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 2j7o_1_A DATA FIRST_RESID 390 DATA SEQUENCE HAPVVAARLR NIWPKFPKWL HEAPLAVAWE VTRLFMHCKV DLEDESLGLK DATA SEQUENCE YDPSWSTARD VTDIWKTLYR LDAFRGKPFP EKPPNDVFVT AMTGNFESKG DATA SEQUENCE SAVVLSAVLD YNPDNSPTAP LYLVKLKPLM FEQGCRLTRR FGPDRFFEIL DATA SEQUENCE IPSPTSTSPS VPPVVSKQPA AVEEVIQWLT MGQHSLVGRQ WRAFFAKDAG DATA SEQUENCE XXXXXXXXXX XXXXPKPIIK ERVHFFAETG ITFRPDVFXX XXXXXXXXXX DATA SEQUENCE XQRTEFKVSQ MLDWLLQLDN NTWQPHLKLF SRIQLGLSKT YAIMTLEPHQ DATA SEQUENCE IRHHKTDLLS PSGTGEVMND GVGRMSRSVA KRIRDVLGLG DVPSAVQGRF DATA SEQUENCE GSAKGMWVID VDDTGDEDWI ETYPSQRKWE CDFVDKHQRT LEVRSVASEL DATA SEQUENCE KSAGLNLQLL PVLEDRARDK VKMRQAIGDR LINDLQRQFS EQKHALNRPV DATA SEQUENCE EFRQWVYESY SSRATRVSHG RVPFLAGLPD SQEETLNFLM NSGFDPKKQK DATA SEQUENCE YLQDIAWDLQ KRKCDTLKSK LNIRVGRSAY IYMIADFWGV LEENEVHVGF DATA SEQUENCE SSKFRDEEES FTLLSDCDVL VARSPAHFPS DIQRVRAVFK PELHSLKDVI DATA SEQUENCE IFSTKGDVPL AKKLSGGDYD GDMAWVCWDP EIVDGFVNAE MPLEPDLSRY DATA SEQUENCE LKKDKTTFKQ LMASHGTGSA AKEQTTYDMI QKSFHFALQP NFLGMCTNYK DATA SEQUENCE ERLCYINNSV SNKPAIILSS LVGNLVDQSK QGIVFNEASW AQLRRELLGG DATA SEQUENCE ALSLPDPMYK SDSWLGRGEP THIIDYLKFS IARPAIDKEL EAFHNAMKAA DATA SEQUENCE KDTEDGAHFW DPDLASYYTF FKEISDKSRS SALLFTTLKN RIGEVEKEYG DATA SEQUENCE RXXXXXXXXX XXDPYPVRVN QVYEKWCAIT PXXXXXXXXX XXSKVIRLLE DATA SEQUENCE LSFLADREMN TWALLRASTA FKLYYHKSPK FVWQMAGRQL AYIKAQMTSR DATA SEQUENCE PGEGAPALMT AFMYAGLMPD KKFTKQYVAR LEGD 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 390 H HA 0.000 nan 4.556 nan 0.000 0.296 390 H C 0.000 175.351 175.328 0.038 0.000 0.993 390 H CA 0.000 56.077 56.048 0.048 0.000 1.023 390 H CB 0.000 29.785 29.762 0.038 0.000 1.292 391 A N 3.361 126.230 122.820 0.081 0.000 1.821 391 A HA 0.141 4.422 4.320 -0.065 0.000 0.215 391 A C -1.062 176.554 177.584 0.054 0.000 1.214 391 A CA 1.110 53.181 52.037 0.056 0.000 0.608 391 A CB -0.942 18.072 19.000 0.023 0.000 0.862 391 A HN 0.440 nan 8.150 nan 0.000 0.448 392 P HA 0.529 nan 4.420 nan 0.000 0.301 392 P C -0.227 177.070 177.300 -0.004 0.000 1.337 392 P CA -0.091 63.020 63.100 0.017 0.000 0.889 392 P CB 2.018 33.735 31.700 0.028 0.000 1.050 393 V N -0.841 119.058 119.914 -0.025 0.000 3.294 393 V HA 0.085 4.167 4.120 -0.065 0.000 0.255 393 V C 0.518 176.572 176.094 -0.067 0.000 1.528 393 V CA 0.222 62.497 62.300 -0.040 0.000 1.086 393 V CB -0.894 30.906 31.823 -0.039 0.000 0.906 393 V HN 0.419 nan 8.190 nan 0.000 0.433 394 V N 0.206 120.067 119.914 -0.090 0.000 5.849 394 V HA -0.040 4.042 4.120 -0.065 0.000 0.215 394 V C 0.507 176.569 176.094 -0.054 0.000 0.710 394 V CA 0.145 62.392 62.300 -0.089 0.000 0.745 394 V CB -2.613 29.152 31.823 -0.096 0.000 0.802 394 V HN 1.615 nan 8.190 nan 0.000 0.412 395 A N 3.748 126.540 122.820 -0.047 0.000 2.250 395 A HA 0.913 5.194 4.320 -0.065 0.000 0.283 395 A C 1.683 179.243 177.584 -0.040 0.000 1.206 395 A CA 0.248 52.253 52.037 -0.055 0.000 0.840 395 A CB 0.432 19.414 19.000 -0.030 0.000 1.220 395 A HN 2.261 nan 8.150 nan 0.000 0.505 396 A N -0.656 122.141 122.820 -0.038 0.000 1.969 396 A HA -0.007 4.275 4.320 -0.065 0.000 0.218 396 A C 1.371 178.912 177.584 -0.072 0.000 1.169 396 A CA 0.678 52.692 52.037 -0.038 0.000 0.635 396 A CB -0.469 18.515 19.000 -0.026 0.000 0.810 396 A HN 0.713 nan 8.150 nan 0.000 0.445 397 R N -1.162 119.277 120.500 -0.102 0.000 2.619 397 R HA 0.183 4.484 4.340 -0.065 0.000 0.268 397 R C -0.214 175.952 176.300 -0.222 0.000 0.990 397 R CA 0.754 56.758 56.100 -0.161 0.000 1.092 397 R CB -0.117 30.075 30.300 -0.180 0.000 0.935 397 R HN 0.501 nan 8.270 nan 0.000 0.415 398 L N 0.885 121.920 121.223 -0.312 0.000 4.065 398 L HA -0.231 4.070 4.340 -0.065 0.000 0.392 398 L C 1.458 178.208 176.870 -0.201 0.000 1.141 398 L CA -0.082 54.477 54.840 -0.467 0.000 0.943 398 L CB -0.882 40.843 42.059 -0.556 0.000 2.111 398 L HN 0.743 nan 8.230 nan 0.000 0.627 399 R N 1.268 121.699 120.500 -0.116 0.000 2.369 399 R HA -0.157 4.144 4.340 -0.065 0.000 0.208 399 R C 1.187 177.542 176.300 0.092 0.000 1.030 399 R CA 1.944 58.038 56.100 -0.010 0.000 0.812 399 R CB -0.697 29.593 30.300 -0.017 0.000 0.765 399 R HN 0.666 nan 8.270 nan 0.000 0.441 400 N N -0.424 118.358 118.700 0.137 0.000 2.590 400 N HA -0.150 4.551 4.740 -0.065 0.000 0.273 400 N C -0.223 175.285 175.510 -0.004 0.000 1.210 400 N CA 0.507 53.609 53.050 0.087 0.000 0.676 400 N CB -0.888 37.632 38.487 0.054 0.000 0.881 400 N HN 0.416 nan 8.380 nan 0.000 0.550 401 I N -0.356 120.185 120.570 -0.049 0.000 4.433 401 I HA 0.178 4.309 4.170 -0.065 0.000 0.322 401 I C 0.644 176.567 176.117 -0.323 0.000 1.284 401 I CA 0.272 61.400 61.300 -0.287 0.000 1.269 401 I CB -0.306 37.402 38.000 -0.486 0.000 1.219 401 I HN 0.284 nan 8.210 nan 0.000 0.436 402 W N 4.101 125.518 121.300 0.195 0.000 2.381 402 W HA 0.371 4.990 4.660 -0.068 0.000 0.329 402 W C -1.771 174.794 176.519 0.076 0.000 1.157 402 W CA -1.838 55.580 57.345 0.122 0.000 1.240 402 W CB -0.365 29.166 29.460 0.118 0.000 1.199 402 W HN -0.142 nan 8.180 nan 0.000 0.579 403 P HA 0.063 nan 4.420 nan 0.000 0.268 403 P C -0.515 176.894 177.300 0.182 0.000 1.205 403 P CA -0.166 63.039 63.100 0.175 0.000 0.771 403 P CB 0.828 32.594 31.700 0.111 0.000 0.858 404 K N 1.824 122.310 120.400 0.144 0.000 2.219 404 K HA 0.270 4.552 4.320 -0.065 0.000 0.258 404 K C -0.439 176.265 176.600 0.175 0.000 1.008 404 K CA 0.028 56.404 56.287 0.149 0.000 0.928 404 K CB -0.021 32.538 32.500 0.098 0.000 0.983 404 K HN 0.421 nan 8.250 nan 0.000 0.484 405 F N 4.080 124.031 119.950 0.003 0.000 2.325 405 F HA 0.343 4.829 4.527 -0.068 0.000 0.369 405 F C -1.994 173.794 175.800 -0.020 0.000 1.095 405 F CA -2.515 55.475 58.000 -0.016 0.000 1.082 405 F CB 0.963 39.985 39.000 0.036 0.000 1.289 405 F HN 0.400 nan 8.300 nan 0.000 0.462 406 P HA 0.106 nan 4.420 nan 0.000 0.272 406 P C 0.034 176.753 177.300 -0.970 0.000 1.230 406 P CA -0.280 62.434 63.100 -0.643 0.000 0.788 406 P CB 1.065 32.202 31.700 -0.938 0.000 0.949 407 K N 1.567 121.501 120.400 -0.777 0.000 2.097 407 K HA -0.116 4.165 4.320 -0.065 0.000 0.205 407 K C 1.565 177.863 176.600 -0.503 0.000 1.050 407 K CA 1.309 57.038 56.287 -0.930 0.000 0.938 407 K CB -0.960 31.279 32.500 -0.435 0.000 0.718 407 K HN 0.628 nan 8.250 nan 0.000 0.442 408 W N -0.173 120.959 121.300 -0.279 0.000 2.465 408 W HA -0.012 4.612 4.660 -0.060 0.000 0.268 408 W C 0.689 177.181 176.519 -0.046 0.000 1.242 408 W CA 0.568 57.848 57.345 -0.109 0.000 1.248 408 W CB -0.271 29.180 29.460 -0.014 0.000 1.118 408 W HN 0.008 nan 8.180 nan 0.000 0.587 409 L N 0.489 121.209 121.223 -0.838 0.000 2.667 409 L HA 0.148 4.449 4.340 -0.065 0.000 0.232 409 L C 1.973 178.607 176.870 -0.393 0.000 1.138 409 L CA 0.037 54.509 54.840 -0.612 0.000 0.921 409 L CB -0.476 41.013 42.059 -0.951 0.000 1.180 409 L HN 0.136 nan 8.230 nan 0.000 0.487 410 H N 0.013 118.769 119.070 -0.524 0.000 2.495 410 H HA -0.121 4.396 4.556 -0.064 0.000 0.287 410 H C 1.297 176.562 175.328 -0.104 0.000 1.033 410 H CA 0.904 56.763 56.048 -0.316 0.000 1.307 410 H CB 0.484 30.108 29.762 -0.231 0.000 1.401 410 H HN 0.500 nan 8.280 nan 0.000 0.555 411 E N 1.576 121.709 120.200 -0.113 0.000 2.405 411 E HA 0.159 4.470 4.350 -0.065 0.000 0.194 411 E C 0.992 177.537 176.600 -0.092 0.000 1.149 411 E CA 0.227 56.522 56.400 -0.175 0.000 0.933 411 E CB -0.025 29.463 29.700 -0.353 0.000 1.028 411 E HN 0.377 nan 8.360 nan 0.000 0.487 412 A N 1.909 124.790 122.820 0.101 0.000 5.568 412 A HA -0.263 4.018 4.320 -0.065 0.000 0.322 412 A C -1.815 175.987 177.584 0.364 0.000 1.802 412 A CA 0.898 53.099 52.037 0.273 0.000 0.727 412 A CB -2.603 16.524 19.000 0.211 0.000 1.362 412 A HN 0.558 nan 8.150 nan 0.000 0.396 413 P HA 0.303 nan 4.420 nan 0.000 0.274 413 P C 1.362 178.810 177.300 0.248 0.000 1.256 413 P CA -0.116 63.117 63.100 0.220 0.000 0.795 413 P CB 0.408 32.212 31.700 0.173 0.000 1.038 414 L N 0.763 122.107 121.223 0.201 0.000 2.034 414 L HA -0.332 3.969 4.340 -0.065 0.000 0.217 414 L C 2.356 179.426 176.870 0.334 0.000 1.077 414 L CA 2.706 57.679 54.840 0.221 0.000 0.769 414 L CB -0.985 41.157 42.059 0.139 0.000 0.890 414 L HN 0.427 nan 8.230 nan 0.000 0.435 415 A N -1.277 121.736 122.820 0.321 0.000 1.930 415 A HA -0.131 4.150 4.320 -0.065 0.000 0.217 415 A C 2.145 179.953 177.584 0.372 0.000 1.175 415 A CA 1.626 53.834 52.037 0.285 0.000 0.627 415 A CB -0.684 18.309 19.000 -0.011 0.000 0.815 415 A HN 0.329 nan 8.150 nan 0.000 0.443 416 V N -0.031 120.081 119.914 0.331 0.000 2.237 416 V HA -0.251 3.830 4.120 -0.065 0.000 0.245 416 V C 3.078 179.382 176.094 0.351 0.000 1.046 416 V CA 1.931 64.437 62.300 0.343 0.000 1.007 416 V CB -1.461 30.597 31.823 0.392 0.000 0.638 416 V HN 0.620 nan 8.190 nan 0.000 0.445 417 A N -0.121 122.938 122.820 0.400 0.000 1.929 417 A HA -0.351 3.930 4.320 -0.065 0.000 0.221 417 A C 2.156 179.952 177.584 0.353 0.000 1.211 417 A CA 2.682 54.966 52.037 0.412 0.000 0.657 417 A CB -1.106 18.149 19.000 0.426 0.000 0.827 417 A HN 0.787 nan 8.150 nan 0.000 0.462 418 W N 0.423 121.835 121.300 0.186 0.000 2.353 418 W HA -0.131 4.488 4.660 -0.069 0.000 0.319 418 W C 1.935 178.580 176.519 0.210 0.000 1.207 418 W CA 2.024 59.463 57.345 0.158 0.000 1.291 418 W CB -0.213 29.342 29.460 0.159 0.000 1.159 418 W HN 0.415 nan 8.180 nan 0.000 0.478 419 E N 0.165 120.639 120.200 0.456 0.000 2.208 419 E HA -0.120 4.191 4.350 -0.065 0.000 0.193 419 E C 2.159 179.041 176.600 0.470 0.000 0.988 419 E CA 0.889 57.533 56.400 0.407 0.000 0.828 419 E CB -0.537 29.328 29.700 0.275 0.000 0.763 419 E HN 0.203 nan 8.360 nan 0.000 0.478 420 V N 1.068 121.188 119.914 0.344 0.000 2.283 420 V HA -0.199 3.882 4.120 -0.065 0.000 0.243 420 V C 2.340 178.697 176.094 0.437 0.000 1.039 420 V CA 1.988 64.505 62.300 0.361 0.000 1.016 420 V CB -0.868 31.083 31.823 0.213 0.000 0.650 420 V HN 0.238 nan 8.190 nan 0.000 0.449 421 T N -0.178 114.530 114.554 0.256 0.000 2.778 421 T HA -0.246 4.065 4.350 -0.065 0.000 0.269 421 T C 2.022 176.821 174.700 0.165 0.000 1.050 421 T CA 1.604 63.801 62.100 0.161 0.000 1.137 421 T CB -0.285 68.590 68.868 0.011 0.000 0.860 421 T HN 0.423 nan 8.240 nan 0.000 0.468 422 R N 0.030 120.597 120.500 0.112 0.000 2.115 422 R HA 0.030 4.331 4.340 -0.065 0.000 0.230 422 R C 2.324 178.677 176.300 0.089 0.000 1.111 422 R CA 0.861 57.015 56.100 0.090 0.000 0.976 422 R CB -0.429 29.956 30.300 0.142 0.000 0.870 422 R HN 0.265 nan 8.270 nan 0.000 0.445 423 L N -0.172 121.090 121.223 0.065 0.000 2.156 423 L HA -0.020 4.281 4.340 -0.065 0.000 0.208 423 L C 1.642 178.549 176.870 0.063 0.000 1.095 423 L CA 1.523 56.250 54.840 -0.189 0.000 0.770 423 L CB -0.234 41.541 42.059 -0.472 0.000 0.914 423 L HN -0.046 nan 8.230 nan 0.000 0.439 424 F N -0.775 119.274 119.950 0.167 0.000 2.128 424 F HA -0.170 4.320 4.527 -0.062 0.000 0.295 424 F C 2.359 178.187 175.800 0.047 0.000 1.100 424 F CA 1.809 59.915 58.000 0.176 0.000 1.260 424 F CB -0.478 38.664 39.000 0.238 0.000 1.009 424 F HN -0.000 nan 8.300 nan 0.000 0.476 425 M N -1.223 118.522 119.600 0.241 0.000 2.086 425 M HA -0.244 4.197 4.480 -0.065 0.000 0.261 425 M C 2.386 178.721 176.300 0.059 0.000 1.067 425 M CA 1.694 57.066 55.300 0.120 0.000 1.116 425 M CB -0.894 31.761 32.600 0.092 0.000 1.348 425 M HN 0.176 nan 8.290 nan 0.000 0.407 426 H N 0.054 119.114 119.070 -0.016 0.000 2.290 426 H HA -0.162 4.355 4.556 -0.065 0.000 0.298 426 H C 1.839 177.103 175.328 -0.106 0.000 1.087 426 H CA 1.998 58.016 56.048 -0.051 0.000 1.291 426 H CB -0.047 29.679 29.762 -0.060 0.000 1.369 426 H HN 0.409 nan 8.280 nan 0.000 0.492 427 C N 1.715 120.996 119.300 -0.031 0.000 2.511 427 C HA 0.032 4.453 4.460 -0.065 0.000 0.277 427 C C 1.098 175.929 174.990 -0.265 0.000 1.451 427 C CA 0.039 58.931 59.018 -0.210 0.000 1.735 427 C CB -0.795 26.677 27.740 -0.447 0.000 1.704 427 C HN 0.533 nan 8.230 nan 0.000 0.571 428 K N -0.258 120.034 120.400 -0.180 0.000 3.161 428 K HA -0.144 4.137 4.320 -0.065 0.000 0.270 428 K C -0.761 175.747 176.600 -0.154 0.000 1.115 428 K CA 0.236 56.440 56.287 -0.139 0.000 0.789 428 K CB -1.569 30.844 32.500 -0.144 0.000 1.256 428 K HN 0.378 nan 8.250 nan 0.000 0.492 429 V N 1.266 121.096 119.914 -0.140 0.000 2.384 429 V HA 0.148 4.229 4.120 -0.065 0.000 0.287 429 V C 0.412 176.645 176.094 0.232 0.000 1.020 429 V CA -0.859 61.372 62.300 -0.115 0.000 0.850 429 V CB 1.790 33.263 31.823 -0.583 0.000 0.987 429 V HN 0.154 nan 8.190 nan 0.000 0.436 430 D N 3.337 123.844 120.400 0.178 0.000 2.450 430 D HA 0.069 4.670 4.640 -0.065 0.000 0.247 430 D C 0.801 177.310 176.300 0.348 0.000 1.162 430 D CA 0.374 54.502 54.000 0.213 0.000 0.879 430 D CB 1.356 42.233 40.800 0.130 0.000 1.163 430 D HN 0.448 nan 8.370 nan 0.000 0.472 431 L N 2.785 124.154 121.223 0.244 0.000 2.554 431 L HA 0.005 4.306 4.340 -0.065 0.000 0.226 431 L C 0.680 177.733 176.870 0.305 0.000 1.137 431 L CA 0.608 55.542 54.840 0.157 0.000 0.863 431 L CB 0.129 42.088 42.059 -0.166 0.000 0.985 431 L HN 0.317 nan 8.230 nan 0.000 0.451 432 E N -0.441 119.892 120.200 0.221 0.000 2.947 432 E HA 0.128 4.440 4.350 -0.065 0.000 0.229 432 E C -0.694 176.013 176.600 0.178 0.000 1.158 432 E CA -0.095 56.426 56.400 0.202 0.000 1.441 432 E CB 0.243 30.009 29.700 0.109 0.000 1.414 432 E HN 0.002 nan 8.360 nan 0.000 0.432 433 D N 0.674 121.201 120.400 0.213 0.000 2.193 433 D HA 0.153 4.754 4.640 -0.065 0.000 0.244 433 D C -0.042 176.308 176.300 0.083 0.000 1.064 433 D CA -0.313 53.766 54.000 0.132 0.000 0.845 433 D CB 1.310 42.198 40.800 0.146 0.000 1.148 433 D HN 0.029 nan 8.370 nan 0.000 0.464 434 E N 0.394 120.625 120.200 0.052 0.000 2.548 434 E HA 0.007 4.318 4.350 -0.065 0.000 0.206 434 E C 1.304 177.909 176.600 0.009 0.000 1.005 434 E CA -0.054 56.362 56.400 0.025 0.000 0.951 434 E CB 0.646 30.365 29.700 0.031 0.000 1.035 434 E HN 0.334 nan 8.360 nan 0.000 0.470 435 S N -0.395 115.315 115.700 0.016 0.000 2.503 435 S HA 0.043 4.474 4.470 -0.065 0.000 0.217 435 S C 1.451 176.055 174.600 0.006 0.000 0.999 435 S CA 0.108 58.314 58.200 0.010 0.000 0.914 435 S CB 0.162 63.370 63.200 0.013 0.000 0.782 435 S HN 0.143 nan 8.310 nan 0.000 0.520 436 L N 1.634 122.860 121.223 0.005 0.000 2.529 436 L HA 0.444 4.745 4.340 -0.065 0.000 0.223 436 L C 1.521 178.371 176.870 -0.034 0.000 1.113 436 L CA 0.970 55.817 54.840 0.011 0.000 0.861 436 L CB -0.517 41.588 42.059 0.077 0.000 1.012 436 L HN 0.549 nan 8.230 nan 0.000 0.461 437 G N 0.750 109.507 108.800 -0.072 0.000 2.324 437 G HA2 -0.263 3.658 3.960 -0.065 0.000 0.292 437 G HA3 -0.263 3.658 3.960 -0.065 0.000 0.292 437 G C -0.216 174.569 174.900 -0.192 0.000 1.079 437 G CA 0.023 45.063 45.100 -0.100 0.000 1.026 437 G HN 0.210 nan 8.290 nan 0.000 0.506 438 L N -0.208 120.802 121.223 -0.355 0.000 2.307 438 L HA 0.885 5.186 4.340 -0.065 0.000 0.284 438 L C 0.324 176.838 176.870 -0.595 0.000 1.023 438 L CA -0.233 54.164 54.840 -0.739 0.000 0.810 438 L CB 2.038 43.150 42.059 -1.579 0.000 1.231 438 L HN 0.702 nan 8.230 nan 0.000 0.423 439 K N 3.337 123.535 120.400 -0.338 0.000 8.028 439 K HA 0.089 4.370 4.320 -0.065 0.000 0.963 439 K C -2.046 174.616 176.600 0.103 0.000 0.883 439 K CA -0.813 55.317 56.287 -0.261 0.000 0.976 439 K CB -0.185 32.066 32.500 -0.414 0.000 1.878 439 K HN 0.430 nan 8.250 nan 0.000 0.915 440 Y N 0.938 121.153 120.300 -0.142 0.000 1.894 440 Y HA 0.126 4.638 4.550 -0.063 0.000 0.308 440 Y C -2.012 173.621 175.900 -0.445 0.000 1.228 440 Y CA -0.548 57.461 58.100 -0.152 0.000 1.779 440 Y CB 0.541 39.087 38.460 0.143 0.000 1.238 440 Y HN 0.644 nan 8.280 nan 0.000 0.376 441 D N 8.401 127.858 120.400 -1.573 0.000 2.339 441 D HA 0.223 4.824 4.640 -0.065 0.000 0.256 441 D C -1.785 173.998 176.300 -0.862 0.000 1.214 441 D CA -1.520 51.724 54.000 -1.260 0.000 0.877 441 D CB 1.873 41.521 40.800 -1.920 0.000 1.111 441 D HN 0.315 nan 8.370 nan 0.000 0.478 442 P HA -0.164 nan 4.420 nan 0.000 0.218 442 P C 1.457 178.756 177.300 -0.001 0.000 1.148 442 P CA 1.041 64.145 63.100 0.007 0.000 0.822 442 P CB 0.110 31.826 31.700 0.028 0.000 0.784 443 S N -1.989 113.657 115.700 -0.091 0.000 2.419 443 S HA -0.190 4.241 4.470 -0.065 0.000 0.235 443 S C 1.696 176.406 174.600 0.184 0.000 1.019 443 S CA 0.781 58.997 58.200 0.027 0.000 0.982 443 S CB -1.507 61.697 63.200 0.007 0.000 0.789 443 S HN 0.103 nan 8.310 nan 0.000 0.490 444 W N 2.169 123.458 121.300 -0.019 0.000 2.392 444 W HA 0.188 4.808 4.660 -0.067 0.000 0.279 444 W C 2.712 179.300 176.519 0.115 0.000 1.225 444 W CA 0.112 57.470 57.345 0.022 0.000 1.233 444 W CB -1.516 27.892 29.460 -0.087 0.000 1.122 444 W HN 0.352 nan 8.180 nan 0.000 0.561 445 S N -0.596 115.315 115.700 0.352 0.000 2.423 445 S HA -0.112 4.319 4.470 -0.065 0.000 0.231 445 S C 1.645 176.355 174.600 0.183 0.000 1.014 445 S CA 1.834 60.206 58.200 0.287 0.000 0.965 445 S CB -0.386 62.975 63.200 0.268 0.000 0.785 445 S HN 0.356 nan 8.310 nan 0.000 0.495 446 T N -0.396 114.257 114.554 0.165 0.000 3.176 446 T HA 0.624 4.935 4.350 -0.065 0.000 0.263 446 T C 0.235 175.011 174.700 0.127 0.000 1.021 446 T CA -0.115 62.054 62.100 0.115 0.000 0.905 446 T CB 0.129 69.052 68.868 0.091 0.000 1.057 446 T HN 0.224 nan 8.240 nan 0.000 0.558 447 A N 1.505 124.437 122.820 0.187 0.000 2.388 447 A HA 0.620 4.901 4.320 -0.065 0.000 0.257 447 A C 1.005 178.763 177.584 0.289 0.000 1.095 447 A CA -0.743 51.440 52.037 0.243 0.000 0.791 447 A CB 0.385 19.578 19.000 0.321 0.000 1.029 447 A HN 0.528 nan 8.150 nan 0.000 0.489 448 R N 0.231 120.879 120.500 0.246 0.000 2.531 448 R HA 0.184 4.485 4.340 -0.065 0.000 0.316 448 R C -0.951 175.481 176.300 0.221 0.000 0.955 448 R CA -0.085 56.154 56.100 0.231 0.000 1.120 448 R CB 0.760 31.119 30.300 0.098 0.000 1.361 448 R HN 0.738 nan 8.270 nan 0.000 0.534 449 D N 0.237 120.673 120.400 0.061 0.000 2.890 449 D HA 0.018 4.619 4.640 -0.065 0.000 0.233 449 D C 0.467 176.399 176.300 -0.613 0.000 1.306 449 D CA -0.339 53.513 54.000 -0.246 0.000 0.929 449 D CB 2.534 43.234 40.800 -0.167 0.000 1.512 449 D HN -0.213 nan 8.370 nan 0.000 0.568 450 V N 3.672 122.890 119.914 -1.161 0.000 2.594 450 V HA -0.181 3.900 4.120 -0.065 0.000 0.253 450 V C 1.854 177.301 176.094 -1.079 0.000 1.069 450 V CA 2.465 63.891 62.300 -1.456 0.000 1.082 450 V CB -0.285 30.510 31.823 -1.713 0.000 0.680 450 V HN 0.745 nan 8.190 nan 0.000 0.469 451 T N -0.042 114.080 114.554 -0.720 0.000 2.946 451 T HA -0.158 4.153 4.350 -0.065 0.000 0.271 451 T C 1.416 175.974 174.700 -0.238 0.000 1.104 451 T CA 1.562 63.428 62.100 -0.390 0.000 1.114 451 T CB -0.347 68.374 68.868 -0.244 0.000 0.867 451 T HN 0.611 nan 8.240 nan 0.000 0.513 452 D N 0.998 121.247 120.400 -0.251 0.000 2.162 452 D HA 0.069 4.670 4.640 -0.065 0.000 0.203 452 D C 1.282 177.561 176.300 -0.035 0.000 0.967 452 D CA 0.687 54.632 54.000 -0.092 0.000 0.840 452 D CB -0.054 40.726 40.800 -0.034 0.000 0.972 452 D HN 0.420 nan 8.370 nan 0.000 0.482 453 I N -0.301 120.137 120.570 -0.220 0.000 3.784 453 I HA 0.031 4.162 4.170 -0.065 0.000 0.314 453 I C 0.502 176.585 176.117 -0.056 0.000 1.401 453 I CA -0.060 61.017 61.300 -0.371 0.000 1.254 453 I CB -0.155 37.402 38.000 -0.738 0.000 1.165 453 I HN -0.014 nan 8.210 nan 0.000 0.420 454 W N 0.499 121.664 121.300 -0.225 0.000 2.948 454 W HA 0.080 4.700 4.660 -0.066 0.000 0.171 454 W C 1.995 178.321 176.519 -0.321 0.000 0.925 454 W CA -0.587 56.629 57.345 -0.216 0.000 1.263 454 W CB -0.060 29.252 29.460 -0.247 0.000 0.657 454 W HN 0.048 nan 8.180 nan 0.000 0.809 455 K N -0.227 120.140 120.400 -0.055 0.000 2.525 455 K HA 0.094 4.376 4.320 -0.065 0.000 0.192 455 K C 1.318 177.928 176.600 0.016 0.000 1.029 455 K CA 1.369 57.581 56.287 -0.124 0.000 1.029 455 K CB -0.267 32.180 32.500 -0.089 0.000 0.814 455 K HN -0.225 nan 8.250 nan 0.000 0.503 456 T N 0.945 115.566 114.554 0.112 0.000 2.624 456 T HA -0.142 4.169 4.350 -0.065 0.000 0.268 456 T C 1.152 175.916 174.700 0.107 0.000 1.041 456 T CA 1.783 63.999 62.100 0.194 0.000 1.159 456 T CB -0.043 69.116 68.868 0.486 0.000 0.863 456 T HN 0.328 nan 8.240 nan 0.000 0.434 457 L N -3.140 118.121 121.223 0.063 0.000 1.768 457 L HA 0.346 4.647 4.340 -0.065 0.000 0.178 457 L C -0.081 176.584 176.870 -0.341 0.000 1.256 457 L CA 0.334 55.115 54.840 -0.098 0.000 1.175 457 L CB -0.084 41.918 42.059 -0.095 0.000 2.460 457 L HN 0.483 nan 8.230 nan 0.000 0.499 458 Y N 1.323 121.484 120.300 -0.231 0.000 4.430 458 Y HA -0.292 4.219 4.550 -0.065 0.000 0.246 458 Y C 0.948 176.838 175.900 -0.018 0.000 1.182 458 Y CA 0.171 58.210 58.100 -0.101 0.000 2.128 458 Y CB -0.543 37.768 38.460 -0.248 0.000 1.629 458 Y HN 0.398 nan 8.280 nan 0.000 0.726 459 R N -1.278 119.327 120.500 0.174 0.000 3.349 459 R HA -0.345 3.956 4.340 -0.065 0.000 0.642 459 R C 1.211 177.593 176.300 0.137 0.000 0.241 459 R CA 1.676 57.850 56.100 0.124 0.000 1.971 459 R CB -1.122 29.221 30.300 0.072 0.000 0.807 459 R HN 0.354 nan 8.270 nan 0.000 0.642 460 L N -1.160 120.122 121.223 0.099 0.000 5.503 460 L HA -0.460 3.841 4.340 -0.065 0.000 0.451 460 L C 1.447 178.389 176.870 0.120 0.000 0.953 460 L CA 2.924 57.837 54.840 0.122 0.000 1.005 460 L CB -0.845 41.331 42.059 0.196 0.000 1.260 460 L HN 0.945 nan 8.230 nan 0.000 0.691 461 D N -3.906 116.573 120.400 0.131 0.000 2.206 461 D HA -0.199 4.402 4.640 -0.065 0.000 0.204 461 D C 1.177 177.501 176.300 0.039 0.000 1.368 461 D CA 1.767 55.814 54.000 0.078 0.000 1.622 461 D CB -1.522 39.307 40.800 0.048 0.000 1.406 461 D HN 0.604 nan 8.370 nan 0.000 0.592 462 A N -0.204 122.638 122.820 0.036 0.000 2.276 462 A HA 0.335 4.616 4.320 -0.065 0.000 0.212 462 A C 0.371 177.753 177.584 -0.336 0.000 1.230 462 A CA 0.231 52.196 52.037 -0.120 0.000 0.844 462 A CB -0.489 18.427 19.000 -0.140 0.000 0.860 462 A HN 0.179 nan 8.150 nan 0.000 0.486 463 F N -0.286 119.515 119.950 -0.248 0.000 2.564 463 F HA 0.563 5.051 4.527 -0.066 0.000 0.361 463 F C 0.369 175.852 175.800 -0.529 0.000 1.161 463 F CA -0.489 57.208 58.000 -0.505 0.000 1.198 463 F CB 1.217 39.823 39.000 -0.657 0.000 1.424 463 F HN 0.039 nan 8.300 nan 0.000 0.517 464 R N 1.819 122.184 120.500 -0.225 0.000 3.066 464 R HA 0.406 4.707 4.340 -0.065 0.000 0.201 464 R C -0.333 175.941 176.300 -0.043 0.000 1.606 464 R CA -0.316 55.741 56.100 -0.073 0.000 1.062 464 R CB 0.434 30.762 30.300 0.047 0.000 1.545 464 R HN 0.589 nan 8.270 nan 0.000 0.543 465 G N 2.809 111.584 108.800 -0.042 0.000 2.502 465 G HA2 -0.258 3.663 3.960 -0.065 0.000 0.273 465 G HA3 -0.258 3.663 3.960 -0.065 0.000 0.273 465 G C 0.235 175.155 174.900 0.034 0.000 1.021 465 G CA 0.745 45.802 45.100 -0.073 0.000 1.333 465 G HN 0.666 nan 8.290 nan 0.000 0.508 466 K N -0.279 120.247 120.400 0.210 0.000 1.796 466 K HA 0.031 4.312 4.320 -0.065 0.000 0.105 466 K C -0.936 175.748 176.600 0.140 0.000 2.302 466 K CA 0.655 57.025 56.287 0.139 0.000 1.130 466 K CB -0.477 32.110 32.500 0.145 0.000 2.552 466 K HN 0.468 nan 8.250 nan 0.000 0.410 467 P HA 0.423 nan 4.420 nan 0.000 0.307 467 P C -0.024 177.481 177.300 0.342 0.000 1.371 467 P CA -0.177 63.127 63.100 0.340 0.000 0.850 467 P CB 0.279 32.195 31.700 0.359 0.000 2.144 468 F N -2.686 117.250 119.950 -0.024 0.000 2.182 468 F HA -0.200 4.288 4.527 -0.065 0.000 0.318 468 F C -1.832 173.605 175.800 -0.605 0.000 0.197 468 F CA -0.376 57.496 58.000 -0.212 0.000 0.911 468 F CB -2.043 36.825 39.000 -0.220 0.000 4.132 468 F HN 0.236 nan 8.300 nan 0.000 0.140 469 P HA -0.163 nan 4.420 nan 0.000 0.276 469 P C 0.483 177.650 177.300 -0.222 0.000 1.248 469 P CA 0.762 63.650 63.100 -0.354 0.000 0.834 469 P CB 0.225 31.821 31.700 -0.174 0.000 0.888 470 E N 0.911 121.060 120.200 -0.085 0.000 2.118 470 E HA -0.221 4.090 4.350 -0.065 0.000 0.195 470 E C 0.045 176.449 176.600 -0.327 0.000 0.992 470 E CA 1.180 57.378 56.400 -0.336 0.000 0.804 470 E CB -0.091 29.645 29.700 0.059 0.000 0.741 470 E HN 0.441 nan 8.360 nan 0.000 0.458 471 K N 0.174 120.563 120.400 -0.018 0.000 5.060 471 K HA -0.054 4.227 4.320 -0.065 0.000 0.853 471 K C -2.901 173.600 176.600 -0.165 0.000 2.146 471 K CA 0.341 56.550 56.287 -0.129 0.000 1.596 471 K CB -0.397 31.948 32.500 -0.259 0.000 2.929 471 K HN 0.030 nan 8.250 nan 0.000 0.155 472 P HA 0.267 nan 4.420 nan 0.000 0.279 472 P C -2.553 174.619 177.300 -0.213 0.000 1.239 472 P CA -1.411 61.593 63.100 -0.161 0.000 0.789 472 P CB 0.493 32.126 31.700 -0.111 0.000 0.933 473 P HA 0.066 nan 4.420 nan 0.000 0.268 473 P C 0.913 178.135 177.300 -0.129 0.000 1.205 473 P CA 0.114 63.126 63.100 -0.148 0.000 0.771 473 P CB 0.261 31.884 31.700 -0.128 0.000 0.858 474 N N 2.451 121.095 118.700 -0.093 0.000 2.021 474 N HA -0.213 4.488 4.740 -0.065 0.000 0.198 474 N C 1.263 176.778 175.510 0.008 0.000 1.041 474 N CA 2.000 55.035 53.050 -0.025 0.000 0.862 474 N CB -0.925 37.547 38.487 -0.025 0.000 1.048 474 N HN 0.590 nan 8.380 nan 0.000 0.427 475 D N 0.689 121.087 120.400 -0.004 0.000 2.158 475 D HA -0.124 4.477 4.640 -0.065 0.000 0.197 475 D C 1.868 178.147 176.300 -0.035 0.000 0.995 475 D CA 0.981 55.006 54.000 0.043 0.000 0.846 475 D CB -0.792 40.087 40.800 0.131 0.000 0.941 475 D HN 0.155 nan 8.370 nan 0.000 0.456 476 V N 0.060 119.783 119.914 -0.318 0.000 2.270 476 V HA -0.193 3.888 4.120 -0.065 0.000 0.245 476 V C 2.365 178.253 176.094 -0.344 0.000 1.043 476 V CA 1.650 63.512 62.300 -0.730 0.000 1.014 476 V CB -0.859 30.478 31.823 -0.810 0.000 0.645 476 V HN 0.078 nan 8.190 nan 0.000 0.447 477 F N 0.836 120.590 119.950 -0.328 0.000 2.095 477 F HA -0.195 4.293 4.527 -0.065 0.000 0.298 477 F C 2.264 177.954 175.800 -0.184 0.000 1.104 477 F CA 1.824 59.672 58.000 -0.254 0.000 1.232 477 F CB -0.494 38.371 39.000 -0.224 0.000 0.987 477 F HN -0.047 nan 8.300 nan 0.000 0.475 478 V N -0.183 119.657 119.914 -0.123 0.000 2.332 478 V HA -0.364 3.717 4.120 -0.065 0.000 0.248 478 V C 2.328 178.325 176.094 -0.162 0.000 1.055 478 V CA 2.442 64.651 62.300 -0.152 0.000 1.038 478 V CB -1.319 30.491 31.823 -0.022 0.000 0.651 478 V HN 0.430 nan 8.190 nan 0.000 0.450 479 T N 0.507 115.000 114.554 -0.102 0.000 2.684 479 T HA -0.196 4.115 4.350 -0.065 0.000 0.267 479 T C 2.058 176.641 174.700 -0.194 0.000 1.036 479 T CA 1.743 63.813 62.100 -0.050 0.000 1.148 479 T CB -0.502 68.457 68.868 0.153 0.000 0.863 479 T HN 0.589 nan 8.240 nan 0.000 0.436 480 A N 1.286 123.844 122.820 -0.436 0.000 1.972 480 A HA -0.028 4.253 4.320 -0.065 0.000 0.219 480 A C 2.286 179.653 177.584 -0.363 0.000 1.169 480 A CA 1.247 52.816 52.037 -0.779 0.000 0.635 480 A CB -0.489 17.898 19.000 -1.022 0.000 0.810 480 A HN 0.331 nan 8.150 nan 0.000 0.446 481 M N -2.158 117.206 119.600 -0.394 0.000 2.334 481 M HA 0.023 4.464 4.480 -0.065 0.000 0.266 481 M C 1.525 177.753 176.300 -0.121 0.000 1.082 481 M CA 1.528 56.645 55.300 -0.304 0.000 1.141 481 M CB -0.458 31.830 32.600 -0.520 0.000 1.380 481 M HN 0.383 nan 8.290 nan 0.000 0.440 482 T N -1.808 112.689 114.554 -0.095 0.000 3.191 482 T HA 0.256 4.567 4.350 -0.065 0.000 0.285 482 T C 0.923 175.618 174.700 -0.009 0.000 0.887 482 T CA 0.406 62.483 62.100 -0.039 0.000 0.881 482 T CB 0.377 69.218 68.868 -0.045 0.000 1.217 482 T HN 0.407 nan 8.240 nan 0.000 0.591 483 G N 0.782 109.580 108.800 -0.004 0.000 3.863 483 G HA2 0.332 4.253 3.960 -0.065 0.000 0.290 483 G HA3 0.332 4.253 3.960 -0.065 0.000 0.290 483 G C 0.328 175.269 174.900 0.067 0.000 1.018 483 G CA -0.190 44.926 45.100 0.026 0.000 0.824 483 G HN 0.359 nan 8.290 nan 0.000 0.507 484 N N -1.246 117.519 118.700 0.108 0.000 2.850 484 N HA -0.226 4.475 4.740 -0.065 0.000 0.249 484 N C 0.541 176.247 175.510 0.328 0.000 1.060 484 N CA 0.833 53.986 53.050 0.171 0.000 0.825 484 N CB -1.456 37.085 38.487 0.090 0.000 1.132 484 N HN 0.337 nan 8.380 nan 0.000 0.564 485 F N -1.822 118.145 119.950 0.028 0.000 2.840 485 F HA -0.259 4.232 4.527 -0.061 0.000 0.310 485 F C 0.468 176.332 175.800 0.106 0.000 0.688 485 F CA 1.583 59.621 58.000 0.062 0.000 1.286 485 F CB -1.233 37.799 39.000 0.054 0.000 1.612 485 F HN 0.358 nan 8.300 nan 0.000 0.335 486 E N -0.044 120.271 120.200 0.192 0.000 2.274 486 E HA 0.562 4.873 4.350 -0.065 0.000 0.269 486 E C -1.008 175.622 176.600 0.051 0.000 0.891 486 E CA -0.416 56.056 56.400 0.120 0.000 0.784 486 E CB 1.732 31.492 29.700 0.101 0.000 1.225 486 E HN 0.009 nan 8.360 nan 0.000 0.412 487 S N 4.365 120.039 115.700 -0.042 0.000 2.774 487 S HA 0.305 4.736 4.470 -0.065 0.000 0.297 487 S C 0.125 174.614 174.600 -0.185 0.000 1.143 487 S CA -0.431 57.695 58.200 -0.123 0.000 1.090 487 S CB 0.271 63.360 63.200 -0.184 0.000 1.019 487 S HN 0.727 nan 8.310 nan 0.000 0.482 488 K N 2.428 122.772 120.400 -0.094 0.000 2.836 488 K HA -0.299 3.982 4.320 -0.065 0.000 0.175 488 K C 1.390 177.953 176.600 -0.062 0.000 0.789 488 K CA 2.114 58.363 56.287 -0.065 0.000 0.485 488 K CB -1.529 30.934 32.500 -0.061 0.000 0.744 488 K HN 0.712 nan 8.250 nan 0.000 0.798 489 G N 0.441 109.198 108.800 -0.072 0.000 2.683 489 G HA2 0.043 3.964 3.960 -0.065 0.000 0.213 489 G HA3 0.043 3.964 3.960 -0.065 0.000 0.213 489 G C 0.127 174.967 174.900 -0.100 0.000 1.142 489 G CA 0.268 45.335 45.100 -0.056 0.000 0.793 489 G HN 0.283 nan 8.290 nan 0.000 0.534 490 S N 0.606 116.196 115.700 -0.184 0.000 2.523 490 S HA 0.612 5.044 4.470 -0.065 0.000 0.275 490 S C 0.342 174.904 174.600 -0.064 0.000 1.281 490 S CA -0.387 57.676 58.200 -0.229 0.000 1.050 490 S CB 1.513 64.266 63.200 -0.744 0.000 0.937 490 S HN 0.505 nan 8.310 nan 0.000 0.492 491 A N 3.202 126.062 122.820 0.066 0.000 2.306 491 A HA 0.612 4.893 4.320 -0.065 0.000 0.314 491 A C -0.131 177.632 177.584 0.299 0.000 1.164 491 A CA -0.650 51.494 52.037 0.179 0.000 0.822 491 A CB 0.441 19.535 19.000 0.157 0.000 1.130 491 A HN 0.626 nan 8.150 nan 0.000 0.496 492 V N 2.823 122.913 119.914 0.293 0.000 2.508 492 V HA 0.213 4.295 4.120 -0.065 0.000 0.281 492 V C 0.091 176.306 176.094 0.201 0.000 1.041 492 V CA -0.088 62.295 62.300 0.139 0.000 1.016 492 V CB 1.068 32.702 31.823 -0.314 0.000 0.984 492 V HN 0.568 nan 8.190 nan 0.000 0.478 493 V N 6.951 126.927 119.914 0.104 0.000 2.394 493 V HA 0.386 4.467 4.120 -0.065 0.000 0.282 493 V C 0.018 176.102 176.094 -0.016 0.000 1.031 493 V CA -0.548 61.819 62.300 0.112 0.000 0.881 493 V CB 1.566 33.460 31.823 0.119 0.000 0.982 493 V HN 0.612 nan 8.190 nan 0.000 0.451 494 L N 5.722 126.923 121.223 -0.037 0.000 2.255 494 L HA 0.602 4.903 4.340 -0.065 0.000 0.289 494 L C 0.275 177.257 176.870 0.187 0.000 1.046 494 L CA 0.178 54.832 54.840 -0.310 0.000 0.816 494 L CB 1.104 42.867 42.059 -0.494 0.000 1.197 494 L HN 0.842 nan 8.230 nan 0.000 0.427 495 S N 2.383 118.302 115.700 0.364 0.000 2.588 495 S HA 0.952 5.383 4.470 -0.065 0.000 0.275 495 S C -0.824 174.117 174.600 0.568 0.000 1.130 495 S CA -0.703 57.730 58.200 0.389 0.000 0.855 495 S CB 2.649 65.952 63.200 0.171 0.000 1.116 495 S HN 0.664 nan 8.310 nan 0.000 0.472 496 A N 0.955 123.978 122.820 0.338 0.000 2.572 496 A HA 0.813 5.094 4.320 -0.065 0.000 0.295 496 A C -1.391 176.273 177.584 0.134 0.000 1.072 496 A CA -0.804 51.419 52.037 0.310 0.000 0.691 496 A CB 1.664 20.957 19.000 0.489 0.000 1.291 496 A HN 1.187 nan 8.150 nan 0.000 0.404 497 V N 2.162 122.146 119.914 0.116 0.000 2.487 497 V HA 0.480 4.561 4.120 -0.065 0.000 0.298 497 V C -0.486 175.622 176.094 0.023 0.000 1.028 497 V CA -0.369 61.958 62.300 0.045 0.000 0.860 497 V CB 1.363 33.213 31.823 0.046 0.000 0.991 497 V HN 0.725 nan 8.190 nan 0.000 0.427 498 L N 4.008 125.199 121.223 -0.053 0.000 2.317 498 L HA 0.694 4.995 4.340 -0.065 0.000 0.281 498 L C -0.903 175.896 176.870 -0.118 0.000 1.024 498 L CA -0.497 54.274 54.840 -0.114 0.000 0.810 498 L CB 1.685 43.559 42.059 -0.308 0.000 1.240 498 L HN 0.597 nan 8.230 nan 0.000 0.427 499 D N 0.274 120.652 120.400 -0.036 0.000 2.457 499 D HA 0.376 4.977 4.640 -0.065 0.000 0.240 499 D C -0.913 175.435 176.300 0.080 0.000 1.041 499 D CA -0.471 53.523 54.000 -0.010 0.000 0.861 499 D CB 1.434 42.250 40.800 0.027 0.000 1.394 499 D HN 0.225 nan 8.370 nan 0.000 0.473 500 Y N 1.198 121.579 120.300 0.135 0.000 2.811 500 Y HA -0.073 4.438 4.550 -0.065 0.000 0.334 500 Y C 1.292 177.188 175.900 -0.006 0.000 1.247 500 Y CA 0.092 58.227 58.100 0.058 0.000 1.526 500 Y CB 0.345 38.805 38.460 -0.000 0.000 1.284 500 Y HN 0.288 nan 8.280 nan 0.000 0.586 501 N N 5.592 124.370 118.700 0.131 0.000 2.434 501 N HA 0.003 4.704 4.740 -0.065 0.000 0.268 501 N C -1.908 173.611 175.510 0.015 0.000 1.256 501 N CA -1.322 51.748 53.050 0.033 0.000 0.914 501 N CB 1.052 39.520 38.487 -0.031 0.000 1.088 501 N HN 0.334 nan 8.380 nan 0.000 0.478 502 P HA -0.013 nan 4.420 nan 0.000 0.234 502 P C 0.330 177.612 177.300 -0.029 0.000 1.167 502 P CA 0.457 63.553 63.100 -0.008 0.000 0.763 502 P CB 0.400 32.097 31.700 -0.004 0.000 0.835 503 D N -0.420 119.959 120.400 -0.035 0.000 2.018 503 D HA 0.092 4.694 4.640 -0.065 0.000 0.296 503 D C 0.543 176.809 176.300 -0.056 0.000 1.100 503 D CA 0.578 54.552 54.000 -0.043 0.000 0.986 503 D CB 0.099 40.874 40.800 -0.043 0.000 1.127 503 D HN -0.167 nan 8.370 nan 0.000 0.421 504 N N -2.428 116.235 118.700 -0.062 0.000 5.342 504 N HA -0.066 4.635 4.740 -0.065 0.000 0.209 504 N C -1.688 173.785 175.510 -0.061 0.000 1.111 504 N CA 0.364 53.372 53.050 -0.070 0.000 0.682 504 N CB -0.485 37.961 38.487 -0.069 0.000 1.703 504 N HN 0.395 nan 8.380 nan 0.000 0.462 505 S N -0.582 115.080 115.700 -0.063 0.000 3.294 505 S HA -0.087 4.344 4.470 -0.065 0.000 0.853 505 S C -2.999 171.562 174.600 -0.066 0.000 1.111 505 S CA -0.127 58.039 58.200 -0.058 0.000 1.104 505 S CB -0.318 62.855 63.200 -0.045 0.000 0.765 505 S HN 0.516 nan 8.310 nan 0.000 0.265 506 P HA 0.359 nan 4.420 nan 0.000 0.287 506 P C 0.025 177.298 177.300 -0.046 0.000 1.307 506 P CA -0.306 62.756 63.100 -0.062 0.000 0.777 506 P CB 0.418 32.083 31.700 -0.058 0.000 0.883 507 T N -0.049 114.479 114.554 -0.043 0.000 3.331 507 T HA 0.490 4.801 4.350 -0.065 0.000 0.282 507 T C 0.572 175.240 174.700 -0.054 0.000 1.010 507 T CA -0.474 61.598 62.100 -0.047 0.000 0.928 507 T CB 0.069 68.919 68.868 -0.029 0.000 1.154 507 T HN 0.374 nan 8.240 nan 0.000 0.516 508 A N 2.628 125.410 122.820 -0.064 0.000 2.462 508 A HA 0.525 4.806 4.320 -0.065 0.000 0.243 508 A C -0.970 176.552 177.584 -0.102 0.000 1.076 508 A CA -1.219 50.775 52.037 -0.071 0.000 0.773 508 A CB 0.198 19.157 19.000 -0.069 0.000 1.010 508 A HN 0.120 nan 8.150 nan 0.000 0.493 509 P HA -0.221 nan 4.420 nan 0.000 0.218 509 P C 1.107 178.264 177.300 -0.238 0.000 1.165 509 P CA 2.291 65.303 63.100 -0.146 0.000 0.922 509 P CB 0.037 31.670 31.700 -0.112 0.000 0.794 510 L N -7.808 113.276 121.223 -0.233 0.000 1.978 510 L HA -0.152 4.149 4.340 -0.065 0.000 0.494 510 L C -0.631 176.005 176.870 -0.390 0.000 0.718 510 L CA 1.335 55.956 54.840 -0.364 0.000 3.193 510 L CB -1.417 40.290 42.059 -0.586 0.000 0.700 510 L HN 0.001 nan 8.230 nan 0.000 0.762 511 Y N 1.187 121.385 120.300 -0.170 0.000 2.429 511 Y HA 0.702 5.212 4.550 -0.067 0.000 0.342 511 Y C 0.112 175.920 175.900 -0.153 0.000 1.004 511 Y CA -1.029 56.962 58.100 -0.181 0.000 1.075 511 Y CB 1.508 39.792 38.460 -0.292 0.000 1.214 511 Y HN -0.018 nan 8.280 nan 0.000 0.455 512 L N 3.733 124.999 121.223 0.072 0.000 2.325 512 L HA 0.590 4.891 4.340 -0.065 0.000 0.279 512 L C -0.814 176.065 176.870 0.014 0.000 1.054 512 L CA -1.081 53.772 54.840 0.021 0.000 0.804 512 L CB 1.309 43.380 42.059 0.021 0.000 1.200 512 L HN 0.330 nan 8.230 nan 0.000 0.436 513 V N 3.223 123.144 119.914 0.011 0.000 2.417 513 V HA 0.350 4.431 4.120 -0.065 0.000 0.291 513 V C -0.162 175.974 176.094 0.070 0.000 1.024 513 V CA -0.763 61.565 62.300 0.047 0.000 0.861 513 V CB 1.635 33.512 31.823 0.089 0.000 0.985 513 V HN 0.747 nan 8.190 nan 0.000 0.436 514 K N 4.647 125.098 120.400 0.085 0.000 2.323 514 K HA 0.647 4.928 4.320 -0.065 0.000 0.259 514 K C -1.520 175.147 176.600 0.111 0.000 0.947 514 K CA -0.867 55.472 56.287 0.087 0.000 0.819 514 K CB 1.997 34.551 32.500 0.089 0.000 1.109 514 K HN 0.327 nan 8.250 nan 0.000 0.429 515 L N 3.596 124.848 121.223 0.049 0.000 2.313 515 L HA 0.228 4.529 4.340 -0.065 0.000 0.282 515 L C 0.410 177.383 176.870 0.171 0.000 1.092 515 L CA 0.137 54.984 54.840 0.010 0.000 0.831 515 L CB 0.696 42.482 42.059 -0.455 0.000 1.159 515 L HN 0.598 nan 8.230 nan 0.000 0.442 516 K N 4.756 125.363 120.400 0.346 0.000 2.258 516 K HA 0.257 4.538 4.320 -0.065 0.000 0.264 516 K C -2.220 174.653 176.600 0.455 0.000 1.007 516 K CA -1.522 54.969 56.287 0.340 0.000 0.941 516 K CB 0.343 33.024 32.500 0.301 0.000 0.966 516 K HN 0.290 nan 8.250 nan 0.000 0.480 517 P HA 0.027 nan 4.420 nan 0.000 0.271 517 P C -0.206 177.253 177.300 0.264 0.000 1.218 517 P CA -0.623 62.663 63.100 0.310 0.000 0.780 517 P CB 0.342 32.139 31.700 0.162 0.000 0.901 518 L N 2.812 124.163 121.223 0.212 0.000 2.573 518 L HA 0.073 4.374 4.340 -0.065 0.000 0.290 518 L C 0.757 177.583 176.870 -0.073 0.000 1.247 518 L CA 1.379 56.209 54.840 -0.016 0.000 0.876 518 L CB -1.095 40.911 42.059 -0.087 0.000 1.123 518 L HN 0.507 nan 8.230 nan 0.000 0.505 519 M N 1.382 120.917 119.600 -0.109 0.000 2.578 519 M HA 0.535 4.976 4.480 -0.065 0.000 0.276 519 M C -1.463 174.797 176.300 -0.067 0.000 1.245 519 M CA -0.822 54.413 55.300 -0.108 0.000 0.871 519 M CB 1.985 34.594 32.600 0.015 0.000 1.722 519 M HN 0.031 nan 8.290 nan 0.000 0.473 520 F N 1.471 121.425 119.950 0.006 0.000 2.396 520 F HA 0.616 5.104 4.527 -0.065 0.000 0.343 520 F C 0.086 175.902 175.800 0.026 0.000 1.104 520 F CA -0.247 57.759 58.000 0.009 0.000 1.161 520 F CB 1.096 40.101 39.000 0.008 0.000 1.146 520 F HN 0.609 nan 8.300 nan 0.000 0.522 521 E N 0.589 120.940 120.200 0.251 0.000 2.383 521 E HA 0.239 4.550 4.350 -0.065 0.000 0.275 521 E C -1.377 175.261 176.600 0.064 0.000 0.918 521 E CA -1.356 55.125 56.400 0.134 0.000 0.764 521 E CB 2.273 32.041 29.700 0.113 0.000 1.252 521 E HN 0.369 nan 8.360 nan 0.000 0.449 522 Q N 0.826 120.625 119.800 -0.002 0.000 2.349 522 Q HA 0.186 4.488 4.340 -0.065 0.000 0.287 522 Q C 0.063 176.021 176.000 -0.069 0.000 1.044 522 Q CA 0.496 56.243 55.803 -0.092 0.000 0.918 522 Q CB 0.741 29.342 28.738 -0.227 0.000 1.242 522 Q HN 0.664 nan 8.270 nan 0.000 0.405 523 G N 1.740 110.494 108.800 -0.076 0.000 2.570 523 G HA2 0.430 4.351 3.960 -0.065 0.000 0.276 523 G HA3 0.430 4.351 3.960 -0.065 0.000 0.276 523 G C -0.463 174.392 174.900 -0.075 0.000 1.346 523 G CA -0.049 45.024 45.100 -0.045 0.000 1.034 523 G HN 1.145 nan 8.290 nan 0.000 0.512 524 C N -2.985 116.277 119.300 -0.064 0.000 3.336 524 C HA 0.678 5.099 4.460 -0.065 0.000 0.339 524 C C 1.525 176.493 174.990 -0.038 0.000 1.468 524 C CA -0.836 58.144 59.018 -0.063 0.000 1.287 524 C CB 1.242 28.930 27.740 -0.087 0.000 1.682 524 C HN 0.927 nan 8.230 nan 0.000 0.451 525 R N -0.587 119.915 120.500 0.004 0.000 2.103 525 R HA -0.113 4.189 4.340 -0.065 0.000 0.242 525 R C 1.602 177.918 176.300 0.026 0.000 1.142 525 R CA 1.782 57.929 56.100 0.078 0.000 0.960 525 R CB -0.297 30.091 30.300 0.147 0.000 0.858 525 R HN 0.739 nan 8.270 nan 0.000 0.439 526 L N 0.361 121.556 121.223 -0.046 0.000 2.109 526 L HA -0.081 4.221 4.340 -0.065 0.000 0.207 526 L C 2.516 179.312 176.870 -0.122 0.000 1.086 526 L CA 2.254 57.050 54.840 -0.073 0.000 0.760 526 L CB -0.844 41.084 42.059 -0.218 0.000 0.910 526 L HN 0.428 nan 8.230 nan 0.000 0.437 527 T N -3.986 110.422 114.554 -0.243 0.000 2.985 527 T HA -0.120 4.192 4.350 -0.065 0.000 0.266 527 T C 2.045 176.777 174.700 0.053 0.000 1.076 527 T CA 0.562 62.642 62.100 -0.033 0.000 1.135 527 T CB -0.198 68.647 68.868 -0.038 0.000 0.890 527 T HN 0.241 nan 8.240 nan 0.000 0.480 528 R N 0.381 120.876 120.500 -0.008 0.000 2.090 528 R HA 0.135 4.436 4.340 -0.065 0.000 0.228 528 R C 2.737 178.977 176.300 -0.100 0.000 1.110 528 R CA 1.177 57.282 56.100 0.009 0.000 0.973 528 R CB -0.224 30.118 30.300 0.070 0.000 0.869 528 R HN 0.266 nan 8.270 nan 0.000 0.440 529 R N 0.282 120.571 120.500 -0.352 0.000 2.062 529 R HA -0.026 4.275 4.340 -0.065 0.000 0.229 529 R C 1.179 176.947 176.300 -0.886 0.000 1.128 529 R CA 1.656 57.182 56.100 -0.956 0.000 0.960 529 R CB -0.153 29.118 30.300 -1.716 0.000 0.855 529 R HN 0.150 nan 8.270 nan 0.000 0.432 530 F N -1.121 118.734 119.950 -0.157 0.000 2.724 530 F HA 0.459 4.950 4.527 -0.059 0.000 0.306 530 F C 0.495 176.345 175.800 0.082 0.000 1.100 530 F CA 0.319 58.294 58.000 -0.043 0.000 1.255 530 F CB 1.208 40.271 39.000 0.105 0.000 1.072 530 F HN 0.248 nan 8.300 nan 0.000 0.589 531 G N 1.213 110.181 108.800 0.281 0.000 3.233 531 G HA2 -0.095 3.826 3.960 -0.065 0.000 0.686 531 G HA3 -0.095 3.826 3.960 -0.065 0.000 0.686 531 G C -2.461 172.660 174.900 0.368 0.000 1.153 531 G CA -1.086 44.143 45.100 0.215 0.000 0.853 531 G HN -0.087 nan 8.290 nan 0.000 0.582 532 P HA -0.020 nan 4.420 nan 0.000 0.220 532 P C 1.500 179.002 177.300 0.336 0.000 1.148 532 P CA 1.610 64.941 63.100 0.386 0.000 0.803 532 P CB 0.093 32.009 31.700 0.360 0.000 0.782 533 D N -0.932 119.463 120.400 -0.007 0.000 2.363 533 D HA -0.108 4.493 4.640 -0.065 0.000 0.220 533 D C 1.302 177.528 176.300 -0.124 0.000 0.994 533 D CA 0.471 54.169 54.000 -0.502 0.000 0.890 533 D CB -0.330 39.803 40.800 -1.112 0.000 0.906 533 D HN 0.226 nan 8.370 nan 0.000 0.530 534 R N -0.604 119.908 120.500 0.021 0.000 2.427 534 R HA 0.236 4.537 4.340 -0.065 0.000 0.262 534 R C -0.494 175.706 176.300 -0.167 0.000 0.943 534 R CA -0.176 55.791 56.100 -0.223 0.000 1.081 534 R CB 0.307 30.354 30.300 -0.422 0.000 1.166 534 R HN 0.064 nan 8.270 nan 0.000 0.534 535 F N -0.007 120.254 119.950 0.517 0.000 2.540 535 F HA 0.390 4.882 4.527 -0.058 0.000 0.317 535 F C -0.475 175.634 175.800 0.515 0.000 1.104 535 F CA -1.261 57.115 58.000 0.627 0.000 0.913 535 F CB 1.611 40.917 39.000 0.509 0.000 1.170 535 F HN -0.219 nan 8.300 nan 0.000 0.450 536 F N 3.562 123.752 119.950 0.400 0.000 2.569 536 F HA 0.527 5.013 4.527 -0.067 0.000 0.312 536 F C -1.164 174.741 175.800 0.175 0.000 1.109 536 F CA -1.045 56.914 58.000 -0.068 0.000 0.919 536 F CB 1.630 40.043 39.000 -0.978 0.000 1.211 536 F HN 0.618 nan 8.300 nan 0.000 0.446 537 E N 7.175 127.076 120.200 -0.497 0.000 2.272 537 E HA 0.652 4.963 4.350 -0.065 0.000 0.269 537 E C -1.506 174.687 176.600 -0.678 0.000 0.877 537 E CA -0.950 55.138 56.400 -0.520 0.000 0.755 537 E CB 2.883 32.382 29.700 -0.335 0.000 1.192 537 E HN 0.745 nan 8.360 nan 0.000 0.422 538 I N -0.124 120.158 120.570 -0.480 0.000 2.892 538 I HA 0.543 4.674 4.170 -0.065 0.000 0.306 538 I C -1.311 174.705 176.117 -0.168 0.000 1.078 538 I CA -1.542 59.590 61.300 -0.281 0.000 1.032 538 I CB 1.838 39.746 38.000 -0.153 0.000 1.229 538 I HN 0.547 nan 8.210 nan 0.000 0.435 539 L N 5.348 126.509 121.223 -0.103 0.000 2.295 539 L HA 0.603 4.904 4.340 -0.065 0.000 0.285 539 L C -0.613 176.188 176.870 -0.116 0.000 1.035 539 L CA -0.562 54.222 54.840 -0.093 0.000 0.806 539 L CB 1.917 43.942 42.059 -0.056 0.000 1.214 539 L HN 0.585 nan 8.230 nan 0.000 0.426 540 I N 4.935 125.419 120.570 -0.142 0.000 2.569 540 I HA 0.417 4.548 4.170 -0.065 0.000 0.290 540 I C -2.432 173.561 176.117 -0.207 0.000 1.088 540 I CA -2.191 58.968 61.300 -0.235 0.000 1.047 540 I CB 3.267 41.130 38.000 -0.228 0.000 1.237 540 I HN 0.322 nan 8.210 nan 0.000 0.421 541 P HA -0.027 nan 4.420 nan 0.000 0.262 541 P C -0.753 176.504 177.300 -0.072 0.000 1.182 541 P CA 0.263 63.246 63.100 -0.195 0.000 0.761 541 P CB 0.514 31.921 31.700 -0.488 0.000 0.795 542 S N 5.080 120.772 115.700 -0.014 0.000 2.498 542 S HA 0.125 4.556 4.470 -0.065 0.000 0.281 542 S C -1.104 173.544 174.600 0.080 0.000 1.265 542 S CA -1.193 57.013 58.200 0.010 0.000 1.071 542 S CB -0.208 62.981 63.200 -0.019 0.000 0.894 542 S HN 0.321 nan 8.310 nan 0.000 0.491 543 P HA 0.014 nan 4.420 nan 0.000 0.239 543 P C 0.700 178.042 177.300 0.071 0.000 1.184 543 P CA 0.700 63.883 63.100 0.139 0.000 0.760 543 P CB -0.300 31.485 31.700 0.142 0.000 0.884 544 T N -5.062 109.506 114.554 0.023 0.000 3.174 544 T HA 0.152 4.463 4.350 -0.065 0.000 0.269 544 T C 0.666 175.355 174.700 -0.017 0.000 1.017 544 T CA -0.298 61.794 62.100 -0.013 0.000 0.899 544 T CB -0.701 68.134 68.868 -0.055 0.000 1.077 544 T HN -0.047 nan 8.240 nan 0.000 0.552 545 S N 3.190 118.899 115.700 0.014 0.000 3.065 545 S HA 0.232 4.663 4.470 -0.065 0.000 0.311 545 S C 0.603 175.207 174.600 0.006 0.000 1.204 545 S CA -0.470 57.736 58.200 0.009 0.000 1.040 545 S CB -0.822 62.405 63.200 0.045 0.000 1.436 545 S HN 0.603 nan 8.310 nan 0.000 0.532 546 T N 4.136 118.680 114.554 -0.017 0.000 2.784 546 T HA 0.405 4.716 4.350 -0.065 0.000 0.291 546 T C 0.448 175.136 174.700 -0.020 0.000 0.942 546 T CA 0.004 62.092 62.100 -0.020 0.000 1.161 546 T CB 0.046 68.898 68.868 -0.027 0.000 0.885 546 T HN 0.646 nan 8.240 nan 0.000 0.534 547 S N 4.773 120.465 115.700 -0.013 0.000 4.151 547 S HA 0.437 4.868 4.470 -0.065 0.000 0.220 547 S C -2.011 172.583 174.600 -0.009 0.000 1.151 547 S CA -0.532 57.660 58.200 -0.014 0.000 1.347 547 S CB 0.088 63.276 63.200 -0.020 0.000 1.781 547 S HN 0.563 nan 8.310 nan 0.000 0.681 548 P HA 0.219 nan 4.420 nan 0.000 0.252 548 P C 0.617 177.896 177.300 -0.035 0.000 1.218 548 P CA 0.598 63.682 63.100 -0.026 0.000 0.807 548 P CB -0.102 31.585 31.700 -0.021 0.000 1.072 549 S N -0.417 115.269 115.700 -0.023 0.000 2.743 549 S HA 0.190 4.622 4.470 -0.065 0.000 0.230 549 S C 0.600 175.172 174.600 -0.047 0.000 0.950 549 S CA -0.500 57.685 58.200 -0.025 0.000 0.976 549 S CB -1.485 61.715 63.200 0.001 0.000 0.779 549 S HN 0.039 nan 8.310 nan 0.000 0.487 550 V N -0.861 119.000 119.914 -0.089 0.000 2.539 550 V HA 0.666 4.747 4.120 -0.065 0.000 0.292 550 V C -2.557 173.362 176.094 -0.291 0.000 1.045 550 V CA -2.658 59.511 62.300 -0.218 0.000 0.945 550 V CB 0.661 32.385 31.823 -0.166 0.000 0.993 550 V HN 0.145 nan 8.190 nan 0.000 0.464 551 P HA 0.194 nan 4.420 nan 0.000 0.265 551 P C -2.377 174.765 177.300 -0.262 0.000 1.187 551 P CA -0.933 61.950 63.100 -0.362 0.000 0.766 551 P CB 0.244 31.649 31.700 -0.492 0.000 0.820 552 P HA -0.170 nan 4.420 nan 0.000 0.214 552 P C 1.655 178.882 177.300 -0.121 0.000 1.162 552 P CA 1.043 64.067 63.100 -0.126 0.000 0.879 552 P CB -0.402 31.239 31.700 -0.097 0.000 0.786 553 V N -0.896 118.942 119.914 -0.127 0.000 2.352 553 V HA -0.228 3.853 4.120 -0.065 0.000 0.266 553 V C 0.842 176.860 176.094 -0.126 0.000 1.117 553 V CA 1.891 64.116 62.300 -0.126 0.000 1.109 553 V CB -1.165 30.571 31.823 -0.145 0.000 0.705 553 V HN -0.093 nan 8.190 nan 0.000 0.455 554 V N 1.688 121.504 119.914 -0.163 0.000 2.398 554 V HA 0.559 4.640 4.120 -0.065 0.000 0.286 554 V C 0.727 176.764 176.094 -0.096 0.000 1.026 554 V CA 0.300 62.526 62.300 -0.122 0.000 0.868 554 V CB 0.930 32.668 31.823 -0.142 0.000 0.982 554 V HN 1.425 nan 8.190 nan 0.000 0.443 555 S N 4.127 119.796 115.700 -0.051 0.000 3.524 555 S HA -0.201 4.230 4.470 -0.065 0.000 0.377 555 S C 0.249 174.819 174.600 -0.049 0.000 0.949 555 S CA 1.537 59.714 58.200 -0.038 0.000 1.264 555 S CB -1.153 62.031 63.200 -0.028 0.000 0.918 555 S HN 0.912 nan 8.310 nan 0.000 0.517 556 K N 0.300 120.671 120.400 -0.049 0.000 2.826 556 K HA 0.204 4.485 4.320 -0.065 0.000 0.206 556 K C 0.050 176.633 176.600 -0.029 0.000 1.116 556 K CA -0.328 55.937 56.287 -0.037 0.000 1.045 556 K CB 0.595 33.069 32.500 -0.042 0.000 0.758 556 K HN 0.473 nan 8.250 nan 0.000 0.465 557 Q N 1.271 121.056 119.800 -0.025 0.000 3.048 557 Q HA 0.230 4.531 4.340 -0.065 0.000 0.337 557 Q C -2.789 173.211 176.000 0.000 0.000 0.845 557 Q CA -1.651 54.143 55.803 -0.015 0.000 0.942 557 Q CB 1.501 30.225 28.738 -0.024 0.000 1.454 557 Q HN 0.060 nan 8.270 nan 0.000 0.392 558 P HA -0.111 nan 4.420 nan 0.000 0.263 558 P C -0.363 176.957 177.300 0.033 0.000 1.168 558 P CA 0.652 63.763 63.100 0.018 0.000 0.759 558 P CB 0.435 32.147 31.700 0.020 0.000 0.782 559 A N 3.459 126.306 122.820 0.046 0.000 1.797 559 A HA -0.066 4.215 4.320 -0.065 0.000 0.241 559 A C 1.217 178.834 177.584 0.056 0.000 1.262 559 A CA 0.624 52.702 52.037 0.068 0.000 0.738 559 A CB -1.599 17.455 19.000 0.090 0.000 1.189 559 A HN 0.649 nan 8.150 nan 0.000 0.272 560 A N 2.393 125.238 122.820 0.043 0.000 2.359 560 A HA 0.427 4.708 4.320 -0.065 0.000 0.240 560 A C 1.592 179.217 177.584 0.068 0.000 1.306 560 A CA 0.762 52.830 52.037 0.051 0.000 0.898 560 A CB -0.213 18.801 19.000 0.024 0.000 0.956 560 A HN 1.404 nan 8.150 nan 0.000 0.497 561 V N -0.239 119.716 119.914 0.068 0.000 2.490 561 V HA -0.222 3.859 4.120 -0.065 0.000 0.250 561 V C 2.358 178.519 176.094 0.112 0.000 1.061 561 V CA 2.337 64.680 62.300 0.073 0.000 1.064 561 V CB -0.483 31.354 31.823 0.023 0.000 0.670 561 V HN 0.641 nan 8.190 nan 0.000 0.461 562 E N -0.287 119.994 120.200 0.135 0.000 2.208 562 E HA -0.185 4.126 4.350 -0.065 0.000 0.193 562 E C 2.123 178.816 176.600 0.155 0.000 0.988 562 E CA 0.868 57.380 56.400 0.186 0.000 0.828 562 E CB -0.079 29.738 29.700 0.196 0.000 0.763 562 E HN 0.629 nan 8.360 nan 0.000 0.478 563 E N -0.350 119.921 120.200 0.117 0.000 2.112 563 E HA -0.070 4.241 4.350 -0.065 0.000 0.190 563 E C 1.746 178.454 176.600 0.180 0.000 0.979 563 E CA 0.506 56.961 56.400 0.093 0.000 0.814 563 E CB 0.110 29.831 29.700 0.036 0.000 0.762 563 E HN 0.036 nan 8.360 nan 0.000 0.460 564 V N 0.657 120.693 119.914 0.204 0.000 2.307 564 V HA -0.234 3.847 4.120 -0.065 0.000 0.245 564 V C 2.223 178.579 176.094 0.437 0.000 1.045 564 V CA 1.697 64.192 62.300 0.324 0.000 1.024 564 V CB -0.343 31.648 31.823 0.281 0.000 0.651 564 V HN 0.343 nan 8.190 nan 0.000 0.449 565 I N -0.539 120.222 120.570 0.319 0.000 2.226 565 I HA -0.306 3.825 4.170 -0.065 0.000 0.245 565 I C 2.629 178.894 176.117 0.246 0.000 1.100 565 I CA 1.684 63.170 61.300 0.310 0.000 1.374 565 I CB -0.427 37.743 38.000 0.284 0.000 1.057 565 I HN 0.381 nan 8.210 nan 0.000 0.413 566 Q N 0.135 120.067 119.800 0.220 0.000 2.096 566 Q HA -0.283 4.018 4.340 -0.065 0.000 0.204 566 Q C 2.140 178.268 176.000 0.212 0.000 0.982 566 Q CA 2.190 58.088 55.803 0.158 0.000 0.850 566 Q CB -0.247 28.551 28.738 0.101 0.000 0.901 566 Q HN 0.605 nan 8.270 nan 0.000 0.422 567 W N 0.945 122.322 121.300 0.127 0.000 2.338 567 W HA -0.216 4.407 4.660 -0.061 0.000 0.304 567 W C 1.518 178.262 176.519 0.375 0.000 1.212 567 W CA 1.444 58.912 57.345 0.204 0.000 1.264 567 W CB -0.449 29.147 29.460 0.226 0.000 1.142 567 W HN 0.113 nan 8.180 nan 0.000 0.512 568 L N 0.110 121.478 121.223 0.242 0.000 2.046 568 L HA -0.206 4.095 4.340 -0.065 0.000 0.208 568 L C 2.610 179.526 176.870 0.076 0.000 1.077 568 L CA 2.238 57.116 54.840 0.064 0.000 0.747 568 L CB -0.976 41.215 42.059 0.220 0.000 0.896 568 L HN 0.228 nan 8.230 nan 0.000 0.432 569 T N -5.386 109.159 114.554 -0.015 0.000 2.978 569 T HA 0.004 4.315 4.350 -0.065 0.000 0.248 569 T C 1.688 176.342 174.700 -0.076 0.000 1.018 569 T CA -0.133 61.886 62.100 -0.136 0.000 1.026 569 T CB 0.060 68.734 68.868 -0.323 0.000 1.032 569 T HN 0.068 nan 8.240 nan 0.000 0.485 570 M N 1.614 121.186 119.600 -0.048 0.000 2.394 570 M HA 0.255 4.697 4.480 -0.065 0.000 0.264 570 M C 0.900 177.125 176.300 -0.126 0.000 1.073 570 M CA 1.038 56.296 55.300 -0.070 0.000 1.111 570 M CB -0.170 32.420 32.600 -0.015 0.000 1.401 570 M HN 0.526 nan 8.290 nan 0.000 0.448 571 G N -0.717 108.001 108.800 -0.138 0.000 2.749 571 G HA2 0.385 4.307 3.960 -0.065 0.000 0.300 571 G HA3 0.385 4.307 3.960 -0.065 0.000 0.300 571 G C -1.665 173.123 174.900 -0.187 0.000 1.352 571 G CA -0.711 44.285 45.100 -0.173 0.000 0.789 571 G HN 0.286 nan 8.290 nan 0.000 0.509 572 Q N -0.132 119.562 119.800 -0.177 0.000 2.306 572 Q HA 0.372 4.673 4.340 -0.065 0.000 0.241 572 Q C -0.807 175.057 176.000 -0.227 0.000 0.948 572 Q CA -0.315 55.416 55.803 -0.120 0.000 0.886 572 Q CB 1.115 29.782 28.738 -0.118 0.000 1.227 572 Q HN 0.481 nan 8.270 nan 0.000 0.457 573 H N 0.406 119.485 119.070 0.015 0.000 2.505 573 H HA 0.267 4.792 4.556 -0.052 0.000 0.338 573 H C -0.784 174.489 175.328 -0.091 0.000 1.057 573 H CA -0.435 55.593 56.048 -0.033 0.000 1.202 573 H CB 1.707 31.354 29.762 -0.192 0.000 1.466 573 H HN 0.494 nan 8.280 nan 0.000 0.499 574 S N 3.571 119.284 115.700 0.023 0.000 2.465 574 S HA 0.279 4.710 4.470 -0.065 0.000 0.279 574 S C -0.197 174.349 174.600 -0.089 0.000 1.201 574 S CA -0.494 57.695 58.200 -0.018 0.000 1.053 574 S CB 0.179 63.398 63.200 0.032 0.000 0.953 574 S HN 0.329 nan 8.310 nan 0.000 0.488 575 L N 4.565 125.749 121.223 -0.064 0.000 2.516 575 L HA 0.430 4.731 4.340 -0.065 0.000 0.267 575 L C -0.037 176.749 176.870 -0.140 0.000 0.957 575 L CA -0.264 54.456 54.840 -0.200 0.000 0.860 575 L CB 1.423 43.056 42.059 -0.711 0.000 1.265 575 L HN 0.435 nan 8.230 nan 0.000 0.403 576 V N 5.419 125.120 119.914 -0.356 0.000 5.175 576 V HA -0.191 3.890 4.120 -0.065 0.000 0.279 576 V C 1.546 176.886 176.094 -1.258 0.000 0.571 576 V CA 1.885 63.718 62.300 -0.778 0.000 0.694 576 V CB -2.005 29.685 31.823 -0.222 0.000 0.525 576 V HN 1.686 nan 8.190 nan 0.000 1.093 577 G N -0.729 107.353 108.800 -1.197 0.000 2.159 577 G HA2 -0.309 3.613 3.960 -0.065 0.000 0.256 577 G HA3 -0.309 3.613 3.960 -0.065 0.000 0.256 577 G C 0.074 174.697 174.900 -0.462 0.000 0.977 577 G CA 0.593 45.231 45.100 -0.770 0.000 0.652 577 G HN 0.791 nan 8.290 nan 0.000 0.531 578 R N -0.437 119.783 120.500 -0.467 0.000 2.787 578 R HA 0.654 4.955 4.340 -0.065 0.000 0.271 578 R C -0.364 175.460 176.300 -0.793 0.000 0.993 578 R CA -0.707 54.943 56.100 -0.749 0.000 0.993 578 R CB 0.803 30.440 30.300 -1.105 0.000 1.155 578 R HN 0.090 nan 8.270 nan 0.000 0.486 579 Q N 1.665 120.897 119.800 -0.946 0.000 2.431 579 Q HA 0.168 4.469 4.340 -0.065 0.000 0.249 579 Q C -1.309 174.296 176.000 -0.658 0.000 1.025 579 Q CA -0.103 55.327 55.803 -0.622 0.000 0.835 579 Q CB 1.076 29.533 28.738 -0.467 0.000 1.207 579 Q HN 0.411 nan 8.270 nan 0.000 0.490 580 W N 2.136 123.324 121.300 -0.186 0.000 2.390 580 W HA 0.490 5.114 4.660 -0.060 0.000 0.312 580 W C 0.582 177.236 176.519 0.225 0.000 1.123 580 W CA -0.703 56.633 57.345 -0.016 0.000 1.202 580 W CB 0.975 30.384 29.460 -0.085 0.000 1.251 580 W HN 0.296 nan 8.180 nan 0.000 0.511 581 R N 2.356 123.167 120.500 0.518 0.000 2.534 581 R HA 0.732 5.033 4.340 -0.065 0.000 0.301 581 R C -0.573 176.037 176.300 0.517 0.000 0.961 581 R CA -0.732 55.644 56.100 0.461 0.000 0.871 581 R CB 1.124 31.590 30.300 0.276 0.000 1.170 581 R HN 0.564 nan 8.270 nan 0.000 0.446 582 A N 4.169 127.147 122.820 0.264 0.000 2.477 582 A HA 0.348 4.629 4.320 -0.065 0.000 0.246 582 A C 0.003 177.704 177.584 0.194 0.000 1.078 582 A CA 0.017 51.991 52.037 -0.105 0.000 0.770 582 A CB -0.372 18.423 19.000 -0.342 0.000 1.011 582 A HN 0.891 nan 8.150 nan 0.000 0.494 583 F N -0.036 120.017 119.950 0.172 0.000 2.912 583 F HA 0.634 5.120 4.527 -0.069 0.000 0.357 583 F C -0.512 175.582 175.800 0.491 0.000 1.003 583 F CA -0.771 57.392 58.000 0.272 0.000 1.132 583 F CB 0.489 39.596 39.000 0.178 0.000 1.055 583 F HN 0.383 nan 8.300 nan 0.000 0.572 584 F N 1.761 121.542 119.950 -0.283 0.000 2.619 584 F HA 0.806 5.293 4.527 -0.067 0.000 0.308 584 F C -1.304 174.518 175.800 0.037 0.000 1.097 584 F CA -1.397 56.535 58.000 -0.114 0.000 0.953 584 F CB 1.959 40.642 39.000 -0.528 0.000 1.287 584 F HN 0.177 nan 8.300 nan 0.000 0.446 585 A N 4.830 127.165 122.820 -0.808 0.000 2.549 585 A HA 0.814 5.095 4.320 -0.065 0.000 0.297 585 A C -1.586 175.460 177.584 -0.897 0.000 1.061 585 A CA -0.628 50.916 52.037 -0.823 0.000 0.690 585 A CB 2.228 20.467 19.000 -1.268 0.000 1.287 585 A HN 0.797 nan 8.150 nan 0.000 0.402 586 K N 0.939 121.055 120.400 -0.473 0.000 2.615 586 K HA 0.272 4.554 4.320 -0.065 0.000 0.291 586 K C -1.606 174.911 176.600 -0.139 0.000 1.017 586 K CA -0.509 55.615 56.287 -0.273 0.000 0.882 586 K CB 1.432 33.862 32.500 -0.115 0.000 1.522 586 K HN 0.959 nan 8.250 nan 0.000 0.412 587 D N 1.042 121.397 120.400 -0.075 0.000 2.357 587 D HA 0.228 4.830 4.640 -0.065 0.000 0.242 587 D C -0.188 176.103 176.300 -0.016 0.000 1.153 587 D CA -0.330 53.640 54.000 -0.050 0.000 0.918 587 D CB 0.899 41.679 40.800 -0.033 0.000 1.181 587 D HN 0.598 nan 8.370 nan 0.000 0.435 588 A N 0.743 123.552 122.820 -0.018 0.000 2.371 588 A HA 0.556 4.837 4.320 -0.065 0.000 0.257 588 A C 0.817 178.413 177.584 0.020 0.000 1.089 588 A CA -0.054 51.982 52.037 -0.002 0.000 0.794 588 A CB 0.393 19.385 19.000 -0.014 0.000 1.029 588 A HN 0.659 nan 8.150 nan 0.000 0.488 605 K N 1.925 122.328 120.400 0.004 0.000 2.366 605 K HA 0.320 4.601 4.320 -0.065 0.000 0.279 605 K C -2.196 174.411 176.600 0.011 0.000 1.098 605 K CA -0.154 56.136 56.287 0.005 0.000 1.087 605 K CB -1.237 31.264 32.500 0.001 0.000 0.901 605 K HN 0.192 nan 8.250 nan 0.000 0.463 606 P HA 0.076 nan 4.420 nan 0.000 0.270 606 P C -0.342 176.973 177.300 0.026 0.000 1.223 606 P CA -0.343 62.771 63.100 0.022 0.000 0.785 606 P CB 0.512 32.223 31.700 0.019 0.000 0.923 607 I N 2.589 123.185 120.570 0.043 0.000 2.379 607 I HA 0.141 4.272 4.170 -0.065 0.000 0.290 607 I C 1.130 177.262 176.117 0.024 0.000 1.063 607 I CA -0.680 60.651 61.300 0.053 0.000 1.351 607 I CB -0.127 37.944 38.000 0.120 0.000 1.410 607 I HN 0.287 nan 8.210 nan 0.000 0.505 608 I N 4.229 124.803 120.570 0.006 0.000 2.775 608 I HA 0.083 4.215 4.170 -0.065 0.000 0.290 608 I C -0.238 175.863 176.117 -0.025 0.000 1.203 608 I CA 0.159 61.451 61.300 -0.013 0.000 1.433 608 I CB 0.168 38.153 38.000 -0.025 0.000 1.354 608 I HN 0.584 nan 8.210 nan 0.000 0.579 609 K N 5.291 125.668 120.400 -0.038 0.000 2.156 609 K HA 0.481 4.762 4.320 -0.065 0.000 0.250 609 K C -0.654 175.905 176.600 -0.069 0.000 0.955 609 K CA -0.820 55.430 56.287 -0.061 0.000 0.855 609 K CB 1.621 34.082 32.500 -0.065 0.000 1.101 609 K HN 0.585 nan 8.250 nan 0.000 0.434 610 E N 1.858 122.003 120.200 -0.091 0.000 2.207 610 E HA 0.224 4.535 4.350 -0.065 0.000 0.270 610 E C -0.722 175.802 176.600 -0.127 0.000 0.927 610 E CA -0.762 55.571 56.400 -0.111 0.000 0.799 610 E CB 2.355 31.971 29.700 -0.139 0.000 1.172 610 E HN 0.364 nan 8.360 nan 0.000 0.404 611 R N 1.618 122.038 120.500 -0.134 0.000 2.265 611 R HA 0.376 4.677 4.340 -0.065 0.000 0.314 611 R C -0.941 175.212 176.300 -0.245 0.000 1.053 611 R CA -0.320 55.677 56.100 -0.173 0.000 0.931 611 R CB 0.600 30.835 30.300 -0.108 0.000 1.024 611 R HN 0.218 nan 8.270 nan 0.000 0.457 612 V N 4.770 124.503 119.914 -0.302 0.000 2.555 612 V HA 0.348 4.429 4.120 -0.065 0.000 0.302 612 V C -0.381 175.412 176.094 -0.502 0.000 1.038 612 V CA -0.800 61.310 62.300 -0.317 0.000 0.887 612 V CB 1.832 33.535 31.823 -0.201 0.000 0.991 612 V HN 0.798 nan 8.190 nan 0.000 0.434 613 H N 3.851 122.679 119.070 -0.403 0.000 2.466 613 H HA 0.558 5.074 4.556 -0.066 0.000 0.338 613 H C -1.384 173.646 175.328 -0.495 0.000 1.091 613 H CA -0.236 55.595 56.048 -0.362 0.000 1.207 613 H CB 1.781 31.238 29.762 -0.508 0.000 1.466 613 H HN 0.454 nan 8.280 nan 0.000 0.493 614 F N 1.938 122.073 119.950 0.308 0.000 2.546 614 F HA 0.309 4.793 4.527 -0.071 0.000 0.320 614 F C -0.312 176.057 175.800 0.948 0.000 1.076 614 F CA -0.986 57.363 58.000 0.581 0.000 0.928 614 F CB 1.612 40.882 39.000 0.449 0.000 1.189 614 F HN 0.337 nan 8.300 nan 0.000 0.465 615 F N 1.951 122.367 119.950 0.776 0.000 2.482 615 F HA 0.742 5.229 4.527 -0.067 0.000 0.331 615 F C -0.253 175.562 175.800 0.025 0.000 1.115 615 F CA -1.425 56.711 58.000 0.226 0.000 0.955 615 F CB 1.249 40.147 39.000 -0.169 0.000 1.136 615 F HN 0.572 nan 8.300 nan 0.000 0.452 616 A N 5.535 127.753 122.820 -1.002 0.000 2.489 616 A HA 0.185 4.467 4.320 -0.065 0.000 0.289 616 A C 0.973 177.765 177.584 -1.321 0.000 1.216 616 A CA 0.054 51.252 52.037 -1.397 0.000 0.883 616 A CB -0.483 17.609 19.000 -1.513 0.000 1.110 616 A HN 0.983 nan 8.150 nan 0.000 0.523 617 E N 1.039 120.736 120.200 -0.837 0.000 2.216 617 E HA 0.004 4.315 4.350 -0.065 0.000 0.192 617 E C 0.795 177.054 176.600 -0.569 0.000 0.988 617 E CA 1.152 57.247 56.400 -0.508 0.000 0.834 617 E CB 0.277 29.838 29.700 -0.232 0.000 0.772 617 E HN 0.703 nan 8.360 nan 0.000 0.479 618 T N -1.687 112.329 114.554 -0.898 0.000 2.661 618 T HA 0.598 4.909 4.350 -0.065 0.000 0.305 618 T C -1.506 172.308 174.700 -1.477 0.000 1.441 618 T CA -0.123 61.312 62.100 -1.110 0.000 0.999 618 T CB 1.742 70.298 68.868 -0.520 0.000 1.650 618 T HN 0.214 nan 8.240 nan 0.000 0.489 619 G N 0.553 108.660 108.800 -1.155 0.000 2.340 619 G HA2 0.426 4.348 3.960 -0.065 0.000 0.298 619 G HA3 0.426 4.348 3.960 -0.065 0.000 0.298 619 G C -1.522 173.240 174.900 -0.231 0.000 1.498 619 G CA -0.552 44.112 45.100 -0.728 0.000 0.847 619 G HN 0.844 nan 8.290 nan 0.000 0.594 620 I N 1.636 122.121 120.570 -0.142 0.000 2.382 620 I HA 0.487 4.618 4.170 -0.065 0.000 0.297 620 I C 0.929 177.070 176.117 0.040 0.000 1.172 620 I CA 0.963 62.233 61.300 -0.051 0.000 1.825 620 I CB -0.720 37.217 38.000 -0.106 0.000 1.509 620 I HN 0.553 nan 8.210 nan 0.000 0.842 621 T N 3.118 117.758 114.554 0.142 0.000 3.830 621 T HA 0.087 4.398 4.350 -0.065 0.000 0.283 621 T C 0.173 174.901 174.700 0.047 0.000 0.919 621 T CA -0.292 61.855 62.100 0.079 0.000 0.712 621 T CB -0.442 68.446 68.868 0.033 0.000 1.177 621 T HN 0.073 nan 8.240 nan 0.000 0.879 622 F N 2.942 122.807 119.950 -0.142 0.000 2.348 622 F HA 0.780 5.277 4.527 -0.050 0.000 0.308 622 F C 0.832 176.573 175.800 -0.098 0.000 1.175 622 F CA -0.967 56.951 58.000 -0.136 0.000 1.080 622 F CB 0.524 39.416 39.000 -0.180 0.000 1.341 622 F HN -0.034 nan 8.300 nan 0.000 0.518 623 R N -0.842 119.726 120.500 0.115 0.000 2.629 623 R HA 0.508 4.809 4.340 -0.065 0.000 0.266 623 R C -3.220 173.103 176.300 0.038 0.000 1.051 623 R CA -1.987 54.139 56.100 0.043 0.000 0.895 623 R CB 0.895 31.200 30.300 0.008 0.000 1.246 623 R HN 0.173 nan 8.270 nan 0.000 0.459 624 P HA 0.411 nan 4.420 nan 0.000 0.277 624 P C -1.095 176.210 177.300 0.007 0.000 1.271 624 P CA -0.047 63.055 63.100 0.002 0.000 0.795 624 P CB 0.524 32.217 31.700 -0.012 0.000 1.101 625 D N -1.528 118.868 120.400 -0.008 0.000 2.719 625 D HA -0.058 4.543 4.640 -0.065 0.000 0.220 625 D C -0.858 175.350 176.300 -0.155 0.000 0.947 625 D CA -0.308 53.654 54.000 -0.063 0.000 0.893 625 D CB 0.333 41.104 40.800 -0.048 0.000 3.712 625 D HN 0.273 nan 8.370 nan 0.000 0.469 626 V N 3.528 123.181 119.914 -0.435 0.000 5.830 626 V HA -0.253 3.829 4.120 -0.065 0.000 0.274 626 V C -0.843 175.152 176.094 -0.165 0.000 0.632 626 V CA 1.597 63.467 62.300 -0.716 0.000 0.594 626 V CB -1.508 30.032 31.823 -0.472 0.000 0.249 626 V HN 0.441 nan 8.190 nan 0.000 0.697 642 R N 0.714 121.016 120.500 -0.329 0.000 7.329 642 R HA 0.171 4.472 4.340 -0.065 0.000 0.254 642 R C -1.916 174.140 176.300 -0.406 0.000 0.844 642 R CA 0.376 56.172 56.100 -0.508 0.000 1.839 642 R CB -0.496 29.218 30.300 -0.977 0.000 1.160 642 R HN 0.342 nan 8.270 nan 0.000 0.883 643 T N 3.714 118.160 114.554 -0.180 0.000 2.907 643 T HA 0.411 4.722 4.350 -0.065 0.000 0.284 643 T C -0.199 174.613 174.700 0.186 0.000 1.004 643 T CA -0.756 61.349 62.100 0.008 0.000 1.063 643 T CB 1.122 69.997 68.868 0.012 0.000 0.992 643 T HN 0.412 nan 8.240 nan 0.000 0.483 644 E N 1.159 121.477 120.200 0.198 0.000 2.442 644 E HA 0.278 4.589 4.350 -0.065 0.000 0.262 644 E C -1.070 175.670 176.600 0.234 0.000 1.004 644 E CA 0.420 56.912 56.400 0.154 0.000 0.928 644 E CB 0.368 30.089 29.700 0.035 0.000 0.937 644 E HN 0.405 nan 8.360 nan 0.000 0.446 645 F N 1.577 121.509 119.950 -0.030 0.000 2.651 645 F HA 0.214 4.704 4.527 -0.062 0.000 0.327 645 F C -1.057 174.775 175.800 0.053 0.000 1.133 645 F CA -0.802 57.204 58.000 0.010 0.000 1.076 645 F CB 1.013 40.054 39.000 0.068 0.000 1.315 645 F HN 0.187 nan 8.300 nan 0.000 0.499 646 K N 3.821 123.980 120.400 -0.403 0.000 2.126 646 K HA 0.457 4.738 4.320 -0.065 0.000 0.257 646 K C 0.622 177.045 176.600 -0.296 0.000 1.007 646 K CA -0.731 55.421 56.287 -0.225 0.000 0.928 646 K CB 1.569 33.959 32.500 -0.182 0.000 1.013 646 K HN 0.473 nan 8.250 nan 0.000 0.473 647 V N 1.267 121.145 119.914 -0.060 0.000 2.407 647 V HA -0.264 3.817 4.120 -0.065 0.000 0.248 647 V C 2.173 178.043 176.094 -0.374 0.000 1.055 647 V CA 2.399 64.587 62.300 -0.187 0.000 1.049 647 V CB -0.617 31.268 31.823 0.104 0.000 0.662 647 V HN 0.942 nan 8.190 nan 0.000 0.455 648 S N -0.266 115.182 115.700 -0.420 0.000 2.402 648 S HA -0.257 4.174 4.470 -0.065 0.000 0.229 648 S C 1.820 176.210 174.600 -0.351 0.000 1.021 648 S CA 1.305 59.228 58.200 -0.460 0.000 0.974 648 S CB -0.379 62.544 63.200 -0.462 0.000 0.800 648 S HN 0.721 nan 8.310 nan 0.000 0.484 649 Q N 0.483 120.004 119.800 -0.465 0.000 2.096 649 Q HA 0.110 4.412 4.340 -0.065 0.000 0.197 649 Q C 2.292 178.114 176.000 -0.296 0.000 0.964 649 Q CA 1.163 56.669 55.803 -0.494 0.000 0.838 649 Q CB -0.311 27.772 28.738 -1.091 0.000 0.906 649 Q HN 0.611 nan 8.270 nan 0.000 0.444 650 M N 0.742 120.056 119.600 -0.476 0.000 2.117 650 M HA -0.176 4.265 4.480 -0.065 0.000 0.262 650 M C 1.805 178.032 176.300 -0.121 0.000 1.065 650 M CA 1.529 56.627 55.300 -0.338 0.000 1.114 650 M CB 0.043 32.019 32.600 -1.040 0.000 1.361 650 M HN 0.225 nan 8.290 nan 0.000 0.408 651 L N -0.226 120.854 121.223 -0.239 0.000 2.156 651 L HA -0.180 4.122 4.340 -0.065 0.000 0.208 651 L C 2.084 178.859 176.870 -0.158 0.000 1.095 651 L CA 1.014 55.742 54.840 -0.188 0.000 0.770 651 L CB -0.812 41.129 42.059 -0.196 0.000 0.914 651 L HN 0.328 nan 8.230 nan 0.000 0.439 652 D N -0.426 119.900 120.400 -0.124 0.000 2.144 652 D HA -0.253 4.348 4.640 -0.065 0.000 0.199 652 D C 1.922 178.205 176.300 -0.028 0.000 0.984 652 D CA 0.988 54.924 54.000 -0.107 0.000 0.834 652 D CB -0.066 40.688 40.800 -0.077 0.000 0.955 652 D HN 0.344 nan 8.370 nan 0.000 0.465 653 W N 0.434 121.708 121.300 -0.044 0.000 2.358 653 W HA -0.151 4.470 4.660 -0.065 0.000 0.303 653 W C 1.942 178.431 176.519 -0.050 0.000 1.208 653 W CA 1.033 58.399 57.345 0.034 0.000 1.274 653 W CB -0.531 29.070 29.460 0.236 0.000 1.138 653 W HN 0.082 nan 8.180 nan 0.000 0.515 654 L N 0.585 121.810 121.223 0.004 0.000 2.027 654 L HA -0.049 4.252 4.340 -0.065 0.000 0.206 654 L C 1.950 178.442 176.870 -0.631 0.000 1.074 654 L CA 2.059 56.712 54.840 -0.312 0.000 0.745 654 L CB -0.686 41.304 42.059 -0.113 0.000 0.898 654 L HN 0.127 nan 8.230 nan 0.000 0.433 655 L N -1.472 119.363 121.223 -0.648 0.000 2.766 655 L HA 0.207 4.508 4.340 -0.065 0.000 0.242 655 L C 0.292 176.748 176.870 -0.690 0.000 1.136 655 L CA -0.130 54.086 54.840 -1.039 0.000 0.933 655 L CB -0.017 41.552 42.059 -0.817 0.000 1.241 655 L HN 0.237 nan 8.230 nan 0.000 0.522 656 Q N 0.840 120.406 119.800 -0.391 0.000 2.447 656 Q HA -0.217 4.084 4.340 -0.065 0.000 0.348 656 Q C 1.087 176.963 176.000 -0.206 0.000 1.421 656 Q CA 0.089 55.768 55.803 -0.207 0.000 0.978 656 Q CB -1.440 27.248 28.738 -0.082 0.000 1.191 656 Q HN 0.551 nan 8.270 nan 0.000 0.371 657 L N -0.204 120.849 121.223 -0.284 0.000 2.127 657 L HA -0.222 4.080 4.340 -0.065 0.000 0.211 657 L C 1.839 178.515 176.870 -0.324 0.000 1.089 657 L CA 1.336 55.933 54.840 -0.405 0.000 0.757 657 L CB -0.270 41.483 42.059 -0.510 0.000 0.899 657 L HN 0.370 nan 8.230 nan 0.000 0.434 658 D N 0.382 120.680 120.400 -0.170 0.000 2.182 658 D HA -0.177 4.424 4.640 -0.065 0.000 0.201 658 D C 1.391 177.682 176.300 -0.014 0.000 0.986 658 D CA 1.317 55.273 54.000 -0.074 0.000 0.847 658 D CB -0.280 40.507 40.800 -0.022 0.000 0.942 658 D HN 0.472 nan 8.370 nan 0.000 0.467 659 N N -0.158 118.548 118.700 0.009 0.000 2.268 659 N HA 0.096 4.797 4.740 -0.065 0.000 0.204 659 N C 0.196 175.874 175.510 0.280 0.000 1.124 659 N CA -0.055 53.078 53.050 0.139 0.000 0.838 659 N CB 0.514 39.081 38.487 0.134 0.000 0.994 659 N HN -0.001 nan 8.380 nan 0.000 0.489 660 N N -0.476 118.234 118.700 0.015 0.000 2.307 660 N HA 0.005 4.706 4.740 -0.065 0.000 0.248 660 N C 0.729 175.911 175.510 -0.548 0.000 1.322 660 N CA 0.264 53.121 53.050 -0.322 0.000 0.861 660 N CB 0.798 39.086 38.487 -0.331 0.000 1.303 660 N HN 0.224 nan 8.380 nan 0.000 0.498 661 T N -2.117 112.309 114.554 -0.214 0.000 3.035 661 T HA -0.046 4.265 4.350 -0.065 0.000 0.268 661 T C 1.719 176.447 174.700 0.046 0.000 1.109 661 T CA 0.177 62.237 62.100 -0.065 0.000 1.119 661 T CB -0.413 68.532 68.868 0.128 0.000 0.900 661 T HN 0.419 nan 8.240 nan 0.000 0.503 662 W N 1.263 122.607 121.300 0.072 0.000 2.595 662 W HA 0.230 4.852 4.660 -0.063 0.000 0.257 662 W C 0.285 176.857 176.519 0.089 0.000 1.267 662 W CA -0.601 56.791 57.345 0.079 0.000 1.300 662 W CB -0.758 28.737 29.460 0.059 0.000 1.120 662 W HN 0.274 nan 8.180 nan 0.000 0.618 663 Q N 1.825 121.259 119.800 -0.611 0.000 2.327 663 Q HA 0.189 4.490 4.340 -0.065 0.000 0.254 663 Q C -2.137 173.779 176.000 -0.140 0.000 0.952 663 Q CA -2.000 53.474 55.803 -0.547 0.000 0.884 663 Q CB 0.512 28.761 28.738 -0.816 0.000 1.224 663 Q HN -0.258 nan 8.270 nan 0.000 0.422 664 P HA -0.102 nan 4.420 nan 0.000 0.263 664 P C 0.220 177.479 177.300 -0.067 0.000 1.195 664 P CA 0.411 63.478 63.100 -0.055 0.000 0.762 664 P CB 0.268 31.924 31.700 -0.074 0.000 0.799 665 H N 4.260 123.330 119.070 0.001 0.000 2.423 665 H HA -0.032 4.486 4.556 -0.063 0.000 0.297 665 H C 1.163 176.521 175.328 0.051 0.000 1.075 665 H CA 1.018 57.099 56.048 0.055 0.000 1.342 665 H CB -0.432 29.374 29.762 0.073 0.000 1.395 665 H HN 0.312 nan 8.280 nan 0.000 0.530 666 L N 0.787 121.714 121.223 -0.493 0.000 2.046 666 L HA -0.147 4.154 4.340 -0.065 0.000 0.208 666 L C 2.990 179.845 176.870 -0.025 0.000 1.077 666 L CA 1.701 56.361 54.840 -0.300 0.000 0.747 666 L CB -0.419 41.228 42.059 -0.686 0.000 0.896 666 L HN 0.248 nan 8.230 nan 0.000 0.432 667 K N 0.382 120.743 120.400 -0.066 0.000 2.057 667 K HA -0.224 4.057 4.320 -0.065 0.000 0.207 667 K C 2.186 178.821 176.600 0.058 0.000 1.049 667 K CA 1.199 57.496 56.287 0.017 0.000 0.931 667 K CB -0.078 32.414 32.500 -0.012 0.000 0.714 667 K HN 0.035 nan 8.250 nan 0.000 0.440 668 L N 0.894 122.136 121.223 0.031 0.000 2.017 668 L HA -0.117 4.184 4.340 -0.065 0.000 0.208 668 L C 2.065 178.987 176.870 0.087 0.000 1.073 668 L CA 1.638 56.480 54.840 0.004 0.000 0.745 668 L CB -0.823 41.217 42.059 -0.031 0.000 0.894 668 L HN 0.271 nan 8.230 nan 0.000 0.432 669 F N 0.090 120.083 119.950 0.072 0.000 2.120 669 F HA -0.334 4.152 4.527 -0.068 0.000 0.300 669 F C 2.814 178.750 175.800 0.228 0.000 1.095 669 F CA 2.000 60.103 58.000 0.171 0.000 1.249 669 F CB -0.552 38.593 39.000 0.242 0.000 0.995 669 F HN 0.337 nan 8.300 nan 0.000 0.480 670 S N 0.381 116.289 115.700 0.348 0.000 2.419 670 S HA -0.202 4.229 4.470 -0.065 0.000 0.235 670 S C 1.994 176.631 174.600 0.060 0.000 1.019 670 S CA 0.811 59.173 58.200 0.271 0.000 0.982 670 S CB -0.557 62.798 63.200 0.258 0.000 0.789 670 S HN 0.367 nan 8.310 nan 0.000 0.490 671 R N 1.149 121.646 120.500 -0.004 0.000 2.237 671 R HA 0.233 4.534 4.340 -0.065 0.000 0.219 671 R C 1.994 178.147 176.300 -0.245 0.000 1.080 671 R CA 0.627 56.694 56.100 -0.055 0.000 0.995 671 R CB -1.276 29.010 30.300 -0.023 0.000 0.875 671 R HN 0.552 nan 8.270 nan 0.000 0.462 672 I N 1.057 121.370 120.570 -0.428 0.000 2.335 672 I HA -0.308 3.823 4.170 -0.065 0.000 0.251 672 I C 2.483 178.163 176.117 -0.729 0.000 1.129 672 I CA 1.199 62.129 61.300 -0.616 0.000 1.402 672 I CB -0.220 37.291 38.000 -0.815 0.000 1.069 672 I HN 0.090 nan 8.210 nan 0.000 0.424 673 Q N 1.180 120.489 119.800 -0.818 0.000 2.234 673 Q HA -0.205 4.096 4.340 -0.065 0.000 0.206 673 Q C 1.858 177.721 176.000 -0.229 0.000 0.980 673 Q CA 1.777 57.250 55.803 -0.550 0.000 0.869 673 Q CB -0.300 28.311 28.738 -0.210 0.000 0.912 673 Q HN 0.378 nan 8.270 nan 0.000 0.436 674 L N -0.688 120.463 121.223 -0.119 0.000 2.265 674 L HA 0.013 4.314 4.340 -0.065 0.000 0.215 674 L C 2.090 178.965 176.870 0.008 0.000 1.117 674 L CA 1.758 56.609 54.840 0.019 0.000 0.782 674 L CB -0.914 41.249 42.059 0.174 0.000 0.914 674 L HN 0.358 nan 8.230 nan 0.000 0.441 675 G N -1.841 106.914 108.800 -0.075 0.000 2.777 675 G HA2 0.025 3.946 3.960 -0.065 0.000 0.211 675 G HA3 0.025 3.946 3.960 -0.065 0.000 0.211 675 G C 1.455 176.300 174.900 -0.091 0.000 1.149 675 G CA -0.030 45.048 45.100 -0.037 0.000 0.785 675 G HN 0.334 nan 8.290 nan 0.000 0.536 676 L N 0.418 121.549 121.223 -0.154 0.000 2.590 676 L HA 0.252 4.553 4.340 -0.065 0.000 0.227 676 L C 1.418 178.233 176.870 -0.092 0.000 1.099 676 L CA -0.197 54.543 54.840 -0.165 0.000 0.872 676 L CB 0.409 42.299 42.059 -0.282 0.000 1.088 676 L HN 0.109 nan 8.230 nan 0.000 0.479 677 S N 1.290 116.955 115.700 -0.058 0.000 2.544 677 S HA 0.024 4.455 4.470 -0.065 0.000 0.290 677 S C 0.308 174.894 174.600 -0.023 0.000 1.276 677 S CA -0.172 58.020 58.200 -0.014 0.000 1.075 677 S CB 0.145 63.359 63.200 0.022 0.000 0.849 677 S HN 0.115 nan 8.310 nan 0.000 0.494 678 K N 3.913 124.298 120.400 -0.025 0.000 2.378 678 K HA 0.234 4.515 4.320 -0.065 0.000 0.288 678 K C 0.246 176.766 176.600 -0.134 0.000 1.057 678 K CA -0.055 56.187 56.287 -0.075 0.000 0.971 678 K CB 0.420 32.885 32.500 -0.059 0.000 0.975 678 K HN 0.757 nan 8.250 nan 0.000 0.475 679 T N -0.649 113.785 114.554 -0.200 0.000 2.843 679 T HA 0.358 4.669 4.350 -0.065 0.000 0.302 679 T C -1.071 173.427 174.700 -0.336 0.000 1.232 679 T CA -0.911 61.066 62.100 -0.205 0.000 1.009 679 T CB 0.509 69.367 68.868 -0.017 0.000 1.254 679 T HN 0.286 nan 8.240 nan 0.000 0.504 680 Y N 0.940 121.261 120.300 0.035 0.000 2.353 680 Y HA 0.610 5.122 4.550 -0.064 0.000 0.340 680 Y C 0.881 176.791 175.900 0.017 0.000 0.972 680 Y CA -0.872 57.240 58.100 0.020 0.000 1.157 680 Y CB 1.052 39.520 38.460 0.013 0.000 1.157 680 Y HN 1.031 nan 8.280 nan 0.000 0.495 681 A N 4.433 127.318 122.820 0.108 0.000 2.492 681 A HA 0.245 4.526 4.320 -0.065 0.000 0.254 681 A C 0.680 178.305 177.584 0.069 0.000 1.091 681 A CA -0.041 52.039 52.037 0.072 0.000 0.768 681 A CB 0.037 19.060 19.000 0.037 0.000 1.028 681 A HN 0.811 nan 8.150 nan 0.000 0.498 682 I N 1.719 122.315 120.570 0.044 0.000 2.899 682 I HA 0.189 4.321 4.170 -0.065 0.000 0.257 682 I C 0.927 177.038 176.117 -0.010 0.000 1.115 682 I CA 1.431 62.738 61.300 0.013 0.000 1.451 682 I CB -0.782 37.210 38.000 -0.013 0.000 1.251 682 I HN 0.863 nan 8.210 nan 0.000 0.456 683 M N -0.955 118.639 119.600 -0.012 0.000 2.755 683 M HA 0.354 4.795 4.480 -0.065 0.000 0.276 683 M C -1.626 174.674 176.300 0.001 0.000 1.129 683 M CA -0.497 54.789 55.300 -0.022 0.000 0.832 683 M CB 2.082 34.653 32.600 -0.047 0.000 1.700 683 M HN -0.257 nan 8.290 nan 0.000 0.518 684 T N 3.314 117.863 114.554 -0.009 0.000 2.758 684 T HA 0.603 4.914 4.350 -0.065 0.000 0.285 684 T C -0.244 174.466 174.700 0.016 0.000 0.981 684 T CA -0.600 61.506 62.100 0.010 0.000 0.965 684 T CB 0.858 69.702 68.868 -0.039 0.000 0.927 684 T HN 0.476 nan 8.240 nan 0.000 0.448 685 L N 3.138 124.409 121.223 0.081 0.000 2.326 685 L HA 0.368 4.669 4.340 -0.065 0.000 0.278 685 L C 0.819 177.681 176.870 -0.013 0.000 1.092 685 L CA -0.988 53.864 54.840 0.020 0.000 0.810 685 L CB 0.737 42.817 42.059 0.035 0.000 1.153 685 L HN 0.480 nan 8.230 nan 0.000 0.439 686 E N 3.344 123.470 120.200 -0.124 0.000 2.404 686 E HA 0.045 4.356 4.350 -0.065 0.000 0.261 686 E C -1.583 174.898 176.600 -0.199 0.000 1.074 686 E CA -1.844 54.450 56.400 -0.177 0.000 0.917 686 E CB 0.479 29.978 29.700 -0.336 0.000 0.965 686 E HN 0.338 nan 8.360 nan 0.000 0.433 687 P HA -0.189 nan 4.420 nan 0.000 0.216 687 P C 0.895 178.148 177.300 -0.079 0.000 1.153 687 P CA 1.834 64.914 63.100 -0.033 0.000 0.858 687 P CB -0.061 31.666 31.700 0.044 0.000 0.789 688 H N -1.486 117.572 119.070 -0.021 0.000 2.545 688 H HA 0.026 4.543 4.556 -0.065 0.000 0.282 688 H C 1.344 176.641 175.328 -0.052 0.000 1.020 688 H CA 0.751 56.774 56.048 -0.042 0.000 1.243 688 H CB -1.214 28.530 29.762 -0.031 0.000 1.377 688 H HN 0.227 nan 8.280 nan 0.000 0.581 689 Q N 0.497 120.056 119.800 -0.402 0.000 2.320 689 Q HA 0.283 4.584 4.340 -0.065 0.000 0.201 689 Q C -0.370 175.544 176.000 -0.142 0.000 0.910 689 Q CA -0.046 55.627 55.803 -0.215 0.000 0.946 689 Q CB 0.670 29.253 28.738 -0.258 0.000 1.062 689 Q HN 0.534 nan 8.270 nan 0.000 0.503 690 I N 1.044 121.489 120.570 -0.208 0.000 2.433 690 I HA 0.324 4.455 4.170 -0.065 0.000 0.292 690 I C -0.386 175.448 176.117 -0.471 0.000 1.001 690 I CA -0.757 60.346 61.300 -0.330 0.000 1.119 690 I CB 1.666 39.455 38.000 -0.352 0.000 1.289 690 I HN -0.110 nan 8.210 nan 0.000 0.438 691 R N 5.216 125.404 120.500 -0.522 0.000 2.272 691 R HA 0.407 4.708 4.340 -0.065 0.000 0.323 691 R C -1.009 174.845 176.300 -0.745 0.000 1.002 691 R CA -0.775 54.968 56.100 -0.595 0.000 0.900 691 R CB 0.699 30.663 30.300 -0.561 0.000 1.151 691 R HN 0.502 nan 8.270 nan 0.000 0.507 692 H N 3.446 122.247 119.070 -0.448 0.000 2.652 692 H HA 0.153 4.670 4.556 -0.065 0.000 0.298 692 H C 0.176 175.234 175.328 -0.450 0.000 1.076 692 H CA -0.187 55.618 56.048 -0.404 0.000 1.360 692 H CB 0.699 30.290 29.762 -0.285 0.000 1.421 692 H HN 0.382 nan 8.280 nan 0.000 0.464 693 H N 2.624 121.566 119.070 -0.213 0.000 2.582 693 H HA 0.079 4.596 4.556 -0.065 0.000 0.345 693 H C 1.047 176.326 175.328 -0.081 0.000 1.104 693 H CA -0.138 55.774 56.048 -0.227 0.000 1.390 693 H CB 1.738 31.197 29.762 -0.504 0.000 1.461 693 H HN 0.600 nan 8.280 nan 0.000 0.551 694 K N 1.137 121.587 120.400 0.082 0.000 2.365 694 K HA 0.069 4.350 4.320 -0.065 0.000 0.197 694 K C 0.039 176.687 176.600 0.080 0.000 1.042 694 K CA 0.690 57.011 56.287 0.057 0.000 0.987 694 K CB 0.461 32.978 32.500 0.029 0.000 0.779 694 K HN 0.415 nan 8.250 nan 0.000 0.484 695 T N 0.645 115.271 114.554 0.121 0.000 2.909 695 T HA 0.208 4.519 4.350 -0.065 0.000 0.299 695 T C -0.800 174.028 174.700 0.214 0.000 1.073 695 T CA -0.942 61.231 62.100 0.121 0.000 0.999 695 T CB 2.434 71.344 68.868 0.071 0.000 1.098 695 T HN -0.071 nan 8.240 nan 0.000 0.477 696 D N 0.911 121.416 120.400 0.173 0.000 2.377 696 D HA 0.280 4.881 4.640 -0.065 0.000 0.245 696 D C -0.160 176.156 176.300 0.026 0.000 1.196 696 D CA -0.452 53.636 54.000 0.146 0.000 0.962 696 D CB 0.903 41.729 40.800 0.043 0.000 1.127 696 D HN 0.162 nan 8.370 nan 0.000 0.471 697 L N 1.266 122.418 121.223 -0.119 0.000 2.418 697 L HA 0.148 4.449 4.340 -0.065 0.000 0.274 697 L C 0.180 176.983 176.870 -0.112 0.000 1.135 697 L CA 0.487 55.240 54.840 -0.145 0.000 0.870 697 L CB -0.012 41.879 42.059 -0.280 0.000 1.154 697 L HN 0.090 nan 8.230 nan 0.000 0.462 698 L N 1.297 122.477 121.223 -0.072 0.000 2.332 698 L HA 0.490 4.791 4.340 -0.065 0.000 0.269 698 L C 0.692 177.530 176.870 -0.053 0.000 1.016 698 L CA -0.860 53.950 54.840 -0.050 0.000 0.809 698 L CB 1.672 43.716 42.059 -0.026 0.000 1.280 698 L HN 0.539 nan 8.230 nan 0.000 0.447 699 S N 0.869 116.546 115.700 -0.039 0.000 2.546 699 S HA 0.080 4.511 4.470 -0.065 0.000 0.290 699 S C -1.580 173.001 174.600 -0.032 0.000 1.290 699 S CA -0.871 57.308 58.200 -0.035 0.000 1.069 699 S CB 0.640 63.826 63.200 -0.023 0.000 0.846 699 S HN 0.384 nan 8.310 nan 0.000 0.495 700 P HA -0.030 nan 4.420 nan 0.000 0.222 700 P C 0.979 178.266 177.300 -0.021 0.000 1.147 700 P CA 0.795 63.877 63.100 -0.029 0.000 0.790 700 P CB -0.033 31.649 31.700 -0.030 0.000 0.780 701 S N -2.346 113.342 115.700 -0.019 0.000 2.558 701 S HA 0.339 4.770 4.470 -0.065 0.000 0.217 701 S C 1.662 176.255 174.600 -0.012 0.000 0.975 701 S CA 0.388 58.579 58.200 -0.015 0.000 0.912 701 S CB -0.679 62.513 63.200 -0.014 0.000 0.776 701 S HN 0.282 nan 8.310 nan 0.000 0.526 702 G N 1.684 110.476 108.800 -0.013 0.000 2.159 702 G HA2 -0.320 3.601 3.960 -0.065 0.000 0.227 702 G HA3 -0.320 3.601 3.960 -0.065 0.000 0.227 702 G C 0.864 175.759 174.900 -0.008 0.000 0.986 702 G CA 0.590 45.684 45.100 -0.010 0.000 0.651 702 G HN 0.825 nan 8.290 nan 0.000 0.523 703 T N -1.482 113.066 114.554 -0.009 0.000 3.025 703 T HA 0.292 4.603 4.350 -0.065 0.000 0.270 703 T C 2.726 177.423 174.700 -0.005 0.000 1.126 703 T CA 1.828 63.924 62.100 -0.007 0.000 1.105 703 T CB -0.348 68.515 68.868 -0.008 0.000 0.884 703 T HN 2.282 nan 8.240 nan 0.000 0.522 704 G N 0.791 109.587 108.800 -0.007 0.000 2.189 704 G HA2 -0.310 3.612 3.960 -0.065 0.000 0.267 704 G HA3 -0.310 3.612 3.960 -0.065 0.000 0.267 704 G C -0.097 174.801 174.900 -0.003 0.000 0.975 704 G CA 0.347 45.444 45.100 -0.004 0.000 0.644 704 G HN 0.822 nan 8.290 nan 0.000 0.537 705 E N 0.280 120.477 120.200 -0.006 0.000 2.376 705 E HA 0.431 4.743 4.350 -0.065 0.000 0.266 705 E C 0.762 177.356 176.600 -0.010 0.000 1.009 705 E CA -0.270 56.128 56.400 -0.003 0.000 0.902 705 E CB 0.830 30.528 29.700 -0.003 0.000 0.972 705 E HN 0.259 nan 8.360 nan 0.000 0.439 706 V N 6.553 126.464 119.914 -0.004 0.000 2.508 706 V HA -0.009 4.073 4.120 -0.065 0.000 0.281 706 V C 0.907 176.991 176.094 -0.017 0.000 1.041 706 V CA 0.010 62.301 62.300 -0.016 0.000 1.016 706 V CB 1.102 32.925 31.823 -0.000 0.000 0.984 706 V HN 0.839 nan 8.190 nan 0.000 0.478 707 M N 3.650 123.209 119.600 -0.068 0.000 2.382 707 M HA 0.170 4.611 4.480 -0.065 0.000 0.247 707 M C 0.880 177.085 176.300 -0.159 0.000 1.104 707 M CA 0.478 55.730 55.300 -0.080 0.000 1.030 707 M CB -0.407 32.111 32.600 -0.137 0.000 1.424 707 M HN 0.881 nan 8.290 nan 0.000 0.486 708 N N -0.229 118.337 118.700 -0.225 0.000 2.517 708 N HA 0.009 4.710 4.740 -0.065 0.000 0.285 708 N C -0.738 174.692 175.510 -0.133 0.000 1.528 708 N CA -0.179 52.643 53.050 -0.380 0.000 0.892 708 N CB 0.137 38.179 38.487 -0.741 0.000 1.356 708 N HN -0.085 nan 8.380 nan 0.000 0.495 709 D N 1.315 121.758 120.400 0.071 0.000 2.383 709 D HA 0.192 4.793 4.640 -0.065 0.000 0.275 709 D C 1.287 177.622 176.300 0.060 0.000 1.344 709 D CA 1.991 56.022 54.000 0.052 0.000 0.984 709 D CB -0.289 40.540 40.800 0.047 0.000 1.104 709 D HN 0.653 nan 8.370 nan 0.000 0.524 710 G N 2.112 110.911 108.800 -0.002 0.000 2.176 710 G HA2 -0.189 3.732 3.960 -0.065 0.000 0.232 710 G HA3 -0.189 3.732 3.960 -0.065 0.000 0.232 710 G C 0.087 174.897 174.900 -0.150 0.000 0.986 710 G CA 0.148 45.222 45.100 -0.044 0.000 0.643 710 G HN 0.690 nan 8.290 nan 0.000 0.522 711 V N 0.203 120.036 119.914 -0.136 0.000 2.735 711 V HA 0.956 5.037 4.120 -0.065 0.000 0.310 711 V C 0.404 176.471 176.094 -0.045 0.000 1.061 711 V CA 0.604 62.801 62.300 -0.173 0.000 0.913 711 V CB 1.900 33.672 31.823 -0.086 0.000 1.005 711 V HN 1.303 nan 8.190 nan 0.000 0.428 712 G N 4.830 113.541 108.800 -0.149 0.000 2.725 712 G HA2 0.647 4.568 3.960 -0.065 0.000 0.288 712 G HA3 0.647 4.568 3.960 -0.065 0.000 0.288 712 G C -1.372 173.500 174.900 -0.046 0.000 1.399 712 G CA -1.067 44.079 45.100 0.077 0.000 0.859 712 G HN 0.757 nan 8.290 nan 0.000 0.479 713 R N -0.582 119.875 120.500 -0.072 0.000 2.500 713 R HA 0.654 4.955 4.340 -0.065 0.000 0.277 713 R C 0.309 176.683 176.300 0.123 0.000 1.026 713 R CA -0.368 55.717 56.100 -0.026 0.000 1.058 713 R CB 1.492 31.748 30.300 -0.073 0.000 1.078 713 R HN 0.679 nan 8.270 nan 0.000 0.509 714 M N -1.167 118.331 119.600 -0.170 0.000 2.619 714 M HA 0.469 4.910 4.480 -0.065 0.000 0.297 714 M C -0.235 175.466 176.300 -0.997 0.000 1.229 714 M CA -1.024 53.938 55.300 -0.563 0.000 0.860 714 M CB 2.110 34.482 32.600 -0.380 0.000 1.741 714 M HN 0.576 nan 8.290 nan 0.000 0.462 715 S N 0.634 115.433 115.700 -1.503 0.000 2.596 715 S HA 0.265 4.696 4.470 -0.065 0.000 0.260 715 S C 0.767 175.029 174.600 -0.564 0.000 1.336 715 S CA -0.356 57.102 58.200 -1.237 0.000 0.993 715 S CB 1.122 63.536 63.200 -1.309 0.000 0.923 715 S HN 0.948 nan 8.310 nan 0.000 0.567 716 R N 0.414 120.700 120.500 -0.357 0.000 2.092 716 R HA -0.081 4.220 4.340 -0.065 0.000 0.231 716 R C 2.609 178.793 176.300 -0.193 0.000 1.119 716 R CA 1.546 57.516 56.100 -0.216 0.000 0.970 716 R CB -0.641 29.576 30.300 -0.137 0.000 0.864 716 R HN 0.928 nan 8.270 nan 0.000 0.440 717 S N -0.459 115.120 115.700 -0.203 0.000 2.402 717 S HA -0.076 4.355 4.470 -0.065 0.000 0.229 717 S C 2.009 176.504 174.600 -0.176 0.000 1.021 717 S CA 1.106 59.212 58.200 -0.156 0.000 0.974 717 S CB -0.351 62.773 63.200 -0.127 0.000 0.800 717 S HN 0.077 nan 8.310 nan 0.000 0.484 718 V N 2.375 122.139 119.914 -0.251 0.000 2.358 718 V HA -0.084 3.997 4.120 -0.065 0.000 0.246 718 V C 3.118 179.095 176.094 -0.196 0.000 1.047 718 V CA 1.667 63.817 62.300 -0.250 0.000 1.035 718 V CB -1.390 30.216 31.823 -0.360 0.000 0.658 718 V HN 0.672 nan 8.190 nan 0.000 0.452 719 A N -0.593 122.112 122.820 -0.191 0.000 1.969 719 A HA -0.180 4.101 4.320 -0.065 0.000 0.218 719 A C 2.286 179.808 177.584 -0.103 0.000 1.169 719 A CA 1.569 53.525 52.037 -0.135 0.000 0.635 719 A CB -0.355 18.570 19.000 -0.124 0.000 0.810 719 A HN 0.518 nan 8.150 nan 0.000 0.445 720 K N -0.856 119.482 120.400 -0.103 0.000 2.097 720 K HA -0.134 4.147 4.320 -0.065 0.000 0.205 720 K C 2.280 178.837 176.600 -0.072 0.000 1.050 720 K CA 1.385 57.626 56.287 -0.077 0.000 0.938 720 K CB -0.113 32.345 32.500 -0.071 0.000 0.718 720 K HN 0.317 nan 8.250 nan 0.000 0.442 721 R N 1.637 122.085 120.500 -0.086 0.000 2.096 721 R HA -0.053 4.248 4.340 -0.065 0.000 0.235 721 R C 1.882 178.141 176.300 -0.068 0.000 1.127 721 R CA 1.172 57.227 56.100 -0.074 0.000 0.968 721 R CB -0.352 29.898 30.300 -0.083 0.000 0.861 721 R HN 0.160 nan 8.270 nan 0.000 0.440 722 I N -0.002 120.521 120.570 -0.078 0.000 2.179 722 I HA -0.274 3.857 4.170 -0.065 0.000 0.242 722 I C 2.588 178.668 176.117 -0.063 0.000 1.088 722 I CA 1.605 62.865 61.300 -0.067 0.000 1.357 722 I CB -0.448 37.511 38.000 -0.069 0.000 1.051 722 I HN 0.231 nan 8.210 nan 0.000 0.409 723 R N 1.308 121.773 120.500 -0.059 0.000 2.096 723 R HA -0.238 4.063 4.340 -0.065 0.000 0.240 723 R C 1.847 178.117 176.300 -0.049 0.000 1.139 723 R CA 2.379 58.449 56.100 -0.050 0.000 0.952 723 R CB -0.325 29.950 30.300 -0.041 0.000 0.854 723 R HN 0.271 nan 8.270 nan 0.000 0.436 724 D N 0.112 120.484 120.400 -0.047 0.000 2.088 724 D HA -0.180 4.421 4.640 -0.065 0.000 0.191 724 D C 1.952 178.228 176.300 -0.041 0.000 0.992 724 D CA 2.012 55.988 54.000 -0.040 0.000 0.831 724 D CB -0.559 40.217 40.800 -0.039 0.000 0.973 724 D HN 0.294 nan 8.370 nan 0.000 0.447 725 V N -0.577 119.312 119.914 -0.042 0.000 2.515 725 V HA -0.122 3.959 4.120 -0.065 0.000 0.250 725 V C 1.899 177.962 176.094 -0.052 0.000 1.058 725 V CA 1.252 63.531 62.300 -0.035 0.000 1.064 725 V CB -0.382 31.429 31.823 -0.019 0.000 0.675 725 V HN 0.036 nan 8.190 nan 0.000 0.461 726 L N 1.591 122.764 121.223 -0.083 0.000 2.446 726 L HA 0.493 4.794 4.340 -0.065 0.000 0.219 726 L C 1.891 178.697 176.870 -0.108 0.000 1.116 726 L CA 1.149 55.903 54.840 -0.143 0.000 0.844 726 L CB -1.103 40.842 42.059 -0.191 0.000 0.970 726 L HN 0.722 nan 8.230 nan 0.000 0.457 727 G N 0.171 108.930 108.800 -0.069 0.000 2.256 727 G HA2 -0.256 3.665 3.960 -0.065 0.000 0.272 727 G HA3 -0.256 3.665 3.960 -0.065 0.000 0.272 727 G C 0.256 175.128 174.900 -0.046 0.000 1.076 727 G CA 0.133 45.203 45.100 -0.049 0.000 0.882 727 G HN 0.257 nan 8.290 nan 0.000 0.497 728 L N -0.587 120.608 121.223 -0.047 0.000 2.436 728 L HA 0.497 4.798 4.340 -0.065 0.000 0.265 728 L C 1.935 178.793 176.870 -0.020 0.000 1.168 728 L CA 0.123 54.943 54.840 -0.034 0.000 0.815 728 L CB 0.770 42.808 42.059 -0.035 0.000 1.109 728 L HN 0.205 nan 8.230 nan 0.000 0.462 729 G N -0.049 108.745 108.800 -0.009 0.000 2.744 729 G HA2 -0.055 3.866 3.960 -0.065 0.000 0.211 729 G HA3 -0.055 3.866 3.960 -0.065 0.000 0.211 729 G C 0.042 174.943 174.900 0.001 0.000 1.143 729 G CA 0.362 45.461 45.100 -0.002 0.000 0.788 729 G HN 0.627 nan 8.290 nan 0.000 0.534 730 D N -1.411 118.989 120.400 -0.001 0.000 2.717 730 D HA 0.246 4.847 4.640 -0.065 0.000 0.223 730 D C -0.570 175.727 176.300 -0.005 0.000 1.240 730 D CA -0.521 53.481 54.000 0.003 0.000 0.801 730 D CB 2.150 42.961 40.800 0.019 0.000 1.556 730 D HN -0.160 nan 8.370 nan 0.000 0.462 731 V N 3.785 123.693 119.914 -0.011 0.000 2.485 731 V HA 0.227 4.308 4.120 -0.065 0.000 0.287 731 V C -1.649 174.437 176.094 -0.013 0.000 1.022 731 V CA -0.597 61.690 62.300 -0.023 0.000 1.067 731 V CB 0.387 32.189 31.823 -0.034 0.000 0.967 731 V HN 0.386 nan 8.190 nan 0.000 0.479 732 P HA 0.270 nan 4.420 nan 0.000 0.285 732 P C 0.410 177.704 177.300 -0.011 0.000 1.259 732 P CA -0.346 62.754 63.100 -0.001 0.000 0.794 732 P CB 1.592 33.288 31.700 -0.006 0.000 0.940 733 S N 1.282 116.985 115.700 0.005 0.000 2.406 733 S HA 0.172 4.603 4.470 -0.065 0.000 0.228 733 S C 1.001 175.605 174.600 0.007 0.000 1.020 733 S CA 0.890 59.087 58.200 -0.005 0.000 0.965 733 S CB -0.098 63.105 63.200 0.006 0.000 0.798 733 S HN 0.815 nan 8.310 nan 0.000 0.488 734 A N 0.725 123.550 122.820 0.008 0.000 2.587 734 A HA 0.729 5.010 4.320 -0.065 0.000 0.293 734 A C -0.933 176.623 177.584 -0.046 0.000 1.087 734 A CA -0.759 51.276 52.037 -0.003 0.000 0.692 734 A CB 1.443 20.439 19.000 -0.007 0.000 1.291 734 A HN 0.511 nan 8.150 nan 0.000 0.407 735 V N -1.192 118.713 119.914 -0.016 0.000 2.925 735 V HA 0.728 4.809 4.120 -0.065 0.000 0.311 735 V C -0.578 175.524 176.094 0.013 0.000 1.104 735 V CA -0.691 61.597 62.300 -0.019 0.000 0.954 735 V CB 1.574 33.424 31.823 0.046 0.000 1.022 735 V HN 1.035 nan 8.190 nan 0.000 0.427 736 Q N 1.271 121.050 119.800 -0.034 0.000 2.256 736 Q HA 0.709 5.010 4.340 -0.065 0.000 0.254 736 Q C -0.029 176.092 176.000 0.201 0.000 0.916 736 Q CA 0.347 56.184 55.803 0.057 0.000 0.932 736 Q CB 1.469 30.224 28.738 0.027 0.000 1.207 736 Q HN 1.314 nan 8.270 nan 0.000 0.426 737 G N 2.728 111.740 108.800 0.354 0.000 2.619 737 G HA2 0.563 4.484 3.960 -0.065 0.000 0.305 737 G HA3 0.563 4.484 3.960 -0.065 0.000 0.305 737 G C -1.585 173.632 174.900 0.527 0.000 1.330 737 G CA -0.737 44.609 45.100 0.410 0.000 0.789 737 G HN 0.500 nan 8.290 nan 0.000 0.487 738 R N -1.146 119.579 120.500 0.375 0.000 2.808 738 R HA 0.725 5.026 4.340 -0.065 0.000 0.272 738 R C -2.138 174.332 176.300 0.284 0.000 0.995 738 R CA -0.839 55.475 56.100 0.357 0.000 0.917 738 R CB 2.209 32.642 30.300 0.221 0.000 1.217 738 R HN 0.656 nan 8.270 nan 0.000 0.471 739 F N 0.157 120.170 119.950 0.104 0.000 3.306 739 F HA 0.319 4.808 4.527 -0.064 0.000 0.370 739 F C 0.449 176.358 175.800 0.182 0.000 1.251 739 F CA 0.755 58.780 58.000 0.043 0.000 1.276 739 F CB 0.766 39.661 39.000 -0.174 0.000 1.682 739 F HN 0.903 nan 8.300 nan 0.000 0.697 740 G N 3.651 112.265 108.800 -0.310 0.000 2.622 740 G HA2 -0.389 3.532 3.960 -0.065 0.000 0.307 740 G HA3 -0.389 3.532 3.960 -0.065 0.000 0.307 740 G C 1.049 175.604 174.900 -0.575 0.000 1.226 740 G CA 0.724 45.461 45.100 -0.605 0.000 0.997 740 G HN 1.657 nan 8.290 nan 0.000 0.551 741 S N 0.569 115.687 115.700 -0.969 0.000 2.603 741 S HA 0.566 4.997 4.470 -0.065 0.000 0.220 741 S C 1.089 175.341 174.600 -0.579 0.000 0.967 741 S CA 1.253 58.538 58.200 -1.524 0.000 0.920 741 S CB 0.023 62.110 63.200 -1.856 0.000 0.773 741 S HN 2.027 nan 8.310 nan 0.000 0.529 742 A N 1.601 124.411 122.820 -0.016 0.000 2.331 742 A HA 0.663 4.944 4.320 -0.065 0.000 0.283 742 A C 0.112 177.909 177.584 0.356 0.000 1.142 742 A CA -0.521 51.685 52.037 0.282 0.000 0.812 742 A CB 0.657 20.035 19.000 0.629 0.000 1.074 742 A HN 0.275 nan 8.150 nan 0.000 0.497 743 K N 1.407 121.957 120.400 0.251 0.000 2.501 743 K HA 0.617 4.898 4.320 -0.065 0.000 0.252 743 K C -0.117 176.486 176.600 0.006 0.000 0.934 743 K CA 0.343 56.759 56.287 0.215 0.000 0.797 743 K CB 2.021 34.607 32.500 0.144 0.000 1.270 743 K HN 1.461 nan 8.250 nan 0.000 0.431 744 G N 2.341 111.094 108.800 -0.077 0.000 2.439 744 G HA2 0.078 3.999 3.960 -0.065 0.000 0.186 744 G HA3 0.078 3.999 3.960 -0.065 0.000 0.186 744 G C -1.496 173.219 174.900 -0.309 0.000 1.260 744 G CA -0.737 44.227 45.100 -0.226 0.000 1.020 744 G HN 0.353 nan 8.290 nan 0.000 0.470 745 M N 0.324 119.668 119.600 -0.427 0.000 2.472 745 M HA 0.545 4.986 4.480 -0.065 0.000 0.331 745 M C -1.098 174.886 176.300 -0.527 0.000 1.170 745 M CA -0.396 54.732 55.300 -0.287 0.000 1.009 745 M CB 1.405 33.924 32.600 -0.136 0.000 1.672 745 M HN 0.595 nan 8.290 nan 0.000 0.453 746 W N 1.509 122.804 121.300 -0.007 0.000 2.739 746 W HA 0.632 5.253 4.660 -0.065 0.000 0.331 746 W C -1.085 175.411 176.519 -0.038 0.000 1.049 746 W CA -0.758 56.571 57.345 -0.027 0.000 1.234 746 W CB 1.981 31.391 29.460 -0.083 0.000 1.404 746 W HN 0.365 nan 8.180 nan 0.000 0.477 747 V N 5.158 125.166 119.914 0.158 0.000 2.628 747 V HA 0.476 4.558 4.120 -0.065 0.000 0.306 747 V C 0.057 176.200 176.094 0.082 0.000 1.045 747 V CA -0.941 61.436 62.300 0.127 0.000 0.905 747 V CB 1.792 33.748 31.823 0.222 0.000 0.997 747 V HN 0.417 nan 8.190 nan 0.000 0.436 748 I N 4.483 125.068 120.570 0.025 0.000 2.775 748 I HA 0.035 4.166 4.170 -0.065 0.000 0.290 748 I C 0.350 176.495 176.117 0.047 0.000 1.203 748 I CA 0.447 61.719 61.300 -0.047 0.000 1.433 748 I CB 0.300 38.244 38.000 -0.093 0.000 1.354 748 I HN 0.679 nan 8.210 nan 0.000 0.579 749 D N 5.814 126.236 120.400 0.037 0.000 2.338 749 D HA 0.070 4.672 4.640 -0.065 0.000 0.255 749 D C 1.058 177.387 176.300 0.047 0.000 1.237 749 D CA -0.373 53.777 54.000 0.250 0.000 0.883 749 D CB 1.317 42.333 40.800 0.360 0.000 1.087 749 D HN 0.346 nan 8.370 nan 0.000 0.485 750 V N 1.488 121.275 119.914 -0.211 0.000 2.720 750 V HA -0.122 3.959 4.120 -0.065 0.000 0.256 750 V C 0.998 176.972 176.094 -0.199 0.000 1.082 750 V CA 1.414 63.466 62.300 -0.412 0.000 1.101 750 V CB -0.242 31.073 31.823 -0.846 0.000 0.693 750 V HN 0.348 nan 8.190 nan 0.000 0.479 751 D N 0.263 120.651 120.400 -0.021 0.000 2.349 751 D HA 0.068 4.669 4.640 -0.065 0.000 0.215 751 D C 0.584 176.940 176.300 0.093 0.000 1.016 751 D CA 0.643 54.678 54.000 0.058 0.000 0.870 751 D CB -0.236 40.659 40.800 0.158 0.000 0.917 751 D HN 0.621 nan 8.370 nan 0.000 0.524 752 D N 0.447 120.916 120.400 0.115 0.000 2.349 752 D HA -0.010 4.591 4.640 -0.065 0.000 0.266 752 D C 1.092 177.425 176.300 0.055 0.000 1.293 752 D CA 0.325 54.406 54.000 0.136 0.000 0.926 752 D CB 0.569 41.439 40.800 0.117 0.000 1.090 752 D HN -0.014 nan 8.370 nan 0.000 0.502 753 T N 0.243 114.835 114.554 0.062 0.000 3.054 753 T HA 0.336 4.647 4.350 -0.065 0.000 0.255 753 T C 1.113 175.836 174.700 0.038 0.000 1.035 753 T CA -0.172 61.947 62.100 0.033 0.000 0.941 753 T CB 0.319 69.202 68.868 0.026 0.000 1.026 753 T HN 0.243 nan 8.240 nan 0.000 0.533 754 G N 1.671 110.511 108.800 0.067 0.000 2.553 754 G HA2 0.419 4.341 3.960 -0.065 0.000 0.278 754 G HA3 0.419 4.341 3.960 -0.065 0.000 0.278 754 G C -0.015 174.907 174.900 0.038 0.000 1.349 754 G CA -0.049 45.090 45.100 0.064 0.000 1.037 754 G HN 0.484 nan 8.290 nan 0.000 0.508 755 D N -0.934 119.486 120.400 0.034 0.000 2.620 755 D HA 0.086 4.687 4.640 -0.065 0.000 0.260 755 D C -0.455 175.852 176.300 0.011 0.000 1.367 755 D CA -0.147 53.856 54.000 0.005 0.000 0.805 755 D CB 0.606 41.406 40.800 -0.001 0.000 1.096 755 D HN 0.225 nan 8.370 nan 0.000 0.488 756 E N 1.376 121.608 120.200 0.053 0.000 2.231 756 E HA 0.207 4.518 4.350 -0.065 0.000 0.277 756 E C -0.417 176.212 176.600 0.048 0.000 0.999 756 E CA -0.494 55.954 56.400 0.079 0.000 0.827 756 E CB 1.694 31.480 29.700 0.143 0.000 1.101 756 E HN 0.052 nan 8.360 nan 0.000 0.393 757 D N 3.630 124.028 120.400 -0.002 0.000 2.371 757 D HA 0.169 4.770 4.640 -0.065 0.000 0.256 757 D C -0.138 176.155 176.300 -0.011 0.000 1.193 757 D CA 0.232 54.172 54.000 -0.099 0.000 0.881 757 D CB 0.371 41.112 40.800 -0.097 0.000 1.143 757 D HN 0.345 nan 8.370 nan 0.000 0.473 758 W N 1.965 123.165 121.300 -0.166 0.000 3.137 758 W HA 0.670 5.290 4.660 -0.065 0.000 0.324 758 W C -1.898 174.457 176.519 -0.274 0.000 1.253 758 W CA -1.034 56.183 57.345 -0.213 0.000 1.183 758 W CB 0.890 30.250 29.460 -0.167 0.000 1.424 758 W HN 0.202 nan 8.180 nan 0.000 0.566 759 I N 1.551 122.151 120.570 0.050 0.000 2.994 759 I HA 0.352 4.483 4.170 -0.065 0.000 0.306 759 I C -0.869 175.258 176.117 0.017 0.000 1.195 759 I CA -0.676 60.532 61.300 -0.154 0.000 1.001 759 I CB 2.731 40.303 38.000 -0.713 0.000 1.244 759 I HN 0.612 nan 8.210 nan 0.000 0.437 760 E N 2.932 123.202 120.200 0.117 0.000 2.320 760 E HA 0.666 4.977 4.350 -0.065 0.000 0.264 760 E C -1.501 175.210 176.600 0.185 0.000 0.923 760 E CA -0.619 55.790 56.400 0.014 0.000 0.796 760 E CB 2.311 32.048 29.700 0.063 0.000 1.262 760 E HN 0.541 nan 8.360 nan 0.000 0.428 761 T N -1.012 113.557 114.554 0.024 0.000 2.907 761 T HA 0.552 4.863 4.350 -0.065 0.000 0.292 761 T C -1.212 173.508 174.700 0.033 0.000 1.043 761 T CA -0.604 61.637 62.100 0.235 0.000 1.003 761 T CB 0.858 69.921 68.868 0.325 0.000 1.084 761 T HN 0.479 nan 8.240 nan 0.000 0.483 762 Y N 0.896 121.329 120.300 0.221 0.000 2.570 762 Y HA 0.458 4.969 4.550 -0.065 0.000 0.345 762 Y C -1.799 174.180 175.900 0.131 0.000 1.014 762 Y CA -2.371 55.837 58.100 0.180 0.000 1.063 762 Y CB 2.223 40.759 38.460 0.127 0.000 1.272 762 Y HN 0.404 nan 8.280 nan 0.000 0.477 763 P HA -0.223 nan 4.420 nan 0.000 0.216 763 P C 1.395 178.787 177.300 0.155 0.000 1.153 763 P CA 2.615 65.814 63.100 0.165 0.000 0.858 763 P CB 0.103 31.881 31.700 0.131 0.000 0.789 764 S N -1.281 114.515 115.700 0.159 0.000 2.447 764 S HA -0.178 4.253 4.470 -0.065 0.000 0.233 764 S C 1.903 176.565 174.600 0.103 0.000 1.006 764 S CA 0.934 59.201 58.200 0.112 0.000 0.957 764 S CB -1.024 62.220 63.200 0.074 0.000 0.773 764 S HN 0.257 nan 8.310 nan 0.000 0.507 765 Q N 0.526 120.404 119.800 0.130 0.000 2.302 765 Q HA 0.174 4.475 4.340 -0.065 0.000 0.202 765 Q C 0.327 176.394 176.000 0.112 0.000 0.936 765 Q CA 0.322 56.185 55.803 0.101 0.000 0.886 765 Q CB 0.155 28.959 28.738 0.111 0.000 0.986 765 Q HN 0.527 nan 8.270 nan 0.000 0.487 766 R N 1.393 121.965 120.500 0.120 0.000 2.248 766 R HA 0.134 4.435 4.340 -0.065 0.000 0.328 766 R C 0.449 176.770 176.300 0.035 0.000 1.067 766 R CA -0.136 55.993 56.100 0.047 0.000 0.924 766 R CB 0.586 30.931 30.300 0.076 0.000 1.013 766 R HN -0.127 nan 8.270 nan 0.000 0.454 767 K N 2.057 122.418 120.400 -0.065 0.000 2.367 767 K HA 0.059 4.340 4.320 -0.065 0.000 0.194 767 K C -0.070 176.732 176.600 0.338 0.000 1.027 767 K CA 0.397 56.767 56.287 0.138 0.000 1.075 767 K CB 0.280 32.907 32.500 0.212 0.000 0.845 767 K HN 0.588 nan 8.250 nan 0.000 0.529 768 W N -0.365 120.992 121.300 0.094 0.000 3.005 768 W HA 0.447 5.070 4.660 -0.061 0.000 0.343 768 W C -0.997 175.595 176.519 0.122 0.000 1.243 768 W CA -1.170 56.234 57.345 0.097 0.000 1.186 768 W CB 0.243 29.674 29.460 -0.048 0.000 1.453 768 W HN -0.252 nan 8.180 nan 0.000 0.575 769 E N 1.402 121.840 120.200 0.397 0.000 2.180 769 E HA 0.381 4.693 4.350 -0.065 0.000 0.283 769 E C -1.169 175.528 176.600 0.161 0.000 1.061 769 E CA -0.036 56.495 56.400 0.218 0.000 0.861 769 E CB 0.520 30.375 29.700 0.258 0.000 1.056 769 E HN 0.733 nan 8.360 nan 0.000 0.407 770 C N 5.311 124.587 119.300 -0.040 0.000 2.455 770 C HA 0.406 4.827 4.460 -0.065 0.000 0.320 770 C C 0.641 175.594 174.990 -0.062 0.000 1.226 770 C CA -0.399 58.498 59.018 -0.201 0.000 1.569 770 C CB 0.695 27.932 27.740 -0.839 0.000 2.200 770 C HN 0.936 nan 8.230 nan 0.000 0.491 771 D N 1.515 121.881 120.400 -0.056 0.000 2.333 771 D HA 0.037 4.638 4.640 -0.065 0.000 0.208 771 D C 0.739 177.143 176.300 0.172 0.000 0.984 771 D CA 0.076 54.109 54.000 0.054 0.000 0.873 771 D CB -0.368 40.444 40.800 0.021 0.000 0.935 771 D HN 0.585 nan 8.370 nan 0.000 0.521 772 F N -0.826 119.064 119.950 -0.099 0.000 3.057 772 F HA -0.265 4.224 4.527 -0.063 0.000 0.287 772 F C 1.313 177.075 175.800 -0.064 0.000 0.834 772 F CA 0.252 58.190 58.000 -0.103 0.000 1.147 772 F CB -1.759 37.219 39.000 -0.036 0.000 1.245 772 F HN -0.052 nan 8.300 nan 0.000 0.509 773 V N -0.814 119.128 119.914 0.046 0.000 2.302 773 V HA -0.143 3.938 4.120 -0.065 0.000 0.243 773 V C 1.387 177.502 176.094 0.035 0.000 1.036 773 V CA 1.675 64.002 62.300 0.047 0.000 1.020 773 V CB -0.238 31.606 31.823 0.034 0.000 0.657 773 V HN 0.497 nan 8.190 nan 0.000 0.453 774 D N 0.562 120.975 120.400 0.021 0.000 2.357 774 D HA -0.024 4.578 4.640 -0.065 0.000 0.242 774 D C 1.268 177.603 176.300 0.058 0.000 1.153 774 D CA -0.107 53.940 54.000 0.079 0.000 0.918 774 D CB 0.561 41.471 40.800 0.184 0.000 1.181 774 D HN 0.428 nan 8.370 nan 0.000 0.435 775 K N 1.165 121.599 120.400 0.055 0.000 2.209 775 K HA -0.220 4.061 4.320 -0.065 0.000 0.204 775 K C 1.356 177.901 176.600 -0.092 0.000 1.048 775 K CA 1.079 57.339 56.287 -0.045 0.000 0.940 775 K CB -0.386 32.052 32.500 -0.104 0.000 0.729 775 K HN 0.495 nan 8.250 nan 0.000 0.451 776 H N 0.710 119.799 119.070 0.031 0.000 2.491 776 H HA 0.013 4.531 4.556 -0.063 0.000 0.290 776 H C 1.475 176.753 175.328 -0.083 0.000 1.050 776 H CA 0.913 56.989 56.048 0.046 0.000 1.309 776 H CB 0.288 30.203 29.762 0.256 0.000 1.392 776 H HN 0.378 nan 8.280 nan 0.000 0.554 777 Q N 0.624 120.381 119.800 -0.071 0.000 2.432 777 Q HA 0.040 4.341 4.340 -0.065 0.000 0.205 777 Q C 1.242 176.997 176.000 -0.409 0.000 0.945 777 Q CA 0.473 56.092 55.803 -0.307 0.000 0.924 777 Q CB 0.234 28.739 28.738 -0.389 0.000 1.016 777 Q HN 0.441 nan 8.270 nan 0.000 0.503 778 R N -0.292 120.024 120.500 -0.307 0.000 2.577 778 R HA 0.206 4.507 4.340 -0.065 0.000 0.344 778 R C -0.272 175.917 176.300 -0.185 0.000 1.037 778 R CA 0.002 55.856 56.100 -0.408 0.000 1.102 778 R CB 0.972 31.237 30.300 -0.058 0.000 1.313 778 R HN -0.094 nan 8.270 nan 0.000 0.561 779 T N 1.731 116.188 114.554 -0.162 0.000 2.744 779 T HA 0.174 4.485 4.350 -0.065 0.000 0.291 779 T C -0.568 174.239 174.700 0.178 0.000 0.957 779 T CA -0.449 61.669 62.100 0.030 0.000 1.002 779 T CB 1.068 69.922 68.868 -0.024 0.000 0.919 779 T HN -0.031 nan 8.240 nan 0.000 0.468 780 L N 5.077 126.475 121.223 0.292 0.000 2.477 780 L HA 0.250 4.551 4.340 -0.065 0.000 0.272 780 L C -0.001 176.916 176.870 0.079 0.000 1.157 780 L CA 0.321 55.266 54.840 0.175 0.000 0.889 780 L CB -0.234 41.766 42.059 -0.097 0.000 1.158 780 L HN 0.600 nan 8.230 nan 0.000 0.473 781 E N 4.230 124.485 120.200 0.091 0.000 2.187 781 E HA 0.469 4.780 4.350 -0.065 0.000 0.268 781 E C -1.145 175.529 176.600 0.122 0.000 0.896 781 E CA -0.894 55.565 56.400 0.100 0.000 0.766 781 E CB 2.209 31.968 29.700 0.098 0.000 1.142 781 E HN 0.366 nan 8.360 nan 0.000 0.408 782 V N 3.717 123.724 119.914 0.154 0.000 2.394 782 V HA 0.191 4.272 4.120 -0.065 0.000 0.282 782 V C 0.958 177.196 176.094 0.241 0.000 1.031 782 V CA -0.330 62.078 62.300 0.180 0.000 0.881 782 V CB 1.356 33.258 31.823 0.132 0.000 0.982 782 V HN 0.657 nan 8.190 nan 0.000 0.451 783 R N 3.786 124.405 120.500 0.199 0.000 2.075 783 R HA 0.136 4.437 4.340 -0.065 0.000 0.220 783 R C 0.747 177.173 176.300 0.211 0.000 1.118 783 R CA 1.250 57.465 56.100 0.192 0.000 0.986 783 R CB 0.301 30.698 30.300 0.160 0.000 0.884 783 R HN 0.861 nan 8.270 nan 0.000 0.439 784 S N -1.449 114.349 115.700 0.162 0.000 2.615 784 S HA 0.571 5.002 4.470 -0.065 0.000 0.269 784 S C -0.884 173.753 174.600 0.061 0.000 1.161 784 S CA -0.447 57.839 58.200 0.142 0.000 0.817 784 S CB 1.510 64.832 63.200 0.203 0.000 1.131 784 S HN 0.292 nan 8.310 nan 0.000 0.467 785 V N -1.337 118.616 119.914 0.065 0.000 2.823 785 V HA 0.977 5.058 4.120 -0.065 0.000 0.312 785 V C 0.236 176.377 176.094 0.078 0.000 1.072 785 V CA -0.781 61.529 62.300 0.016 0.000 0.937 785 V CB 1.017 32.848 31.823 0.014 0.000 1.013 785 V HN 1.755 nan 8.190 nan 0.000 0.430 786 A N 2.944 125.782 122.820 0.031 0.000 2.522 786 A HA 0.617 4.898 4.320 -0.065 0.000 0.256 786 A C 0.500 178.191 177.584 0.179 0.000 1.086 786 A CA 0.411 52.563 52.037 0.193 0.000 0.763 786 A CB -0.476 18.613 19.000 0.150 0.000 1.024 786 A HN 1.133 nan 8.150 nan 0.000 0.502 787 S N 0.500 116.332 115.700 0.221 0.000 2.715 787 S HA 0.397 4.828 4.470 -0.065 0.000 0.307 787 S C -0.077 174.617 174.600 0.156 0.000 1.119 787 S CA -0.680 57.612 58.200 0.153 0.000 0.937 787 S CB 1.211 64.493 63.200 0.136 0.000 1.150 787 S HN 0.873 nan 8.310 nan 0.000 0.521 788 E N 1.030 121.302 120.200 0.120 0.000 2.413 788 E HA 0.136 4.447 4.350 -0.065 0.000 0.263 788 E C -0.892 175.780 176.600 0.121 0.000 1.015 788 E CA -0.006 56.466 56.400 0.120 0.000 0.916 788 E CB 0.342 30.090 29.700 0.080 0.000 0.947 788 E HN 0.359 nan 8.360 nan 0.000 0.440 789 L N 3.542 124.854 121.223 0.148 0.000 2.416 789 L HA 0.470 4.771 4.340 -0.065 0.000 0.262 789 L C 0.372 177.310 176.870 0.113 0.000 1.093 789 L CA -0.488 54.459 54.840 0.179 0.000 0.801 789 L CB 0.930 43.144 42.059 0.258 0.000 1.191 789 L HN 0.515 nan 8.230 nan 0.000 0.459 790 K N 0.100 120.586 120.400 0.144 0.000 2.508 790 K HA 0.364 4.645 4.320 -0.065 0.000 0.260 790 K C -1.045 175.633 176.600 0.130 0.000 0.949 790 K CA -0.591 55.704 56.287 0.013 0.000 0.834 790 K CB 2.231 34.743 32.500 0.020 0.000 1.365 790 K HN 0.555 nan 8.250 nan 0.000 0.437 791 S N 1.161 116.864 115.700 0.005 0.000 2.552 791 S HA 0.083 4.514 4.470 -0.065 0.000 0.289 791 S C 0.777 175.465 174.600 0.147 0.000 1.304 791 S CA 0.243 58.528 58.200 0.142 0.000 1.063 791 S CB 1.120 64.331 63.200 0.018 0.000 0.848 791 S HN 0.659 nan 8.310 nan 0.000 0.499 792 A N 3.258 126.179 122.820 0.168 0.000 2.014 792 A HA 0.577 4.858 4.320 -0.065 0.000 0.210 792 A C 1.258 178.996 177.584 0.258 0.000 1.188 792 A CA 0.719 52.915 52.037 0.266 0.000 0.731 792 A CB -1.035 18.120 19.000 0.257 0.000 0.858 792 A HN 1.598 nan 8.150 nan 0.000 0.464 793 G N -1.401 107.513 108.800 0.190 0.000 2.750 793 G HA2 0.025 3.946 3.960 -0.065 0.000 0.228 793 G HA3 0.025 3.946 3.960 -0.065 0.000 0.228 793 G C -0.648 174.420 174.900 0.279 0.000 1.367 793 G CA -0.021 45.186 45.100 0.178 0.000 0.871 793 G HN 1.127 nan 8.290 nan 0.000 0.560 794 L N 1.307 122.615 121.223 0.141 0.000 2.305 794 L HA 0.637 4.938 4.340 -0.065 0.000 0.284 794 L C 0.353 177.186 176.870 -0.062 0.000 1.013 794 L CA -0.902 53.950 54.840 0.019 0.000 0.819 794 L CB 1.197 43.268 42.059 0.020 0.000 1.227 794 L HN 1.039 nan 8.230 nan 0.000 0.417 795 N N 3.011 121.618 118.700 -0.154 0.000 2.509 795 N HA 0.320 5.021 4.740 -0.065 0.000 0.287 795 N C 0.811 176.229 175.510 -0.154 0.000 1.121 795 N CA -0.673 52.306 53.050 -0.118 0.000 0.977 795 N CB 0.829 39.259 38.487 -0.095 0.000 1.167 795 N HN 0.463 nan 8.380 nan 0.000 0.476 796 L N -0.725 120.426 121.223 -0.119 0.000 2.275 796 L HA -0.011 4.290 4.340 -0.065 0.000 0.215 796 L C 2.003 178.798 176.870 -0.125 0.000 1.119 796 L CA 1.458 56.224 54.840 -0.124 0.000 0.790 796 L CB -1.771 40.207 42.059 -0.136 0.000 0.919 796 L HN 0.896 nan 8.230 nan 0.000 0.443 797 Q N -0.387 119.338 119.800 -0.125 0.000 2.224 797 Q HA -0.146 4.155 4.340 -0.065 0.000 0.203 797 Q C 1.836 177.744 176.000 -0.154 0.000 0.970 797 Q CA 1.306 57.038 55.803 -0.119 0.000 0.865 797 Q CB -0.188 28.479 28.738 -0.118 0.000 0.922 797 Q HN 0.457 nan 8.270 nan 0.000 0.445 798 L N 0.336 121.429 121.223 -0.217 0.000 2.217 798 L HA -0.037 4.264 4.340 -0.065 0.000 0.211 798 L C 2.027 178.794 176.870 -0.172 0.000 1.107 798 L CA 1.234 55.914 54.840 -0.266 0.000 0.783 798 L CB -0.809 40.940 42.059 -0.517 0.000 0.919 798 L HN 0.363 nan 8.230 nan 0.000 0.442 799 L N -0.308 120.830 121.223 -0.141 0.000 2.012 799 L HA -0.201 4.100 4.340 -0.065 0.000 0.210 799 L C -0.089 176.746 176.870 -0.059 0.000 1.073 799 L CA 1.493 56.278 54.840 -0.091 0.000 0.748 799 L CB -1.707 40.300 42.059 -0.088 0.000 0.891 799 L HN 0.229 nan 8.230 nan 0.000 0.431 800 P HA -0.140 nan 4.420 nan 0.000 0.215 800 P C 1.889 179.187 177.300 -0.004 0.000 1.153 800 P CA 1.182 64.265 63.100 -0.028 0.000 0.853 800 P CB 0.052 31.766 31.700 0.024 0.000 0.788 801 V N -0.728 119.192 119.914 0.009 0.000 2.427 801 V HA -0.194 3.887 4.120 -0.065 0.000 0.248 801 V C 2.439 178.593 176.094 0.100 0.000 1.051 801 V CA 1.478 63.810 62.300 0.053 0.000 1.048 801 V CB -1.190 30.672 31.823 0.064 0.000 0.666 801 V HN 0.070 nan 8.190 nan 0.000 0.456 802 L N -0.089 121.192 121.223 0.096 0.000 2.046 802 L HA -0.199 4.103 4.340 -0.065 0.000 0.208 802 L C 2.639 179.562 176.870 0.088 0.000 1.077 802 L CA 1.996 56.939 54.840 0.171 0.000 0.747 802 L CB -0.485 41.633 42.059 0.098 0.000 0.896 802 L HN 0.442 nan 8.230 nan 0.000 0.432 803 E N 0.351 120.561 120.200 0.017 0.000 2.072 803 E HA -0.291 4.021 4.350 -0.065 0.000 0.191 803 E C 1.708 178.286 176.600 -0.037 0.000 0.985 803 E CA 1.610 57.997 56.400 -0.022 0.000 0.801 803 E CB 0.054 29.719 29.700 -0.059 0.000 0.750 803 E HN 0.437 nan 8.360 nan 0.000 0.452 804 D N -0.315 120.067 120.400 -0.029 0.000 2.149 804 D HA -0.153 4.448 4.640 -0.065 0.000 0.198 804 D C 1.706 177.953 176.300 -0.089 0.000 0.990 804 D CA 1.013 54.989 54.000 -0.039 0.000 0.839 804 D CB 0.214 41.010 40.800 -0.007 0.000 0.948 804 D HN -0.007 nan 8.370 nan 0.000 0.460 805 R N 0.040 120.456 120.500 -0.139 0.000 2.334 805 R HA 0.344 4.645 4.340 -0.065 0.000 0.216 805 R C 0.079 176.161 176.300 -0.362 0.000 0.905 805 R CA 0.118 55.995 56.100 -0.371 0.000 1.064 805 R CB -0.071 29.795 30.300 -0.723 0.000 1.046 805 R HN 0.101 nan 8.270 nan 0.000 0.508 806 A N 1.564 124.293 122.820 -0.153 0.000 2.492 806 A HA 0.067 4.348 4.320 -0.065 0.000 0.254 806 A C 1.473 179.007 177.584 -0.084 0.000 1.091 806 A CA -0.144 51.845 52.037 -0.080 0.000 0.768 806 A CB 0.247 19.230 19.000 -0.028 0.000 1.028 806 A HN 0.252 nan 8.150 nan 0.000 0.498 807 R N 0.990 121.452 120.500 -0.064 0.000 2.103 807 R HA -0.155 4.147 4.340 -0.065 0.000 0.242 807 R C -0.399 175.880 176.300 -0.035 0.000 1.142 807 R CA 1.923 57.995 56.100 -0.047 0.000 0.960 807 R CB 0.181 30.467 30.300 -0.023 0.000 0.858 807 R HN 0.784 nan 8.270 nan 0.000 0.439 808 D N -0.536 119.849 120.400 -0.025 0.000 2.473 808 D HA 0.137 4.738 4.640 -0.065 0.000 0.253 808 D C -0.326 175.956 176.300 -0.029 0.000 1.233 808 D CA -0.293 53.692 54.000 -0.025 0.000 0.908 808 D CB 1.528 42.319 40.800 -0.016 0.000 1.170 808 D HN -0.007 nan 8.370 nan 0.000 0.558 809 K N 1.567 121.942 120.400 -0.041 0.000 2.167 809 K HA 0.016 4.297 4.320 -0.065 0.000 0.203 809 K C 1.760 178.321 176.600 -0.066 0.000 1.052 809 K CA 0.493 56.748 56.287 -0.053 0.000 0.956 809 K CB 0.490 32.952 32.500 -0.062 0.000 0.735 809 K HN 0.217 nan 8.250 nan 0.000 0.451 810 V N 1.819 121.694 119.914 -0.064 0.000 2.427 810 V HA -0.227 3.855 4.120 -0.065 0.000 0.248 810 V C 2.025 178.083 176.094 -0.061 0.000 1.051 810 V CA 1.709 63.963 62.300 -0.076 0.000 1.048 810 V CB -0.255 31.532 31.823 -0.060 0.000 0.666 810 V HN 0.256 nan 8.190 nan 0.000 0.456 811 K N -0.916 119.462 120.400 -0.037 0.000 2.116 811 K HA -0.045 4.237 4.320 -0.065 0.000 0.203 811 K C 2.208 178.801 176.600 -0.013 0.000 1.052 811 K CA 1.020 57.295 56.287 -0.019 0.000 0.952 811 K CB -0.220 32.275 32.500 -0.008 0.000 0.729 811 K HN 0.274 nan 8.250 nan 0.000 0.446 812 M N 1.451 121.042 119.600 -0.015 0.000 2.082 812 M HA -0.235 4.206 4.480 -0.065 0.000 0.258 812 M C 2.145 178.439 176.300 -0.011 0.000 1.069 812 M CA 1.796 57.094 55.300 -0.003 0.000 1.102 812 M CB -0.416 32.182 32.600 -0.003 0.000 1.336 812 M HN 0.034 nan 8.290 nan 0.000 0.404 813 R N -0.433 120.039 120.500 -0.046 0.000 2.115 813 R HA -0.192 4.109 4.340 -0.065 0.000 0.226 813 R C 2.150 178.434 176.300 -0.027 0.000 1.100 813 R CA 1.697 57.755 56.100 -0.070 0.000 0.980 813 R CB -0.315 29.877 30.300 -0.181 0.000 0.875 813 R HN 0.431 nan 8.270 nan 0.000 0.445 814 Q N 0.765 120.547 119.800 -0.029 0.000 2.050 814 Q HA -0.080 4.221 4.340 -0.065 0.000 0.202 814 Q C 1.880 177.908 176.000 0.046 0.000 0.980 814 Q CA 2.355 58.172 55.803 0.022 0.000 0.840 814 Q CB -0.366 28.376 28.738 0.006 0.000 0.898 814 Q HN 0.430 nan 8.270 nan 0.000 0.424 815 A N 0.328 123.165 122.820 0.029 0.000 1.902 815 A HA -0.143 4.138 4.320 -0.065 0.000 0.217 815 A C 1.995 179.604 177.584 0.041 0.000 1.181 815 A CA 1.549 53.605 52.037 0.033 0.000 0.623 815 A CB -0.667 18.349 19.000 0.026 0.000 0.818 815 A HN 0.474 nan 8.150 nan 0.000 0.443 816 I N -0.203 120.394 120.570 0.046 0.000 2.353 816 I HA -0.145 3.986 4.170 -0.065 0.000 0.248 816 I C 2.656 178.811 176.117 0.063 0.000 1.119 816 I CA 1.435 62.764 61.300 0.049 0.000 1.417 816 I CB -1.893 36.132 38.000 0.042 0.000 1.078 816 I HN 0.357 nan 8.210 nan 0.000 0.421 817 G N 0.775 109.638 108.800 0.105 0.000 2.421 817 G HA2 -0.228 3.693 3.960 -0.065 0.000 0.216 817 G HA3 -0.228 3.693 3.960 -0.065 0.000 0.216 817 G C 1.316 176.247 174.900 0.052 0.000 1.171 817 G CA 0.635 45.796 45.100 0.101 0.000 0.775 817 G HN 0.287 nan 8.290 nan 0.000 0.543 818 D N 0.144 120.577 120.400 0.055 0.000 2.104 818 D HA -0.115 4.486 4.640 -0.065 0.000 0.194 818 D C 2.374 178.693 176.300 0.032 0.000 0.994 818 D CA 0.809 54.832 54.000 0.037 0.000 0.830 818 D CB -0.288 40.534 40.800 0.036 0.000 0.959 818 D HN 0.296 nan 8.370 nan 0.000 0.452 819 R N 0.285 120.806 120.500 0.034 0.000 2.096 819 R HA -0.177 4.124 4.340 -0.065 0.000 0.240 819 R C 2.319 178.638 176.300 0.031 0.000 1.139 819 R CA 1.052 57.171 56.100 0.032 0.000 0.952 819 R CB -0.427 29.892 30.300 0.031 0.000 0.854 819 R HN 0.153 nan 8.270 nan 0.000 0.436 820 L N 1.087 122.327 121.223 0.027 0.000 2.046 820 L HA -0.103 4.198 4.340 -0.065 0.000 0.208 820 L C 2.036 178.921 176.870 0.024 0.000 1.077 820 L CA 1.610 56.463 54.840 0.022 0.000 0.747 820 L CB -0.417 41.645 42.059 0.004 0.000 0.896 820 L HN 0.244 nan 8.230 nan 0.000 0.432 821 I N -0.020 120.558 120.570 0.014 0.000 2.163 821 I HA -0.339 3.792 4.170 -0.065 0.000 0.243 821 I C 2.172 178.307 176.117 0.030 0.000 1.085 821 I CA 1.431 62.737 61.300 0.010 0.000 1.347 821 I CB -0.562 37.438 38.000 -0.000 0.000 1.044 821 I HN 0.396 nan 8.210 nan 0.000 0.408 822 N N 0.709 119.429 118.700 0.034 0.000 2.058 822 N HA -0.233 4.468 4.740 -0.065 0.000 0.191 822 N C 1.558 177.106 175.510 0.062 0.000 1.037 822 N CA 1.769 54.845 53.050 0.043 0.000 0.848 822 N CB -0.641 37.868 38.487 0.037 0.000 1.021 822 N HN 0.362 nan 8.380 nan 0.000 0.422 823 D N 0.109 120.546 120.400 0.062 0.000 2.123 823 D HA -0.118 4.483 4.640 -0.065 0.000 0.196 823 D C 1.898 178.268 176.300 0.116 0.000 0.992 823 D CA 0.479 54.524 54.000 0.076 0.000 0.833 823 D CB -0.086 40.751 40.800 0.062 0.000 0.954 823 D HN 0.014 nan 8.370 nan 0.000 0.455 824 L N 0.789 122.089 121.223 0.128 0.000 1.994 824 L HA -0.128 4.173 4.340 -0.065 0.000 0.208 824 L C 2.372 179.419 176.870 0.296 0.000 1.071 824 L CA 1.903 56.874 54.840 0.218 0.000 0.745 824 L CB -1.376 40.775 42.059 0.152 0.000 0.892 824 L HN 0.165 nan 8.230 nan 0.000 0.431 825 Q N -0.627 119.268 119.800 0.157 0.000 2.118 825 Q HA -0.313 3.988 4.340 -0.065 0.000 0.211 825 Q C 2.484 178.594 176.000 0.184 0.000 0.998 825 Q CA 2.575 58.457 55.803 0.132 0.000 0.872 825 Q CB -0.320 28.457 28.738 0.065 0.000 0.925 825 Q HN 0.466 nan 8.270 nan 0.000 0.414 826 R N 0.017 120.608 120.500 0.152 0.000 2.075 826 R HA -0.194 4.107 4.340 -0.065 0.000 0.232 826 R C 2.322 178.716 176.300 0.157 0.000 1.126 826 R CA 1.888 58.066 56.100 0.129 0.000 0.963 826 R CB -0.241 30.116 30.300 0.096 0.000 0.858 826 R HN 0.603 nan 8.270 nan 0.000 0.435 827 Q N -1.197 118.716 119.800 0.188 0.000 2.245 827 Q HA -0.093 4.208 4.340 -0.065 0.000 0.201 827 Q C 1.675 177.755 176.000 0.132 0.000 0.955 827 Q CA 0.955 56.854 55.803 0.159 0.000 0.870 827 Q CB -0.281 28.529 28.738 0.120 0.000 0.945 827 Q HN 0.263 nan 8.270 nan 0.000 0.461 828 F N 1.963 121.979 119.950 0.111 0.000 2.113 828 F HA -0.084 4.404 4.527 -0.065 0.000 0.297 828 F C 2.564 178.372 175.800 0.014 0.000 1.103 828 F CA 1.498 59.546 58.000 0.080 0.000 1.248 828 F CB -0.203 38.858 39.000 0.101 0.000 0.999 828 F HN 0.027 nan 8.300 nan 0.000 0.475 829 S N -0.387 115.441 115.700 0.213 0.000 2.383 829 S HA -0.213 4.218 4.470 -0.065 0.000 0.229 829 S C 1.842 176.497 174.600 0.092 0.000 1.030 829 S CA 1.516 59.784 58.200 0.113 0.000 1.002 829 S CB -0.380 62.875 63.200 0.091 0.000 0.829 829 S HN 0.447 nan 8.310 nan 0.000 0.467 830 E N 0.518 120.787 120.200 0.115 0.000 2.158 830 E HA -0.079 4.232 4.350 -0.065 0.000 0.191 830 E C 2.327 178.965 176.600 0.064 0.000 0.982 830 E CA 0.471 56.960 56.400 0.149 0.000 0.823 830 E CB -0.053 29.765 29.700 0.198 0.000 0.766 830 E HN 0.361 nan 8.360 nan 0.000 0.468 831 Q N 1.354 121.124 119.800 -0.050 0.000 2.046 831 Q HA -0.190 4.111 4.340 -0.065 0.000 0.200 831 Q C 2.095 177.815 176.000 -0.468 0.000 0.975 831 Q CA 1.575 57.096 55.803 -0.469 0.000 0.836 831 Q CB 0.059 28.551 28.738 -0.411 0.000 0.896 831 Q HN 0.250 nan 8.270 nan 0.000 0.428 832 K N -0.975 119.250 120.400 -0.291 0.000 2.155 832 K HA -0.158 4.123 4.320 -0.065 0.000 0.203 832 K C 2.036 178.535 176.600 -0.168 0.000 1.052 832 K CA 1.297 57.405 56.287 -0.299 0.000 0.948 832 K CB -0.645 31.693 32.500 -0.269 0.000 0.728 832 K HN 0.287 nan 8.250 nan 0.000 0.448 833 H N 1.070 120.055 119.070 -0.142 0.000 2.357 833 H HA 0.035 4.552 4.556 -0.065 0.000 0.301 833 H C 1.926 177.210 175.328 -0.072 0.000 1.082 833 H CA 1.508 57.505 56.048 -0.084 0.000 1.342 833 H CB 0.126 29.868 29.762 -0.032 0.000 1.389 833 H HN 0.345 nan 8.280 nan 0.000 0.511 834 A N 1.307 123.968 122.820 -0.264 0.000 2.019 834 A HA -0.115 4.166 4.320 -0.065 0.000 0.219 834 A C 2.360 179.862 177.584 -0.136 0.000 1.164 834 A CA 0.939 52.853 52.037 -0.205 0.000 0.644 834 A CB -0.620 18.373 19.000 -0.012 0.000 0.805 834 A HN 0.398 nan 8.150 nan 0.000 0.449 835 L N 0.485 121.553 121.223 -0.258 0.000 2.265 835 L HA -0.051 4.250 4.340 -0.065 0.000 0.215 835 L C 0.998 177.657 176.870 -0.352 0.000 1.117 835 L CA 1.266 55.834 54.840 -0.453 0.000 0.782 835 L CB -0.961 40.757 42.059 -0.568 0.000 0.914 835 L HN 0.335 nan 8.230 nan 0.000 0.441 836 N N 1.099 119.645 118.700 -0.256 0.000 2.551 836 N HA 0.019 4.720 4.740 -0.065 0.000 0.199 836 N C -0.549 174.890 175.510 -0.118 0.000 1.277 836 N CA 0.316 53.257 53.050 -0.182 0.000 0.870 836 N CB 0.050 38.448 38.487 -0.149 0.000 1.028 836 N HN 0.363 nan 8.380 nan 0.000 0.452 837 R N -1.099 119.365 120.500 -0.061 0.000 4.167 837 R HA 0.074 4.375 4.340 -0.065 0.000 0.253 837 R C -2.332 174.019 176.300 0.086 0.000 1.057 837 R CA -0.910 55.203 56.100 0.021 0.000 1.305 837 R CB 1.161 31.484 30.300 0.039 0.000 1.245 837 R HN -0.173 nan 8.270 nan 0.000 0.550 838 P HA -0.244 nan 4.420 nan 0.000 0.216 838 P C 1.501 178.901 177.300 0.166 0.000 1.157 838 P CA 1.602 64.794 63.100 0.153 0.000 0.880 838 P CB 0.180 31.948 31.700 0.114 0.000 0.791 839 V N -1.566 118.433 119.914 0.141 0.000 2.392 839 V HA -0.260 3.822 4.120 -0.065 0.000 0.249 839 V C 2.045 178.240 176.094 0.167 0.000 1.059 839 V CA 1.911 64.302 62.300 0.152 0.000 1.051 839 V CB -1.653 30.278 31.823 0.180 0.000 0.658 839 V HN 0.135 nan 8.190 nan 0.000 0.455 840 E N -0.487 119.811 120.200 0.163 0.000 2.112 840 E HA -0.052 4.259 4.350 -0.065 0.000 0.190 840 E C 1.955 178.705 176.600 0.249 0.000 0.979 840 E CA 1.170 57.666 56.400 0.160 0.000 0.814 840 E CB -0.197 29.542 29.700 0.064 0.000 0.762 840 E HN 0.606 nan 8.360 nan 0.000 0.460 841 F N 2.099 122.095 119.950 0.077 0.000 2.146 841 F HA -0.093 4.395 4.527 -0.065 0.000 0.298 841 F C 2.422 178.358 175.800 0.226 0.000 1.096 841 F CA 1.317 59.390 58.000 0.121 0.000 1.275 841 F CB -0.147 38.880 39.000 0.044 0.000 1.008 841 F HN -0.199 nan 8.300 nan 0.000 0.480 842 R N -0.025 120.583 120.500 0.180 0.000 2.096 842 R HA -0.286 4.015 4.340 -0.065 0.000 0.240 842 R C 2.289 178.655 176.300 0.110 0.000 1.139 842 R CA 2.123 58.285 56.100 0.103 0.000 0.952 842 R CB -0.500 29.865 30.300 0.109 0.000 0.854 842 R HN 0.294 nan 8.270 nan 0.000 0.436 843 Q N -0.467 119.419 119.800 0.144 0.000 2.124 843 Q HA -0.191 4.110 4.340 -0.065 0.000 0.202 843 Q C 1.570 177.682 176.000 0.188 0.000 0.977 843 Q CA 2.123 58.020 55.803 0.158 0.000 0.850 843 Q CB -0.466 28.366 28.738 0.157 0.000 0.901 843 Q HN 0.552 nan 8.270 nan 0.000 0.429 844 W N -0.894 120.401 121.300 -0.008 0.000 2.381 844 W HA -0.109 4.512 4.660 -0.065 0.000 0.301 844 W C 1.736 178.173 176.519 -0.137 0.000 1.205 844 W CA 1.476 58.787 57.345 -0.056 0.000 1.285 844 W CB -0.167 29.262 29.460 -0.051 0.000 1.133 844 W HN -0.026 nan 8.180 nan 0.000 0.521 845 V N 0.394 120.295 119.914 -0.022 0.000 2.295 845 V HA -0.351 3.730 4.120 -0.065 0.000 0.246 845 V C 1.967 177.979 176.094 -0.136 0.000 1.049 845 V CA 2.246 64.442 62.300 -0.173 0.000 1.024 845 V CB -1.486 30.235 31.823 -0.170 0.000 0.648 845 V HN 0.369 nan 8.190 nan 0.000 0.447 846 Y N 1.421 121.643 120.300 -0.129 0.000 2.181 846 Y HA -0.239 4.272 4.550 -0.065 0.000 0.288 846 Y C 2.436 178.250 175.900 -0.144 0.000 1.146 846 Y CA 2.139 60.181 58.100 -0.096 0.000 1.164 846 Y CB -0.135 38.288 38.460 -0.061 0.000 0.982 846 Y HN 0.367 nan 8.280 nan 0.000 0.515 847 E N -0.620 119.462 120.200 -0.196 0.000 2.347 847 E HA -0.116 4.195 4.350 -0.065 0.000 0.196 847 E C 2.137 178.495 176.600 -0.404 0.000 1.008 847 E CA 0.946 57.171 56.400 -0.291 0.000 0.852 847 E CB -0.109 29.493 29.700 -0.163 0.000 0.783 847 E HN 0.564 nan 8.360 nan 0.000 0.505 848 S N -0.362 115.033 115.700 -0.508 0.000 2.522 848 S HA -0.080 4.351 4.470 -0.065 0.000 0.227 848 S C 0.178 174.644 174.600 -0.224 0.000 0.986 848 S CA 0.011 57.895 58.200 -0.527 0.000 0.929 848 S CB -0.000 62.683 63.200 -0.861 0.000 0.769 848 S HN 0.355 nan 8.310 nan 0.000 0.529 849 Y N 0.409 120.490 120.300 -0.364 0.000 2.474 849 Y HA 0.471 4.982 4.550 -0.065 0.000 0.326 849 Y C -1.096 174.625 175.900 -0.299 0.000 1.160 849 Y CA -0.813 57.124 58.100 -0.272 0.000 1.056 849 Y CB 1.130 39.464 38.460 -0.211 0.000 1.330 849 Y HN 0.005 nan 8.280 nan 0.000 0.447 850 S N 3.083 118.206 115.700 -0.962 0.000 2.452 850 S HA 0.375 4.806 4.470 -0.065 0.000 0.284 850 S C 0.111 174.172 174.600 -0.898 0.000 1.171 850 S CA -0.085 57.648 58.200 -0.778 0.000 1.064 850 S CB 0.840 63.743 63.200 -0.495 0.000 0.967 850 S HN 0.690 nan 8.310 nan 0.000 0.484 851 S N 3.838 119.275 115.700 -0.439 0.000 2.559 851 S HA 0.167 4.598 4.470 -0.065 0.000 0.226 851 S C 1.647 176.216 174.600 -0.051 0.000 1.000 851 S CA -0.430 57.677 58.200 -0.156 0.000 0.948 851 S CB 0.086 63.326 63.200 0.067 0.000 0.870 851 S HN 0.778 nan 8.310 nan 0.000 0.497 852 R N 2.037 122.485 120.500 -0.087 0.000 2.081 852 R HA -0.046 4.255 4.340 -0.065 0.000 0.235 852 R C 2.158 178.466 176.300 0.012 0.000 1.131 852 R CA 1.626 57.717 56.100 -0.016 0.000 0.960 852 R CB -0.373 29.912 30.300 -0.026 0.000 0.856 852 R HN 0.346 nan 8.270 nan 0.000 0.436 853 A N -0.292 122.521 122.820 -0.011 0.000 1.898 853 A HA -0.112 4.169 4.320 -0.065 0.000 0.216 853 A C 2.138 179.767 177.584 0.074 0.000 1.181 853 A CA 1.914 53.964 52.037 0.022 0.000 0.620 853 A CB -0.814 18.187 19.000 0.001 0.000 0.819 853 A HN 0.465 nan 8.150 nan 0.000 0.442 854 T N -0.075 114.544 114.554 0.108 0.000 2.708 854 T HA -0.152 4.159 4.350 -0.065 0.000 0.266 854 T C 2.056 176.938 174.700 0.304 0.000 1.037 854 T CA 1.600 63.838 62.100 0.230 0.000 1.146 854 T CB -0.261 68.735 68.868 0.214 0.000 0.865 854 T HN 0.533 nan 8.240 nan 0.000 0.435 855 R N 0.443 121.060 120.500 0.195 0.000 2.091 855 R HA -0.050 4.251 4.340 -0.065 0.000 0.238 855 R C 2.540 178.947 176.300 0.179 0.000 1.136 855 R CA 1.083 57.296 56.100 0.188 0.000 0.959 855 R CB -0.868 29.505 30.300 0.121 0.000 0.856 855 R HN 0.234 nan 8.270 nan 0.000 0.437 856 V N 0.412 120.402 119.914 0.126 0.000 2.343 856 V HA -0.265 3.817 4.120 -0.065 0.000 0.247 856 V C 2.450 178.603 176.094 0.098 0.000 1.051 856 V CA 2.131 64.497 62.300 0.109 0.000 1.036 856 V CB -0.478 31.388 31.823 0.072 0.000 0.654 856 V HN 0.387 nan 8.190 nan 0.000 0.451 857 S N -0.641 115.095 115.700 0.060 0.000 2.382 857 S HA -0.224 4.208 4.470 -0.065 0.000 0.228 857 S C 1.806 176.313 174.600 -0.154 0.000 1.027 857 S CA 1.935 60.093 58.200 -0.069 0.000 0.991 857 S CB -0.293 62.816 63.200 -0.152 0.000 0.823 857 S HN 0.819 nan 8.310 nan 0.000 0.469 858 H N -0.518 118.618 119.070 0.111 0.000 2.592 858 H HA 0.383 4.900 4.556 -0.065 0.000 0.265 858 H C 1.567 176.982 175.328 0.145 0.000 0.955 858 H CA 0.366 56.484 56.048 0.118 0.000 1.175 858 H CB 0.118 29.954 29.762 0.124 0.000 1.433 858 H HN 0.473 nan 8.280 nan 0.000 0.537 859 G N 1.261 110.224 108.800 0.272 0.000 2.198 859 G HA2 -0.333 3.588 3.960 -0.065 0.000 0.260 859 G HA3 -0.333 3.588 3.960 -0.065 0.000 0.260 859 G C 0.206 175.353 174.900 0.413 0.000 1.025 859 G CA 0.670 45.982 45.100 0.353 0.000 0.769 859 G HN 0.701 nan 8.290 nan 0.000 0.507 860 R N -3.317 117.372 120.500 0.314 0.000 3.110 860 R HA 0.315 4.616 4.340 -0.065 0.000 0.287 860 R C -1.414 175.027 176.300 0.236 0.000 0.969 860 R CA -0.584 55.675 56.100 0.266 0.000 0.828 860 R CB 0.099 30.546 30.300 0.245 0.000 1.354 860 R HN 0.475 nan 8.270 nan 0.000 0.524 861 V N 3.015 123.079 119.914 0.251 0.000 2.415 861 V HA 0.275 4.356 4.120 -0.065 0.000 0.267 861 V C -1.709 174.513 176.094 0.213 0.000 1.042 861 V CA -1.099 61.346 62.300 0.241 0.000 1.000 861 V CB 0.670 32.708 31.823 0.359 0.000 1.015 861 V HN 0.561 nan 8.190 nan 0.000 0.478 862 P HA 0.265 nan 4.420 nan 0.000 0.271 862 P C -0.943 176.430 177.300 0.121 0.000 1.216 862 P CA -0.144 62.938 63.100 -0.031 0.000 0.776 862 P CB 0.591 32.051 31.700 -0.398 0.000 0.881 863 F N 1.844 121.704 119.950 -0.150 0.000 2.492 863 F HA 0.447 4.935 4.527 -0.065 0.000 0.327 863 F C 0.162 175.868 175.800 -0.157 0.000 1.079 863 F CA -0.972 56.924 58.000 -0.174 0.000 0.967 863 F CB 1.630 40.507 39.000 -0.206 0.000 1.169 863 F HN 0.078 nan 8.300 nan 0.000 0.472 864 L N 3.677 124.847 121.223 -0.087 0.000 2.294 864 L HA 0.723 5.024 4.340 -0.065 0.000 0.283 864 L C 0.244 176.992 176.870 -0.203 0.000 1.015 864 L CA 0.189 54.968 54.840 -0.101 0.000 0.831 864 L CB 0.239 42.263 42.059 -0.059 0.000 1.217 864 L HN 0.911 nan 8.230 nan 0.000 0.420 865 A N 4.427 127.021 122.820 -0.376 0.000 5.295 865 A HA -0.255 4.026 4.320 -0.065 0.000 0.313 865 A C 1.259 178.477 177.584 -0.610 0.000 1.912 865 A CA 1.083 52.598 52.037 -0.871 0.000 0.714 865 A CB -2.064 16.645 19.000 -0.485 0.000 1.319 865 A HN 1.458 nan 8.150 nan 0.000 0.375 866 G N -0.887 107.713 108.800 -0.332 0.000 3.141 866 G HA2 0.484 4.405 3.960 -0.065 0.000 0.218 866 G HA3 0.484 4.405 3.960 -0.065 0.000 0.218 866 G C 0.180 175.083 174.900 0.005 0.000 1.170 866 G CA 0.876 45.954 45.100 -0.037 0.000 0.769 866 G HN 0.790 nan 8.290 nan 0.000 0.546 867 L N -0.832 120.232 121.223 -0.265 0.000 2.415 867 L HA 0.392 4.693 4.340 -0.065 0.000 0.256 867 L C -2.572 173.560 176.870 -1.230 0.000 1.010 867 L CA -2.405 52.012 54.840 -0.704 0.000 0.826 867 L CB 3.094 45.000 42.059 -0.254 0.000 1.405 867 L HN -0.228 nan 8.230 nan 0.000 0.410 868 P HA -0.021 nan 4.420 nan 0.000 0.266 868 P C -0.306 176.752 177.300 -0.403 0.000 1.193 868 P CA 0.066 62.610 63.100 -0.927 0.000 0.770 868 P CB 0.592 31.954 31.700 -0.564 0.000 0.836 869 D N 0.029 120.285 120.400 -0.240 0.000 2.126 869 D HA -0.128 4.473 4.640 -0.065 0.000 0.190 869 D C 0.826 177.068 176.300 -0.096 0.000 1.001 869 D CA 1.567 55.499 54.000 -0.114 0.000 0.841 869 D CB -0.379 40.381 40.800 -0.067 0.000 0.949 869 D HN 0.312 nan 8.370 nan 0.000 0.446 870 S N -0.127 115.514 115.700 -0.099 0.000 2.523 870 S HA 0.069 4.500 4.470 -0.065 0.000 0.275 870 S C 1.053 175.591 174.600 -0.104 0.000 1.281 870 S CA -0.469 57.671 58.200 -0.100 0.000 1.050 870 S CB 1.373 64.543 63.200 -0.050 0.000 0.937 870 S HN 0.042 nan 8.310 nan 0.000 0.492 871 Q N 2.591 122.318 119.800 -0.121 0.000 2.096 871 Q HA -0.185 4.116 4.340 -0.065 0.000 0.204 871 Q C 1.620 177.583 176.000 -0.062 0.000 0.982 871 Q CA 2.152 57.898 55.803 -0.095 0.000 0.850 871 Q CB -0.104 28.570 28.738 -0.106 0.000 0.901 871 Q HN 0.802 nan 8.270 nan 0.000 0.422 872 E N 0.462 120.609 120.200 -0.088 0.000 2.077 872 E HA -0.212 4.099 4.350 -0.065 0.000 0.193 872 E C 1.756 178.382 176.600 0.044 0.000 0.989 872 E CA 1.153 57.533 56.400 -0.032 0.000 0.800 872 E CB -0.003 29.662 29.700 -0.058 0.000 0.746 872 E HN 0.203 nan 8.360 nan 0.000 0.452 873 E N -0.232 119.999 120.200 0.050 0.000 2.106 873 E HA -0.100 4.211 4.350 -0.065 0.000 0.192 873 E C 1.833 178.505 176.600 0.121 0.000 0.984 873 E CA 1.397 57.862 56.400 0.110 0.000 0.806 873 E CB -0.185 29.561 29.700 0.077 0.000 0.750 873 E HN 0.160 nan 8.360 nan 0.000 0.458 874 T N 0.689 115.265 114.554 0.036 0.000 2.746 874 T HA -0.121 4.190 4.350 -0.065 0.000 0.267 874 T C 1.828 176.624 174.700 0.161 0.000 1.039 874 T CA 1.193 63.331 62.100 0.063 0.000 1.142 874 T CB -0.270 68.594 68.868 -0.007 0.000 0.866 874 T HN 0.112 nan 8.240 nan 0.000 0.444 875 L N 1.124 122.417 121.223 0.117 0.000 1.989 875 L HA -0.173 4.128 4.340 -0.065 0.000 0.211 875 L C 2.562 179.553 176.870 0.202 0.000 1.071 875 L CA 1.246 56.175 54.840 0.148 0.000 0.749 875 L CB -0.594 41.544 42.059 0.133 0.000 0.890 875 L HN 0.210 nan 8.230 nan 0.000 0.431 876 N N -0.497 118.327 118.700 0.206 0.000 2.216 876 N HA -0.187 4.514 4.740 -0.065 0.000 0.183 876 N C 1.641 177.346 175.510 0.324 0.000 1.017 876 N CA 1.009 54.200 53.050 0.234 0.000 0.861 876 N CB -0.459 38.153 38.487 0.208 0.000 0.986 876 N HN 0.200 nan 8.380 nan 0.000 0.428 877 F N 1.684 121.780 119.950 0.244 0.000 2.095 877 F HA -0.094 4.394 4.527 -0.065 0.000 0.298 877 F C 1.915 177.859 175.800 0.241 0.000 1.104 877 F CA 1.279 59.436 58.000 0.262 0.000 1.232 877 F CB -0.268 38.828 39.000 0.160 0.000 0.987 877 F HN -0.051 nan 8.300 nan 0.000 0.475 878 L N -0.684 120.684 121.223 0.243 0.000 2.072 878 L HA -0.191 4.110 4.340 -0.065 0.000 0.205 878 L C 2.523 179.586 176.870 0.323 0.000 1.079 878 L CA 1.196 56.198 54.840 0.270 0.000 0.752 878 L CB -0.599 41.603 42.059 0.238 0.000 0.906 878 L HN 0.196 nan 8.230 nan 0.000 0.436 879 M N -0.375 119.373 119.600 0.246 0.000 2.213 879 M HA -0.163 4.278 4.480 -0.065 0.000 0.263 879 M C 1.719 178.086 176.300 0.112 0.000 1.062 879 M CA 1.309 56.730 55.300 0.202 0.000 1.105 879 M CB -0.405 32.318 32.600 0.205 0.000 1.385 879 M HN 0.254 nan 8.290 nan 0.000 0.417 880 N N -0.135 118.622 118.700 0.094 0.000 2.453 880 N HA -0.050 4.652 4.740 -0.065 0.000 0.183 880 N C 1.156 176.654 175.510 -0.019 0.000 1.041 880 N CA 0.930 54.014 53.050 0.057 0.000 0.900 880 N CB -0.051 38.530 38.487 0.156 0.000 0.961 880 N HN 0.181 nan 8.380 nan 0.000 0.443 881 S N -1.160 114.497 115.700 -0.071 0.000 2.577 881 S HA 0.308 4.739 4.470 -0.065 0.000 0.219 881 S C 1.239 175.715 174.600 -0.207 0.000 0.962 881 S CA 0.368 58.490 58.200 -0.130 0.000 0.921 881 S CB 0.644 63.746 63.200 -0.163 0.000 0.789 881 S HN 0.550 nan 8.310 nan 0.000 0.497 882 G N 0.881 109.598 108.800 -0.139 0.000 2.184 882 G HA2 -0.198 3.723 3.960 -0.065 0.000 0.206 882 G HA3 -0.198 3.723 3.960 -0.065 0.000 0.206 882 G C 0.007 174.795 174.900 -0.186 0.000 0.995 882 G CA -0.738 44.255 45.100 -0.178 0.000 0.651 882 G HN 0.423 nan 8.290 nan 0.000 0.511 883 F N 1.366 121.336 119.950 0.034 0.000 2.450 883 F HA 0.522 5.010 4.527 -0.065 0.000 0.339 883 F C 0.703 176.533 175.800 0.050 0.000 1.146 883 F CA 0.054 58.087 58.000 0.055 0.000 1.267 883 F CB 0.829 39.881 39.000 0.087 0.000 1.178 883 F HN -0.016 nan 8.300 nan 0.000 0.585 884 D N 3.617 124.168 120.400 0.251 0.000 2.391 884 D HA 0.233 4.834 4.640 -0.065 0.000 0.245 884 D C -1.840 174.510 176.300 0.084 0.000 1.069 884 D CA -2.439 51.639 54.000 0.130 0.000 0.831 884 D CB 2.180 43.026 40.800 0.078 0.000 1.204 884 D HN 0.091 nan 8.370 nan 0.000 0.503 885 P HA -0.089 nan 4.420 nan 0.000 0.222 885 P C 0.767 177.976 177.300 -0.152 0.000 1.147 885 P CA 0.752 63.803 63.100 -0.082 0.000 0.790 885 P CB 0.592 32.150 31.700 -0.236 0.000 0.780 886 K N -0.493 119.829 120.400 -0.130 0.000 2.444 886 K HA 0.074 4.355 4.320 -0.065 0.000 0.193 886 K C 1.790 178.357 176.600 -0.055 0.000 1.024 886 K CA 0.437 56.650 56.287 -0.123 0.000 1.077 886 K CB 0.270 32.696 32.500 -0.123 0.000 0.833 886 K HN 0.116 nan 8.250 nan 0.000 0.517 887 K N -0.327 120.071 120.400 -0.003 0.000 2.403 887 K HA 0.026 4.307 4.320 -0.065 0.000 0.199 887 K C 0.462 177.118 176.600 0.092 0.000 1.199 887 K CA 0.041 56.364 56.287 0.059 0.000 0.924 887 K CB 0.632 33.184 32.500 0.085 0.000 1.137 887 K HN -0.159 nan 8.250 nan 0.000 0.510 888 Q N 1.354 121.206 119.800 0.087 0.000 2.241 888 Q HA 0.107 4.408 4.340 -0.065 0.000 0.254 888 Q C 0.331 176.304 176.000 -0.044 0.000 0.917 888 Q CA 0.114 55.974 55.803 0.095 0.000 0.919 888 Q CB 1.905 30.722 28.738 0.132 0.000 1.237 888 Q HN -0.107 nan 8.270 nan 0.000 0.434 889 K N 3.359 123.675 120.400 -0.140 0.000 2.116 889 K HA -0.101 4.180 4.320 -0.065 0.000 0.203 889 K C 1.284 177.790 176.600 -0.157 0.000 1.052 889 K CA 1.123 57.199 56.287 -0.351 0.000 0.952 889 K CB -0.388 31.491 32.500 -1.036 0.000 0.729 889 K HN 0.708 nan 8.250 nan 0.000 0.446 890 Y N 1.092 121.307 120.300 -0.143 0.000 2.114 890 Y HA -0.252 4.259 4.550 -0.065 0.000 0.282 890 Y C 1.597 177.319 175.900 -0.296 0.000 1.165 890 Y CA 1.780 59.730 58.100 -0.250 0.000 1.148 890 Y CB -0.168 37.790 38.460 -0.836 0.000 0.972 890 Y HN 0.000 nan 8.280 nan 0.000 0.504 891 L N 0.205 121.269 121.223 -0.266 0.000 2.012 891 L HA -0.318 3.983 4.340 -0.065 0.000 0.210 891 L C 2.512 179.311 176.870 -0.119 0.000 1.073 891 L CA 2.392 57.122 54.840 -0.184 0.000 0.748 891 L CB -1.338 40.664 42.059 -0.095 0.000 0.891 891 L HN 0.413 nan 8.230 nan 0.000 0.431 892 Q N 0.041 119.760 119.800 -0.135 0.000 2.030 892 Q HA -0.246 4.055 4.340 -0.065 0.000 0.204 892 Q C 1.809 177.756 176.000 -0.088 0.000 0.986 892 Q CA 2.083 57.805 55.803 -0.136 0.000 0.843 892 Q CB 0.077 28.690 28.738 -0.209 0.000 0.904 892 Q HN 0.429 nan 8.270 nan 0.000 0.420 893 D N 0.290 120.618 120.400 -0.120 0.000 2.104 893 D HA -0.180 4.421 4.640 -0.065 0.000 0.194 893 D C 1.932 178.262 176.300 0.050 0.000 0.994 893 D CA 1.411 55.400 54.000 -0.017 0.000 0.830 893 D CB -0.255 40.515 40.800 -0.049 0.000 0.959 893 D HN 0.392 nan 8.370 nan 0.000 0.452 894 I N 1.123 121.616 120.570 -0.129 0.000 2.315 894 I HA -0.217 3.914 4.170 -0.065 0.000 0.248 894 I C 2.473 178.634 176.117 0.075 0.000 1.117 894 I CA 0.944 62.186 61.300 -0.096 0.000 1.404 894 I CB -0.251 37.618 38.000 -0.218 0.000 1.071 894 I HN -0.094 nan 8.210 nan 0.000 0.419 895 A N 0.763 123.675 122.820 0.154 0.000 2.024 895 A HA -0.222 4.059 4.320 -0.065 0.000 0.220 895 A C 2.150 179.961 177.584 0.378 0.000 1.164 895 A CA 1.624 53.853 52.037 0.320 0.000 0.643 895 A CB -0.733 18.465 19.000 0.331 0.000 0.806 895 A HN 0.811 nan 8.150 nan 0.000 0.451 896 W N -0.267 121.083 121.300 0.084 0.000 2.915 896 W HA 0.108 4.729 4.660 -0.065 0.000 0.276 896 W C 0.503 177.046 176.519 0.041 0.000 1.215 896 W CA 0.780 58.182 57.345 0.095 0.000 1.514 896 W CB -0.297 29.208 29.460 0.075 0.000 1.017 896 W HN 0.253 nan 8.180 nan 0.000 0.598 897 D N 2.202 122.616 120.400 0.023 0.000 2.158 897 D HA -0.202 4.399 4.640 -0.065 0.000 0.197 897 D C 2.331 178.571 176.300 -0.100 0.000 0.995 897 D CA 1.816 55.748 54.000 -0.114 0.000 0.846 897 D CB -0.364 40.411 40.800 -0.041 0.000 0.941 897 D HN 0.232 nan 8.370 nan 0.000 0.456 898 L N 0.121 121.345 121.223 0.002 0.000 2.056 898 L HA -0.198 4.103 4.340 -0.065 0.000 0.207 898 L C 2.463 179.362 176.870 0.047 0.000 1.078 898 L CA 0.976 55.833 54.840 0.028 0.000 0.749 898 L CB -0.185 41.940 42.059 0.111 0.000 0.901 898 L HN 0.009 nan 8.230 nan 0.000 0.433 899 Q N 0.176 120.031 119.800 0.092 0.000 2.245 899 Q HA -0.169 4.132 4.340 -0.065 0.000 0.201 899 Q C 2.022 177.985 176.000 -0.062 0.000 0.955 899 Q CA 1.387 57.252 55.803 0.103 0.000 0.870 899 Q CB 0.086 28.994 28.738 0.284 0.000 0.945 899 Q HN 0.220 nan 8.270 nan 0.000 0.461 900 K N -0.294 119.964 120.400 -0.237 0.000 1.985 900 K HA -0.117 4.164 4.320 -0.065 0.000 0.210 900 K C 2.022 178.526 176.600 -0.160 0.000 1.047 900 K CA 1.338 57.442 56.287 -0.305 0.000 0.932 900 K CB -0.020 32.196 32.500 -0.474 0.000 0.716 900 K HN 0.072 nan 8.250 nan 0.000 0.439 901 R N 0.534 120.955 120.500 -0.132 0.000 2.117 901 R HA -0.179 4.122 4.340 -0.065 0.000 0.243 901 R C 2.379 178.643 176.300 -0.059 0.000 1.143 901 R CA 1.726 57.772 56.100 -0.090 0.000 0.968 901 R CB -0.192 30.056 30.300 -0.088 0.000 0.863 901 R HN 0.182 nan 8.270 nan 0.000 0.444 902 K N 0.291 120.666 120.400 -0.041 0.000 2.155 902 K HA -0.098 4.183 4.320 -0.065 0.000 0.203 902 K C 1.964 178.564 176.600 0.001 0.000 1.052 902 K CA 1.124 57.401 56.287 -0.017 0.000 0.948 902 K CB 0.054 32.555 32.500 0.002 0.000 0.728 902 K HN 0.217 nan 8.250 nan 0.000 0.448 903 C N 1.500 120.803 119.300 0.005 0.000 2.453 903 C HA -0.085 4.336 4.460 -0.065 0.000 0.277 903 C C 2.024 177.017 174.990 0.005 0.000 1.262 903 C CA 0.730 59.770 59.018 0.036 0.000 1.718 903 C CB -0.764 27.001 27.740 0.041 0.000 2.031 903 C HN 0.554 nan 8.230 nan 0.000 0.480 904 D N 0.552 120.936 120.400 -0.027 0.000 2.133 904 D HA -0.141 4.460 4.640 -0.065 0.000 0.192 904 D C 2.154 178.445 176.300 -0.016 0.000 1.001 904 D CA 1.858 55.841 54.000 -0.028 0.000 0.844 904 D CB -0.793 39.980 40.800 -0.044 0.000 0.944 904 D HN 0.403 nan 8.370 nan 0.000 0.447 905 T N 0.566 115.111 114.554 -0.015 0.000 2.821 905 T HA -0.104 4.208 4.350 -0.065 0.000 0.267 905 T C 1.867 176.564 174.700 -0.005 0.000 1.046 905 T CA 0.478 62.572 62.100 -0.011 0.000 1.139 905 T CB -0.265 68.595 68.868 -0.013 0.000 0.871 905 T HN 0.041 nan 8.240 nan 0.000 0.454 906 L N 1.868 123.094 121.223 0.005 0.000 2.093 906 L HA -0.016 4.285 4.340 -0.065 0.000 0.208 906 L C 2.325 179.190 176.870 -0.008 0.000 1.085 906 L CA 1.728 56.574 54.840 0.010 0.000 0.755 906 L CB -0.441 41.642 42.059 0.041 0.000 0.904 906 L HN 0.244 nan 8.230 nan 0.000 0.435 907 K N -1.816 118.578 120.400 -0.009 0.000 2.167 907 K HA 0.020 4.301 4.320 -0.065 0.000 0.203 907 K C 1.499 178.078 176.600 -0.034 0.000 1.052 907 K CA 1.308 57.578 56.287 -0.028 0.000 0.956 907 K CB -0.515 31.977 32.500 -0.013 0.000 0.735 907 K HN 0.238 nan 8.250 nan 0.000 0.451 908 S N 0.989 116.680 115.700 -0.016 0.000 2.653 908 S HA 0.069 4.500 4.470 -0.065 0.000 0.233 908 S C 0.426 175.016 174.600 -0.017 0.000 0.970 908 S CA 0.668 58.863 58.200 -0.008 0.000 0.947 908 S CB -0.104 63.095 63.200 -0.002 0.000 0.771 908 S HN 0.425 nan 8.310 nan 0.000 0.538 909 K N -1.142 119.233 120.400 -0.043 0.000 1.266 909 K HA 0.118 4.399 4.320 -0.065 0.000 0.084 909 K C -0.219 176.342 176.600 -0.065 0.000 2.319 909 K CA -0.077 56.181 56.287 -0.048 0.000 0.984 909 K CB -0.246 32.236 32.500 -0.029 0.000 2.557 909 K HN 0.039 nan 8.250 nan 0.000 0.330 910 L N 3.242 124.426 121.223 -0.066 0.000 3.742 910 L HA -0.223 4.079 4.340 -0.065 0.000 0.431 910 L C -0.642 176.201 176.870 -0.045 0.000 1.220 910 L CA 0.683 55.484 54.840 -0.065 0.000 0.863 910 L CB -1.358 40.646 42.059 -0.092 0.000 1.751 910 L HN 0.429 nan 8.230 nan 0.000 0.922 911 N N 0.764 119.448 118.700 -0.026 0.000 3.178 911 N HA 0.188 4.889 4.740 -0.065 0.000 0.300 911 N C 0.121 175.636 175.510 0.008 0.000 1.242 911 N CA -0.189 52.856 53.050 -0.007 0.000 1.192 911 N CB -0.208 38.282 38.487 0.005 0.000 1.463 911 N HN 0.450 nan 8.380 nan 0.000 0.539 912 I N 0.801 121.373 120.570 0.003 0.000 2.845 912 I HA -0.116 4.015 4.170 -0.065 0.000 0.290 912 I C 1.069 177.207 176.117 0.035 0.000 1.202 912 I CA 0.255 61.565 61.300 0.017 0.000 1.406 912 I CB 0.155 38.163 38.000 0.012 0.000 1.383 912 I HN 0.078 nan 8.210 nan 0.000 0.549 913 R N 5.161 125.681 120.500 0.035 0.000 2.489 913 R HA 0.270 4.571 4.340 -0.065 0.000 0.287 913 R C -0.790 175.527 176.300 0.029 0.000 1.053 913 R CA -0.162 55.960 56.100 0.037 0.000 1.036 913 R CB 0.683 31.000 30.300 0.028 0.000 0.966 913 R HN 0.399 nan 8.270 nan 0.000 0.432 914 V N 3.277 123.206 119.914 0.025 0.000 2.349 914 V HA 0.150 4.231 4.120 -0.065 0.000 0.284 914 V C 1.268 177.310 176.094 -0.086 0.000 1.014 914 V CA -0.320 61.965 62.300 -0.026 0.000 0.826 914 V CB 1.430 33.249 31.823 -0.006 0.000 1.009 914 V HN 1.109 nan 8.190 nan 0.000 0.431 915 G N 4.523 113.278 108.800 -0.074 0.000 2.469 915 G HA2 -0.182 3.739 3.960 -0.065 0.000 0.220 915 G HA3 -0.182 3.739 3.960 -0.065 0.000 0.220 915 G C 0.934 175.740 174.900 -0.157 0.000 1.136 915 G CA 0.342 45.412 45.100 -0.049 0.000 0.759 915 G HN 0.597 nan 8.290 nan 0.000 0.562 916 R N 0.868 121.079 120.500 -0.483 0.000 3.570 916 R HA 0.390 4.691 4.340 -0.065 0.000 0.233 916 R C -0.681 174.542 176.300 -1.795 0.000 1.492 916 R CA 0.128 55.419 56.100 -1.348 0.000 1.504 916 R CB 0.276 29.663 30.300 -1.521 0.000 1.314 916 R HN 0.340 nan 8.270 nan 0.000 0.687 917 S N -0.770 114.177 115.700 -1.256 0.000 2.537 917 S HA 0.843 5.274 4.470 -0.065 0.000 0.271 917 S C -1.158 173.199 174.600 -0.405 0.000 1.148 917 S CA -0.922 56.713 58.200 -0.942 0.000 0.868 917 S CB 2.339 65.160 63.200 -0.632 0.000 1.115 917 S HN 0.318 nan 8.310 nan 0.000 0.461 918 A N 1.040 123.675 122.820 -0.308 0.000 2.612 918 A HA 0.717 4.998 4.320 -0.065 0.000 0.293 918 A C -2.142 175.349 177.584 -0.155 0.000 1.075 918 A CA -0.807 51.217 52.037 -0.022 0.000 0.680 918 A CB 0.755 19.865 19.000 0.183 0.000 1.279 918 A HN 0.820 nan 8.150 nan 0.000 0.411 919 Y N 0.813 121.177 120.300 0.106 0.000 2.327 919 Y HA 0.621 5.132 4.550 -0.064 0.000 0.336 919 Y C 0.278 176.194 175.900 0.026 0.000 1.035 919 Y CA 0.297 58.444 58.100 0.080 0.000 1.165 919 Y CB 1.103 39.599 38.460 0.060 0.000 1.181 919 Y HN 0.445 nan 8.280 nan 0.000 0.494 920 I N 3.823 124.470 120.570 0.128 0.000 2.569 920 I HA 0.200 4.331 4.170 -0.065 0.000 0.290 920 I C -1.052 175.102 176.117 0.062 0.000 1.088 920 I CA -1.250 60.105 61.300 0.092 0.000 1.047 920 I CB 1.708 39.785 38.000 0.128 0.000 1.237 920 I HN 0.487 nan 8.210 nan 0.000 0.421 921 Y N 5.189 125.556 120.300 0.111 0.000 2.717 921 Y HA 0.064 4.575 4.550 -0.065 0.000 0.330 921 Y C 0.658 176.558 175.900 0.000 0.000 1.217 921 Y CA 0.295 58.436 58.100 0.068 0.000 1.506 921 Y CB 0.419 38.924 38.460 0.075 0.000 1.268 921 Y HN 0.398 nan 8.280 nan 0.000 0.561 922 M N 5.123 124.798 119.600 0.125 0.000 2.180 922 M HA 0.362 4.804 4.480 -0.065 0.000 0.358 922 M C -0.884 175.464 176.300 0.080 0.000 1.233 922 M CA -0.016 55.224 55.300 -0.100 0.000 1.114 922 M CB 0.752 33.193 32.600 -0.265 0.000 1.594 922 M HN 0.378 nan 8.290 nan 0.000 0.467 923 I N 1.626 122.140 120.570 -0.093 0.000 2.828 923 I HA 0.646 4.777 4.170 -0.065 0.000 0.302 923 I C -0.291 175.516 176.117 -0.517 0.000 1.101 923 I CA -0.929 60.269 61.300 -0.169 0.000 1.031 923 I CB 1.920 39.911 38.000 -0.015 0.000 1.231 923 I HN 0.725 nan 8.210 nan 0.000 0.427 924 A N 2.485 124.773 122.820 -0.887 0.000 2.303 924 A HA 0.411 4.692 4.320 -0.065 0.000 0.317 924 A C -0.341 176.829 177.584 -0.691 0.000 1.149 924 A CA -0.417 51.033 52.037 -0.980 0.000 0.822 924 A CB 0.433 18.603 19.000 -1.383 0.000 1.131 924 A HN 0.684 nan 8.150 nan 0.000 0.493 925 D N 1.753 121.887 120.400 -0.442 0.000 2.367 925 D HA 0.186 4.787 4.640 -0.065 0.000 0.255 925 D C 0.063 176.021 176.300 -0.571 0.000 1.300 925 D CA -0.002 53.854 54.000 -0.240 0.000 0.959 925 D CB -0.500 40.275 40.800 -0.043 0.000 1.064 925 D HN 0.352 nan 8.370 nan 0.000 0.509 926 F N 1.534 120.877 119.950 -1.011 0.000 2.699 926 F HA 0.046 4.534 4.527 -0.065 0.000 0.298 926 F C 1.416 176.689 175.800 -0.878 0.000 1.154 926 F CA 0.152 57.473 58.000 -1.132 0.000 1.457 926 F CB 0.067 38.131 39.000 -1.560 0.000 1.106 926 F HN 0.527 nan 8.300 nan 0.000 0.585 927 W N -0.532 120.798 121.300 0.051 0.000 3.127 927 W HA 0.410 5.031 4.660 -0.065 0.000 0.344 927 W C 1.310 177.816 176.519 -0.021 0.000 1.151 927 W CA 0.487 57.842 57.345 0.018 0.000 1.765 927 W CB -0.330 29.126 29.460 -0.006 0.000 1.085 927 W HN 0.089 nan 8.180 nan 0.000 0.596 928 G N 1.850 110.706 108.800 0.092 0.000 2.221 928 G HA2 -0.312 3.609 3.960 -0.065 0.000 0.265 928 G HA3 -0.312 3.609 3.960 -0.065 0.000 0.265 928 G C 0.530 175.460 174.900 0.049 0.000 1.041 928 G CA 0.634 45.757 45.100 0.037 0.000 0.807 928 G HN 0.325 nan 8.290 nan 0.000 0.502 929 V N -3.377 116.577 119.914 0.066 0.000 3.523 929 V HA 0.557 4.638 4.120 -0.065 0.000 0.255 929 V C 1.234 177.340 176.094 0.020 0.000 1.226 929 V CA 0.378 62.700 62.300 0.037 0.000 1.092 929 V CB 0.157 31.993 31.823 0.022 0.000 0.817 929 V HN 0.302 nan 8.190 nan 0.000 0.458 930 L N 2.280 123.517 121.223 0.023 0.000 2.276 930 L HA 0.488 4.789 4.340 -0.065 0.000 0.286 930 L C 0.486 177.359 176.870 0.004 0.000 1.061 930 L CA -0.259 54.592 54.840 0.018 0.000 0.807 930 L CB 1.052 43.131 42.059 0.033 0.000 1.177 930 L HN 0.193 nan 8.230 nan 0.000 0.429 931 E N 2.058 122.259 120.200 0.001 0.000 2.397 931 E HA -0.047 4.264 4.350 -0.065 0.000 0.254 931 E C 0.776 177.367 176.600 -0.015 0.000 1.231 931 E CA -0.123 56.273 56.400 -0.007 0.000 0.954 931 E CB 0.654 30.351 29.700 -0.005 0.000 1.024 931 E HN 0.570 nan 8.360 nan 0.000 0.481 932 E N 0.759 120.947 120.200 -0.020 0.000 2.130 932 E HA -0.204 4.107 4.350 -0.065 0.000 0.196 932 E C 0.221 176.792 176.600 -0.048 0.000 0.998 932 E CA 1.096 57.478 56.400 -0.030 0.000 0.806 932 E CB 0.183 29.867 29.700 -0.026 0.000 0.738 932 E HN 0.270 nan 8.360 nan 0.000 0.459 933 N N 1.092 119.765 118.700 -0.045 0.000 2.389 933 N HA 0.101 4.802 4.740 -0.065 0.000 0.260 933 N C -1.094 174.377 175.510 -0.064 0.000 1.191 933 N CA 0.125 53.135 53.050 -0.066 0.000 0.885 933 N CB 0.866 39.325 38.487 -0.047 0.000 1.162 933 N HN 0.210 nan 8.380 nan 0.000 0.512 934 E N 0.736 120.907 120.200 -0.048 0.000 2.179 934 E HA 0.425 4.737 4.350 -0.065 0.000 0.275 934 E C -0.263 176.331 176.600 -0.009 0.000 0.945 934 E CA -0.855 55.529 56.400 -0.026 0.000 0.792 934 E CB 2.583 32.282 29.700 -0.002 0.000 1.125 934 E HN -0.023 nan 8.360 nan 0.000 0.397 935 V N -0.025 119.892 119.914 0.006 0.000 2.914 935 V HA 0.540 4.622 4.120 -0.065 0.000 0.314 935 V C -1.054 175.087 176.094 0.078 0.000 1.084 935 V CA -0.891 61.460 62.300 0.085 0.000 0.963 935 V CB 1.742 33.624 31.823 0.098 0.000 1.025 935 V HN 0.808 nan 8.190 nan 0.000 0.432 936 H N 1.873 120.945 119.070 0.002 0.000 2.505 936 H HA 0.823 5.340 4.556 -0.065 0.000 0.338 936 H C -1.467 173.801 175.328 -0.101 0.000 1.057 936 H CA -0.570 55.425 56.048 -0.088 0.000 1.202 936 H CB 1.924 31.591 29.762 -0.158 0.000 1.466 936 H HN 0.721 nan 8.280 nan 0.000 0.499 937 V N 5.335 124.985 119.914 -0.441 0.000 2.419 937 V HA 0.512 4.593 4.120 -0.065 0.000 0.287 937 V C 0.245 175.977 176.094 -0.602 0.000 1.017 937 V CA -0.266 61.781 62.300 -0.423 0.000 0.844 937 V CB 1.449 32.963 31.823 -0.516 0.000 1.011 937 V HN 0.988 nan 8.190 nan 0.000 0.429 938 G N 3.369 111.953 108.800 -0.360 0.000 2.482 938 G HA2 0.760 4.681 3.960 -0.065 0.000 0.317 938 G HA3 0.760 4.681 3.960 -0.065 0.000 0.317 938 G C -1.322 173.422 174.900 -0.260 0.000 1.241 938 G CA -0.430 44.516 45.100 -0.257 0.000 0.967 938 G HN 0.291 nan 8.290 nan 0.000 0.482 939 F N 0.336 120.317 119.950 0.052 0.000 2.440 939 F HA 0.395 4.883 4.527 -0.065 0.000 0.328 939 F C 1.712 177.569 175.800 0.095 0.000 1.070 939 F CA -1.014 57.030 58.000 0.072 0.000 1.011 939 F CB 2.141 41.193 39.000 0.087 0.000 1.226 939 F HN 0.477 nan 8.300 nan 0.000 0.491 940 S N -0.970 114.913 115.700 0.305 0.000 2.527 940 S HA 0.162 4.593 4.470 -0.065 0.000 0.222 940 S C 0.345 175.045 174.600 0.166 0.000 0.985 940 S CA 0.545 58.860 58.200 0.192 0.000 0.921 940 S CB -0.553 62.738 63.200 0.152 0.000 0.772 940 S HN 0.662 nan 8.310 nan 0.000 0.529 941 S N -0.024 115.796 115.700 0.200 0.000 2.672 941 S HA 0.460 4.891 4.470 -0.065 0.000 0.271 941 S C -1.127 173.579 174.600 0.177 0.000 1.171 941 S CA -1.160 57.128 58.200 0.146 0.000 0.817 941 S CB 1.059 64.316 63.200 0.095 0.000 1.150 941 S HN 0.268 nan 8.310 nan 0.000 0.478 942 K N 0.644 121.118 120.400 0.124 0.000 2.419 942 K HA 0.142 4.423 4.320 -0.065 0.000 0.282 942 K C -1.356 175.322 176.600 0.130 0.000 1.056 942 K CA -0.239 56.130 56.287 0.137 0.000 1.035 942 K CB -0.183 32.361 32.500 0.074 0.000 0.921 942 K HN 0.567 nan 8.250 nan 0.000 0.472 943 F N 5.989 125.963 119.950 0.039 0.000 2.413 943 F HA 0.223 4.711 4.527 -0.065 0.000 0.359 943 F C -0.063 175.833 175.800 0.160 0.000 1.122 943 F CA -0.518 57.469 58.000 -0.022 0.000 1.160 943 F CB 0.502 39.303 39.000 -0.332 0.000 1.146 943 F HN 0.445 nan 8.300 nan 0.000 0.514 944 R N 3.626 124.078 120.500 -0.079 0.000 2.404 944 R HA 0.316 4.617 4.340 -0.065 0.000 0.291 944 R C -1.252 175.104 176.300 0.092 0.000 1.025 944 R CA -0.853 55.278 56.100 0.052 0.000 0.991 944 R CB 1.043 31.321 30.300 -0.036 0.000 1.053 944 R HN 0.501 nan 8.270 nan 0.000 0.479 945 D N 2.174 122.707 120.400 0.222 0.000 2.363 945 D HA 0.109 4.710 4.640 -0.065 0.000 0.258 945 D C 0.175 176.550 176.300 0.125 0.000 1.259 945 D CA -0.310 53.818 54.000 0.212 0.000 0.921 945 D CB 0.335 41.380 40.800 0.409 0.000 1.201 945 D HN 0.750 nan 8.370 nan 0.000 0.524 946 E N 1.570 121.808 120.200 0.063 0.000 3.418 946 E HA -0.367 3.944 4.350 -0.065 0.000 0.455 946 E C 0.523 177.147 176.600 0.041 0.000 1.600 946 E CA 2.466 58.893 56.400 0.046 0.000 1.186 946 E CB -0.480 29.249 29.700 0.048 0.000 1.319 946 E HN 0.687 nan 8.360 nan 0.000 0.429 947 E N 1.545 121.771 120.200 0.043 0.000 2.502 947 E HA 0.081 4.392 4.350 -0.065 0.000 0.194 947 E C 0.560 177.161 176.600 0.002 0.000 1.062 947 E CA 0.522 56.935 56.400 0.022 0.000 0.867 947 E CB 0.379 30.092 29.700 0.020 0.000 0.888 947 E HN 0.310 nan 8.360 nan 0.000 0.510 948 E N 0.340 120.545 120.200 0.008 0.000 2.390 948 E HA 0.390 4.701 4.350 -0.065 0.000 0.277 948 E C -1.700 174.819 176.600 -0.135 0.000 0.939 948 E CA -0.555 55.791 56.400 -0.090 0.000 0.769 948 E CB 2.475 32.126 29.700 -0.081 0.000 1.251 948 E HN -0.042 nan 8.360 nan 0.000 0.450 949 S N 1.587 117.064 115.700 -0.372 0.000 2.569 949 S HA 0.766 5.197 4.470 -0.065 0.000 0.280 949 S C -1.803 172.480 174.600 -0.529 0.000 1.111 949 S CA -0.522 57.543 58.200 -0.227 0.000 0.887 949 S CB 0.604 63.756 63.200 -0.079 0.000 1.095 949 S HN 0.374 nan 8.310 nan 0.000 0.476 950 F N 0.853 120.937 119.950 0.225 0.000 2.561 950 F HA 0.353 4.841 4.527 -0.065 0.000 0.313 950 F C 1.244 177.212 175.800 0.279 0.000 1.126 950 F CA -0.780 57.349 58.000 0.216 0.000 0.918 950 F CB 2.200 41.362 39.000 0.270 0.000 1.199 950 F HN 0.615 nan 8.300 nan 0.000 0.444 951 T N 0.198 114.935 114.554 0.305 0.000 3.023 951 T HA 0.455 4.766 4.350 -0.065 0.000 0.253 951 T C 0.036 174.793 174.700 0.094 0.000 1.038 951 T CA 0.081 62.342 62.100 0.268 0.000 0.962 951 T CB -0.038 68.879 68.868 0.081 0.000 1.018 951 T HN 0.546 nan 8.240 nan 0.000 0.521 952 L N -1.961 119.219 121.223 -0.072 0.000 3.079 952 L HA 0.701 5.002 4.340 -0.065 0.000 0.278 952 L C -2.601 174.002 176.870 -0.445 0.000 1.026 952 L CA -1.370 53.172 54.840 -0.497 0.000 0.963 952 L CB 1.056 42.768 42.059 -0.578 0.000 1.526 952 L HN -0.116 nan 8.230 nan 0.000 0.397 953 L N 1.278 122.182 121.223 -0.531 0.000 2.362 953 L HA 0.848 5.149 4.340 -0.065 0.000 0.275 953 L C -0.115 176.613 176.870 -0.237 0.000 0.998 953 L CA 0.071 54.647 54.840 -0.439 0.000 0.820 953 L CB 1.534 43.210 42.059 -0.639 0.000 1.270 953 L HN 0.836 nan 8.230 nan 0.000 0.415 954 S N 1.497 117.111 115.700 -0.144 0.000 2.535 954 S HA 0.454 4.886 4.470 -0.065 0.000 0.272 954 S C -1.209 173.373 174.600 -0.030 0.000 1.149 954 S CA -0.599 57.564 58.200 -0.061 0.000 0.888 954 S CB 0.809 63.983 63.200 -0.043 0.000 1.110 954 S HN 0.686 nan 8.310 nan 0.000 0.463 955 D N 0.984 121.377 120.400 -0.011 0.000 2.697 955 D HA -0.145 4.456 4.640 -0.065 0.000 0.235 955 D C -0.171 176.133 176.300 0.006 0.000 1.167 955 D CA 1.744 55.745 54.000 0.001 0.000 0.656 955 D CB -1.494 39.312 40.800 0.009 0.000 1.025 955 D HN 0.851 nan 8.370 nan 0.000 0.419 956 C N -2.019 117.278 119.300 -0.005 0.000 3.173 956 C HA 0.734 5.155 4.460 -0.065 0.000 0.310 956 C C -0.320 174.669 174.990 -0.002 0.000 1.306 956 C CA -1.266 57.758 59.018 0.010 0.000 1.426 956 C CB 2.009 29.767 27.740 0.030 0.000 1.800 956 C HN 0.072 nan 8.230 nan 0.000 0.470 957 D N 0.945 121.350 120.400 0.009 0.000 2.304 957 D HA 0.553 5.154 4.640 -0.065 0.000 0.247 957 D C 0.227 176.522 176.300 -0.008 0.000 1.089 957 D CA 0.182 54.181 54.000 -0.001 0.000 0.910 957 D CB 1.725 42.534 40.800 0.014 0.000 1.199 957 D HN 1.017 nan 8.370 nan 0.000 0.426 958 V N -0.853 119.038 119.914 -0.037 0.000 2.962 958 V HA 0.598 4.679 4.120 -0.065 0.000 0.313 958 V C -0.992 175.032 176.094 -0.116 0.000 1.099 958 V CA -1.064 61.202 62.300 -0.058 0.000 0.971 958 V CB 1.789 33.581 31.823 -0.051 0.000 1.028 958 V HN 0.203 nan 8.190 nan 0.000 0.430 959 L N 3.805 124.920 121.223 -0.179 0.000 2.289 959 L HA 0.759 5.060 4.340 -0.065 0.000 0.285 959 L C 0.068 176.840 176.870 -0.164 0.000 1.049 959 L CA -0.046 54.657 54.840 -0.230 0.000 0.804 959 L CB 1.569 43.485 42.059 -0.239 0.000 1.195 959 L HN 0.884 nan 8.230 nan 0.000 0.428 960 V N 0.932 120.798 119.914 -0.080 0.000 2.628 960 V HA 1.056 5.137 4.120 -0.065 0.000 0.306 960 V C -0.335 175.845 176.094 0.144 0.000 1.045 960 V CA -0.673 61.654 62.300 0.045 0.000 0.905 960 V CB 1.271 33.128 31.823 0.057 0.000 0.997 960 V HN 0.932 nan 8.190 nan 0.000 0.436 961 A N 4.169 127.149 122.820 0.267 0.000 2.606 961 A HA 0.878 5.159 4.320 -0.065 0.000 0.293 961 A C -0.715 177.018 177.584 0.248 0.000 1.082 961 A CA -1.056 51.124 52.037 0.237 0.000 0.685 961 A CB 1.977 21.109 19.000 0.220 0.000 1.284 961 A HN 0.853 nan 8.150 nan 0.000 0.408 962 R N 0.831 121.443 120.500 0.187 0.000 2.460 962 R HA 0.576 4.877 4.340 -0.065 0.000 0.303 962 R C -0.644 175.731 176.300 0.126 0.000 0.968 962 R CA -0.465 55.747 56.100 0.186 0.000 0.889 962 R CB 1.963 32.349 30.300 0.143 0.000 1.123 962 R HN 0.707 nan 8.270 nan 0.000 0.455 963 S N 4.187 119.976 115.700 0.148 0.000 2.528 963 S HA 0.244 4.675 4.470 -0.065 0.000 0.277 963 S C -1.790 172.818 174.600 0.013 0.000 1.297 963 S CA -0.925 57.300 58.200 0.040 0.000 1.052 963 S CB 0.773 64.001 63.200 0.047 0.000 0.917 963 S HN 0.419 nan 8.310 nan 0.000 0.492 964 P HA 0.521 nan 4.420 nan 0.000 0.287 964 P C -1.466 175.681 177.300 -0.255 0.000 1.270 964 P CA -0.779 62.205 63.100 -0.193 0.000 0.844 964 P CB 1.007 32.536 31.700 -0.285 0.000 1.068 965 A N 2.125 124.774 122.820 -0.285 0.000 2.289 965 A HA 0.428 4.709 4.320 -0.065 0.000 0.298 965 A C 0.337 177.724 177.584 -0.330 0.000 1.208 965 A CA -0.298 51.632 52.037 -0.179 0.000 0.845 965 A CB -0.015 18.932 19.000 -0.089 0.000 1.125 965 A HN 0.694 nan 8.150 nan 0.000 0.517 966 H N 2.071 121.133 119.070 -0.013 0.000 2.274 966 H HA 0.209 4.726 4.556 -0.065 0.000 0.271 966 H C -0.245 175.003 175.328 -0.134 0.000 0.945 966 H CA 0.265 56.233 56.048 -0.134 0.000 1.200 966 H CB -0.192 29.388 29.762 -0.303 0.000 1.456 966 H HN 0.663 nan 8.280 nan 0.000 0.536 967 F N 2.207 122.266 119.950 0.182 0.000 2.506 967 F HA 0.073 4.561 4.527 -0.065 0.000 0.351 967 F C -1.094 174.763 175.800 0.095 0.000 1.136 967 F CA -1.593 56.478 58.000 0.117 0.000 1.298 967 F CB 0.381 39.440 39.000 0.098 0.000 1.145 967 F HN 0.030 nan 8.300 nan 0.000 0.593 968 P HA -0.211 nan 4.420 nan 0.000 0.216 968 P C 1.246 178.660 177.300 0.191 0.000 1.150 968 P CA 1.968 65.173 63.100 0.175 0.000 0.843 968 P CB -0.060 31.708 31.700 0.114 0.000 0.787 969 S N -2.093 113.726 115.700 0.198 0.000 2.607 969 S HA -0.054 4.377 4.470 -0.065 0.000 0.224 969 S C 1.364 176.079 174.600 0.192 0.000 0.969 969 S CA 0.588 58.887 58.200 0.164 0.000 0.927 969 S CB -0.908 62.336 63.200 0.074 0.000 0.772 969 S HN 0.058 nan 8.310 nan 0.000 0.533 970 D N 1.480 122.023 120.400 0.238 0.000 2.371 970 D HA 0.207 4.808 4.640 -0.065 0.000 0.221 970 D C 0.221 176.618 176.300 0.161 0.000 0.986 970 D CA 0.497 54.620 54.000 0.205 0.000 0.899 970 D CB 0.011 40.937 40.800 0.209 0.000 0.902 970 D HN 0.511 nan 8.370 nan 0.000 0.530 971 I N 0.941 121.630 120.570 0.197 0.000 2.433 971 I HA 0.213 4.344 4.170 -0.065 0.000 0.292 971 I C -0.133 176.074 176.117 0.151 0.000 1.001 971 I CA -0.755 60.630 61.300 0.140 0.000 1.119 971 I CB 1.767 39.832 38.000 0.108 0.000 1.289 971 I HN -0.374 nan 8.210 nan 0.000 0.438 972 Q N 5.273 125.070 119.800 -0.006 0.000 2.356 972 Q HA 0.458 4.759 4.340 -0.065 0.000 0.270 972 Q C -0.939 174.984 176.000 -0.128 0.000 1.058 972 Q CA -0.802 55.011 55.803 0.016 0.000 0.802 972 Q CB 3.398 32.136 28.738 -0.001 0.000 1.303 972 Q HN 0.570 nan 8.270 nan 0.000 0.444 973 R N 1.539 122.020 120.500 -0.032 0.000 2.265 973 R HA 0.608 4.909 4.340 -0.065 0.000 0.319 973 R C -0.427 175.860 176.300 -0.021 0.000 1.006 973 R CA -0.264 55.804 56.100 -0.054 0.000 0.880 973 R CB 0.664 31.021 30.300 0.095 0.000 1.077 973 R HN 0.491 nan 8.270 nan 0.000 0.454 974 V N 1.010 120.888 119.914 -0.059 0.000 3.165 974 V HA 0.658 4.739 4.120 -0.065 0.000 0.309 974 V C -1.241 174.823 176.094 -0.051 0.000 1.267 974 V CA -1.347 60.913 62.300 -0.066 0.000 1.067 974 V CB 1.747 33.493 31.823 -0.129 0.000 1.082 974 V HN 0.702 nan 8.190 nan 0.000 0.451 975 R N 1.309 121.781 120.500 -0.047 0.000 2.295 975 R HA 0.783 5.084 4.340 -0.065 0.000 0.324 975 R C -0.116 176.159 176.300 -0.041 0.000 0.968 975 R CA 0.261 56.342 56.100 -0.033 0.000 0.837 975 R CB 0.869 31.158 30.300 -0.019 0.000 1.133 975 R HN 1.347 nan 8.270 nan 0.000 0.450 976 A N 4.252 127.041 122.820 -0.052 0.000 2.395 976 A HA 0.436 4.717 4.320 -0.065 0.000 0.286 976 A C -0.760 176.793 177.584 -0.051 0.000 1.193 976 A CA -0.344 51.647 52.037 -0.076 0.000 0.852 976 A CB 0.334 19.256 19.000 -0.131 0.000 1.118 976 A HN 0.488 nan 8.150 nan 0.000 0.524 977 V N 4.036 123.930 119.914 -0.033 0.000 2.447 977 V HA 0.251 4.332 4.120 -0.065 0.000 0.292 977 V C -0.673 175.438 176.094 0.028 0.000 1.021 977 V CA -0.408 61.898 62.300 0.010 0.000 0.850 977 V CB 1.141 32.976 31.823 0.020 0.000 1.005 977 V HN 0.801 nan 8.190 nan 0.000 0.426 978 F N 6.213 126.100 119.950 -0.106 0.000 2.445 978 F HA 0.452 4.940 4.527 -0.065 0.000 0.359 978 F C 0.605 176.469 175.800 0.106 0.000 1.101 978 F CA -0.154 57.768 58.000 -0.130 0.000 1.177 978 F CB 0.586 39.473 39.000 -0.188 0.000 1.110 978 F HN 0.303 nan 8.300 nan 0.000 0.522 979 K N 8.443 128.781 120.400 -0.103 0.000 2.263 979 K HA 0.253 4.535 4.320 -0.065 0.000 0.272 979 K C -2.059 174.372 176.600 -0.282 0.000 1.033 979 K CA -1.843 54.369 56.287 -0.125 0.000 0.884 979 K CB 1.313 33.733 32.500 -0.134 0.000 1.107 979 K HN 0.318 nan 8.250 nan 0.000 0.460 980 P HA -0.186 nan 4.420 nan 0.000 0.217 980 P C 0.507 177.843 177.300 0.059 0.000 1.148 980 P CA 1.320 64.478 63.100 0.096 0.000 0.828 980 P CB 0.412 32.177 31.700 0.109 0.000 0.783 981 E N -0.554 119.600 120.200 -0.076 0.000 2.160 981 E HA -0.132 4.179 4.350 -0.065 0.000 0.195 981 E C 1.417 177.785 176.600 -0.387 0.000 0.991 981 E CA 0.975 57.275 56.400 -0.166 0.000 0.810 981 E CB -0.837 28.765 29.700 -0.163 0.000 0.742 981 E HN 0.313 nan 8.360 nan 0.000 0.466 982 L N 1.249 122.148 121.223 -0.540 0.000 2.700 982 L HA 0.155 4.457 4.340 -0.065 0.000 0.234 982 L C 1.889 178.377 176.870 -0.637 0.000 1.156 982 L CA -0.146 54.216 54.840 -0.796 0.000 0.946 982 L CB -0.559 40.800 42.059 -1.166 0.000 1.216 982 L HN 0.316 nan 8.230 nan 0.000 0.493 983 H N 0.144 119.019 119.070 -0.325 0.000 2.431 983 H HA -0.175 4.343 4.556 -0.065 0.000 0.297 983 H C 1.851 177.203 175.328 0.039 0.000 1.115 983 H CA 1.738 57.786 56.048 0.002 0.000 1.277 983 H CB -0.180 29.671 29.762 0.148 0.000 1.372 983 H HN 0.461 nan 8.280 nan 0.000 0.516 984 S N 0.866 116.206 115.700 -0.599 0.000 2.527 984 S HA 0.136 4.567 4.470 -0.065 0.000 0.222 984 S C 1.057 175.557 174.600 -0.167 0.000 0.985 984 S CA -0.308 57.685 58.200 -0.345 0.000 0.921 984 S CB -0.265 62.646 63.200 -0.481 0.000 0.772 984 S HN 0.272 nan 8.310 nan 0.000 0.529 985 L N 2.228 123.341 121.223 -0.182 0.000 2.261 985 L HA 0.468 4.769 4.340 -0.065 0.000 0.289 985 L C -0.067 176.819 176.870 0.027 0.000 1.059 985 L CA -0.196 54.586 54.840 -0.097 0.000 0.816 985 L CB 0.705 42.666 42.059 -0.164 0.000 1.191 985 L HN 0.078 nan 8.230 nan 0.000 0.431 986 K N 2.629 123.065 120.400 0.060 0.000 2.318 986 K HA 0.360 4.641 4.320 -0.065 0.000 0.249 986 K C -0.706 175.983 176.600 0.148 0.000 0.942 986 K CA -0.940 55.416 56.287 0.115 0.000 0.808 986 K CB 1.908 34.484 32.500 0.127 0.000 1.189 986 K HN 0.409 nan 8.250 nan 0.000 0.428 987 D N -0.033 120.491 120.400 0.207 0.000 2.870 987 D HA -0.140 4.461 4.640 -0.065 0.000 0.228 987 D C -0.548 175.893 176.300 0.235 0.000 1.147 987 D CA 1.204 55.361 54.000 0.262 0.000 0.757 987 D CB -1.455 39.490 40.800 0.242 0.000 1.091 987 D HN 0.322 nan 8.370 nan 0.000 0.429 988 V N -2.863 117.159 119.914 0.179 0.000 3.130 988 V HA 0.776 4.857 4.120 -0.065 0.000 0.310 988 V C -0.222 175.937 176.094 0.109 0.000 1.158 988 V CA -1.236 61.165 62.300 0.167 0.000 1.029 988 V CB 3.262 35.166 31.823 0.136 0.000 1.057 988 V HN 0.093 nan 8.190 nan 0.000 0.436 989 I N 2.677 123.293 120.570 0.076 0.000 2.436 989 I HA 0.585 4.716 4.170 -0.065 0.000 0.289 989 I C -1.195 174.927 176.117 0.009 0.000 1.010 989 I CA -0.921 60.415 61.300 0.061 0.000 1.098 989 I CB 1.455 39.513 38.000 0.097 0.000 1.266 989 I HN 0.603 nan 8.210 nan 0.000 0.434 990 I N 7.721 128.362 120.570 0.118 0.000 2.331 990 I HA 0.350 4.481 4.170 -0.065 0.000 0.292 990 I C -0.500 175.812 176.117 0.325 0.000 0.998 990 I CA -0.289 61.076 61.300 0.108 0.000 1.267 990 I CB 0.736 38.801 38.000 0.109 0.000 1.386 990 I HN 0.340 nan 8.210 nan 0.000 0.476 991 F N 2.600 122.547 119.950 -0.006 0.000 2.470 991 F HA 0.351 4.839 4.527 -0.065 0.000 0.329 991 F C 1.104 176.861 175.800 -0.072 0.000 1.072 991 F CA -1.467 56.538 58.000 0.008 0.000 0.989 991 F CB 1.504 40.579 39.000 0.125 0.000 1.193 991 F HN 0.391 nan 8.300 nan 0.000 0.481 992 S N 0.234 116.011 115.700 0.128 0.000 2.568 992 S HA 0.136 4.567 4.470 -0.065 0.000 0.282 992 S C 0.830 175.408 174.600 -0.036 0.000 1.338 992 S CA -0.083 58.127 58.200 0.016 0.000 1.045 992 S CB 0.250 63.447 63.200 -0.005 0.000 0.873 992 S HN 0.745 nan 8.310 nan 0.000 0.516 993 T N 1.725 116.214 114.554 -0.108 0.000 3.223 993 T HA 0.359 4.670 4.350 -0.065 0.000 0.259 993 T C 0.190 174.835 174.700 -0.092 0.000 1.015 993 T CA -0.330 61.682 62.100 -0.147 0.000 0.908 993 T CB -0.225 68.478 68.868 -0.274 0.000 1.054 993 T HN 0.474 nan 8.240 nan 0.000 0.567 994 K N 0.666 121.033 120.400 -0.057 0.000 2.211 994 K HA 0.690 4.971 4.320 -0.065 0.000 0.237 994 K C 0.566 177.147 176.600 -0.030 0.000 1.002 994 K CA -0.469 55.793 56.287 -0.041 0.000 0.885 994 K CB 1.446 33.927 32.500 -0.032 0.000 1.136 994 K HN 0.344 nan 8.250 nan 0.000 0.448 995 G N 0.861 109.646 108.800 -0.026 0.000 2.631 995 G HA2 -0.188 3.733 3.960 -0.065 0.000 0.504 995 G HA3 -0.188 3.733 3.960 -0.065 0.000 0.504 995 G C -0.335 174.554 174.900 -0.018 0.000 1.306 995 G CA -0.329 44.759 45.100 -0.021 0.000 0.897 995 G HN 0.621 nan 8.290 nan 0.000 0.520 996 D N -1.088 119.303 120.400 -0.015 0.000 2.183 996 D HA 0.209 4.810 4.640 -0.065 0.000 0.205 996 D C 1.184 177.478 176.300 -0.010 0.000 0.962 996 D CA 1.799 55.791 54.000 -0.013 0.000 0.849 996 D CB 0.313 41.106 40.800 -0.012 0.000 0.978 996 D HN 0.515 nan 8.370 nan 0.000 0.488 997 V N 2.502 122.412 119.914 -0.007 0.000 2.623 997 V HA 0.264 4.345 4.120 -0.065 0.000 0.304 997 V C -2.410 173.694 176.094 0.016 0.000 1.054 997 V CA -1.695 60.605 62.300 0.001 0.000 0.882 997 V CB 2.472 34.292 31.823 -0.005 0.000 1.002 997 V HN -0.088 nan 8.190 nan 0.000 0.424 998 P HA 0.095 nan 4.420 nan 0.000 0.266 998 P C 1.080 178.436 177.300 0.093 0.000 1.195 998 P CA 0.009 63.169 63.100 0.099 0.000 0.768 998 P CB 1.421 33.213 31.700 0.152 0.000 0.838 999 L N 2.892 124.181 121.223 0.110 0.000 2.043 999 L HA -0.278 4.023 4.340 -0.065 0.000 0.212 999 L C 2.350 179.296 176.870 0.127 0.000 1.075 999 L CA 2.220 57.066 54.840 0.010 0.000 0.752 999 L CB -0.803 41.062 42.059 -0.323 0.000 0.891 999 L HN 0.443 nan 8.230 nan 0.000 0.432 1000 A N -0.216 122.777 122.820 0.288 0.000 1.917 1000 A HA -0.317 3.964 4.320 -0.065 0.000 0.219 1000 A C 2.365 179.953 177.584 0.007 0.000 1.182 1000 A CA 2.274 54.356 52.037 0.075 0.000 0.633 1000 A CB -0.558 18.136 19.000 -0.509 0.000 0.819 1000 A HN 0.462 nan 8.150 nan 0.000 0.448 1001 K N -0.200 120.204 120.400 0.006 0.000 2.217 1001 K HA -0.079 4.202 4.320 -0.065 0.000 0.202 1001 K C 1.712 178.327 176.600 0.025 0.000 1.051 1001 K CA 1.202 57.492 56.287 0.005 0.000 0.952 1001 K CB -0.110 32.393 32.500 0.004 0.000 0.736 1001 K HN 0.500 nan 8.250 nan 0.000 0.453 1002 K N 0.437 120.855 120.400 0.029 0.000 2.283 1002 K HA -0.017 4.264 4.320 -0.065 0.000 0.202 1002 K C 0.513 177.156 176.600 0.070 0.000 1.048 1002 K CA 0.512 56.818 56.287 0.030 0.000 0.948 1002 K CB 0.077 32.586 32.500 0.015 0.000 0.742 1002 K HN 0.174 nan 8.250 nan 0.000 0.458 1003 L N 1.937 123.213 121.223 0.088 0.000 2.466 1003 L HA 0.110 4.411 4.340 -0.065 0.000 0.248 1003 L C 0.148 177.092 176.870 0.124 0.000 1.240 1003 L CA -0.369 54.543 54.840 0.120 0.000 1.180 1003 L CB 0.159 42.309 42.059 0.152 0.000 1.413 1003 L HN 0.118 nan 8.230 nan 0.000 0.406 1004 S N 2.126 117.921 115.700 0.158 0.000 3.749 1004 S HA -0.176 4.255 4.470 -0.065 0.000 0.348 1004 S C 1.190 175.879 174.600 0.148 0.000 1.045 1004 S CA 0.701 59.019 58.200 0.196 0.000 1.051 1004 S CB -1.070 62.230 63.200 0.167 0.000 0.898 1004 S HN 1.210 nan 8.310 nan 0.000 0.472 1005 G N -0.440 108.425 108.800 0.108 0.000 2.341 1005 G HA2 -0.142 3.779 3.960 -0.065 0.000 0.292 1005 G HA3 -0.142 3.779 3.960 -0.065 0.000 0.292 1005 G C 0.852 175.775 174.900 0.037 0.000 1.021 1005 G CA 0.669 45.809 45.100 0.066 0.000 0.905 1005 G HN 1.588 nan 8.290 nan 0.000 0.508 1006 G N -0.528 108.284 108.800 0.020 0.000 2.553 1006 G HA2 0.694 4.615 3.960 -0.065 0.000 0.278 1006 G HA3 0.694 4.615 3.960 -0.065 0.000 0.278 1006 G C 0.089 174.907 174.900 -0.137 0.000 1.349 1006 G CA 0.610 45.691 45.100 -0.032 0.000 1.037 1006 G HN 1.051 nan 8.290 nan 0.000 0.508 1007 D N -3.646 116.605 120.400 -0.248 0.000 3.182 1007 D HA 0.118 4.719 4.640 -0.065 0.000 0.352 1007 D C -1.224 174.735 176.300 -0.569 0.000 1.421 1007 D CA -0.678 53.051 54.000 -0.452 0.000 0.912 1007 D CB 0.152 40.847 40.800 -0.175 0.000 1.461 1007 D HN 0.365 nan 8.370 nan 0.000 0.548 1008 Y N -0.101 120.170 120.300 -0.049 0.000 2.736 1008 Y HA 0.244 4.755 4.550 -0.065 0.000 0.293 1008 Y C 0.430 176.284 175.900 -0.076 0.000 1.062 1008 Y CA -0.541 57.511 58.100 -0.080 0.000 1.247 1008 Y CB 0.394 38.769 38.460 -0.141 0.000 1.200 1008 Y HN 0.297 nan 8.280 nan 0.000 0.552 1009 D N -1.143 119.276 120.400 0.033 0.000 2.424 1009 D HA 0.270 4.871 4.640 -0.065 0.000 0.220 1009 D C 1.499 177.833 176.300 0.057 0.000 1.150 1009 D CA 0.370 54.378 54.000 0.013 0.000 0.831 1009 D CB 0.463 41.270 40.800 0.011 0.000 0.981 1009 D HN 0.402 nan 8.370 nan 0.000 0.500 1010 G N 0.081 108.950 108.800 0.115 0.000 2.425 1010 G HA2 -0.180 3.741 3.960 -0.065 0.000 0.177 1010 G HA3 -0.180 3.741 3.960 -0.065 0.000 0.177 1010 G C -0.472 174.592 174.900 0.275 0.000 0.999 1010 G CA -0.421 44.819 45.100 0.234 0.000 0.723 1010 G HN 0.284 nan 8.290 nan 0.000 0.491 1011 D N 1.262 121.751 120.400 0.147 0.000 2.472 1011 D HA 0.449 5.050 4.640 -0.065 0.000 0.237 1011 D C 0.867 177.240 176.300 0.120 0.000 1.141 1011 D CA 0.913 54.971 54.000 0.097 0.000 0.875 1011 D CB 0.506 41.315 40.800 0.016 0.000 1.192 1011 D HN 0.325 nan 8.370 nan 0.000 0.450 1012 M N 1.212 120.855 119.600 0.072 0.000 2.383 1012 M HA 0.550 4.991 4.480 -0.065 0.000 0.325 1012 M C -0.320 176.097 176.300 0.194 0.000 1.092 1012 M CA -0.980 54.358 55.300 0.064 0.000 0.961 1012 M CB 2.177 34.754 32.600 -0.038 0.000 1.672 1012 M HN 0.329 nan 8.290 nan 0.000 0.438 1013 A N 1.838 124.767 122.820 0.182 0.000 2.306 1013 A HA 0.440 4.721 4.320 -0.065 0.000 0.314 1013 A C -1.464 176.212 177.584 0.154 0.000 1.164 1013 A CA -0.414 51.757 52.037 0.223 0.000 0.822 1013 A CB 0.398 19.547 19.000 0.249 0.000 1.130 1013 A HN 0.936 nan 8.150 nan 0.000 0.496 1014 W N 3.711 124.929 121.300 -0.136 0.000 2.446 1014 W HA 0.448 5.069 4.660 -0.065 0.000 0.316 1014 W C -0.958 175.439 176.519 -0.204 0.000 1.376 1014 W CA 0.272 57.311 57.345 -0.510 0.000 1.300 1014 W CB 0.515 29.692 29.460 -0.472 0.000 1.351 1014 W HN 0.409 nan 8.180 nan 0.000 0.530 1015 V N 8.130 127.705 119.914 -0.565 0.000 2.417 1015 V HA 0.343 4.424 4.120 -0.065 0.000 0.291 1015 V C -0.420 175.221 176.094 -0.754 0.000 1.024 1015 V CA -1.076 60.973 62.300 -0.419 0.000 0.861 1015 V CB 1.164 32.946 31.823 -0.069 0.000 0.985 1015 V HN 0.613 nan 8.190 nan 0.000 0.436 1016 C N 6.476 125.317 119.300 -0.764 0.000 2.364 1016 C HA 0.664 5.085 4.460 -0.065 0.000 0.324 1016 C C 0.182 174.990 174.990 -0.302 0.000 1.234 1016 C CA -0.838 57.682 59.018 -0.830 0.000 1.417 1016 C CB 0.536 27.535 27.740 -1.235 0.000 2.101 1016 C HN 1.130 nan 8.230 nan 0.000 0.466 1017 W N 3.547 124.597 121.300 -0.417 0.000 2.818 1017 W HA 0.369 4.990 4.660 -0.065 0.000 0.403 1017 W C 0.233 176.621 176.519 -0.219 0.000 0.991 1017 W CA -0.616 56.544 57.345 -0.309 0.000 1.925 1017 W CB -0.296 28.951 29.460 -0.355 0.000 1.166 1017 W HN 0.573 nan 8.180 nan 0.000 0.605 1018 D N 2.851 123.032 120.400 -0.366 0.000 2.358 1018 D HA 0.033 4.634 4.640 -0.065 0.000 0.258 1018 D C -1.214 175.040 176.300 -0.078 0.000 1.223 1018 D CA -1.438 52.424 54.000 -0.230 0.000 0.886 1018 D CB 1.742 42.403 40.800 -0.232 0.000 1.120 1018 D HN -0.083 nan 8.370 nan 0.000 0.482 1019 P HA -0.158 nan 4.420 nan 0.000 0.216 1019 P C 1.123 178.437 177.300 0.024 0.000 1.153 1019 P CA 1.057 64.171 63.100 0.023 0.000 0.858 1019 P CB 0.273 32.001 31.700 0.045 0.000 0.789 1020 E N -0.685 119.526 120.200 0.019 0.000 2.110 1020 E HA -0.153 4.158 4.350 -0.065 0.000 0.193 1020 E C 1.871 178.495 176.600 0.040 0.000 0.988 1020 E CA 0.908 57.325 56.400 0.028 0.000 0.804 1020 E CB -0.427 29.287 29.700 0.024 0.000 0.745 1020 E HN 0.162 nan 8.360 nan 0.000 0.458 1021 I N -0.155 120.434 120.570 0.031 0.000 2.333 1021 I HA -0.186 3.945 4.170 -0.065 0.000 0.246 1021 I C 2.192 178.354 176.117 0.076 0.000 1.106 1021 I CA 0.343 61.681 61.300 0.062 0.000 1.411 1021 I CB 0.118 38.157 38.000 0.065 0.000 1.082 1021 I HN 0.029 nan 8.210 nan 0.000 0.420 1022 V N 0.627 120.560 119.914 0.032 0.000 2.358 1022 V HA -0.267 3.814 4.120 -0.065 0.000 0.246 1022 V C 1.867 178.020 176.094 0.099 0.000 1.047 1022 V CA 1.853 64.174 62.300 0.034 0.000 1.035 1022 V CB -0.620 31.202 31.823 -0.001 0.000 0.658 1022 V HN 0.377 nan 8.190 nan 0.000 0.452 1023 D N 0.730 121.179 120.400 0.081 0.000 2.224 1023 D HA -0.049 4.552 4.640 -0.065 0.000 0.205 1023 D C 2.056 178.413 176.300 0.095 0.000 0.965 1023 D CA 1.375 55.423 54.000 0.080 0.000 0.852 1023 D CB -0.292 40.541 40.800 0.055 0.000 0.947 1023 D HN 0.493 nan 8.370 nan 0.000 0.494 1024 G N -0.748 108.117 108.800 0.109 0.000 2.985 1024 G HA2 -0.008 3.913 3.960 -0.065 0.000 0.209 1024 G HA3 -0.008 3.913 3.960 -0.065 0.000 0.209 1024 G C 0.063 175.030 174.900 0.112 0.000 1.165 1024 G CA -0.446 44.708 45.100 0.089 0.000 0.776 1024 G HN 0.128 nan 8.290 nan 0.000 0.541 1025 F N 1.746 121.708 119.950 0.021 0.000 2.410 1025 F HA 0.543 5.031 4.527 -0.065 0.000 0.348 1025 F C -0.303 175.509 175.800 0.020 0.000 1.106 1025 F CA -0.726 57.289 58.000 0.025 0.000 1.163 1025 F CB 1.525 40.549 39.000 0.040 0.000 1.129 1025 F HN -0.186 nan 8.300 nan 0.000 0.516 1026 V N 5.898 125.541 119.914 -0.452 0.000 2.417 1026 V HA 0.262 4.343 4.120 -0.065 0.000 0.291 1026 V C -0.291 175.576 176.094 -0.377 0.000 1.024 1026 V CA -1.229 60.920 62.300 -0.251 0.000 0.861 1026 V CB 1.323 33.036 31.823 -0.184 0.000 0.985 1026 V HN 0.653 nan 8.190 nan 0.000 0.436 1027 N N 2.998 121.681 118.700 -0.029 0.000 2.458 1027 N HA 0.388 5.089 4.740 -0.065 0.000 0.258 1027 N C 0.064 175.561 175.510 -0.022 0.000 1.219 1027 N CA 0.189 53.280 53.050 0.068 0.000 0.902 1027 N CB 1.349 39.912 38.487 0.127 0.000 1.076 1027 N HN 0.928 nan 8.380 nan 0.000 0.455 1028 A N 1.821 124.641 122.820 0.001 0.000 2.320 1028 A HA 0.511 4.792 4.320 -0.065 0.000 0.334 1028 A C 0.098 177.694 177.584 0.021 0.000 1.147 1028 A CA -0.632 51.405 52.037 -0.001 0.000 0.820 1028 A CB 0.727 19.728 19.000 0.002 0.000 1.218 1028 A HN 0.618 nan 8.150 nan 0.000 0.482 1029 E N 1.141 121.343 120.200 0.004 0.000 2.342 1029 E HA 0.341 4.652 4.350 -0.065 0.000 0.257 1029 E C 0.062 176.647 176.600 -0.025 0.000 1.150 1029 E CA -0.458 55.938 56.400 -0.007 0.000 0.926 1029 E CB 0.201 29.893 29.700 -0.013 0.000 1.074 1029 E HN 0.570 nan 8.360 nan 0.000 0.449 1030 M N 2.582 122.151 119.600 -0.052 0.000 2.250 1030 M HA 0.089 4.530 4.480 -0.065 0.000 0.337 1030 M C -1.911 174.311 176.300 -0.131 0.000 1.161 1030 M CA -1.335 53.895 55.300 -0.117 0.000 1.088 1030 M CB -0.981 31.550 32.600 -0.115 0.000 1.639 1030 M HN 0.351 nan 8.290 nan 0.000 0.447 1031 P HA 0.154 nan 4.420 nan 0.000 0.275 1031 P C -0.661 176.562 177.300 -0.127 0.000 1.228 1031 P CA -0.666 62.334 63.100 -0.167 0.000 0.786 1031 P CB 0.702 32.225 31.700 -0.294 0.000 0.927 1032 L N 3.056 124.252 121.223 -0.045 0.000 2.433 1032 L HA 0.148 4.449 4.340 -0.065 0.000 0.284 1032 L C 0.393 177.264 176.870 0.003 0.000 1.120 1032 L CA 0.132 54.959 54.840 -0.022 0.000 0.879 1032 L CB -1.250 40.810 42.059 0.002 0.000 1.232 1032 L HN 0.329 nan 8.230 nan 0.000 0.454 1033 E N 6.325 126.519 120.200 -0.011 0.000 2.373 1033 E HA 0.282 4.593 4.350 -0.065 0.000 0.263 1033 E C -2.063 174.574 176.600 0.061 0.000 1.073 1033 E CA -1.568 54.859 56.400 0.044 0.000 0.894 1033 E CB 0.208 29.928 29.700 0.033 0.000 1.008 1033 E HN 0.535 nan 8.360 nan 0.000 0.420 1034 P HA 0.073 nan 4.420 nan 0.000 0.281 1034 P C -0.794 176.559 177.300 0.088 0.000 1.249 1034 P CA -0.406 62.747 63.100 0.088 0.000 0.810 1034 P CB 0.663 32.425 31.700 0.103 0.000 1.008 1035 D N 1.449 121.900 120.400 0.085 0.000 2.338 1035 D HA 0.096 4.697 4.640 -0.065 0.000 0.255 1035 D C 0.434 176.812 176.300 0.130 0.000 1.237 1035 D CA 0.018 54.068 54.000 0.083 0.000 0.883 1035 D CB 0.049 40.883 40.800 0.056 0.000 1.087 1035 D HN 0.237 nan 8.370 nan 0.000 0.485 1036 L N 2.947 124.254 121.223 0.139 0.000 2.818 1036 L HA 0.047 4.348 4.340 -0.065 0.000 0.243 1036 L C 2.038 179.003 176.870 0.158 0.000 1.185 1036 L CA -0.131 54.859 54.840 0.250 0.000 0.988 1036 L CB -0.026 42.146 42.059 0.188 0.000 1.292 1036 L HN 0.331 nan 8.230 nan 0.000 0.519 1037 S N -0.171 115.554 115.700 0.042 0.000 2.419 1037 S HA -0.238 4.194 4.470 -0.065 0.000 0.233 1037 S C 2.014 176.559 174.600 -0.091 0.000 1.016 1037 S CA 0.782 58.979 58.200 -0.004 0.000 0.974 1037 S CB -0.299 62.900 63.200 -0.003 0.000 0.786 1037 S HN 0.507 nan 8.310 nan 0.000 0.492 1038 R N 0.128 120.455 120.500 -0.288 0.000 2.152 1038 R HA -0.092 4.209 4.340 -0.065 0.000 0.232 1038 R C 1.324 177.338 176.300 -0.476 0.000 1.117 1038 R CA 1.544 57.346 56.100 -0.498 0.000 0.981 1038 R CB -0.199 29.618 30.300 -0.805 0.000 0.870 1038 R HN 0.673 nan 8.270 nan 0.000 0.451 1039 Y N -1.093 119.272 120.300 0.109 0.000 2.559 1039 Y HA 0.199 4.710 4.550 -0.065 0.000 0.279 1039 Y C 0.142 176.193 175.900 0.251 0.000 1.117 1039 Y CA -0.674 57.547 58.100 0.202 0.000 1.263 1039 Y CB 0.378 38.985 38.460 0.245 0.000 1.230 1039 Y HN -0.106 nan 8.280 nan 0.000 0.528 1040 L N 2.515 123.889 121.223 0.252 0.000 2.255 1040 L HA 0.286 4.588 4.340 -0.065 0.000 0.289 1040 L C -0.664 176.277 176.870 0.119 0.000 1.046 1040 L CA -0.410 54.516 54.840 0.143 0.000 0.816 1040 L CB 0.838 42.906 42.059 0.016 0.000 1.197 1040 L HN 0.008 nan 8.230 nan 0.000 0.427 1041 K N 4.359 124.846 120.400 0.145 0.000 2.425 1041 K HA 0.377 4.659 4.320 -0.065 0.000 0.259 1041 K C -0.624 176.041 176.600 0.108 0.000 0.978 1041 K CA -0.636 55.715 56.287 0.107 0.000 0.883 1041 K CB 1.498 34.061 32.500 0.105 0.000 1.110 1041 K HN 0.309 nan 8.250 nan 0.000 0.436 1042 K N 2.485 122.931 120.400 0.077 0.000 2.273 1042 K HA 0.036 4.317 4.320 -0.065 0.000 0.287 1042 K C -0.446 176.182 176.600 0.045 0.000 1.089 1042 K CA -0.484 55.842 56.287 0.064 0.000 0.909 1042 K CB 0.495 33.025 32.500 0.049 0.000 1.123 1042 K HN 0.472 nan 8.250 nan 0.000 0.473 1043 D N 3.470 123.887 120.400 0.028 0.000 2.349 1043 D HA -0.022 4.579 4.640 -0.065 0.000 0.266 1043 D C 0.082 176.353 176.300 -0.048 0.000 1.293 1043 D CA 0.388 54.386 54.000 -0.004 0.000 0.926 1043 D CB 0.605 41.391 40.800 -0.024 0.000 1.090 1043 D HN 0.324 nan 8.370 nan 0.000 0.502 1044 K N 1.599 121.995 120.400 -0.006 0.000 2.387 1044 K HA 0.080 4.362 4.320 -0.065 0.000 0.198 1044 K C 0.355 176.968 176.600 0.022 0.000 1.022 1044 K CA -0.124 56.165 56.287 0.003 0.000 1.128 1044 K CB 0.387 32.907 32.500 0.033 0.000 0.853 1044 K HN 0.299 nan 8.250 nan 0.000 0.523 1045 T N 2.759 117.329 114.554 0.028 0.000 2.822 1045 T HA -0.047 4.264 4.350 -0.065 0.000 0.288 1045 T C 0.669 175.451 174.700 0.135 0.000 0.991 1045 T CA 0.257 62.408 62.100 0.084 0.000 1.176 1045 T CB 0.377 69.317 68.868 0.121 0.000 0.951 1045 T HN 0.346 nan 8.240 nan 0.000 0.526 1046 T N 1.028 115.659 114.554 0.127 0.000 2.824 1046 T HA 0.351 4.663 4.350 -0.065 0.000 0.277 1046 T C 1.087 175.901 174.700 0.191 0.000 0.975 1046 T CA -0.921 61.272 62.100 0.156 0.000 0.966 1046 T CB 0.514 69.472 68.868 0.152 0.000 1.054 1046 T HN 0.427 nan 8.240 nan 0.000 0.533 1047 F N 1.006 120.986 119.950 0.050 0.000 2.146 1047 F HA 0.048 4.536 4.527 -0.066 0.000 0.298 1047 F C 2.573 178.385 175.800 0.021 0.000 1.096 1047 F CA 1.707 59.720 58.000 0.021 0.000 1.275 1047 F CB -0.157 38.830 39.000 -0.021 0.000 1.008 1047 F HN 0.725 nan 8.300 nan 0.000 0.480 1048 K N 0.215 120.795 120.400 0.300 0.000 2.103 1048 K HA -0.248 4.033 4.320 -0.065 0.000 0.207 1048 K C 1.987 178.632 176.600 0.076 0.000 1.048 1048 K CA 1.979 58.383 56.287 0.195 0.000 0.930 1048 K CB -0.235 32.375 32.500 0.183 0.000 0.716 1048 K HN 0.411 nan 8.250 nan 0.000 0.444 1049 Q N 0.134 119.967 119.800 0.056 0.000 2.172 1049 Q HA -0.037 4.265 4.340 -0.065 0.000 0.200 1049 Q C 2.095 178.062 176.000 -0.055 0.000 0.964 1049 Q CA 1.018 56.828 55.803 0.012 0.000 0.855 1049 Q CB 0.083 28.839 28.738 0.031 0.000 0.918 1049 Q HN 0.354 nan 8.270 nan 0.000 0.444 1050 L N -0.078 121.078 121.223 -0.111 0.000 2.109 1050 L HA -0.096 4.205 4.340 -0.065 0.000 0.207 1050 L C 2.392 179.137 176.870 -0.209 0.000 1.086 1050 L CA 0.779 55.493 54.840 -0.210 0.000 0.760 1050 L CB -0.213 41.635 42.059 -0.352 0.000 0.910 1050 L HN 0.367 nan 8.230 nan 0.000 0.437 1051 M N -0.467 119.019 119.600 -0.189 0.000 2.394 1051 M HA -0.108 4.333 4.480 -0.065 0.000 0.264 1051 M C 2.127 178.408 176.300 -0.031 0.000 1.073 1051 M CA 1.304 56.561 55.300 -0.071 0.000 1.111 1051 M CB -0.001 32.591 32.600 -0.012 0.000 1.401 1051 M HN 0.228 nan 8.290 nan 0.000 0.448 1052 A N -0.590 122.196 122.820 -0.056 0.000 2.070 1052 A HA -0.094 4.187 4.320 -0.065 0.000 0.220 1052 A C 1.992 179.513 177.584 -0.105 0.000 1.159 1052 A CA 1.825 53.833 52.037 -0.048 0.000 0.656 1052 A CB -0.608 18.374 19.000 -0.030 0.000 0.800 1052 A HN 0.576 nan 8.150 nan 0.000 0.453 1053 S N -0.828 114.737 115.700 -0.225 0.000 2.522 1053 S HA -0.023 4.408 4.470 -0.065 0.000 0.227 1053 S C 1.377 175.731 174.600 -0.411 0.000 0.986 1053 S CA 0.733 58.725 58.200 -0.347 0.000 0.929 1053 S CB -0.260 62.637 63.200 -0.505 0.000 0.769 1053 S HN 0.780 nan 8.310 nan 0.000 0.529 1054 H N -0.174 118.869 119.070 -0.045 0.000 2.788 1054 H HA 0.369 4.888 4.556 -0.060 0.000 0.262 1054 H C 1.572 176.889 175.328 -0.018 0.000 0.968 1054 H CA 0.760 56.788 56.048 -0.034 0.000 1.218 1054 H CB 0.508 30.245 29.762 -0.043 0.000 1.443 1054 H HN 0.454 nan 8.280 nan 0.000 0.478 1055 G N 0.488 109.336 108.800 0.081 0.000 2.501 1055 G HA2 -0.202 3.719 3.960 -0.065 0.000 0.213 1055 G HA3 -0.202 3.719 3.960 -0.065 0.000 0.213 1055 G C -0.582 174.358 174.900 0.066 0.000 1.158 1055 G CA -0.096 45.038 45.100 0.057 0.000 1.079 1055 G HN 0.307 nan 8.290 nan 0.000 0.586 1056 T N 0.283 114.871 114.554 0.057 0.000 2.906 1056 T HA 0.827 5.138 4.350 -0.065 0.000 0.295 1056 T C 0.370 175.099 174.700 0.050 0.000 1.061 1056 T CA 1.488 63.621 62.100 0.056 0.000 1.000 1056 T CB 1.183 70.078 68.868 0.046 0.000 1.103 1056 T HN 2.695 nan 8.240 nan 0.000 0.486 1057 G N 1.309 110.140 108.800 0.051 0.000 2.592 1057 G HA2 -0.117 3.804 3.960 -0.065 0.000 0.684 1057 G HA3 -0.117 3.804 3.960 -0.065 0.000 0.684 1057 G C 0.954 175.877 174.900 0.038 0.000 1.291 1057 G CA 0.478 45.603 45.100 0.041 0.000 0.891 1057 G HN 1.264 nan 8.290 nan 0.000 0.544 1058 S N -0.639 115.077 115.700 0.026 0.000 2.383 1058 S HA 0.160 4.592 4.470 -0.065 0.000 0.227 1058 S C 2.685 177.288 174.600 0.005 0.000 1.026 1058 S CA 2.262 60.472 58.200 0.017 0.000 0.981 1058 S CB -0.434 62.771 63.200 0.009 0.000 0.818 1058 S HN 2.265 nan 8.310 nan 0.000 0.472 1059 A N 1.817 124.637 122.820 0.000 0.000 1.968 1059 A HA 0.436 4.717 4.320 -0.065 0.000 0.217 1059 A C 2.503 180.068 177.584 -0.031 0.000 1.169 1059 A CA 1.470 53.498 52.037 -0.015 0.000 0.638 1059 A CB -1.349 17.642 19.000 -0.015 0.000 0.812 1059 A HN 0.857 nan 8.150 nan 0.000 0.446 1060 A N 0.171 122.990 122.820 -0.001 0.000 1.873 1060 A HA -0.153 4.128 4.320 -0.065 0.000 0.215 1060 A C 2.144 179.725 177.584 -0.005 0.000 1.186 1060 A CA 1.925 53.970 52.037 0.012 0.000 0.616 1060 A CB -0.460 18.583 19.000 0.071 0.000 0.823 1060 A HN 0.544 nan 8.150 nan 0.000 0.442 1061 K N -0.099 120.328 120.400 0.046 0.000 2.057 1061 K HA -0.218 4.064 4.320 -0.065 0.000 0.207 1061 K C 2.065 178.701 176.600 0.060 0.000 1.049 1061 K CA 1.728 58.081 56.287 0.111 0.000 0.931 1061 K CB -0.224 32.349 32.500 0.122 0.000 0.714 1061 K HN 0.617 nan 8.250 nan 0.000 0.440 1062 E N 0.334 120.533 120.200 -0.001 0.000 2.038 1062 E HA -0.303 4.008 4.350 -0.065 0.000 0.195 1062 E C 2.166 178.763 176.600 -0.004 0.000 1.000 1062 E CA 1.633 58.017 56.400 -0.026 0.000 0.803 1062 E CB -0.078 29.627 29.700 0.008 0.000 0.750 1062 E HN 0.269 nan 8.360 nan 0.000 0.448 1063 Q N 0.249 120.004 119.800 -0.076 0.000 2.124 1063 Q HA -0.118 4.184 4.340 -0.065 0.000 0.202 1063 Q C 1.971 177.815 176.000 -0.260 0.000 0.977 1063 Q CA 2.442 58.126 55.803 -0.197 0.000 0.850 1063 Q CB -0.573 27.837 28.738 -0.546 0.000 0.901 1063 Q HN 0.276 nan 8.270 nan 0.000 0.429 1064 T N -0.342 114.053 114.554 -0.264 0.000 2.788 1064 T HA -0.132 4.179 4.350 -0.065 0.000 0.268 1064 T C 1.684 176.211 174.700 -0.288 0.000 1.044 1064 T CA 1.697 63.632 62.100 -0.275 0.000 1.139 1064 T CB -0.562 68.024 68.868 -0.469 0.000 0.867 1064 T HN 0.392 nan 8.240 nan 0.000 0.454 1065 T N 0.977 115.470 114.554 -0.103 0.000 2.708 1065 T HA -0.093 4.218 4.350 -0.065 0.000 0.266 1065 T C 1.624 176.253 174.700 -0.119 0.000 1.037 1065 T CA 1.270 63.353 62.100 -0.028 0.000 1.146 1065 T CB -0.525 68.259 68.868 -0.140 0.000 0.865 1065 T HN 0.516 nan 8.240 nan 0.000 0.435 1066 Y N 1.277 121.556 120.300 -0.034 0.000 2.293 1066 Y HA -0.097 4.427 4.550 -0.044 0.000 0.291 1066 Y C 2.471 178.331 175.900 -0.067 0.000 1.137 1066 Y CA 0.606 58.679 58.100 -0.044 0.000 1.202 1066 Y CB -0.231 38.185 38.460 -0.073 0.000 0.990 1066 Y HN 0.158 nan 8.280 nan 0.000 0.537 1067 D N 0.022 120.444 120.400 0.036 0.000 2.104 1067 D HA -0.244 4.358 4.640 -0.065 0.000 0.194 1067 D C 2.181 178.410 176.300 -0.118 0.000 0.994 1067 D CA 1.425 55.401 54.000 -0.040 0.000 0.830 1067 D CB -0.361 40.401 40.800 -0.062 0.000 0.959 1067 D HN 0.291 nan 8.370 nan 0.000 0.452 1068 M N -0.117 119.392 119.600 -0.151 0.000 2.117 1068 M HA -0.160 4.281 4.480 -0.065 0.000 0.262 1068 M C 1.920 178.240 176.300 0.033 0.000 1.065 1068 M CA 1.367 56.589 55.300 -0.129 0.000 1.114 1068 M CB -0.076 32.550 32.600 0.044 0.000 1.361 1068 M HN -0.006 nan 8.290 nan 0.000 0.408 1069 I N 0.191 120.830 120.570 0.116 0.000 2.163 1069 I HA -0.351 3.780 4.170 -0.065 0.000 0.243 1069 I C 2.796 178.891 176.117 -0.037 0.000 1.085 1069 I CA 1.695 63.086 61.300 0.151 0.000 1.347 1069 I CB -0.732 37.383 38.000 0.191 0.000 1.044 1069 I HN 0.521 nan 8.210 nan 0.000 0.408 1070 Q N 1.677 121.453 119.800 -0.041 0.000 2.046 1070 Q HA -0.218 4.084 4.340 -0.065 0.000 0.200 1070 Q C 2.105 178.151 176.000 0.076 0.000 0.975 1070 Q CA 1.630 57.416 55.803 -0.028 0.000 0.836 1070 Q CB -0.023 28.708 28.738 -0.012 0.000 0.896 1070 Q HN 0.469 nan 8.270 nan 0.000 0.428 1071 K N -0.020 120.402 120.400 0.037 0.000 2.147 1071 K HA -0.036 4.245 4.320 -0.065 0.000 0.205 1071 K C 2.209 178.923 176.600 0.189 0.000 1.049 1071 K CA 1.398 57.746 56.287 0.102 0.000 0.936 1071 K CB 0.097 32.623 32.500 0.042 0.000 0.722 1071 K HN 0.100 nan 8.250 nan 0.000 0.446 1072 S N 0.396 116.124 115.700 0.046 0.000 2.414 1072 S HA -0.010 4.422 4.470 -0.065 0.000 0.227 1072 S C 1.541 176.073 174.600 -0.113 0.000 1.022 1072 S CA 0.604 58.708 58.200 -0.159 0.000 0.958 1072 S CB -0.172 62.578 63.200 -0.750 0.000 0.797 1072 S HN 0.143 nan 8.310 nan 0.000 0.493 1073 F N 1.862 121.647 119.950 -0.275 0.000 2.102 1073 F HA -0.112 4.381 4.527 -0.057 0.000 0.298 1073 F C 2.494 178.310 175.800 0.027 0.000 1.105 1073 F CA 1.263 59.202 58.000 -0.101 0.000 1.239 1073 F CB -0.743 38.243 39.000 -0.023 0.000 0.991 1073 F HN 0.336 nan 8.300 nan 0.000 0.474 1074 H N -1.413 117.784 119.070 0.212 0.000 2.489 1074 H HA -0.205 4.312 4.556 -0.066 0.000 0.293 1074 H C 2.036 177.452 175.328 0.147 0.000 1.066 1074 H CA 1.536 57.680 56.048 0.159 0.000 1.305 1074 H CB -0.364 29.488 29.762 0.149 0.000 1.386 1074 H HN 0.350 nan 8.280 nan 0.000 0.551 1075 F N 0.355 120.376 119.950 0.119 0.000 2.262 1075 F HA 0.168 4.656 4.527 -0.066 0.000 0.292 1075 F C 2.541 178.331 175.800 -0.016 0.000 1.081 1075 F CA 1.008 59.046 58.000 0.062 0.000 1.355 1075 F CB -0.300 38.729 39.000 0.049 0.000 1.069 1075 F HN 0.119 nan 8.300 nan 0.000 0.506 1076 A N 0.016 122.875 122.820 0.065 0.000 2.015 1076 A HA -0.061 4.220 4.320 -0.065 0.000 0.219 1076 A C 1.654 179.134 177.584 -0.172 0.000 1.163 1076 A CA 1.306 53.304 52.037 -0.065 0.000 0.646 1076 A CB -0.831 18.091 19.000 -0.130 0.000 0.806 1076 A HN 0.373 nan 8.150 nan 0.000 0.448 1077 L N 0.279 121.401 121.223 -0.168 0.000 2.611 1077 L HA 0.113 4.414 4.340 -0.065 0.000 0.229 1077 L C 0.633 177.400 176.870 -0.172 0.000 1.137 1077 L CA 0.345 55.088 54.840 -0.161 0.000 0.901 1077 L CB -0.185 41.803 42.059 -0.119 0.000 1.098 1077 L HN 0.298 nan 8.230 nan 0.000 0.456 1078 Q N 0.443 120.112 119.800 -0.217 0.000 2.354 1078 Q HA 0.262 4.563 4.340 -0.065 0.000 0.244 1078 Q C -1.912 173.975 176.000 -0.190 0.000 0.969 1078 Q CA -1.810 53.872 55.803 -0.201 0.000 0.885 1078 Q CB -0.070 28.527 28.738 -0.235 0.000 1.241 1078 Q HN -0.006 nan 8.270 nan 0.000 0.461 1079 P HA -0.054 nan 4.420 nan 0.000 0.265 1079 P C -0.355 176.766 177.300 -0.299 0.000 1.187 1079 P CA 0.040 62.980 63.100 -0.265 0.000 0.766 1079 P CB 0.367 31.846 31.700 -0.368 0.000 0.820 1080 N N 1.730 120.264 118.700 -0.277 0.000 2.406 1080 N HA 0.131 4.832 4.740 -0.065 0.000 0.251 1080 N C -0.127 175.196 175.510 -0.312 0.000 1.069 1080 N CA 0.094 53.019 53.050 -0.208 0.000 0.947 1080 N CB -0.267 38.142 38.487 -0.131 0.000 1.111 1080 N HN 0.217 nan 8.380 nan 0.000 0.497 1081 F N 2.444 122.354 119.950 -0.068 0.000 2.664 1081 F HA 0.107 4.594 4.527 -0.065 0.000 0.296 1081 F C 1.706 177.411 175.800 -0.158 0.000 1.125 1081 F CA -0.230 57.698 58.000 -0.120 0.000 1.444 1081 F CB 0.030 39.009 39.000 -0.035 0.000 1.114 1081 F HN 0.451 nan 8.300 nan 0.000 0.576 1082 L N 0.797 122.038 121.223 0.030 0.000 2.010 1082 L HA -0.205 4.096 4.340 -0.065 0.000 0.219 1082 L C 2.469 179.311 176.870 -0.046 0.000 1.077 1082 L CA 2.410 57.233 54.840 -0.028 0.000 0.773 1082 L CB -1.367 40.685 42.059 -0.012 0.000 0.892 1082 L HN 0.170 nan 8.230 nan 0.000 0.436 1083 G N -1.283 107.489 108.800 -0.047 0.000 2.421 1083 G HA2 -0.351 3.570 3.960 -0.065 0.000 0.216 1083 G HA3 -0.351 3.570 3.960 -0.065 0.000 0.216 1083 G C 1.657 176.539 174.900 -0.029 0.000 1.171 1083 G CA 1.023 46.101 45.100 -0.036 0.000 0.775 1083 G HN 0.471 nan 8.290 nan 0.000 0.543 1084 M N -0.040 119.523 119.600 -0.061 0.000 2.086 1084 M HA -0.067 4.374 4.480 -0.065 0.000 0.261 1084 M C 2.462 178.752 176.300 -0.016 0.000 1.067 1084 M CA 1.544 56.831 55.300 -0.021 0.000 1.116 1084 M CB -0.214 32.351 32.600 -0.058 0.000 1.348 1084 M HN 0.259 nan 8.290 nan 0.000 0.407 1085 C N -0.143 119.034 119.300 -0.205 0.000 2.446 1085 C HA -0.054 4.367 4.460 -0.065 0.000 0.279 1085 C C 2.558 177.531 174.990 -0.028 0.000 1.366 1085 C CA 1.292 60.130 59.018 -0.299 0.000 1.763 1085 C CB -1.361 26.046 27.740 -0.555 0.000 1.929 1085 C HN 0.604 nan 8.230 nan 0.000 0.509 1086 T N 1.784 116.322 114.554 -0.026 0.000 2.777 1086 T HA -0.114 4.197 4.350 -0.065 0.000 0.266 1086 T C 1.632 176.384 174.700 0.086 0.000 1.040 1086 T CA 1.371 63.480 62.100 0.016 0.000 1.141 1086 T CB -0.321 68.558 68.868 0.017 0.000 0.868 1086 T HN 0.515 nan 8.240 nan 0.000 0.444 1087 N N 0.547 119.306 118.700 0.099 0.000 2.188 1087 N HA -0.053 4.648 4.740 -0.065 0.000 0.184 1087 N C 1.525 177.133 175.510 0.162 0.000 1.018 1087 N CA 0.866 53.983 53.050 0.113 0.000 0.858 1087 N CB -0.581 37.963 38.487 0.096 0.000 0.989 1087 N HN 0.462 nan 8.380 nan 0.000 0.426 1088 Y N 1.990 122.370 120.300 0.134 0.000 2.181 1088 Y HA -0.218 4.294 4.550 -0.065 0.000 0.288 1088 Y C 2.513 178.507 175.900 0.156 0.000 1.146 1088 Y CA 1.846 60.068 58.100 0.203 0.000 1.164 1088 Y CB -0.015 38.705 38.460 0.433 0.000 0.982 1088 Y HN -0.015 nan 8.280 nan 0.000 0.515 1089 K N 0.402 120.978 120.400 0.294 0.000 2.057 1089 K HA -0.248 4.033 4.320 -0.065 0.000 0.206 1089 K C 2.177 178.848 176.600 0.119 0.000 1.050 1089 K CA 1.740 58.136 56.287 0.182 0.000 0.935 1089 K CB -0.327 32.234 32.500 0.102 0.000 0.715 1089 K HN 0.471 nan 8.250 nan 0.000 0.439 1090 E N 0.581 120.852 120.200 0.119 0.000 2.049 1090 E HA -0.237 4.074 4.350 -0.065 0.000 0.198 1090 E C 2.081 178.741 176.600 0.100 0.000 1.007 1090 E CA 1.389 57.866 56.400 0.129 0.000 0.809 1090 E CB 0.083 29.854 29.700 0.118 0.000 0.749 1090 E HN 0.312 nan 8.360 nan 0.000 0.450 1091 R N -0.151 120.354 120.500 0.008 0.000 2.092 1091 R HA -0.123 4.178 4.340 -0.065 0.000 0.231 1091 R C 2.512 178.799 176.300 -0.021 0.000 1.119 1091 R CA 0.858 56.922 56.100 -0.058 0.000 0.970 1091 R CB -0.282 29.923 30.300 -0.158 0.000 0.864 1091 R HN 0.213 nan 8.270 nan 0.000 0.440 1092 L N 0.398 121.566 121.223 -0.092 0.000 2.044 1092 L HA -0.118 4.183 4.340 -0.065 0.000 0.205 1092 L C 2.131 179.029 176.870 0.047 0.000 1.075 1092 L CA 1.597 56.395 54.840 -0.072 0.000 0.747 1092 L CB -0.432 41.579 42.059 -0.080 0.000 0.903 1092 L HN 0.158 nan 8.230 nan 0.000 0.435 1093 C N -1.270 118.088 119.300 0.097 0.000 2.422 1093 C HA -0.184 4.237 4.460 -0.065 0.000 0.279 1093 C C 2.572 177.673 174.990 0.185 0.000 1.305 1093 C CA 0.778 59.877 59.018 0.135 0.000 1.757 1093 C CB -1.263 26.570 27.740 0.155 0.000 1.962 1093 C HN 0.690 nan 8.230 nan 0.000 0.499 1094 Y N 1.273 121.603 120.300 0.050 0.000 2.133 1094 Y HA -0.142 4.369 4.550 -0.065 0.000 0.287 1094 Y C 2.306 178.210 175.900 0.006 0.000 1.134 1094 Y CA 1.735 59.816 58.100 -0.032 0.000 1.133 1094 Y CB -0.488 37.885 38.460 -0.146 0.000 0.987 1094 Y HN 0.272 nan 8.280 nan 0.000 0.502 1095 I N 0.424 121.024 120.570 0.049 0.000 2.286 1095 I HA -0.336 3.795 4.170 -0.065 0.000 0.248 1095 I C 1.293 177.377 176.117 -0.054 0.000 1.115 1095 I CA 1.685 62.955 61.300 -0.050 0.000 1.392 1095 I CB -0.286 37.739 38.000 0.042 0.000 1.065 1095 I HN 0.335 nan 8.210 nan 0.000 0.418 1096 N N 1.351 120.050 118.700 -0.001 0.000 2.457 1096 N HA -0.136 4.565 4.740 -0.065 0.000 0.180 1096 N C 0.436 175.956 175.510 0.017 0.000 1.050 1096 N CA 0.470 53.527 53.050 0.012 0.000 0.906 1096 N CB -0.609 37.898 38.487 0.033 0.000 0.968 1096 N HN 0.286 nan 8.380 nan 0.000 0.445 1097 N N 0.432 119.153 118.700 0.035 0.000 2.686 1097 N HA -0.214 4.488 4.740 -0.065 0.000 0.261 1097 N C -1.424 174.122 175.510 0.059 0.000 1.001 1097 N CA 0.542 53.646 53.050 0.090 0.000 0.764 1097 N CB -1.064 37.455 38.487 0.053 0.000 0.898 1097 N HN 0.147 nan 8.380 nan 0.000 0.544 1098 S N -0.808 114.938 115.700 0.077 0.000 2.543 1098 S HA 0.535 4.966 4.470 -0.065 0.000 0.273 1098 S C 0.240 174.886 174.600 0.077 0.000 1.152 1098 S CA -0.182 58.053 58.200 0.058 0.000 0.910 1098 S CB 1.077 64.303 63.200 0.044 0.000 1.105 1098 S HN 0.726 nan 8.310 nan 0.000 0.465 1099 V N 2.072 122.027 119.914 0.068 0.000 3.319 1099 V HA 0.433 4.514 4.120 -0.065 0.000 0.317 1099 V C 0.718 176.856 176.094 0.073 0.000 1.411 1099 V CA 0.692 63.036 62.300 0.075 0.000 1.112 1099 V CB -0.033 31.837 31.823 0.077 0.000 1.031 1099 V HN 0.853 nan 8.190 nan 0.000 0.448 1100 S N -0.153 115.588 115.700 0.068 0.000 2.733 1100 S HA 0.204 4.635 4.470 -0.065 0.000 0.247 1100 S C 0.703 175.347 174.600 0.074 0.000 1.043 1100 S CA 0.054 58.301 58.200 0.079 0.000 1.066 1100 S CB -0.350 62.886 63.200 0.060 0.000 1.045 1100 S HN 0.727 nan 8.310 nan 0.000 0.586 1101 N N 2.731 121.469 118.700 0.062 0.000 2.322 1101 N HA 0.234 4.935 4.740 -0.065 0.000 0.270 1101 N C 0.671 176.223 175.510 0.069 0.000 1.286 1101 N CA -0.455 52.629 53.050 0.057 0.000 0.948 1101 N CB 0.378 38.892 38.487 0.046 0.000 1.164 1101 N HN 0.099 nan 8.380 nan 0.000 0.551 1102 K N -0.596 119.841 120.400 0.063 0.000 2.025 1102 K HA -0.042 4.239 4.320 -0.065 0.000 0.207 1102 K C -0.860 175.784 176.600 0.074 0.000 1.049 1102 K CA 1.320 57.649 56.287 0.069 0.000 0.933 1102 K CB -1.099 31.436 32.500 0.058 0.000 0.714 1102 K HN 0.509 nan 8.250 nan 0.000 0.438 1103 P HA -0.223 nan 4.420 nan 0.000 0.216 1103 P C 1.253 178.602 177.300 0.082 0.000 1.153 1103 P CA 1.883 65.031 63.100 0.080 0.000 0.858 1103 P CB -0.034 31.715 31.700 0.082 0.000 0.789 1104 A N 0.064 122.928 122.820 0.073 0.000 1.877 1104 A HA -0.166 4.115 4.320 -0.065 0.000 0.216 1104 A C 2.258 179.857 177.584 0.025 0.000 1.186 1104 A CA 1.613 53.684 52.037 0.056 0.000 0.620 1104 A CB -1.386 17.651 19.000 0.062 0.000 0.822 1104 A HN 0.035 nan 8.150 nan 0.000 0.443 1105 I N 0.069 120.687 120.570 0.079 0.000 2.226 1105 I HA -0.217 3.914 4.170 -0.065 0.000 0.245 1105 I C 2.410 178.603 176.117 0.127 0.000 1.100 1105 I CA 1.115 62.506 61.300 0.153 0.000 1.374 1105 I CB -1.304 36.838 38.000 0.236 0.000 1.057 1105 I HN 0.309 nan 8.210 nan 0.000 0.413 1106 I N 0.436 121.063 120.570 0.094 0.000 2.127 1106 I HA -0.320 3.811 4.170 -0.065 0.000 0.241 1106 I C 2.550 178.685 176.117 0.031 0.000 1.075 1106 I CA 1.490 62.834 61.300 0.074 0.000 1.334 1106 I CB -0.391 37.647 38.000 0.064 0.000 1.040 1106 I HN 0.128 nan 8.210 nan 0.000 0.405 1107 L N -0.325 120.913 121.223 0.024 0.000 2.141 1107 L HA -0.162 4.139 4.340 -0.065 0.000 0.209 1107 L C 2.629 179.407 176.870 -0.152 0.000 1.094 1107 L CA 1.018 55.856 54.840 -0.003 0.000 0.763 1107 L CB -0.429 41.681 42.059 0.086 0.000 0.908 1107 L HN 0.164 nan 8.230 nan 0.000 0.437 1108 S N -1.068 114.479 115.700 -0.255 0.000 2.368 1108 S HA -0.192 4.239 4.470 -0.065 0.000 0.224 1108 S C 2.201 176.579 174.600 -0.370 0.000 1.029 1108 S CA 1.535 59.414 58.200 -0.535 0.000 0.988 1108 S CB -0.152 62.511 63.200 -0.895 0.000 0.838 1108 S HN 0.418 nan 8.310 nan 0.000 0.462 1109 S N 1.213 116.856 115.700 -0.094 0.000 2.368 1109 S HA -0.077 4.355 4.470 -0.065 0.000 0.225 1109 S C 1.840 176.445 174.600 0.008 0.000 1.030 1109 S CA 0.962 59.251 58.200 0.147 0.000 0.999 1109 S CB -0.482 62.867 63.200 0.249 0.000 0.844 1109 S HN 0.338 nan 8.310 nan 0.000 0.459 1110 L N 2.701 123.886 121.223 -0.062 0.000 1.956 1110 L HA -0.078 4.223 4.340 -0.065 0.000 0.216 1110 L C 2.538 179.298 176.870 -0.184 0.000 1.073 1110 L CA 2.686 57.440 54.840 -0.142 0.000 0.762 1110 L CB -1.302 40.666 42.059 -0.151 0.000 0.889 1110 L HN 0.375 nan 8.230 nan 0.000 0.433 1111 V N -1.908 117.885 119.914 -0.202 0.000 2.594 1111 V HA -0.050 4.031 4.120 -0.065 0.000 0.253 1111 V C 2.346 178.369 176.094 -0.118 0.000 1.069 1111 V CA 1.633 63.817 62.300 -0.193 0.000 1.082 1111 V CB -2.077 29.599 31.823 -0.246 0.000 0.680 1111 V HN 0.500 nan 8.190 nan 0.000 0.469 1112 G N 0.698 109.446 108.800 -0.087 0.000 2.418 1112 G HA2 -0.255 3.666 3.960 -0.065 0.000 0.217 1112 G HA3 -0.255 3.666 3.960 -0.065 0.000 0.217 1112 G C 1.371 176.284 174.900 0.021 0.000 1.158 1112 G CA 1.032 46.142 45.100 0.017 0.000 0.771 1112 G HN 0.574 nan 8.290 nan 0.000 0.545 1113 N N 0.250 118.942 118.700 -0.013 0.000 2.354 1113 N HA 0.052 4.753 4.740 -0.065 0.000 0.179 1113 N C 2.045 177.533 175.510 -0.036 0.000 1.021 1113 N CA 0.344 53.384 53.050 -0.017 0.000 0.887 1113 N CB -0.120 38.343 38.487 -0.039 0.000 0.974 1113 N HN 0.294 nan 8.380 nan 0.000 0.437 1114 L N 0.694 121.871 121.223 -0.077 0.000 2.492 1114 L HA 0.027 4.328 4.340 -0.065 0.000 0.223 1114 L C 1.976 178.849 176.870 0.005 0.000 1.132 1114 L CA 0.129 54.934 54.840 -0.058 0.000 0.850 1114 L CB -0.213 41.779 42.059 -0.112 0.000 0.966 1114 L HN 0.026 nan 8.230 nan 0.000 0.454 1115 V N -3.840 116.083 119.914 0.015 0.000 2.427 1115 V HA -0.155 3.927 4.120 -0.065 0.000 0.248 1115 V C 1.298 177.430 176.094 0.063 0.000 1.051 1115 V CA 1.556 63.881 62.300 0.041 0.000 1.048 1115 V CB -0.437 31.416 31.823 0.050 0.000 0.666 1115 V HN 0.298 nan 8.190 nan 0.000 0.456 1116 D N -0.240 120.200 120.400 0.066 0.000 2.370 1116 D HA 0.064 4.665 4.640 -0.065 0.000 0.230 1116 D C 1.862 178.227 176.300 0.107 0.000 1.143 1116 D CA 0.364 54.415 54.000 0.085 0.000 0.834 1116 D CB 0.567 41.413 40.800 0.076 0.000 0.944 1116 D HN 0.654 nan 8.370 nan 0.000 0.504 1117 Q N 0.236 120.107 119.800 0.117 0.000 2.096 1117 Q HA -0.196 4.105 4.340 -0.065 0.000 0.208 1117 Q C 1.697 177.864 176.000 0.278 0.000 0.993 1117 Q CA 1.629 57.538 55.803 0.176 0.000 0.862 1117 Q CB 0.191 29.025 28.738 0.160 0.000 0.915 1117 Q HN 0.034 nan 8.270 nan 0.000 0.416 1118 S N 0.257 116.121 115.700 0.273 0.000 2.371 1118 S HA -0.125 4.306 4.470 -0.065 0.000 0.224 1118 S C 1.527 176.226 174.600 0.164 0.000 1.029 1118 S CA 1.538 59.957 58.200 0.364 0.000 0.978 1118 S CB -0.053 63.332 63.200 0.309 0.000 0.833 1118 S HN 0.503 nan 8.310 nan 0.000 0.466 1119 K N 0.116 120.591 120.400 0.125 0.000 2.404 1119 K HA 0.255 4.536 4.320 -0.065 0.000 0.194 1119 K C 1.241 177.863 176.600 0.037 0.000 1.023 1119 K CA 0.290 56.619 56.287 0.070 0.000 1.094 1119 K CB 0.151 32.708 32.500 0.095 0.000 0.841 1119 K HN 0.003 nan 8.250 nan 0.000 0.523 1120 Q N 0.670 120.502 119.800 0.054 0.000 2.282 1120 Q HA 0.204 4.505 4.340 -0.065 0.000 0.206 1120 Q C 0.529 176.536 176.000 0.012 0.000 0.878 1120 Q CA 0.660 56.490 55.803 0.045 0.000 0.944 1120 Q CB 0.760 29.539 28.738 0.070 0.000 1.100 1120 Q HN 0.566 nan 8.270 nan 0.000 0.509 1121 G N 1.309 110.078 108.800 -0.052 0.000 2.341 1121 G HA2 -0.291 3.630 3.960 -0.065 0.000 0.292 1121 G HA3 -0.291 3.630 3.960 -0.065 0.000 0.292 1121 G C -0.073 174.872 174.900 0.075 0.000 1.021 1121 G CA 0.221 45.220 45.100 -0.169 0.000 0.905 1121 G HN 0.357 nan 8.290 nan 0.000 0.508 1122 I N 0.194 120.890 120.570 0.211 0.000 2.452 1122 I HA 0.211 4.342 4.170 -0.065 0.000 0.287 1122 I C 0.793 177.117 176.117 0.345 0.000 1.079 1122 I CA -0.390 61.044 61.300 0.223 0.000 1.387 1122 I CB 1.192 39.288 38.000 0.160 0.000 1.404 1122 I HN -0.086 nan 8.210 nan 0.000 0.522 1123 V N 8.082 128.173 119.914 0.295 0.000 2.432 1123 V HA 0.297 4.378 4.120 -0.065 0.000 0.275 1123 V C -0.519 175.755 176.094 0.300 0.000 1.043 1123 V CA -0.353 62.124 62.300 0.295 0.000 0.925 1123 V CB 1.137 33.105 31.823 0.242 0.000 0.985 1123 V HN 0.450 nan 8.190 nan 0.000 0.466 1124 F N 6.852 126.830 119.950 0.047 0.000 2.831 1124 F HA 0.536 5.024 4.527 -0.065 0.000 0.346 1124 F C -0.353 175.358 175.800 -0.148 0.000 1.224 1124 F CA -0.995 56.973 58.000 -0.052 0.000 1.048 1124 F CB 1.141 40.097 39.000 -0.072 0.000 1.339 1124 F HN 0.625 nan 8.300 nan 0.000 0.514 1125 N N 2.476 120.854 118.700 -0.536 0.000 2.813 1125 N HA 0.297 4.998 4.740 -0.065 0.000 0.320 1125 N C 0.691 175.758 175.510 -0.737 0.000 1.315 1125 N CA -0.509 52.294 53.050 -0.412 0.000 0.871 1125 N CB 0.348 38.780 38.487 -0.091 0.000 1.241 1125 N HN 0.552 nan 8.380 nan 0.000 0.602 1126 E N -0.541 119.528 120.200 -0.218 0.000 2.077 1126 E HA -0.112 4.199 4.350 -0.065 0.000 0.193 1126 E C 1.719 178.230 176.600 -0.148 0.000 0.989 1126 E CA 1.671 58.026 56.400 -0.075 0.000 0.800 1126 E CB -0.450 29.337 29.700 0.144 0.000 0.746 1126 E HN 0.634 nan 8.360 nan 0.000 0.452 1127 A N 0.043 122.789 122.820 -0.123 0.000 1.933 1127 A HA -0.172 4.109 4.320 -0.065 0.000 0.218 1127 A C 2.357 179.874 177.584 -0.111 0.000 1.175 1127 A CA 1.878 53.861 52.037 -0.089 0.000 0.628 1127 A CB -0.538 18.435 19.000 -0.046 0.000 0.814 1127 A HN 0.272 nan 8.150 nan 0.000 0.444 1128 S N -1.898 113.684 115.700 -0.196 0.000 2.387 1128 S HA -0.128 4.303 4.470 -0.065 0.000 0.226 1128 S C 1.558 176.097 174.600 -0.103 0.000 1.026 1128 S CA 0.683 58.821 58.200 -0.103 0.000 0.972 1128 S CB -0.460 62.681 63.200 -0.098 0.000 0.814 1128 S HN 0.777 nan 8.310 nan 0.000 0.477 1129 W N 2.330 123.177 121.300 -0.755 0.000 2.333 1129 W HA -0.258 4.363 4.660 -0.065 0.000 0.316 1129 W C 2.392 178.755 176.519 -0.261 0.000 1.215 1129 W CA 1.096 58.139 57.345 -0.504 0.000 1.278 1129 W CB -0.336 28.699 29.460 -0.708 0.000 1.154 1129 W HN 0.344 nan 8.180 nan 0.000 0.486 1130 A N 0.426 123.067 122.820 -0.298 0.000 1.883 1130 A HA -0.331 3.950 4.320 -0.065 0.000 0.217 1130 A C 1.965 179.392 177.584 -0.262 0.000 1.186 1130 A CA 2.066 53.885 52.037 -0.363 0.000 0.624 1130 A CB -1.382 17.499 19.000 -0.199 0.000 0.822 1130 A HN 0.595 nan 8.150 nan 0.000 0.444 1131 Q N -0.599 119.128 119.800 -0.122 0.000 2.061 1131 Q HA -0.188 4.113 4.340 -0.065 0.000 0.204 1131 Q C 2.106 178.069 176.000 -0.062 0.000 0.984 1131 Q CA 1.804 57.596 55.803 -0.018 0.000 0.846 1131 Q CB -0.251 28.559 28.738 0.121 0.000 0.902 1131 Q HN 0.692 nan 8.270 nan 0.000 0.421 1132 L N 0.268 121.393 121.223 -0.165 0.000 2.017 1132 L HA -0.218 4.083 4.340 -0.065 0.000 0.208 1132 L C 2.536 179.187 176.870 -0.365 0.000 1.073 1132 L CA 1.430 55.998 54.840 -0.452 0.000 0.745 1132 L CB -0.129 41.659 42.059 -0.451 0.000 0.894 1132 L HN 0.207 nan 8.230 nan 0.000 0.432 1133 R N -0.911 119.287 120.500 -0.503 0.000 2.092 1133 R HA -0.156 4.145 4.340 -0.065 0.000 0.231 1133 R C 2.443 178.579 176.300 -0.274 0.000 1.119 1133 R CA 1.180 56.972 56.100 -0.512 0.000 0.970 1133 R CB -0.320 29.454 30.300 -0.876 0.000 0.864 1133 R HN 0.340 nan 8.270 nan 0.000 0.440 1134 R N 0.975 121.337 120.500 -0.230 0.000 2.073 1134 R HA -0.159 4.142 4.340 -0.065 0.000 0.234 1134 R C 1.637 177.894 176.300 -0.072 0.000 1.134 1134 R CA 1.718 57.743 56.100 -0.125 0.000 0.952 1134 R CB 0.060 30.305 30.300 -0.091 0.000 0.850 1134 R HN 0.313 nan 8.270 nan 0.000 0.433 1135 E N -0.569 119.595 120.200 -0.061 0.000 2.190 1135 E HA -0.015 4.296 4.350 -0.065 0.000 0.191 1135 E C 1.627 178.224 176.600 -0.006 0.000 0.978 1135 E CA 0.623 57.023 56.400 0.000 0.000 0.839 1135 E CB 0.345 30.097 29.700 0.087 0.000 0.787 1135 E HN 0.287 nan 8.360 nan 0.000 0.473 1136 L N -0.075 121.113 121.223 -0.057 0.000 2.701 1136 L HA 0.251 4.552 4.340 -0.065 0.000 0.238 1136 L C 0.707 177.566 176.870 -0.019 0.000 1.106 1136 L CA 0.056 54.877 54.840 -0.032 0.000 0.898 1136 L CB 0.397 42.421 42.059 -0.058 0.000 1.188 1136 L HN 0.017 nan 8.230 nan 0.000 0.508 1137 L N -2.360 118.840 121.223 -0.039 0.000 3.236 1137 L HA 0.602 4.903 4.340 -0.065 0.000 0.225 1137 L C 1.127 178.000 176.870 0.006 0.000 1.995 1137 L CA -0.781 54.063 54.840 0.007 0.000 2.089 1137 L CB -0.803 41.286 42.059 0.051 0.000 2.074 1137 L HN -0.139 nan 8.230 nan 0.000 0.567 1138 G N -0.656 108.174 108.800 0.050 0.000 2.492 1138 G HA2 0.257 4.178 3.960 -0.065 0.000 0.353 1138 G HA3 0.257 4.178 3.960 -0.065 0.000 0.353 1138 G C 0.710 175.610 174.900 0.000 0.000 1.297 1138 G CA 0.388 45.523 45.100 0.059 0.000 1.192 1138 G HN 1.437 nan 8.290 nan 0.000 0.677 1139 G N -2.044 106.761 108.800 0.008 0.000 2.353 1139 G HA2 0.182 4.103 3.960 -0.065 0.000 0.294 1139 G HA3 0.182 4.103 3.960 -0.065 0.000 0.294 1139 G C 1.035 175.961 174.900 0.043 0.000 1.077 1139 G CA 0.954 46.085 45.100 0.052 0.000 1.098 1139 G HN 1.777 nan 8.290 nan 0.000 0.511 1140 A N 1.488 124.273 122.820 -0.059 0.000 1.908 1140 A HA 0.233 4.515 4.320 -0.065 0.000 0.211 1140 A C 1.706 179.294 177.584 0.006 0.000 1.225 1140 A CA 1.523 53.498 52.037 -0.104 0.000 0.689 1140 A CB -0.419 18.523 19.000 -0.096 0.000 0.843 1140 A HN 1.774 nan 8.150 nan 0.000 0.472 1141 L N -0.714 120.514 121.223 0.008 0.000 4.671 1141 L HA -0.149 4.153 4.340 -0.065 0.000 0.583 1141 L C 0.812 177.723 176.870 0.069 0.000 0.979 1141 L CA 0.991 55.848 54.840 0.029 0.000 0.468 1141 L CB -1.757 40.312 42.059 0.015 0.000 0.302 1141 L HN 0.629 nan 8.230 nan 0.000 1.170 1142 S N 3.926 119.657 115.700 0.052 0.000 2.549 1142 S HA 0.349 4.780 4.470 -0.065 0.000 0.283 1142 S C 0.274 174.881 174.600 0.011 0.000 1.320 1142 S CA -0.677 57.559 58.200 0.060 0.000 1.058 1142 S CB 0.297 63.521 63.200 0.039 0.000 0.882 1142 S HN 0.375 nan 8.310 nan 0.000 0.498 1143 L N 6.267 127.470 121.223 -0.033 0.000 2.417 1143 L HA 0.375 4.676 4.340 -0.065 0.000 0.268 1143 L C -1.808 175.016 176.870 -0.077 0.000 1.158 1143 L CA -2.001 52.781 54.840 -0.097 0.000 0.819 1143 L CB 0.202 42.121 42.059 -0.234 0.000 1.112 1143 L HN 0.503 nan 8.230 nan 0.000 0.458 1144 P HA 0.082 nan 4.420 nan 0.000 0.272 1144 P C -1.173 176.034 177.300 -0.155 0.000 1.230 1144 P CA -0.389 62.658 63.100 -0.088 0.000 0.788 1144 P CB 0.407 32.070 31.700 -0.062 0.000 0.949 1145 D N 2.006 122.292 120.400 -0.190 0.000 2.414 1145 D HA 0.149 4.750 4.640 -0.065 0.000 0.242 1145 D C -1.987 174.001 176.300 -0.519 0.000 1.129 1145 D CA -0.564 53.252 54.000 -0.306 0.000 0.885 1145 D CB -0.673 39.985 40.800 -0.236 0.000 1.198 1145 D HN 0.257 nan 8.370 nan 0.000 0.437 1146 P HA -0.077 nan 4.420 nan 0.000 0.267 1146 P C 0.690 177.461 177.300 -0.881 0.000 1.201 1146 P CA -0.033 62.022 63.100 -1.742 0.000 0.775 1146 P CB 0.474 30.668 31.700 -2.510 0.000 0.854 1147 M N 1.474 120.857 119.600 -0.361 0.000 2.213 1147 M HA -0.133 4.308 4.480 -0.065 0.000 0.263 1147 M C 1.649 178.094 176.300 0.241 0.000 1.062 1147 M CA 1.850 57.178 55.300 0.048 0.000 1.105 1147 M CB -1.267 31.505 32.600 0.287 0.000 1.385 1147 M HN 0.485 nan 8.290 nan 0.000 0.417 1148 Y N -0.085 120.391 120.300 0.294 0.000 2.680 1148 Y HA 0.056 4.567 4.550 -0.065 0.000 0.303 1148 Y C 1.646 177.598 175.900 0.087 0.000 1.166 1148 Y CA 0.141 58.370 58.100 0.215 0.000 1.344 1148 Y CB -1.042 37.484 38.460 0.110 0.000 1.002 1148 Y HN 0.023 nan 8.280 nan 0.000 0.537 1149 K N 0.366 120.736 120.400 -0.050 0.000 2.314 1149 K HA 0.157 4.438 4.320 -0.065 0.000 0.198 1149 K C 0.360 176.993 176.600 0.054 0.000 1.045 1149 K CA 0.299 56.576 56.287 -0.016 0.000 0.988 1149 K CB 0.170 32.570 32.500 -0.167 0.000 0.783 1149 K HN 0.240 nan 8.250 nan 0.000 0.484 1150 S N 1.216 116.981 115.700 0.109 0.000 2.672 1150 S HA 0.112 4.543 4.470 -0.065 0.000 0.276 1150 S C 0.546 175.292 174.600 0.243 0.000 1.207 1150 S CA -0.647 57.632 58.200 0.132 0.000 1.002 1150 S CB 1.376 64.628 63.200 0.087 0.000 0.998 1150 S HN 0.085 nan 8.310 nan 0.000 0.542 1151 D N 1.130 121.639 120.400 0.181 0.000 2.194 1151 D HA 0.028 4.629 4.640 -0.065 0.000 0.204 1151 D C 0.840 177.337 176.300 0.330 0.000 0.964 1151 D CA 0.815 54.935 54.000 0.199 0.000 0.846 1151 D CB 0.029 40.894 40.800 0.108 0.000 0.962 1151 D HN 0.509 nan 8.370 nan 0.000 0.490 1152 S N -1.252 114.613 115.700 0.275 0.000 2.607 1152 S HA 0.259 4.690 4.470 -0.065 0.000 0.303 1152 S C -0.489 174.093 174.600 -0.029 0.000 1.086 1152 S CA -1.049 57.297 58.200 0.245 0.000 0.995 1152 S CB 1.740 64.996 63.200 0.094 0.000 1.084 1152 S HN 0.298 nan 8.310 nan 0.000 0.507 1153 W N 3.076 123.938 121.300 -0.730 0.000 2.565 1153 W HA 0.289 4.910 4.660 -0.065 0.000 0.325 1153 W C -0.976 175.251 176.519 -0.488 0.000 1.408 1153 W CA -0.530 56.078 57.345 -1.228 0.000 1.350 1153 W CB 0.145 28.948 29.460 -1.096 0.000 1.426 1153 W HN 0.685 nan 8.180 nan 0.000 0.538 1154 L N 6.412 127.132 121.223 -0.840 0.000 2.808 1154 L HA 0.244 4.545 4.340 -0.065 0.000 0.246 1154 L C 1.522 177.875 176.870 -0.860 0.000 1.153 1154 L CA -0.228 54.218 54.840 -0.655 0.000 0.956 1154 L CB -0.090 41.756 42.059 -0.356 0.000 1.270 1154 L HN 0.449 nan 8.230 nan 0.000 0.528 1155 G N 0.349 108.145 108.800 -1.673 0.000 0.000 1155 G HA2 0.202 4.123 3.960 -0.065 0.000 0.000 1155 G HA3 0.202 4.123 3.960 -0.065 0.000 0.000 1155 G C -0.349 174.049 174.900 -0.836 0.000 0.000 1155 G CA -0.383 43.817 45.100 -1.500 0.000 0.000 1155 G HN 0.192 nan 8.290 nan 0.000 0.000 1156 R N -0.201 120.121 120.500 -0.296 0.000 2.310 1156 R HA 0.540 4.841 4.340 -0.065 0.000 0.324 1156 R C 0.699 177.107 176.300 0.180 0.000 0.955 1156 R CA 0.628 56.700 56.100 -0.047 0.000 0.830 1156 R CB 0.315 30.589 30.300 -0.043 0.000 1.154 1156 R HN 1.451 nan 8.270 nan 0.000 0.458 1157 G N 2.737 111.676 108.800 0.231 0.000 2.562 1157 G HA2 -0.245 3.676 3.960 -0.065 0.000 0.250 1157 G HA3 -0.245 3.676 3.960 -0.065 0.000 0.250 1157 G C -0.954 174.181 174.900 0.392 0.000 1.269 1157 G CA -0.368 44.886 45.100 0.257 0.000 0.919 1157 G HN 0.614 nan 8.290 nan 0.000 0.574 1158 E N 1.827 122.153 120.200 0.210 0.000 2.338 1158 E HA 0.406 4.717 4.350 -0.065 0.000 0.272 1158 E C -1.952 174.696 176.600 0.079 0.000 1.029 1158 E CA -1.404 55.046 56.400 0.083 0.000 0.872 1158 E CB 0.338 30.074 29.700 0.061 0.000 1.015 1158 E HN 0.273 nan 8.360 nan 0.000 0.417 1159 P HA -0.058 nan 4.420 nan 0.000 0.264 1159 P C 0.650 178.007 177.300 0.095 0.000 1.183 1159 P CA 0.551 63.545 63.100 -0.177 0.000 0.763 1159 P CB 0.526 32.011 31.700 -0.359 0.000 0.807 1160 T N -1.398 113.257 114.554 0.169 0.000 3.038 1160 T HA -0.016 4.295 4.350 -0.065 0.000 0.244 1160 T C 0.700 175.456 174.700 0.093 0.000 1.016 1160 T CA 0.323 62.483 62.100 0.101 0.000 1.098 1160 T CB -0.371 68.552 68.868 0.091 0.000 0.954 1160 T HN 0.408 nan 8.240 nan 0.000 0.469 1161 H N 1.983 121.101 119.070 0.080 0.000 2.864 1161 H HA 0.277 4.794 4.556 -0.065 0.000 0.281 1161 H C 1.325 176.731 175.328 0.131 0.000 1.093 1161 H CA -0.343 55.752 56.048 0.079 0.000 1.453 1161 H CB 0.650 30.473 29.762 0.102 0.000 1.462 1161 H HN 0.257 nan 8.280 nan 0.000 0.480 1162 I N 5.007 125.446 120.570 -0.218 0.000 2.285 1162 I HA -0.387 3.744 4.170 -0.065 0.000 0.254 1162 I C 1.458 177.619 176.117 0.074 0.000 1.093 1162 I CA 1.551 62.800 61.300 -0.086 0.000 1.368 1162 I CB 0.082 37.981 38.000 -0.168 0.000 1.054 1162 I HN 0.664 nan 8.210 nan 0.000 0.435 1163 I N 0.085 120.743 120.570 0.148 0.000 2.333 1163 I HA -0.237 3.894 4.170 -0.065 0.000 0.246 1163 I C 2.007 178.235 176.117 0.183 0.000 1.106 1163 I CA 1.108 62.493 61.300 0.143 0.000 1.411 1163 I CB -0.584 37.447 38.000 0.051 0.000 1.082 1163 I HN 0.193 nan 8.210 nan 0.000 0.420 1164 D N 0.520 121.170 120.400 0.416 0.000 2.116 1164 D HA -0.276 4.325 4.640 -0.065 0.000 0.193 1164 D C 1.916 178.308 176.300 0.153 0.000 0.998 1164 D CA 1.600 55.849 54.000 0.415 0.000 0.836 1164 D CB -0.458 40.664 40.800 0.537 0.000 0.951 1164 D HN 0.388 nan 8.370 nan 0.000 0.449 1165 Y N 0.864 121.166 120.300 0.003 0.000 2.224 1165 Y HA -0.115 4.396 4.550 -0.065 0.000 0.289 1165 Y C 2.108 177.961 175.900 -0.078 0.000 1.146 1165 Y CA 1.276 59.332 58.100 -0.072 0.000 1.182 1165 Y CB -0.242 38.183 38.460 -0.057 0.000 0.983 1165 Y HN -0.056 nan 8.280 nan 0.000 0.524 1166 L N 0.248 121.454 121.223 -0.029 0.000 2.179 1166 L HA -0.123 4.178 4.340 -0.065 0.000 0.208 1166 L C 2.542 179.277 176.870 -0.225 0.000 1.096 1166 L CA 1.544 56.304 54.840 -0.132 0.000 0.779 1166 L CB -0.391 41.665 42.059 -0.006 0.000 0.922 1166 L HN 0.158 nan 8.230 nan 0.000 0.443 1167 K N 0.009 120.243 120.400 -0.276 0.000 2.137 1167 K HA -0.073 4.209 4.320 -0.065 0.000 0.202 1167 K C 1.847 178.169 176.600 -0.463 0.000 1.052 1167 K CA 1.286 57.311 56.287 -0.438 0.000 0.961 1167 K CB 0.053 32.140 32.500 -0.688 0.000 0.741 1167 K HN 0.140 nan 8.250 nan 0.000 0.452 1168 F N -0.303 119.544 119.950 -0.171 0.000 2.559 1168 F HA 0.133 4.621 4.527 -0.065 0.000 0.286 1168 F C 2.154 177.770 175.800 -0.307 0.000 1.108 1168 F CA -0.055 57.810 58.000 -0.226 0.000 1.436 1168 F CB 0.559 39.341 39.000 -0.364 0.000 1.130 1168 F HN -0.043 nan 8.300 nan 0.000 0.584 1169 S N -0.061 115.479 115.700 -0.267 0.000 2.456 1169 S HA 0.101 4.532 4.470 -0.065 0.000 0.224 1169 S C 1.693 176.083 174.600 -0.350 0.000 1.035 1169 S CA 0.464 58.455 58.200 -0.348 0.000 0.940 1169 S CB 0.302 63.182 63.200 -0.533 0.000 0.799 1169 S HN 0.100 nan 8.310 nan 0.000 0.508 1170 I N 1.134 121.458 120.570 -0.410 0.000 2.962 1170 I HA 0.263 4.394 4.170 -0.065 0.000 0.246 1170 I C 2.573 178.587 176.117 -0.172 0.000 1.091 1170 I CA 0.863 61.982 61.300 -0.301 0.000 1.469 1170 I CB -1.649 36.148 38.000 -0.339 0.000 1.324 1170 I HN 0.198 nan 8.210 nan 0.000 0.461 1171 A N 0.871 123.593 122.820 -0.163 0.000 1.872 1171 A HA -0.140 4.141 4.320 -0.065 0.000 0.214 1171 A C 2.430 179.971 177.584 -0.072 0.000 1.187 1171 A CA 1.188 53.164 52.037 -0.102 0.000 0.614 1171 A CB -0.444 18.491 19.000 -0.108 0.000 0.826 1171 A HN 0.179 nan 8.150 nan 0.000 0.442 1172 R N -0.025 120.434 120.500 -0.067 0.000 2.073 1172 R HA -0.068 4.233 4.340 -0.065 0.000 0.234 1172 R C -0.652 175.637 176.300 -0.018 0.000 1.134 1172 R CA 1.874 57.966 56.100 -0.013 0.000 0.952 1172 R CB -1.778 28.562 30.300 0.066 0.000 0.850 1172 R HN 0.349 nan 8.270 nan 0.000 0.433 1173 P HA -0.059 nan 4.420 nan 0.000 0.215 1173 P C 1.018 178.283 177.300 -0.059 0.000 1.157 1173 P CA 1.882 64.956 63.100 -0.042 0.000 0.868 1173 P CB -0.221 31.446 31.700 -0.055 0.000 0.788 1174 A N -0.723 122.054 122.820 -0.071 0.000 1.902 1174 A HA -0.190 4.091 4.320 -0.065 0.000 0.217 1174 A C 2.259 179.773 177.584 -0.116 0.000 1.181 1174 A CA 1.520 53.504 52.037 -0.089 0.000 0.623 1174 A CB -1.658 17.297 19.000 -0.075 0.000 0.818 1174 A HN 0.091 nan 8.150 nan 0.000 0.443 1175 I N -0.096 120.432 120.570 -0.070 0.000 2.099 1175 I HA -0.267 3.864 4.170 -0.065 0.000 0.239 1175 I C 1.907 177.980 176.117 -0.073 0.000 1.066 1175 I CA 1.778 63.051 61.300 -0.045 0.000 1.324 1175 I CB -0.529 37.479 38.000 0.013 0.000 1.037 1175 I HN 0.235 nan 8.210 nan 0.000 0.401 1176 D N 0.514 120.881 120.400 -0.055 0.000 2.221 1176 D HA -0.215 4.386 4.640 -0.065 0.000 0.204 1176 D C 2.043 178.303 176.300 -0.068 0.000 0.982 1176 D CA 1.156 55.123 54.000 -0.056 0.000 0.857 1176 D CB -0.165 40.613 40.800 -0.038 0.000 0.934 1176 D HN 0.233 nan 8.370 nan 0.000 0.475 1177 K N 0.219 120.568 120.400 -0.086 0.000 2.167 1177 K HA -0.075 4.206 4.320 -0.065 0.000 0.203 1177 K C 1.780 178.306 176.600 -0.123 0.000 1.052 1177 K CA 0.736 56.972 56.287 -0.085 0.000 0.956 1177 K CB 0.214 32.663 32.500 -0.085 0.000 0.735 1177 K HN -0.143 nan 8.250 nan 0.000 0.451 1178 E N 0.020 120.070 120.200 -0.249 0.000 2.358 1178 E HA 0.018 4.329 4.350 -0.065 0.000 0.195 1178 E C 1.251 177.766 176.600 -0.141 0.000 1.010 1178 E CA 0.567 56.674 56.400 -0.489 0.000 0.856 1178 E CB 0.210 29.088 29.700 -1.371 0.000 0.795 1178 E HN 0.276 nan 8.360 nan 0.000 0.504 1179 L N 0.096 121.277 121.223 -0.070 0.000 2.477 1179 L HA 0.103 4.404 4.340 -0.065 0.000 0.220 1179 L C 1.570 178.440 176.870 0.001 0.000 1.106 1179 L CA 0.244 55.050 54.840 -0.057 0.000 0.851 1179 L CB 0.146 42.148 42.059 -0.095 0.000 0.994 1179 L HN -0.008 nan 8.230 nan 0.000 0.462 1180 E N 0.489 120.701 120.200 0.019 0.000 2.481 1180 E HA 0.017 4.328 4.350 -0.065 0.000 0.195 1180 E C 1.974 178.650 176.600 0.126 0.000 1.047 1180 E CA 0.662 57.097 56.400 0.058 0.000 0.867 1180 E CB 0.287 29.997 29.700 0.017 0.000 0.858 1180 E HN 0.375 nan 8.360 nan 0.000 0.513 1181 A N 0.614 123.547 122.820 0.188 0.000 1.872 1181 A HA -0.091 4.190 4.320 -0.065 0.000 0.214 1181 A C 1.392 179.223 177.584 0.411 0.000 1.187 1181 A CA 0.857 53.063 52.037 0.281 0.000 0.614 1181 A CB -0.504 18.694 19.000 0.329 0.000 0.826 1181 A HN 0.302 nan 8.150 nan 0.000 0.442 1182 F N -2.999 117.067 119.950 0.194 0.000 2.942 1182 F HA 0.599 5.087 4.527 -0.065 0.000 0.324 1182 F C 0.478 176.334 175.800 0.094 0.000 1.265 1182 F CA -0.563 57.516 58.000 0.131 0.000 1.255 1182 F CB -0.216 38.852 39.000 0.113 0.000 1.048 1182 F HN 0.213 nan 8.300 nan 0.000 0.512 1183 H N -0.299 118.788 119.070 0.028 0.000 2.649 1183 H HA 0.344 4.861 4.556 -0.065 0.000 0.258 1183 H C 0.770 176.072 175.328 -0.042 0.000 1.165 1183 H CA -0.072 55.940 56.048 -0.060 0.000 1.006 1183 H CB 0.191 30.034 29.762 0.134 0.000 1.743 1183 H HN 0.292 nan 8.280 nan 0.000 0.609 1184 N N -0.367 118.360 118.700 0.044 0.000 2.557 1184 N HA 0.227 4.928 4.740 -0.065 0.000 0.217 1184 N C 0.981 176.491 175.510 0.001 0.000 1.062 1184 N CA 1.357 54.438 53.050 0.052 0.000 0.863 1184 N CB 0.858 39.398 38.487 0.087 0.000 1.390 1184 N HN 0.313 nan 8.380 nan 0.000 0.445 1185 A N -0.762 122.041 122.820 -0.029 0.000 3.608 1185 A HA -0.171 4.110 4.320 -0.065 0.000 0.223 1185 A C 1.330 178.827 177.584 -0.145 0.000 0.836 1185 A CA 1.354 53.364 52.037 -0.045 0.000 1.868 1185 A CB -1.634 17.388 19.000 0.036 0.000 0.811 1185 A HN 0.218 nan 8.150 nan 0.000 0.690 1186 M N -3.730 115.755 119.600 -0.193 0.000 2.838 1186 M HA 0.199 4.640 4.480 -0.065 0.000 0.251 1186 M C 1.357 177.516 176.300 -0.235 0.000 1.393 1186 M CA 1.722 56.843 55.300 -0.299 0.000 1.196 1186 M CB 0.627 32.943 32.600 -0.474 0.000 1.276 1186 M HN 0.447 nan 8.290 nan 0.000 0.541 1187 K N -0.641 119.661 120.400 -0.163 0.000 3.374 1187 K HA -0.113 4.168 4.320 -0.065 0.000 0.436 1187 K C 0.416 176.971 176.600 -0.075 0.000 0.381 1187 K CA 1.650 57.872 56.287 -0.108 0.000 1.923 1187 K CB -1.783 30.651 32.500 -0.110 0.000 0.654 1187 K HN 0.356 nan 8.250 nan 0.000 0.432 1188 A N -0.406 122.362 122.820 -0.087 0.000 2.637 1188 A HA 0.757 5.038 4.320 -0.065 0.000 0.293 1188 A C 0.188 177.729 177.584 -0.073 0.000 1.216 1188 A CA 0.492 52.492 52.037 -0.061 0.000 0.956 1188 A CB 0.498 19.470 19.000 -0.046 0.000 1.174 1188 A HN 0.707 nan 8.150 nan 0.000 0.525 1189 A N 0.833 123.593 122.820 -0.100 0.000 3.297 1189 A HA 0.465 4.746 4.320 -0.065 0.000 0.304 1189 A C 0.919 178.418 177.584 -0.142 0.000 0.963 1189 A CA -0.003 51.958 52.037 -0.126 0.000 0.935 1189 A CB -0.134 18.756 19.000 -0.185 0.000 1.093 1189 A HN 0.485 nan 8.150 nan 0.000 0.480 1190 K N -0.544 119.860 120.400 0.006 0.000 2.108 1190 K HA 0.243 4.524 4.320 -0.065 0.000 0.204 1190 K C 0.140 176.849 176.600 0.182 0.000 1.036 1190 K CA 1.211 57.545 56.287 0.079 0.000 0.965 1190 K CB 0.238 32.770 32.500 0.053 0.000 0.804 1190 K HN 0.169 nan 8.250 nan 0.000 0.454 1191 D N -0.281 120.191 120.400 0.120 0.000 3.285 1191 D HA 0.121 4.722 4.640 -0.065 0.000 0.314 1191 D C -0.106 176.237 176.300 0.071 0.000 1.601 1191 D CA -0.039 54.030 54.000 0.115 0.000 0.772 1191 D CB 0.525 41.373 40.800 0.080 0.000 1.312 1191 D HN 0.157 nan 8.370 nan 0.000 0.550 1192 T N -0.377 114.213 114.554 0.060 0.000 2.833 1192 T HA -0.128 4.183 4.350 -0.065 0.000 0.269 1192 T C 0.653 175.375 174.700 0.037 0.000 1.054 1192 T CA 0.949 63.070 62.100 0.036 0.000 1.135 1192 T CB -0.017 68.863 68.868 0.020 0.000 0.869 1192 T HN 0.286 nan 8.240 nan 0.000 0.466 1193 E N 1.589 121.821 120.200 0.054 0.000 2.260 1193 E HA -0.125 4.186 4.350 -0.065 0.000 0.267 1193 E C -0.526 176.094 176.600 0.035 0.000 1.117 1193 E CA 0.405 56.834 56.400 0.049 0.000 0.773 1193 E CB -1.604 28.117 29.700 0.034 0.000 1.259 1193 E HN 0.758 nan 8.360 nan 0.000 0.414 1194 D N -1.898 118.523 120.400 0.035 0.000 4.038 1194 D HA -0.219 4.382 4.640 -0.065 0.000 0.262 1194 D C 0.898 177.270 176.300 0.120 0.000 2.205 1194 D CA 1.418 55.450 54.000 0.053 0.000 0.886 1194 D CB -0.663 40.147 40.800 0.016 0.000 1.007 1194 D HN 0.383 nan 8.370 nan 0.000 1.100 1195 G N -1.025 107.878 108.800 0.173 0.000 3.227 1195 G HA2 0.599 4.520 3.960 -0.065 0.000 0.171 1195 G HA3 0.599 4.520 3.960 -0.065 0.000 0.171 1195 G C -0.824 174.113 174.900 0.062 0.000 1.463 1195 G CA 0.080 45.208 45.100 0.048 0.000 1.016 1195 G HN 0.925 nan 8.290 nan 0.000 0.594 1196 A N -0.330 122.423 122.820 -0.111 0.000 2.271 1196 A HA 0.748 5.029 4.320 -0.065 0.000 0.317 1196 A C -1.082 176.336 177.584 -0.277 0.000 1.245 1196 A CA -0.406 51.565 52.037 -0.110 0.000 0.857 1196 A CB 0.534 19.427 19.000 -0.179 0.000 1.175 1196 A HN 0.618 nan 8.150 nan 0.000 0.512 1197 H N 0.540 119.591 119.070 -0.031 0.000 2.834 1197 H HA 0.490 5.007 4.556 -0.065 0.000 0.369 1197 H C -0.016 175.360 175.328 0.080 0.000 1.174 1197 H CA -0.656 55.403 56.048 0.019 0.000 1.165 1197 H CB 1.094 30.965 29.762 0.181 0.000 1.820 1197 H HN 0.544 nan 8.280 nan 0.000 0.558 1198 F N -0.999 119.210 119.950 0.431 0.000 2.259 1198 F HA -0.096 4.392 4.527 -0.065 0.000 0.298 1198 F C 1.184 177.335 175.800 0.585 0.000 1.088 1198 F CA 0.387 58.684 58.000 0.495 0.000 1.358 1198 F CB 0.323 39.606 39.000 0.473 0.000 1.040 1198 F HN 0.393 nan 8.300 nan 0.000 0.505 1199 W N 2.746 124.330 121.300 0.473 0.000 2.181 1199 W HA 0.129 4.750 4.660 -0.065 0.000 0.335 1199 W C -0.788 175.879 176.519 0.248 0.000 1.310 1199 W CA 0.165 57.585 57.345 0.126 0.000 1.226 1199 W CB 0.686 30.088 29.460 -0.096 0.000 1.155 1199 W HN -0.071 nan 8.180 nan 0.000 0.565 1200 D N 7.418 127.326 120.400 -0.819 0.000 2.452 1200 D HA 0.110 4.711 4.640 -0.065 0.000 0.226 1200 D C -1.710 173.849 176.300 -1.234 0.000 1.366 1200 D CA -1.489 52.066 54.000 -0.742 0.000 0.986 1200 D CB 1.813 42.464 40.800 -0.248 0.000 1.420 1200 D HN 0.046 nan 8.370 nan 0.000 0.583 1201 P HA -0.076 nan 4.420 nan 0.000 0.225 1201 P C 0.669 177.754 177.300 -0.359 0.000 1.148 1201 P CA 0.643 63.379 63.100 -0.607 0.000 0.779 1201 P CB 0.682 32.350 31.700 -0.052 0.000 0.780 1202 D N -0.472 119.718 120.400 -0.351 0.000 2.178 1202 D HA -0.076 4.525 4.640 -0.065 0.000 0.202 1202 D C 1.620 177.760 176.300 -0.267 0.000 0.974 1202 D CA 0.858 54.714 54.000 -0.241 0.000 0.841 1202 D CB -0.401 40.266 40.800 -0.222 0.000 0.953 1202 D HN 0.097 nan 8.370 nan 0.000 0.478 1203 L N -0.115 120.813 121.223 -0.492 0.000 2.558 1203 L HA 0.214 4.515 4.340 -0.065 0.000 0.225 1203 L C 1.826 178.476 176.870 -0.366 0.000 1.128 1203 L CA 0.247 54.727 54.840 -0.600 0.000 0.868 1203 L CB -0.692 40.595 42.059 -1.286 0.000 1.006 1203 L HN -0.097 nan 8.230 nan 0.000 0.454 1204 A N -2.224 120.484 122.820 -0.188 0.000 2.308 1204 A HA 0.080 4.361 4.320 -0.065 0.000 0.217 1204 A C 2.281 180.023 177.584 0.263 0.000 1.216 1204 A CA 0.701 52.836 52.037 0.164 0.000 0.864 1204 A CB -0.147 19.021 19.000 0.280 0.000 0.902 1204 A HN 0.237 nan 8.150 nan 0.000 0.499 1205 S N -0.546 115.233 115.700 0.133 0.000 2.401 1205 S HA -0.285 4.146 4.470 -0.065 0.000 0.236 1205 S C 1.738 176.435 174.600 0.162 0.000 1.058 1205 S CA 2.434 60.698 58.200 0.107 0.000 1.151 1205 S CB -0.503 62.729 63.200 0.053 0.000 1.049 1205 S HN 0.681 nan 8.310 nan 0.000 0.432 1206 Y N -0.330 120.054 120.300 0.140 0.000 2.373 1206 Y HA 0.009 4.520 4.550 -0.065 0.000 0.293 1206 Y C 2.128 178.212 175.900 0.307 0.000 1.129 1206 Y CA 1.000 59.221 58.100 0.202 0.000 1.226 1206 Y CB -0.820 37.703 38.460 0.104 0.000 1.000 1206 Y HN 0.490 nan 8.280 nan 0.000 0.549 1207 Y N 0.972 121.489 120.300 0.362 0.000 2.053 1207 Y HA -0.334 4.177 4.550 -0.065 0.000 0.277 1207 Y C 2.415 178.501 175.900 0.310 0.000 1.159 1207 Y CA 2.528 60.855 58.100 0.379 0.000 1.125 1207 Y CB -0.774 37.907 38.460 0.369 0.000 0.969 1207 Y HN 0.032 nan 8.280 nan 0.000 0.492 1208 T N 0.882 115.626 114.554 0.316 0.000 2.915 1208 T HA -0.187 4.125 4.350 -0.065 0.000 0.269 1208 T C 1.542 176.275 174.700 0.055 0.000 1.071 1208 T CA 1.253 63.450 62.100 0.162 0.000 1.132 1208 T CB -0.755 68.271 68.868 0.262 0.000 0.878 1208 T HN 0.465 nan 8.240 nan 0.000 0.479 1209 F N 0.977 120.908 119.950 -0.032 0.000 2.134 1209 F HA 0.045 4.533 4.527 -0.065 0.000 0.299 1209 F C 1.653 177.382 175.800 -0.119 0.000 1.097 1209 F CA 0.766 58.722 58.000 -0.074 0.000 1.264 1209 F CB -0.399 38.546 39.000 -0.092 0.000 1.001 1209 F HN 0.137 nan 8.300 nan 0.000 0.479 1210 F N 0.989 120.667 119.950 -0.453 0.000 2.698 1210 F HA 0.116 4.604 4.527 -0.065 0.000 0.295 1210 F C 2.342 177.572 175.800 -0.950 0.000 1.124 1210 F CA 0.651 58.198 58.000 -0.755 0.000 1.426 1210 F CB -0.435 38.175 39.000 -0.649 0.000 1.120 1210 F HN -0.051 nan 8.300 nan 0.000 0.583 1211 K N 0.666 120.642 120.400 -0.707 0.000 2.155 1211 K HA -0.205 4.077 4.320 -0.065 0.000 0.203 1211 K C 1.792 178.174 176.600 -0.363 0.000 1.052 1211 K CA 1.658 57.648 56.287 -0.497 0.000 0.948 1211 K CB -0.308 32.007 32.500 -0.308 0.000 0.728 1211 K HN 0.324 nan 8.250 nan 0.000 0.448 1212 E N 0.402 120.386 120.200 -0.361 0.000 2.338 1212 E HA -0.092 4.219 4.350 -0.065 0.000 0.197 1212 E C 1.775 178.146 176.600 -0.381 0.000 1.007 1212 E CA 0.498 56.723 56.400 -0.291 0.000 0.849 1212 E CB 0.098 29.655 29.700 -0.237 0.000 0.774 1212 E HN 0.429 nan 8.360 nan 0.000 0.506 1213 I N -1.541 118.673 120.570 -0.594 0.000 2.685 1213 I HA -0.151 3.980 4.170 -0.065 0.000 0.251 1213 I C 1.491 177.277 176.117 -0.552 0.000 1.102 1213 I CA 0.495 61.395 61.300 -0.667 0.000 1.442 1213 I CB 0.281 37.661 38.000 -1.032 0.000 1.194 1213 I HN 0.020 nan 8.210 nan 0.000 0.448 1214 S N 0.099 115.453 115.700 -0.576 0.000 2.309 1214 S HA -0.334 4.097 4.470 -0.065 0.000 0.224 1214 S C 1.122 175.597 174.600 -0.208 0.000 1.262 1214 S CA 2.187 60.144 58.200 -0.405 0.000 1.753 1214 S CB -0.962 61.898 63.200 -0.567 0.000 2.374 1214 S HN 0.570 nan 8.310 nan 0.000 0.639 1215 D N -0.725 119.549 120.400 -0.211 0.000 2.468 1215 D HA 0.240 4.841 4.640 -0.065 0.000 0.243 1215 D C 1.536 177.783 176.300 -0.089 0.000 0.994 1215 D CA 1.213 55.137 54.000 -0.126 0.000 0.932 1215 D CB -0.079 40.648 40.800 -0.122 0.000 1.078 1215 D HN 0.280 nan 8.370 nan 0.000 0.473 1216 K N -0.775 119.569 120.400 -0.093 0.000 3.443 1216 K HA -0.225 4.056 4.320 -0.065 0.000 0.323 1216 K C 1.554 178.076 176.600 -0.130 0.000 0.757 1216 K CA 1.371 57.586 56.287 -0.121 0.000 1.417 1216 K CB -1.761 30.640 32.500 -0.165 0.000 1.338 1216 K HN 0.022 nan 8.250 nan 0.000 0.459 1217 S N -0.962 114.661 115.700 -0.128 0.000 2.353 1217 S HA -0.159 4.272 4.470 -0.065 0.000 0.222 1217 S C 1.173 175.715 174.600 -0.096 0.000 1.035 1217 S CA 2.230 60.344 58.200 -0.144 0.000 1.025 1217 S CB -0.105 63.038 63.200 -0.095 0.000 0.902 1217 S HN 0.412 nan 8.310 nan 0.000 0.440 1218 R N 0.116 120.582 120.500 -0.057 0.000 1.215 1218 R HA -0.210 4.091 4.340 -0.065 0.000 0.022 1218 R C 1.364 177.662 176.300 -0.003 0.000 0.960 1218 R CA 2.511 58.596 56.100 -0.025 0.000 1.900 1218 R CB -1.667 28.620 30.300 -0.021 0.000 0.218 1218 R HN 0.637 nan 8.270 nan 0.000 0.703 1219 S N -3.375 112.328 115.700 0.005 0.000 3.051 1219 S HA 0.369 4.800 4.470 -0.065 0.000 0.250 1219 S C 0.279 174.922 174.600 0.073 0.000 0.906 1219 S CA 0.089 58.313 58.200 0.039 0.000 1.234 1219 S CB 0.823 64.043 63.200 0.034 0.000 1.175 1219 S HN 0.212 nan 8.310 nan 0.000 0.635 1220 S N 0.943 116.668 115.700 0.043 0.000 2.520 1220 S HA 0.707 5.138 4.470 -0.065 0.000 0.219 1220 S C 1.553 176.278 174.600 0.208 0.000 1.028 1220 S CA 0.393 58.657 58.200 0.106 0.000 0.921 1220 S CB 0.585 63.733 63.200 -0.086 0.000 0.844 1220 S HN 1.352 nan 8.310 nan 0.000 0.495 1221 A N 1.865 124.767 122.820 0.137 0.000 5.093 1221 A HA -0.315 3.966 4.320 -0.065 0.000 0.329 1221 A C 1.361 179.067 177.584 0.203 0.000 1.836 1221 A CA 1.713 53.831 52.037 0.136 0.000 0.707 1221 A CB -1.885 17.147 19.000 0.053 0.000 1.389 1221 A HN 0.452 nan 8.150 nan 0.000 0.383 1222 L N -0.468 120.846 121.223 0.151 0.000 2.017 1222 L HA -0.031 4.270 4.340 -0.065 0.000 0.208 1222 L C 2.565 179.548 176.870 0.189 0.000 1.073 1222 L CA 2.469 57.392 54.840 0.139 0.000 0.745 1222 L CB -0.521 41.596 42.059 0.097 0.000 0.894 1222 L HN 0.673 nan 8.230 nan 0.000 0.432 1223 L N -2.009 119.361 121.223 0.245 0.000 2.012 1223 L HA -0.281 4.020 4.340 -0.065 0.000 0.210 1223 L C 2.472 179.581 176.870 0.399 0.000 1.073 1223 L CA 1.696 56.719 54.840 0.306 0.000 0.748 1223 L CB -0.446 41.825 42.059 0.355 0.000 0.891 1223 L HN 0.293 nan 8.230 nan 0.000 0.431 1224 F N 0.721 120.835 119.950 0.273 0.000 2.216 1224 F HA -0.187 4.301 4.527 -0.065 0.000 0.300 1224 F C 2.415 178.304 175.800 0.149 0.000 1.085 1224 F CA 1.815 59.954 58.000 0.231 0.000 1.326 1224 F CB -0.582 38.600 39.000 0.303 0.000 1.027 1224 F HN 0.046 nan 8.300 nan 0.000 0.497 1225 T N -1.064 113.579 114.554 0.147 0.000 2.770 1225 T HA -0.146 4.165 4.350 -0.065 0.000 0.263 1225 T C 1.950 176.666 174.700 0.027 0.000 1.039 1225 T CA 1.944 64.060 62.100 0.026 0.000 1.142 1225 T CB -0.675 68.233 68.868 0.067 0.000 0.868 1225 T HN 0.204 nan 8.240 nan 0.000 0.435 1226 T N 2.749 117.354 114.554 0.086 0.000 2.699 1226 T HA -0.097 4.214 4.350 -0.065 0.000 0.268 1226 T C 1.909 176.662 174.700 0.087 0.000 1.036 1226 T CA 1.118 63.270 62.100 0.087 0.000 1.147 1226 T CB -0.546 68.389 68.868 0.111 0.000 0.862 1226 T HN 0.133 nan 8.240 nan 0.000 0.446 1227 L N 1.375 122.665 121.223 0.112 0.000 1.989 1227 L HA -0.110 4.191 4.340 -0.065 0.000 0.211 1227 L C 2.195 179.058 176.870 -0.011 0.000 1.071 1227 L CA 1.893 56.775 54.840 0.071 0.000 0.749 1227 L CB -0.584 41.486 42.059 0.019 0.000 0.890 1227 L HN 0.122 nan 8.230 nan 0.000 0.431 1228 K N -0.483 119.855 120.400 -0.102 0.000 2.032 1228 K HA -0.163 4.118 4.320 -0.065 0.000 0.209 1228 K C 1.988 178.604 176.600 0.025 0.000 1.048 1228 K CA 1.496 57.739 56.287 -0.073 0.000 0.927 1228 K CB -0.451 31.943 32.500 -0.177 0.000 0.712 1228 K HN 0.382 nan 8.250 nan 0.000 0.441 1229 N N 0.834 119.544 118.700 0.016 0.000 2.036 1229 N HA -0.154 4.547 4.740 -0.065 0.000 0.195 1229 N C 1.764 177.314 175.510 0.067 0.000 1.037 1229 N CA 1.189 54.264 53.050 0.041 0.000 0.855 1229 N CB -0.164 38.343 38.487 0.033 0.000 1.033 1229 N HN 0.151 nan 8.380 nan 0.000 0.423 1230 R N 0.895 121.437 120.500 0.069 0.000 2.073 1230 R HA 0.004 4.305 4.340 -0.065 0.000 0.234 1230 R C 2.414 178.784 176.300 0.117 0.000 1.134 1230 R CA 0.573 56.719 56.100 0.077 0.000 0.952 1230 R CB -0.940 29.402 30.300 0.070 0.000 0.850 1230 R HN 0.356 nan 8.270 nan 0.000 0.433 1231 I N 0.187 120.849 120.570 0.154 0.000 2.151 1231 I HA -0.252 3.879 4.170 -0.065 0.000 0.243 1231 I C 2.541 178.814 176.117 0.260 0.000 1.080 1231 I CA 1.726 63.207 61.300 0.300 0.000 1.339 1231 I CB -0.856 37.365 38.000 0.368 0.000 1.039 1231 I HN 0.283 nan 8.210 nan 0.000 0.409 1232 G N 0.267 109.207 108.800 0.233 0.000 2.440 1232 G HA2 -0.256 3.665 3.960 -0.065 0.000 0.218 1232 G HA3 -0.256 3.665 3.960 -0.065 0.000 0.218 1232 G C 1.513 176.425 174.900 0.020 0.000 1.154 1232 G CA 0.799 46.008 45.100 0.181 0.000 0.767 1232 G HN 0.441 nan 8.290 nan 0.000 0.552 1233 E N -0.311 119.912 120.200 0.038 0.000 2.110 1233 E HA -0.070 4.241 4.350 -0.065 0.000 0.193 1233 E C 2.675 179.264 176.600 -0.018 0.000 0.988 1233 E CA 0.897 57.303 56.400 0.009 0.000 0.804 1233 E CB -0.062 29.657 29.700 0.032 0.000 0.745 1233 E HN 0.331 nan 8.360 nan 0.000 0.458 1234 V N 1.499 121.424 119.914 0.019 0.000 2.591 1234 V HA -0.203 3.879 4.120 -0.065 0.000 0.249 1234 V C 2.310 178.256 176.094 -0.245 0.000 1.053 1234 V CA 1.852 64.181 62.300 0.048 0.000 1.068 1234 V CB -0.356 31.649 31.823 0.304 0.000 0.689 1234 V HN 0.318 nan 8.190 nan 0.000 0.462 1235 E N 1.113 120.905 120.200 -0.681 0.000 2.106 1235 E HA -0.236 4.075 4.350 -0.065 0.000 0.192 1235 E C 1.989 178.219 176.600 -0.617 0.000 0.984 1235 E CA 1.610 57.148 56.400 -1.436 0.000 0.806 1235 E CB -0.443 28.109 29.700 -1.913 0.000 0.750 1235 E HN 0.482 nan 8.360 nan 0.000 0.458 1236 K N 0.144 120.339 120.400 -0.341 0.000 2.097 1236 K HA -0.121 4.160 4.320 -0.065 0.000 0.206 1236 K C 2.129 178.660 176.600 -0.115 0.000 1.049 1236 K CA 1.397 57.580 56.287 -0.174 0.000 0.933 1236 K CB -0.075 32.365 32.500 -0.098 0.000 0.717 1236 K HN 0.174 nan 8.250 nan 0.000 0.442 1237 E N 0.120 120.268 120.200 -0.087 0.000 2.110 1237 E HA -0.200 4.111 4.350 -0.065 0.000 0.193 1237 E C 1.828 178.424 176.600 -0.006 0.000 0.988 1237 E CA 1.087 57.472 56.400 -0.025 0.000 0.804 1237 E CB -0.244 29.470 29.700 0.025 0.000 0.745 1237 E HN 0.374 nan 8.360 nan 0.000 0.458 1238 Y N 1.214 121.418 120.300 -0.159 0.000 2.242 1238 Y HA -0.088 4.423 4.550 -0.065 0.000 0.291 1238 Y C 2.328 178.171 175.900 -0.094 0.000 1.137 1238 Y CA 1.630 59.667 58.100 -0.105 0.000 1.181 1238 Y CB -0.519 37.868 38.460 -0.122 0.000 0.989 1238 Y HN 0.037 nan 8.280 nan 0.000 0.527 1239 G N 1.126 109.886 108.800 -0.067 0.000 2.469 1239 G HA2 -0.235 3.686 3.960 -0.065 0.000 0.219 1239 G HA3 -0.235 3.686 3.960 -0.065 0.000 0.219 1239 G C 0.898 175.730 174.900 -0.114 0.000 1.150 1239 G CA 0.883 45.928 45.100 -0.092 0.000 0.763 1239 G HN 0.416 nan 8.290 nan 0.000 0.561 1253 P HA 0.351 nan 4.420 nan 0.000 0.289 1253 P C 0.541 177.889 177.300 0.081 0.000 1.302 1253 P CA -0.803 62.331 63.100 0.058 0.000 0.923 1253 P CB 1.445 33.176 31.700 0.051 0.000 1.238 1254 Y N 2.260 122.556 120.300 -0.006 0.000 2.081 1254 Y HA -0.188 4.323 4.550 -0.065 0.000 0.280 1254 Y C -0.939 174.965 175.900 0.006 0.000 1.163 1254 Y CA 2.345 60.441 58.100 -0.007 0.000 1.135 1254 Y CB -1.909 36.546 38.460 -0.008 0.000 0.970 1254 Y HN 0.300 nan 8.280 nan 0.000 0.498 1255 P HA -0.179 nan 4.420 nan 0.000 0.216 1255 P C 1.911 179.153 177.300 -0.096 0.000 1.150 1255 P CA 1.935 64.990 63.100 -0.076 0.000 0.837 1255 P CB -0.067 31.663 31.700 0.050 0.000 0.786 1256 V N 0.220 120.104 119.914 -0.049 0.000 2.307 1256 V HA -0.236 3.845 4.120 -0.065 0.000 0.245 1256 V C 2.498 178.564 176.094 -0.047 0.000 1.045 1256 V CA 1.785 64.067 62.300 -0.031 0.000 1.024 1256 V CB -0.967 30.847 31.823 -0.016 0.000 0.651 1256 V HN 0.089 nan 8.190 nan 0.000 0.449 1257 R N -0.235 120.213 120.500 -0.087 0.000 2.081 1257 R HA -0.129 4.172 4.340 -0.065 0.000 0.235 1257 R C 2.249 178.489 176.300 -0.100 0.000 1.131 1257 R CA 1.505 57.550 56.100 -0.092 0.000 0.960 1257 R CB -0.819 29.411 30.300 -0.116 0.000 0.856 1257 R HN 0.408 nan 8.270 nan 0.000 0.436 1258 V N 2.165 121.951 119.914 -0.213 0.000 2.287 1258 V HA -0.280 3.801 4.120 -0.065 0.000 0.248 1258 V C 1.992 178.108 176.094 0.037 0.000 1.053 1258 V CA 1.839 64.061 62.300 -0.130 0.000 1.027 1258 V CB -0.621 31.021 31.823 -0.302 0.000 0.646 1258 V HN 0.336 nan 8.190 nan 0.000 0.447 1259 N N 0.026 118.740 118.700 0.023 0.000 2.069 1259 N HA -0.211 4.490 4.740 -0.065 0.000 0.191 1259 N C 1.961 177.575 175.510 0.174 0.000 1.031 1259 N CA 1.680 54.807 53.050 0.129 0.000 0.852 1259 N CB -0.351 38.187 38.487 0.085 0.000 1.018 1259 N HN 0.619 nan 8.380 nan 0.000 0.423 1260 Q N -0.004 119.856 119.800 0.101 0.000 2.096 1260 Q HA -0.097 4.204 4.340 -0.065 0.000 0.204 1260 Q C 2.096 178.176 176.000 0.133 0.000 0.982 1260 Q CA 1.401 57.261 55.803 0.095 0.000 0.850 1260 Q CB -0.065 28.703 28.738 0.051 0.000 0.901 1260 Q HN 0.198 nan 8.270 nan 0.000 0.422 1261 V N -0.156 119.854 119.914 0.161 0.000 2.358 1261 V HA -0.252 3.829 4.120 -0.065 0.000 0.246 1261 V C 1.904 178.180 176.094 0.303 0.000 1.047 1261 V CA 1.689 64.126 62.300 0.228 0.000 1.035 1261 V CB -0.768 31.230 31.823 0.292 0.000 0.658 1261 V HN 0.352 nan 8.190 nan 0.000 0.452 1262 Y N 1.580 121.977 120.300 0.162 0.000 2.165 1262 Y HA -0.239 4.272 4.550 -0.065 0.000 0.286 1262 Y C 2.526 178.580 175.900 0.256 0.000 1.155 1262 Y CA 1.969 60.181 58.100 0.187 0.000 1.164 1262 Y CB -0.207 38.317 38.460 0.107 0.000 0.978 1262 Y HN 0.376 nan 8.280 nan 0.000 0.513 1263 E N -0.101 120.179 120.200 0.132 0.000 2.106 1263 E HA -0.196 4.115 4.350 -0.065 0.000 0.192 1263 E C 2.066 178.684 176.600 0.029 0.000 0.984 1263 E CA 1.308 57.726 56.400 0.030 0.000 0.806 1263 E CB -0.127 29.624 29.700 0.085 0.000 0.750 1263 E HN 0.537 nan 8.360 nan 0.000 0.458 1264 K N 0.528 120.987 120.400 0.098 0.000 2.097 1264 K HA -0.139 4.142 4.320 -0.065 0.000 0.205 1264 K C 1.974 178.652 176.600 0.130 0.000 1.050 1264 K CA 1.029 57.378 56.287 0.103 0.000 0.938 1264 K CB -0.231 32.346 32.500 0.127 0.000 0.718 1264 K HN 0.329 nan 8.250 nan 0.000 0.442 1265 W N 1.477 122.771 121.300 -0.011 0.000 2.333 1265 W HA -0.277 4.344 4.660 -0.065 0.000 0.316 1265 W C 1.614 178.078 176.519 -0.092 0.000 1.215 1265 W CA 1.339 58.671 57.345 -0.021 0.000 1.278 1265 W CB -0.608 28.839 29.460 -0.023 0.000 1.154 1265 W HN 0.053 nan 8.180 nan 0.000 0.486 1266 C N 1.184 120.362 119.300 -0.203 0.000 2.419 1266 C HA -0.043 4.378 4.460 -0.065 0.000 0.283 1266 C C 3.016 177.895 174.990 -0.185 0.000 1.373 1266 C CA 1.417 60.261 59.018 -0.290 0.000 1.781 1266 C CB -1.762 25.788 27.740 -0.315 0.000 1.886 1266 C HN 0.457 nan 8.230 nan 0.000 0.520 1267 A N 0.017 122.765 122.820 -0.119 0.000 2.167 1267 A HA 0.182 4.463 4.320 -0.065 0.000 0.214 1267 A C 0.884 178.424 177.584 -0.074 0.000 1.151 1267 A CA 0.366 52.357 52.037 -0.076 0.000 0.735 1267 A CB -0.479 18.501 19.000 -0.033 0.000 0.802 1267 A HN 0.637 nan 8.150 nan 0.000 0.467 1268 I N 1.392 121.902 120.570 -0.100 0.000 2.574 1268 I HA 0.070 4.201 4.170 -0.065 0.000 0.291 1268 I C 0.379 176.546 176.117 0.083 0.000 1.131 1268 I CA 0.347 61.627 61.300 -0.034 0.000 1.352 1268 I CB -0.067 37.858 38.000 -0.126 0.000 1.431 1268 I HN 0.014 nan 8.210 nan 0.000 0.543 1269 T N 6.779 121.314 114.554 -0.030 0.000 2.906 1269 T HA 0.550 4.861 4.350 -0.065 0.000 0.295 1269 T C -2.325 172.009 174.700 -0.610 0.000 1.061 1269 T CA -1.343 60.551 62.100 -0.344 0.000 1.000 1269 T CB 1.809 70.506 68.868 -0.285 0.000 1.103 1269 T HN 0.333 nan 8.240 nan 0.000 0.486 1283 K N 0.734 121.167 120.400 0.054 0.000 2.504 1283 K HA 0.380 4.661 4.320 -0.065 0.000 0.203 1283 K C 1.372 178.022 176.600 0.084 0.000 1.350 1283 K CA 0.663 56.985 56.287 0.058 0.000 0.953 1283 K CB 0.147 32.677 32.500 0.050 0.000 1.243 1283 K HN 0.386 nan 8.250 nan 0.000 0.534 1284 V N 2.443 122.417 119.914 0.101 0.000 2.358 1284 V HA -0.232 3.849 4.120 -0.065 0.000 0.246 1284 V C 2.209 178.398 176.094 0.159 0.000 1.047 1284 V CA 1.962 64.356 62.300 0.156 0.000 1.035 1284 V CB -0.384 31.552 31.823 0.188 0.000 0.658 1284 V HN 0.442 nan 8.190 nan 0.000 0.452 1285 I N -0.910 119.722 120.570 0.103 0.000 2.439 1285 I HA -0.128 4.003 4.170 -0.065 0.000 0.251 1285 I C 2.394 178.521 176.117 0.018 0.000 1.139 1285 I CA 1.583 62.907 61.300 0.039 0.000 1.438 1285 I CB -0.664 37.321 38.000 -0.025 0.000 1.085 1285 I HN 0.007 nan 8.210 nan 0.000 0.427 1286 R N 0.625 121.149 120.500 0.040 0.000 2.092 1286 R HA 0.057 4.358 4.340 -0.065 0.000 0.231 1286 R C 2.289 178.637 176.300 0.080 0.000 1.119 1286 R CA 1.595 57.723 56.100 0.047 0.000 0.970 1286 R CB -0.439 29.897 30.300 0.059 0.000 0.864 1286 R HN 0.407 nan 8.270 nan 0.000 0.440 1287 L N 0.168 121.457 121.223 0.109 0.000 2.109 1287 L HA -0.126 4.175 4.340 -0.065 0.000 0.207 1287 L C 2.078 179.030 176.870 0.138 0.000 1.086 1287 L CA 0.963 55.886 54.840 0.138 0.000 0.760 1287 L CB -0.144 42.009 42.059 0.157 0.000 0.910 1287 L HN 0.185 nan 8.230 nan 0.000 0.437 1288 L N -0.915 120.398 121.223 0.150 0.000 2.156 1288 L HA -0.170 4.131 4.340 -0.065 0.000 0.208 1288 L C 2.419 179.364 176.870 0.125 0.000 1.095 1288 L CA 1.141 56.094 54.840 0.189 0.000 0.770 1288 L CB -0.288 41.943 42.059 0.287 0.000 0.914 1288 L HN 0.272 nan 8.230 nan 0.000 0.439 1289 E N 0.264 120.474 120.200 0.016 0.000 2.170 1289 E HA -0.010 4.301 4.350 -0.065 0.000 0.191 1289 E C 0.629 177.151 176.600 -0.131 0.000 0.981 1289 E CA -0.118 56.231 56.400 -0.084 0.000 0.830 1289 E CB 0.319 29.933 29.700 -0.143 0.000 0.775 1289 E HN 0.261 nan 8.360 nan 0.000 0.470 1290 L N 1.793 122.937 121.223 -0.132 0.000 3.995 1290 L HA -0.259 4.042 4.340 -0.065 0.000 0.513 1290 L C 0.772 177.279 176.870 -0.606 0.000 1.147 1290 L CA -0.327 54.269 54.840 -0.407 0.000 0.703 1290 L CB -1.357 40.393 42.059 -0.516 0.000 1.306 1290 L HN 0.074 nan 8.230 nan 0.000 0.779 1291 S N 0.126 115.658 115.700 -0.280 0.000 2.515 1291 S HA -0.067 4.364 4.470 -0.065 0.000 0.231 1291 S C 1.467 175.987 174.600 -0.134 0.000 0.987 1291 S CA 1.203 59.298 58.200 -0.175 0.000 0.936 1291 S CB -0.141 63.024 63.200 -0.058 0.000 0.766 1291 S HN 0.740 nan 8.310 nan 0.000 0.528 1292 F N 1.077 121.026 119.950 -0.002 0.000 2.546 1292 F HA 0.242 4.730 4.527 -0.065 0.000 0.298 1292 F C 0.319 176.121 175.800 0.002 0.000 1.120 1292 F CA -0.095 57.905 58.000 -0.000 0.000 1.456 1292 F CB -0.836 38.165 39.000 0.002 0.000 1.088 1292 F HN -0.030 nan 8.300 nan 0.000 0.572 1293 L N 1.380 122.359 121.223 -0.407 0.000 2.278 1293 L HA 0.431 4.733 4.340 -0.065 0.000 0.287 1293 L C 1.546 178.355 176.870 -0.102 0.000 1.072 1293 L CA -0.404 54.313 54.840 -0.206 0.000 0.819 1293 L CB 1.170 43.047 42.059 -0.302 0.000 1.176 1293 L HN 0.185 nan 8.230 nan 0.000 0.435 1294 A N 2.120 124.924 122.820 -0.027 0.000 2.019 1294 A HA -0.156 4.125 4.320 -0.065 0.000 0.219 1294 A C 0.903 178.477 177.584 -0.017 0.000 1.164 1294 A CA 1.090 53.119 52.037 -0.013 0.000 0.644 1294 A CB -0.272 18.734 19.000 0.010 0.000 0.805 1294 A HN 0.751 nan 8.150 nan 0.000 0.449 1295 D N -0.902 119.487 120.400 -0.019 0.000 2.467 1295 D HA 0.294 4.895 4.640 -0.065 0.000 0.220 1295 D C 1.150 177.441 176.300 -0.016 0.000 1.103 1295 D CA -0.448 53.550 54.000 -0.003 0.000 0.886 1295 D CB 0.283 41.092 40.800 0.014 0.000 1.025 1295 D HN 0.188 nan 8.370 nan 0.000 0.514 1296 R N 1.818 122.308 120.500 -0.018 0.000 2.178 1296 R HA -0.175 4.127 4.340 -0.065 0.000 0.257 1296 R C 0.781 177.097 176.300 0.026 0.000 1.163 1296 R CA 1.270 57.358 56.100 -0.019 0.000 0.981 1296 R CB 0.160 30.448 30.300 -0.019 0.000 0.878 1296 R HN 0.491 nan 8.270 nan 0.000 0.454 1297 E N -0.403 119.834 120.200 0.061 0.000 2.511 1297 E HA -0.046 4.265 4.350 -0.065 0.000 0.196 1297 E C 1.202 177.891 176.600 0.150 0.000 1.066 1297 E CA 0.485 56.956 56.400 0.119 0.000 0.871 1297 E CB 0.205 30.002 29.700 0.160 0.000 0.863 1297 E HN 0.323 nan 8.360 nan 0.000 0.520 1298 M N 0.845 120.492 119.600 0.078 0.000 2.371 1298 M HA 0.081 4.522 4.480 -0.065 0.000 0.246 1298 M C 0.319 176.613 176.300 -0.010 0.000 1.103 1298 M CA -0.090 55.232 55.300 0.037 0.000 1.010 1298 M CB -0.774 31.812 32.600 -0.023 0.000 1.457 1298 M HN -0.025 nan 8.290 nan 0.000 0.486 1299 N N 0.112 118.813 118.700 0.002 0.000 2.381 1299 N HA 0.088 4.789 4.740 -0.065 0.000 0.254 1299 N C 0.680 176.208 175.510 0.030 0.000 1.264 1299 N CA 0.126 53.171 53.050 -0.008 0.000 0.942 1299 N CB 0.012 38.488 38.487 -0.018 0.000 1.190 1299 N HN -0.113 nan 8.380 nan 0.000 0.495 1300 T N -1.310 113.273 114.554 0.048 0.000 2.915 1300 T HA -0.124 4.187 4.350 -0.065 0.000 0.269 1300 T C 1.160 175.884 174.700 0.040 0.000 1.071 1300 T CA 0.654 62.784 62.100 0.049 0.000 1.132 1300 T CB -0.407 68.539 68.868 0.130 0.000 0.878 1300 T HN 0.587 nan 8.240 nan 0.000 0.479 1301 W N 2.265 123.516 121.300 -0.081 0.000 2.358 1301 W HA -0.134 4.487 4.660 -0.065 0.000 0.303 1301 W C 2.382 178.827 176.519 -0.123 0.000 1.208 1301 W CA 1.218 58.498 57.345 -0.109 0.000 1.274 1301 W CB -0.498 28.893 29.460 -0.115 0.000 1.138 1301 W HN 0.312 nan 8.180 nan 0.000 0.515 1302 A N 0.841 123.664 122.820 0.004 0.000 1.933 1302 A HA -0.195 4.086 4.320 -0.065 0.000 0.218 1302 A C 1.944 179.432 177.584 -0.160 0.000 1.175 1302 A CA 1.700 53.695 52.037 -0.071 0.000 0.628 1302 A CB -1.002 18.039 19.000 0.068 0.000 0.814 1302 A HN 0.241 nan 8.150 nan 0.000 0.444 1303 L N -0.881 120.212 121.223 -0.217 0.000 1.994 1303 L HA -0.154 4.147 4.340 -0.065 0.000 0.208 1303 L C 2.502 179.111 176.870 -0.435 0.000 1.071 1303 L CA 1.821 56.404 54.840 -0.429 0.000 0.745 1303 L CB -1.719 39.819 42.059 -0.867 0.000 0.892 1303 L HN 0.474 nan 8.230 nan 0.000 0.431 1304 L N 0.041 121.037 121.223 -0.379 0.000 2.042 1304 L HA -0.204 4.097 4.340 -0.065 0.000 0.210 1304 L C 2.820 179.535 176.870 -0.258 0.000 1.076 1304 L CA 1.748 56.458 54.840 -0.216 0.000 0.749 1304 L CB -0.686 41.194 42.059 -0.299 0.000 0.893 1304 L HN 0.228 nan 8.230 nan 0.000 0.432 1305 R N -0.751 119.446 120.500 -0.504 0.000 2.081 1305 R HA -0.135 4.166 4.340 -0.065 0.000 0.235 1305 R C 2.149 178.412 176.300 -0.061 0.000 1.131 1305 R CA 1.359 57.186 56.100 -0.456 0.000 0.960 1305 R CB -0.357 29.506 30.300 -0.728 0.000 0.856 1305 R HN 0.519 nan 8.270 nan 0.000 0.436 1306 A N 0.241 123.065 122.820 0.007 0.000 1.898 1306 A HA -0.168 4.114 4.320 -0.065 0.000 0.216 1306 A C 2.165 179.809 177.584 0.099 0.000 1.181 1306 A CA 1.892 54.010 52.037 0.134 0.000 0.620 1306 A CB -0.622 18.394 19.000 0.027 0.000 0.819 1306 A HN 0.581 nan 8.150 nan 0.000 0.442 1307 S N -1.112 114.633 115.700 0.076 0.000 2.371 1307 S HA -0.120 4.311 4.470 -0.065 0.000 0.224 1307 S C 1.911 176.699 174.600 0.313 0.000 1.029 1307 S CA 1.869 60.171 58.200 0.170 0.000 0.978 1307 S CB -1.066 62.257 63.200 0.205 0.000 0.833 1307 S HN 0.444 nan 8.310 nan 0.000 0.466 1308 T N 2.760 117.522 114.554 0.347 0.000 2.684 1308 T HA 0.017 4.328 4.350 -0.065 0.000 0.267 1308 T C 2.189 177.054 174.700 0.274 0.000 1.036 1308 T CA 1.601 63.965 62.100 0.440 0.000 1.148 1308 T CB -0.942 68.148 68.868 0.371 0.000 0.863 1308 T HN 0.650 nan 8.240 nan 0.000 0.436 1309 A N 0.707 123.702 122.820 0.292 0.000 1.933 1309 A HA -0.034 4.248 4.320 -0.065 0.000 0.218 1309 A C 2.016 179.779 177.584 0.298 0.000 1.175 1309 A CA 1.343 53.603 52.037 0.371 0.000 0.628 1309 A CB -0.924 18.334 19.000 0.430 0.000 0.814 1309 A HN 0.512 nan 8.150 nan 0.000 0.444 1310 F N 0.466 120.464 119.950 0.079 0.000 2.084 1310 F HA -0.118 4.371 4.527 -0.065 0.000 0.296 1310 F C 2.276 178.197 175.800 0.201 0.000 1.111 1310 F CA 2.159 60.185 58.000 0.043 0.000 1.224 1310 F CB -0.036 38.900 39.000 -0.108 0.000 0.991 1310 F HN 0.050 nan 8.300 nan 0.000 0.471 1311 K N 0.951 121.509 120.400 0.262 0.000 2.032 1311 K HA -0.160 4.121 4.320 -0.065 0.000 0.209 1311 K C 2.138 178.828 176.600 0.150 0.000 1.048 1311 K CA 1.811 58.163 56.287 0.108 0.000 0.927 1311 K CB -0.850 31.302 32.500 -0.580 0.000 0.712 1311 K HN 0.405 nan 8.250 nan 0.000 0.441 1312 L N -1.098 120.129 121.223 0.008 0.000 2.217 1312 L HA -0.138 4.164 4.340 -0.065 0.000 0.211 1312 L C 1.309 177.984 176.870 -0.324 0.000 1.107 1312 L CA 1.169 55.889 54.840 -0.200 0.000 0.783 1312 L CB -0.108 41.735 42.059 -0.359 0.000 0.919 1312 L HN 0.187 nan 8.230 nan 0.000 0.442 1313 Y N -3.245 117.198 120.300 0.238 0.000 2.610 1313 Y HA -0.016 4.495 4.550 -0.065 0.000 0.254 1313 Y C 1.933 177.824 175.900 -0.016 0.000 1.110 1313 Y CA -0.667 57.521 58.100 0.147 0.000 1.238 1313 Y CB 0.165 38.716 38.460 0.153 0.000 1.322 1313 Y HN 0.100 nan 8.280 nan 0.000 0.547 1314 Y N -1.074 119.116 120.300 -0.183 0.000 2.241 1314 Y HA -0.319 4.192 4.550 -0.065 0.000 0.286 1314 Y C 2.007 177.770 175.900 -0.227 0.000 1.166 1314 Y CA 1.633 59.450 58.100 -0.472 0.000 1.203 1314 Y CB -1.128 36.737 38.460 -0.992 0.000 0.977 1314 Y HN 0.165 nan 8.280 nan 0.000 0.529 1315 H N 0.450 118.796 119.070 -1.205 0.000 2.384 1315 H HA -0.255 4.262 4.556 -0.065 0.000 0.283 1315 H C 1.666 176.764 175.328 -0.384 0.000 1.093 1315 H CA 2.051 57.614 56.048 -0.808 0.000 1.165 1315 H CB -0.328 29.108 29.762 -0.544 0.000 1.430 1315 H HN 0.313 nan 8.280 nan 0.000 0.602 1316 K N -1.462 118.895 120.400 -0.071 0.000 3.132 1316 K HA 0.028 4.309 4.320 -0.065 0.000 0.256 1316 K C -0.618 176.010 176.600 0.047 0.000 2.543 1316 K CA 0.852 57.166 56.287 0.045 0.000 1.546 1316 K CB 0.366 32.937 32.500 0.120 0.000 2.799 1316 K HN 0.219 nan 8.250 nan 0.000 0.477 1317 S N 3.572 119.323 115.700 0.086 0.000 2.216 1317 S HA 0.315 4.746 4.470 -0.065 0.000 0.156 1317 S C -2.203 172.410 174.600 0.021 0.000 1.665 1317 S CA -0.992 57.240 58.200 0.054 0.000 1.262 1317 S CB 1.974 65.191 63.200 0.028 0.000 1.207 1317 S HN 0.150 nan 8.310 nan 0.000 0.427 1318 P HA -0.103 nan 4.420 nan 0.000 0.217 1318 P C 1.078 178.412 177.300 0.056 0.000 1.150 1318 P CA 1.079 64.088 63.100 -0.152 0.000 0.832 1318 P CB 0.307 31.617 31.700 -0.650 0.000 0.787 1319 K N -1.315 119.149 120.400 0.106 0.000 2.097 1319 K HA -0.109 4.172 4.320 -0.065 0.000 0.205 1319 K C 2.088 178.642 176.600 -0.076 0.000 1.050 1319 K CA 0.909 57.302 56.287 0.178 0.000 0.938 1319 K CB -0.612 32.095 32.500 0.344 0.000 0.718 1319 K HN 0.023 nan 8.250 nan 0.000 0.442 1320 F N 1.190 120.902 119.950 -0.396 0.000 2.069 1320 F HA -0.241 4.247 4.527 -0.065 0.000 0.298 1320 F C 1.986 177.375 175.800 -0.686 0.000 1.113 1320 F CA 1.562 58.991 58.000 -0.952 0.000 1.214 1320 F CB -0.825 37.727 39.000 -0.746 0.000 0.978 1320 F HN -0.147 nan 8.300 nan 0.000 0.474 1321 V N 0.037 119.443 119.914 -0.847 0.000 2.307 1321 V HA -0.263 3.819 4.120 -0.065 0.000 0.245 1321 V C 2.107 177.716 176.094 -0.809 0.000 1.045 1321 V CA 2.310 64.028 62.300 -0.970 0.000 1.024 1321 V CB -0.992 30.521 31.823 -0.516 0.000 0.651 1321 V HN 0.527 nan 8.190 nan 0.000 0.449 1322 W N 0.258 121.204 121.300 -0.592 0.000 2.358 1322 W HA -0.100 4.521 4.660 -0.065 0.000 0.303 1322 W C 2.803 179.019 176.519 -0.505 0.000 1.208 1322 W CA 1.897 58.876 57.345 -0.610 0.000 1.274 1322 W CB -0.343 28.429 29.460 -1.148 0.000 1.138 1322 W HN 0.288 nan 8.180 nan 0.000 0.515 1323 Q N -0.463 119.181 119.800 -0.261 0.000 2.119 1323 Q HA -0.201 4.100 4.340 -0.065 0.000 0.201 1323 Q C 2.090 177.888 176.000 -0.336 0.000 0.972 1323 Q CA 1.564 57.247 55.803 -0.200 0.000 0.847 1323 Q CB -0.135 28.546 28.738 -0.096 0.000 0.903 1323 Q HN 0.112 nan 8.270 nan 0.000 0.433 1324 M N -1.135 118.070 119.600 -0.658 0.000 2.248 1324 M HA 0.084 4.525 4.480 -0.065 0.000 0.265 1324 M C 1.631 177.541 176.300 -0.649 0.000 1.079 1324 M CA 1.319 56.095 55.300 -0.873 0.000 1.150 1324 M CB -0.437 31.046 32.600 -1.863 0.000 1.366 1324 M HN 0.300 nan 8.290 nan 0.000 0.433 1325 A N -0.723 121.728 122.820 -0.615 0.000 2.508 1325 A HA 0.495 4.776 4.320 -0.065 0.000 0.257 1325 A C 1.970 179.446 177.584 -0.179 0.000 1.226 1325 A CA 0.561 52.446 52.037 -0.253 0.000 0.947 1325 A CB -0.790 18.091 19.000 -0.198 0.000 1.079 1325 A HN 0.445 nan 8.150 nan 0.000 0.531 1326 G N 1.074 109.787 108.800 -0.145 0.000 2.606 1326 G HA2 -0.383 3.538 3.960 -0.065 0.000 0.221 1326 G HA3 -0.383 3.538 3.960 -0.065 0.000 0.221 1326 G C 1.684 176.669 174.900 0.140 0.000 1.152 1326 G CA 1.420 46.563 45.100 0.071 0.000 0.765 1326 G HN 0.574 nan 8.290 nan 0.000 0.595 1327 R N -0.056 120.522 120.500 0.131 0.000 2.094 1327 R HA -0.166 4.135 4.340 -0.065 0.000 0.239 1327 R C 2.750 178.765 176.300 -0.474 0.000 1.137 1327 R CA 2.147 58.276 56.100 0.049 0.000 0.943 1327 R CB -0.280 30.058 30.300 0.063 0.000 0.850 1327 R HN 0.409 nan 8.270 nan 0.000 0.433 1328 Q N 0.234 119.844 119.800 -0.318 0.000 2.230 1328 Q HA 0.003 4.305 4.340 -0.065 0.000 0.202 1328 Q C 2.070 177.967 176.000 -0.172 0.000 0.963 1328 Q CA 0.937 56.566 55.803 -0.290 0.000 0.866 1328 Q CB 0.011 28.718 28.738 -0.051 0.000 0.931 1328 Q HN 0.381 nan 8.270 nan 0.000 0.452 1329 L N -0.156 120.976 121.223 -0.152 0.000 2.079 1329 L HA -0.198 4.103 4.340 -0.065 0.000 0.210 1329 L C 2.295 179.214 176.870 0.082 0.000 1.081 1329 L CA 1.117 55.883 54.840 -0.123 0.000 0.752 1329 L CB -0.689 41.163 42.059 -0.345 0.000 0.896 1329 L HN 0.259 nan 8.230 nan 0.000 0.433 1330 A N -0.634 122.255 122.820 0.114 0.000 1.898 1330 A HA -0.213 4.068 4.320 -0.065 0.000 0.216 1330 A C 2.047 179.651 177.584 0.033 0.000 1.181 1330 A CA 1.328 53.442 52.037 0.128 0.000 0.620 1330 A CB -0.684 18.290 19.000 -0.044 0.000 0.819 1330 A HN 0.313 nan 8.150 nan 0.000 0.442 1331 Y N 0.136 120.434 120.300 -0.003 0.000 2.145 1331 Y HA -0.135 4.376 4.550 -0.065 0.000 0.286 1331 Y C 2.295 178.160 175.900 -0.057 0.000 1.145 1331 Y CA 0.557 58.634 58.100 -0.039 0.000 1.148 1331 Y CB -1.025 37.416 38.460 -0.031 0.000 0.981 1331 Y HN 0.227 nan 8.280 nan 0.000 0.507 1332 I N -0.195 120.438 120.570 0.105 0.000 2.208 1332 I HA -0.320 3.811 4.170 -0.065 0.000 0.245 1332 I C 2.428 178.531 176.117 -0.024 0.000 1.097 1332 I CA 1.687 63.022 61.300 0.058 0.000 1.363 1332 I CB -0.383 37.621 38.000 0.007 0.000 1.051 1332 I HN 0.050 nan 8.210 nan 0.000 0.413 1333 K N 1.577 121.902 120.400 -0.125 0.000 2.057 1333 K HA -0.122 4.159 4.320 -0.065 0.000 0.207 1333 K C 2.010 178.479 176.600 -0.218 0.000 1.049 1333 K CA 1.796 57.907 56.287 -0.294 0.000 0.931 1333 K CB -0.374 31.701 32.500 -0.708 0.000 0.714 1333 K HN 0.311 nan 8.250 nan 0.000 0.440 1334 A N 0.104 122.843 122.820 -0.134 0.000 2.016 1334 A HA -0.100 4.181 4.320 -0.065 0.000 0.217 1334 A C 2.026 179.577 177.584 -0.054 0.000 1.162 1334 A CA 1.141 53.123 52.037 -0.091 0.000 0.662 1334 A CB -0.342 18.629 19.000 -0.048 0.000 0.812 1334 A HN 0.443 nan 8.150 nan 0.000 0.450 1335 Q N -1.095 118.692 119.800 -0.022 0.000 2.016 1335 Q HA -0.099 4.202 4.340 -0.065 0.000 0.200 1335 Q C 2.115 178.094 176.000 -0.035 0.000 0.978 1335 Q CA 1.394 57.192 55.803 -0.009 0.000 0.833 1335 Q CB -0.226 28.542 28.738 0.050 0.000 0.895 1335 Q HN 0.515 nan 8.270 nan 0.000 0.427 1336 M N 0.194 119.764 119.600 -0.049 0.000 2.175 1336 M HA -0.090 4.351 4.480 -0.065 0.000 0.264 1336 M C 2.201 178.454 176.300 -0.078 0.000 1.063 1336 M CA 1.536 56.794 55.300 -0.069 0.000 1.119 1336 M CB -0.896 31.653 32.600 -0.085 0.000 1.377 1336 M HN 0.298 nan 8.290 nan 0.000 0.415 1337 T N -3.349 111.149 114.554 -0.093 0.000 3.129 1337 T HA 0.069 4.380 4.350 -0.065 0.000 0.251 1337 T C 0.986 175.649 174.700 -0.060 0.000 1.117 1337 T CA 0.007 62.056 62.100 -0.085 0.000 1.034 1337 T CB -0.181 68.622 68.868 -0.109 0.000 0.968 1337 T HN 0.156 nan 8.240 nan 0.000 0.526 1338 S N 1.647 117.314 115.700 -0.054 0.000 2.549 1338 S HA 0.357 4.788 4.470 -0.065 0.000 0.283 1338 S C -0.193 174.387 174.600 -0.033 0.000 1.320 1338 S CA -0.611 57.565 58.200 -0.040 0.000 1.058 1338 S CB 0.065 63.243 63.200 -0.037 0.000 0.882 1338 S HN 0.307 nan 8.310 nan 0.000 0.498 1339 R N 3.758 124.243 120.500 -0.025 0.000 2.599 1339 R HA 0.456 4.757 4.340 -0.065 0.000 0.295 1339 R C -2.861 173.431 176.300 -0.014 0.000 0.963 1339 R CA -2.560 53.529 56.100 -0.019 0.000 0.883 1339 R CB 0.859 31.151 30.300 -0.013 0.000 1.171 1339 R HN 0.461 nan 8.270 nan 0.000 0.450 1340 P HA 0.013 nan 4.420 nan 0.000 0.261 1340 P C 0.668 177.965 177.300 -0.005 0.000 1.173 1340 P CA 0.847 63.941 63.100 -0.010 0.000 0.760 1340 P CB 0.379 32.073 31.700 -0.009 0.000 0.783 1341 G N 2.644 111.442 108.800 -0.003 0.000 2.168 1341 G HA2 -0.298 3.623 3.960 -0.065 0.000 0.257 1341 G HA3 -0.298 3.623 3.960 -0.065 0.000 0.257 1341 G C 0.338 175.240 174.900 0.004 0.000 0.997 1341 G CA 0.040 45.141 45.100 0.001 0.000 0.708 1341 G HN 0.630 nan 8.290 nan 0.000 0.520 1342 E N -0.185 120.016 120.200 0.002 0.000 2.869 1342 E HA 0.477 4.788 4.350 -0.065 0.000 0.207 1342 E C 0.962 177.564 176.600 0.003 0.000 0.986 1342 E CA 0.124 56.528 56.400 0.007 0.000 1.131 1342 E CB 0.547 30.251 29.700 0.006 0.000 1.098 1342 E HN 1.490 nan 8.360 nan 0.000 0.459 1343 G N 0.952 109.753 108.800 0.000 0.000 2.707 1343 G HA2 0.013 3.935 3.960 -0.065 0.000 0.686 1343 G HA3 0.013 3.935 3.960 -0.065 0.000 0.686 1343 G C -0.685 174.209 174.900 -0.011 0.000 1.315 1343 G CA -0.621 44.477 45.100 -0.004 0.000 0.832 1343 G HN 0.318 nan 8.290 nan 0.000 0.573 1344 A N 1.042 123.853 122.820 -0.014 0.000 2.288 1344 A HA 0.870 5.151 4.320 -0.065 0.000 0.320 1344 A C -1.399 176.172 177.584 -0.022 0.000 1.217 1344 A CA -0.984 51.043 52.037 -0.017 0.000 0.840 1344 A CB 0.473 19.465 19.000 -0.014 0.000 1.179 1344 A HN 0.851 nan 8.150 nan 0.000 0.504 1345 P HA 0.411 nan 4.420 nan 0.000 0.267 1345 P C -0.420 176.868 177.300 -0.020 0.000 1.200 1345 P CA 0.103 63.187 63.100 -0.025 0.000 0.772 1345 P CB 0.814 32.497 31.700 -0.029 0.000 0.855 1346 A N 2.521 125.333 122.820 -0.013 0.000 2.303 1346 A HA 0.489 4.770 4.320 -0.065 0.000 0.320 1346 A C -0.943 176.644 177.584 0.005 0.000 1.192 1346 A CA -0.582 51.453 52.037 -0.003 0.000 0.821 1346 A CB 0.416 19.417 19.000 0.002 0.000 1.188 1346 A HN 0.543 nan 8.150 nan 0.000 0.492 1347 L N 4.134 125.354 121.223 -0.004 0.000 2.282 1347 L HA 0.459 4.760 4.340 -0.065 0.000 0.287 1347 L C -0.169 176.716 176.870 0.025 0.000 1.075 1347 L CA 0.164 54.997 54.840 -0.012 0.000 0.839 1347 L CB 0.031 42.056 42.059 -0.057 0.000 1.219 1347 L HN 0.717 nan 8.230 nan 0.000 0.434 1348 M N 3.322 122.961 119.600 0.065 0.000 2.318 1348 M HA 0.335 4.776 4.480 -0.065 0.000 0.347 1348 M C 0.636 177.003 176.300 0.112 0.000 1.175 1348 M CA -0.625 54.740 55.300 0.109 0.000 1.075 1348 M CB 1.551 34.264 32.600 0.189 0.000 1.614 1348 M HN 0.673 nan 8.290 nan 0.000 0.456 1349 T N -0.326 114.302 114.554 0.123 0.000 2.860 1349 T HA 0.322 4.633 4.350 -0.065 0.000 0.299 1349 T C 1.194 175.997 174.700 0.172 0.000 1.045 1349 T CA -0.210 61.971 62.100 0.134 0.000 1.071 1349 T CB 1.045 70.010 68.868 0.162 0.000 0.985 1349 T HN 0.724 nan 8.240 nan 0.000 0.537 1350 A N 1.991 124.899 122.820 0.147 0.000 1.908 1350 A HA -0.017 4.265 4.320 -0.065 0.000 0.218 1350 A C 1.887 179.619 177.584 0.246 0.000 1.181 1350 A CA 1.704 53.834 52.037 0.155 0.000 0.627 1350 A CB -1.213 17.831 19.000 0.074 0.000 0.818 1350 A HN 0.935 nan 8.150 nan 0.000 0.445 1351 F N 0.121 120.142 119.950 0.119 0.000 2.075 1351 F HA -0.178 4.310 4.527 -0.065 0.000 0.297 1351 F C 2.206 178.084 175.800 0.130 0.000 1.113 1351 F CA 2.038 60.108 58.000 0.117 0.000 1.218 1351 F CB -0.252 38.798 39.000 0.083 0.000 0.984 1351 F HN 0.102 nan 8.300 nan 0.000 0.472 1352 M N -0.895 118.672 119.600 -0.055 0.000 2.229 1352 M HA -0.194 4.248 4.480 -0.065 0.000 0.264 1352 M C 2.134 178.387 176.300 -0.079 0.000 1.063 1352 M CA 1.316 56.515 55.300 -0.168 0.000 1.114 1352 M CB -1.732 30.892 32.600 0.039 0.000 1.387 1352 M HN 0.431 nan 8.290 nan 0.000 0.420 1353 Y N 1.234 121.501 120.300 -0.056 0.000 2.242 1353 Y HA -0.093 4.418 4.550 -0.065 0.000 0.291 1353 Y C 2.302 178.190 175.900 -0.020 0.000 1.137 1353 Y CA 1.796 59.898 58.100 0.003 0.000 1.181 1353 Y CB -0.194 38.329 38.460 0.105 0.000 0.989 1353 Y HN 0.197 nan 8.280 nan 0.000 0.527 1354 A N -0.163 122.694 122.820 0.060 0.000 2.125 1354 A HA -0.049 4.232 4.320 -0.065 0.000 0.219 1354 A C 2.237 179.735 177.584 -0.143 0.000 1.156 1354 A CA 1.427 53.458 52.037 -0.010 0.000 0.671 1354 A CB -1.386 17.660 19.000 0.077 0.000 0.794 1354 A HN 0.588 nan 8.150 nan 0.000 0.459 1355 G N -1.122 107.528 108.800 -0.250 0.000 2.939 1355 G HA2 0.377 4.298 3.960 -0.065 0.000 0.210 1355 G HA3 0.377 4.298 3.960 -0.065 0.000 0.210 1355 G C 0.450 175.244 174.900 -0.178 0.000 1.160 1355 G CA -0.183 44.780 45.100 -0.230 0.000 0.770 1355 G HN 0.381 nan 8.290 nan 0.000 0.543 1356 L N 1.025 122.118 121.223 -0.217 0.000 2.343 1356 L HA 0.675 4.976 4.340 -0.065 0.000 0.275 1356 L C 0.254 176.976 176.870 -0.246 0.000 1.056 1356 L CA -0.816 53.892 54.840 -0.221 0.000 0.804 1356 L CB 1.811 43.719 42.059 -0.251 0.000 1.203 1356 L HN 0.180 nan 8.230 nan 0.000 0.440 1357 M N 0.499 119.938 119.600 -0.268 0.000 2.644 1357 M HA 0.683 5.124 4.480 -0.065 0.000 0.304 1357 M C -2.737 173.272 176.300 -0.484 0.000 1.215 1357 M CA -2.073 52.964 55.300 -0.439 0.000 0.871 1357 M CB 1.369 33.692 32.600 -0.461 0.000 1.740 1357 M HN 0.125 nan 8.290 nan 0.000 0.464 1358 P HA 0.122 nan 4.420 nan 0.000 0.268 1358 P C -1.315 175.800 177.300 -0.308 0.000 1.204 1358 P CA 0.179 63.040 63.100 -0.399 0.000 0.768 1358 P CB 0.293 31.789 31.700 -0.339 0.000 0.842 1359 D N 2.331 122.642 120.400 -0.148 0.000 2.411 1359 D HA 0.050 4.651 4.640 -0.065 0.000 0.225 1359 D C 0.989 177.325 176.300 0.059 0.000 1.156 1359 D CA -0.350 53.623 54.000 -0.045 0.000 0.874 1359 D CB 0.705 41.498 40.800 -0.012 0.000 1.034 1359 D HN 0.047 nan 8.370 nan 0.000 0.502 1360 K N 3.654 124.073 120.400 0.032 0.000 2.103 1360 K HA -0.140 4.141 4.320 -0.065 0.000 0.207 1360 K C 1.462 178.116 176.600 0.089 0.000 1.048 1360 K CA 1.511 57.840 56.287 0.070 0.000 0.930 1360 K CB 0.142 32.678 32.500 0.061 0.000 0.716 1360 K HN 0.266 nan 8.250 nan 0.000 0.444 1361 K N -0.754 119.696 120.400 0.083 0.000 2.057 1361 K HA -0.138 4.143 4.320 -0.065 0.000 0.207 1361 K C 2.003 178.664 176.600 0.102 0.000 1.049 1361 K CA 1.554 57.888 56.287 0.078 0.000 0.931 1361 K CB -0.359 32.179 32.500 0.065 0.000 0.714 1361 K HN 0.157 nan 8.250 nan 0.000 0.440 1362 F N 2.154 122.115 119.950 0.017 0.000 2.025 1362 F HA -0.304 4.185 4.527 -0.065 0.000 0.297 1362 F C 2.180 178.025 175.800 0.076 0.000 1.132 1362 F CA 2.061 60.080 58.000 0.032 0.000 1.191 1362 F CB -0.807 38.186 39.000 -0.012 0.000 0.963 1362 F HN -0.051 nan 8.300 nan 0.000 0.481 1363 T N 0.772 115.441 114.554 0.191 0.000 2.592 1363 T HA -0.374 3.937 4.350 -0.065 0.000 0.267 1363 T C 1.938 176.653 174.700 0.024 0.000 1.060 1363 T CA 2.308 64.477 62.100 0.114 0.000 1.167 1363 T CB -0.560 68.407 68.868 0.164 0.000 0.863 1363 T HN 0.326 nan 8.240 nan 0.000 0.431 1364 K N 0.669 121.091 120.400 0.037 0.000 2.026 1364 K HA -0.160 4.121 4.320 -0.065 0.000 0.208 1364 K C 2.481 179.068 176.600 -0.023 0.000 1.048 1364 K CA 1.533 57.835 56.287 0.026 0.000 0.929 1364 K CB -0.123 32.400 32.500 0.039 0.000 0.713 1364 K HN 0.406 nan 8.250 nan 0.000 0.439 1365 Q N -0.961 118.805 119.800 -0.057 0.000 2.119 1365 Q HA -0.193 4.109 4.340 -0.065 0.000 0.201 1365 Q C 1.983 177.900 176.000 -0.140 0.000 0.972 1365 Q CA 1.657 57.410 55.803 -0.084 0.000 0.847 1365 Q CB -0.208 28.490 28.738 -0.066 0.000 0.903 1365 Q HN 0.431 nan 8.270 nan 0.000 0.433 1366 Y N 0.561 120.625 120.300 -0.393 0.000 2.181 1366 Y HA -0.217 4.294 4.550 -0.065 0.000 0.288 1366 Y C 2.037 177.808 175.900 -0.215 0.000 1.146 1366 Y CA 1.096 58.941 58.100 -0.425 0.000 1.164 1366 Y CB -0.154 37.821 38.460 -0.809 0.000 0.982 1366 Y HN -0.160 nan 8.280 nan 0.000 0.515 1367 V N 0.377 120.213 119.914 -0.130 0.000 2.427 1367 V HA -0.296 3.785 4.120 -0.065 0.000 0.248 1367 V C 2.621 178.625 176.094 -0.150 0.000 1.051 1367 V CA 1.699 63.923 62.300 -0.127 0.000 1.048 1367 V CB -1.325 30.509 31.823 0.018 0.000 0.666 1367 V HN 0.584 nan 8.190 nan 0.000 0.456 1368 A N 0.945 123.696 122.820 -0.115 0.000 1.972 1368 A HA -0.240 4.041 4.320 -0.065 0.000 0.219 1368 A C 2.333 179.842 177.584 -0.125 0.000 1.169 1368 A CA 2.005 53.989 52.037 -0.088 0.000 0.635 1368 A CB -0.463 18.500 19.000 -0.060 0.000 0.810 1368 A HN 0.698 nan 8.150 nan 0.000 0.446 1369 R N -0.583 119.802 120.500 -0.192 0.000 2.127 1369 R HA 0.197 4.499 4.340 -0.065 0.000 0.217 1369 R C 1.734 177.892 176.300 -0.236 0.000 1.074 1369 R CA 0.902 56.885 56.100 -0.195 0.000 0.991 1369 R CB -0.538 29.648 30.300 -0.191 0.000 0.895 1369 R HN 0.372 nan 8.270 nan 0.000 0.450 1370 L N 1.088 122.100 121.223 -0.352 0.000 2.127 1370 L HA -0.105 4.196 4.340 -0.065 0.000 0.211 1370 L C 1.174 177.953 176.870 -0.152 0.000 1.089 1370 L CA 1.609 56.274 54.840 -0.292 0.000 0.757 1370 L CB -0.194 41.653 42.059 -0.354 0.000 0.899 1370 L HN 0.414 nan 8.230 nan 0.000 0.434 1371 E N -0.817 119.310 120.200 -0.121 0.000 2.394 1371 E HA 0.178 4.489 4.350 -0.065 0.000 0.191 1371 E C 1.059 177.624 176.600 -0.058 0.000 1.044 1371 E CA 0.321 56.680 56.400 -0.068 0.000 0.939 1371 E CB 0.304 29.980 29.700 -0.040 0.000 1.089 1371 E HN 0.515 nan 8.360 nan 0.000 0.456 1372 G N 1.074 109.832 108.800 -0.070 0.000 2.536 1372 G HA2 -0.301 3.620 3.960 -0.065 0.000 0.277 1372 G HA3 -0.301 3.620 3.960 -0.065 0.000 0.277 1372 G C 0.076 174.947 174.900 -0.049 0.000 1.155 1372 G CA -0.073 44.994 45.100 -0.054 0.000 0.960 1372 G HN 0.595 nan 8.290 nan 0.000 0.544 1373 D N 0.000 120.378 120.400 -0.037 0.000 6.856 1373 D HA 0.000 4.601 4.640 -0.065 0.000 0.175 1373 D CA 0.000 nan 54.000 nan 0.000 0.868 1373 D CB 0.000 nan 40.800 nan 0.000 0.688 1373 D HN 0.000 nan 8.370 nan 0.000 0.683