB 0.170 38.203 38.000 0.054 0.000 1.104 1049 I HN 0.139 nan 8.210 nan 0.000 0.439 1050 L N -1.066 120.199 121.223 0.071 0.000 2.554 1050 L HA -0.033 4.307 4.340 -0.001 0.000 0.225 1050 L C 2.199 179.128 176.870 0.099 0.000 1.104 1050 L CA 0.438 55.322 54.840 0.073 0.000 0.866 1050 L CB -0.379 41.720 42.059 0.067 0.000 1.047 1050 L HN 0.264 nan 8.230 nan 0.000 0.468 1051 Y N 1.011 121.270 120.300 -0.069 0.000 2.448 1051 Y HA 0.161 4.710 4.550 -0.001 0.000 0.289 1051 Y C 2.128 177.991 175.900 -0.062 0.000 1.114 1051 Y CA 0.820 58.862 58.100 -0.096 0.000 1.235 1051 Y CB -0.092 38.237 38.460 -0.219 0.000 1.045 1051 Y HN -0.016 nan 8.280 nan 0.000 0.554 1052 G N 0.626 109.363 108.800 -0.104 0.000 2.408 1052 G HA2 -0.108 3.851 3.960 -0.001 0.000 0.215 1052 G HA3 -0.108 3.851 3.960 -0.001 0.000 0.215 1052 G C 1.557 176.444 174.900 -0.022 0.000 1.156 1052 G CA 0.845 45.901 45.100 -0.073 0.000 0.793 1052 G HN 0.412 nan 8.290 nan 0.000 0.535 1053 L N 0.437 121.668 121.223 0.015 0.000 2.046 1053 L HA -0.114 4.226 4.340 -0.001 0.000 0.208 1053 L C 2.632 179.505 176.870 0.004 0.000 1.077 1053 L CA 1.195 56.052 54.840 0.029 0.000 0.747 1053 L CB -0.693 41.395 42.059 0.049 0.000 0.896 1053 L HN 0.281 nan 8.230 nan 0.000 0.432 1054 N N 0.237 118.930 118.700 -0.011 0.000 2.006 1054 N HA -0.226 4.514 4.740 -0.001 0.000 0.196 1054 N C 1.799 177.272 175.510 -0.063 0.000 1.057 1054 N CA 1.698 54.740 53.050 -0.013 0.000 0.853 1054 N CB 0.105 38.609 38.487 0.029 0.000 1.051 1054 N HN 0.323 nan 8.380 nan 0.000 0.423 1055 E N 0.548 120.636 120.200 -0.185 0.000 2.031 1055 E HA -0.157 4.193 4.350 -0.001 0.000 0.193 1055 E C 1.798 178.353 176.600 -0.075 0.000 0.994 1055 E CA 0.879 57.170 56.400 -0.181 0.000 0.800 1055 E CB -0.390 29.102 29.700 -0.346 0.000 0.752 1055 E HN 0.423 nan 8.360 nan 0.000 0.447 1056 Q N -0.143 119.627 119.800 -0.050 0.000 2.561 1056 Q HA -0.037 4.303 4.340 -0.001 0.000 0.217 1056 Q C 0.873 176.873 176.000 -0.000 0.000 0.980 1056 Q CA 0.760 56.558 55.803 -0.009 0.000 0.927 1056 Q CB -0.525 28.222 28.738 0.015 0.000 0.980 1056 Q HN 0.496 nan 8.270 nan 0.000 0.525 1057 G N 1.234 110.029 108.800 -0.007 0.000 2.296 1057 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.282 1057 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.282 1057 G C 0.209 175.116 174.900 0.013 0.000 1.014 1057 G CA 0.717 45.819 45.100 0.003 0.000 0.812 1057 G HN 0.397 nan 8.290 nan 0.000 0.508 1058 M N 2.229 121.842 119.600 0.022 0.000 3.705 1058 M HA 0.205 4.685 4.480 -0.001 0.000 0.191 1058 M C 1.382 177.700 176.300 0.030 0.000 1.570 1058 M CA 0.794 56.114 55.300 0.033 0.000 1.714 1058 M CB -0.448 32.187 32.600 0.059 0.000 1.148 1058 M HN 0.387 nan 8.290 nan 0.000 0.547 1059 T N -2.512 112.052 114.554 0.017 0.000 2.899 1059 T HA 0.264 4.614 4.350 -0.001 0.000 0.295 1059 T C -1.783 172.916 174.700 -0.000 0.000 1.033 1059 T CA -1.651 60.459 62.100 0.016 0.000 1.084 1059 T CB 0.980 69.858 68.868 0.016 0.000 0.979 1059 T HN 0.147 nan 8.240 nan 0.000 0.532 1060 P HA -0.139 nan 4.420 nan 0.000 0.217 1060 P C 1.271 178.542 177.300 -0.049 0.000 1.148 1060 P CA 1.232 64.322 63.100 -0.017 0.000 0.828 1060 P CB -0.032 31.675 31.700 0.012 0.000 0.783 1061 D N -1.478 118.904 120.400 -0.031 0.000 2.312 1061 D HA -0.051 4.589 4.640 -0.001 0.000 0.211 1061 D C 1.097 177.363 176.300 -0.057 0.000 0.964 1061 D CA 0.917 54.893 54.000 -0.041 0.000 0.877 1061 D CB -0.578 40.209 40.800 -0.021 0.000 0.924 1061 D HN 0.114 nan 8.370 nan 0.000 0.515 1062 K N 1.098 121.465 120.400 -0.055 0.000 2.952 1062 K HA 0.457 4.777 4.320 -0.001 0.000 0.323 1062 K C 0.696 177.233 176.600 -0.106 0.000 1.003 1062 K CA 0.075 56.328 56.287 -0.057 0.000 1.156 1062 K CB -0.537 31.947 32.500 -0.027 0.000 1.339 1062 K HN 0.302 nan 8.250 nan 0.000 0.516 1063 S N -0.897 114.757 115.700 -0.077 0.000 2.513 1063 S HA 0.571 5.040 4.470 -0.001 0.000 0.299 1063 S C -0.778 173.812 174.600 -0.016 0.000 1.087 1063 S CA -0.799 57.342 58.200 -0.099 0.000 1.012 1063 S CB 0.658 63.835 63.200 -0.038 0.000 1.044 1063 S HN 0.361 nan 8.310 nan 0.000 0.485 1064 Y N 1.503 121.816 120.300 0.021 0.000 2.811 1064 Y HA 0.325 4.875 4.550 -0.001 0.000 0.334 1064 Y C 1.189 177.111 175.900 0.036 0.000 1.247 1064 Y CA 0.438 58.556 58.100 0.030 0.000 1.526 1064 Y CB -0.209 38.270 38.460 0.032 0.000 1.284 1064 Y HN 0.929 nan 8.280 nan 0.000 0.586 1065 K N 1.910 122.437 120.400 0.213 0.000 2.118 1065 K HA 0.788 5.107 4.320 -0.001 0.000 0.254 1065 K C 0.188 176.860 176.600 0.121 0.000 0.961 1065 K CA -0.512 55.853 56.287 0.131 0.000 0.876 1065 K CB 0.151 32.708 32.500 0.095 0.000 1.077 1065 K HN 0.798 nan 8.250 nan 0.000 0.440 1066 K N 0.542 120.989 120.400 0.078 0.000 2.380 1066 K HA 0.235 4.554 4.320 -0.001 0.000 0.267 1066 K C 1.385 178.007 176.600 0.036 0.000 0.990 1066 K CA 0.580 56.896 56.287 0.048 0.000 0.946 1066 K CB 0.104 32.609 32.500 0.009 0.000 0.937 1066 K HN 0.693 nan 8.250 nan 0.000 0.491 1067 S N 0.808 116.515 115.700 0.011 0.000 2.345 1067 S HA -0.044 4.425 4.470 -0.001 0.000 0.220 1067 S C 2.334 176.896 174.600 -0.063 0.000 1.031 1067 S CA 1.283 59.489 58.200 0.009 0.000 0.996 1067 S CB -0.348 62.838 63.200 -0.024 0.000 0.882 1067 S HN 0.991 nan 8.310 nan 0.000 0.445 1068 A N 1.189 123.908 122.820 -0.168 0.000 2.285 1068 A HA -0.031 4.289 4.320 -0.001 0.000 0.214 1068 A C 2.069 179.612 177.584 -0.068 0.000 1.188 1068 A CA 1.731 53.676 52.037 -0.153 0.000 0.707 1068 A CB -0.789 18.090 19.000 -0.202 0.000 0.771 1068 A HN 0.500 nan 8.150 nan 0.000 0.488 1069 R N -0.101 120.380 120.500 -0.032 0.000 2.146 1069 R HA 0.327 4.667 4.340 -0.001 0.000 0.206 1069 R C 1.854 178.167 176.300 0.022 0.000 1.049 1069 R CA 1.032 57.130 56.100 -0.005 0.000 1.029 1069 R CB -0.965 29.339 30.300 0.006 0.000 0.949 1069 R HN 0.643 nan 8.270 nan 0.000 0.471 1070 I N 0.387 120.982 120.570 0.042 0.000 2.333 1070 I HA -0.095 4.075 4.170 -0.001 0.000 0.246 1070 I C 2.182 178.348 176.117 0.082 0.000 1.106 1070 I CA 0.829 62.172 61.300 0.072 0.000 1.411 1070 I CB -0.373 37.683 38.000 0.093 0.000 1.082 1070 I HN 0.030 nan 8.210 nan 0.000 0.420 1071 V N 1.940 121.893 119.914 0.066 0.000 2.407 1071 V HA -0.197 3.923 4.120 -0.001 0.000 0.248 1071 V C 2.729 178.853 176.094 0.050 0.000 1.055 1071 V CA 2.203 64.544 62.300 0.068 0.000 1.049 1071 V CB -1.478 30.368 31.823 0.038 0.000 0.662 1071 V HN 0.592 nan 8.190 nan 0.000 0.455 1072 G N -0.129 108.684 108.800 0.020 0.000 2.440 1072 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.218 1072 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.218 1072 G C 1.330 176.241 174.900 0.018 0.000 1.154 1072 G CA 1.282 46.387 45.100 0.009 0.000 0.767 1072 G HN 0.596 nan 8.290 nan 0.000 0.552 1073 D N -0.539 119.883 120.400 0.036 0.000 2.123 1073 D HA -0.047 4.592 4.640 -0.001 0.000 0.200 1073 D C 2.498 178.824 176.300 0.044 0.000 0.976 1073 D CA 0.762 54.782 54.000 0.034 0.000 0.831 1073 D CB -0.060 40.781 40.800 0.067 0.000 0.974 1073 D HN 0.153 nan 8.370 nan 0.000 0.469 1074 V N 0.264 120.264 119.914 0.144 0.000 2.535 1074 V HA -0.058 4.062 4.120 -0.001 0.000 0.246 1074 V C 2.469 178.702 176.094 0.232 0.000 1.045 1074 V CA 1.349 63.830 62.300 0.301 0.000 1.058 1074 V CB -0.338 31.648 31.823 0.271 0.000 0.689 1074 V HN 0.299 nan 8.190 nan 0.000 0.461 1075 M N 0.117 119.805 119.600 0.147 0.000 2.086 1075 M HA -0.080 4.399 4.480 -0.001 0.000 0.261 1075 M C 2.078 178.423 176.300 0.074 0.000 1.067 1075 M CA 2.273 57.648 55.300 0.126 0.000 1.116 1075 M CB -0.654 31.994 32.600 0.080 0.000 1.348 1075 M HN 0.412 nan 8.290 nan 0.000 0.407 1076 G N 0.596 109.409 108.800 0.021 0.000 2.587 1076 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.217 1076 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.217 1076 G C 1.457 176.344 174.900 -0.020 0.000 1.240 1076 G CA 1.319 46.417 45.100 -0.004 0.000 0.794 1076 G HN 0.464 nan 8.290 nan 0.000 0.580 1077 K N -0.966 119.243 120.400 -0.318 0.000 2.217 1077 K HA 0.061 4.381 4.320 -0.001 0.000 0.202 1077 K C 1.768 178.058 176.600 -0.517 0.000 1.051 1077 K CA 1.175 57.044 56.287 -0.696 0.000 0.952 1077 K CB 0.021 31.669 32.500 -1.421 0.000 0.736 1077 K HN 0.605 nan 8.250 nan 0.000 0.453 1078 Y N -2.980 117.485 120.300 0.275 0.000 2.524 1078 Y HA 0.213 4.762 4.550 -0.001 0.000 0.276 1078 Y C 0.232 176.355 175.900 0.372 0.000 1.155 1078 Y CA -0.559 57.717 58.100 0.292 0.000 1.165 1078 Y CB 0.466 39.074 38.460 0.247 0.000 1.306 1078 Y HN -0.055 nan 8.280 nan 0.000 0.522 1079 H N 2.186 121.437 119.070 0.301 0.000 2.716 1079 H HA 0.397 4.953 4.556 -0.001 0.000 0.260 1079 H C -2.720 172.521 175.328 -0.144 0.000 1.280 1079 H CA -2.581 53.532 56.048 0.108 0.000 1.506 1079 H CB 1.258 31.138 29.762 0.198 0.000 1.514 1079 H HN -0.170 nan 8.280 nan 0.000 0.502 1080 P HA -0.010 nan 4.420 nan 0.000 0.285 1080 P C -0.339 176.599 177.300 -0.603 0.000 1.521 1080 P CA 0.612 63.292 63.100 -0.699 0.000 0.792 1080 P CB -0.195 30.907 31.700 -0.997 0.000 1.613 1081 H N -1.009 117.995 119.070 -0.110 0.000 2.858 1081 H HA 0.473 5.029 4.556 -0.001 0.000 0.318 1081 H C 1.100 176.456 175.328 0.046 0.000 1.419 1081 H CA -0.839 55.183 56.048 -0.043 0.000 1.373 1081 H CB 0.211 29.949 29.762 -0.040 0.000 1.915 1081 H HN -0.052 nan 8.280 nan 0.000 0.704 1082 G N -0.074 108.850 108.800 0.205 0.000 2.484 1082 G HA2 -0.059 3.901 3.960 -0.001 0.000 0.235 1082 G HA3 -0.059 3.901 3.960 -0.001 0.000 0.235 1082 G C 0.065 175.039 174.900 0.123 0.000 1.282 1082 G CA -0.050 45.123 45.100 0.121 0.000 0.857 1082 G HN 0.536 nan 8.290 nan 0.000 0.571 1083 D N 0.721 121.170 120.400 0.081 0.000 2.087 1083 D HA -0.195 4.445 4.640 -0.001 0.000 0.192 1083 D C 2.788 179.148 176.300 0.100 0.000 0.993 1083 D CA 2.141 56.185 54.000 0.074 0.000 0.828 1083 D CB -0.210 40.608 40.800 0.029 0.000 0.968 1083 D HN 0.449 nan 8.370 nan 0.000 0.448 1084 S N 0.398 116.151 115.700 0.089 0.000 2.381 1084 S HA -0.285 4.185 4.470 -0.001 0.000 0.230 1084 S C 2.088 176.742 174.600 0.090 0.000 1.052 1084 S CA 1.620 59.880 58.200 0.100 0.000 1.068 1084 S CB -0.859 62.384 63.200 0.072 0.000 0.918 1084 S HN 0.124 nan 8.310 nan 0.000 0.448 1085 S N 1.456 117.205 115.700 0.082 0.000 2.419 1085 S HA 0.104 4.574 4.470 -0.001 0.000 0.233 1085 S C 1.714 176.328 174.600 0.024 0.000 1.016 1085 S CA 1.282 59.516 58.200 0.057 0.000 0.974 1085 S CB -0.431 62.825 63.200 0.092 0.000 0.786 1085 S HN 0.542 nan 8.310 nan 0.000 0.492 1086 I N -0.970 119.635 120.570 0.060 0.000 2.731 1086 I HA -0.010 4.159 4.170 -0.001 0.000 0.260 1086 I C 2.136 178.298 176.117 0.075 0.000 1.138 1086 I CA 0.687 62.002 61.300 0.025 0.000 1.461 1086 I CB -0.332 37.706 38.000 0.064 0.000 1.128 1086 I HN 0.240 nan 8.210 nan 0.000 0.438 1087 Y N 2.512 122.800 120.300 -0.020 0.000 2.092 1087 Y HA -0.193 4.356 4.550 -0.001 0.000 0.282 1087 Y C 2.327 178.198 175.900 -0.048 0.000 1.126 1087 Y CA 1.547 59.626 58.100 -0.036 0.000 1.111 1087 Y CB -0.501 37.930 38.460 -0.048 0.000 0.987 1087 Y HN 0.098 nan 8.280 nan 0.000 0.489 1088 E N 0.070 120.139 120.200 -0.218 0.000 2.273 1088 E HA -0.225 4.124 4.350 -0.001 0.000 0.198 1088 E C 2.193 178.685 176.600 -0.180 0.000 1.002 1088 E CA 0.962 57.186 56.400 -0.292 0.000 0.828 1088 E CB -0.275 29.360 29.700 -0.108 0.000 0.747 1088 E HN 0.575 nan 8.360 nan 0.000 0.491 1089 A N 1.130 123.891 122.820 -0.099 0.000 1.897 1089 A HA -0.098 4.222 4.320 -0.001 0.000 0.215 1089 A C 2.083 179.664 177.584 -0.006 0.000 1.181 1089 A CA 1.109 53.123 52.037 -0.038 0.000 0.620 1089 A CB -0.342 18.595 19.000 -0.106 0.000 0.821 1089 A HN 0.281 nan 8.150 nan 0.000 0.443 1090 M N -0.306 119.268 119.600 -0.044 0.000 2.492 1090 M HA -0.011 4.469 4.480 -0.001 0.000 0.262 1090 M C 1.440 177.707 176.300 -0.055 0.000 1.090 1090 M CA 1.094 56.389 55.300 -0.009 0.000 1.110 1090 M CB -0.090 32.544 32.600 0.056 0.000 1.407 1090 M HN 0.150 nan 8.290 nan 0.000 0.470 1091 V N 0.921 120.707 119.914 -0.214 0.000 2.358 1091 V HA -0.238 3.882 4.120 -0.001 0.000 0.246 1091 V C 2.444 178.480 176.094 -0.096 0.000 1.047 1091 V CA 1.820 63.949 62.300 -0.285 0.000 1.035 1091 V CB -0.736 30.706 31.823 -0.636 0.000 0.658 1091 V HN 0.534 nan 8.190 nan 0.000 0.452 1092 R N -0.575 119.879 120.500 -0.077 0.000 2.080 1092 R HA -0.153 4.186 4.340 -0.001 0.000 0.236 1092 R C 2.299 178.547 176.300 -0.086 0.000 1.137 1092 R CA 1.858 57.958 56.100 -0.000 0.000 0.943 1092 R CB -0.344 30.042 30.300 0.144 0.000 0.846 1092 R HN 0.401 nan 8.270 nan 0.000 0.431 1093 M N -0.438 118.994 119.600 -0.281 0.000 2.617 1093 M HA -0.158 4.322 4.480 -0.001 0.000 0.258 1093 M C 1.478 177.547 176.300 -0.385 0.000 1.067 1093 M CA 1.192 56.056 55.300 -0.728 0.000 1.057 1093 M CB 0.036 32.356 32.600 -0.467 0.000 1.397 1093 M HN 0.227 nan 8.290 nan 0.000 0.499 1094 A N -0.800 121.939 122.820 -0.135 0.000 2.431 1094 A HA 0.188 4.508 4.320 -0.001 0.000 0.239 1094 A C 0.413 177.985 177.584 -0.020 0.000 1.230 1094 A CA -0.224 51.804 52.037 -0.015 0.000 0.928 1094 A CB 0.287 19.436 19.000 0.247 0.000 1.006 1094 A HN 0.391 nan 8.150 nan 0.000 0.520 1095 Q N 0.877 120.608 119.800 -0.115 0.000 2.347 1095 Q HA 0.223 4.562 4.340 -0.001 0.000 0.262 1095 Q C -0.048 175.811 176.000 -0.236 0.000 0.980 1095 Q CA -0.483 55.153 55.803 -0.279 0.000 0.867 1095 Q CB 1.414 29.644 28.738 -0.848 0.000 1.242 1095 Q HN 0.508 nan 8.270 nan 0.000 0.453 1096 D N 2.401 122.779 120.400 -0.036 0.000 2.315 1096 D HA -0.234 4.406 4.640 -0.001 0.000 0.211 1096 D C 0.979 177.344 176.300 0.107 0.000 0.977 1096 D CA 1.386 55.418 54.000 0.055 0.000 0.894 1096 D CB -0.195 40.676 40.800 0.117 0.000 0.910 1096 D HN 0.615 nan 8.370 nan 0.000 0.490 1097 F N -1.074 118.929 119.950 0.089 0.000 2.500 1097 F HA 0.408 4.935 4.527 -0.001 0.000 0.285 1097 F C 2.280 178.189 175.800 0.181 0.000 1.088 1097 F CA -0.281 57.784 58.000 0.107 0.000 1.432 1097 F CB -0.458 38.593 39.000 0.085 0.000 1.131 1097 F HN -0.154 nan 8.300 nan 0.000 0.582 1098 S N -0.366 115.054 115.700 -0.466 0.000 2.349 1098 S HA -0.081 4.389 4.470 -0.001 0.000 0.216 1098 S C 0.055 174.696 174.600 0.069 0.000 1.033 1098 S CA 0.902 59.060 58.200 -0.069 0.000 1.021 1098 S CB -0.502 62.601 63.200 -0.162 0.000 0.968 1098 S HN 0.267 nan 8.310 nan 0.000 0.426 1099 Y N 1.144 121.366 120.300 -0.131 0.000 2.319 1099 Y HA 0.319 4.869 4.550 -0.001 0.000 0.328 1099 Y C 1.128 176.912 175.900 -0.193 0.000 1.133 1099 Y CA -0.408 57.619 58.100 -0.123 0.000 1.265 1099 Y CB 0.718 39.119 38.460 -0.098 0.000 1.218 1099 Y HN 0.011 nan 8.280 nan 0.000 0.508 1100 R N 1.631 121.997 120.500 -0.223 0.000 2.090 1100 R HA -0.040 4.299 4.340 -0.001 0.000 0.228 1100 R C -0.998 174.845 176.300 -0.762 0.000 1.110 1100 R CA 1.534 57.300 56.100 -0.556 0.000 0.973 1100 R CB -0.135 29.703 30.300 -0.770 0.000 0.869 1100 R HN 0.634 nan 8.270 nan 0.000 0.440 1101 Y N 0.178 120.513 120.300 0.058 0.000 2.681 1101 Y HA 0.403 4.953 4.550 -0.001 0.000 0.347 1101 Y C -2.297 173.625 175.900 0.037 0.000 1.029 1101 Y CA -3.780 54.322 58.100 0.004 0.000 1.279 1101 Y CB 1.152 39.572 38.460 -0.067 0.000 1.096 1101 Y HN -0.000 nan 8.280 nan 0.000 0.580 1102 P HA 0.066 nan 4.420 nan 0.000 0.262 1102 P C 0.412 177.677 177.300 -0.058 0.000 1.199 1102 P CA 0.362 63.457 63.100 -0.010 0.000 0.763 1102 P CB 0.740 32.427 31.700 -0.022 0.000 0.790 1103 L N 2.688 123.826 121.223 -0.142 0.000 2.627 1103 L HA 0.197 4.537 4.340 -0.001 0.000 0.232 1103 L C 0.261 177.088 176.870 -0.072 0.000 1.150 1103 L CA -0.010 54.778 54.840 -0.087 0.000 0.917 1103 L CB -0.113 41.900 42.059 -0.077 0.000 1.104 1103 L HN 0.117 nan 8.230 nan 0.000 0.445 1104 V N -1.472 118.396 119.914 -0.077 0.000 2.888 1104 V HA 0.280 4.399 4.120 -0.001 0.000 0.309 1104 V C -0.987 175.092 176.094 -0.025 0.000 1.114 1104 V CA -0.790 61.493 62.300 -0.028 0.000 0.940 1104 V CB 3.058 34.870 31.823 -0.017 0.000 1.021 1104 V HN -0.076 nan 8.190 nan 0.000 0.426 1105 D N 2.814 123.230 120.400 0.027 0.000 2.428 1105 D HA 0.400 5.039 4.640 -0.001 0.000 0.221 1105 D C 0.297 176.521 176.300 -0.128 0.000 1.123 1105 D CA 0.098 54.132 54.000 0.056 0.000 0.869 1105 D CB 1.644 42.603 40.800 0.267 0.000 1.032 1105 D HN 0.781 nan 8.370 nan 0.000 0.506 1106 G N 2.705 111.253 108.800 -0.419 0.000 2.370 1106 G HA2 0.344 4.304 3.960 -0.001 0.000 0.272 1106 G HA3 0.344 4.304 3.960 -0.001 0.000 0.272 1106 G C -0.279 174.044 174.900 -0.961 0.000 1.208 1106 G CA -0.380 44.063 45.100 -1.095 0.000 0.856 1106 G HN 0.445 nan 8.290 nan 0.000 0.500 1107 Q N 1.792 120.966 119.800 -1.043 0.000 2.325 1107 Q HA 0.616 4.955 4.340 -0.001 0.000 0.270 1107 Q C 0.045 175.880 176.000 -0.275 0.000 1.020 1107 Q CA 0.314 55.663 55.803 -0.757 0.000 0.785 1107 Q CB 1.523 29.451 28.738 -1.348 0.000 1.259 1107 Q HN 1.555 nan 8.270 nan 0.000 0.452 1108 G N 2.768 111.522 108.800 -0.078 0.000 2.479 1108 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.686 1108 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.686 1108 G C -1.297 173.790 174.900 0.313 0.000 1.295 1108 G CA -0.687 44.506 45.100 0.155 0.000 0.922 1108 G HN 0.844 nan 8.290 nan 0.000 0.582 1109 N N -0.474 118.394 118.700 0.279 0.000 2.440 1109 N HA 0.428 5.168 4.740 -0.001 0.000 0.265 1109 N C -0.290 175.465 175.510 0.409 0.000 1.239 1109 N CA 0.085 53.298 53.050 0.271 0.000 0.909 1109 N CB -0.118 38.456 38.487 0.145 0.000 1.066 1109 N HN 0.448 nan 8.380 nan 0.000 0.474 1110 F N 3.042 123.032 119.950 0.067 0.000 2.761 1110 F HA 0.428 4.955 4.527 -0.001 0.000 0.367 1110 F C 1.188 177.054 175.800 0.109 0.000 1.386 1110 F CA 0.319 58.359 58.000 0.066 0.000 1.177 1110 F CB 0.318 39.339 39.000 0.035 0.000 1.092 1110 F HN 0.759 nan 8.300 nan 0.000 0.517 1111 G N 0.962 109.878 108.800 0.194 0.000 2.481 1111 G HA2 0.169 4.129 3.960 -0.001 0.000 0.230 1111 G HA3 0.169 4.129 3.960 -0.001 0.000 0.230 1111 G C -0.257 174.739 174.900 0.160 0.000 1.210 1111 G CA -0.124 45.083 45.100 0.178 0.000 0.936 1111 G HN 1.351 nan 8.290 nan 0.000 0.583 1112 S N -3.066 112.716 115.700 0.136 0.000 2.707 1112 S HA 0.418 4.888 4.470 -0.001 0.000 0.268 1112 S C 0.660 175.027 174.600 -0.389 0.000 1.004 1112 S CA 0.528 58.659 58.200 -0.114 0.000 0.902 1112 S CB 0.123 63.279 63.200 -0.074 0.000 1.157 1112 S HN 1.256 nan 8.310 nan 0.000 0.468 1113 M N 0.971 120.214 119.600 -0.595 0.000 2.476 1113 M HA 0.005 4.485 4.480 -0.001 0.000 0.262 1113 M C 0.280 176.432 176.300 -0.246 0.000 1.079 1113 M CA 1.045 55.998 55.300 -0.579 0.000 1.104 1113 M CB -0.689 31.614 32.600 -0.495 0.000 1.409 1113 M HN 0.599 nan 8.290 nan 0.000 0.467 1114 D N 0.138 120.440 120.400 -0.163 0.000 2.352 1114 D HA 0.075 4.715 4.640 -0.001 0.000 0.232 1114 D C 1.472 177.740 176.300 -0.053 0.000 1.055 1114 D CA 0.850 54.796 54.000 -0.091 0.000 0.891 1114 D CB 0.094 40.853 40.800 -0.068 0.000 0.897 1114 D HN 0.547 nan 8.370 nan 0.000 0.529 1115 G N 1.021 109.799 108.800 -0.038 0.000 2.175 1115 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.244 1115 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.244 1115 G C 0.015 174.928 174.900 0.022 0.000 0.982 1115 G CA -0.217 44.886 45.100 0.005 0.000 0.641 1115 G HN 0.246 nan 8.290 nan 0.000 0.527 1116 D N 1.030 121.439 120.400 0.014 0.000 2.449 1116 D HA 0.439 5.078 4.640 -0.001 0.000 0.236 1116 D C 0.979 177.310 176.300 0.052 0.000 1.149 1116 D CA 1.314 55.330 54.000 0.027 0.000 0.878 1116 D CB 0.935 41.746 40.800 0.019 0.000 1.198 1116 D HN 0.525 nan 8.370 nan 0.000 0.446 1117 G N -0.623 108.201 108.800 0.039 0.000 2.417 1117 G HA2 0.530 4.489 3.960 -0.001 0.000 0.334 1117 G HA3 0.530 4.489 3.960 -0.001 0.000 0.334 1117 G C -0.337 174.572 174.900 0.015 0.000 1.150 1117 G CA -0.562 44.553 45.100 0.025 0.000 0.923 1117 G HN 0.563 nan 8.290 nan 0.000 0.485 1118 A N 0.582 123.366 122.820 -0.059 0.000 2.561 1118 A HA 0.534 4.854 4.320 -0.001 0.000 0.234 1118 A C 1.283 178.881 177.584 0.024 0.000 1.055 1118 A CA 0.515 52.478 52.037 -0.122 0.000 0.756 1118 A CB -0.244 18.446 19.000 -0.517 0.000 0.986 1118 A HN 2.058 nan 8.150 nan 0.000 0.505 1119 A N 1.852 124.724 122.820 0.087 0.000 2.567 1119 A HA 0.456 4.776 4.320 -0.001 0.000 0.236 1119 A C 1.125 178.879 177.584 0.283 0.000 1.088 1119 A CA 0.308 52.458 52.037 0.188 0.000 0.776 1119 A CB -0.505 18.617 19.000 0.202 0.000 1.033 1119 A HN 2.415 nan 8.150 nan 0.000 0.513 1120 A N 1.184 124.217 122.820 0.354 0.000 2.507 1120 A HA 0.350 4.670 4.320 -0.001 0.000 0.235 1120 A C 1.422 178.855 177.584 -0.251 0.000 1.070 1120 A CA 0.488 52.598 52.037 0.121 0.000 0.768 1120 A CB -0.385 18.654 19.000 0.065 0.000 1.011 1120 A HN 1.578 nan 8.150 nan 0.000 0.502 1121 M N 1.461 120.589 119.600 -0.786 0.000 2.346 1121 M HA -0.156 4.324 4.480 -0.001 0.000 0.263 1121 M C 1.683 177.597 176.300 -0.644 0.000 1.064 1121 M CA 2.269 56.761 55.300 -1.346 0.000 1.083 1121 M CB -0.387 31.343 32.600 -1.450 0.000 1.399 1121 M HN 0.800 nan 8.290 nan 0.000 0.435 1122 R N 0.853 120.976 120.500 -0.629 0.000 2.235 1122 R HA -0.030 4.309 4.340 -0.001 0.000 0.213 1122 R C 0.409 176.392 176.300 -0.527 0.000 1.059 1122 R CA 1.045 56.775 56.100 -0.617 0.000 0.997 1122 R CB -0.353 29.487 30.300 -0.767 0.000 0.884 1122 R HN 0.561 nan 8.270 nan 0.000 0.462 1123 F N 1.128 121.033 119.950 -0.075 0.000 2.639 1123 F HA 0.236 4.763 4.527 -0.001 0.000 0.302 1123 F C 0.314 176.138 175.800 0.040 0.000 1.097 1123 F CA -0.484 57.510 58.000 -0.009 0.000 1.294 1123 F CB 0.913 39.916 39.000 0.004 0.000 1.027 1123 F HN -0.018 nan 8.300 nan 0.000 0.550 1124 T N -2.968 111.684 114.554 0.163 0.000 2.865 1124 T HA 0.659 5.009 4.350 -0.001 0.000 0.294 1124 T C -0.822 173.995 174.700 0.195 0.000 1.119 1124 T CA -0.865 61.390 62.100 0.259 0.000 1.007 1124 T CB 2.810 71.925 68.868 0.411 0.000 1.225 1124 T HN 0.031 nan 8.240 nan 0.000 0.515 1125 E N -0.599 119.707 120.200 0.175 0.000 2.343 1125 E HA 0.710 5.060 4.350 -0.001 0.000 0.270 1125 E C -0.872 175.717 176.600 -0.019 0.000 0.895 1125 E CA -1.325 55.107 56.400 0.054 0.000 0.767 1125 E CB 2.465 32.141 29.700 -0.041 0.000 1.248 1125 E HN 0.977 nan 8.360 nan 0.000 0.440 1126 A N 1.900 124.778 122.820 0.096 0.000 2.524 1126 A HA 0.954 5.274 4.320 -0.001 0.000 0.286 1126 A C -1.258 176.478 177.584 0.253 0.000 1.203 1126 A CA -0.764 51.339 52.037 0.110 0.000 0.736 1126 A CB 1.651 20.770 19.000 0.200 0.000 1.322 1126 A HN 0.734 nan 8.150 nan 0.000 0.424 1127 R N -0.507 120.133 120.500 0.234 0.000 2.824 1127 R HA 0.463 4.802 4.340 -0.001 0.000 0.267 1127 R C -0.763 175.608 176.300 0.118 0.000 1.035 1127 R CA -0.762 55.449 56.100 0.186 0.000 0.887 1127 R CB 0.172 30.597 30.300 0.208 0.000 1.262 1127 R HN 0.692 nan 8.270 nan 0.000 0.487 1128 M N 1.563 121.208 119.600 0.075 0.000 2.138 1128 M HA -0.062 4.418 4.480 -0.001 0.000 0.301 1128 M C 0.207 176.532 176.300 0.042 0.000 0.929 1128 M CA 1.773 57.104 55.300 0.050 0.000 0.994 1128 M CB 0.118 32.743 32.600 0.043 0.000 1.379 1128 M HN 0.913 nan 8.290 nan 0.000 0.416 1129 T N -1.660 112.905 114.554 0.019 0.000 2.924 1129 T HA 0.401 4.751 4.350 -0.001 0.000 0.291 1129 T C 0.577 175.276 174.700 -0.002 0.000 1.045 1129 T CA -1.148 60.956 62.100 0.006 0.000 1.015 1129 T CB 1.713 70.566 68.868 -0.025 0.000 1.103 1129 T HN 0.667 nan 8.240 nan 0.000 0.496 1130 K N 0.615 121.039 120.400 0.040 0.000 2.113 1130 K HA -0.091 4.229 4.320 -0.001 0.000 0.208 1130 K C 1.844 178.457 176.600 0.021 0.000 1.047 1130 K CA 1.564 57.932 56.287 0.136 0.000 0.928 1130 K CB -0.450 32.244 32.500 0.322 0.000 0.716 1130 K HN 0.675 nan 8.250 nan 0.000 0.446 1131 I N 1.042 121.367 120.570 -0.407 0.000 3.111 1131 I HA -0.158 4.012 4.170 -0.001 0.000 0.272 1131 I C 1.356 177.262 176.117 -0.352 0.000 1.268 1131 I CA 1.032 61.790 61.300 -0.903 0.000 1.467 1131 I CB 0.098 37.361 38.000 -1.228 0.000 1.087 1131 I HN 0.031 nan 8.210 nan 0.000 0.467 1132 T N 1.424 115.909 114.554 -0.114 0.000 2.978 1132 T HA 0.026 4.375 4.350 -0.001 0.000 0.262 1132 T C 1.785 176.539 174.700 0.089 0.000 1.063 1132 T CA 0.997 63.119 62.100 0.036 0.000 1.140 1132 T CB -0.126 68.760 68.868 0.030 0.000 0.886 1132 T HN 0.313 nan 8.240 nan 0.000 0.470 1133 L N 1.261 122.523 121.223 0.066 0.000 2.043 1133 L HA -0.130 4.210 4.340 -0.001 0.000 0.212 1133 L C 2.604 179.553 176.870 0.133 0.000 1.075 1133 L CA 1.171 56.068 54.840 0.095 0.000 0.752 1133 L CB -0.736 41.380 42.059 0.095 0.000 0.891 1133 L HN 0.159 nan 8.230 nan 0.000 0.432 1134 E N 0.304 120.598 120.200 0.156 0.000 2.333 1134 E HA -0.151 4.199 4.350 -0.001 0.000 0.198 1134 E C 2.293 179.094 176.600 0.335 0.000 1.007 1134 E CA 0.850 57.398 56.400 0.246 0.000 0.845 1134 E CB -0.227 29.613 29.700 0.234 0.000 0.766 1134 E HN 0.552 nan 8.360 nan 0.000 0.507 1135 L N -0.233 121.181 121.223 0.317 0.000 2.179 1135 L HA -0.064 4.276 4.340 -0.001 0.000 0.208 1135 L C 1.383 178.318 176.870 0.109 0.000 1.096 1135 L CA 0.825 55.777 54.840 0.187 0.000 0.779 1135 L CB 0.065 42.229 42.059 0.176 0.000 0.922 1135 L HN 0.138 nan 8.230 nan 0.000 0.443 1136 L N -2.152 119.143 121.223 0.119 0.000 3.016 1136 L HA 0.265 4.605 4.340 -0.001 0.000 0.267 1136 L C 0.829 177.757 176.870 0.096 0.000 1.182 1136 L CA -0.073 54.827 54.840 0.100 0.000 0.997 1136 L CB -0.052 42.072 42.059 0.108 0.000 1.354 1136 L HN -0.095 nan 8.230 nan 0.000 0.569 1137 R N 1.441 122.002 120.500 0.102 0.000 2.590 1137 R HA 0.057 4.396 4.340 -0.001 0.000 0.274 1137 R C -0.054 176.284 176.300 0.063 0.000 1.061 1137 R CA 0.396 56.548 56.100 0.085 0.000 1.081 1137 R CB 0.205 30.564 30.300 0.098 0.000 0.984 1137 R HN 0.204 nan 8.270 nan 0.000 0.448 1138 D N 1.500 121.928 120.400 0.046 0.000 3.041 1138 D HA -0.252 4.388 4.640 -0.001 0.000 0.220 1138 D C 0.610 176.912 176.300 0.002 0.000 1.157 1138 D CA 1.054 55.064 54.000 0.017 0.000 0.876 1138 D CB -1.079 39.730 40.800 0.015 0.000 1.107 1138 D HN 0.632 nan 8.370 nan 0.000 0.422 1139 I N -0.116 120.478 120.570 0.039 0.000 2.500 1139 I HA -0.144 4.026 4.170 -0.001 0.000 0.252 1139 I C 1.602 177.767 176.117 0.079 0.000 1.142 1139 I CA 0.944 62.294 61.300 0.084 0.000 1.451 1139 I CB 0.136 38.224 38.000 0.147 0.000 1.093 1139 I HN -0.048 nan 8.210 nan 0.000 0.430 1140 N N 1.315 120.016 118.700 0.002 0.000 2.467 1140 N HA -0.028 4.712 4.740 -0.001 0.000 0.184 1140 N C 0.605 175.916 175.510 -0.331 0.000 1.106 1140 N CA 0.486 53.485 53.050 -0.085 0.000 0.892 1140 N CB 0.110 38.573 38.487 -0.041 0.000 0.969 1140 N HN 0.453 nan 8.380 nan 0.000 0.454 1141 K N 0.982 121.138 120.400 -0.407 0.000 2.551 1141 K HA 0.006 4.325 4.320 -0.001 0.000 0.204 1141 K C -0.347 175.809 176.600 -0.739 0.000 1.033 1141 K CA -0.132 55.599 56.287 -0.927 0.000 1.187 1141 K CB 0.125 32.384 32.500 -0.401 0.000 0.900 1141 K HN -0.124 nan 8.250 nan 0.000 0.499 1142 D N 1.626 121.793 120.400 -0.389 0.000 2.705 1142 D HA -0.121 4.519 4.640 -0.001 0.000 0.240 1142 D C 0.389 176.672 176.300 -0.029 0.000 1.137 1142 D CA 1.234 55.164 54.000 -0.116 0.000 0.677 1142 D CB -1.105 39.667 40.800 -0.046 0.000 1.049 1142 D HN 0.479 nan 8.370 nan 0.000 0.427 1143 T N -1.903 112.643 114.554 -0.014 0.000 3.086 1143 T HA 0.383 4.732 4.350 -0.001 0.000 0.250 1143 T C 1.054 175.750 174.700 -0.006 0.000 1.074 1143 T CA 0.336 62.421 62.100 -0.025 0.000 0.988 1143 T CB -0.095 68.741 68.868 -0.054 0.000 0.988 1143 T HN 0.548 nan 8.240 nan 0.000 0.530 1144 I N -3.200 117.402 120.570 0.052 0.000 2.908 1144 I HA 0.692 4.861 4.170 -0.001 0.000 0.300 1144 I C -2.280 173.878 176.117 0.069 0.000 1.385 1144 I CA -1.243 60.071 61.300 0.024 0.000 1.004 1144 I CB 1.743 39.714 38.000 -0.048 0.000 1.309 1144 I HN -0.338 nan 8.210 nan 0.000 0.449 1145 D N 4.318 124.723 120.400 0.009 0.000 2.277 1145 D HA 0.456 5.096 4.640 -0.001 0.000 0.249 1145 D C -0.873 175.421 176.300 -0.010 0.000 1.134 1145 D CA 0.492 54.535 54.000 0.072 0.000 0.863 1145 D CB 0.654 41.472 40.800 0.031 0.000 1.143 1145 D HN 0.304 nan 8.370 nan 0.000 0.458 1146 F N 2.060 121.980 119.950 -0.050 0.000 2.377 1146 F HA 0.469 4.996 4.527 -0.001 0.000 0.328 1146 F C 0.860 176.636 175.800 -0.040 0.000 1.094 1146 F CA -0.888 57.073 58.000 -0.065 0.000 1.093 1146 F CB 0.641 39.613 39.000 -0.047 0.000 1.214 1146 F HN 0.158 nan 8.300 nan 0.000 0.518 1147 I N -1.597 119.039 120.570 0.109 0.000 3.042 1147 I HA 0.515 4.685 4.170 -0.001 0.000 0.310 1147 I C -0.954 175.211 176.117 0.081 0.000 1.117 1147 I CA -1.275 60.066 61.300 0.069 0.000 1.003 1147 I CB 1.918 39.928 38.000 0.015 0.000 1.228 1147 I HN 0.279 nan 8.210 nan 0.000 0.443 1148 D N 3.211 123.646 120.400 0.059 0.000 2.400 1148 D HA 0.044 4.684 4.640 -0.001 0.000 0.238 1148 D C 0.228 176.553 176.300 0.042 0.000 1.157 1148 D CA 0.167 54.194 54.000 0.045 0.000 0.889 1148 D CB 0.528 41.339 40.800 0.018 0.000 1.199 1148 D HN 0.655 nan 8.370 nan 0.000 0.436 1149 N N 0.575 119.290 118.700 0.024 0.000 2.271 1149 N HA -0.120 4.619 4.740 -0.001 0.000 0.276 1149 N C 1.250 176.746 175.510 -0.023 0.000 1.292 1149 N CA 0.145 53.204 53.050 0.016 0.000 0.934 1149 N CB -0.700 37.749 38.487 -0.064 0.000 1.037 1149 N HN 0.633 nan 8.380 nan 0.000 0.483 1150 Y N -2.536 117.790 120.300 0.043 0.000 2.263 1150 Y HA 0.084 4.633 4.550 -0.001 0.000 0.292 1150 Y C 1.277 177.176 175.900 -0.002 0.000 1.130 1150 Y CA 1.356 59.460 58.100 0.007 0.000 1.179 1150 Y CB -0.355 38.088 38.460 -0.029 0.000 0.998 1150 Y HN 0.519 nan 8.280 nan 0.000 0.532 1151 D N -0.577 119.688 120.400 -0.226 0.000 2.449 1151 D HA 0.152 4.791 4.640 -0.001 0.000 0.210 1151 D C 1.459 177.700 176.300 -0.099 0.000 1.094 1151 D CA 0.536 54.506 54.000 -0.051 0.000 0.846 1151 D CB 0.238 41.026 40.800 -0.020 0.000 1.003 1151 D HN 0.505 nan 8.370 nan 0.000 0.504 1152 G N 0.914 109.621 108.800 -0.156 0.000 2.325 1152 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.248 1152 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.248 1152 G C 0.270 175.120 174.900 -0.083 0.000 1.108 1152 G CA 0.066 45.117 45.100 -0.081 0.000 0.881 1152 G HN 0.319 nan 8.290 nan 0.000 0.494 1153 N N -0.283 118.339 118.700 -0.131 0.000 2.143 1153 N HA 0.145 4.884 4.740 -0.001 0.000 0.222 1153 N C 0.330 175.796 175.510 -0.074 0.000 1.264 1153 N CA 0.507 53.499 53.050 -0.097 0.000 0.897 1153 N CB 0.789 39.204 38.487 -0.120 0.000 1.092 1153 N HN 0.696 nan 8.380 nan 0.000 0.516 1154 E N 0.070 120.229 120.200 -0.068 0.000 2.458 1154 E HA 0.431 4.780 4.350 -0.001 0.000 0.278 1154 E C -0.500 176.160 176.600 0.101 0.000 1.004 1154 E CA -0.616 55.798 56.400 0.024 0.000 0.823 1154 E CB 2.159 31.866 29.700 0.012 0.000 1.396 1154 E HN -0.135 nan 8.360 nan 0.000 0.463 1155 R N 0.864 121.493 120.500 0.215 0.000 2.902 1155 R HA 0.581 4.921 4.340 -0.001 0.000 0.258 1155 R C -0.177 176.341 176.300 0.363 0.000 1.071 1155 R CA -0.605 55.649 56.100 0.255 0.000 1.024 1155 R CB 1.657 32.112 30.300 0.259 0.000 1.184 1155 R HN 0.768 nan 8.270 nan 0.000 0.492 1156 E N -0.328 119.974 120.200 0.170 0.000 2.401 1156 E HA 0.448 4.798 4.350 -0.001 0.000 0.280 1156 E C -3.007 173.218 176.600 -0.626 0.000 1.039 1156 E CA -2.192 54.025 56.400 -0.305 0.000 0.814 1156 E CB 1.997 31.593 29.700 -0.174 0.000 1.275 1156 E HN 0.101 nan 8.360 nan 0.000 0.448 1157 P HA 0.017 nan 4.420 nan 0.000 0.276 1157 P C 0.562 177.503 177.300 -0.598 0.000 1.230 1157 P CA -0.222 62.196 63.100 -1.136 0.000 0.776 1157 P CB 1.321 32.444 31.700 -0.961 0.000 0.888 1158 S N 2.573 118.000 115.700 -0.456 0.000 2.395 1158 S HA 0.027 4.497 4.470 -0.001 0.000 0.225 1158 S C 0.638 175.103 174.600 -0.225 0.000 1.027 1158 S CA 0.807 58.856 58.200 -0.251 0.000 0.965 1158 S CB -0.297 62.803 63.200 -0.166 0.000 0.812 1158 S HN 0.399 nan 8.310 nan 0.000 0.482 1159 V N 1.216 120.979 119.914 -0.250 0.000 2.924 1159 V HA 0.500 4.620 4.120 -0.001 0.000 0.300 1159 V C -1.327 174.660 176.094 -0.180 0.000 1.227 1159 V CA -1.254 60.925 62.300 -0.201 0.000 0.954 1159 V CB 1.806 33.518 31.823 -0.185 0.000 1.055 1159 V HN 0.477 nan 8.190 nan 0.000 0.429 1160 L N 6.703 127.839 121.223 -0.146 0.000 2.453 1160 L HA 0.440 4.779 4.340 -0.001 0.000 0.261 1160 L C -1.437 175.464 176.870 0.052 0.000 1.179 1160 L CA -1.452 53.345 54.840 -0.071 0.000 0.813 1160 L CB 0.420 42.451 42.059 -0.047 0.000 1.110 1160 L HN 0.424 nan 8.230 nan 0.000 0.466 1161 P HA -0.255 nan 4.420 nan 0.000 0.217 1161 P C 0.458 177.889 177.300 0.219 0.000 1.148 1161 P CA 1.490 64.680 63.100 0.150 0.000 0.834 1161 P CB 0.003 31.741 31.700 0.063 0.000 0.783 1162 A N -0.633 122.246 122.820 0.098 0.000 2.154 1162 A HA -0.248 4.072 4.320 -0.001 0.000 0.274 1162 A C 1.217 178.875 177.584 0.123 0.000 1.373 1162 A CA 0.563 52.601 52.037 0.002 0.000 0.751 1162 A CB -1.322 17.672 19.000 -0.011 0.000 1.149 1162 A HN 0.134 nan 8.150 nan 0.000 0.337 1163 R N -0.638 119.945 120.500 0.138 0.000 2.323 1163 R HA 0.150 4.489 4.340 -0.001 0.000 0.198 1163 R C 0.238 176.746 176.300 0.347 0.000 0.988 1163 R CA 1.250 57.470 56.100 0.199 0.000 1.041 1163 R CB -0.861 29.548 30.300 0.183 0.000 0.926 1163 R HN 1.119 nan 8.270 nan 0.000 0.476 1164 F N -2.311 117.778 119.950 0.233 0.000 2.588 1164 F HA 0.484 5.010 4.527 -0.001 0.000 0.314 1164 F C -2.821 172.942 175.800 -0.061 0.000 1.134 1164 F CA -3.607 54.459 58.000 0.109 0.000 0.961 1164 F CB 1.478 40.474 39.000 -0.006 0.000 1.239 1164 F HN -0.277 nan 8.300 nan 0.000 0.448 1165 P HA -0.045 nan 4.420 nan 0.000 0.180 1165 P C 0.072 177.129 177.300 -0.405 0.000 1.169 1165 P CA 0.848 63.499 63.100 -0.748 0.000 1.228 1165 P CB -0.102 31.299 31.700 -0.499 0.000 1.668 1166 N N 1.616 119.998 118.700 -0.529 0.000 2.171 1166 N HA -0.127 4.613 4.740 -0.001 0.000 0.184 1166 N C 1.326 176.745 175.510 -0.152 0.000 1.021 1166 N CA 0.720 53.548 53.050 -0.370 0.000 0.854 1166 N CB -0.578 37.568 38.487 -0.569 0.000 0.994 1166 N HN 0.067 nan 8.380 nan 0.000 0.426 1167 L N 1.191 122.309 121.223 -0.175 0.000 1.929 1167 L HA -0.189 4.151 4.340 -0.001 0.000 0.229 1167 L C 1.985 178.824 176.870 -0.053 0.000 1.086 1167 L CA 1.824 56.605 54.840 -0.098 0.000 0.798 1167 L CB -1.142 40.862 42.059 -0.091 0.000 0.898 1167 L HN 0.272 nan 8.230 nan 0.000 0.436 1168 L N -0.750 120.421 121.223 -0.087 0.000 2.129 1168 L HA -0.246 4.094 4.340 -0.001 0.000 0.212 1168 L C 2.631 179.601 176.870 0.166 0.000 1.087 1168 L CA 1.286 56.113 54.840 -0.022 0.000 0.757 1168 L CB -1.437 40.426 42.059 -0.327 0.000 0.896 1168 L HN 0.546 nan 8.230 nan 0.000 0.434 1169 A N 0.898 123.764 122.820 0.076 0.000 1.841 1169 A HA -0.229 4.091 4.320 -0.001 0.000 0.216 1169 A C 2.098 179.767 177.584 0.141 0.000 1.199 1169 A CA 2.243 54.401 52.037 0.201 0.000 0.621 1169 A CB -0.570 18.597 19.000 0.277 0.000 0.835 1169 A HN 0.439 nan 8.150 nan 0.000 0.445 1170 N N -0.897 117.852 118.700 0.082 0.000 2.395 1170 N HA 0.249 4.989 4.740 -0.001 0.000 0.175 1170 N C 1.076 176.434 175.510 -0.254 0.000 1.029 1170 N CA 1.220 54.215 53.050 -0.092 0.000 0.897 1170 N CB 0.179 38.652 38.487 -0.022 0.000 0.991 1170 N HN 0.793 nan 8.380 nan 0.000 0.441 1171 G N 0.142 108.868 108.800 -0.123 0.000 2.660 1171 G HA2 0.243 4.203 3.960 -0.001 0.000 0.215 1171 G HA3 0.243 4.203 3.960 -0.001 0.000 0.215 1171 G C -1.094 173.762 174.900 -0.075 0.000 1.345 1171 G CA -0.233 44.820 45.100 -0.079 0.000 0.877 1171 G HN 0.674 nan 8.290 nan 0.000 0.549 1172 A N -1.846 120.986 122.820 0.021 0.000 2.583 1172 A HA 0.998 5.318 4.320 -0.001 0.000 0.292 1172 A C -0.308 177.347 177.584 0.118 0.000 1.045 1172 A CA 0.979 53.038 52.037 0.037 0.000 0.672 1172 A CB 0.998 20.016 19.000 0.030 0.000 1.283 1172 A HN 2.505 nan 8.150 nan 0.000 0.419 1173 S N -0.410 115.351 115.700 0.102 0.000 2.562 1173 S HA 0.783 5.252 4.470 -0.001 0.000 0.274 1173 S C -0.558 174.089 174.600 0.078 0.000 1.160 1173 S CA 0.400 58.661 58.200 0.103 0.000 0.933 1173 S CB 1.305 64.594 63.200 0.150 0.000 1.100 1173 S HN 2.515 nan 8.310 nan 0.000 0.468 1174 G N 2.929 111.759 108.800 0.051 0.000 2.732 1174 G HA2 0.601 4.561 3.960 -0.001 0.000 0.296 1174 G HA3 0.601 4.561 3.960 -0.001 0.000 0.296 1174 G C -1.868 173.042 174.900 0.018 0.000 1.448 1174 G CA -0.580 44.542 45.100 0.038 0.000 0.911 1174 G HN 0.750 nan 8.290 nan 0.000 0.528 1175 I N 2.064 122.642 120.570 0.012 0.000 2.382 1175 I HA 0.518 4.688 4.170 -0.001 0.000 0.285 1175 I C 0.940 177.053 176.117 -0.007 0.000 1.007 1175 I CA -0.558 60.746 61.300 0.008 0.000 1.142 1175 I CB 1.674 39.686 38.000 0.020 0.000 1.289 1175 I HN 0.702 nan 8.210 nan 0.000 0.453 1176 A N 6.110 128.920 122.820 -0.017 0.000 3.754 1176 A HA 0.714 5.033 4.320 -0.001 0.000 0.165 1176 A C 0.065 177.615 177.584 -0.057 0.000 1.775 1176 A CA -0.073 51.931 52.037 -0.056 0.000 1.457 1176 A CB 0.427 19.395 19.000 -0.054 0.000 1.597 1176 A HN 0.393 nan 8.150 nan 0.000 0.658 1177 V N -0.907 118.972 119.914 -0.058 0.000 2.722 1177 V HA 0.565 4.685 4.120 -0.001 0.000 0.260 1177 V C 0.482 176.605 176.094 0.049 0.000 0.941 1177 V CA 0.292 62.598 62.300 0.010 0.000 0.888 1177 V CB 0.136 31.899 31.823 -0.100 0.000 1.059 1177 V HN 1.946 nan 8.190 nan 0.000 0.486 1178 G N 4.043 112.891 108.800 0.080 0.000 2.428 1178 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.199 1178 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.199 1178 G C -0.122 174.802 174.900 0.040 0.000 1.005 1178 G CA 0.252 45.397 45.100 0.075 0.000 0.671 1178 G HN 0.755 nan 8.290 nan 0.000 0.485 1179 M N -1.143 118.470 119.600 0.020 0.000 2.843 1179 M HA 0.866 5.345 4.480 -0.001 0.000 0.273 1179 M C -0.798 175.503 176.300 0.003 0.000 1.286 1179 M CA -0.535 54.770 55.300 0.008 0.000 0.807 1179 M CB 1.742 34.339 32.600 -0.004 0.000 1.684 1179 M HN 1.486 nan 8.290 nan 0.000 0.458 1180 A N 0.417 123.235 122.820 -0.002 0.000 2.612 1180 A HA 0.793 5.113 4.320 -0.001 0.000 0.293 1180 A C -1.252 176.327 177.584 -0.009 0.000 1.075 1180 A CA -0.468 51.567 52.037 -0.005 0.000 0.680 1180 A CB 1.917 20.916 19.000 -0.002 0.000 1.279 1180 A HN 0.923 nan 8.150 nan 0.000 0.411 1181 T N -0.089 114.462 114.554 -0.005 0.000 2.908 1181 T HA 0.684 5.034 4.350 -0.001 0.000 0.290 1181 T C -1.053 173.642 174.700 -0.008 0.000 1.034 1181 T CA -0.514 61.585 62.100 -0.003 0.000 1.010 1181 T CB 1.000 69.875 68.868 0.011 0.000 1.068 1181 T HN 0.882 nan 8.240 nan 0.000 0.481 1182 N N 3.253 121.937 118.700 -0.027 0.000 2.629 1182 N HA 0.463 5.203 4.740 -0.001 0.000 0.277 1182 N C -1.792 173.716 175.510 -0.002 0.000 1.188 1182 N CA -0.336 52.676 53.050 -0.063 0.000 0.835 1182 N CB 0.635 38.960 38.487 -0.271 0.000 1.420 1182 N HN 0.564 nan 8.380 nan 0.000 0.542 1183 I N 3.720 124.398 120.570 0.179 0.000 2.433 1183 I HA 0.554 4.724 4.170 -0.001 0.000 0.292 1183 I C -2.119 174.248 176.117 0.416 0.000 1.001 1183 I CA -2.097 59.369 61.300 0.276 0.000 1.119 1183 I CB 2.239 40.344 38.000 0.175 0.000 1.289 1183 I HN 0.369 nan 8.210 nan 0.000 0.438 1184 P HA 0.334 nan 4.420 nan 0.000 0.278 1184 P C -2.732 174.212 177.300 -0.593 0.000 1.258 1184 P CA -2.083 60.903 63.100 -0.190 0.000 0.811 1184 P CB 0.203 31.688 31.700 -0.359 0.000 1.063 1185 P HA 0.290 nan 4.420 nan 0.000 0.293 1185 P C -1.093 175.735 177.300 -0.787 0.000 1.300 1185 P CA -0.029 62.672 63.100 -0.665 0.000 0.792 1185 P CB 0.484 31.759 31.700 -0.708 0.000 0.925 1186 H N 0.277 119.201 119.070 -0.244 0.000 2.651 1186 H HA 0.348 4.904 4.556 -0.001 0.000 0.353 1186 H C 0.603 175.906 175.328 -0.043 0.000 1.178 1186 H CA -0.787 55.161 56.048 -0.166 0.000 1.224 1186 H CB 0.777 30.477 29.762 -0.103 0.000 1.702 1186 H HN 0.329 nan 8.280 nan 0.000 0.550 1187 N N 2.258 121.019 118.700 0.102 0.000 2.399 1187 N HA -0.062 4.677 4.740 -0.001 0.000 0.259 1187 N C 1.001 176.596 175.510 0.141 0.000 1.160 1187 N CA -0.058 53.080 53.050 0.145 0.000 0.946 1187 N CB 0.500 39.033 38.487 0.078 0.000 1.156 1187 N HN 0.579 nan 8.380 nan 0.000 0.489 1188 L N 4.694 126.029 121.223 0.186 0.000 2.030 1188 L HA -0.310 4.029 4.340 -0.001 0.000 0.222 1188 L C 1.980 178.830 176.870 -0.033 0.000 1.082 1188 L CA 2.146 56.963 54.840 -0.038 0.000 0.785 1188 L CB -1.102 40.712 42.059 -0.409 0.000 0.895 1188 L HN 0.622 nan 8.230 nan 0.000 0.439 1189 T N -0.801 113.747 114.554 -0.009 0.000 2.635 1189 T HA -0.233 4.116 4.350 -0.001 0.000 0.267 1189 T C 1.671 176.367 174.700 -0.006 0.000 1.040 1189 T CA 1.770 63.866 62.100 -0.006 0.000 1.156 1189 T CB -0.375 68.499 68.868 0.010 0.000 0.863 1189 T HN 0.504 nan 8.240 nan 0.000 0.430 1190 E N 0.872 121.076 120.200 0.006 0.000 2.049 1190 E HA -0.117 4.233 4.350 -0.001 0.000 0.198 1190 E C 2.289 178.866 176.600 -0.038 0.000 1.007 1190 E CA 1.074 57.470 56.400 -0.007 0.000 0.809 1190 E CB -0.436 29.270 29.700 0.010 0.000 0.749 1190 E HN 0.414 nan 8.360 nan 0.000 0.450 1191 L N 0.888 122.083 121.223 -0.047 0.000 2.263 1191 L HA -0.209 4.130 4.340 -0.001 0.000 0.216 1191 L C 2.331 179.151 176.870 -0.084 0.000 1.111 1191 L CA 0.678 55.458 54.840 -0.100 0.000 0.773 1191 L CB -0.322 41.673 42.059 -0.107 0.000 0.906 1191 L HN 0.222 nan 8.230 nan 0.000 0.439 1192 I N -0.528 120.014 120.570 -0.047 0.000 2.260 1192 I HA -0.195 3.974 4.170 -0.001 0.000 0.237 1192 I C 2.096 178.204 176.117 -0.015 0.000 1.075 1192 I CA 0.780 62.068 61.300 -0.021 0.000 1.376 1192 I CB -0.572 37.425 38.000 -0.004 0.000 1.107 1192 I HN 0.310 nan 8.210 nan 0.000 0.420 1193 N N 1.880 120.570 118.700 -0.017 0.000 2.069 1193 N HA -0.210 4.529 4.740 -0.001 0.000 0.196 1193 N C 1.851 177.346 175.510 -0.026 0.000 1.024 1193 N CA 1.785 54.826 53.050 -0.016 0.000 0.869 1193 N CB -1.430 37.047 38.487 -0.016 0.000 1.035 1193 N HN 0.460 nan 8.380 nan 0.000 0.434 1194 G N 1.319 110.092 108.800 -0.046 0.000 2.631 1194 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.219 1194 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.219 1194 G C 1.629 176.500 174.900 -0.048 0.000 1.214 1194 G CA 2.232 47.291 45.100 -0.067 0.000 0.785 1194 G HN 0.293 nan 8.290 nan 0.000 0.596 1195 V N 0.983 120.877 119.914 -0.033 0.000 2.343 1195 V HA -0.132 3.988 4.120 -0.001 0.000 0.247 1195 V C 2.897 178.998 176.094 0.011 0.000 1.051 1195 V CA 1.591 63.896 62.300 0.007 0.000 1.036 1195 V CB -0.745 31.116 31.823 0.064 0.000 0.654 1195 V HN 0.349 nan 8.190 nan 0.000 0.451 1196 L N 0.496 121.723 121.223 0.007 0.000 1.956 1196 L HA -0.211 4.128 4.340 -0.001 0.000 0.216 1196 L C 2.783 179.652 176.870 -0.001 0.000 1.073 1196 L CA 2.176 57.021 54.840 0.007 0.000 0.762 1196 L CB -0.838 41.223 42.059 0.005 0.000 0.889 1196 L HN 0.332 nan 8.230 nan 0.000 0.433 1197 S N 0.098 115.793 115.700 -0.009 0.000 2.387 1197 S HA -0.213 4.256 4.470 -0.001 0.000 0.230 1197 S C 1.764 176.356 174.600 -0.013 0.000 1.035 1197 S CA 1.402 59.595 58.200 -0.012 0.000 1.014 1197 S CB -0.499 62.690 63.200 -0.018 0.000 0.836 1197 S HN 0.281 nan 8.310 nan 0.000 0.466 1198 L N 2.281 123.494 121.223 -0.016 0.000 2.456 1198 L HA -0.020 4.320 4.340 -0.001 0.000 0.224 1198 L C 2.038 178.903 176.870 -0.008 0.000 1.148 1198 L CA 1.309 56.139 54.840 -0.017 0.000 0.825 1198 L CB -0.824 41.222 42.059 -0.022 0.000 0.937 1198 L HN 0.383 nan 8.230 nan 0.000 0.450 1199 S N -1.564 114.134 115.700 -0.003 0.000 2.404 1199 S HA -0.059 4.411 4.470 -0.001 0.000 0.223 1199 S C 1.731 176.328 174.600 -0.005 0.000 1.040 1199 S CA 0.312 58.511 58.200 -0.002 0.000 0.957 1199 S CB -0.424 62.777 63.200 0.002 0.000 0.826 1199 S HN 0.486 nan 8.310 nan 0.000 0.491 1200 K N 1.508 121.905 120.400 -0.005 0.000 2.525 1200 K HA 0.210 4.530 4.320 -0.001 0.000 0.192 1200 K C -0.081 176.515 176.600 -0.007 0.000 1.029 1200 K CA 0.208 56.491 56.287 -0.006 0.000 1.029 1200 K CB -0.162 32.335 32.500 -0.005 0.000 0.814 1200 K HN 0.283 nan 8.250 nan 0.000 0.503 1201 N N -0.081 118.614 118.700 -0.008 0.000 2.932 1201 N HA 0.125 4.864 4.740 -0.001 0.000 0.242 1201 N C -2.679 172.825 175.510 -0.010 0.000 1.351 1201 N CA -1.363 51.682 53.050 -0.009 0.000 0.785 1201 N CB 1.348 39.829 38.487 -0.009 0.000 1.501 1201 N HN -0.274 nan 8.380 nan 0.000 0.584 1202 P HA 0.027 nan 4.420 nan 0.000 0.225 1202 P C -0.796 176.498 177.300 -0.009 0.000 1.148 1202 P CA 1.122 64.217 63.100 -0.008 0.000 0.779 1202 P CB 0.222 31.919 31.700 -0.004 0.000 0.780 1203 D N 0.034 120.429 120.400 -0.008 0.000 2.483 1203 D HA 0.279 4.918 4.640 -0.001 0.000 0.281 1203 D C -0.194 176.100 176.300 -0.009 0.000 1.174 1203 D CA -0.271 53.724 54.000 -0.008 0.000 0.938 1203 D CB 0.507 41.305 40.800 -0.004 0.000 1.002 1203 D HN 0.133 nan 8.370 nan 0.000 0.501 1204 I N 0.474 121.036 120.570 -0.014 0.000 2.693 1204 I HA 0.354 4.524 4.170 -0.001 0.000 0.303 1204 I C -0.293 175.814 176.117 -0.017 0.000 1.025 1204 I CA -0.468 60.822 61.300 -0.016 0.000 1.086 1204 I CB 1.744 39.730 38.000 -0.023 0.000 1.268 1204 I HN 0.056 nan 8.210 nan 0.000 0.440 1205 S N 6.111 121.803 115.700 -0.013 0.000 2.525 1205 S HA 0.456 4.926 4.470 -0.001 0.000 0.290 1205 S C 1.152 175.746 174.600 -0.011 0.000 1.152 1205 S CA -0.683 57.512 58.200 -0.008 0.000 1.072 1205 S CB 1.349 64.548 63.200 -0.001 0.000 1.027 1205 S HN 0.709 nan 8.310 nan 0.000 0.500 1206 I N 1.962 122.529 120.570 -0.005 0.000 2.151 1206 I HA -0.260 3.909 4.170 -0.001 0.000 0.243 1206 I C 2.822 178.947 176.117 0.013 0.000 1.080 1206 I CA 1.778 63.076 61.300 -0.002 0.000 1.339 1206 I CB -0.739 37.278 38.000 0.029 0.000 1.039 1206 I HN 0.921 nan 8.210 nan 0.000 0.409 1207 A N 0.250 123.084 122.820 0.024 0.000 2.139 1207 A HA -0.262 4.058 4.320 -0.001 0.000 0.221 1207 A C 2.224 179.818 177.584 0.017 0.000 1.159 1207 A CA 2.307 54.362 52.037 0.029 0.000 0.662 1207 A CB -0.863 18.152 19.000 0.025 0.000 0.796 1207 A HN 0.581 nan 8.150 nan 0.000 0.463 1208 E N -0.474 119.728 120.200 0.003 0.000 2.162 1208 E HA 0.226 4.575 4.350 -0.001 0.000 0.193 1208 E C 1.899 178.488 176.600 -0.018 0.000 0.953 1208 E CA 0.561 56.958 56.400 -0.005 0.000 0.849 1208 E CB -0.721 28.975 29.700 -0.008 0.000 0.810 1208 E HN 0.525 nan 8.360 nan 0.000 0.470 1209 L N -0.406 120.796 121.223 -0.034 0.000 2.081 1209 L HA -0.138 4.201 4.340 -0.001 0.000 0.212 1209 L C 2.893 179.722 176.870 -0.069 0.000 1.080 1209 L CA 1.621 56.421 54.840 -0.066 0.000 0.754 1209 L CB -0.296 41.701 42.059 -0.104 0.000 0.893 1209 L HN 0.363 nan 8.230 nan 0.000 0.433 1210 M N -0.627 118.953 119.600 -0.035 0.000 2.630 1210 M HA -0.121 4.359 4.480 -0.001 0.000 0.254 1210 M C 2.247 178.558 176.300 0.018 0.000 1.092 1210 M CA 1.301 56.606 55.300 0.008 0.000 1.087 1210 M CB -0.250 32.407 32.600 0.095 0.000 1.453 1210 M HN 0.343 nan 8.290 nan 0.000 0.509 1211 E N 0.209 120.411 120.200 0.004 0.000 2.358 1211 E HA -0.142 4.207 4.350 -0.001 0.000 0.195 1211 E C 1.219 177.819 176.600 0.000 0.000 1.010 1211 E CA 1.186 57.590 56.400 0.007 0.000 0.856 1211 E CB -0.276 29.426 29.700 0.003 0.000 0.795 1211 E HN 0.478 nan 8.360 nan 0.000 0.504 1212 D N -1.175 119.217 120.400 -0.013 0.000 2.423 1212 D HA 0.209 4.848 4.640 -0.001 0.000 0.208 1212 D C 0.288 176.576 176.300 -0.019 0.000 1.068 1212 D CA 0.033 54.022 54.000 -0.017 0.000 0.860 1212 D CB 0.736 41.519 40.800 -0.029 0.000 0.992 1212 D HN 0.426 nan 8.370 nan 0.000 0.504 1213 I N 1.570 122.126 120.570 -0.023 0.000 2.697 1213 I HA 0.134 4.303 4.170 -0.001 0.000 0.279 1213 I C 0.973 177.122 176.117 0.053 0.000 1.171 1213 I CA -0.163 61.125 61.300 -0.020 0.000 1.135 1213 I CB 1.009 38.937 38.000 -0.120 0.000 1.445 1213 I HN -0.229 nan 8.210 nan 0.000 0.541 1214 E N 3.210 123.447 120.200 0.061 0.000 2.136 1214 E HA -0.157 4.193 4.350 -0.001 0.000 0.202 1214 E C 1.132 177.819 176.600 0.146 0.000 1.019 1214 E CA 1.249 57.700 56.400 0.084 0.000 0.819 1214 E CB 0.143 29.877 29.700 0.055 0.000 0.739 1214 E HN 0.815 nan 8.360 nan 0.000 0.458 1215 G N -0.583 108.325 108.800 0.180 0.000 2.317 1215 G HA2 0.188 4.148 3.960 -0.001 0.000 0.293 1215 G HA3 0.188 4.148 3.960 -0.001 0.000 0.293 1215 G C -3.061 171.956 174.900 0.194 0.000 1.287 1215 G CA -1.149 44.106 45.100 0.259 0.000 0.850 1215 G HN -0.199 nan 8.290 nan 0.000 0.515 1216 P HA 0.332 nan 4.420 nan 0.000 0.270 1216 P C -1.059 175.931 177.300 -0.516 0.000 1.227 1216 P CA 0.123 62.890 63.100 -0.554 0.000 0.788 1216 P CB 0.696 31.795 31.700 -1.001 0.000 0.926 1217 D N 0.340 120.343 120.400 -0.660 0.000 2.686 1217 D HA 0.343 4.982 4.640 -0.001 0.000 0.249 1217 D C -1.252 174.655 176.300 -0.655 0.000 1.260 1217 D CA -0.446 53.282 54.000 -0.454 0.000 0.910 1217 D CB 0.325 41.002 40.800 -0.205 0.000 1.323 1217 D HN -0.001 nan 8.370 nan 0.000 0.561 1218 F N 3.691 123.461 119.950 -0.300 0.000 2.375 1218 F HA 0.317 4.844 4.527 -0.001 0.000 0.333 1218 F C -0.807 174.840 175.800 -0.255 0.000 1.104 1218 F CA -1.756 56.004 58.000 -0.401 0.000 1.149 1218 F CB 0.952 39.759 39.000 -0.322 0.000 1.190 1218 F HN 0.243 nan 8.300 nan 0.000 0.533 1219 P HA -0.147 nan 4.420 nan 0.000 0.219 1219 P C 1.078 178.434 177.300 0.095 0.000 1.146 1219 P CA 1.635 64.715 63.100 -0.033 0.000 0.808 1219 P CB -0.338 31.353 31.700 -0.015 0.000 0.779 1220 T N -4.074 110.590 114.554 0.185 0.000 3.194 1220 T HA 0.465 4.814 4.350 -0.001 0.000 0.251 1220 T C 1.214 175.980 174.700 0.111 0.000 1.132 1220 T CA 0.385 62.585 62.100 0.167 0.000 1.028 1220 T CB -0.659 68.325 68.868 0.194 0.000 0.976 1220 T HN 0.239 nan 8.240 nan 0.000 0.535 1221 A N 1.449 124.332 122.820 0.105 0.000 5.195 1221 A HA 0.120 4.439 4.320 -0.001 0.000 0.339 1221 A C 1.640 179.287 177.584 0.105 0.000 1.740 1221 A CA 1.666 53.756 52.037 0.089 0.000 0.704 1221 A CB -1.904 17.131 19.000 0.057 0.000 1.441 1221 A HN 2.336 nan 8.150 nan 0.000 0.397 1222 G N -3.192 105.649 108.800 0.067 0.000 2.642 1222 G HA2 0.280 4.240 3.960 -0.001 0.000 0.231 1222 G HA3 0.280 4.240 3.960 -0.001 0.000 0.231 1222 G C -0.501 174.435 174.900 0.061 0.000 1.338 1222 G CA 0.405 45.534 45.100 0.049 0.000 0.883 1222 G HN 2.025 nan 8.290 nan 0.000 0.570 1223 L N -0.619 120.634 121.223 0.050 0.000 2.371 1223 L HA 0.863 5.202 4.340 -0.001 0.000 0.262 1223 L C 0.287 177.190 176.870 0.055 0.000 1.006 1223 L CA -0.769 54.104 54.840 0.054 0.000 0.818 1223 L CB 2.088 44.170 42.059 0.038 0.000 1.354 1223 L HN 0.706 nan 8.230 nan 0.000 0.415 1224 I N 1.740 122.349 120.570 0.065 0.000 2.689 1224 I HA 0.510 4.679 4.170 -0.001 0.000 0.299 1224 I C -1.185 174.954 176.117 0.037 0.000 1.059 1224 I CA -0.625 60.718 61.300 0.072 0.000 1.055 1224 I CB 2.305 40.374 38.000 0.115 0.000 1.243 1224 I HN 0.349 nan 8.210 nan 0.000 0.425 1225 L N 4.478 125.716 121.223 0.025 0.000 2.349 1225 L HA 0.734 5.073 4.340 -0.001 0.000 0.278 1225 L C 0.181 177.054 176.870 0.005 0.000 0.996 1225 L CA -0.654 54.188 54.840 0.003 0.000 0.825 1225 L CB 1.535 43.583 42.059 -0.018 0.000 1.243 1225 L HN 0.826 nan 8.230 nan 0.000 0.412 1226 G N 1.071 109.873 108.800 0.003 0.000 2.825 1226 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.686 1226 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.686 1226 G C 0.426 175.331 174.900 0.008 0.000 1.362 1226 G CA 0.047 45.149 45.100 0.003 0.000 0.975 1226 G HN 0.875 nan 8.290 nan 0.000 0.594 1227 K N 0.273 120.680 120.400 0.010 0.000 2.555 1227 K HA 0.319 4.638 4.320 -0.001 0.000 0.193 1227 K C 2.672 179.273 176.600 0.002 0.000 1.032 1227 K CA 2.198 58.494 56.287 0.015 0.000 1.004 1227 K CB -0.249 32.265 32.500 0.024 0.000 0.804 1227 K HN 2.007 nan 8.250 nan 0.000 0.496 1228 S N -1.190 114.508 115.700 -0.004 0.000 2.404 1228 S HA 0.086 4.555 4.470 -0.001 0.000 0.223 1228 S C 2.439 177.025 174.600 -0.022 0.000 1.040 1228 S CA 0.954 59.149 58.200 -0.009 0.000 0.957 1228 S CB -0.327 62.871 63.200 -0.004 0.000 0.826 1228 S HN 0.522 nan 8.310 nan 0.000 0.491 1229 G N 2.095 110.883 108.800 -0.022 0.000 2.402 1229 G HA2 0.024 3.984 3.960 -0.001 0.000 0.216 1229 G HA3 0.024 3.984 3.960 -0.001 0.000 0.216 1229 G C 1.446 176.305 174.900 -0.068 0.000 1.162 1229 G CA 0.789 45.872 45.100 -0.027 0.000 0.777 1229 G HN 0.501 nan 8.290 nan 0.000 0.539 1230 I N 0.205 120.724 120.570 -0.086 0.000 2.113 1230 I HA -0.249 3.921 4.170 -0.001 0.000 0.242 1230 I C 2.857 178.779 176.117 -0.324 0.000 1.064 1230 I CA 1.641 62.815 61.300 -0.210 0.000 1.320 1230 I CB -0.202 37.725 38.000 -0.121 0.000 1.028 1230 I HN 0.134 nan 8.210 nan 0.000 0.406 1231 R N 0.658 121.077 120.500 -0.135 0.000 2.189 1231 R HA -0.100 4.239 4.340 -0.001 0.000 0.218 1231 R C 2.612 178.893 176.300 -0.032 0.000 1.074 1231 R CA 1.212 57.282 56.100 -0.049 0.000 0.991 1231 R CB -0.122 30.186 30.300 0.015 0.000 0.883 1231 R HN 0.287 nan 8.270 nan 0.000 0.457 1232 R N 0.239 120.707 120.500 -0.054 0.000 2.093 1232 R HA 0.155 4.495 4.340 -0.001 0.000 0.224 1232 R C 2.174 178.458 176.300 -0.026 0.000 1.101 1232 R CA 1.240 57.326 56.100 -0.023 0.000 0.979 1232 R CB -1.233 29.055 30.300 -0.020 0.000 0.877 1232 R HN 0.426 nan 8.270 nan 0.000 0.441 1233 A N 0.629 123.391 122.820 -0.097 0.000 1.834 1233 A HA -0.109 4.210 4.320 -0.001 0.000 0.216 1233 A C 2.280 179.891 177.584 0.044 0.000 1.203 1233 A CA 1.596 53.589 52.037 -0.073 0.000 0.621 1233 A CB -0.909 17.987 19.000 -0.174 0.000 0.841 1233 A HN 0.604 nan 8.150 nan 0.000 0.446 1234 Y N 0.506 120.825 120.300 0.032 0.000 2.062 1234 Y HA -0.273 4.276 4.550 -0.001 0.000 0.276 1234 Y C 2.567 178.467 175.900 -0.001 0.000 1.189 1234 Y CA 1.199 59.304 58.100 0.008 0.000 1.130 1234 Y CB -1.181 37.280 38.460 0.002 0.000 0.959 1234 Y HN 0.352 nan 8.280 nan 0.000 0.499 1235 E N -0.383 119.910 120.200 0.154 0.000 2.019 1235 E HA -0.197 4.153 4.350 -0.001 0.000 0.208 1235 E C 2.225 178.860 176.600 0.059 0.000 1.030 1235 E CA 2.560 59.010 56.400 0.084 0.000 0.856 1235 E CB -0.772 28.959 29.700 0.053 0.000 0.781 1235 E HN 0.614 nan 8.360 nan 0.000 0.471 1236 T N -4.070 110.512 114.554 0.046 0.000 3.037 1236 T HA 0.367 4.717 4.350 -0.001 0.000 0.251 1236 T C 1.427 176.148 174.700 0.034 0.000 1.079 1236 T CA 0.946 63.065 62.100 0.032 0.000 1.067 1236 T CB 0.909 69.789 68.868 0.021 0.000 0.948 1236 T HN 0.358 nan 8.240 nan 0.000 0.496 1237 G N 1.534 110.361 108.800 0.045 0.000 2.376 1237 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.208 1237 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.208 1237 G C 0.145 175.065 174.900 0.033 0.000 1.032 1237 G CA -0.513 44.615 45.100 0.047 0.000 0.641 1237 G HN 0.635 nan 8.290 nan 0.000 0.503 1238 R N 0.411 120.920 120.500 0.015 0.000 2.732 1238 R HA 0.672 5.011 4.340 -0.001 0.000 0.278 1238 R C 0.209 176.502 176.300 -0.013 0.000 0.976 1238 R CA 0.148 56.246 56.100 -0.004 0.000 0.963 1238 R CB 1.971 32.266 30.300 -0.008 0.000 1.150 1238 R HN 0.882 nan 8.270 nan 0.000 0.478 1239 G N -0.473 108.311 108.800 -0.027 0.000 2.356 1239 G HA2 0.333 4.293 3.960 -0.001 0.000 0.294 1239 G HA3 0.333 4.293 3.960 -0.001 0.000 0.294 1239 G C -1.730 173.151 174.900 -0.032 0.000 1.423 1239 G CA -0.460 44.621 45.100 -0.032 0.000 0.806 1239 G HN 0.398 nan 8.290 nan 0.000 0.527 1240 S N -0.782 114.905 115.700 -0.020 0.000 2.557 1240 S HA 0.766 5.235 4.470 -0.001 0.000 0.291 1240 S C -0.870 173.744 174.600 0.023 0.000 1.116 1240 S CA -0.631 57.569 58.200 -0.001 0.000 0.992 1240 S CB 0.855 64.053 63.200 -0.004 0.000 1.028 1240 S HN 0.563 nan 8.310 nan 0.000 0.484 1241 I N 4.143 124.757 120.570 0.074 0.000 2.418 1241 I HA 0.355 4.524 4.170 -0.001 0.000 0.287 1241 I C -0.306 175.870 176.117 0.098 0.000 1.008 1241 I CA -0.645 60.717 61.300 0.103 0.000 1.104 1241 I CB 1.900 40.022 38.000 0.203 0.000 1.264 1241 I HN 0.452 nan 8.210 nan 0.000 0.438 1242 Q N 7.299 127.133 119.800 0.057 0.000 2.314 1242 Q HA 0.466 4.806 4.340 -0.001 0.000 0.257 1242 Q C -0.693 175.325 176.000 0.029 0.000 0.975 1242 Q CA -0.118 55.707 55.803 0.037 0.000 0.933 1242 Q CB 1.760 30.506 28.738 0.014 0.000 1.195 1242 Q HN 0.585 nan 8.270 nan 0.000 0.426 1243 M N 2.594 122.199 119.600 0.008 0.000 2.367 1243 M HA 0.508 4.987 4.480 -0.001 0.000 0.339 1243 M C 0.081 176.379 176.300 -0.004 0.000 1.177 1243 M CA -0.305 54.971 55.300 -0.039 0.000 1.068 1243 M CB 1.633 34.127 32.600 -0.176 0.000 1.602 1243 M HN 0.330 nan 8.290 nan 0.000 0.457 1244 R N 1.018 121.526 120.500 0.014 0.000 2.626 1244 R HA 0.508 4.847 4.340 -0.001 0.000 0.274 1244 R C -1.395 174.960 176.300 0.091 0.000 1.031 1244 R CA -0.513 55.636 56.100 0.082 0.000 0.898 1244 R CB 1.786 32.114 30.300 0.047 0.000 1.222 1244 R HN 0.826 nan 8.270 nan 0.000 0.455 1245 S N 2.400 118.180 115.700 0.132 0.000 2.584 1245 S HA 0.145 4.615 4.470 -0.001 0.000 0.270 1245 S C 0.056 174.713 174.600 0.095 0.000 1.346 1245 S CA -0.580 57.668 58.200 0.079 0.000 1.018 1245 S CB 0.723 63.944 63.200 0.035 0.000 0.899 1245 S HN 0.584 nan 8.310 nan 0.000 0.542 1246 R N 1.108 121.642 120.500 0.056 0.000 2.242 1246 R HA 0.479 4.819 4.340 -0.001 0.000 0.334 1246 R C -0.522 175.807 176.300 0.048 0.000 1.071 1246 R CA -0.142 55.991 56.100 0.055 0.000 0.922 1246 R CB -0.217 30.105 30.300 0.038 0.000 1.023 1246 R HN 0.728 nan 8.270 nan 0.000 0.458 1247 A N 3.999 126.861 122.820 0.071 0.000 2.374 1247 A HA 0.639 4.959 4.320 -0.001 0.000 0.317 1247 A C -0.924 176.691 177.584 0.052 0.000 1.094 1247 A CA -0.698 51.370 52.037 0.052 0.000 0.765 1247 A CB 1.765 20.801 19.000 0.061 0.000 1.268 1247 A HN 0.607 nan 8.150 nan 0.000 0.438 1248 V N -0.345 119.587 119.914 0.030 0.000 2.789 1248 V HA 0.738 4.858 4.120 -0.001 0.000 0.311 1248 V C -0.654 175.452 176.094 0.020 0.000 1.073 1248 V CA -0.712 61.605 62.300 0.027 0.000 0.921 1248 V CB 1.428 33.262 31.823 0.019 0.000 1.009 1248 V HN 0.729 nan 8.190 nan 0.000 0.426 1249 I N 3.704 124.288 120.570 0.023 0.000 2.359 1249 I HA 0.626 4.796 4.170 -0.001 0.000 0.294 1249 I C -0.082 176.042 176.117 0.012 0.000 0.987 1249 I CA -0.234 61.075 61.300 0.016 0.000 1.225 1249 I CB 1.709 39.721 38.000 0.020 0.000 1.366 1249 I HN 1.007 nan 8.210 nan 0.000 0.466 1250 E N 3.290 123.494 120.200 0.007 0.000 2.308 1250 E HA 0.581 4.930 4.350 -0.001 0.000 0.275 1250 E C -0.869 175.733 176.600 0.004 0.000 0.890 1250 E CA -0.908 55.495 56.400 0.006 0.000 0.754 1250 E CB 1.459 31.162 29.700 0.005 0.000 1.207 1250 E HN 0.528 nan 8.360 nan 0.000 0.426 1251 E N 1.194 121.396 120.200 0.004 0.000 2.223 1251 E HA 0.430 4.780 4.350 -0.001 0.000 0.282 1251 E C 0.649 177.250 176.600 0.002 0.000 1.046 1251 E CA 0.029 56.431 56.400 0.003 0.000 0.857 1251 E CB 0.691 30.393 29.700 0.003 0.000 1.055 1251 E HN 0.685 nan 8.360 nan 0.000 0.409 1252 R N 1.574 122.074 120.500 0.000 0.000 2.356 1252 R HA 0.548 4.887 4.340 -0.001 0.000 0.234 1252 R C 1.512 177.812 176.300 -0.000 0.000 0.929 1252 R CA 1.162 57.262 56.100 -0.000 0.000 1.084 1252 R CB -1.078 29.221 30.300 -0.002 0.000 1.105 1252 R HN 2.335 nan 8.270 nan 0.000 0.515 1253 G N -1.569 107.231 108.800 0.001 0.000 2.698 1253 G HA2 0.247 4.206 3.960 -0.001 0.000 0.233 1253 G HA3 0.247 4.206 3.960 -0.001 0.000 0.233 1253 G C 1.169 176.069 174.900 0.000 0.000 1.352 1253 G CA 0.364 45.464 45.100 0.001 0.000 0.879 1253 G HN 1.834 nan 8.290 nan 0.000 0.567 1254 G N -0.914 107.886 108.800 0.000 0.000 2.416 1254 G HA2 0.322 4.281 3.960 -0.001 0.000 0.301 1254 G HA3 0.322 4.281 3.960 -0.001 0.000 0.301 1254 G C 2.273 177.173 174.900 0.000 0.000 0.985 1254 G CA 1.193 46.293 45.100 0.000 0.000 0.934 1254 G HN 2.996 nan 8.290 nan 0.000 0.513 1255 G N -2.815 105.985 108.800 0.001 0.000 2.283 1255 G HA2 0.240 4.200 3.960 -0.001 0.000 0.280 1255 G HA3 0.240 4.200 3.960 -0.001 0.000 0.280 1255 G C 0.456 175.356 174.900 0.001 0.000 1.029 1255 G CA 1.643 46.744 45.100 0.001 0.000 0.840 1255 G HN 2.160 nan 8.290 nan 0.000 0.505 1256 R N -1.065 119.435 120.500 0.000 0.000 2.873 1256 R HA 0.943 5.282 4.340 -0.001 0.000 0.264 1256 R C 0.010 176.310 176.300 -0.000 0.000 1.026 1256 R CA -0.062 56.038 56.100 -0.000 0.000 1.002 1256 R CB 0.952 31.251 30.300 -0.001 0.000 1.174 1256 R HN 0.624 nan 8.270 nan 0.000 0.488 1257 Q N -0.026 119.773 119.800 -0.001 0.000 2.495 1257 Q HA 0.662 5.001 4.340 -0.001 0.000 0.287 1257 Q C -1.052 174.946 176.000 -0.003 0.000 1.078 1257 Q CA -1.098 54.705 55.803 -0.001 0.000 0.793 1257 Q CB 3.032 31.770 28.738 0.001 0.000 1.459 1257 Q HN 0.784 nan 8.270 nan 0.000 0.422 1258 R N 0.070 120.568 120.500 -0.004 0.000 2.629 1258 R HA 0.560 4.900 4.340 -0.001 0.000 0.266 1258 R C -1.768 174.526 176.300 -0.009 0.000 1.051 1258 R CA -0.666 55.429 56.100 -0.008 0.000 0.895 1258 R CB 0.983 31.278 30.300 -0.009 0.000 1.246 1258 R HN 0.554 nan 8.270 nan 0.000 0.459 1259 I N 3.110 123.670 120.570 -0.016 0.000 2.328 1259 I HA 0.289 4.459 4.170 -0.001 0.000 0.287 1259 I C -0.683 175.419 176.117 -0.026 0.000 1.012 1259 I CA -1.083 60.205 61.300 -0.021 0.000 1.195 1259 I CB 2.013 39.991 38.000 -0.036 0.000 1.350 1259 I HN 0.337 nan 8.210 nan 0.000 0.464 1260 V N 7.596 127.500 119.914 -0.017 0.000 2.284 1260 V HA 0.237 4.356 4.120 -0.001 0.000 0.274 1260 V C 0.227 176.313 176.094 -0.015 0.000 1.023 1260 V CA -0.726 61.564 62.300 -0.016 0.000 0.808 1260 V CB 1.201 33.019 31.823 -0.009 0.000 1.035 1260 V HN 0.387 nan 8.190 nan 0.000 0.445 1261 V N 4.198 124.096 119.914 -0.027 0.000 2.715 1261 V HA 0.259 4.378 4.120 -0.001 0.000 0.299 1261 V C 1.304 177.389 176.094 -0.015 0.000 1.054 1261 V CA 0.655 62.942 62.300 -0.023 0.000 1.077 1261 V CB 1.126 32.924 31.823 -0.042 0.000 0.972 1261 V HN 0.980 nan 8.190 nan 0.000 0.484 1262 T N -0.152 114.399 114.554 -0.004 0.000 3.016 1262 T HA 0.340 4.689 4.350 -0.001 0.000 0.271 1262 T C 0.197 174.899 174.700 0.002 0.000 0.968 1262 T CA -0.195 61.904 62.100 -0.002 0.000 0.891 1262 T CB 0.211 69.082 68.868 0.005 0.000 1.149 1262 T HN 0.638 nan 8.240 nan 0.000 0.524 1263 E N 1.966 122.170 120.200 0.006 0.000 2.432 1263 E HA 0.401 4.750 4.350 -0.001 0.000 0.272 1263 E C -0.296 176.308 176.600 0.007 0.000 0.937 1263 E CA -0.590 55.818 56.400 0.012 0.000 0.812 1263 E CB 1.684 31.399 29.700 0.026 0.000 1.377 1263 E HN 0.530 nan 8.360 nan 0.000 0.399 1264 I N -0.891 119.674 120.570 -0.009 0.000 3.211 1264 I HA 0.515 4.685 4.170 -0.001 0.000 0.297 1264 I C -2.227 173.877 176.117 -0.022 0.000 1.095 1264 I CA -2.191 59.096 61.300 -0.021 0.000 1.239 1264 I CB 0.021 37.996 38.000 -0.042 0.000 1.455 1264 I HN 0.147 nan 8.210 nan 0.000 0.630 1265 P HA 0.206 nan 4.420 nan 0.000 0.279 1265 P C -0.965 176.272 177.300 -0.106 0.000 1.276 1265 P CA -0.346 62.696 63.100 -0.097 0.000 0.801 1265 P CB 0.393 32.026 31.700 -0.111 0.000 1.127 1266 F N 1.162 120.881 119.950 -0.384 0.000 2.456 1266 F HA 0.138 4.665 4.527 -0.001 0.000 0.358 1266 F C 1.082 176.770 175.800 -0.187 0.000 1.095 1266 F CA 0.622 58.429 58.000 -0.321 0.000 1.216 1266 F CB -0.076 38.579 39.000 -0.574 0.000 1.125 1266 F HN 0.459 nan 8.300 nan 0.000 0.549 1267 Q N 2.250 121.391 119.800 -1.099 0.000 2.504 1267 Q HA -0.120 4.219 4.340 -0.001 0.000 0.269 1267 Q C -1.180 174.628 176.000 -0.321 0.000 0.970 1267 Q CA 0.467 55.806 55.803 -0.773 0.000 1.064 1267 Q CB -1.544 26.738 28.738 -0.760 0.000 1.355 1267 Q HN 0.437 nan 8.270 nan 0.000 0.557 1268 V N 2.122 121.898 119.914 -0.229 0.000 2.294 1268 V HA 0.181 4.300 4.120 -0.001 0.000 0.272 1268 V C 0.433 176.464 176.094 -0.105 0.000 1.027 1268 V CA -0.678 61.541 62.300 -0.134 0.000 0.823 1268 V CB 1.335 33.093 31.823 -0.108 0.000 1.030 1268 V HN 0.235 nan 8.190 nan 0.000 0.457 1269 N N 4.419 123.067 118.700 -0.087 0.000 2.394 1269 N HA -0.055 4.685 4.740 -0.001 0.000 0.277 1269 N C 1.194 176.659 175.510 -0.075 0.000 1.346 1269 N CA 0.494 53.499 53.050 -0.074 0.000 0.910 1269 N CB 0.529 38.984 38.487 -0.053 0.000 1.201 1269 N HN 0.727 nan 8.380 nan 0.000 0.488 1270 K N 3.863 124.208 120.400 -0.091 0.000 2.000 1270 K HA -0.231 4.088 4.320 -0.001 0.000 0.218 1270 K C 1.467 178.027 176.600 -0.067 0.000 1.053 1270 K CA 2.087 58.323 56.287 -0.084 0.000 0.946 1270 K CB -0.230 32.210 32.500 -0.101 0.000 0.723 1270 K HN 0.607 nan 8.250 nan 0.000 0.446 1271 A N 0.373 123.156 122.820 -0.062 0.000 2.119 1271 A HA -0.066 4.253 4.320 -0.001 0.000 0.217 1271 A C 1.986 179.545 177.584 -0.042 0.000 1.153 1271 A CA 1.181 53.188 52.037 -0.049 0.000 0.692 1271 A CB -0.315 18.658 19.000 -0.044 0.000 0.799 1271 A HN 0.373 nan 8.150 nan 0.000 0.458 1272 R N -1.150 119.324 120.500 -0.043 0.000 2.276 1272 R HA 0.226 4.565 4.340 -0.001 0.000 0.196 1272 R C 1.878 178.155 176.300 -0.038 0.000 0.961 1272 R CA 0.623 56.701 56.100 -0.036 0.000 1.024 1272 R CB -0.204 30.077 30.300 -0.032 0.000 0.940 1272 R HN 0.600 nan 8.270 nan 0.000 0.480 1273 M N -0.365 119.208 119.600 -0.046 0.000 2.334 1273 M HA -0.002 4.478 4.480 -0.001 0.000 0.266 1273 M C 1.323 177.594 176.300 -0.048 0.000 1.082 1273 M CA 1.434 56.704 55.300 -0.049 0.000 1.141 1273 M CB 0.274 32.839 32.600 -0.057 0.000 1.380 1273 M HN 0.182 nan 8.290 nan 0.000 0.440 1274 I N -0.069 120.474 120.570 -0.046 0.000 2.480 1274 I HA -0.160 4.009 4.170 -0.001 0.000 0.251 1274 I C 1.966 178.062 176.117 -0.035 0.000 1.124 1274 I CA 0.709 61.984 61.300 -0.043 0.000 1.444 1274 I CB -0.198 37.777 38.000 -0.042 0.000 1.098 1274 I HN 0.219 nan 8.210 nan 0.000 0.428 1275 E N 1.771 121.952 120.200 -0.032 0.000 2.409 1275 E HA -0.162 4.187 4.350 -0.001 0.000 0.198 1275 E C 2.039 178.624 176.600 -0.025 0.000 1.024 1275 E CA 1.214 57.599 56.400 -0.026 0.000 0.861 1275 E CB -0.118 29.568 29.700 -0.023 0.000 0.788 1275 E HN 0.366 nan 8.360 nan 0.000 0.521 1276 K N 0.127 120.509 120.400 -0.029 0.000 2.211 1276 K HA 0.118 4.437 4.320 -0.001 0.000 0.201 1276 K C 1.924 178.505 176.600 -0.030 0.000 1.052 1276 K CA 1.082 57.352 56.287 -0.028 0.000 0.973 1276 K CB -0.473 32.008 32.500 -0.032 0.000 0.766 1276 K HN 0.255 nan 8.250 nan 0.000 0.466 1277 I N 0.117 120.666 120.570 -0.036 0.000 2.852 1277 I HA 0.083 4.253 4.170 -0.001 0.000 0.264 1277 I C 2.878 178.977 176.117 -0.030 0.000 1.179 1277 I CA 0.710 61.987 61.300 -0.038 0.000 1.480 1277 I CB 0.149 38.120 38.000 -0.048 0.000 1.111 1277 I HN 0.256 nan 8.210 nan 0.000 0.441 1278 A N 1.206 124.009 122.820 -0.028 0.000 1.877 1278 A HA -0.265 4.055 4.320 -0.001 0.000 0.216 1278 A C 2.363 179.936 177.584 -0.019 0.000 1.186 1278 A CA 2.032 54.055 52.037 -0.023 0.000 0.620 1278 A CB -0.685 18.302 19.000 -0.022 0.000 0.822 1278 A HN 0.529 nan 8.150 nan 0.000 0.443 1279 E N 0.013 120.202 120.200 -0.019 0.000 2.085 1279 E HA -0.210 4.139 4.350 -0.001 0.000 0.194 1279 E C 1.909 178.500 176.600 -0.014 0.000 0.994 1279 E CA 1.439 57.830 56.400 -0.015 0.000 0.801 1279 E CB -0.258 29.433 29.700 -0.015 0.000 0.743 1279 E HN 0.640 nan 8.360 nan 0.000 0.453 1280 L N 0.363 121.576 121.223 -0.017 0.000 2.044 1280 L HA -0.131 4.209 4.340 -0.001 0.000 0.205 1280 L C 2.637 179.498 176.870 -0.015 0.000 1.075 1280 L CA 0.749 55.579 54.840 -0.016 0.000 0.747 1280 L CB -0.340 41.707 42.059 -0.020 0.000 0.903 1280 L HN 0.097 nan 8.230 nan 0.000 0.435 1281 V N -0.043 119.861 119.914 -0.017 0.000 2.307 1281 V HA -0.264 3.855 4.120 -0.001 0.000 0.245 1281 V C 2.582 178.668 176.094 -0.012 0.000 1.045 1281 V CA 1.880 64.171 62.300 -0.015 0.000 1.024 1281 V CB -0.769 31.044 31.823 -0.018 0.000 0.651 1281 V HN 0.472 nan 8.190 nan 0.000 0.449 1282 R N 0.153 120.646 120.500 -0.012 0.000 2.189 1282 R HA -0.144 4.196 4.340 -0.001 0.000 0.223 1282 R C 1.206 177.501 176.300 -0.008 0.000 1.092 1282 R CA 1.571 57.665 56.100 -0.010 0.000 0.989 1282 R CB -0.179 30.115 30.300 -0.010 0.000 0.876 1282 R HN 0.449 nan 8.270 nan 0.000 0.457 1283 D N 0.400 120.794 120.400 -0.009 0.000 2.328 1283 D HA 0.057 4.696 4.640 -0.001 0.000 0.221 1283 D C -0.260 176.036 176.300 -0.006 0.000 1.072 1283 D CA 0.194 54.190 54.000 -0.007 0.000 0.850 1283 D CB 0.261 41.057 40.800 -0.007 0.000 0.922 1283 D HN 0.005 nan 8.370 nan 0.000 0.516 1284 K N -0.443 119.953 120.400 -0.007 0.000 3.078 1284 K HA -0.266 4.054 4.320 -0.001 0.000 0.261 1284 K C 0.817 177.414 176.600 -0.005 0.000 0.947 1284 K CA 0.490 56.773 56.287 -0.006 0.000 0.702 1284 K CB -0.724 31.773 32.500 -0.005 0.000 1.318 1284 K HN 0.185 nan 8.250 nan 0.000 0.473 1285 K N -0.472 119.924 120.400 -0.006 0.000 2.348 1285 K HA 0.264 4.584 4.320 -0.001 0.000 0.194 1285 K C 0.622 177.219 176.600 -0.006 0.000 1.052 1285 K CA 0.435 56.718 56.287 -0.005 0.000 1.004 1285 K CB 0.448 32.944 32.500 -0.006 0.000 0.873 1285 K HN 0.356 nan 8.250 nan 0.000 0.523 1286 I N 0.916 121.481 120.570 -0.008 0.000 2.994 1286 I HA 0.189 4.359 4.170 -0.001 0.000 0.306 1286 I C -2.074 174.037 176.117 -0.010 0.000 1.195 1286 I CA -0.884 60.411 61.300 -0.009 0.000 1.001 1286 I CB 2.062 40.054 38.000 -0.014 0.000 1.244 1286 I HN -0.022 nan 8.210 nan 0.000 0.437 1287 D N 3.176 123.571 120.400 -0.009 0.000 2.579 1287 D HA 0.519 5.158 4.640 -0.001 0.000 0.257 1287 D C 0.313 176.608 176.300 -0.009 0.000 1.176 1287 D CA -0.064 53.931 54.000 -0.008 0.000 0.914 1287 D CB 1.359 42.156 40.800 -0.005 0.000 1.431 1287 D HN 0.966 nan 8.370 nan 0.000 0.454 1288 G N -0.504 108.291 108.800 -0.008 0.000 2.143 1288 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.248 1288 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.248 1288 G C -0.160 174.733 174.900 -0.010 0.000 0.991 1288 G CA 0.288 45.384 45.100 -0.008 0.000 0.689 1288 G HN 0.550 nan 8.290 nan 0.000 0.522 1289 I N 1.302 121.864 120.570 -0.013 0.000 2.339 1289 I HA 0.343 4.512 4.170 -0.001 0.000 0.290 1289 I C 1.748 177.856 176.117 -0.014 0.000 0.994 1289 I CA -0.074 61.216 61.300 -0.016 0.000 1.191 1289 I CB 1.687 39.673 38.000 -0.022 0.000 1.343 1289 I HN 0.227 nan 8.210 nan 0.000 0.458 1290 T N 0.705 115.251 114.554 -0.013 0.000 2.894 1290 T HA 0.038 4.388 4.350 -0.001 0.000 0.258 1290 T C 0.348 175.040 174.700 -0.013 0.000 1.043 1290 T CA 0.725 62.819 62.100 -0.012 0.000 1.141 1290 T CB 0.163 69.025 68.868 -0.010 0.000 0.873 1290 T HN 0.587 nan 8.240 nan 0.000 0.449 1291 D N -0.944 119.447 120.400 -0.015 0.000 2.609 1291 D HA 0.545 5.185 4.640 -0.001 0.000 0.239 1291 D C -2.230 174.058 176.300 -0.020 0.000 1.229 1291 D CA -0.759 53.231 54.000 -0.016 0.000 0.808 1291 D CB 1.915 42.706 40.800 -0.014 0.000 1.448 1291 D HN 0.177 nan 8.370 nan 0.000 0.433 1292 L N 2.333 123.543 121.223 -0.022 0.000 2.457 1292 L HA 0.545 4.884 4.340 -0.001 0.000 0.266 1292 L C -1.208 175.647 176.870 -0.025 0.000 0.979 1292 L CA -0.238 54.586 54.840 -0.026 0.000 0.857 1292 L CB 1.059 43.100 42.059 -0.029 0.000 1.213 1292 L HN 0.461 nan 8.230 nan 0.000 0.418 1293 R N 2.357 122.842 120.500 -0.025 0.000 2.514 1293 R HA 0.503 4.843 4.340 -0.001 0.000 0.301 1293 R C -1.112 175.172 176.300 -0.026 0.000 0.962 1293 R CA -0.992 55.094 56.100 -0.023 0.000 0.882 1293 R CB 1.927 32.215 30.300 -0.019 0.000 1.143 1293 R HN 0.423 nan 8.270 nan 0.000 0.452 1294 D N 1.921 122.305 120.400 -0.027 0.000 2.280 1294 D HA 0.074 4.714 4.640 -0.001 0.000 0.243 1294 D C -0.129 176.156 176.300 -0.025 0.000 1.129 1294 D CA -0.071 53.911 54.000 -0.030 0.000 0.848 1294 D CB 1.090 41.870 40.800 -0.034 0.000 1.107 1294 D HN 0.567 nan 8.370 nan 0.000 0.471 1295 E N 1.580 121.766 120.200 -0.023 0.000 2.693 1295 E HA 0.070 4.420 4.350 -0.001 0.000 0.214 1295 E C -0.165 176.423 176.600 -0.019 0.000 0.990 1295 E CA -0.222 56.167 56.400 -0.019 0.000 1.047 1295 E CB 0.801 30.492 29.700 -0.015 0.000 1.039 1295 E HN 0.301 nan 8.360 nan 0.000 0.475 1296 T N 2.059 116.599 114.554 -0.024 0.000 2.831 1296 T HA 0.061 4.411 4.350 -0.001 0.000 0.291 1296 T C -0.043 174.644 174.700 -0.021 0.000 0.981 1296 T CA 0.313 62.398 62.100 -0.025 0.000 1.174 1296 T CB 0.231 69.077 68.868 -0.037 0.000 0.929 1296 T HN 0.105 nan 8.240 nan 0.000 0.532 1297 S N 4.075 119.766 115.700 -0.014 0.000 2.526 1297 S HA 0.479 4.948 4.470 -0.001 0.000 0.293 1297 S C 0.293 174.891 174.600 -0.004 0.000 1.092 1297 S CA -1.092 57.102 58.200 -0.009 0.000 0.980 1297 S CB 1.280 64.477 63.200 -0.005 0.000 1.048 1297 S HN 0.570 nan 8.310 nan 0.000 0.483 1298 L N 1.840 123.063 121.223 -0.000 0.000 2.994 1298 L HA 0.250 4.590 4.340 -0.001 0.000 0.256 1298 L C 1.711 178.586 176.870 0.010 0.000 1.315 1298 L CA 0.072 54.916 54.840 0.007 0.000 1.143 1298 L CB -0.999 41.068 42.059 0.012 0.000 1.530 1298 L HN 0.860 nan 8.230 nan 0.000 0.422 1299 R N -3.504 117.000 120.500 0.006 0.000 2.637 1299 R HA 0.111 4.450 4.340 -0.001 0.000 0.262 1299 R C 0.982 177.286 176.300 0.007 0.000 0.959 1299 R CA 0.382 56.487 56.100 0.007 0.000 1.061 1299 R CB 0.130 30.433 30.300 0.006 0.000 1.610 1299 R HN -0.076 nan 8.270 nan 0.000 0.548 1300 T N -0.551 114.006 114.554 0.004 0.000 2.964 1300 T HA 0.470 4.820 4.350 -0.001 0.000 0.250 1300 T C 0.473 175.175 174.700 0.004 0.000 0.982 1300 T CA 0.570 62.672 62.100 0.003 0.000 0.959 1300 T CB 0.849 69.716 68.868 -0.001 0.000 1.141 1300 T HN 0.617 nan 8.240 nan 0.000 0.494 1301 G N 1.341 110.143 108.800 0.003 0.000 2.757 1301 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.638 1301 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.638 1301 G C -0.359 174.536 174.900 -0.007 0.000 1.344 1301 G CA -0.737 44.365 45.100 0.003 0.000 0.855 1301 G HN 0.412 nan 8.290 nan 0.000 0.537 1302 V N 0.284 120.191 119.914 -0.011 0.000 3.061 1302 V HA 0.470 4.590 4.120 -0.001 0.000 0.306 1302 V C 1.037 177.120 176.094 -0.018 0.000 1.118 1302 V CA 1.531 63.817 62.300 -0.023 0.000 1.231 1302 V CB 1.249 33.055 31.823 -0.027 0.000 0.956 1302 V HN 1.269 nan 8.190 nan 0.000 0.499 1303 R N 2.042 122.527 120.500 -0.024 0.000 3.179 1303 R HA 0.366 4.706 4.340 -0.001 0.000 0.288 1303 R C -2.264 174.020 176.300 -0.027 0.000 1.263 1303 R CA -0.341 55.747 56.100 -0.021 0.000 1.013 1303 R CB 1.069 31.360 30.300 -0.015 0.000 1.379 1303 R HN 0.489 nan 8.270 nan 0.000 0.367 1304 V N 4.965 124.860 119.914 -0.031 0.000 2.318 1304 V HA 0.315 4.435 4.120 -0.001 0.000 0.271 1304 V C 0.240 176.314 176.094 -0.033 0.000 1.030 1304 V CA -0.703 61.575 62.300 -0.036 0.000 0.844 1304 V CB 1.419 33.215 31.823 -0.045 0.000 1.015 1304 V HN 0.426 nan 8.190 nan 0.000 0.460 1305 V N 6.954 126.851 119.914 -0.028 0.000 2.461 1305 V HA 0.381 4.501 4.120 -0.001 0.000 0.275 1305 V C 0.137 176.214 176.094 -0.027 0.000 1.047 1305 V CA -0.070 62.216 62.300 -0.024 0.000 0.955 1305 V CB 1.255 33.067 31.823 -0.019 0.000 0.988 1305 V HN 0.646 nan 8.190 nan 0.000 0.471 1306 I N 4.000 124.553 120.570 -0.029 0.000 2.382 1306 I HA 0.350 4.520 4.170 -0.001 0.000 0.286 1306 I C -0.490 175.613 176.117 -0.023 0.000 1.002 1306 I CA -0.607 60.675 61.300 -0.031 0.000 1.135 1306 I CB 1.723 39.698 38.000 -0.041 0.000 1.288 1306 I HN 0.483 nan 8.210 nan 0.000 0.448 1307 D N 5.651 126.039 120.400 -0.020 0.000 2.351 1307 D HA 0.299 4.939 4.640 -0.001 0.000 0.251 1307 D C -0.389 175.902 176.300 -0.015 0.000 1.137 1307 D CA 0.153 54.144 54.000 -0.015 0.000 0.879 1307 D CB 1.817 42.609 40.800 -0.013 0.000 1.181 1307 D HN 0.037 nan 8.370 nan 0.000 0.448 1308 V N 2.292 122.199 119.914 -0.012 0.000 2.581 1308 V HA 0.690 4.810 4.120 -0.001 0.000 0.303 1308 V C 0.970 177.059 176.094 -0.007 0.000 1.041 1308 V CA -0.906 61.388 62.300 -0.010 0.000 0.907 1308 V CB 1.448 33.266 31.823 -0.008 0.000 0.994 1308 V HN 0.611 nan 8.190 nan 0.000 0.442 1309 R N 2.269 122.765 120.500 -0.007 0.000 2.615 1309 R HA 0.689 5.029 4.340 -0.001 0.000 0.270 1309 R C 0.432 176.731 176.300 -0.003 0.000 1.081 1309 R CA 0.199 56.296 56.100 -0.005 0.000 1.154 1309 R CB -0.250 30.047 30.300 -0.005 0.000 1.063 1309 R HN 1.109 nan 8.270 nan 0.000 0.519 1310 K N 0.597 120.996 120.400 -0.002 0.000 2.230 1310 K HA 0.284 4.604 4.320 -0.001 0.000 0.253 1310 K C 0.811 177.411 176.600 -0.001 0.000 1.008 1310 K CA 0.563 56.849 56.287 -0.001 0.000 0.910 1310 K CB -0.029 32.470 32.500 -0.001 0.000 0.994 1310 K HN 0.985 nan 8.250 nan 0.000 0.495 1311 D N -1.478 118.923 120.400 0.000 0.000 4.082 1311 D HA -0.217 4.423 4.640 -0.001 0.000 0.219 1311 D C 0.732 177.033 176.300 0.001 0.000 1.343 1311 D CA 2.678 56.679 54.000 0.001 0.000 2.348 1311 D CB -1.603 39.198 40.800 0.001 0.000 1.236 1311 D HN 1.465 nan 8.370 nan 0.000 0.406 1312 A N 1.195 124.015 122.820 0.001 0.000 2.587 1312 A HA 0.166 4.485 4.320 -0.001 0.000 0.235 1312 A C 0.408 177.994 177.584 0.002 0.000 1.044 1312 A CA 0.814 52.852 52.037 0.001 0.000 0.754 1312 A CB -0.120 18.880 19.000 -0.001 0.000 0.968 1312 A HN 0.410 nan 8.150 nan 0.000 0.509 1313 N N 1.347 120.050 118.700 0.004 0.000 2.488 1313 N HA 0.443 5.183 4.740 -0.001 0.000 0.274 1313 N C 0.841 176.355 175.510 0.007 0.000 1.111 1313 N CA 0.554 53.608 53.050 0.007 0.000 0.974 1313 N CB 1.142 39.634 38.487 0.009 0.000 1.089 1313 N HN 0.610 nan 8.380 nan 0.000 0.465 1314 A N 2.080 124.905 122.820 0.008 0.000 1.911 1314 A HA -0.004 4.316 4.320 -0.001 0.000 0.212 1314 A C 1.970 179.563 177.584 0.015 0.000 1.189 1314 A CA 0.915 52.956 52.037 0.007 0.000 0.639 1314 A CB -0.638 18.364 19.000 0.004 0.000 0.839 1314 A HN 0.677 nan 8.150 nan 0.000 0.449 1315 S N 0.385 116.100 115.700 0.025 0.000 2.374 1315 S HA -0.191 4.279 4.470 -0.001 0.000 0.227 1315 S C 1.842 176.472 174.600 0.050 0.000 1.037 1315 S CA 1.493 59.720 58.200 0.044 0.000 1.024 1315 S CB -0.867 62.356 63.200 0.038 0.000 0.861 1315 S HN 0.310 nan 8.310 nan 0.000 0.456 1316 V N 2.935 122.868 119.914 0.033 0.000 2.220 1316 V HA -0.284 3.835 4.120 -0.001 0.000 0.250 1316 V C 2.149 178.261 176.094 0.031 0.000 1.053 1316 V CA 2.303 64.622 62.300 0.030 0.000 1.019 1316 V CB -0.890 30.944 31.823 0.018 0.000 0.646 1316 V HN 0.502 nan 8.190 nan 0.000 0.455 1317 I N -0.625 119.952 120.570 0.013 0.000 2.502 1317 I HA -0.263 3.907 4.170 -0.001 0.000 0.258 1317 I C 2.294 178.400 176.117 -0.018 0.000 1.172 1317 I CA 1.144 62.441 61.300 -0.004 0.000 1.430 1317 I CB -0.500 37.491 38.000 -0.014 0.000 1.086 1317 I HN 0.319 nan 8.210 nan 0.000 0.440 1318 L N 1.210 122.435 121.223 0.004 0.000 1.982 1318 L HA -0.119 4.221 4.340 -0.001 0.000 0.206 1318 L C 2.077 178.990 176.870 0.072 0.000 1.078 1318 L CA 1.920 56.753 54.840 -0.012 0.000 0.749 1318 L CB -0.720 41.386 42.059 0.078 0.000 0.894 1318 L HN 0.147 nan 8.230 nan 0.000 0.436 1319 N N 0.279 119.118 118.700 0.233 0.000 2.573 1319 N HA -0.110 4.629 4.740 -0.001 0.000 0.187 1319 N C 0.952 176.591 175.510 0.215 0.000 1.107 1319 N CA 0.545 53.813 53.050 0.362 0.000 0.918 1319 N CB -0.392 38.202 38.487 0.178 0.000 0.966 1319 N HN 0.477 nan 8.380 nan 0.000 0.448 1320 N N -0.110 118.651 118.700 0.102 0.000 2.392 1320 N HA 0.111 4.850 4.740 -0.001 0.000 0.177 1320 N C 1.526 177.047 175.510 0.017 0.000 1.066 1320 N CA 0.070 53.152 53.050 0.054 0.000 0.895 1320 N CB 0.257 38.760 38.487 0.026 0.000 0.988 1320 N HN 0.255 nan 8.380 nan 0.000 0.457 1321 L N -0.496 120.699 121.223 -0.048 0.000 2.446 1321 L HA 0.053 4.392 4.340 -0.001 0.000 0.219 1321 L C 1.368 178.142 176.870 -0.159 0.000 1.116 1321 L CA 0.463 55.222 54.840 -0.135 0.000 0.844 1321 L CB -0.102 41.821 42.059 -0.227 0.000 0.970 1321 L HN 0.057 nan 8.230 nan 0.000 0.457 1322 Y N 0.234 120.528 120.300 -0.010 0.000 2.243 1322 Y HA -0.145 4.405 4.550 -0.001 0.000 0.293 1322 Y C 2.517 178.411 175.900 -0.009 0.000 1.124 1322 Y CA 1.040 59.134 58.100 -0.010 0.000 1.159 1322 Y CB -0.217 38.239 38.460 -0.008 0.000 1.008 1322 Y HN -0.020 nan 8.280 nan 0.000 0.527 1323 K N 0.187 120.680 120.400 0.155 0.000 1.965 1323 K HA -0.232 4.088 4.320 -0.001 0.000 0.214 1323 K C 1.987 178.614 176.600 0.043 0.000 1.046 1323 K CA 2.068 58.404 56.287 0.081 0.000 0.944 1323 K CB -0.364 32.173 32.500 0.061 0.000 0.726 1323 K HN 0.363 nan 8.250 nan 0.000 0.441 1324 Q N 0.135 119.949 119.800 0.024 0.000 2.311 1324 Q HA -0.037 4.302 4.340 -0.001 0.000 0.203 1324 Q C 0.651 176.647 176.000 -0.007 0.000 0.954 1324 Q CA 0.982 56.788 55.803 0.005 0.000 0.885 1324 Q CB 0.300 29.036 28.738 -0.003 0.000 0.963 1324 Q HN 0.394 nan 8.270 nan 0.000 0.471 1325 T N -3.881 110.664 114.554 -0.016 0.000 2.926 1325 T HA 0.339 4.688 4.350 -0.001 0.000 0.289 1325 T C -2.506 172.182 174.700 -0.021 0.000 1.054 1325 T CA -2.335 59.747 62.100 -0.030 0.000 1.015 1325 T CB 1.755 70.589 68.868 -0.056 0.000 1.167 1325 T HN -0.321 nan 8.240 nan 0.000 0.526 1326 P HA 0.131 nan 4.420 nan 0.000 0.239 1326 P C 1.474 178.759 177.300 -0.026 0.000 1.184 1326 P CA 0.021 63.108 63.100 -0.022 0.000 0.760 1326 P CB -0.141 31.538 31.700 -0.035 0.000 0.884 1327 L N -0.949 120.243 121.223 -0.052 0.000 2.357 1327 L HA -0.163 4.177 4.340 -0.001 0.000 0.220 1327 L C 0.994 177.889 176.870 0.042 0.000 1.123 1327 L CA 1.646 56.441 54.840 -0.075 0.000 0.782 1327 L CB -0.271 41.651 42.059 -0.229 0.000 0.910 1327 L HN 0.029 nan 8.230 nan 0.000 0.442 1328 Q N -0.920 118.932 119.800 0.087 0.000 2.275 1328 Q HA 0.393 4.733 4.340 -0.001 0.000 0.266 1328 Q C -1.184 174.851 176.000 0.059 0.000 1.002 1328 Q CA -0.464 55.421 55.803 0.136 0.000 0.761 1328 Q CB 1.621 30.517 28.738 0.263 0.000 1.255 1328 Q HN 0.034 nan 8.270 nan 0.000 0.446 1329 T N 1.312 115.882 114.554 0.027 0.000 2.838 1329 T HA 0.711 5.060 4.350 -0.001 0.000 0.292 1329 T C -1.243 173.469 174.700 0.020 0.000 1.113 1329 T CA -0.723 61.385 62.100 0.013 0.000 1.008 1329 T CB 1.652 70.514 68.868 -0.010 0.000 1.259 1329 T HN 0.615 nan 8.240 nan 0.000 0.520 1330 S N 0.590 116.316 115.700 0.044 0.000 2.594 1330 S HA 0.693 5.162 4.470 -0.001 0.000 0.296 1330 S C -1.293 173.397 174.600 0.151 0.000 1.124 1330 S CA -0.767 57.478 58.200 0.076 0.000 1.011 1330 S CB 0.864 64.092 63.200 0.046 0.000 1.016 1330 S HN 0.498 nan 8.310 nan 0.000 0.485 1331 F N 3.329 123.284 119.950 0.008 0.000 2.421 1331 F HA 0.593 5.120 4.527 -0.001 0.000 0.358 1331 F C 0.973 176.808 175.800 0.059 0.000 1.115 1331 F CA -0.770 57.267 58.000 0.062 0.000 1.160 1331 F CB 0.844 39.937 39.000 0.155 0.000 1.123 1331 F HN 0.888 nan 8.300 nan 0.000 0.508 1332 G N 6.441 115.017 108.800 -0.373 0.000 3.209 1332 G HA2 0.350 4.310 3.960 -0.001 0.000 0.274 1332 G HA3 0.350 4.310 3.960 -0.001 0.000 0.274 1332 G C -0.441 174.243 174.900 -0.360 0.000 0.850 1332 G CA -0.432 44.504 45.100 -0.273 0.000 1.907 1332 G HN 0.507 nan 8.290 nan 0.000 0.591 1333 V N 2.003 121.759 119.914 -0.263 0.000 2.584 1333 V HA 0.007 4.126 4.120 -0.001 0.000 0.303 1333 V C 0.653 176.689 176.094 -0.098 0.000 1.035 1333 V CA 0.336 62.540 62.300 -0.161 0.000 1.172 1333 V CB 0.422 32.248 31.823 0.006 0.000 0.896 1333 V HN 0.782 nan 8.190 nan 0.000 0.486 1334 N N 5.606 124.260 118.700 -0.077 0.000 2.969 1334 N HA 0.206 4.946 4.740 -0.001 0.000 0.230 1334 N C -0.773 174.732 175.510 -0.009 0.000 1.397 1334 N CA -0.542 52.484 53.050 -0.041 0.000 0.762 1334 N CB 0.760 39.210 38.487 -0.062 0.000 1.495 1334 N HN 0.634 nan 8.380 nan 0.000 0.583 1335 M N 4.389 124.001 119.600 0.021 0.000 3.396 1335 M HA 0.318 4.798 4.480 -0.001 0.000 0.255 1335 M C -0.119 176.198 176.300 0.029 0.000 1.398 1335 M CA 0.039 55.362 55.300 0.039 0.000 1.554 1335 M CB -0.150 32.489 32.600 0.064 0.000 1.070 1335 M HN 0.311 nan 8.290 nan 0.000 0.587 1336 I N 2.172 122.753 120.570 0.017 0.000 2.269 1336 I HA 0.370 4.540 4.170 -0.001 0.000 0.293 1336 I C 0.382 176.505 176.117 0.011 0.000 1.106 1336 I CA -0.405 60.902 61.300 0.011 0.000 1.248 1336 I CB 0.326 38.327 38.000 0.002 0.000 1.444 1336 I HN 0.481 nan 8.210 nan 0.000 0.497 1337 A N 6.848 129.677 122.820 0.015 0.000 2.337 1337 A HA 0.734 5.053 4.320 -0.001 0.000 0.331 1337 A C -0.449 177.134 177.584 -0.002 0.000 1.137 1337 A CA -0.649 51.394 52.037 0.010 0.000 0.807 1337 A CB 1.048 20.059 19.000 0.020 0.000 1.250 1337 A HN 0.657 nan 8.150 nan 0.000 0.468 1338 L N 2.107 123.321 121.223 -0.015 0.000 2.433 1338 L HA 0.286 4.625 4.340 -0.001 0.000 0.284 1338 L C -0.839 176.007 176.870 -0.039 0.000 1.120 1338 L CA -0.135 54.686 54.840 -0.031 0.000 0.879 1338 L CB 0.417 42.452 42.059 -0.040 0.000 1.232 1338 L HN 0.415 nan 8.230 nan 0.000 0.454 1339 V N 3.678 123.565 119.914 -0.044 0.000 2.384 1339 V HA 0.319 4.439 4.120 -0.001 0.000 0.287 1339 V C 0.306 176.342 176.094 -0.098 0.000 1.020 1339 V CA -0.731 61.523 62.300 -0.075 0.000 0.850 1339 V CB 1.375 33.151 31.823 -0.078 0.000 0.987 1339 V HN 0.844 nan 8.190 nan 0.000 0.436 1340 N N 3.685 122.320 118.700 -0.108 0.000 2.741 1340 N HA -0.212 4.527 4.740 -0.001 0.000 0.251 1340 N C 1.086 176.553 175.510 -0.071 0.000 1.112 1340 N CA 1.971 54.965 53.050 -0.094 0.000 0.750 1340 N CB -1.212 37.211 38.487 -0.107 0.000 1.119 1340 N HN 1.510 nan 8.380 nan 0.000 0.561 1341 G N -3.707 105.054 108.800 -0.066 0.000 2.213 1341 G HA2 -0.023 3.937 3.960 -0.001 0.000 0.226 1341 G HA3 -0.023 3.937 3.960 -0.001 0.000 0.226 1341 G C 0.205 175.072 174.900 -0.056 0.000 0.992 1341 G CA 0.975 46.041 45.100 -0.058 0.000 0.632 1341 G HN 0.919 nan 8.290 nan 0.000 0.511 1342 R N 0.200 120.666 120.500 -0.056 0.000 2.902 1342 R HA 0.926 5.265 4.340 -0.001 0.000 0.258 1342 R C -3.130 173.143 176.300 -0.046 0.000 1.071 1342 R CA -1.131 54.937 56.100 -0.053 0.000 1.024 1342 R CB 0.037 30.307 30.300 -0.051 0.000 1.184 1342 R HN 0.197 nan 8.270 nan 0.000 0.492 1343 P HA 0.365 nan 4.420 nan 0.000 0.275 1343 P C -1.258 176.030 177.300 -0.021 0.000 1.227 1343 P CA -0.274 62.806 63.100 -0.032 0.000 0.781 1343 P CB 0.801 32.478 31.700 -0.037 0.000 0.906 1344 K N 2.252 122.647 120.400 -0.008 0.000 2.571 1344 K HA 0.317 4.637 4.320 -0.001 0.000 0.252 1344 K C -1.283 175.329 176.600 0.019 0.000 0.956 1344 K CA -0.848 55.442 56.287 0.006 0.000 0.822 1344 K CB 2.314 34.820 32.500 0.010 0.000 1.286 1344 K HN 0.330 nan 8.250 nan 0.000 0.439 1345 L N 5.364 126.600 121.223 0.021 0.000 2.305 1345 L HA 0.522 4.862 4.340 -0.001 0.000 0.281 1345 L C -0.253 176.640 176.870 0.038 0.000 1.085 1345 L CA 0.039 54.895 54.840 0.026 0.000 0.813 1345 L CB 0.277 42.348 42.059 0.020 0.000 1.157 1345 L HN 0.641 nan 8.230 nan 0.000 0.436 1346 I N 1.344 121.940 120.570 0.043 0.000 3.466 1346 I HA 0.700 4.870 4.170 -0.001 0.000 0.311 1346 I C -1.059 175.080 176.117 0.036 0.000 1.155 1346 I CA -1.123 60.204 61.300 0.045 0.000 0.959 1346 I CB 2.284 40.318 38.000 0.056 0.000 1.332 1346 I HN 0.693 nan 8.210 nan 0.000 0.483 1347 N N 0.068 118.776 118.700 0.013 0.000 2.653 1347 N HA 0.478 5.217 4.740 -0.001 0.000 0.294 1347 N C 0.237 175.727 175.510 -0.033 0.000 1.305 1347 N CA -0.972 52.091 53.050 0.022 0.000 0.827 1347 N CB 1.212 39.712 38.487 0.022 0.000 1.415 1347 N HN 0.645 nan 8.380 nan 0.000 0.546 1348 L N 0.574 121.773 121.223 -0.041 0.000 1.990 1348 L HA -0.127 4.212 4.340 -0.001 0.000 0.213 1348 L C 2.258 179.020 176.870 -0.180 0.000 1.072 1348 L CA 1.963 56.683 54.840 -0.200 0.000 0.755 1348 L CB -0.778 41.061 42.059 -0.365 0.000 0.889 1348 L HN 0.811 nan 8.230 nan 0.000 0.432 1349 K N -0.476 119.847 120.400 -0.128 0.000 1.971 1349 K HA -0.248 4.072 4.320 -0.001 0.000 0.221 1349 K C 1.979 178.469 176.600 -0.183 0.000 1.050 1349 K CA 2.149 58.359 56.287 -0.128 0.000 0.967 1349 K CB -0.445 32.004 32.500 -0.084 0.000 0.733 1349 K HN 0.381 nan 8.250 nan 0.000 0.445 1350 E N -0.196 119.886 120.200 -0.196 0.000 2.095 1350 E HA -0.347 4.002 4.350 -0.001 0.000 0.212 1350 E C 1.983 178.283 176.600 -0.499 0.000 1.044 1350 E CA 1.708 57.873 56.400 -0.393 0.000 0.857 1350 E CB -0.395 29.186 29.700 -0.198 0.000 0.764 1350 E HN 0.535 nan 8.360 nan 0.000 0.462 1351 A N 0.810 123.486 122.820 -0.241 0.000 1.884 1351 A HA -0.250 4.070 4.320 -0.001 0.000 0.219 1351 A C 2.245 179.748 177.584 -0.135 0.000 1.197 1351 A CA 2.120 54.062 52.037 -0.157 0.000 0.637 1351 A CB -0.873 18.051 19.000 -0.127 0.000 0.827 1351 A HN 0.199 nan 8.150 nan 0.000 0.450 1352 L N -1.078 120.057 121.223 -0.147 0.000 2.072 1352 L HA -0.080 4.260 4.340 -0.001 0.000 0.205 1352 L C 2.415 179.294 176.870 0.015 0.000 1.079 1352 L CA 0.844 55.654 54.840 -0.050 0.000 0.752 1352 L CB -0.883 41.125 42.059 -0.084 0.000 0.906 1352 L HN 0.179 nan 8.230 nan 0.000 0.436 1353 V N 0.075 119.922 119.914 -0.112 0.000 2.250 1353 V HA -0.357 3.762 4.120 -0.001 0.000 0.250 1353 V C 2.657 178.760 176.094 0.016 0.000 1.060 1353 V CA 2.114 64.356 62.300 -0.097 0.000 1.030 1353 V CB -0.794 30.910 31.823 -0.199 0.000 0.643 1353 V HN 0.518 nan 8.190 nan 0.000 0.445 1354 H N -2.221 116.873 119.070 0.039 0.000 2.524 1354 H HA -0.093 4.463 4.556 -0.001 0.000 0.282 1354 H C 1.867 177.236 175.328 0.067 0.000 1.016 1354 H CA 1.460 57.529 56.048 0.034 0.000 1.270 1354 H CB -0.415 29.358 29.762 0.019 0.000 1.394 1354 H HN 0.713 nan 8.280 nan 0.000 0.568 1355 Y N 0.757 121.095 120.300 0.063 0.000 2.301 1355 Y HA -0.004 4.545 4.550 -0.001 0.000 0.295 1355 Y C 2.277 178.213 175.900 0.061 0.000 1.119 1355 Y CA 0.293 58.421 58.100 0.046 0.000 1.162 1355 Y CB -0.297 38.152 38.460 -0.018 0.000 1.046 1355 Y HN 0.053 nan 8.280 nan 0.000 0.538 1356 L N 1.018 122.257 121.223 0.027 0.000 2.131 1356 L HA -0.120 4.220 4.340 -0.001 0.000 0.210 1356 L C 2.040 178.834 176.870 -0.126 0.000 1.092 1356 L CA 2.011 56.802 54.840 -0.081 0.000 0.759 1356 L CB -0.693 41.389 42.059 0.038 0.000 0.903 1356 L HN 0.232 nan 8.230 nan 0.000 0.435 1357 E N -0.662 119.514 120.200 -0.040 0.000 2.051 1357 E HA -0.291 4.058 4.350 -0.001 0.000 0.192 1357 E C 2.167 178.729 176.600 -0.063 0.000 0.991 1357 E CA 1.665 58.053 56.400 -0.020 0.000 0.799 1357 E CB -0.295 29.439 29.700 0.057 0.000 0.748 1357 E HN 0.747 nan 8.360 nan 0.000 0.449 1358 H N -0.732 118.230 119.070 -0.181 0.000 2.559 1358 H HA 0.055 4.611 4.556 -0.001 0.000 0.273 1358 H C 1.422 176.561 175.328 -0.316 0.000 1.000 1358 H CA 0.917 56.836 56.048 -0.215 0.000 1.195 1358 H CB 0.312 29.959 29.762 -0.192 0.000 1.368 1358 H HN 0.018 nan 8.280 nan 0.000 0.592 1359 Q N 0.094 119.632 119.800 -0.438 0.000 2.250 1359 Q HA 0.007 4.346 4.340 -0.001 0.000 0.200 1359 Q C 1.954 177.798 176.000 -0.260 0.000 0.941 1359 Q CA 0.762 56.312 55.803 -0.421 0.000 0.872 1359 Q CB 0.203 28.666 28.738 -0.459 0.000 0.965 1359 Q HN 0.370 nan 8.270 nan 0.000 0.480 1360 K N -0.413 119.870 120.400 -0.196 0.000 2.103 1360 K HA -0.016 4.304 4.320 -0.001 0.000 0.204 1360 K C 1.838 178.353 176.600 -0.143 0.000 1.052 1360 K CA 1.391 57.600 56.287 -0.131 0.000 0.945 1360 K CB 0.118 32.566 32.500 -0.086 0.000 0.722 1360 K HN 0.072 nan 8.250 nan 0.000 0.443 1361 T N -0.010 114.435 114.554 -0.181 0.000 3.088 1361 T HA 0.006 4.356 4.350 -0.001 0.000 0.259 1361 T C 1.618 176.182 174.700 -0.226 0.000 1.122 1361 T CA 0.406 62.408 62.100 -0.164 0.000 1.095 1361 T CB 0.174 68.974 68.868 -0.113 0.000 0.930 1361 T HN -0.089 nan 8.240 nan 0.000 0.508 1362 V N 1.104 120.811 119.914 -0.345 0.000 2.284 1362 V HA -0.067 4.053 4.120 -0.001 0.000 0.236 1362 V C 2.534 178.537 176.094 -0.152 0.000 1.044 1362 V CA 1.056 63.184 62.300 -0.287 0.000 1.019 1362 V CB -0.540 31.063 31.823 -0.365 0.000 0.657 1362 V HN 0.225 nan 8.190 nan 0.000 0.465 1363 V N 1.179 121.011 119.914 -0.137 0.000 2.636 1363 V HA -0.302 3.817 4.120 -0.001 0.000 0.258 1363 V C 2.438 178.501 176.094 -0.052 0.000 1.092 1363 V CA 2.460 64.716 62.300 -0.073 0.000 1.110 1363 V CB -1.180 30.604 31.823 -0.064 0.000 0.685 1363 V HN 0.560 nan 8.190 nan 0.000 0.481 1364 R N 0.762 121.223 120.500 -0.065 0.000 2.051 1364 R HA -0.083 4.256 4.340 -0.001 0.000 0.225 1364 R C 2.554 178.838 176.300 -0.025 0.000 1.155 1364 R CA 1.226 57.298 56.100 -0.045 0.000 0.945 1364 R CB -0.279 29.990 30.300 -0.052 0.000 0.840 1364 R HN 0.362 nan 8.270 nan 0.000 0.432 1365 R N 0.334 120.815 120.500 -0.031 0.000 2.170 1365 R HA -0.172 4.167 4.340 -0.001 0.000 0.242 1365 R C 2.528 178.849 176.300 0.036 0.000 1.145 1365 R CA 1.765 57.863 56.100 -0.002 0.000 0.984 1365 R CB -0.446 29.843 30.300 -0.017 0.000 0.869 1365 R HN 0.351 nan 8.270 nan 0.000 0.455 1366 R N 0.648 121.159 120.500 0.020 0.000 2.070 1366 R HA -0.096 4.244 4.340 -0.001 0.000 0.227 1366 R C 1.837 178.205 176.300 0.114 0.000 1.147 1366 R CA 1.995 58.132 56.100 0.061 0.000 0.924 1366 R CB -0.692 29.624 30.300 0.027 0.000 0.827 1366 R HN -0.021 nan 8.270 nan 0.000 0.431 1367 T N 1.289 115.876 114.554 0.054 0.000 2.736 1367 T HA -0.266 4.083 4.350 -0.001 0.000 0.265 1367 T C 1.782 176.485 174.700 0.005 0.000 1.031 1367 T CA 2.229 64.339 62.100 0.016 0.000 1.155 1367 T CB -0.221 68.629 68.868 -0.030 0.000 0.849 1367 T HN 0.491 nan 8.240 nan 0.000 0.471 1368 Q N -1.089 118.729 119.800 0.029 0.000 2.137 1368 Q HA -0.031 4.309 4.340 -0.001 0.000 0.198 1368 Q C 2.013 178.052 176.000 0.065 0.000 0.960 1368 Q CA 1.174 56.991 55.803 0.023 0.000 0.847 1368 Q CB -0.258 28.493 28.738 0.022 0.000 0.915 1368 Q HN 0.726 nan 8.270 nan 0.000 0.448 1369 Y N 1.957 122.256 120.300 -0.001 0.000 2.224 1369 Y HA -0.204 4.346 4.550 -0.001 0.000 0.289 1369 Y C 1.722 177.644 175.900 0.037 0.000 1.146 1369 Y CA 1.339 59.448 58.100 0.016 0.000 1.182 1369 Y CB -0.006 38.467 38.460 0.023 0.000 0.983 1369 Y HN 0.082 nan 8.280 nan 0.000 0.524 1370 N N 0.620 119.426 118.700 0.177 0.000 2.166 1370 N HA -0.174 4.565 4.740 -0.001 0.000 0.186 1370 N C 1.765 177.288 175.510 0.022 0.000 1.019 1370 N CA 1.291 54.428 53.050 0.145 0.000 0.856 1370 N CB -0.659 38.006 38.487 0.298 0.000 0.993 1370 N HN 0.368 nan 8.380 nan 0.000 0.426 1371 L N 2.121 123.310 121.223 -0.056 0.000 1.933 1371 L HA -0.182 4.158 4.340 -0.001 0.000 0.220 1371 L C 2.288 179.107 176.870 -0.085 0.000 1.078 1371 L CA 1.729 56.514 54.840 -0.091 0.000 0.773 1371 L CB -0.725 41.283 42.059 -0.086 0.000 0.890 1371 L HN 0.073 nan 8.230 nan 0.000 0.434 1372 R N -0.440 119.998 120.500 -0.104 0.000 2.159 1372 R HA -0.291 4.049 4.340 -0.001 0.000 0.249 1372 R C 2.373 178.572 176.300 -0.169 0.000 1.136 1372 R CA 2.289 58.311 56.100 -0.130 0.000 0.951 1372 R CB -0.697 29.518 30.300 -0.141 0.000 0.876 1372 R HN 0.379 nan 8.270 nan 0.000 0.440 1373 K N -0.110 120.113 120.400 -0.294 0.000 2.280 1373 K HA -0.095 4.224 4.320 -0.001 0.000 0.202 1373 K C 1.949 178.494 176.600 -0.093 0.000 1.047 1373 K CA 1.057 57.178 56.287 -0.276 0.000 0.942 1373 K CB 0.054 32.272 32.500 -0.470 0.000 0.739 1373 K HN 0.235 nan 8.250 nan 0.000 0.457 1374 A N 1.165 123.968 122.820 -0.028 0.000 1.850 1374 A HA -0.092 4.227 4.320 -0.001 0.000 0.212 1374 A C 1.800 179.389 177.584 0.008 0.000 1.208 1374 A CA 1.104 53.170 52.037 0.049 0.000 0.609 1374 A CB -0.246 18.840 19.000 0.145 0.000 0.860 1374 A HN 0.152 nan 8.150 nan 0.000 0.448 1375 K N -0.025 120.366 120.400 -0.015 0.000 2.009 1375 K HA -0.188 4.132 4.320 -0.001 0.000 0.210 1375 K C 1.626 178.240 176.600 0.024 0.000 1.049 1375 K CA 1.668 57.950 56.287 -0.009 0.000 0.929 1375 K CB -0.386 32.096 32.500 -0.029 0.000 0.714 1375 K HN 0.342 nan 8.250 nan 0.000 0.440 1376 D N 0.108 120.509 120.400 0.002 0.000 2.218 1376 D HA -0.218 4.422 4.640 -0.001 0.000 0.194 1376 D C 1.910 178.249 176.300 0.065 0.000 1.007 1376 D CA 1.385 55.402 54.000 0.028 0.000 0.879 1376 D CB -0.062 40.727 40.800 -0.019 0.000 0.918 1376 D HN 0.072 nan 8.370 nan 0.000 0.449 1377 R N 0.429 120.953 120.500 0.039 0.000 2.100 1377 R HA 0.182 4.521 4.340 -0.001 0.000 0.220 1377 R C 1.763 178.113 176.300 0.083 0.000 1.091 1377 R CA 1.404 57.531 56.100 0.044 0.000 0.986 1377 R CB -0.486 29.825 30.300 0.019 0.000 0.888 1377 R HN 0.056 nan 8.270 nan 0.000 0.444 1378 A N -0.653 122.220 122.820 0.087 0.000 2.168 1378 A HA -0.088 4.232 4.320 -0.001 0.000 0.215 1378 A C 1.780 179.524 177.584 0.267 0.000 1.152 1378 A CA 1.393 53.516 52.037 0.143 0.000 0.716 1378 A CB -0.736 18.243 19.000 -0.034 0.000 0.794 1378 A HN 0.586 nan 8.150 nan 0.000 0.465 1379 H N 0.193 119.317 119.070 0.090 0.000 2.384 1379 H HA 0.040 4.596 4.556 -0.001 0.000 0.300 1379 H C 1.673 177.033 175.328 0.053 0.000 1.057 1379 H CA 1.511 57.603 56.048 0.073 0.000 1.370 1379 H CB -0.037 29.745 29.762 0.033 0.000 1.417 1379 H HN 0.307 nan 8.280 nan 0.000 0.527 1380 I N 0.448 120.998 120.570 -0.034 0.000 2.315 1380 I HA -0.209 3.961 4.170 -0.001 0.000 0.248 1380 I C 2.334 178.398 176.117 -0.088 0.000 1.117 1380 I CA 0.881 62.111 61.300 -0.116 0.000 1.404 1380 I CB -1.080 36.899 38.000 -0.034 0.000 1.071 1380 I HN 0.314 nan 8.210 nan 0.000 0.419 1381 L N 0.488 121.717 121.223 0.010 0.000 2.017 1381 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 1381 L C 2.577 179.394 176.870 -0.088 0.000 1.073 1381 L CA 1.305 56.161 54.840 0.027 0.000 0.745 1381 L CB -0.599 41.593 42.059 0.222 0.000 0.894 1381 L HN 0.229 nan 8.230 nan 0.000 0.432 1382 E N 0.202 120.371 120.200 -0.051 0.000 2.045 1382 E HA -0.287 4.062 4.350 -0.001 0.000 0.212 1382 E C 2.072 178.555 176.600 -0.194 0.000 1.039 1382 E CA 1.550 57.852 56.400 -0.165 0.000 0.860 1382 E CB -0.554 29.149 29.700 0.005 0.000 0.776 1382 E HN 0.581 nan 8.360 nan 0.000 0.467 1383 G N 0.914 109.589 108.800 -0.209 0.000 2.499 1383 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.221 1383 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.221 1383 G C 1.495 176.273 174.900 -0.205 0.000 1.109 1383 G CA 0.416 45.385 45.100 -0.219 0.000 0.749 1383 G HN 0.074 nan 8.290 nan 0.000 0.568 1384 L N -0.247 120.871 121.223 -0.175 0.000 2.049 1384 L HA -0.022 4.318 4.340 -0.001 0.000 0.203 1384 L C 3.242 180.021 176.870 -0.151 0.000 1.074 1384 L CA 1.355 56.107 54.840 -0.146 0.000 0.749 1384 L CB -0.425 41.572 42.059 -0.102 0.000 0.907 1384 L HN 0.263 nan 8.230 nan 0.000 0.439 1385 R N 0.269 120.667 120.500 -0.170 0.000 2.091 1385 R HA -0.161 4.178 4.340 -0.001 0.000 0.238 1385 R C 2.129 178.343 176.300 -0.143 0.000 1.136 1385 R CA 1.282 57.286 56.100 -0.159 0.000 0.959 1385 R CB -0.618 29.550 30.300 -0.221 0.000 0.856 1385 R HN 0.283 nan 8.270 nan 0.000 0.437 1386 I N 1.280 121.737 120.570 -0.188 0.000 2.248 1386 I HA -0.312 3.858 4.170 -0.001 0.000 0.248 1386 I C 2.581 178.521 176.117 -0.294 0.000 1.107 1386 I CA 1.443 62.590 61.300 -0.253 0.000 1.373 1386 I CB -0.444 37.382 38.000 -0.291 0.000 1.055 1386 I HN 0.313 nan 8.210 nan 0.000 0.418 1387 A N 0.520 123.186 122.820 -0.257 0.000 1.929 1387 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 1387 A C 2.228 179.734 177.584 -0.129 0.000 1.176 1387 A CA 1.167 53.055 52.037 -0.248 0.000 0.628 1387 A CB -0.586 18.280 19.000 -0.223 0.000 0.816 1387 A HN 0.388 nan 8.150 nan 0.000 0.444 1388 L N -0.816 120.354 121.223 -0.088 0.000 2.240 1388 L HA -0.069 4.271 4.340 -0.001 0.000 0.211 1388 L C 1.618 178.492 176.870 0.008 0.000 1.106 1388 L CA 0.813 55.628 54.840 -0.042 0.000 0.793 1388 L CB -0.213 41.818 42.059 -0.046 0.000 0.927 1388 L HN 0.240 nan 8.230 nan 0.000 0.446 1389 D N -1.291 119.142 120.400 0.056 0.000 2.213 1389 D HA -0.061 4.578 4.640 -0.001 0.000 0.205 1389 D C 0.785 177.268 176.300 0.305 0.000 0.961 1389 D CA 1.046 55.146 54.000 0.168 0.000 0.853 1389 D CB 0.112 41.040 40.800 0.213 0.000 0.967 1389 D HN 0.306 nan 8.370 nan 0.000 0.496 1390 H N 0.020 119.080 119.070 -0.016 0.000 2.533 1390 H HA 0.208 4.763 4.556 -0.001 0.000 0.281 1390 H C 1.205 176.526 175.328 -0.013 0.000 1.238 1390 H CA -0.820 55.246 56.048 0.030 0.000 1.024 1390 H CB -0.138 29.712 29.762 0.147 0.000 1.604 1390 H HN -0.033 nan 8.280 nan 0.000 0.531 1391 I N 0.827 121.444 120.570 0.079 0.000 2.087 1391 I HA -0.306 3.864 4.170 -0.001 0.000 0.240 1391 I C 2.019 178.153 176.117 0.028 0.000 1.054 1391 I CA 1.731 63.042 61.300 0.018 0.000 1.311 1391 I CB -0.038 37.964 38.000 0.004 0.000 1.024 1391 I HN 0.291 nan 8.210 nan 0.000 0.402 1392 D N 0.083 120.506 120.400 0.039 0.000 2.133 1392 D HA -0.228 4.411 4.640 -0.001 0.000 0.195 1392 D C 2.106 178.440 176.300 0.055 0.000 0.997 1392 D CA 1.709 55.731 54.000 0.035 0.000 0.840 1392 D CB -0.090 40.726 40.800 0.026 0.000 0.947 1392 D HN 0.609 nan 8.370 nan 0.000 0.452 1393 E N -0.175 120.084 120.200 0.098 0.000 2.106 1393 E HA -0.126 4.223 4.350 -0.001 0.000 0.192 1393 E C 2.129 178.806 176.600 0.128 0.000 0.984 1393 E CA 0.515 56.997 56.400 0.137 0.000 0.806 1393 E CB -0.005 29.831 29.700 0.225 0.000 0.750 1393 E HN 0.308 nan 8.360 nan 0.000 0.458 1394 I N 1.402 122.016 120.570 0.075 0.000 2.286 1394 I HA -0.219 3.951 4.170 -0.001 0.000 0.248 1394 I C 2.170 178.286 176.117 -0.002 0.000 1.115 1394 I CA 1.180 62.470 61.300 -0.016 0.000 1.392 1394 I CB -0.942 36.971 38.000 -0.145 0.000 1.065 1394 I HN 0.188 nan 8.210 nan 0.000 0.418 1395 I N 0.639 121.212 120.570 0.004 0.000 2.830 1395 I HA -0.146 4.024 4.170 -0.001 0.000 0.263 1395 I C 2.158 178.282 176.117 0.013 0.000 1.230 1395 I CA 1.001 62.302 61.300 0.001 0.000 1.480 1395 I CB -0.708 37.291 38.000 -0.001 0.000 1.095 1395 I HN 0.256 nan 8.210 nan 0.000 0.455 1396 S N -0.537 115.180 115.700 0.028 0.000 2.475 1396 S HA -0.007 4.462 4.470 -0.001 0.000 0.224 1396 S C 1.786 176.408 174.600 0.037 0.000 1.042 1396 S CA 0.317 58.535 58.200 0.029 0.000 0.935 1396 S CB -0.382 62.836 63.200 0.030 0.000 0.801 1396 S HN 0.280 nan 8.310 nan 0.000 0.509 1397 T N 2.937 117.525 114.554 0.058 0.000 2.977 1397 T HA 0.160 4.510 4.350 -0.001 0.000 0.271 1397 T C 1.485 176.212 174.700 0.045 0.000 1.105 1397 T CA 0.893 63.034 62.100 0.068 0.000 1.116 1397 T CB -0.440 68.504 68.868 0.126 0.000 0.878 1397 T HN 0.390 nan 8.240 nan 0.000 0.509 1398 I N 0.401 120.987 120.570 0.027 0.000 2.364 1398 I HA 0.004 4.174 4.170 -0.001 0.000 0.241 1398 I C 2.680 178.804 176.117 0.012 0.000 1.082 1398 I CA 0.630 61.938 61.300 0.014 0.000 1.401 1398 I CB -0.254 37.745 38.000 -0.000 0.000 1.126 1398 I HN -0.013 nan 8.210 nan 0.000 0.429 1399 R N 1.349 121.855 120.500 0.011 0.000 2.139 1399 R HA -0.213 4.126 4.340 -0.001 0.000 0.243 1399 R C 1.091 177.397 176.300 0.011 0.000 1.145 1399 R CA 1.630 57.736 56.100 0.009 0.000 0.976 1399 R CB -0.568 29.737 30.300 0.009 0.000 0.866 1399 R HN 0.541 nan 8.270 nan 0.000 0.449 1400 E N 0.734 120.944 120.200 0.015 0.000 2.354 1400 E HA 0.154 4.504 4.350 -0.001 0.000 0.260 1400 E C -1.028 175.581 176.600 0.016 0.000 1.405 1400 E CA -0.232 56.178 56.400 0.015 0.000 1.728 1400 E CB 0.605 30.316 29.700 0.018 0.000 1.471 1400 E HN -0.133 nan 8.360 nan 0.000 0.441 1401 S N 1.197 116.905 115.700 0.013 0.000 2.626 1401 S HA 0.050 4.520 4.470 -0.001 0.000 0.275 1401 S C -0.295 174.310 174.600 0.009 0.000 1.175 1401 S CA -0.847 57.361 58.200 0.013 0.000 0.982 1401 S CB 1.202 64.412 63.200 0.017 0.000 1.093 1401 S HN 0.478 nan 8.310 nan 0.000 0.472 1402 D N 2.069 122.473 120.400 0.008 0.000 2.113 1402 D HA -0.076 4.564 4.640 -0.001 0.000 0.206 1402 D C 1.005 177.307 176.300 0.005 0.000 0.979 1402 D CA 1.057 55.060 54.000 0.005 0.000 0.862 1402 D CB -0.975 39.828 40.800 0.005 0.000 1.013 1402 D HN 0.583 nan 8.370 nan 0.000 0.455 1403 T N -0.243 114.314 114.554 0.005 0.000 2.749 1403 T HA 0.178 4.527 4.350 -0.001 0.000 0.295 1403 T C 0.291 174.994 174.700 0.005 0.000 0.936 1403 T CA -0.740 61.363 62.100 0.004 0.000 1.060 1403 T CB 1.379 70.250 68.868 0.005 0.000 0.904 1403 T HN -0.170 nan 8.240 nan 0.000 0.500 1404 D N 2.555 122.957 120.400 0.003 0.000 2.362 1404 D HA -0.086 4.553 4.640 -0.001 0.000 0.215 1404 D C 2.137 178.439 176.300 0.005 0.000 0.978 1404 D CA 1.542 55.544 54.000 0.003 0.000 0.921 1404 D CB -0.366 40.434 40.800 -0.000 0.000 0.895 1404 D HN 0.852 nan 8.370 nan 0.000 0.494 1405 K N 0.578 120.981 120.400 0.006 0.000 2.211 1405 K HA -0.009 4.310 4.320 -0.001 0.000 0.203 1405 K C 2.213 178.819 176.600 0.010 0.000 1.050 1405 K CA 0.790 57.081 56.287 0.007 0.000 0.945 1405 K CB -0.808 31.695 32.500 0.006 0.000 0.732 1405 K HN 0.182 nan 8.250 nan 0.000 0.451 1406 V N 0.483 120.403 119.914 0.011 0.000 2.379 1406 V HA -0.047 4.073 4.120 -0.001 0.000 0.243 1406 V C 2.921 179.026 176.094 0.019 0.000 1.035 1406 V CA 1.449 63.758 62.300 0.014 0.000 1.035 1406 V CB -0.295 31.535 31.823 0.013 0.000 0.673 1406 V HN 0.627 nan 8.190 nan 0.000 0.457 1407 A N -0.258 122.572 122.820 0.017 0.000 1.883 1407 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 1407 A C 2.237 179.835 177.584 0.023 0.000 1.186 1407 A CA 2.125 54.174 52.037 0.021 0.000 0.624 1407 A CB -0.563 18.444 19.000 0.011 0.000 0.822 1407 A HN 0.413 nan 8.150 nan 0.000 0.444 1408 M N -0.743 118.866 119.600 0.015 0.000 2.337 1408 M HA -0.200 4.279 4.480 -0.001 0.000 0.261 1408 M C 2.249 178.565 176.300 0.026 0.000 1.067 1408 M CA 1.913 57.222 55.300 0.015 0.000 1.074 1408 M CB -0.884 31.721 32.600 0.010 0.000 1.395 1408 M HN 0.737 nan 8.290 nan 0.000 0.431 1409 E N -0.370 119.847 120.200 0.028 0.000 2.318 1409 E HA -0.015 4.335 4.350 -0.001 0.000 0.193 1409 E C 1.888 178.513 176.600 0.042 0.000 0.998 1409 E CA 1.102 57.520 56.400 0.030 0.000 0.859 1409 E CB -0.339 29.374 29.700 0.022 0.000 0.812 1409 E HN 0.534 nan 8.360 nan 0.000 0.492 1410 S N 0.508 116.241 115.700 0.054 0.000 2.309 1410 S HA 0.041 4.511 4.470 -0.001 0.000 0.206 1410 S C 2.157 176.845 174.600 0.145 0.000 1.028 1410 S CA 0.854 59.103 58.200 0.081 0.000 0.972 1410 S CB -0.538 62.711 63.200 0.083 0.000 0.961 1410 S HN 0.474 nan 8.310 nan 0.000 0.449 1411 L N 1.844 123.170 121.223 0.172 0.000 2.186 1411 L HA -0.362 3.978 4.340 -0.001 0.000 0.221 1411 L C 2.685 179.711 176.870 0.259 0.000 1.087 1411 L CA 1.619 56.596 54.840 0.228 0.000 0.794 1411 L CB -0.940 41.130 42.059 0.019 0.000 0.893 1411 L HN 0.435 nan 8.230 nan 0.000 0.442 1412 Q N -0.860 119.022 119.800 0.137 0.000 1.946 1412 Q HA -0.183 4.157 4.340 -0.001 0.000 0.199 1412 Q C 2.330 178.385 176.000 0.093 0.000 0.979 1412 Q CA 1.223 57.089 55.803 0.104 0.000 0.834 1412 Q CB -0.237 28.537 28.738 0.060 0.000 0.899 1412 Q HN 0.532 nan 8.270 nan 0.000 0.431 1413 Q N 0.676 120.509 119.800 0.056 0.000 2.029 1413 Q HA -0.247 4.092 4.340 -0.001 0.000 0.209 1413 Q C 2.114 178.094 176.000 -0.034 0.000 0.999 1413 Q CA 1.604 57.414 55.803 0.013 0.000 0.857 1413 Q CB -0.504 28.235 28.738 0.000 0.000 0.926 1413 Q HN 0.297 nan 8.270 nan 0.000 0.415 1414 R N -0.430 120.025 120.500 -0.075 0.000 2.152 1414 R HA -0.117 4.223 4.340 -0.001 0.000 0.232 1414 R C 0.952 176.864 176.300 -0.646 0.000 1.117 1414 R CA 1.131 57.003 56.100 -0.379 0.000 0.981 1414 R CB 0.089 30.077 30.300 -0.520 0.000 0.870 1414 R HN 0.181 nan 8.270 nan 0.000 0.451 1415 F N -0.699 119.239 119.950 -0.021 0.000 2.729 1415 F HA 0.289 4.816 4.527 -0.001 0.000 0.315 1415 F C 0.961 176.737 175.800 -0.039 0.000 1.102 1415 F CA 0.358 58.331 58.000 -0.046 0.000 1.204 1415 F CB 1.079 40.025 39.000 -0.090 0.000 1.052 1415 F HN -0.056 nan 8.300 nan 0.000 0.551 1416 K N 0.883 121.334 120.400 0.085 0.000 3.129 1416 K HA -0.199 4.120 4.320 -0.001 0.000 0.273 1416 K C -0.150 176.496 176.600 0.077 0.000 1.123 1416 K CA 1.480 57.803 56.287 0.060 0.000 0.800 1416 K CB -2.997 29.528 32.500 0.042 0.000 1.238 1416 K HN 0.445 nan 8.250 nan 0.000 0.492 1417 L N -0.149 121.130 121.223 0.094 0.000 2.472 1417 L HA 0.745 5.084 4.340 -0.001 0.000 0.256 1417 L C 1.161 178.074 176.870 0.073 0.000 1.111 1417 L CA -0.425 54.458 54.840 0.072 0.000 0.800 1417 L CB 1.855 43.942 42.059 0.046 0.000 1.286 1417 L HN 0.610 nan 8.230 nan 0.000 0.479 1418 S N -2.258 113.488 115.700 0.077 0.000 2.526 1418 S HA 0.224 4.694 4.470 -0.001 0.000 0.293 1418 S C 0.393 175.039 174.600 0.076 0.000 1.092 1418 S CA -0.803 57.459 58.200 0.104 0.000 0.980 1418 S CB 2.180 65.507 63.200 0.211 0.000 1.048 1418 S HN 0.719 nan 8.310 nan 0.000 0.483 1419 E N 1.959 122.196 120.200 0.062 0.000 2.068 1419 E HA -0.329 4.020 4.350 -0.001 0.000 0.207 1419 E C 2.291 178.913 176.600 0.036 0.000 1.032 1419 E CA 2.298 58.721 56.400 0.040 0.000 0.839 1419 E CB -0.544 29.176 29.700 0.034 0.000 0.758 1419 E HN 0.864 nan 8.360 nan 0.000 0.457 1420 K N 0.653 121.092 120.400 0.064 0.000 2.286 1420 K HA -0.238 4.082 4.320 -0.001 0.000 0.203 1420 K C 1.816 178.419 176.600 0.006 0.000 1.045 1420 K CA 1.949 58.270 56.287 0.057 0.000 0.935 1420 K CB -0.616 31.951 32.500 0.111 0.000 0.737 1420 K HN 0.372 nan 8.250 nan 0.000 0.460 1421 Q N -1.607 118.176 119.800 -0.028 0.000 2.134 1421 Q HA 0.222 4.562 4.340 -0.001 0.000 0.195 1421 Q C 2.536 178.476 176.000 -0.101 0.000 0.958 1421 Q CA 0.881 56.600 55.803 -0.141 0.000 0.840 1421 Q CB 0.067 28.660 28.738 -0.241 0.000 0.918 1421 Q HN 0.609 nan 8.270 nan 0.000 0.467 1422 A N 0.271 123.055 122.820 -0.061 0.000 2.015 1422 A HA -0.211 4.108 4.320 -0.001 0.000 0.219 1422 A C 1.890 179.447 177.584 -0.046 0.000 1.163 1422 A CA 1.481 53.484 52.037 -0.057 0.000 0.646 1422 A CB -0.400 18.587 19.000 -0.022 0.000 0.806 1422 A HN 0.321 nan 8.150 nan 0.000 0.448 1423 Q N 0.349 120.131 119.800 -0.030 0.000 2.016 1423 Q HA -0.018 4.322 4.340 -0.001 0.000 0.200 1423 Q C 2.067 178.047 176.000 -0.034 0.000 0.978 1423 Q CA 2.367 58.156 55.803 -0.023 0.000 0.833 1423 Q CB -0.791 27.941 28.738 -0.010 0.000 0.895 1423 Q HN 0.490 nan 8.270 nan 0.000 0.427 1424 A N 0.697 123.492 122.820 -0.042 0.000 1.903 1424 A HA -0.232 4.088 4.320 -0.001 0.000 0.219 1424 A C 2.210 179.758 177.584 -0.061 0.000 1.191 1424 A CA 1.949 53.956 52.037 -0.050 0.000 0.638 1424 A CB -1.015 17.947 19.000 -0.064 0.000 0.823 1424 A HN 0.525 nan 8.150 nan 0.000 0.451 1425 I N -0.925 119.597 120.570 -0.080 0.000 2.113 1425 I HA -0.233 3.936 4.170 -0.001 0.000 0.238 1425 I C 2.078 178.153 176.117 -0.069 0.000 1.070 1425 I CA 1.189 62.434 61.300 -0.091 0.000 1.332 1425 I CB -0.464 37.460 38.000 -0.127 0.000 1.044 1425 I HN 0.229 nan 8.210 nan 0.000 0.402 1426 L N 0.766 121.954 121.223 -0.059 0.000 2.661 1426 L HA -0.232 4.107 4.340 -0.001 0.000 0.236 1426 L C 0.706 177.556 176.870 -0.033 0.000 1.176 1426 L CA 0.971 55.786 54.840 -0.041 0.000 0.836 1426 L CB -0.549 41.492 42.059 -0.031 0.000 0.960 1426 L HN 0.293 nan 8.230 nan 0.000 0.455 1427 D N -1.777 118.602 120.400 -0.036 0.000 2.469 1427 D HA 0.125 4.764 4.640 -0.001 0.000 0.213 1427 D C 0.571 176.854 176.300 -0.029 0.000 1.135 1427 D CA 0.044 54.028 54.000 -0.028 0.000 0.834 1427 D CB 0.321 41.107 40.800 -0.024 0.000 1.009 1427 D HN 0.127 nan 8.370 nan 0.000 0.507 1428 M N 1.440 121.018 119.600 -0.037 0.000 2.217 1428 M HA 0.284 4.763 4.480 -0.001 0.000 0.352 1428 M C 0.495 176.778 176.300 -0.029 0.000 1.376 1428 M CA 0.026 55.304 55.300 -0.037 0.000 1.107 1428 M CB 0.387 32.958 32.600 -0.049 0.000 1.723 1428 M HN -0.041 nan 8.290 nan 0.000 0.461 1429 R N 4.365 124.851 120.500 -0.024 0.000 2.441 1429 R HA 0.347 4.687 4.340 -0.001 0.000 0.284 1429 R C 0.555 176.844 176.300 -0.020 0.000 1.070 1429 R CA -0.369 55.719 56.100 -0.020 0.000 1.047 1429 R CB -0.414 29.877 30.300 -0.016 0.000 1.016 1429 R HN 1.042 nan 8.270 nan 0.000 0.477 1430 L N 1.207 122.419 121.223 -0.017 0.000 2.089 1430 L HA -0.284 4.056 4.340 -0.001 0.000 0.213 1430 L C 2.799 179.660 176.870 -0.015 0.000 1.079 1430 L CA 2.503 57.333 54.840 -0.016 0.000 0.758 1430 L CB -0.197 41.855 42.059 -0.013 0.000 0.891 1430 L HN 0.902 nan 8.230 nan 0.000 0.433 1431 R N 0.167 120.659 120.500 -0.013 0.000 2.357 1431 R HA -0.148 4.191 4.340 -0.001 0.000 0.202 1431 R C 1.875 178.167 176.300 -0.014 0.000 1.047 1431 R CA 0.772 56.864 56.100 -0.012 0.000 1.034 1431 R CB -0.302 29.992 30.300 -0.010 0.000 0.875 1431 R HN 0.118 nan 8.270 nan 0.000 0.473 1432 R N 0.014 120.504 120.500 -0.017 0.000 2.320 1432 R HA 0.150 4.490 4.340 -0.001 0.000 0.211 1432 R C 0.491 176.778 176.300 -0.021 0.000 0.931 1432 R CA 0.268 56.356 56.100 -0.020 0.000 1.071 1432 R CB 0.215 30.500 30.300 -0.024 0.000 1.025 1432 R HN 0.226 nan 8.270 nan 0.000 0.495 1433 L N -0.921 120.291 121.223 -0.018 0.000 2.701 1433 L HA 0.188 4.528 4.340 -0.001 0.000 0.238 1433 L C 1.083 177.945 176.870 -0.013 0.000 1.106 1433 L CA 0.487 55.316 54.840 -0.018 0.000 0.898 1433 L CB 0.039 42.087 42.059 -0.018 0.000 1.188 1433 L HN 0.135 nan 8.230 nan 0.000 0.508 1434 T N -2.566 111.981 114.554 -0.012 0.000 2.600 1434 T HA 0.133 4.483 4.350 -0.001 0.000 0.369 1434 T C 1.539 176.233 174.700 -0.009 0.000 1.055 1434 T CA 0.354 62.449 62.100 -0.009 0.000 1.051 1434 T CB 0.087 68.951 68.868 -0.008 0.000 1.106 1434 T HN 0.187 nan 8.240 nan 0.000 0.524 1435 G N -0.211 108.585 108.800 -0.007 0.000 2.496 1435 G HA2 0.020 3.980 3.960 -0.001 0.000 0.214 1435 G HA3 0.020 3.980 3.960 -0.001 0.000 0.214 1435 G C 1.630 176.527 174.900 -0.006 0.000 1.234 1435 G CA 0.656 45.752 45.100 -0.006 0.000 0.807 1435 G HN 0.684 nan 8.290 nan 0.000 0.543 1436 L N 0.309 121.529 121.223 -0.005 0.000 1.971 1436 L HA -0.147 4.192 4.340 -0.001 0.000 0.215 1436 L C 2.988 179.855 176.870 -0.005 0.000 1.072 1436 L CA 1.582 56.419 54.840 -0.004 0.000 0.758 1436 L CB -0.590 41.467 42.059 -0.004 0.000 0.889 1436 L HN 0.206 nan 8.230 nan 0.000 0.433 1437 E N 0.213 120.409 120.200 -0.007 0.000 2.097 1437 E HA -0.292 4.058 4.350 -0.001 0.000 0.196 1437 E C 2.537 179.131 176.600 -0.011 0.000 1.000 1437 E CA 1.960 58.355 56.400 -0.009 0.000 0.804 1437 E CB -0.254 29.440 29.700 -0.011 0.000 0.740 1437 E HN 0.553 nan 8.360 nan 0.000 0.454 1438 R N 1.631 122.124 120.500 -0.012 0.000 2.082 1438 R HA -0.180 4.160 4.340 -0.001 0.000 0.234 1438 R C 2.020 178.313 176.300 -0.012 0.000 1.136 1438 R CA 2.009 58.100 56.100 -0.015 0.000 0.935 1438 R CB -1.434 28.857 30.300 -0.015 0.000 0.842 1438 R HN 0.114 nan 8.270 nan 0.000 0.430 1439 D N -0.180 120.216 120.400 -0.007 0.000 2.084 1439 D HA -0.082 4.557 4.640 -0.001 0.000 0.194 1439 D C 2.614 178.916 176.300 0.003 0.000 0.990 1439 D CA 2.573 56.572 54.000 -0.002 0.000 0.826 1439 D CB -0.339 40.461 40.800 -0.001 0.000 0.971 1439 D HN 0.544 nan 8.370 nan 0.000 0.453 1440 K N 1.316 121.718 120.400 0.002 0.000 2.049 1440 K HA -0.229 4.090 4.320 -0.001 0.000 0.219 1440 K C 2.375 178.982 176.600 0.012 0.000 1.056 1440 K CA 1.951 58.241 56.287 0.005 0.000 0.946 1440 K CB -1.475 31.025 32.500 0.000 0.000 0.723 1440 K HN 0.325 nan 8.250 nan 0.000 0.453 1441 I N 0.659 121.233 120.570 0.006 0.000 2.093 1441 I HA -0.398 3.771 4.170 -0.001 0.000 0.239 1441 I C 2.930 179.067 176.117 0.033 0.000 1.026 1441 I CA 2.534 63.840 61.300 0.010 0.000 1.295 1441 I CB -0.413 37.581 38.000 -0.010 0.000 1.007 1441 I HN 0.713 nan 8.210 nan 0.000 0.401 1442 E N 1.238 121.449 120.200 0.018 0.000 2.265 1442 E HA -0.170 4.179 4.350 -0.001 0.000 0.196 1442 E C 1.892 178.543 176.600 0.085 0.000 0.996 1442 E CA 1.281 57.706 56.400 0.042 0.000 0.832 1442 E CB -0.077 29.622 29.700 -0.002 0.000 0.756 1442 E HN 0.475 nan 8.360 nan 0.000 0.491 1443 A N 0.613 123.465 122.820 0.053 0.000 2.067 1443 A HA -0.173 4.147 4.320 -0.001 0.000 0.219 1443 A C 2.139 179.756 177.584 0.054 0.000 1.158 1443 A CA 1.464 53.529 52.037 0.047 0.000 0.661 1443 A CB -0.478 18.537 19.000 0.025 0.000 0.801 1443 A HN 0.457 nan 8.150 nan 0.000 0.452 1444 E N -1.850 118.389 120.200 0.065 0.000 2.122 1444 E HA -0.132 4.218 4.350 -0.001 0.000 0.190 1444 E C 1.660 178.311 176.600 0.086 0.000 0.977 1444 E CA 0.515 56.947 56.400 0.055 0.000 0.820 1444 E CB -0.209 29.518 29.700 0.045 0.000 0.770 1444 E HN 0.712 nan 8.360 nan 0.000 0.462 1445 Y N 2.175 122.474 120.300 -0.002 0.000 2.049 1445 Y HA -0.252 4.298 4.550 -0.001 0.000 0.277 1445 Y C 1.994 177.902 175.900 0.014 0.000 1.143 1445 Y CA 2.233 60.337 58.100 0.006 0.000 1.115 1445 Y CB -0.150 38.312 38.460 0.003 0.000 0.975 1445 Y HN 0.104 nan 8.280 nan 0.000 0.487 1446 N N 0.522 119.315 118.700 0.154 0.000 2.430 1446 N HA -0.195 4.545 4.740 -0.001 0.000 0.186 1446 N C 1.583 177.092 175.510 -0.001 0.000 1.032 1446 N CA 1.443 54.529 53.050 0.061 0.000 0.893 1446 N CB -0.383 38.163 38.487 0.100 0.000 0.957 1446 N HN 0.631 nan 8.380 nan 0.000 0.442 1447 E N 0.649 120.849 120.200 -0.001 0.000 2.190 1447 E HA 0.039 4.389 4.350 -0.001 0.000 0.191 1447 E C 1.899 178.490 176.600 -0.015 0.000 0.978 1447 E CA -0.015 56.382 56.400 -0.006 0.000 0.839 1447 E CB 0.130 29.827 29.700 -0.005 0.000 0.787 1447 E HN 0.248 nan 8.360 nan 0.000 0.473 1448 L N 0.712 121.903 121.223 -0.053 0.000 2.141 1448 L HA -0.132 4.207 4.340 -0.001 0.000 0.209 1448 L C 2.216 179.063 176.870 -0.038 0.000 1.094 1448 L CA 0.728 55.543 54.840 -0.042 0.000 0.763 1448 L CB -0.003 41.988 42.059 -0.113 0.000 0.908 1448 L HN 0.227 nan 8.230 nan 0.000 0.437 1449 L N -1.099 120.052 121.223 -0.120 0.000 2.492 1449 L HA -0.065 4.275 4.340 -0.001 0.000 0.223 1449 L C 1.778 178.622 176.870 -0.043 0.000 1.132 1449 L CA 0.628 55.398 54.840 -0.117 0.000 0.850 1449 L CB -0.451 41.505 42.059 -0.171 0.000 0.966 1449 L HN 0.366 nan 8.230 nan 0.000 0.454 1450 N N -0.904 117.794 118.700 -0.004 0.000 2.250 1450 N HA -0.191 4.549 4.740 -0.001 0.000 0.181 1450 N C 1.761 177.307 175.510 0.061 0.000 1.017 1450 N CA 0.610 53.675 53.050 0.024 0.000 0.866 1450 N CB -0.155 38.354 38.487 0.037 0.000 0.985 1450 N HN 0.159 nan 8.380 nan 0.000 0.429 1451 Y N 2.131 122.402 120.300 -0.049 0.000 2.200 1451 Y HA -0.022 4.527 4.550 -0.001 0.000 0.290 1451 Y C 1.901 177.774 175.900 -0.045 0.000 1.137 1451 Y CA 1.051 59.127 58.100 -0.041 0.000 1.163 1451 Y CB -0.214 38.222 38.460 -0.040 0.000 0.988 1451 Y HN -0.023 nan 8.280 nan 0.000 0.518 1452 I N -1.475 119.066 120.570 -0.047 0.000 2.113 1452 I HA -0.319 3.851 4.170 -0.001 0.000 0.238 1452 I C 2.739 178.779 176.117 -0.129 0.000 1.070 1452 I CA 1.643 62.870 61.300 -0.123 0.000 1.332 1452 I CB -0.951 37.002 38.000 -0.077 0.000 1.044 1452 I HN 0.099 nan 8.210 nan 0.000 0.402 1453 S N 0.319 115.968 115.700 -0.085 0.000 2.365 1453 S HA -0.246 4.224 4.470 -0.001 0.000 0.225 1453 S C 1.927 176.475 174.600 -0.087 0.000 1.039 1453 S CA 1.819 59.977 58.200 -0.071 0.000 1.033 1453 S CB -0.282 62.891 63.200 -0.045 0.000 0.887 1453 S HN 0.399 nan 8.310 nan 0.000 0.447 1454 E N 0.741 120.884 120.200 -0.094 0.000 2.021 1454 E HA -0.172 4.177 4.350 -0.001 0.000 0.200 1454 E C 2.183 178.689 176.600 -0.156 0.000 1.015 1454 E CA 1.700 58.037 56.400 -0.105 0.000 0.824 1454 E CB -0.424 29.221 29.700 -0.091 0.000 0.762 1454 E HN 0.448 nan 8.360 nan 0.000 0.454 1455 L N 0.797 121.856 121.223 -0.274 0.000 2.064 1455 L HA -0.282 4.057 4.340 -0.001 0.000 0.216 1455 L C 2.330 179.103 176.870 -0.162 0.000 1.077 1455 L CA 1.648 56.318 54.840 -0.284 0.000 0.766 1455 L CB -0.758 41.055 42.059 -0.409 0.000 0.890 1455 L HN 0.245 nan 8.230 nan 0.000 0.435 1456 E N -0.718 119.401 120.200 -0.135 0.000 2.152 1456 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 1456 E C 2.082 178.641 176.600 -0.069 0.000 0.983 1456 E CA 1.418 57.765 56.400 -0.089 0.000 0.818 1456 E CB -0.067 29.588 29.700 -0.076 0.000 0.758 1456 E HN 0.439 nan 8.360 nan 0.000 0.467 1457 T N 1.407 115.920 114.554 -0.069 0.000 2.720 1457 T HA -0.143 4.207 4.350 -0.001 0.000 0.268 1457 T C 1.908 176.578 174.700 -0.049 0.000 1.037 1457 T CA 0.858 62.928 62.100 -0.051 0.000 1.144 1457 T CB -0.147 68.693 68.868 -0.047 0.000 0.864 1457 T HN 0.132 nan 8.240 nan 0.000 0.444 1458 I N 0.635 121.168 120.570 -0.062 0.000 2.226 1458 I HA -0.144 4.026 4.170 -0.001 0.000 0.245 1458 I C 2.222 178.310 176.117 -0.050 0.000 1.100 1458 I CA 1.295 62.562 61.300 -0.055 0.000 1.374 1458 I CB -0.316 37.642 38.000 -0.071 0.000 1.057 1458 I HN 0.243 nan 8.210 nan 0.000 0.413 1459 L N 0.332 121.522 121.223 -0.056 0.000 2.072 1459 L HA -0.068 4.272 4.340 -0.001 0.000 0.205 1459 L C 2.301 179.148 176.870 -0.038 0.000 1.079 1459 L CA 0.958 55.770 54.840 -0.047 0.000 0.752 1459 L CB -0.603 41.426 42.059 -0.050 0.000 0.906 1459 L HN 0.160 nan 8.230 nan 0.000 0.436 1460 A N -0.970 121.828 122.820 -0.037 0.000 2.310 1460 A HA 0.017 4.336 4.320 -0.001 0.000 0.230 1460 A C -0.172 177.396 177.584 -0.026 0.000 1.294 1460 A CA 0.341 52.360 52.037 -0.030 0.000 0.898 1460 A CB -0.467 18.516 19.000 -0.029 0.000 0.917 1460 A HN 0.339 nan 8.150 nan 0.000 0.491 1461 D N -0.865 119.520 120.400 -0.026 0.000 2.318 1461 D HA 0.170 4.810 4.640 -0.001 0.000 0.233 1461 D C 0.705 176.991 176.300 -0.022 0.000 1.348 1461 D CA -0.358 53.629 54.000 -0.022 0.000 0.983 1461 D CB 0.715 41.503 40.800 -0.021 0.000 1.416 1461 D HN -0.019 nan 8.370 nan 0.000 0.558 1462 E N 1.672 121.859 120.200 -0.021 0.000 2.068 1462 E HA -0.264 4.086 4.350 -0.001 0.000 0.207 1462 E C 1.139 177.727 176.600 -0.019 0.000 1.032 1462 E CA 1.228 57.616 56.400 -0.021 0.000 0.839 1462 E CB 0.057 29.746 29.700 -0.018 0.000 0.758 1462 E HN 0.539 nan 8.360 nan 0.000 0.457 1463 E N 0.328 120.519 120.200 -0.016 0.000 2.501 1463 E HA -0.094 4.256 4.350 -0.001 0.000 0.203 1463 E C 1.635 178.227 176.600 -0.014 0.000 1.072 1463 E CA 0.221 56.612 56.400 -0.014 0.000 0.885 1463 E CB 0.056 29.749 29.700 -0.011 0.000 0.813 1463 E HN 0.070 nan 8.360 nan 0.000 0.556 1464 V N -0.537 119.366 119.914 -0.017 0.000 2.490 1464 V HA -0.073 4.046 4.120 -0.001 0.000 0.238 1464 V C 2.141 178.224 176.094 -0.019 0.000 1.056 1464 V CA 0.939 63.228 62.300 -0.017 0.000 1.075 1464 V CB -0.598 31.212 31.823 -0.021 0.000 0.746 1464 V HN 0.297 nan 8.190 nan 0.000 0.479 1465 L N 0.215 121.424 121.223 -0.024 0.000 2.051 1465 L HA -0.236 4.104 4.340 -0.001 0.000 0.214 1465 L C 2.250 179.106 176.870 -0.024 0.000 1.076 1465 L CA 2.155 56.979 54.840 -0.027 0.000 0.758 1465 L CB -0.597 41.443 42.059 -0.032 0.000 0.890 1465 L HN 0.274 nan 8.230 nan 0.000 0.433 1466 L N -0.570 120.639 121.223 -0.022 0.000 2.079 1466 L HA -0.247 4.093 4.340 -0.001 0.000 0.210 1466 L C 2.584 179.447 176.870 -0.012 0.000 1.081 1466 L CA 2.029 56.857 54.840 -0.019 0.000 0.752 1466 L CB -0.781 41.269 42.059 -0.016 0.000 0.896 1466 L HN 0.511 nan 8.230 nan 0.000 0.433 1467 Q N -1.050 118.744 119.800 -0.010 0.000 1.990 1467 Q HA -0.199 4.141 4.340 -0.001 0.000 0.200 1467 Q C 2.131 178.130 176.000 -0.001 0.000 0.980 1467 Q CA 1.843 57.643 55.803 -0.005 0.000 0.832 1467 Q CB -0.719 28.016 28.738 -0.005 0.000 0.897 1467 Q HN 0.392 nan 8.270 nan 0.000 0.427 1468 L N -0.353 120.868 121.223 -0.004 0.000 2.011 1468 L HA -0.267 4.072 4.340 -0.001 0.000 0.225 1468 L C 2.204 179.076 176.870 0.004 0.000 1.084 1468 L CA 2.014 56.854 54.840 0.001 0.000 0.791 1468 L CB -1.124 40.934 42.059 -0.003 0.000 0.898 1468 L HN 0.220 nan 8.230 nan 0.000 0.440 1469 V N -0.115 119.796 119.914 -0.005 0.000 2.231 1469 V HA -0.402 3.717 4.120 -0.001 0.000 0.250 1469 V C 2.653 178.756 176.094 0.015 0.000 1.058 1469 V CA 2.558 64.856 62.300 -0.004 0.000 1.022 1469 V CB -0.848 30.962 31.823 -0.022 0.000 0.640 1469 V HN 0.504 nan 8.190 nan 0.000 0.445 1470 R N -0.138 120.369 120.500 0.012 0.000 2.075 1470 R HA -0.143 4.197 4.340 -0.001 0.000 0.232 1470 R C 2.065 178.377 176.300 0.019 0.000 1.126 1470 R CA 1.592 57.702 56.100 0.018 0.000 0.963 1470 R CB -0.674 29.633 30.300 0.010 0.000 0.858 1470 R HN 0.539 nan 8.270 nan 0.000 0.435 1471 D N 1.061 121.470 120.400 0.014 0.000 2.127 1471 D HA -0.193 4.446 4.640 -0.001 0.000 0.190 1471 D C 1.858 178.171 176.300 0.022 0.000 1.000 1471 D CA 1.495 55.504 54.000 0.015 0.000 0.839 1471 D CB -0.234 40.574 40.800 0.013 0.000 0.955 1471 D HN 0.376 nan 8.370 nan 0.000 0.446 1472 E N 0.107 120.324 120.200 0.029 0.000 2.072 1472 E HA -0.056 4.293 4.350 -0.001 0.000 0.190 1472 E C 2.491 179.126 176.600 0.060 0.000 0.982 1472 E CA 0.323 56.749 56.400 0.042 0.000 0.803 1472 E CB -0.164 29.562 29.700 0.043 0.000 0.755 1472 E HN 0.288 nan 8.360 nan 0.000 0.453 1473 L N 0.956 122.218 121.223 0.065 0.000 2.265 1473 L HA -0.125 4.214 4.340 -0.001 0.000 0.215 1473 L C 2.321 179.227 176.870 0.060 0.000 1.117 1473 L CA 0.978 55.870 54.840 0.087 0.000 0.782 1473 L CB -0.387 41.731 42.059 0.098 0.000 0.914 1473 L HN 0.135 nan 8.230 nan 0.000 0.441 1474 T N -1.847 112.730 114.554 0.038 0.000 2.976 1474 T HA -0.099 4.251 4.350 -0.001 0.000 0.257 1474 T C 1.823 176.530 174.700 0.012 0.000 1.051 1474 T CA 0.408 62.521 62.100 0.021 0.000 1.141 1474 T CB 0.021 68.896 68.868 0.012 0.000 0.881 1474 T HN 0.201 nan 8.240 nan 0.000 0.461 1475 E N 1.307 121.516 120.200 0.015 0.000 2.110 1475 E HA -0.128 4.221 4.350 -0.001 0.000 0.193 1475 E C 2.076 178.672 176.600 -0.007 0.000 0.988 1475 E CA 0.848 57.247 56.400 -0.002 0.000 0.804 1475 E CB -0.140 29.562 29.700 0.003 0.000 0.745 1475 E HN 0.291 nan 8.360 nan 0.000 0.458 1476 I N 1.034 121.625 120.570 0.035 0.000 2.113 1476 I HA -0.249 3.921 4.170 -0.001 0.000 0.238 1476 I C 2.641 178.782 176.117 0.040 0.000 1.070 1476 I CA 1.124 62.468 61.300 0.073 0.000 1.332 1476 I CB -1.332 36.741 38.000 0.122 0.000 1.044 1476 I HN 0.155 nan 8.210 nan 0.000 0.402 1477 R N 0.691 121.204 120.500 0.022 0.000 2.249 1477 R HA -0.183 4.156 4.340 -0.001 0.000 0.230 1477 R C 1.114 177.403 176.300 -0.018 0.000 1.121 1477 R CA 1.324 57.424 56.100 -0.000 0.000 0.997 1477 R CB -0.026 30.275 30.300 0.002 0.000 0.867 1477 R HN 0.434 nan 8.270 nan 0.000 0.465 1478 D N -1.136 119.244 120.400 -0.034 0.000 2.366 1478 D HA -0.040 4.599 4.640 -0.001 0.000 0.205 1478 D C 1.628 177.865 176.300 -0.105 0.000 1.022 1478 D CA 0.428 54.395 54.000 -0.054 0.000 0.868 1478 D CB 0.149 40.921 40.800 -0.047 0.000 0.953 1478 D HN 0.222 nan 8.370 nan 0.000 0.514 1479 R N -0.812 119.588 120.500 -0.167 0.000 2.175 1479 R HA 0.091 4.431 4.340 -0.001 0.000 0.202 1479 R C 0.859 176.859 176.300 -0.501 0.000 1.018 1479 R CA 0.569 56.447 56.100 -0.371 0.000 1.029 1479 R CB 0.228 30.216 30.300 -0.519 0.000 0.959 1479 R HN -0.048 nan 8.270 nan 0.000 0.480 1480 F N -0.356 119.530 119.950 -0.107 0.000 2.767 1480 F HA 0.415 4.942 4.527 -0.001 0.000 0.323 1480 F C 1.061 176.780 175.800 -0.134 0.000 1.091 1480 F CA -0.202 57.714 58.000 -0.140 0.000 1.192 1480 F CB 0.341 39.196 39.000 -0.243 0.000 1.056 1480 F HN -0.012 nan 8.300 nan 0.000 0.571 1481 G N 1.557 110.380 108.800 0.040 0.000 2.474 1481 G HA2 0.315 4.275 3.960 -0.001 0.000 0.233 1481 G HA3 0.315 4.275 3.960 -0.001 0.000 0.233 1481 G C -0.709 174.220 174.900 0.049 0.000 1.278 1481 G CA 0.091 45.198 45.100 0.011 0.000 0.861 1481 G HN 0.248 nan 8.290 nan 0.000 0.567 1482 D N 0.964 121.410 120.400 0.076 0.000 2.927 1482 D HA 0.197 4.836 4.640 -0.001 0.000 0.219 1482 D C -0.243 176.109 176.300 0.087 0.000 1.248 1482 D CA -0.716 53.343 54.000 0.097 0.000 0.861 1482 D CB 1.194 42.085 40.800 0.152 0.000 1.677 1482 D HN 0.415 nan 8.370 nan 0.000 0.511 1483 D N 0.906 121.341 120.400 0.059 0.000 2.126 1483 D HA -0.021 4.618 4.640 -0.001 0.000 0.240 1483 D C 0.377 176.706 176.300 0.047 0.000 1.316 1483 D CA -0.136 53.892 54.000 0.046 0.000 0.945 1483 D CB 0.761 41.581 40.800 0.033 0.000 1.301 1483 D HN 0.557 nan 8.370 nan 0.000 0.537 1484 R N -0.833 119.687 120.500 0.033 0.000 2.428 1484 R HA 0.336 4.676 4.340 -0.001 0.000 0.294 1484 R C 0.754 177.065 176.300 0.020 0.000 1.000 1484 R CA -0.602 55.512 56.100 0.023 0.000 0.960 1484 R CB 1.092 31.404 30.300 0.020 0.000 1.076 1484 R HN 0.364 nan 8.270 nan 0.000 0.475 1485 R N 1.148 121.654 120.500 0.010 0.000 2.191 1485 R HA 0.141 4.481 4.340 -0.001 0.000 0.196 1485 R C 0.214 176.532 176.300 0.031 0.000 0.991 1485 R CA 0.178 56.289 56.100 0.019 0.000 1.075 1485 R CB 0.102 30.411 30.300 0.014 0.000 1.040 1485 R HN 0.477 nan 8.270 nan 0.000 0.526 1486 T N 1.752 116.324 114.554 0.030 0.000 2.913 1486 T HA 0.057 4.407 4.350 -0.001 0.000 0.297 1486 T C -0.373 174.354 174.700 0.046 0.000 1.029 1486 T CA 0.059 62.195 62.100 0.060 0.000 1.104 1486 T CB 1.284 70.204 68.868 0.088 0.000 0.964 1486 T HN 0.096 nan 8.240 nan 0.000 0.532 1487 E N 2.478 122.709 120.200 0.052 0.000 2.151 1487 E HA 0.355 4.705 4.350 -0.001 0.000 0.275 1487 E C -0.760 175.867 176.600 0.044 0.000 0.936 1487 E CA -0.545 55.880 56.400 0.040 0.000 0.777 1487 E CB 0.717 30.438 29.700 0.034 0.000 1.108 1487 E HN 0.514 nan 8.360 nan 0.000 0.401 1488 I N 4.699 125.292 120.570 0.039 0.000 2.291 1488 I HA 0.076 4.246 4.170 -0.001 0.000 0.292 1488 I C 0.103 176.235 176.117 0.026 0.000 1.064 1488 I CA -0.080 61.243 61.300 0.037 0.000 1.269 1488 I CB 0.889 38.913 38.000 0.039 0.000 1.418 1488 I HN 0.390 nan 8.210 nan 0.000 0.485 1489 Q N 6.669 126.481 119.800 0.020 0.000 2.322 1489 Q HA 0.375 4.715 4.340 -0.001 0.000 0.256 1489 Q C -0.865 175.139 176.000 0.006 0.000 0.960 1489 Q CA -0.920 54.889 55.803 0.010 0.000 0.934 1489 Q CB 1.489 30.227 28.738 0.001 0.000 1.200 1489 Q HN 0.481 nan 8.270 nan 0.000 0.435 1490 L N 0.330 121.557 121.223 0.007 0.000 2.395 1490 L HA 0.892 5.232 4.340 -0.001 0.000 0.269 1490 L C 0.548 177.417 176.870 -0.001 0.000 1.133 1490 L CA -0.205 54.638 54.840 0.005 0.000 0.812 1490 L CB 0.744 42.809 42.059 0.009 0.000 1.125 1490 L HN 0.631 nan 8.230 nan 0.000 0.452 1491 G N 0.000 108.799 108.800 -0.002 0.000 5.446 1491 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 1491 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 1491 G CA 0.000 45.096 45.100 -0.006 0.000 0.502 1491 G HN 0.000 nan 8.290 nan 0.000 0.925