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 2xcr_1_D DATA FIRST_RESID 416 DATA SEQUENCE GKLADCSSKS PEECEIFLVE GDSAGGSTKS GRDSRTQAIL PLRGKILNVE DATA SEQUENCE KARLDRILNN NEIRQMITAF GTGIGGDFDL AKARYHKIVI MTDADVDGAH DATA SEQUENCE IRTLLLTFFY RFMRPLIEAG YVYIAQPPLY KLTQGKQKYY VYNDRELDKL DATA SEQUENCE KSELNPTPKW SIARYKGLGE MNADQLWETT MNPEHRALLQ VKLEDAIEAD DATA SEQUENCE QTFEMLMGDV VENRRQFIED NAVYANLDFX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXAELP QSRINERNIT DATA SEQUENCE SEMRESFLDY AMSVIVARAL PDVRDGLKPV HRRILYGLNE QGMTPDKSYK DATA SEQUENCE KSARIVGDVM GKYHPHGDSS IYEAMVRMAQ DFSYRYPLVD GQGNFGSMDG DATA SEQUENCE DGAAAMRFTE ARMTKITLEL LRDINKDTID FIDNYDGNER EPSVLPARFP DATA SEQUENCE NLLANGASGI AVGMATNIPP HNLTELINGV LSLSKNPDIS IAELMEDIEG DATA SEQUENCE PDFPTAGLIL GKSGIRRAYE TGRGSIQMRS RAVIEERGGG RQRIVVTEIP DATA SEQUENCE FQVNKARMIE KIAELVRDKK IDGITDLRDE TSLRTGVRVV IDVRKDANAS DATA SEQUENCE VILNNLYKQT PLQTSFGVNM IALVNGRPKL INLKEALVHY LEHQKTVVRR DATA SEQUENCE RTQYNLRKAK DRAHILEGLR IALDHIDEII STIRESDTDK VAMESLQQRF DATA SEQUENCE KLSEKQAQAI LDMRLRRLTG LERDKIEAEY NELLNYISEL ETILADEEVL DATA SEQUENCE LQLVRDELTE IRDRFGDDRR TEIQLG 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 416 G HA2 0.000 nan 3.960 nan 0.000 0.244 416 G HA3 0.000 3.956 3.960 -0.006 0.000 0.244 416 G C 0.000 174.903 174.900 0.006 0.000 0.946 416 G CA 0.000 45.103 45.100 0.004 0.000 0.502 417 K N -1.616 118.788 120.400 0.007 0.000 2.971 417 K HA -0.092 4.225 4.320 -0.006 0.000 0.265 417 K C 0.411 177.022 176.600 0.019 0.000 1.052 417 K CA 2.074 58.367 56.287 0.009 0.000 0.780 417 K CB -2.021 30.479 32.500 -0.001 0.000 1.214 417 K HN 2.146 nan 8.250 nan 0.000 0.478 418 L N -1.077 120.164 121.223 0.030 0.000 2.404 418 L HA 0.775 5.112 4.340 -0.006 0.000 0.272 418 L C -0.067 176.839 176.870 0.060 0.000 0.980 418 L CA 0.052 54.921 54.840 0.048 0.000 0.836 418 L CB 1.607 43.699 42.059 0.056 0.000 1.238 418 L HN 0.589 nan 8.230 nan 0.000 0.408 419 A N 4.495 127.354 122.820 0.065 0.000 2.798 419 A HA 0.297 4.613 4.320 -0.006 0.000 0.316 419 A C 0.183 177.819 177.584 0.088 0.000 1.506 419 A CA -0.490 51.587 52.037 0.067 0.000 1.162 419 A CB -0.251 18.785 19.000 0.060 0.000 1.138 419 A HN 0.823 nan 8.150 nan 0.000 0.532 420 D N 0.862 121.322 120.400 0.100 0.000 2.393 420 D HA 0.336 4.973 4.640 -0.006 0.000 0.246 420 D C 0.522 176.892 176.300 0.117 0.000 1.275 420 D CA 0.164 54.248 54.000 0.139 0.000 0.979 420 D CB 1.170 42.060 40.800 0.149 0.000 1.101 420 D HN 0.637 nan 8.370 nan 0.000 0.505 421 C N -1.224 118.161 119.300 0.141 0.000 2.423 421 C HA 0.612 5.069 4.460 -0.006 0.000 0.378 421 C C 2.002 177.045 174.990 0.088 0.000 1.244 421 C CA -0.627 58.458 59.018 0.113 0.000 1.978 421 C CB 0.734 28.554 27.740 0.134 0.000 2.252 421 C HN 0.559 nan 8.230 nan 0.000 0.526 422 S N 0.601 116.342 115.700 0.067 0.000 2.361 422 S HA -0.083 4.384 4.470 -0.006 0.000 0.214 422 S C 1.104 175.731 174.600 0.045 0.000 1.034 422 S CA 1.383 59.611 58.200 0.047 0.000 1.025 422 S CB -0.497 62.724 63.200 0.035 0.000 0.996 422 S HN 0.887 nan 8.310 nan 0.000 0.422 423 S N 1.608 117.337 115.700 0.047 0.000 2.533 423 S HA 0.107 4.574 4.470 -0.006 0.000 0.282 423 S C 0.066 174.686 174.600 0.034 0.000 1.304 423 S CA -0.127 58.093 58.200 0.034 0.000 1.063 423 S CB 0.120 63.339 63.200 0.032 0.000 0.881 423 S HN 0.099 nan 8.310 nan 0.000 0.493 424 K N 3.242 123.649 120.400 0.012 0.000 3.147 424 K HA 0.248 4.564 4.320 -0.006 0.000 0.214 424 K C -0.585 176.002 176.600 -0.021 0.000 1.221 424 K CA -0.054 56.228 56.287 -0.007 0.000 1.117 424 K CB 0.560 33.053 32.500 -0.012 0.000 1.278 424 K HN 0.322 nan 8.250 nan 0.000 0.479 425 S N 1.480 117.170 115.700 -0.017 0.000 2.539 425 S HA 0.300 4.766 4.470 -0.006 0.000 0.235 425 S C -1.873 172.699 174.600 -0.047 0.000 1.326 425 S CA -1.565 56.613 58.200 -0.036 0.000 1.183 425 S CB 0.911 64.091 63.200 -0.033 0.000 1.073 425 S HN 0.022 nan 8.310 nan 0.000 0.480 426 P HA -0.213 nan 4.420 nan 0.000 0.219 426 P C 0.682 177.918 177.300 -0.106 0.000 1.159 426 P CA 1.565 64.648 63.100 -0.028 0.000 0.944 426 P CB 0.122 31.825 31.700 0.004 0.000 0.792 427 E N -1.146 118.824 120.200 -0.382 0.000 2.533 427 E HA -0.147 4.199 4.350 -0.006 0.000 0.201 427 E C 1.442 177.951 176.600 -0.152 0.000 1.097 427 E CA 0.797 56.903 56.400 -0.490 0.000 0.887 427 E CB -0.635 28.752 29.700 -0.523 0.000 0.855 427 E HN 0.635 nan 8.360 nan 0.000 0.540 428 E N -1.894 118.266 120.200 -0.067 0.000 2.572 428 E HA 0.133 4.479 4.350 -0.006 0.000 0.220 428 E C -0.211 176.405 176.600 0.027 0.000 0.945 428 E CA -0.169 56.220 56.400 -0.019 0.000 1.070 428 E CB 0.249 29.938 29.700 -0.018 0.000 1.090 428 E HN -0.018 nan 8.360 nan 0.000 0.506 429 C N 2.898 122.245 119.300 0.079 0.000 2.303 429 C HA 0.421 4.877 4.460 -0.006 0.000 0.326 429 C C -0.465 174.649 174.990 0.207 0.000 1.285 429 C CA -0.595 58.517 59.018 0.156 0.000 1.675 429 C CB 0.262 28.139 27.740 0.228 0.000 2.289 429 C HN 0.392 nan 8.230 nan 0.000 0.512 430 E N 3.299 123.508 120.200 0.015 0.000 2.199 430 E HA 0.648 4.995 4.350 -0.006 0.000 0.269 430 E C -1.115 175.160 176.600 -0.542 0.000 0.899 430 E CA -0.560 55.708 56.400 -0.220 0.000 0.772 430 E CB 2.190 31.689 29.700 -0.334 0.000 1.155 430 E HN 0.658 nan 8.360 nan 0.000 0.408 431 I N 3.510 123.657 120.570 -0.705 0.000 2.406 431 I HA 0.358 4.524 4.170 -0.006 0.000 0.290 431 I C -1.309 174.524 176.117 -0.473 0.000 0.999 431 I CA -0.946 59.916 61.300 -0.730 0.000 1.124 431 I CB 0.574 37.977 38.000 -0.995 0.000 1.289 431 I HN 0.550 nan 8.210 nan 0.000 0.441 432 F N 6.807 126.736 119.950 -0.036 0.000 2.371 432 F HA 0.411 4.935 4.527 -0.005 0.000 0.329 432 F C -0.321 175.524 175.800 0.076 0.000 1.107 432 F CA -0.609 57.417 58.000 0.043 0.000 1.137 432 F CB 0.959 39.984 39.000 0.042 0.000 1.214 432 F HN 0.241 nan 8.300 nan 0.000 0.536 433 L N 3.468 124.882 121.223 0.318 0.000 2.353 433 L HA 0.453 4.789 4.340 -0.006 0.000 0.270 433 L C -0.340 176.643 176.870 0.189 0.000 1.003 433 L CA -0.564 54.414 54.840 0.231 0.000 0.862 433 L CB 1.161 43.374 42.059 0.257 0.000 1.221 433 L HN 0.441 nan 8.230 nan 0.000 0.430 434 V N -0.723 119.275 119.914 0.140 0.000 2.997 434 V HA 0.465 4.582 4.120 -0.006 0.000 0.311 434 V C 1.085 177.218 176.094 0.066 0.000 1.066 434 V CA -0.381 61.973 62.300 0.091 0.000 1.039 434 V CB 1.480 33.340 31.823 0.061 0.000 1.081 434 V HN 0.765 nan 8.190 nan 0.000 0.467 435 E N 2.058 122.288 120.200 0.050 0.000 2.031 435 E HA 0.137 4.483 4.350 -0.006 0.000 0.193 435 E C 0.925 177.541 176.600 0.027 0.000 0.994 435 E CA 1.567 57.989 56.400 0.037 0.000 0.800 435 E CB -0.044 29.676 29.700 0.034 0.000 0.752 435 E HN 0.986 nan 8.360 nan 0.000 0.447 436 G N -0.750 108.065 108.800 0.025 0.000 2.695 436 G HA2 0.164 4.121 3.960 -0.006 0.000 0.290 436 G HA3 0.164 4.121 3.960 -0.006 0.000 0.290 436 G C -0.884 174.027 174.900 0.019 0.000 1.410 436 G CA -0.519 44.593 45.100 0.019 0.000 0.844 436 G HN -0.140 nan 8.290 nan 0.000 0.478 437 D N 0.007 120.417 120.400 0.015 0.000 2.190 437 D HA -0.113 4.523 4.640 -0.006 0.000 0.200 437 D C 2.503 178.810 176.300 0.013 0.000 0.992 437 D CA 1.868 55.877 54.000 0.015 0.000 0.854 437 D CB 0.263 41.070 40.800 0.012 0.000 0.936 437 D HN 0.223 nan 8.370 nan 0.000 0.462 438 S N -0.343 115.364 115.700 0.011 0.000 2.353 438 S HA -0.143 4.323 4.470 -0.006 0.000 0.222 438 S C 1.924 176.528 174.600 0.005 0.000 1.035 438 S CA 1.314 59.519 58.200 0.008 0.000 1.025 438 S CB -0.195 63.011 63.200 0.009 0.000 0.902 438 S HN 0.415 nan 8.310 nan 0.000 0.440 439 A N 0.331 123.154 122.820 0.005 0.000 2.275 439 A HA 0.445 4.761 4.320 -0.006 0.000 0.212 439 A C 1.681 179.265 177.584 -0.001 0.000 1.201 439 A CA 0.573 52.609 52.037 -0.003 0.000 0.843 439 A CB -0.243 18.754 19.000 -0.005 0.000 0.873 439 A HN 0.463 nan 8.150 nan 0.000 0.492 440 G N -1.122 107.685 108.800 0.011 0.000 3.262 440 G HA2 0.360 4.317 3.960 -0.006 0.000 0.228 440 G HA3 0.360 4.317 3.960 -0.006 0.000 0.228 440 G C 0.826 175.738 174.900 0.021 0.000 1.197 440 G CA 0.816 45.929 45.100 0.022 0.000 0.819 440 G HN 0.615 nan 8.290 nan 0.000 0.531 441 G N -0.799 108.007 108.800 0.010 0.000 2.797 441 G HA2 0.122 4.079 3.960 -0.006 0.000 0.209 441 G HA3 0.122 4.079 3.960 -0.006 0.000 0.209 441 G C 1.369 176.270 174.900 0.002 0.000 1.080 441 G CA 0.595 45.700 45.100 0.010 0.000 0.897 441 G HN 0.227 nan 8.290 nan 0.000 0.641 442 S N 0.733 116.430 115.700 -0.006 0.000 2.481 442 S HA -0.019 4.447 4.470 -0.006 0.000 0.231 442 S C 2.299 176.891 174.600 -0.013 0.000 0.996 442 S CA 1.495 59.687 58.200 -0.014 0.000 0.942 442 S CB 0.060 63.242 63.200 -0.028 0.000 0.768 442 S HN 0.403 nan 8.310 nan 0.000 0.520 443 T N 1.685 116.232 114.554 -0.012 0.000 3.004 443 T HA 0.100 4.446 4.350 -0.006 0.000 0.243 443 T C 1.644 176.359 174.700 0.025 0.000 1.020 443 T CA 0.397 62.488 62.100 -0.014 0.000 1.145 443 T CB -0.055 68.788 68.868 -0.041 0.000 0.876 443 T HN 0.304 nan 8.240 nan 0.000 0.449 444 K N 1.597 122.016 120.400 0.031 0.000 2.211 444 K HA 0.008 4.325 4.320 -0.006 0.000 0.204 444 K C 2.133 178.743 176.600 0.016 0.000 1.047 444 K CA 1.110 57.419 56.287 0.036 0.000 0.935 444 K CB -0.099 32.419 32.500 0.031 0.000 0.728 444 K HN 0.124 nan 8.250 nan 0.000 0.452 445 S N -0.427 115.276 115.700 0.006 0.000 2.517 445 S HA 0.058 4.524 4.470 -0.006 0.000 0.214 445 S C 1.622 176.209 174.600 -0.021 0.000 0.991 445 S CA 0.365 58.558 58.200 -0.011 0.000 0.906 445 S CB 0.699 63.893 63.200 -0.009 0.000 0.789 445 S HN 0.538 nan 8.310 nan 0.000 0.513 446 G N 2.228 111.033 108.800 0.010 0.000 2.510 446 G HA2 0.025 3.982 3.960 -0.006 0.000 0.212 446 G HA3 0.025 3.982 3.960 -0.006 0.000 0.212 446 G C 0.577 175.487 174.900 0.017 0.000 1.151 446 G CA -0.450 44.677 45.100 0.045 0.000 0.817 446 G HN 0.533 nan 8.290 nan 0.000 0.534 447 R N 0.469 121.012 120.500 0.072 0.000 2.905 447 R HA 0.165 4.502 4.340 -0.006 0.000 0.273 447 R C -0.811 175.463 176.300 -0.044 0.000 1.033 447 R CA 0.164 56.346 56.100 0.138 0.000 1.182 447 R CB 0.278 30.685 30.300 0.179 0.000 1.097 447 R HN -0.018 nan 8.270 nan 0.000 0.504 448 D N 0.417 120.851 120.400 0.057 0.000 2.499 448 D HA 0.066 4.703 4.640 -0.006 0.000 0.225 448 D C 0.407 176.740 176.300 0.055 0.000 1.124 448 D CA -0.382 53.606 54.000 -0.020 0.000 0.938 448 D CB 0.617 41.468 40.800 0.084 0.000 1.014 448 D HN 0.620 nan 8.370 nan 0.000 0.517 449 S N 2.959 118.673 115.700 0.022 0.000 2.462 449 S HA -0.267 4.200 4.470 -0.006 0.000 0.243 449 S C 1.868 176.500 174.600 0.053 0.000 1.003 449 S CA 0.583 58.810 58.200 0.046 0.000 0.970 449 S CB -0.122 63.093 63.200 0.024 0.000 0.762 449 S HN 0.561 nan 8.310 nan 0.000 0.510 450 R N 1.958 122.483 120.500 0.042 0.000 2.082 450 R HA -0.142 4.194 4.340 -0.006 0.000 0.234 450 R C 2.082 178.423 176.300 0.068 0.000 1.136 450 R CA 2.189 58.316 56.100 0.045 0.000 0.935 450 R CB -0.738 29.581 30.300 0.033 0.000 0.842 450 R HN 0.642 nan 8.270 nan 0.000 0.430 451 T N -2.863 111.743 114.554 0.086 0.000 3.010 451 T HA 0.205 4.551 4.350 -0.006 0.000 0.257 451 T C 0.420 175.181 174.700 0.101 0.000 1.020 451 T CA -0.350 61.806 62.100 0.093 0.000 0.938 451 T CB 0.499 69.415 68.868 0.080 0.000 1.049 451 T HN 0.184 nan 8.240 nan 0.000 0.522 452 Q N 1.305 121.182 119.800 0.128 0.000 2.348 452 Q HA 0.712 5.049 4.340 -0.006 0.000 0.265 452 Q C -1.092 174.981 176.000 0.122 0.000 0.998 452 Q CA -0.666 55.219 55.803 0.137 0.000 0.831 452 Q CB 1.873 30.816 28.738 0.341 0.000 1.251 452 Q HN 0.497 nan 8.270 nan 0.000 0.456 453 A N 3.961 126.773 122.820 -0.012 0.000 2.305 453 A HA 0.674 4.991 4.320 -0.006 0.000 0.322 453 A C -0.578 177.013 177.584 0.013 0.000 1.187 453 A CA -0.547 51.485 52.037 -0.009 0.000 0.825 453 A CB 0.552 19.499 19.000 -0.087 0.000 1.164 453 A HN 0.760 nan 8.150 nan 0.000 0.498 454 I N 2.098 122.729 120.570 0.102 0.000 2.441 454 I HA 0.409 4.575 4.170 -0.006 0.000 0.295 454 I C -0.798 175.372 176.117 0.088 0.000 0.994 454 I CA -0.689 60.696 61.300 0.142 0.000 1.144 454 I CB 1.901 39.990 38.000 0.149 0.000 1.314 454 I HN 0.544 nan 8.210 nan 0.000 0.445 455 L N 9.095 130.373 121.223 0.092 0.000 2.427 455 L HA 0.655 4.991 4.340 -0.006 0.000 0.264 455 L C -2.754 174.156 176.870 0.065 0.000 0.989 455 L CA -1.805 53.074 54.840 0.065 0.000 0.865 455 L CB 1.155 43.242 42.059 0.046 0.000 1.209 455 L HN 0.204 nan 8.230 nan 0.000 0.430 456 P HA 0.291 nan 4.420 nan 0.000 0.271 456 P C -0.174 177.138 177.300 0.020 0.000 1.218 456 P CA -0.107 63.016 63.100 0.039 0.000 0.780 456 P CB 0.983 32.700 31.700 0.029 0.000 0.901 457 L N 2.895 124.129 121.223 0.018 0.000 2.718 457 L HA 0.492 4.828 4.340 -0.006 0.000 0.166 457 L C 0.937 177.804 176.870 -0.006 0.000 1.893 457 L CA -0.476 54.361 54.840 -0.006 0.000 2.845 457 L CB 0.156 42.210 42.059 -0.008 0.000 2.993 457 L HN 0.213 nan 8.230 nan 0.000 0.684 458 R N -0.474 120.020 120.500 -0.010 0.000 2.714 458 R HA 0.329 4.666 4.340 -0.006 0.000 0.214 458 R C -0.585 175.715 176.300 -0.001 0.000 1.474 458 R CA 0.270 56.367 56.100 -0.004 0.000 1.435 458 R CB 0.893 31.186 30.300 -0.011 0.000 1.517 458 R HN 0.794 nan 8.270 nan 0.000 0.748 459 G N 1.731 110.536 108.800 0.008 0.000 2.804 459 G HA2 -0.290 3.666 3.960 -0.006 0.000 0.230 459 G HA3 -0.290 3.666 3.960 -0.006 0.000 0.230 459 G C -0.807 174.095 174.900 0.004 0.000 1.386 459 G CA -0.883 44.226 45.100 0.015 0.000 0.875 459 G HN 0.217 nan 8.290 nan 0.000 0.557 460 K N 0.089 120.499 120.400 0.017 0.000 2.513 460 K HA 0.045 4.361 4.320 -0.006 0.000 0.275 460 K C 1.088 177.675 176.600 -0.022 0.000 1.025 460 K CA 1.174 57.465 56.287 0.006 0.000 1.125 460 K CB -0.282 32.249 32.500 0.052 0.000 0.843 460 K HN 0.948 nan 8.250 nan 0.000 0.486 461 I N -0.052 120.485 120.570 -0.056 0.000 2.676 461 I HA 0.394 4.560 4.170 -0.006 0.000 0.309 461 I C 0.426 176.498 176.117 -0.076 0.000 0.990 461 I CA -1.525 59.725 61.300 -0.083 0.000 1.168 461 I CB 1.064 38.981 38.000 -0.138 0.000 1.343 461 I HN 0.519 nan 8.210 nan 0.000 0.482 462 L N 1.760 122.937 121.223 -0.076 0.000 2.467 462 L HA 0.347 4.684 4.340 -0.006 0.000 0.270 462 L C 0.130 176.987 176.870 -0.021 0.000 1.205 462 L CA -0.139 54.680 54.840 -0.036 0.000 0.828 462 L CB 0.285 42.326 42.059 -0.030 0.000 1.101 462 L HN 0.699 nan 8.230 nan 0.000 0.479 463 N N 2.524 121.232 118.700 0.014 0.000 2.448 463 N HA 0.071 4.807 4.740 -0.006 0.000 0.250 463 N C 0.709 176.255 175.510 0.060 0.000 1.136 463 N CA -0.096 52.974 53.050 0.035 0.000 0.953 463 N CB 1.076 39.599 38.487 0.059 0.000 1.251 463 N HN 0.687 nan 8.380 nan 0.000 0.502 464 V N 1.053 121.021 119.914 0.091 0.000 3.444 464 V HA 0.037 4.153 4.120 -0.006 0.000 0.271 464 V C 1.529 177.702 176.094 0.132 0.000 1.188 464 V CA 0.955 63.358 62.300 0.172 0.000 1.168 464 V CB -0.558 31.494 31.823 0.383 0.000 0.810 464 V HN 0.450 nan 8.190 nan 0.000 0.500 465 E N 1.697 121.932 120.200 0.058 0.000 2.099 465 E HA 0.022 4.368 4.350 -0.006 0.000 0.191 465 E C 1.924 178.554 176.600 0.050 0.000 0.962 465 E CA 0.913 57.333 56.400 0.033 0.000 0.826 465 E CB -0.179 29.527 29.700 0.010 0.000 0.788 465 E HN 0.566 nan 8.360 nan 0.000 0.461 466 K N 0.345 120.777 120.400 0.054 0.000 2.665 466 K HA 0.161 4.478 4.320 -0.006 0.000 0.196 466 K C -0.384 176.247 176.600 0.052 0.000 1.021 466 K CA 0.305 56.623 56.287 0.051 0.000 1.066 466 K CB 0.219 32.753 32.500 0.056 0.000 0.849 466 K HN 0.082 nan 8.250 nan 0.000 0.500 467 A N 1.291 124.150 122.820 0.064 0.000 2.365 467 A HA 0.483 4.799 4.320 -0.006 0.000 0.318 467 A C -0.659 176.966 177.584 0.067 0.000 1.091 467 A CA -0.925 51.150 52.037 0.062 0.000 0.763 467 A CB 0.829 19.872 19.000 0.071 0.000 1.248 467 A HN 0.215 nan 8.150 nan 0.000 0.442 468 R N 1.364 121.893 120.500 0.047 0.000 2.390 468 R HA 0.257 4.593 4.340 -0.006 0.000 0.291 468 R C 1.166 177.493 176.300 0.045 0.000 1.070 468 R CA -0.667 55.459 56.100 0.044 0.000 1.014 468 R CB 0.512 30.828 30.300 0.027 0.000 1.007 468 R HN 0.737 nan 8.270 nan 0.000 0.466 469 L N 3.240 124.497 121.223 0.056 0.000 2.010 469 L HA -0.301 4.035 4.340 -0.006 0.000 0.219 469 L C 1.541 178.409 176.870 -0.004 0.000 1.077 469 L CA 2.406 57.273 54.840 0.046 0.000 0.773 469 L CB -0.621 41.470 42.059 0.054 0.000 0.892 469 L HN 0.849 nan 8.230 nan 0.000 0.436 470 D N -1.321 119.078 120.400 -0.003 0.000 2.351 470 D HA -0.236 4.401 4.640 -0.006 0.000 0.216 470 D C 2.095 178.379 176.300 -0.027 0.000 0.968 470 D CA 1.256 55.246 54.000 -0.017 0.000 0.899 470 D CB -0.368 40.426 40.800 -0.009 0.000 0.907 470 D HN 0.490 nan 8.370 nan 0.000 0.514 471 R N 0.630 121.118 120.500 -0.022 0.000 2.057 471 R HA 0.165 4.502 4.340 -0.006 0.000 0.224 471 R C 2.288 178.558 176.300 -0.051 0.000 1.136 471 R CA 0.908 56.992 56.100 -0.027 0.000 0.968 471 R CB -0.390 29.904 30.300 -0.011 0.000 0.863 471 R HN 0.238 nan 8.270 nan 0.000 0.433 472 I N 1.080 121.612 120.570 -0.063 0.000 2.454 472 I HA -0.203 3.963 4.170 -0.006 0.000 0.254 472 I C 1.230 177.262 176.117 -0.142 0.000 1.156 472 I CA 1.038 62.271 61.300 -0.112 0.000 1.433 472 I CB -0.375 37.542 38.000 -0.137 0.000 1.082 472 I HN 0.115 nan 8.210 nan 0.000 0.432 473 L N 0.728 121.880 121.223 -0.120 0.000 2.675 473 L HA 0.059 4.396 4.340 -0.006 0.000 0.239 473 L C 0.884 177.707 176.870 -0.078 0.000 1.151 473 L CA 0.549 55.327 54.840 -0.104 0.000 0.905 473 L CB -0.764 41.243 42.059 -0.086 0.000 1.057 473 L HN 0.248 nan 8.230 nan 0.000 0.435 474 N N -1.399 117.255 118.700 -0.077 0.000 2.036 474 N HA 0.013 4.749 4.740 -0.006 0.000 0.228 474 N C 0.035 175.505 175.510 -0.066 0.000 1.368 474 N CA -0.094 52.920 53.050 -0.061 0.000 0.846 474 N CB 0.464 38.925 38.487 -0.045 0.000 1.145 474 N HN 0.138 nan 8.380 nan 0.000 0.502 475 N N 0.561 119.209 118.700 -0.087 0.000 2.525 475 N HA 0.050 4.786 4.740 -0.006 0.000 0.271 475 N C 0.618 176.067 175.510 -0.101 0.000 1.194 475 N CA 0.352 53.345 53.050 -0.094 0.000 0.964 475 N CB 0.923 39.337 38.487 -0.121 0.000 1.126 475 N HN 0.149 nan 8.380 nan 0.000 0.452 476 N N 1.643 120.291 118.700 -0.088 0.000 2.148 476 N HA -0.092 4.645 4.740 -0.006 0.000 0.186 476 N C 0.518 175.967 175.510 -0.102 0.000 1.031 476 N CA 0.958 53.960 53.050 -0.080 0.000 0.848 476 N CB 0.177 38.628 38.487 -0.059 0.000 1.005 476 N HN 0.593 nan 8.380 nan 0.000 0.427 477 E N -0.281 119.848 120.200 -0.119 0.000 2.511 477 E HA 0.021 4.368 4.350 -0.006 0.000 0.196 477 E C 1.018 177.486 176.600 -0.219 0.000 1.066 477 E CA 0.206 56.520 56.400 -0.142 0.000 0.871 477 E CB 0.292 29.916 29.700 -0.127 0.000 0.863 477 E HN 0.419 nan 8.360 nan 0.000 0.520 478 I N -0.216 120.200 120.570 -0.257 0.000 2.556 478 I HA -0.025 4.141 4.170 -0.006 0.000 0.251 478 I C 1.971 177.950 176.117 -0.229 0.000 1.105 478 I CA 0.760 61.837 61.300 -0.372 0.000 1.436 478 I CB -0.717 37.010 38.000 -0.455 0.000 1.139 478 I HN 0.061 nan 8.210 nan 0.000 0.438 479 R N 0.574 120.977 120.500 -0.162 0.000 2.211 479 R HA -0.214 4.122 4.340 -0.006 0.000 0.240 479 R C 2.127 178.363 176.300 -0.106 0.000 1.144 479 R CA 1.242 57.277 56.100 -0.108 0.000 0.992 479 R CB -0.138 30.110 30.300 -0.087 0.000 0.869 479 R HN 0.494 nan 8.270 nan 0.000 0.462 480 Q N -0.118 119.605 119.800 -0.128 0.000 2.096 480 Q HA -0.032 4.304 4.340 -0.006 0.000 0.197 480 Q C 2.039 177.935 176.000 -0.173 0.000 0.964 480 Q CA 1.046 56.778 55.803 -0.119 0.000 0.838 480 Q CB 0.200 28.876 28.738 -0.103 0.000 0.906 480 Q HN 0.296 nan 8.270 nan 0.000 0.444 481 M N -0.205 119.247 119.600 -0.246 0.000 2.156 481 M HA -0.127 4.349 4.480 -0.006 0.000 0.264 481 M C 2.048 178.018 176.300 -0.549 0.000 1.067 481 M CA 1.141 56.154 55.300 -0.477 0.000 1.131 481 M CB -0.166 32.195 32.600 -0.398 0.000 1.368 481 M HN 0.228 nan 8.290 nan 0.000 0.416 482 I N 0.135 120.601 120.570 -0.173 0.000 2.236 482 I HA -0.338 3.828 4.170 -0.006 0.000 0.249 482 I C 2.221 178.320 176.117 -0.031 0.000 1.102 482 I CA 1.509 62.807 61.300 -0.003 0.000 1.365 482 I CB -0.521 37.504 38.000 0.041 0.000 1.051 482 I HN 0.374 nan 8.210 nan 0.000 0.420 483 T N 0.317 114.827 114.554 -0.073 0.000 2.770 483 T HA -0.064 4.282 4.350 -0.006 0.000 0.263 483 T C 2.069 176.762 174.700 -0.012 0.000 1.039 483 T CA 1.211 63.289 62.100 -0.037 0.000 1.142 483 T CB -0.379 68.466 68.868 -0.038 0.000 0.868 483 T HN 0.458 nan 8.240 nan 0.000 0.435 484 A N 1.375 124.171 122.820 -0.040 0.000 1.902 484 A HA -0.003 4.313 4.320 -0.006 0.000 0.217 484 A C 1.970 179.713 177.584 0.264 0.000 1.181 484 A CA 1.295 53.387 52.037 0.092 0.000 0.623 484 A CB -0.912 18.144 19.000 0.094 0.000 0.818 484 A HN 0.382 nan 8.150 nan 0.000 0.443 485 F N -0.434 119.617 119.950 0.168 0.000 2.051 485 F HA 0.195 4.718 4.527 -0.006 0.000 0.296 485 F C 2.143 177.926 175.800 -0.028 0.000 1.122 485 F CA 0.670 58.733 58.000 0.105 0.000 1.201 485 F CB -1.437 37.633 39.000 0.117 0.000 0.978 485 F HN 0.446 nan 8.300 nan 0.000 0.472 486 G N -0.338 108.549 108.800 0.145 0.000 2.248 486 G HA2 -0.229 3.727 3.960 -0.006 0.000 0.252 486 G HA3 -0.229 3.727 3.960 -0.006 0.000 0.252 486 G C 0.665 175.525 174.900 -0.067 0.000 1.085 486 G CA 0.685 45.793 45.100 0.012 0.000 0.845 486 G HN 0.598 nan 8.290 nan 0.000 0.494 487 T N -3.137 111.350 114.554 -0.112 0.000 2.959 487 T HA 0.577 4.923 4.350 -0.006 0.000 0.254 487 T C 1.948 176.419 174.700 -0.382 0.000 1.003 487 T CA 1.355 63.233 62.100 -0.370 0.000 0.950 487 T CB 1.085 69.532 68.868 -0.702 0.000 1.090 487 T HN 2.375 nan 8.240 nan 0.000 0.503 488 G N 2.079 110.784 108.800 -0.158 0.000 2.681 488 G HA2 0.151 4.107 3.960 -0.006 0.000 0.220 488 G HA3 0.151 4.107 3.960 -0.006 0.000 0.220 488 G C -0.920 174.018 174.900 0.063 0.000 1.353 488 G CA -0.319 44.747 45.100 -0.057 0.000 0.872 488 G HN 1.324 nan 8.290 nan 0.000 0.557 489 I N -3.312 117.350 120.570 0.153 0.000 2.827 489 I HA 0.836 5.002 4.170 -0.006 0.000 0.298 489 I C 1.166 177.429 176.117 0.243 0.000 1.235 489 I CA 0.329 61.800 61.300 0.284 0.000 1.021 489 I CB 1.150 39.259 38.000 0.182 0.000 1.259 489 I HN 2.635 nan 8.210 nan 0.000 0.427 490 G N 3.099 112.049 108.800 0.251 0.000 2.646 490 G HA2 -0.267 3.689 3.960 -0.006 0.000 0.324 490 G HA3 -0.267 3.689 3.960 -0.006 0.000 0.324 490 G C 0.943 175.910 174.900 0.113 0.000 1.195 490 G CA 1.100 46.286 45.100 0.144 0.000 0.976 490 G HN 1.669 nan 8.290 nan 0.000 0.546 491 G N -0.746 108.107 108.800 0.088 0.000 2.471 491 G HA2 0.185 4.142 3.960 -0.006 0.000 0.219 491 G HA3 0.185 4.142 3.960 -0.006 0.000 0.219 491 G C 1.019 175.963 174.900 0.075 0.000 1.125 491 G CA 1.702 46.840 45.100 0.063 0.000 0.775 491 G HN 0.584 nan 8.290 nan 0.000 0.548 492 D N -1.027 119.428 120.400 0.093 0.000 2.462 492 D HA 0.167 4.803 4.640 -0.006 0.000 0.221 492 D C -0.352 176.005 176.300 0.094 0.000 1.173 492 D CA -0.862 53.182 54.000 0.073 0.000 0.831 492 D CB -0.127 40.696 40.800 0.038 0.000 1.001 492 D HN 0.195 nan 8.370 nan 0.000 0.499 493 F N 1.734 121.680 119.950 -0.007 0.000 2.519 493 F HA 0.120 4.643 4.527 -0.006 0.000 0.375 493 F C 0.278 176.060 175.800 -0.030 0.000 1.084 493 F CA -0.181 57.809 58.000 -0.017 0.000 1.147 493 F CB 0.413 39.396 39.000 -0.029 0.000 1.088 493 F HN -0.242 nan 8.300 nan 0.000 0.555 494 D N 5.642 125.892 120.400 -0.251 0.000 2.308 494 D HA 0.156 4.792 4.640 -0.006 0.000 0.242 494 D C 0.324 176.453 176.300 -0.285 0.000 1.059 494 D CA -0.470 53.445 54.000 -0.142 0.000 0.830 494 D CB 1.726 42.467 40.800 -0.099 0.000 1.161 494 D HN 0.610 nan 8.370 nan 0.000 0.494 495 L N 3.884 125.060 121.223 -0.078 0.000 2.375 495 L HA 0.341 4.677 4.340 -0.006 0.000 0.215 495 L C 1.747 178.573 176.870 -0.074 0.000 1.108 495 L CA 1.170 55.960 54.840 -0.085 0.000 0.830 495 L CB -0.015 42.086 42.059 0.069 0.000 0.959 495 L HN 0.463 nan 8.230 nan 0.000 0.457 496 A N -0.397 122.407 122.820 -0.026 0.000 2.014 496 A HA -0.150 4.166 4.320 -0.006 0.000 0.218 496 A C 2.232 179.815 177.584 -0.001 0.000 1.163 496 A CA 1.316 53.364 52.037 0.018 0.000 0.652 496 A CB -0.411 18.602 19.000 0.021 0.000 0.808 496 A HN 0.422 nan 8.150 nan 0.000 0.449 497 K N -0.043 120.320 120.400 -0.062 0.000 2.487 497 K HA 0.293 4.610 4.320 -0.006 0.000 0.192 497 K C 0.574 177.131 176.600 -0.072 0.000 1.027 497 K CA 0.285 56.532 56.287 -0.068 0.000 1.054 497 K CB -0.223 32.220 32.500 -0.096 0.000 0.824 497 K HN 0.470 nan 8.250 nan 0.000 0.510 498 A N 0.709 123.488 122.820 -0.068 0.000 2.445 498 A HA 0.130 4.446 4.320 -0.006 0.000 0.242 498 A C 0.405 177.988 177.584 -0.003 0.000 1.075 498 A CA -0.042 51.962 52.037 -0.054 0.000 0.777 498 A CB 0.401 19.331 19.000 -0.117 0.000 1.013 498 A HN 0.384 nan 8.150 nan 0.000 0.493 499 R N -0.027 120.414 120.500 -0.097 0.000 2.365 499 R HA 0.181 4.517 4.340 -0.006 0.000 0.223 499 R C -1.009 175.005 176.300 -0.476 0.000 0.899 499 R CA 0.393 56.316 56.100 -0.295 0.000 1.059 499 R CB 0.367 30.402 30.300 -0.442 0.000 1.086 499 R HN 0.782 nan 8.270 nan 0.000 0.522 500 Y N -1.752 118.659 120.300 0.185 0.000 2.512 500 Y HA 0.281 4.827 4.550 -0.006 0.000 0.348 500 Y C 0.503 176.594 175.900 0.319 0.000 0.990 500 Y CA -1.048 57.166 58.100 0.190 0.000 1.033 500 Y CB 1.603 40.146 38.460 0.138 0.000 1.259 500 Y HN -0.120 nan 8.280 nan 0.000 0.461 501 H N 0.017 119.250 119.070 0.272 0.000 2.755 501 H HA 0.351 4.904 4.556 -0.006 0.000 0.273 501 H C -0.773 174.628 175.328 0.122 0.000 1.055 501 H CA -0.133 56.042 56.048 0.212 0.000 1.191 501 H CB 0.583 30.356 29.762 0.017 0.000 1.536 501 H HN 0.352 nan 8.280 nan 0.000 0.529 502 K N 1.064 121.601 120.400 0.229 0.000 2.656 502 K HA 0.275 4.591 4.320 -0.006 0.000 0.241 502 K C -1.285 175.358 176.600 0.072 0.000 0.967 502 K CA -0.581 55.794 56.287 0.148 0.000 0.946 502 K CB 1.723 34.168 32.500 -0.092 0.000 1.164 502 K HN -0.054 nan 8.250 nan 0.000 0.459 503 I N 3.477 124.101 120.570 0.089 0.000 2.269 503 I HA 0.072 4.238 4.170 -0.006 0.000 0.293 503 I C -0.123 176.039 176.117 0.075 0.000 1.106 503 I CA -0.505 60.798 61.300 0.004 0.000 1.248 503 I CB 0.955 38.841 38.000 -0.190 0.000 1.444 503 I HN 0.160 nan 8.210 nan 0.000 0.497 504 V N 7.132 127.075 119.914 0.048 0.000 2.432 504 V HA 0.273 4.389 4.120 -0.006 0.000 0.271 504 V C 0.612 176.876 176.094 0.282 0.000 1.046 504 V CA -0.535 61.873 62.300 0.180 0.000 0.945 504 V CB 0.677 32.612 31.823 0.186 0.000 0.992 504 V HN 0.431 nan 8.190 nan 0.000 0.471 505 I N 5.955 126.698 120.570 0.288 0.000 2.396 505 I HA 0.281 4.447 4.170 -0.006 0.000 0.289 505 I C 0.134 176.408 176.117 0.262 0.000 1.056 505 I CA 0.238 61.718 61.300 0.300 0.000 1.365 505 I CB 0.843 39.027 38.000 0.307 0.000 1.407 505 I HN 0.682 nan 8.210 nan 0.000 0.509 506 M N 8.119 127.866 119.600 0.245 0.000 1.949 506 M HA 0.247 4.724 4.480 -0.006 0.000 0.234 506 M C -0.435 175.938 176.300 0.122 0.000 0.855 506 M CA -0.223 55.183 55.300 0.178 0.000 0.800 506 M CB 0.970 33.671 32.600 0.169 0.000 1.697 506 M HN 0.568 nan 8.290 nan 0.000 0.357 507 T N -0.618 114.003 114.554 0.111 0.000 2.918 507 T HA 0.619 4.965 4.350 -0.006 0.000 0.286 507 T C -0.133 174.607 174.700 0.067 0.000 1.026 507 T CA -0.818 61.332 62.100 0.083 0.000 1.031 507 T CB 0.992 69.909 68.868 0.082 0.000 1.046 507 T HN 0.498 nan 8.240 nan 0.000 0.479 508 D N 0.853 121.283 120.400 0.049 0.000 2.461 508 D HA 0.238 4.874 4.640 -0.006 0.000 0.231 508 D C 1.422 177.753 176.300 0.053 0.000 1.208 508 D CA 0.579 54.602 54.000 0.037 0.000 0.879 508 D CB 0.240 41.057 40.800 0.028 0.000 1.220 508 D HN 0.780 nan 8.370 nan 0.000 0.480 509 A N 1.504 124.351 122.820 0.044 0.000 2.066 509 A HA -0.075 4.242 4.320 -0.006 0.000 0.218 509 A C 0.867 178.496 177.584 0.073 0.000 1.157 509 A CA 1.194 53.271 52.037 0.067 0.000 0.670 509 A CB -0.547 18.474 19.000 0.036 0.000 0.804 509 A HN 0.714 nan 8.150 nan 0.000 0.453 510 D N -0.526 119.903 120.400 0.048 0.000 2.274 510 D HA 0.120 4.756 4.640 -0.006 0.000 0.256 510 D C 1.266 177.627 176.300 0.102 0.000 1.274 510 D CA 0.720 54.756 54.000 0.059 0.000 0.998 510 D CB -0.267 40.550 40.800 0.028 0.000 1.139 510 D HN 0.363 nan 8.370 nan 0.000 0.540 511 V N -3.763 116.229 119.914 0.130 0.000 3.406 511 V HA 0.060 4.176 4.120 -0.006 0.000 0.263 511 V C 1.032 177.254 176.094 0.213 0.000 1.172 511 V CA 1.115 63.527 62.300 0.186 0.000 1.140 511 V CB -0.460 31.485 31.823 0.203 0.000 0.784 511 V HN 0.387 nan 8.190 nan 0.000 0.467 512 D N 1.642 122.133 120.400 0.151 0.000 2.327 512 D HA 0.093 4.729 4.640 -0.006 0.000 0.205 512 D C 2.116 178.434 176.300 0.030 0.000 0.989 512 D CA 1.196 55.248 54.000 0.086 0.000 0.873 512 D CB 0.514 41.390 40.800 0.127 0.000 0.955 512 D HN 0.588 nan 8.370 nan 0.000 0.515 513 G N 1.085 109.918 108.800 0.054 0.000 2.484 513 G HA2 -0.040 3.916 3.960 -0.006 0.000 0.218 513 G HA3 -0.040 3.916 3.960 -0.006 0.000 0.218 513 G C 1.642 176.568 174.900 0.042 0.000 1.130 513 G CA 0.778 45.907 45.100 0.048 0.000 0.784 513 G HN 0.271 nan 8.290 nan 0.000 0.543 514 A N 0.269 123.114 122.820 0.043 0.000 1.855 514 A HA -0.060 4.257 4.320 -0.006 0.000 0.215 514 A C 2.064 179.618 177.584 -0.051 0.000 1.191 514 A CA 1.709 53.768 52.037 0.037 0.000 0.613 514 A CB -0.938 18.113 19.000 0.086 0.000 0.829 514 A HN 0.477 nan 8.150 nan 0.000 0.442 515 H N -0.670 118.176 119.070 -0.373 0.000 2.293 515 H HA -0.103 4.449 4.556 -0.006 0.000 0.300 515 H C 2.048 177.229 175.328 -0.245 0.000 1.082 515 H CA 1.688 57.379 56.048 -0.596 0.000 1.308 515 H CB -0.108 28.890 29.762 -1.275 0.000 1.375 515 H HN 0.306 nan 8.280 nan 0.000 0.495 516 I N 1.407 121.878 120.570 -0.164 0.000 2.185 516 I HA -0.318 3.849 4.170 -0.006 0.000 0.246 516 I C 2.766 178.840 176.117 -0.071 0.000 1.088 516 I CA 1.342 62.571 61.300 -0.118 0.000 1.347 516 I CB -0.788 37.198 38.000 -0.024 0.000 1.041 516 I HN 0.353 nan 8.210 nan 0.000 0.415 517 R N 0.023 120.515 120.500 -0.015 0.000 2.081 517 R HA -0.193 4.144 4.340 -0.006 0.000 0.235 517 R C 2.329 178.670 176.300 0.068 0.000 1.131 517 R CA 2.243 58.378 56.100 0.059 0.000 0.960 517 R CB -0.278 30.075 30.300 0.087 0.000 0.856 517 R HN 0.578 nan 8.270 nan 0.000 0.436 518 T N -1.160 113.406 114.554 0.021 0.000 2.867 518 T HA -0.075 4.272 4.350 -0.006 0.000 0.268 518 T C 1.916 176.656 174.700 0.067 0.000 1.057 518 T CA 0.968 63.118 62.100 0.084 0.000 1.136 518 T CB -0.223 68.731 68.868 0.143 0.000 0.874 518 T HN 0.175 nan 8.240 nan 0.000 0.466 519 L N 0.039 121.223 121.223 -0.065 0.000 2.217 519 L HA 0.193 4.530 4.340 -0.006 0.000 0.211 519 L C 2.617 179.486 176.870 -0.001 0.000 1.107 519 L CA 0.662 55.467 54.840 -0.059 0.000 0.783 519 L CB -0.574 41.386 42.059 -0.164 0.000 0.919 519 L HN 0.228 nan 8.230 nan 0.000 0.442 520 L N -0.904 120.326 121.223 0.012 0.000 2.049 520 L HA -0.136 4.200 4.340 -0.006 0.000 0.203 520 L C 2.425 179.320 176.870 0.041 0.000 1.074 520 L CA 0.976 55.803 54.840 -0.022 0.000 0.749 520 L CB -0.427 41.671 42.059 0.066 0.000 0.907 520 L HN 0.181 nan 8.230 nan 0.000 0.439 521 L N -0.600 120.771 121.223 0.247 0.000 2.079 521 L HA -0.212 4.124 4.340 -0.006 0.000 0.210 521 L C 2.593 179.612 176.870 0.249 0.000 1.081 521 L CA 1.600 56.672 54.840 0.387 0.000 0.752 521 L CB -1.063 41.217 42.059 0.369 0.000 0.896 521 L HN 0.353 nan 8.230 nan 0.000 0.433 522 T N -0.129 114.502 114.554 0.128 0.000 2.788 522 T HA -0.205 4.141 4.350 -0.006 0.000 0.268 522 T C 1.560 176.147 174.700 -0.188 0.000 1.044 522 T CA 1.351 63.322 62.100 -0.214 0.000 1.139 522 T CB -0.347 68.486 68.868 -0.059 0.000 0.867 522 T HN 0.267 nan 8.240 nan 0.000 0.454 523 F N 1.576 121.440 119.950 -0.145 0.000 2.084 523 F HA 0.000 4.523 4.527 -0.006 0.000 0.296 523 F C 1.714 177.515 175.800 0.001 0.000 1.111 523 F CA 0.771 58.732 58.000 -0.065 0.000 1.224 523 F CB -0.701 38.237 39.000 -0.104 0.000 0.991 523 F HN 0.034 nan 8.300 nan 0.000 0.471 524 F N -0.107 119.733 119.950 -0.183 0.000 2.065 524 F HA -0.232 4.291 4.527 -0.006 0.000 0.298 524 F C 2.489 178.103 175.800 -0.309 0.000 1.112 524 F CA 1.913 59.742 58.000 -0.285 0.000 1.212 524 F CB -1.741 37.245 39.000 -0.024 0.000 0.975 524 F HN 0.152 nan 8.300 nan 0.000 0.476 525 Y N 0.489 120.698 120.300 -0.152 0.000 2.274 525 Y HA -0.202 4.344 4.550 -0.006 0.000 0.290 525 Y C 2.571 178.203 175.900 -0.446 0.000 1.145 525 Y CA 1.386 59.319 58.100 -0.278 0.000 1.203 525 Y CB -0.097 38.167 38.460 -0.327 0.000 0.984 525 Y HN -0.192 nan 8.280 nan 0.000 0.533 526 R N -0.441 119.735 120.500 -0.541 0.000 2.055 526 R HA -0.091 4.245 4.340 -0.006 0.000 0.228 526 R C 1.831 177.582 176.300 -0.916 0.000 1.143 526 R CA 2.015 57.605 56.100 -0.851 0.000 0.945 526 R CB -1.014 28.550 30.300 -1.228 0.000 0.841 526 R HN 0.457 nan 8.270 nan 0.000 0.429 527 F N -1.366 118.403 119.950 -0.302 0.000 2.694 527 F HA 0.221 4.745 4.527 -0.006 0.000 0.292 527 F C 1.701 177.332 175.800 -0.281 0.000 1.121 527 F CA -0.082 57.782 58.000 -0.227 0.000 1.352 527 F CB 0.027 38.964 39.000 -0.104 0.000 1.107 527 F HN -0.225 nan 8.300 nan 0.000 0.597 528 M N 0.235 119.700 119.600 -0.226 0.000 2.453 528 M HA 0.187 4.663 4.480 -0.006 0.000 0.239 528 M C 1.561 177.575 176.300 -0.476 0.000 1.151 528 M CA 0.247 55.413 55.300 -0.223 0.000 0.989 528 M CB -0.698 31.909 32.600 0.011 0.000 1.548 528 M HN 0.151 nan 8.290 nan 0.000 0.479 529 R N 1.348 121.513 120.500 -0.559 0.000 2.133 529 R HA -0.203 4.133 4.340 -0.006 0.000 0.245 529 R C -0.730 175.269 176.300 -0.503 0.000 1.137 529 R CA 2.207 57.972 56.100 -0.558 0.000 0.947 529 R CB -1.444 28.475 30.300 -0.636 0.000 0.865 529 R HN 0.199 nan 8.270 nan 0.000 0.437 530 P HA -0.207 nan 4.420 nan 0.000 0.217 530 P C 1.185 178.272 177.300 -0.355 0.000 1.151 530 P CA 1.102 63.879 63.100 -0.539 0.000 0.849 530 P CB -0.065 31.138 31.700 -0.830 0.000 0.787 531 L N -0.633 120.359 121.223 -0.384 0.000 2.017 531 L HA -0.158 4.178 4.340 -0.006 0.000 0.208 531 L C 2.170 178.911 176.870 -0.215 0.000 1.073 531 L CA 1.817 56.481 54.840 -0.293 0.000 0.745 531 L CB -1.102 40.805 42.059 -0.253 0.000 0.894 531 L HN -0.120 nan 8.230 nan 0.000 0.432 532 I N -0.797 119.645 120.570 -0.214 0.000 2.226 532 I HA -0.272 3.895 4.170 -0.006 0.000 0.245 532 I C 2.384 178.450 176.117 -0.086 0.000 1.100 532 I CA 1.587 62.798 61.300 -0.148 0.000 1.374 532 I CB -0.611 37.338 38.000 -0.085 0.000 1.057 532 I HN 0.370 nan 8.210 nan 0.000 0.413 533 E N 1.016 121.162 120.200 -0.090 0.000 2.409 533 E HA -0.083 4.263 4.350 -0.006 0.000 0.198 533 E C 1.609 178.199 176.600 -0.017 0.000 1.024 533 E CA 0.697 57.060 56.400 -0.061 0.000 0.861 533 E CB 0.117 29.759 29.700 -0.096 0.000 0.788 533 E HN 0.511 nan 8.360 nan 0.000 0.521 534 A N -0.245 122.607 122.820 0.054 0.000 2.545 534 A HA 0.414 4.730 4.320 -0.006 0.000 0.277 534 A C 0.976 178.554 177.584 -0.011 0.000 1.301 534 A CA 0.353 52.445 52.037 0.091 0.000 0.935 534 A CB 0.103 19.253 19.000 0.250 0.000 1.093 534 A HN 0.217 nan 8.150 nan 0.000 0.519 535 G N -1.313 107.448 108.800 -0.064 0.000 2.289 535 G HA2 -0.320 3.637 3.960 -0.006 0.000 0.280 535 G HA3 -0.320 3.637 3.960 -0.006 0.000 0.280 535 G C 0.260 174.981 174.900 -0.299 0.000 1.089 535 G CA 0.727 45.698 45.100 -0.214 0.000 0.939 535 G HN 0.494 nan 8.290 nan 0.000 0.499 536 Y N -0.767 119.366 120.300 -0.278 0.000 2.422 536 Y HA 0.283 4.829 4.550 -0.006 0.000 0.291 536 Y C 1.992 177.734 175.900 -0.264 0.000 1.144 536 Y CA 0.565 58.545 58.100 -0.200 0.000 1.208 536 Y CB 0.352 38.663 38.460 -0.250 0.000 1.195 536 Y HN 0.217 nan 8.280 nan 0.000 0.535 537 V N 1.959 121.731 119.914 -0.238 0.000 2.479 537 V HA -0.022 4.094 4.120 -0.006 0.000 0.281 537 V C -0.744 175.132 176.094 -0.363 0.000 1.031 537 V CA -0.170 61.951 62.300 -0.298 0.000 1.038 537 V CB -0.795 30.793 31.823 -0.392 0.000 0.981 537 V HN 0.106 nan 8.190 nan 0.000 0.478 538 Y N 4.058 124.331 120.300 -0.045 0.000 2.675 538 Y HA 0.736 5.282 4.550 -0.006 0.000 0.328 538 Y C 0.176 176.111 175.900 0.058 0.000 1.092 538 Y CA -1.172 56.932 58.100 0.006 0.000 1.190 538 Y CB 1.810 40.275 38.460 0.007 0.000 1.350 538 Y HN 0.357 nan 8.280 nan 0.000 0.525 539 I N 1.401 122.130 120.570 0.265 0.000 2.563 539 I HA 0.403 4.569 4.170 -0.006 0.000 0.281 539 I C -0.751 175.474 176.117 0.181 0.000 1.110 539 I CA -0.626 60.793 61.300 0.198 0.000 1.073 539 I CB 1.134 39.220 38.000 0.144 0.000 1.215 539 I HN 0.665 nan 8.210 nan 0.000 0.460 540 A N 5.463 128.397 122.820 0.190 0.000 2.366 540 A HA 0.514 4.831 4.320 -0.006 0.000 0.249 540 A C -0.088 177.571 177.584 0.124 0.000 1.084 540 A CA -0.064 52.061 52.037 0.147 0.000 0.794 540 A CB 0.469 19.556 19.000 0.145 0.000 1.034 540 A HN 0.727 nan 8.150 nan 0.000 0.491 541 Q N 0.839 120.706 119.800 0.111 0.000 2.700 541 Q HA 0.290 4.627 4.340 -0.006 0.000 0.249 541 Q C -2.626 173.543 176.000 0.281 0.000 1.033 541 Q CA -1.672 54.233 55.803 0.169 0.000 0.804 541 Q CB 1.352 30.133 28.738 0.071 0.000 1.164 541 Q HN 0.473 nan 8.270 nan 0.000 0.500 542 P HA 0.238 nan 4.420 nan 0.000 0.285 542 P C -2.521 174.845 177.300 0.110 0.000 1.259 542 P CA -1.661 61.517 63.100 0.129 0.000 0.794 542 P CB 0.478 32.203 31.700 0.042 0.000 0.940 543 P HA 0.102 nan 4.420 nan 0.000 0.269 543 P C 0.058 177.263 177.300 -0.160 0.000 1.215 543 P CA 0.001 62.851 63.100 -0.417 0.000 0.780 543 P CB 0.454 32.160 31.700 0.010 0.000 0.898 544 L N 1.385 122.489 121.223 -0.199 0.000 2.906 544 L HA 0.394 4.730 4.340 -0.006 0.000 0.255 544 L C -0.841 175.783 176.870 -0.408 0.000 1.166 544 L CA 0.360 55.100 54.840 -0.166 0.000 0.977 544 L CB -0.075 41.920 42.059 -0.107 0.000 1.313 544 L HN 0.300 nan 8.230 nan 0.000 0.549 545 Y N -1.093 119.160 120.300 -0.080 0.000 2.788 545 Y HA 0.620 5.166 4.550 -0.008 0.000 0.335 545 Y C -0.127 175.621 175.900 -0.253 0.000 1.287 545 Y CA -0.720 57.264 58.100 -0.193 0.000 1.068 545 Y CB 1.185 39.550 38.460 -0.159 0.000 1.340 545 Y HN -0.343 nan 8.280 nan 0.000 0.449 546 K N 1.134 121.462 120.400 -0.119 0.000 3.009 546 K HA 0.476 4.793 4.320 -0.006 0.000 0.228 546 K C -1.698 174.812 176.600 -0.149 0.000 1.307 546 K CA -0.409 55.711 56.287 -0.278 0.000 0.882 546 K CB 0.042 32.308 32.500 -0.390 0.000 1.275 546 K HN 0.596 nan 8.250 nan 0.000 0.551 547 L N 1.049 122.224 121.223 -0.081 0.000 2.483 547 L HA 0.722 5.059 4.340 -0.006 0.000 0.275 547 L C 0.003 176.920 176.870 0.078 0.000 1.220 547 L CA 1.125 55.940 54.840 -0.041 0.000 0.833 547 L CB 1.301 43.258 42.059 -0.170 0.000 1.102 547 L HN 0.559 nan 8.230 nan 0.000 0.490 548 T N 4.352 118.980 114.554 0.123 0.000 3.335 548 T HA 0.239 4.585 4.350 -0.006 0.000 0.321 548 T C -0.518 174.305 174.700 0.204 0.000 0.960 548 T CA -0.380 61.812 62.100 0.155 0.000 1.034 548 T CB 0.895 69.813 68.868 0.083 0.000 1.040 548 T HN 0.616 nan 8.240 nan 0.000 0.454 549 Q N 2.137 122.082 119.800 0.242 0.000 2.916 549 Q HA 0.469 4.805 4.340 -0.006 0.000 0.314 549 Q C 1.222 177.310 176.000 0.146 0.000 1.194 549 Q CA 0.112 56.055 55.803 0.234 0.000 1.079 549 Q CB 0.294 29.214 28.738 0.304 0.000 1.322 549 Q HN 1.125 nan 8.270 nan 0.000 0.500 550 G N 0.458 109.321 108.800 0.105 0.000 4.951 550 G HA2 -0.515 3.441 3.960 -0.006 0.000 0.295 550 G HA3 -0.515 3.441 3.960 -0.006 0.000 0.295 550 G C 0.916 175.849 174.900 0.055 0.000 1.540 550 G CA 0.465 45.606 45.100 0.069 0.000 1.044 550 G HN 0.500 nan 8.290 nan 0.000 0.731 551 K N 0.004 120.433 120.400 0.047 0.000 2.108 551 K HA 0.422 4.738 4.320 -0.006 0.000 0.204 551 K C 1.362 177.964 176.600 0.003 0.000 1.036 551 K CA 1.588 57.889 56.287 0.024 0.000 0.965 551 K CB -0.803 31.706 32.500 0.015 0.000 0.804 551 K HN 0.726 nan 8.250 nan 0.000 0.454 552 Q N 1.246 121.036 119.800 -0.017 0.000 2.264 552 Q HA 0.176 4.513 4.340 -0.006 0.000 0.296 552 Q C -0.312 175.617 176.000 -0.118 0.000 1.103 552 Q CA 0.687 56.397 55.803 -0.156 0.000 0.967 552 Q CB 0.155 28.753 28.738 -0.233 0.000 1.090 552 Q HN 0.482 nan 8.270 nan 0.000 0.379 553 K N 4.102 124.425 120.400 -0.128 0.000 2.357 553 K HA 0.356 4.672 4.320 -0.006 0.000 0.251 553 K C -1.031 175.618 176.600 0.081 0.000 1.069 553 K CA -0.433 55.866 56.287 0.020 0.000 0.994 553 K CB 0.142 32.709 32.500 0.112 0.000 1.411 553 K HN 0.387 nan 8.250 nan 0.000 0.450 554 Y N 0.407 120.781 120.300 0.122 0.000 2.310 554 Y HA 0.505 5.051 4.550 -0.007 0.000 0.326 554 Y C 0.357 176.387 175.900 0.216 0.000 1.151 554 Y CA -0.794 57.421 58.100 0.192 0.000 1.195 554 Y CB 0.849 39.355 38.460 0.076 0.000 1.210 554 Y HN 0.594 nan 8.280 nan 0.000 0.483 555 Y N 0.272 120.705 120.300 0.222 0.000 2.568 555 Y HA 0.771 5.318 4.550 -0.004 0.000 0.327 555 Y C -0.425 175.593 175.900 0.196 0.000 1.163 555 Y CA -1.267 56.923 58.100 0.149 0.000 1.219 555 Y CB 1.867 40.391 38.460 0.106 0.000 1.308 555 Y HN 0.258 nan 8.280 nan 0.000 0.503 556 V N 0.214 120.242 119.914 0.190 0.000 3.036 556 V HA 0.094 4.210 4.120 -0.006 0.000 0.288 556 V C -1.590 174.591 176.094 0.144 0.000 1.407 556 V CA -1.074 61.402 62.300 0.294 0.000 0.983 556 V CB 1.942 33.837 31.823 0.119 0.000 1.128 556 V HN 0.702 nan 8.190 nan 0.000 0.439 557 Y N 2.704 123.124 120.300 0.200 0.000 2.641 557 Y HA 0.434 4.981 4.550 -0.005 0.000 0.248 557 Y C 0.552 176.567 175.900 0.191 0.000 1.170 557 Y CA -0.907 57.312 58.100 0.198 0.000 1.201 557 Y CB 0.356 38.903 38.460 0.145 0.000 1.232 557 Y HN 0.883 nan 8.280 nan 0.000 0.537 558 N N -2.864 116.027 118.700 0.318 0.000 3.227 558 N HA 0.123 4.859 4.740 -0.006 0.000 0.241 558 N C -0.720 174.898 175.510 0.179 0.000 1.480 558 N CA -0.667 52.536 53.050 0.255 0.000 0.886 558 N CB 0.322 38.921 38.487 0.186 0.000 1.406 558 N HN -0.202 nan 8.380 nan 0.000 0.514 559 D N -0.522 119.969 120.400 0.151 0.000 2.183 559 D HA 0.013 4.649 4.640 -0.006 0.000 0.203 559 D C 1.319 177.607 176.300 -0.021 0.000 0.969 559 D CA 1.032 55.060 54.000 0.047 0.000 0.842 559 D CB 0.136 40.991 40.800 0.092 0.000 0.957 559 D HN 0.393 nan 8.370 nan 0.000 0.484 560 R N 0.960 121.475 120.500 0.025 0.000 2.070 560 R HA -0.097 4.240 4.340 -0.006 0.000 0.233 560 R C 2.027 178.319 176.300 -0.014 0.000 1.137 560 R CA 1.041 57.150 56.100 0.015 0.000 0.945 560 R CB -0.424 29.902 30.300 0.043 0.000 0.845 560 R HN 0.269 nan 8.270 nan 0.000 0.430 561 E N 0.825 121.029 120.200 0.006 0.000 2.267 561 E HA -0.181 4.165 4.350 -0.006 0.000 0.197 561 E C 1.989 178.536 176.600 -0.089 0.000 0.998 561 E CA 0.718 57.116 56.400 -0.003 0.000 0.830 561 E CB -0.045 29.697 29.700 0.071 0.000 0.751 561 E HN 0.281 nan 8.360 nan 0.000 0.491 562 L N 0.352 121.474 121.223 -0.168 0.000 2.131 562 L HA -0.135 4.202 4.340 -0.006 0.000 0.206 562 L C 2.034 178.738 176.870 -0.276 0.000 1.087 562 L CA 1.171 55.823 54.840 -0.313 0.000 0.767 562 L CB 0.063 41.793 42.059 -0.548 0.000 0.917 562 L HN 0.027 nan 8.230 nan 0.000 0.441 563 D N 0.046 120.339 120.400 -0.180 0.000 2.117 563 D HA -0.211 4.426 4.640 -0.006 0.000 0.197 563 D C 2.312 178.542 176.300 -0.117 0.000 0.987 563 D CA 1.880 55.803 54.000 -0.129 0.000 0.829 563 D CB 0.206 40.969 40.800 -0.062 0.000 0.961 563 D HN 0.211 nan 8.370 nan 0.000 0.460 564 K N 0.418 120.759 120.400 -0.098 0.000 2.009 564 K HA -0.121 4.195 4.320 -0.006 0.000 0.210 564 K C 2.095 178.620 176.600 -0.126 0.000 1.049 564 K CA 1.664 57.902 56.287 -0.081 0.000 0.929 564 K CB -1.500 30.967 32.500 -0.055 0.000 0.714 564 K HN 0.271 nan 8.250 nan 0.000 0.440 565 L N 1.017 122.126 121.223 -0.191 0.000 2.201 565 L HA 0.011 4.347 4.340 -0.006 0.000 0.212 565 L C 1.946 178.594 176.870 -0.370 0.000 1.105 565 L CA 1.882 56.551 54.840 -0.285 0.000 0.775 565 L CB -0.264 41.581 42.059 -0.356 0.000 0.913 565 L HN 0.408 nan 8.230 nan 0.000 0.440 566 K N -1.041 119.121 120.400 -0.397 0.000 2.487 566 K HA 0.069 4.386 4.320 -0.006 0.000 0.192 566 K C 1.438 178.002 176.600 -0.061 0.000 1.027 566 K CA 0.832 56.827 56.287 -0.486 0.000 1.054 566 K CB 0.038 32.189 32.500 -0.581 0.000 0.824 566 K HN 0.515 nan 8.250 nan 0.000 0.510 567 S N -0.394 115.274 115.700 -0.053 0.000 2.650 567 S HA 0.162 4.629 4.470 -0.006 0.000 0.240 567 S C 0.589 175.193 174.600 0.007 0.000 1.007 567 S CA -0.502 57.711 58.200 0.022 0.000 0.984 567 S CB 0.327 63.532 63.200 0.009 0.000 0.910 567 S HN 0.141 nan 8.310 nan 0.000 0.509 568 E N 0.910 121.092 120.200 -0.030 0.000 2.624 568 E HA 0.378 4.724 4.350 -0.006 0.000 0.210 568 E C -0.829 175.764 176.600 -0.010 0.000 0.997 568 E CA -0.053 56.330 56.400 -0.028 0.000 0.999 568 E CB 0.776 30.438 29.700 -0.064 0.000 1.040 568 E HN 0.478 nan 8.360 nan 0.000 0.469 569 L N 1.343 122.593 121.223 0.046 0.000 2.385 569 L HA 0.321 4.657 4.340 -0.006 0.000 0.273 569 L C -0.179 176.785 176.870 0.157 0.000 0.990 569 L CA -1.015 53.889 54.840 0.107 0.000 0.821 569 L CB 1.936 44.077 42.059 0.137 0.000 1.279 569 L HN -0.095 nan 8.230 nan 0.000 0.412 570 N N 4.563 123.331 118.700 0.114 0.000 2.400 570 N HA 0.089 4.825 4.740 -0.006 0.000 0.278 570 N C -2.248 173.312 175.510 0.083 0.000 1.247 570 N CA -1.233 51.867 53.050 0.082 0.000 0.970 570 N CB 0.584 39.108 38.487 0.061 0.000 1.312 570 N HN 0.204 nan 8.380 nan 0.000 0.488 571 P HA 0.104 nan 4.420 nan 0.000 0.230 571 P C 0.151 177.373 177.300 -0.132 0.000 1.791 571 P CA 0.055 63.102 63.100 -0.088 0.000 1.020 571 P CB 0.217 31.752 31.700 -0.274 0.000 1.977 572 T N -0.391 114.131 114.554 -0.053 0.000 3.044 572 T HA 0.222 4.568 4.350 -0.006 0.000 0.260 572 T C -0.995 173.684 174.700 -0.036 0.000 1.019 572 T CA -0.193 61.876 62.100 -0.052 0.000 0.921 572 T CB -0.564 68.291 68.868 -0.021 0.000 1.053 572 T HN 0.090 nan 8.240 nan 0.000 0.533 573 P HA 0.360 nan 4.420 nan 0.000 0.226 573 P C -0.032 177.233 177.300 -0.057 0.000 1.160 573 P CA 0.721 63.822 63.100 0.002 0.000 0.837 573 P CB -0.011 31.740 31.700 0.085 0.000 0.860 574 K N -0.413 119.872 120.400 -0.191 0.000 6.365 574 K HA -0.087 4.229 4.320 -0.006 0.000 0.786 574 K C -0.289 176.234 176.600 -0.128 0.000 2.401 574 K CA 0.130 56.224 56.287 -0.323 0.000 1.752 574 K CB -2.607 29.777 32.500 -0.193 0.000 2.498 574 K HN 0.073 nan 8.250 nan 0.000 0.213 575 W N 0.625 121.918 121.300 -0.011 0.000 2.093 575 W HA 0.607 5.266 4.660 -0.001 0.000 0.352 575 W C 1.256 177.765 176.519 -0.016 0.000 1.294 575 W CA -0.028 57.309 57.345 -0.013 0.000 1.290 575 W CB 1.326 30.768 29.460 -0.031 0.000 1.149 575 W HN 1.024 nan 8.180 nan 0.000 0.606 576 S N 1.664 117.510 115.700 0.243 0.000 2.300 576 S HA 0.200 4.666 4.470 -0.006 0.000 0.172 576 S C -0.673 173.965 174.600 0.063 0.000 1.484 576 S CA -0.594 57.674 58.200 0.113 0.000 1.265 576 S CB -0.877 62.368 63.200 0.075 0.000 1.313 576 S HN 0.301 nan 8.310 nan 0.000 0.387 577 I N 3.100 123.711 120.570 0.068 0.000 2.692 577 I HA 0.623 4.789 4.170 -0.006 0.000 0.284 577 I C -0.174 175.910 176.117 -0.055 0.000 1.159 577 I CA 0.340 61.637 61.300 -0.005 0.000 1.423 577 I CB 0.761 38.754 38.000 -0.012 0.000 1.380 577 I HN 0.392 nan 8.210 nan 0.000 0.580 578 A N 7.548 130.293 122.820 -0.124 0.000 2.374 578 A HA 0.682 4.998 4.320 -0.006 0.000 0.305 578 A C -0.276 177.042 177.584 -0.443 0.000 1.053 578 A CA -0.846 51.028 52.037 -0.273 0.000 0.726 578 A CB 1.003 19.799 19.000 -0.340 0.000 1.229 578 A HN 0.864 nan 8.150 nan 0.000 0.431 579 R N 0.790 121.032 120.500 -0.430 0.000 2.606 579 R HA 0.659 4.996 4.340 -0.006 0.000 0.249 579 R C -1.306 174.582 176.300 -0.687 0.000 1.127 579 R CA -0.501 55.275 56.100 -0.541 0.000 1.133 579 R CB 0.786 30.959 30.300 -0.212 0.000 1.243 579 R HN 0.766 nan 8.270 nan 0.000 0.558 580 Y N 0.569 120.713 120.300 -0.260 0.000 2.721 580 Y HA 0.070 4.617 4.550 -0.005 0.000 0.284 580 Y C 0.680 176.489 175.900 -0.152 0.000 0.976 580 Y CA -0.578 57.420 58.100 -0.171 0.000 1.142 580 Y CB 0.985 39.346 38.460 -0.166 0.000 1.168 580 Y HN 0.693 nan 8.280 nan 0.000 0.615 581 K N 0.883 121.274 120.400 -0.014 0.000 2.248 581 K HA -0.173 4.144 4.320 -0.006 0.000 0.208 581 K C 0.806 177.391 176.600 -0.025 0.000 1.044 581 K CA 2.254 58.500 56.287 -0.069 0.000 0.933 581 K CB -0.099 32.340 32.500 -0.102 0.000 0.723 581 K HN 0.663 nan 8.250 nan 0.000 0.475 582 G N -2.375 106.430 108.800 0.010 0.000 2.753 582 G HA2 0.402 4.358 3.960 -0.006 0.000 0.303 582 G HA3 0.402 4.358 3.960 -0.006 0.000 0.303 582 G C -0.288 174.608 174.900 -0.008 0.000 1.242 582 G CA -0.273 44.829 45.100 0.004 0.000 0.810 582 G HN 0.055 nan 8.290 nan 0.000 0.515 583 L N 0.793 122.002 121.223 -0.023 0.000 2.556 583 L HA 0.263 4.599 4.340 -0.006 0.000 0.226 583 L C 2.758 179.598 176.870 -0.049 0.000 1.089 583 L CA 0.864 55.669 54.840 -0.059 0.000 0.864 583 L CB 0.223 42.250 42.059 -0.054 0.000 1.067 583 L HN 0.643 nan 8.230 nan 0.000 0.477 584 G N -0.102 108.687 108.800 -0.018 0.000 2.450 584 G HA2 -0.283 3.674 3.960 -0.006 0.000 0.220 584 G HA3 -0.283 3.674 3.960 -0.006 0.000 0.220 584 G C 1.384 176.287 174.900 0.005 0.000 1.130 584 G CA 0.566 45.663 45.100 -0.006 0.000 0.760 584 G HN 0.409 nan 8.290 nan 0.000 0.557 585 E N -0.524 119.692 120.200 0.027 0.000 2.516 585 E HA 0.113 4.459 4.350 -0.006 0.000 0.199 585 E C 0.748 177.390 176.600 0.069 0.000 1.069 585 E CA -0.122 56.335 56.400 0.095 0.000 0.876 585 E CB -0.062 29.756 29.700 0.197 0.000 0.843 585 E HN 0.339 nan 8.360 nan 0.000 0.530 586 M N 1.474 121.027 119.600 -0.078 0.000 2.205 586 M HA 0.255 4.731 4.480 -0.006 0.000 0.344 586 M C -0.518 175.735 176.300 -0.078 0.000 1.085 586 M CA -0.801 54.384 55.300 -0.191 0.000 1.001 586 M CB 1.472 33.861 32.600 -0.351 0.000 1.626 586 M HN -0.165 nan 8.290 nan 0.000 0.442 587 N N 1.779 120.456 118.700 -0.038 0.000 2.412 587 N HA 0.034 4.770 4.740 -0.006 0.000 0.258 587 N C 0.922 176.427 175.510 -0.009 0.000 1.236 587 N CA 0.131 53.177 53.050 -0.007 0.000 0.882 587 N CB 1.156 39.653 38.487 0.017 0.000 1.066 587 N HN 0.835 nan 8.380 nan 0.000 0.465 588 A N 3.025 125.846 122.820 0.002 0.000 1.997 588 A HA -0.286 4.030 4.320 -0.006 0.000 0.221 588 A C 1.644 179.270 177.584 0.069 0.000 1.172 588 A CA 2.261 54.310 52.037 0.021 0.000 0.645 588 A CB -0.485 18.521 19.000 0.010 0.000 0.813 588 A HN 0.862 nan 8.150 nan 0.000 0.454 589 D N -0.001 120.438 120.400 0.066 0.000 2.085 589 D HA -0.226 4.410 4.640 -0.006 0.000 0.199 589 D C 1.820 178.206 176.300 0.143 0.000 0.981 589 D CA 1.164 55.236 54.000 0.120 0.000 0.834 589 D CB -0.887 39.963 40.800 0.083 0.000 0.992 589 D HN 0.686 nan 8.370 nan 0.000 0.457 590 Q N -0.173 119.676 119.800 0.083 0.000 2.557 590 Q HA 0.020 4.356 4.340 -0.006 0.000 0.217 590 Q C 1.689 177.707 176.000 0.029 0.000 0.978 590 Q CA 0.550 56.397 55.803 0.073 0.000 0.950 590 Q CB -0.120 28.660 28.738 0.070 0.000 0.991 590 Q HN 0.495 nan 8.270 nan 0.000 0.533 591 L N -1.414 119.827 121.223 0.030 0.000 2.547 591 L HA 0.174 4.511 4.340 -0.006 0.000 0.218 591 L C 1.945 178.830 176.870 0.025 0.000 1.048 591 L CA -0.120 54.711 54.840 -0.015 0.000 0.859 591 L CB -0.228 41.799 42.059 -0.054 0.000 1.128 591 L HN 0.439 nan 8.230 nan 0.000 0.483 592 W N 1.535 122.800 121.300 -0.060 0.000 2.338 592 W HA -0.178 4.477 4.660 -0.007 0.000 0.304 592 W C 1.634 178.148 176.519 -0.010 0.000 1.212 592 W CA 1.829 59.150 57.345 -0.041 0.000 1.264 592 W CB -0.045 29.405 29.460 -0.017 0.000 1.142 592 W HN 0.228 nan 8.180 nan 0.000 0.512 593 E N 0.339 120.511 120.200 -0.047 0.000 1.984 593 E HA -0.253 4.093 4.350 -0.006 0.000 0.203 593 E C 2.210 178.688 176.600 -0.203 0.000 0.998 593 E CA 2.655 58.969 56.400 -0.143 0.000 0.865 593 E CB -1.447 28.248 29.700 -0.009 0.000 0.806 593 E HN 0.289 nan 8.360 nan 0.000 0.504 594 T N -1.134 113.333 114.554 -0.145 0.000 2.755 594 T HA -0.198 4.148 4.350 -0.006 0.000 0.266 594 T C 1.625 176.256 174.700 -0.115 0.000 1.041 594 T CA 2.405 64.408 62.100 -0.161 0.000 1.147 594 T CB -0.375 68.439 68.868 -0.090 0.000 0.847 594 T HN 0.133 nan 8.240 nan 0.000 0.478 595 T N -0.709 113.763 114.554 -0.137 0.000 2.993 595 T HA 0.445 4.791 4.350 -0.006 0.000 0.260 595 T C 1.272 175.864 174.700 -0.181 0.000 0.939 595 T CA -0.148 61.882 62.100 -0.116 0.000 0.886 595 T CB 0.243 69.060 68.868 -0.085 0.000 1.209 595 T HN 0.331 nan 8.240 nan 0.000 0.518 596 M N 0.728 120.143 119.600 -0.307 0.000 2.289 596 M HA 0.354 4.830 4.480 -0.006 0.000 0.335 596 M C -0.025 175.872 176.300 -0.672 0.000 0.961 596 M CA -0.236 54.858 55.300 -0.343 0.000 1.018 596 M CB 0.745 33.195 32.600 -0.250 0.000 1.678 596 M HN -0.097 nan 8.290 nan 0.000 0.589 597 N N 1.854 120.017 118.700 -0.896 0.000 2.406 597 N HA 0.211 4.947 4.740 -0.006 0.000 0.251 597 N C -2.078 173.174 175.510 -0.430 0.000 1.069 597 N CA -1.851 50.578 53.050 -1.035 0.000 0.947 597 N CB 1.441 39.390 38.487 -0.898 0.000 1.111 597 N HN -0.139 nan 8.380 nan 0.000 0.497 598 P HA -0.147 nan 4.420 nan 0.000 0.220 598 P C 0.725 177.936 177.300 -0.149 0.000 1.144 598 P CA 1.190 64.203 63.100 -0.144 0.000 0.800 598 P CB 0.499 32.164 31.700 -0.059 0.000 0.772 599 E N -1.479 118.602 120.200 -0.200 0.000 2.016 599 E HA -0.164 4.183 4.350 -0.006 0.000 0.190 599 E C 1.879 178.284 176.600 -0.325 0.000 0.985 599 E CA 1.189 57.419 56.400 -0.283 0.000 0.802 599 E CB -0.582 28.870 29.700 -0.413 0.000 0.762 599 E HN 0.489 nan 8.360 nan 0.000 0.448 600 H N 0.272 119.260 119.070 -0.137 0.000 2.451 600 H HA 0.067 4.620 4.556 -0.005 0.000 0.294 600 H C 1.161 176.405 175.328 -0.140 0.000 1.028 600 H CA 0.199 56.167 56.048 -0.132 0.000 1.349 600 H CB 0.092 29.762 29.762 -0.154 0.000 1.444 600 H HN 0.099 nan 8.280 nan 0.000 0.538 601 R N 1.421 121.882 120.500 -0.064 0.000 2.811 601 R HA 0.248 4.584 4.340 -0.006 0.000 0.265 601 R C -0.377 175.892 176.300 -0.052 0.000 1.026 601 R CA 0.556 56.605 56.100 -0.085 0.000 1.142 601 R CB 0.383 30.602 30.300 -0.135 0.000 1.027 601 R HN 0.059 nan 8.270 nan 0.000 0.465 602 A N 5.659 128.457 122.820 -0.035 0.000 3.105 602 A HA 0.295 4.612 4.320 -0.006 0.000 0.336 602 A C -0.054 177.534 177.584 0.007 0.000 1.042 602 A CA -0.828 51.197 52.037 -0.020 0.000 0.851 602 A CB 0.303 19.285 19.000 -0.029 0.000 1.068 602 A HN 0.624 nan 8.150 nan 0.000 0.477 603 L N 0.958 122.191 121.223 0.015 0.000 2.439 603 L HA 0.296 4.632 4.340 -0.006 0.000 0.269 603 L C -0.429 176.525 176.870 0.141 0.000 1.179 603 L CA -0.014 54.872 54.840 0.076 0.000 0.828 603 L CB 0.956 43.027 42.059 0.020 0.000 1.106 603 L HN 0.478 nan 8.230 nan 0.000 0.467 604 L N 2.999 124.334 121.223 0.188 0.000 2.296 604 L HA 0.392 4.729 4.340 -0.006 0.000 0.286 604 L C -0.012 176.968 176.870 0.183 0.000 1.023 604 L CA -0.199 54.733 54.840 0.153 0.000 0.812 604 L CB 1.458 43.566 42.059 0.081 0.000 1.223 604 L HN 0.559 nan 8.230 nan 0.000 0.421 605 Q N 2.064 121.911 119.800 0.079 0.000 2.261 605 Q HA 0.422 4.759 4.340 -0.006 0.000 0.252 605 Q C -1.147 174.720 176.000 -0.222 0.000 0.915 605 Q CA -0.669 54.968 55.803 -0.277 0.000 0.915 605 Q CB 1.747 30.355 28.738 -0.217 0.000 1.204 605 Q HN 0.488 nan 8.270 nan 0.000 0.421 606 V N 3.533 123.263 119.914 -0.308 0.000 2.353 606 V HA 0.446 4.562 4.120 -0.006 0.000 0.264 606 V C 0.386 176.406 176.094 -0.123 0.000 1.049 606 V CA -0.071 62.138 62.300 -0.151 0.000 0.896 606 V CB 0.178 31.934 31.823 -0.112 0.000 1.025 606 V HN 0.811 nan 8.190 nan 0.000 0.475 607 K N 4.211 124.569 120.400 -0.071 0.000 2.166 607 K HA 0.918 5.234 4.320 -0.006 0.000 0.245 607 K C -1.111 175.480 176.600 -0.014 0.000 0.967 607 K CA -0.745 55.514 56.287 -0.048 0.000 0.863 607 K CB 1.910 34.384 32.500 -0.044 0.000 1.107 607 K HN 0.543 nan 8.250 nan 0.000 0.436 608 L N 1.204 122.426 121.223 -0.002 0.000 2.381 608 L HA 0.493 4.830 4.340 -0.006 0.000 0.274 608 L C 0.130 177.008 176.870 0.013 0.000 0.988 608 L CA -0.381 54.475 54.840 0.027 0.000 0.824 608 L CB 1.886 43.985 42.059 0.065 0.000 1.263 608 L HN 0.891 nan 8.230 nan 0.000 0.410 609 E N 1.651 121.855 120.200 0.006 0.000 3.416 609 E HA 0.157 4.503 4.350 -0.006 0.000 0.363 609 E C -0.574 176.029 176.600 0.004 0.000 0.572 609 E CA -0.206 56.193 56.400 -0.003 0.000 1.746 609 E CB -0.207 29.484 29.700 -0.015 0.000 2.273 609 E HN 0.611 nan 8.360 nan 0.000 0.514 610 D N 0.708 121.104 120.400 -0.006 0.000 2.346 610 D HA 0.172 4.809 4.640 -0.006 0.000 0.260 610 D C 0.586 176.893 176.300 0.012 0.000 1.252 610 D CA 0.109 54.108 54.000 -0.002 0.000 0.895 610 D CB 1.214 42.006 40.800 -0.015 0.000 1.097 610 D HN 0.258 nan 8.370 nan 0.000 0.489 611 A N 5.121 127.963 122.820 0.038 0.000 1.972 611 A HA -0.155 4.161 4.320 -0.006 0.000 0.219 611 A C 1.989 179.616 177.584 0.072 0.000 1.169 611 A CA 0.824 52.913 52.037 0.087 0.000 0.635 611 A CB -0.228 18.823 19.000 0.085 0.000 0.810 611 A HN 0.706 nan 8.150 nan 0.000 0.446 612 I N -0.481 120.109 120.570 0.032 0.000 2.761 612 I HA -0.067 4.099 4.170 -0.006 0.000 0.261 612 I C 2.078 178.189 176.117 -0.011 0.000 1.198 612 I CA 1.068 62.380 61.300 0.019 0.000 1.482 612 I CB -1.271 36.734 38.000 0.010 0.000 1.100 612 I HN 0.492 nan 8.210 nan 0.000 0.445 613 E N 1.124 121.307 120.200 -0.029 0.000 2.385 613 E HA 0.011 4.358 4.350 -0.006 0.000 0.194 613 E C 2.177 178.705 176.600 -0.120 0.000 1.013 613 E CA 0.615 56.978 56.400 -0.061 0.000 0.866 613 E CB 0.439 30.105 29.700 -0.056 0.000 0.832 613 E HN 0.404 nan 8.360 nan 0.000 0.500 614 A N 1.486 124.229 122.820 -0.128 0.000 1.832 614 A HA -0.154 4.162 4.320 -0.006 0.000 0.214 614 A C 1.866 179.292 177.584 -0.264 0.000 1.204 614 A CA 1.341 53.207 52.037 -0.285 0.000 0.606 614 A CB -0.568 18.272 19.000 -0.267 0.000 0.849 614 A HN 0.169 nan 8.150 nan 0.000 0.445 615 D N -0.774 119.584 120.400 -0.070 0.000 2.280 615 D HA -0.165 4.471 4.640 -0.006 0.000 0.206 615 D C 1.888 178.188 176.300 0.001 0.000 0.988 615 D CA 1.155 55.183 54.000 0.046 0.000 0.886 615 D CB -0.048 40.817 40.800 0.109 0.000 0.914 615 D HN 0.479 nan 8.370 nan 0.000 0.473 616 Q N -0.092 119.674 119.800 -0.056 0.000 2.212 616 Q HA -0.043 4.294 4.340 -0.006 0.000 0.199 616 Q C 1.557 177.504 176.000 -0.088 0.000 0.950 616 Q CA 0.878 56.650 55.803 -0.052 0.000 0.863 616 Q CB 0.230 28.941 28.738 -0.046 0.000 0.944 616 Q HN 0.251 nan 8.270 nan 0.000 0.465 617 T N -0.532 113.909 114.554 -0.189 0.000 3.054 617 T HA 0.084 4.430 4.350 -0.006 0.000 0.259 617 T C 1.534 176.045 174.700 -0.316 0.000 1.092 617 T CA 0.322 62.264 62.100 -0.263 0.000 1.121 617 T CB -0.235 68.414 68.868 -0.365 0.000 0.912 617 T HN 0.161 nan 8.240 nan 0.000 0.489 618 F N 1.619 121.456 119.950 -0.189 0.000 2.187 618 F HA 0.084 4.607 4.527 -0.006 0.000 0.295 618 F C 2.651 178.369 175.800 -0.136 0.000 1.091 618 F CA 0.731 58.619 58.000 -0.185 0.000 1.308 618 F CB 0.093 38.962 39.000 -0.219 0.000 1.030 618 F HN 0.130 nan 8.300 nan 0.000 0.487 619 E N 0.651 120.899 120.200 0.079 0.000 2.482 619 E HA -0.186 4.160 4.350 -0.006 0.000 0.196 619 E C 1.830 178.417 176.600 -0.022 0.000 1.047 619 E CA 0.559 56.975 56.400 0.027 0.000 0.869 619 E CB 0.003 29.719 29.700 0.026 0.000 0.836 619 E HN 0.536 nan 8.360 nan 0.000 0.520 620 M N -0.518 119.043 119.600 -0.066 0.000 2.557 620 M HA 0.071 4.547 4.480 -0.006 0.000 0.262 620 M C 1.553 177.707 176.300 -0.244 0.000 1.168 620 M CA 0.707 55.943 55.300 -0.106 0.000 1.194 620 M CB 0.173 32.733 32.600 -0.066 0.000 1.311 620 M HN 0.078 nan 8.290 nan 0.000 0.489 621 L N 0.267 121.266 121.223 -0.374 0.000 2.034 621 L HA 0.042 4.379 4.340 -0.006 0.000 0.203 621 L C 1.518 178.102 176.870 -0.477 0.000 1.074 621 L CA 0.660 55.060 54.840 -0.732 0.000 0.748 621 L CB -0.381 41.141 42.059 -0.896 0.000 0.905 621 L HN 0.384 nan 8.230 nan 0.000 0.439 622 M N 0.510 120.002 119.600 -0.179 0.000 2.853 622 M HA 0.256 4.732 4.480 -0.006 0.000 0.274 622 M C 0.576 176.885 176.300 0.016 0.000 1.289 622 M CA 0.015 55.311 55.300 -0.006 0.000 1.031 622 M CB -0.793 31.864 32.600 0.095 0.000 1.352 622 M HN 0.080 nan 8.290 nan 0.000 0.485 623 G N 1.115 109.903 108.800 -0.021 0.000 2.736 623 G HA2 0.425 4.381 3.960 -0.006 0.000 0.229 623 G HA3 0.425 4.381 3.960 -0.006 0.000 0.229 623 G C -0.047 174.863 174.900 0.017 0.000 1.380 623 G CA -0.299 44.802 45.100 0.002 0.000 1.040 623 G HN 0.417 nan 8.290 nan 0.000 0.568 624 D N -1.435 118.975 120.400 0.017 0.000 2.513 624 D HA 0.055 4.691 4.640 -0.006 0.000 0.222 624 D C 0.507 176.819 176.300 0.020 0.000 1.210 624 D CA -0.156 53.859 54.000 0.025 0.000 0.825 624 D CB 0.150 40.966 40.800 0.027 0.000 1.037 624 D HN 0.135 nan 8.370 nan 0.000 0.506 625 V N 1.549 121.469 119.914 0.011 0.000 2.276 625 V HA 0.083 4.200 4.120 -0.006 0.000 0.249 625 V C 1.862 177.965 176.094 0.015 0.000 1.160 625 V CA -0.485 61.822 62.300 0.011 0.000 1.042 625 V CB 0.515 32.342 31.823 0.006 0.000 1.224 625 V HN -0.077 nan 8.190 nan 0.000 0.496 626 V N 3.198 123.126 119.914 0.023 0.000 2.278 626 V HA -0.281 3.835 4.120 -0.006 0.000 0.251 626 V C 2.583 178.697 176.094 0.034 0.000 1.062 626 V CA 2.754 65.073 62.300 0.031 0.000 1.038 626 V CB -0.210 31.632 31.823 0.031 0.000 0.646 626 V HN 0.997 nan 8.190 nan 0.000 0.447 627 E N 0.823 121.040 120.200 0.029 0.000 2.033 627 E HA -0.267 4.079 4.350 -0.006 0.000 0.199 627 E C 1.844 178.469 176.600 0.042 0.000 1.011 627 E CA 2.297 58.717 56.400 0.034 0.000 0.815 627 E CB -0.618 29.098 29.700 0.027 0.000 0.755 627 E HN 0.621 nan 8.360 nan 0.000 0.451 628 N N -0.128 118.593 118.700 0.034 0.000 2.133 628 N HA -0.236 4.501 4.740 -0.006 0.000 0.193 628 N C 1.752 177.301 175.510 0.064 0.000 1.012 628 N CA 1.783 54.858 53.050 0.042 0.000 0.871 628 N CB -0.286 38.214 38.487 0.021 0.000 1.011 628 N HN 0.226 nan 8.380 nan 0.000 0.435 629 R N 0.408 120.927 120.500 0.030 0.000 2.127 629 R HA 0.119 4.455 4.340 -0.006 0.000 0.217 629 R C 2.202 178.560 176.300 0.097 0.000 1.074 629 R CA 0.533 56.631 56.100 -0.003 0.000 0.991 629 R CB 0.079 30.344 30.300 -0.059 0.000 0.895 629 R HN 0.152 nan 8.270 nan 0.000 0.450 630 R N 0.218 120.777 120.500 0.098 0.000 2.066 630 R HA -0.180 4.156 4.340 -0.006 0.000 0.232 630 R C 2.136 178.519 176.300 0.139 0.000 1.131 630 R CA 1.849 58.018 56.100 0.116 0.000 0.955 630 R CB -0.212 30.136 30.300 0.080 0.000 0.851 630 R HN 0.124 nan 8.270 nan 0.000 0.432 631 Q N 0.615 120.485 119.800 0.115 0.000 2.012 631 Q HA -0.268 4.068 4.340 -0.006 0.000 0.211 631 Q C 1.755 177.838 176.000 0.138 0.000 1.009 631 Q CA 2.631 58.493 55.803 0.097 0.000 0.866 631 Q CB -0.871 27.910 28.738 0.071 0.000 0.945 631 Q HN 0.460 nan 8.270 nan 0.000 0.414 632 F N -0.270 119.677 119.950 -0.005 0.000 2.053 632 F HA -0.388 4.135 4.527 -0.006 0.000 0.295 632 F C 1.821 177.622 175.800 0.003 0.000 1.102 632 F CA 2.044 60.036 58.000 -0.013 0.000 1.225 632 F CB -0.447 38.534 39.000 -0.031 0.000 0.961 632 F HN 0.255 nan 8.300 nan 0.000 0.495 633 I N 0.737 121.596 120.570 0.483 0.000 2.151 633 I HA -0.339 3.828 4.170 -0.006 0.000 0.243 633 I C 2.465 178.658 176.117 0.126 0.000 1.080 633 I CA 2.181 63.664 61.300 0.307 0.000 1.339 633 I CB -0.786 37.351 38.000 0.229 0.000 1.039 633 I HN 0.342 nan 8.210 nan 0.000 0.409 634 E N 0.322 120.586 120.200 0.107 0.000 2.153 634 E HA -0.243 4.103 4.350 -0.006 0.000 0.194 634 E C 1.523 178.130 176.600 0.012 0.000 0.988 634 E CA 1.389 57.832 56.400 0.073 0.000 0.811 634 E CB 0.049 29.790 29.700 0.068 0.000 0.746 634 E HN 0.483 nan 8.360 nan 0.000 0.466 635 D N 0.797 121.177 120.400 -0.034 0.000 2.084 635 D HA -0.103 4.533 4.640 -0.006 0.000 0.199 635 D C 1.057 177.269 176.300 -0.147 0.000 0.981 635 D CA 0.918 54.857 54.000 -0.101 0.000 0.841 635 D CB -0.445 40.260 40.800 -0.158 0.000 0.997 635 D HN 0.245 nan 8.370 nan 0.000 0.454 636 N N 1.629 120.207 118.700 -0.203 0.000 2.416 636 N HA 0.143 4.880 4.740 -0.006 0.000 0.215 636 N C 1.228 176.620 175.510 -0.198 0.000 1.208 636 N CA 0.082 53.003 53.050 -0.214 0.000 0.834 636 N CB 0.592 38.926 38.487 -0.254 0.000 1.072 636 N HN 0.046 nan 8.380 nan 0.000 0.472 637 A N 1.248 123.952 122.820 -0.194 0.000 2.292 637 A HA -0.199 4.117 4.320 -0.006 0.000 0.215 637 A C 1.024 178.299 177.584 -0.515 0.000 1.339 637 A CA 1.395 53.231 52.037 -0.335 0.000 0.895 637 A CB -0.896 17.980 19.000 -0.207 0.000 0.795 637 A HN 0.277 nan 8.150 nan 0.000 0.529 638 V N -2.377 117.262 119.914 -0.458 0.000 3.480 638 V HA -0.231 3.885 4.120 -0.006 0.000 0.494 638 V C 0.085 175.878 176.094 -0.502 0.000 0.682 638 V CA 1.493 63.556 62.300 -0.395 0.000 2.039 638 V CB -1.110 30.499 31.823 -0.356 0.000 2.474 638 V HN 0.771 nan 8.190 nan 0.000 0.505 639 Y N 2.536 122.835 120.300 -0.002 0.000 2.476 639 Y HA 0.369 4.915 4.550 -0.007 0.000 0.274 639 Y C 1.792 177.714 175.900 0.037 0.000 1.120 639 Y CA 0.616 58.724 58.100 0.014 0.000 1.214 639 Y CB 0.166 38.631 38.460 0.008 0.000 1.285 639 Y HN 0.774 nan 8.280 nan 0.000 0.520 640 A N 2.075 125.016 122.820 0.201 0.000 1.848 640 A HA -0.305 4.011 4.320 -0.006 0.000 0.217 640 A C 1.294 178.953 177.584 0.126 0.000 1.220 640 A CA 2.610 54.742 52.037 0.160 0.000 0.645 640 A CB -1.125 17.979 19.000 0.174 0.000 0.842 640 A HN 0.642 nan 8.150 nan 0.000 0.451 641 N N -0.635 118.143 118.700 0.129 0.000 2.321 641 N HA 0.449 5.185 4.740 -0.006 0.000 0.242 641 N C 0.386 176.046 175.510 0.250 0.000 1.141 641 N CA 0.108 53.275 53.050 0.194 0.000 0.864 641 N CB -0.048 38.527 38.487 0.146 0.000 1.100 641 N HN 0.526 nan 8.380 nan 0.000 0.510 642 L N -1.081 120.224 121.223 0.136 0.000 6.136 642 L HA -0.399 3.937 4.340 -0.006 0.000 0.053 642 L C 0.493 177.377 176.870 0.024 0.000 2.071 642 L CA 2.093 56.959 54.840 0.044 0.000 1.739 642 L CB -1.365 40.670 42.059 -0.040 0.000 2.668 642 L HN 0.561 nan 8.230 nan 0.000 0.983 643 D N -0.601 119.761 120.400 -0.062 0.000 2.634 643 D HA 0.570 5.206 4.640 -0.006 0.000 0.318 643 D C -0.417 175.840 176.300 -0.072 0.000 1.226 643 D CA -0.349 53.625 54.000 -0.043 0.000 0.899 643 D CB 0.108 40.871 40.800 -0.061 0.000 1.025 643 D HN 0.256 nan 8.370 nan 0.000 0.501 1003 E N -0.429 119.801 120.200 0.051 0.000 2.433 1003 E HA 0.753 5.099 4.350 -0.006 0.000 0.264 1003 E C -1.339 175.276 176.600 0.025 0.000 0.960 1003 E CA -0.992 55.428 56.400 0.034 0.000 0.866 1003 E CB 1.234 30.949 29.700 0.024 0.000 1.615 1003 E HN 1.138 nan 8.360 nan 0.000 0.442 1004 L N 0.212 121.446 121.223 0.018 0.000 0.606 1004 L HA -0.191 4.145 4.340 -0.006 0.000 0.356 1004 L C -2.190 174.687 176.870 0.011 0.000 1.005 1004 L CA 0.387 55.234 54.840 0.012 0.000 1.222 1004 L CB -0.546 41.519 42.059 0.010 0.000 0.015 1004 L HN 0.685 nan 8.230 nan 0.000 0.100 1005 P HA 0.113 nan 4.420 nan 0.000 0.282 1005 P C -0.383 176.918 177.300 0.002 0.000 1.327 1005 P CA 0.284 63.387 63.100 0.005 0.000 0.949 1005 P CB 0.429 32.131 31.700 0.003 0.000 1.445 1006 Q N 0.095 119.895 119.800 0.001 0.000 2.402 1006 Q HA -0.210 4.127 4.340 -0.006 0.000 0.356 1006 Q C -0.568 175.429 176.000 -0.005 0.000 1.344 1006 Q CA 0.305 56.106 55.803 -0.004 0.000 1.062 1006 Q CB -3.026 25.706 28.738 -0.009 0.000 1.268 1006 Q HN -0.019 nan 8.270 nan 0.000 0.383 1007 S N 1.167 116.866 115.700 -0.003 0.000 4.641 1007 S HA -0.202 4.264 4.470 -0.006 0.000 0.556 1007 S C 1.107 175.705 174.600 -0.003 0.000 0.923 1007 S CA 0.520 58.719 58.200 -0.003 0.000 1.147 1007 S CB 0.215 63.413 63.200 -0.003 0.000 1.458 1007 S HN 0.527 nan 8.310 nan 0.000 0.428 1008 R N 1.895 122.393 120.500 -0.003 0.000 2.446 1008 R HA -0.090 4.246 4.340 -0.006 0.000 0.209 1008 R C 1.043 177.342 176.300 -0.003 0.000 1.175 1008 R CA 0.523 56.620 56.100 -0.003 0.000 1.154 1008 R CB -1.207 29.091 30.300 -0.002 0.000 0.824 1008 R HN 0.737 nan 8.270 nan 0.000 0.485 1009 I N -2.130 118.440 120.570 -0.001 0.000 2.783 1009 I HA 0.257 4.423 4.170 -0.006 0.000 0.312 1009 I C -0.120 176.000 176.117 0.006 0.000 0.988 1009 I CA -0.699 60.603 61.300 0.002 0.000 1.182 1009 I CB 1.338 39.340 38.000 0.003 0.000 1.368 1009 I HN -0.263 nan 8.210 nan 0.000 0.511 1010 N N 3.270 121.979 118.700 0.015 0.000 2.714 1010 N HA 0.241 4.977 4.740 -0.006 0.000 0.298 1010 N C -0.459 175.076 175.510 0.041 0.000 1.298 1010 N CA -0.057 53.010 53.050 0.028 0.000 1.007 1010 N CB 0.034 38.543 38.487 0.037 0.000 1.318 1010 N HN 0.669 nan 8.380 nan 0.000 0.516 1011 E N 0.644 120.856 120.200 0.020 0.000 2.405 1011 E HA 0.620 4.966 4.350 -0.006 0.000 0.249 1011 E C -0.647 175.953 176.600 0.001 0.000 1.028 1011 E CA -0.760 55.644 56.400 0.007 0.000 0.897 1011 E CB 1.164 30.861 29.700 -0.005 0.000 1.262 1011 E HN -0.015 nan 8.360 nan 0.000 0.442 1012 R N 1.213 121.707 120.500 -0.011 0.000 3.262 1012 R HA 0.103 4.439 4.340 -0.006 0.000 0.270 1012 R C -1.984 174.307 176.300 -0.014 0.000 1.147 1012 R CA -0.114 55.982 56.100 -0.007 0.000 1.189 1012 R CB -0.120 30.183 30.300 0.006 0.000 1.271 1012 R HN 0.640 nan 8.270 nan 0.000 0.447 1013 N N 4.978 123.669 118.700 -0.014 0.000 2.440 1013 N HA 0.027 4.763 4.740 -0.006 0.000 0.265 1013 N C 1.263 176.760 175.510 -0.021 0.000 1.239 1013 N CA 0.068 53.106 53.050 -0.020 0.000 0.909 1013 N CB 0.596 39.068 38.487 -0.025 0.000 1.066 1013 N HN 0.665 nan 8.380 nan 0.000 0.474 1014 I N 3.318 123.878 120.570 -0.017 0.000 2.118 1014 I HA -0.312 3.855 4.170 -0.006 0.000 0.241 1014 I C 1.379 177.445 176.117 -0.086 0.000 1.070 1014 I CA 1.513 62.804 61.300 -0.015 0.000 1.327 1014 I CB -0.175 37.842 38.000 0.030 0.000 1.034 1014 I HN 0.625 nan 8.210 nan 0.000 0.405 1015 T N 0.167 114.648 114.554 -0.122 0.000 3.077 1015 T HA -0.082 4.264 4.350 -0.006 0.000 0.269 1015 T C 1.758 176.385 174.700 -0.122 0.000 1.146 1015 T CA 1.320 63.306 62.100 -0.189 0.000 1.091 1015 T CB -0.170 68.599 68.868 -0.164 0.000 0.892 1015 T HN 0.400 nan 8.240 nan 0.000 0.533 1016 S N 0.695 116.354 115.700 -0.068 0.000 2.468 1016 S HA 0.078 4.544 4.470 -0.006 0.000 0.226 1016 S C 1.953 176.550 174.600 -0.005 0.000 1.051 1016 S CA 0.073 58.255 58.200 -0.030 0.000 0.943 1016 S CB 0.021 63.210 63.200 -0.018 0.000 0.810 1016 S HN 0.375 nan 8.310 nan 0.000 0.509 1017 E N 2.058 122.256 120.200 -0.003 0.000 2.110 1017 E HA -0.094 4.252 4.350 -0.006 0.000 0.193 1017 E C 1.897 178.522 176.600 0.041 0.000 0.988 1017 E CA 1.214 57.633 56.400 0.031 0.000 0.804 1017 E CB -0.231 29.497 29.700 0.047 0.000 0.745 1017 E HN 0.223 nan 8.360 nan 0.000 0.458 1018 M N 0.059 119.647 119.600 -0.019 0.000 2.080 1018 M HA -0.144 4.332 4.480 -0.006 0.000 0.260 1018 M C 2.270 178.600 176.300 0.051 0.000 1.068 1018 M CA 1.692 56.973 55.300 -0.031 0.000 1.109 1018 M CB -1.051 31.397 32.600 -0.253 0.000 1.342 1018 M HN 0.116 nan 8.290 nan 0.000 0.405 1019 R N 0.169 120.703 120.500 0.056 0.000 2.073 1019 R HA -0.143 4.193 4.340 -0.006 0.000 0.234 1019 R C 2.138 178.575 176.300 0.228 0.000 1.134 1019 R CA 1.560 57.778 56.100 0.196 0.000 0.952 1019 R CB -0.237 30.162 30.300 0.166 0.000 0.850 1019 R HN 0.576 nan 8.270 nan 0.000 0.433 1020 E N -0.210 120.077 120.200 0.144 0.000 2.122 1020 E HA -0.019 4.328 4.350 -0.006 0.000 0.190 1020 E C 2.035 178.727 176.600 0.153 0.000 0.977 1020 E CA 0.836 57.315 56.400 0.132 0.000 0.820 1020 E CB 0.119 29.870 29.700 0.085 0.000 0.770 1020 E HN 0.132 nan 8.360 nan 0.000 0.462 1021 S N 1.091 116.882 115.700 0.153 0.000 2.338 1021 S HA -0.134 4.332 4.470 -0.006 0.000 0.218 1021 S C 1.701 176.422 174.600 0.202 0.000 1.032 1021 S CA 0.880 59.172 58.200 0.155 0.000 0.999 1021 S CB -0.428 62.849 63.200 0.129 0.000 0.905 1021 S HN 0.242 nan 8.310 nan 0.000 0.439 1022 F N 2.130 122.134 119.950 0.090 0.000 2.065 1022 F HA -0.189 4.335 4.527 -0.006 0.000 0.298 1022 F C 2.097 177.992 175.800 0.159 0.000 1.112 1022 F CA 1.486 59.558 58.000 0.121 0.000 1.212 1022 F CB -0.373 38.624 39.000 -0.006 0.000 0.975 1022 F HN 0.160 nan 8.300 nan 0.000 0.476 1023 L N 0.694 122.154 121.223 0.396 0.000 2.017 1023 L HA -0.217 4.120 4.340 -0.006 0.000 0.208 1023 L C 1.913 178.876 176.870 0.154 0.000 1.073 1023 L CA 2.495 57.520 54.840 0.308 0.000 0.745 1023 L CB -1.101 41.175 42.059 0.361 0.000 0.894 1023 L HN 0.228 nan 8.230 nan 0.000 0.432 1024 D N -2.352 118.135 120.400 0.146 0.000 2.384 1024 D HA -0.267 4.369 4.640 -0.006 0.000 0.222 1024 D C 1.713 178.079 176.300 0.110 0.000 0.976 1024 D CA 1.119 55.181 54.000 0.103 0.000 0.915 1024 D CB -0.038 40.828 40.800 0.110 0.000 0.896 1024 D HN 0.635 nan 8.370 nan 0.000 0.523 1025 Y N -0.027 120.243 120.300 -0.051 0.000 2.284 1025 Y HA 0.312 4.859 4.550 -0.006 0.000 0.293 1025 Y C 2.185 177.984 175.900 -0.169 0.000 1.140 1025 Y CA 1.024 59.055 58.100 -0.116 0.000 1.153 1025 Y CB -0.698 37.659 38.460 -0.171 0.000 1.114 1025 Y HN -0.071 nan 8.280 nan 0.000 0.521 1026 A N 1.365 123.916 122.820 -0.449 0.000 2.042 1026 A HA -0.220 4.096 4.320 -0.006 0.000 0.222 1026 A C 2.087 179.529 177.584 -0.237 0.000 1.167 1026 A CA 2.082 53.852 52.037 -0.444 0.000 0.649 1026 A CB -0.771 18.118 19.000 -0.185 0.000 0.809 1026 A HN 0.591 nan 8.150 nan 0.000 0.457 1027 M N -1.166 118.358 119.600 -0.128 0.000 2.099 1027 M HA -0.071 4.405 4.480 -0.006 0.000 0.262 1027 M C 2.465 178.727 176.300 -0.063 0.000 1.067 1027 M CA 1.856 57.128 55.300 -0.047 0.000 1.124 1027 M CB -1.418 31.166 32.600 -0.026 0.000 1.353 1027 M HN 0.470 nan 8.290 nan 0.000 0.410 1028 S N 0.086 115.714 115.700 -0.119 0.000 2.387 1028 S HA -0.052 4.415 4.470 -0.006 0.000 0.226 1028 S C 2.006 176.499 174.600 -0.179 0.000 1.026 1028 S CA 0.676 58.814 58.200 -0.102 0.000 0.972 1028 S CB -0.056 63.110 63.200 -0.058 0.000 0.814 1028 S HN 0.222 nan 8.310 nan 0.000 0.477 1029 V N 1.986 121.690 119.914 -0.350 0.000 2.295 1029 V HA -0.173 3.943 4.120 -0.006 0.000 0.246 1029 V C 2.134 178.109 176.094 -0.197 0.000 1.049 1029 V CA 1.798 63.887 62.300 -0.352 0.000 1.024 1029 V CB -0.520 30.966 31.823 -0.562 0.000 0.648 1029 V HN 0.483 nan 8.190 nan 0.000 0.447 1030 I N 0.466 120.946 120.570 -0.151 0.000 2.162 1030 I HA -0.153 4.013 4.170 -0.006 0.000 0.238 1030 I C 2.237 178.328 176.117 -0.043 0.000 1.076 1030 I CA 1.853 63.111 61.300 -0.069 0.000 1.353 1030 I CB -0.357 37.637 38.000 -0.010 0.000 1.063 1030 I HN 0.333 nan 8.210 nan 0.000 0.408 1031 V N -1.620 118.289 119.914 -0.009 0.000 3.306 1031 V HA 0.286 4.402 4.120 -0.006 0.000 0.264 1031 V C 1.034 177.113 176.094 -0.025 0.000 1.149 1031 V CA 0.779 63.075 62.300 -0.007 0.000 1.143 1031 V CB -0.386 31.470 31.823 0.054 0.000 0.767 1031 V HN 0.372 nan 8.190 nan 0.000 0.476 1032 A N 0.149 122.945 122.820 -0.040 0.000 3.339 1032 A HA 0.736 5.052 4.320 -0.006 0.000 0.219 1032 A C 0.727 178.273 177.584 -0.064 0.000 0.974 1032 A CA 0.219 52.233 52.037 -0.037 0.000 1.050 1032 A CB 0.352 19.346 19.000 -0.010 0.000 1.271 1032 A HN 0.483 nan 8.150 nan 0.000 0.565 1033 R N -1.348 119.103 120.500 -0.082 0.000 5.238 1033 R HA 0.323 4.660 4.340 -0.006 0.000 0.061 1033 R C 0.917 177.159 176.300 -0.097 0.000 0.721 1033 R CA 0.943 56.982 56.100 -0.101 0.000 1.410 1033 R CB -0.601 29.611 30.300 -0.145 0.000 1.353 1033 R HN 0.565 nan 8.270 nan 0.000 0.401 1034 A N 1.654 124.417 122.820 -0.095 0.000 2.387 1034 A HA 0.469 4.786 4.320 -0.006 0.000 0.234 1034 A C -0.105 177.449 177.584 -0.049 0.000 1.253 1034 A CA -0.224 51.770 52.037 -0.071 0.000 0.894 1034 A CB 0.130 19.086 19.000 -0.073 0.000 0.963 1034 A HN 0.156 nan 8.150 nan 0.000 0.508 1035 L N 1.065 122.256 121.223 -0.053 0.000 2.410 1035 L HA 0.414 4.751 4.340 -0.006 0.000 0.270 1035 L C -2.674 174.172 176.870 -0.040 0.000 0.983 1035 L CA -2.296 52.520 54.840 -0.039 0.000 0.822 1035 L CB 2.725 44.757 42.059 -0.044 0.000 1.285 1035 L HN -0.035 nan 8.230 nan 0.000 0.409 1036 P HA 0.033 nan 4.420 nan 0.000 0.276 1036 P C -0.781 176.490 177.300 -0.048 0.000 1.243 1036 P CA -0.156 62.932 63.100 -0.020 0.000 0.768 1036 P CB 1.086 32.787 31.700 0.001 0.000 0.856 1037 D N 1.869 122.233 120.400 -0.060 0.000 2.362 1037 D HA -0.055 4.581 4.640 -0.006 0.000 0.238 1037 D C 0.787 177.033 176.300 -0.091 0.000 1.212 1037 D CA -0.044 53.905 54.000 -0.086 0.000 0.902 1037 D CB 1.498 42.239 40.800 -0.098 0.000 1.180 1037 D HN 0.032 nan 8.370 nan 0.000 0.445 1038 V N 2.939 122.790 119.914 -0.106 0.000 2.949 1038 V HA -0.036 4.080 4.120 -0.006 0.000 0.245 1038 V C 2.199 178.251 176.094 -0.070 0.000 1.086 1038 V CA 0.902 63.149 62.300 -0.090 0.000 1.097 1038 V CB -0.169 31.585 31.823 -0.115 0.000 0.762 1038 V HN 0.480 nan 8.190 nan 0.000 0.470 1039 R N 1.320 121.739 120.500 -0.135 0.000 2.189 1039 R HA -0.022 4.314 4.340 -0.006 0.000 0.218 1039 R C 1.279 177.402 176.300 -0.294 0.000 1.074 1039 R CA 1.494 57.438 56.100 -0.260 0.000 0.991 1039 R CB -0.148 29.812 30.300 -0.567 0.000 0.883 1039 R HN 0.721 nan 8.270 nan 0.000 0.457 1040 D N -2.080 118.185 120.400 -0.225 0.000 2.516 1040 D HA 0.053 4.690 4.640 -0.006 0.000 0.241 1040 D C 0.827 177.034 176.300 -0.155 0.000 1.246 1040 D CA 0.379 54.261 54.000 -0.196 0.000 0.808 1040 D CB 0.206 40.887 40.800 -0.199 0.000 1.147 1040 D HN 0.109 nan 8.370 nan 0.000 0.527 1041 G N 1.125 109.855 108.800 -0.116 0.000 2.246 1041 G HA2 -0.221 3.736 3.960 -0.006 0.000 0.273 1041 G HA3 -0.221 3.736 3.960 -0.006 0.000 0.273 1041 G C -0.290 174.605 174.900 -0.008 0.000 1.055 1041 G CA 0.587 45.640 45.100 -0.079 0.000 0.851 1041 G HN 0.421 nan 8.290 nan 0.000 0.500 1042 L N -0.464 120.764 121.223 0.009 0.000 2.410 1042 L HA 0.437 4.773 4.340 -0.006 0.000 0.270 1042 L C 0.840 177.739 176.870 0.048 0.000 0.983 1042 L CA -1.151 53.749 54.840 0.100 0.000 0.822 1042 L CB 1.680 43.788 42.059 0.082 0.000 1.285 1042 L HN 0.075 nan 8.230 nan 0.000 0.409 1043 K N 2.674 123.094 120.400 0.033 0.000 2.156 1043 K HA 0.147 4.463 4.320 -0.006 0.000 0.242 1043 K C -1.743 174.801 176.600 -0.093 0.000 1.033 1043 K CA -1.318 54.904 56.287 -0.109 0.000 0.878 1043 K CB 0.392 32.722 32.500 -0.282 0.000 1.057 1043 K HN 0.277 nan 8.250 nan 0.000 0.505 1044 P HA -0.086 nan 4.420 nan 0.000 0.219 1044 P C 1.545 178.883 177.300 0.064 0.000 1.154 1044 P CA 0.371 63.482 63.100 0.018 0.000 0.826 1044 P CB 0.151 31.879 31.700 0.047 0.000 0.795 1045 V N 0.382 120.300 119.914 0.007 0.000 2.231 1045 V HA -0.364 3.752 4.120 -0.006 0.000 0.250 1045 V C 2.205 178.292 176.094 -0.010 0.000 1.058 1045 V CA 2.352 64.601 62.300 -0.085 0.000 1.022 1045 V CB -1.194 30.453 31.823 -0.293 0.000 0.640 1045 V HN 0.203 nan 8.190 nan 0.000 0.445 1046 H N -0.332 118.760 119.070 0.037 0.000 2.251 1046 H HA -0.258 4.294 4.556 -0.006 0.000 0.294 1046 H C 2.450 177.813 175.328 0.058 0.000 1.078 1046 H CA 1.984 58.058 56.048 0.044 0.000 1.246 1046 H CB -0.352 29.450 29.762 0.067 0.000 1.358 1046 H HN 0.353 nan 8.280 nan 0.000 0.488 1047 R N 1.449 122.054 120.500 0.176 0.000 2.153 1047 R HA -0.222 4.114 4.340 -0.006 0.000 0.252 1047 R C 2.158 178.527 176.300 0.115 0.000 1.158 1047 R CA 1.830 57.992 56.100 0.102 0.000 0.975 1047 R CB -0.109 30.209 30.300 0.030 0.000 0.871 1047 R HN 0.329 nan 8.270 nan 0.000 0.450 1048 R N -0.019 120.565 120.500 0.140 0.000 2.062 1048 R HA 0.005 4.342 4.340 -0.006 0.000 0.229 1048 R C 2.447 178.888 176.300 0.236 0.000 1.128 1048 R CA 1.637 57.847 56.100 0.184 0.000 0.960 1048 R CB -0.298 30.176 30.300 0.291 0.000 0.855 1048 R HN 0.261 nan 8.270 nan 0.000 0.432 1049 I N 1.135 121.822 120.570 0.195 0.000 2.091 1049 I HA -0.340 3.827 4.170 -0.006 0.000 0.239 1049 I C 2.234 178.445 176.117 0.157 0.000 1.061 1049 I CA 1.498 62.902 61.300 0.174 0.000 1.317 1049 I CB -0.361 37.716 38.000 0.129 0.000 1.031 1049 I HN 0.174 nan 8.210 nan 0.000 0.401 1050 L N -0.722 120.585 121.223 0.140 0.000 2.083 1050 L HA -0.255 4.082 4.340 -0.006 0.000 0.209 1050 L C 2.709 179.668 176.870 0.147 0.000 1.083 1050 L CA 1.584 56.494 54.840 0.117 0.000 0.752 1050 L CB -1.112 41.010 42.059 0.106 0.000 0.899 1050 L HN 0.315 nan 8.230 nan 0.000 0.433 1051 Y N 1.630 121.946 120.300 0.026 0.000 2.114 1051 Y HA -0.169 4.377 4.550 -0.007 0.000 0.284 1051 Y C 2.470 178.404 175.900 0.056 0.000 1.143 1051 Y CA 1.483 59.580 58.100 -0.005 0.000 1.135 1051 Y CB -0.784 37.595 38.460 -0.135 0.000 0.980 1051 Y HN 0.064 nan 8.280 nan 0.000 0.499 1052 G N 0.108 108.960 108.800 0.086 0.000 2.448 1052 G HA2 -0.213 3.743 3.960 -0.006 0.000 0.219 1052 G HA3 -0.213 3.743 3.960 -0.006 0.000 0.219 1052 G C 1.688 176.614 174.900 0.044 0.000 1.127 1052 G CA 1.064 46.258 45.100 0.156 0.000 0.766 1052 G HN 0.468 nan 8.290 nan 0.000 0.552 1053 L N 0.127 121.375 121.223 0.041 0.000 2.156 1053 L HA -0.013 4.323 4.340 -0.006 0.000 0.208 1053 L C 2.573 179.429 176.870 -0.024 0.000 1.095 1053 L CA 0.803 55.654 54.840 0.018 0.000 0.770 1053 L CB -0.301 41.775 42.059 0.028 0.000 0.914 1053 L HN 0.167 nan 8.230 nan 0.000 0.439 1054 N N 0.081 118.745 118.700 -0.060 0.000 2.409 1054 N HA -0.165 4.571 4.740 -0.006 0.000 0.179 1054 N C 1.699 177.123 175.510 -0.143 0.000 1.032 1054 N CA 0.883 53.884 53.050 -0.081 0.000 0.898 1054 N CB 0.219 38.677 38.487 -0.049 0.000 0.971 1054 N HN 0.126 nan 8.380 nan 0.000 0.441 1055 E N -0.126 119.941 120.200 -0.221 0.000 2.285 1055 E HA 0.062 4.409 4.350 -0.006 0.000 0.194 1055 E C 0.694 177.245 176.600 -0.082 0.000 0.997 1055 E CA 0.697 56.974 56.400 -0.204 0.000 0.845 1055 E CB 0.104 29.663 29.700 -0.235 0.000 0.782 1055 E HN 0.268 nan 8.360 nan 0.000 0.491 1056 Q N -0.955 118.815 119.800 -0.051 0.000 2.220 1056 Q HA 0.260 4.597 4.340 -0.006 0.000 0.205 1056 Q C 0.625 176.615 176.000 -0.017 0.000 0.865 1056 Q CA 0.476 56.266 55.803 -0.021 0.000 0.960 1056 Q CB 0.706 29.442 28.738 -0.003 0.000 1.097 1056 Q HN 0.277 nan 8.270 nan 0.000 0.493 1057 G N 1.936 110.722 108.800 -0.024 0.000 2.283 1057 G HA2 -0.292 3.664 3.960 -0.006 0.000 0.280 1057 G HA3 -0.292 3.664 3.960 -0.006 0.000 0.280 1057 G C 0.522 175.413 174.900 -0.015 0.000 1.029 1057 G CA 0.438 45.529 45.100 -0.016 0.000 0.840 1057 G HN 0.353 nan 8.290 nan 0.000 0.505 1058 M N 1.776 121.365 119.600 -0.019 0.000 2.752 1058 M HA 0.074 4.550 4.480 -0.006 0.000 0.216 1058 M C 1.550 177.824 176.300 -0.044 0.000 1.261 1058 M CA 0.812 56.096 55.300 -0.026 0.000 1.020 1058 M CB -0.855 31.735 32.600 -0.016 0.000 1.686 1058 M HN 0.467 nan 8.290 nan 0.000 0.447 1059 T N -0.901 113.633 114.554 -0.033 0.000 2.589 1059 T HA 0.064 4.411 4.350 -0.006 0.000 0.342 1059 T C -1.802 172.862 174.700 -0.060 0.000 1.044 1059 T CA -0.815 61.266 62.100 -0.032 0.000 1.020 1059 T CB -0.405 68.456 68.868 -0.011 0.000 1.070 1059 T HN 0.118 nan 8.240 nan 0.000 0.524 1060 P HA 0.078 nan 4.420 nan 0.000 0.241 1060 P C 0.963 178.232 177.300 -0.051 0.000 1.191 1060 P CA 0.419 63.477 63.100 -0.071 0.000 0.771 1060 P CB -0.015 31.667 31.700 -0.031 0.000 0.929 1061 D N -1.137 119.247 120.400 -0.027 0.000 2.262 1061 D HA -0.001 4.636 4.640 -0.006 0.000 0.212 1061 D C 0.559 176.857 176.300 -0.003 0.000 0.964 1061 D CA 0.640 54.636 54.000 -0.007 0.000 0.875 1061 D CB -0.105 40.697 40.800 0.003 0.000 0.996 1061 D HN 0.008 nan 8.370 nan 0.000 0.497 1062 K N 1.489 121.882 120.400 -0.012 0.000 2.102 1062 K HA 0.222 4.538 4.320 -0.006 0.000 0.244 1062 K C 0.502 177.101 176.600 -0.002 0.000 1.021 1062 K CA -0.381 55.907 56.287 0.001 0.000 0.913 1062 K CB 1.164 33.666 32.500 0.002 0.000 1.062 1062 K HN 0.150 nan 8.250 nan 0.000 0.485 1063 S N -0.077 115.649 115.700 0.044 0.000 2.606 1063 S HA 0.123 4.589 4.470 -0.006 0.000 0.257 1063 S C -0.186 174.474 174.600 0.100 0.000 1.327 1063 S CA -0.378 57.892 58.200 0.117 0.000 0.984 1063 S CB -0.063 63.220 63.200 0.138 0.000 0.941 1063 S HN 0.335 nan 8.310 nan 0.000 0.576 1064 Y N 0.803 121.129 120.300 0.044 0.000 2.497 1064 Y HA 0.314 4.861 4.550 -0.006 0.000 0.334 1064 Y C 0.984 176.919 175.900 0.059 0.000 1.199 1064 Y CA -0.144 57.991 58.100 0.059 0.000 1.425 1064 Y CB 0.673 39.178 38.460 0.075 0.000 1.291 1064 Y HN 0.392 nan 8.280 nan 0.000 0.562 1065 K N 3.174 123.687 120.400 0.188 0.000 2.259 1065 K HA 0.301 4.617 4.320 -0.006 0.000 0.252 1065 K C -0.558 176.124 176.600 0.137 0.000 0.936 1065 K CA -1.156 55.208 56.287 0.129 0.000 0.810 1065 K CB 1.724 34.272 32.500 0.080 0.000 1.143 1065 K HN 0.497 nan 8.250 nan 0.000 0.427 1066 K N 1.049 121.509 120.400 0.099 0.000 2.485 1066 K HA 0.006 4.323 4.320 -0.006 0.000 0.277 1066 K C 1.118 177.762 176.600 0.073 0.000 0.990 1066 K CA 0.209 56.545 56.287 0.081 0.000 0.994 1066 K CB 0.541 33.063 32.500 0.036 0.000 0.906 1066 K HN 0.526 nan 8.250 nan 0.000 0.488 1067 S N 2.282 118.026 115.700 0.073 0.000 2.359 1067 S HA -0.239 4.228 4.470 -0.006 0.000 0.223 1067 S C 1.912 176.505 174.600 -0.012 0.000 1.039 1067 S CA 1.709 59.950 58.200 0.067 0.000 1.042 1067 S CB -0.140 63.087 63.200 0.046 0.000 0.915 1067 S HN 0.755 nan 8.310 nan 0.000 0.439 1068 A N 1.494 124.264 122.820 -0.084 0.000 1.958 1068 A HA -0.242 4.074 4.320 -0.006 0.000 0.221 1068 A C 2.071 179.639 177.584 -0.027 0.000 1.178 1068 A CA 2.067 54.053 52.037 -0.085 0.000 0.642 1068 A CB -0.680 18.257 19.000 -0.105 0.000 0.816 1068 A HN 0.516 nan 8.150 nan 0.000 0.453 1069 R N -0.386 120.112 120.500 -0.003 0.000 2.073 1069 R HA -0.126 4.210 4.340 -0.006 0.000 0.234 1069 R C 1.977 178.293 176.300 0.027 0.000 1.134 1069 R CA 1.956 58.063 56.100 0.012 0.000 0.952 1069 R CB -0.414 29.899 30.300 0.022 0.000 0.850 1069 R HN 0.584 nan 8.270 nan 0.000 0.433 1070 I N -0.175 120.424 120.570 0.049 0.000 2.133 1070 I HA -0.234 3.932 4.170 -0.006 0.000 0.238 1070 I C 2.348 178.509 176.117 0.073 0.000 1.074 1070 I CA 0.917 62.258 61.300 0.068 0.000 1.342 1070 I CB -0.380 37.676 38.000 0.094 0.000 1.053 1070 I HN -0.022 nan 8.210 nan 0.000 0.404 1071 V N 1.327 121.286 119.914 0.074 0.000 2.469 1071 V HA -0.237 3.879 4.120 -0.006 0.000 0.251 1071 V C 2.457 178.581 176.094 0.050 0.000 1.064 1071 V CA 2.233 64.579 62.300 0.077 0.000 1.066 1071 V CB -1.306 30.556 31.823 0.064 0.000 0.667 1071 V HN 0.636 nan 8.190 nan 0.000 0.461 1072 G N -0.924 107.890 108.800 0.022 0.000 2.484 1072 G HA2 -0.236 3.720 3.960 -0.006 0.000 0.218 1072 G HA3 -0.236 3.720 3.960 -0.006 0.000 0.218 1072 G C 1.260 176.168 174.900 0.014 0.000 1.130 1072 G CA 0.928 46.035 45.100 0.011 0.000 0.784 1072 G HN 0.596 nan 8.290 nan 0.000 0.543 1073 D N -0.305 120.107 120.400 0.021 0.000 2.149 1073 D HA -0.047 4.589 4.640 -0.006 0.000 0.206 1073 D C 2.480 178.775 176.300 -0.009 0.000 0.967 1073 D CA 0.438 54.439 54.000 0.001 0.000 0.848 1073 D CB -0.112 40.695 40.800 0.012 0.000 0.998 1073 D HN -0.001 nan 8.370 nan 0.000 0.474 1074 V N 0.821 120.779 119.914 0.074 0.000 2.469 1074 V HA -0.230 3.887 4.120 -0.006 0.000 0.251 1074 V C 2.334 178.514 176.094 0.143 0.000 1.064 1074 V CA 1.955 64.355 62.300 0.166 0.000 1.066 1074 V CB -0.473 31.490 31.823 0.232 0.000 0.667 1074 V HN 0.427 nan 8.190 nan 0.000 0.461 1075 M N -0.537 119.123 119.600 0.100 0.000 2.388 1075 M HA 0.092 4.569 4.480 -0.006 0.000 0.265 1075 M C 1.705 178.059 176.300 0.091 0.000 1.088 1075 M CA 1.776 57.141 55.300 0.108 0.000 1.134 1075 M CB -0.108 32.540 32.600 0.079 0.000 1.384 1075 M HN 0.263 nan 8.290 nan 0.000 0.447 1076 G N 0.226 109.061 108.800 0.058 0.000 3.042 1076 G HA2 0.053 4.009 3.960 -0.006 0.000 0.212 1076 G HA3 0.053 4.009 3.960 -0.006 0.000 0.212 1076 G C 1.311 176.253 174.900 0.071 0.000 1.166 1076 G CA 0.010 45.161 45.100 0.086 0.000 0.767 1076 G HN 0.435 nan 8.290 nan 0.000 0.546 1077 K N -1.540 118.825 120.400 -0.057 0.000 2.424 1077 K HA 0.248 4.564 4.320 -0.006 0.000 0.198 1077 K C 0.888 177.379 176.600 -0.182 0.000 1.190 1077 K CA 0.211 56.288 56.287 -0.350 0.000 0.935 1077 K CB 0.543 32.502 32.500 -0.902 0.000 1.087 1077 K HN 0.287 nan 8.250 nan 0.000 0.524 1078 Y N -1.399 119.127 120.300 0.376 0.000 2.820 1078 Y HA 0.218 4.764 4.550 -0.007 0.000 0.261 1078 Y C 0.321 176.421 175.900 0.333 0.000 1.123 1078 Y CA -0.292 58.026 58.100 0.365 0.000 1.217 1078 Y CB 0.162 38.809 38.460 0.311 0.000 1.432 1078 Y HN -0.081 nan 8.280 nan 0.000 0.461 1079 H N 3.243 122.478 119.070 0.276 0.000 2.673 1079 H HA 0.385 4.937 4.556 -0.007 0.000 0.293 1079 H C -2.734 172.509 175.328 -0.141 0.000 1.065 1079 H CA -2.616 53.519 56.048 0.145 0.000 1.236 1079 H CB 1.247 31.146 29.762 0.229 0.000 1.389 1079 H HN -0.153 nan 8.280 nan 0.000 0.481 1080 P HA 0.150 nan 4.420 nan 0.000 0.238 1080 P C -1.038 175.633 177.300 -1.048 0.000 1.794 1080 P CA 0.292 62.843 63.100 -0.915 0.000 1.088 1080 P CB 0.030 30.887 31.700 -1.406 0.000 1.923 1081 H N -0.375 118.677 119.070 -0.030 0.000 2.948 1081 H HA 0.334 4.887 4.556 -0.006 0.000 0.315 1081 H C 0.533 175.914 175.328 0.088 0.000 1.360 1081 H CA -1.134 54.938 56.048 0.039 0.000 1.125 1081 H CB 0.854 30.674 29.762 0.097 0.000 1.844 1081 H HN 0.232 nan 8.280 nan 0.000 0.529 1082 G N 0.195 109.117 108.800 0.205 0.000 2.460 1082 G HA2 -0.130 3.827 3.960 -0.006 0.000 0.230 1082 G HA3 -0.130 3.827 3.960 -0.006 0.000 0.230 1082 G C 0.563 175.537 174.900 0.123 0.000 1.248 1082 G CA 0.776 45.952 45.100 0.128 0.000 0.863 1082 G HN 0.734 nan 8.290 nan 0.000 0.549 1083 D N 0.362 120.813 120.400 0.084 0.000 2.097 1083 D HA -0.232 4.404 4.640 -0.006 0.000 0.195 1083 D C 2.474 178.839 176.300 0.109 0.000 0.989 1083 D CA 1.796 55.842 54.000 0.078 0.000 0.827 1083 D CB -0.325 40.492 40.800 0.029 0.000 0.966 1083 D HN 0.487 nan 8.370 nan 0.000 0.456 1084 S N 0.292 116.051 115.700 0.098 0.000 2.407 1084 S HA -0.277 4.189 4.470 -0.006 0.000 0.235 1084 S C 1.946 176.618 174.600 0.121 0.000 1.036 1084 S CA 1.686 59.956 58.200 0.117 0.000 1.013 1084 S CB -0.953 62.298 63.200 0.085 0.000 0.820 1084 S HN 0.452 nan 8.310 nan 0.000 0.476 1085 S N 0.861 116.617 115.700 0.094 0.000 2.503 1085 S HA 0.357 4.823 4.470 -0.006 0.000 0.215 1085 S C 1.714 176.337 174.600 0.038 0.000 1.003 1085 S CA 0.126 58.364 58.200 0.063 0.000 0.910 1085 S CB -0.463 62.765 63.200 0.046 0.000 0.790 1085 S HN 0.501 nan 8.310 nan 0.000 0.514 1086 I N 0.471 121.071 120.570 0.049 0.000 2.233 1086 I HA -0.114 4.052 4.170 -0.006 0.000 0.243 1086 I C 2.478 178.665 176.117 0.117 0.000 1.093 1086 I CA 1.401 62.712 61.300 0.018 0.000 1.380 1086 I CB -0.364 37.658 38.000 0.037 0.000 1.067 1086 I HN 0.228 nan 8.210 nan 0.000 0.413 1087 Y N 2.169 122.480 120.300 0.019 0.000 2.036 1087 Y HA -0.311 4.235 4.550 -0.006 0.000 0.273 1087 Y C 2.480 178.407 175.900 0.045 0.000 1.135 1087 Y CA 1.831 59.950 58.100 0.033 0.000 1.106 1087 Y CB -0.671 37.802 38.460 0.021 0.000 0.976 1087 Y HN 0.126 nan 8.280 nan 0.000 0.483 1088 E N -0.414 119.770 120.200 -0.027 0.000 2.219 1088 E HA -0.251 4.095 4.350 -0.006 0.000 0.198 1088 E C 2.158 178.721 176.600 -0.062 0.000 0.998 1088 E CA 1.047 57.383 56.400 -0.108 0.000 0.818 1088 E CB -0.292 29.409 29.700 0.000 0.000 0.741 1088 E HN 0.569 nan 8.360 nan 0.000 0.477 1089 A N 0.615 123.437 122.820 0.003 0.000 1.898 1089 A HA -0.077 4.239 4.320 -0.006 0.000 0.214 1089 A C 2.052 179.629 177.584 -0.012 0.000 1.183 1089 A CA 0.784 52.859 52.037 0.063 0.000 0.622 1089 A CB -0.331 18.760 19.000 0.152 0.000 0.824 1089 A HN 0.231 nan 8.150 nan 0.000 0.444 1090 M N -0.161 119.434 119.600 -0.009 0.000 2.346 1090 M HA -0.129 4.347 4.480 -0.006 0.000 0.263 1090 M C 1.635 177.889 176.300 -0.077 0.000 1.064 1090 M CA 1.394 56.681 55.300 -0.022 0.000 1.083 1090 M CB -0.127 32.523 32.600 0.084 0.000 1.399 1090 M HN 0.251 nan 8.290 nan 0.000 0.435 1091 V N -0.425 119.403 119.914 -0.142 0.000 2.379 1091 V HA -0.169 3.947 4.120 -0.006 0.000 0.243 1091 V C 2.281 178.309 176.094 -0.109 0.000 1.035 1091 V CA 1.408 63.659 62.300 -0.081 0.000 1.035 1091 V CB -0.630 31.065 31.823 -0.213 0.000 0.673 1091 V HN 0.451 nan 8.190 nan 0.000 0.457 1092 R N -0.553 119.873 120.500 -0.122 0.000 2.117 1092 R HA -0.170 4.166 4.340 -0.006 0.000 0.243 1092 R C 2.252 178.322 176.300 -0.382 0.000 1.143 1092 R CA 1.724 57.758 56.100 -0.112 0.000 0.968 1092 R CB -0.277 30.037 30.300 0.022 0.000 0.863 1092 R HN 0.423 nan 8.270 nan 0.000 0.444 1093 M N -1.142 118.080 119.600 -0.631 0.000 2.460 1093 M HA -0.088 4.388 4.480 -0.006 0.000 0.263 1093 M C 1.718 177.634 176.300 -0.640 0.000 1.071 1093 M CA 1.148 55.780 55.300 -1.114 0.000 1.096 1093 M CB 0.252 32.404 32.600 -0.747 0.000 1.408 1093 M HN 0.194 nan 8.290 nan 0.000 0.463 1094 A N -0.408 122.166 122.820 -0.411 0.000 2.288 1094 A HA 0.083 4.399 4.320 -0.006 0.000 0.216 1094 A C 0.562 177.921 177.584 -0.374 0.000 1.199 1094 A CA -0.340 51.470 52.037 -0.379 0.000 0.891 1094 A CB 0.108 18.818 19.000 -0.483 0.000 0.923 1094 A HN 0.535 nan 8.150 nan 0.000 0.500 1095 Q N 0.690 120.288 119.800 -0.338 0.000 2.274 1095 Q HA 0.356 4.692 4.340 -0.006 0.000 0.256 1095 Q C -0.484 175.267 176.000 -0.415 0.000 0.927 1095 Q CA -0.217 55.320 55.803 -0.442 0.000 0.939 1095 Q CB 1.024 29.413 28.738 -0.581 0.000 1.201 1095 Q HN 0.315 nan 8.270 nan 0.000 0.426 1096 D N 2.483 122.642 120.400 -0.401 0.000 2.350 1096 D HA -0.184 4.453 4.640 -0.006 0.000 0.216 1096 D C 0.704 176.974 176.300 -0.050 0.000 0.968 1096 D CA 0.552 54.449 54.000 -0.172 0.000 0.894 1096 D CB -0.233 40.510 40.800 -0.095 0.000 0.909 1096 D HN 0.648 nan 8.370 nan 0.000 0.520 1097 F N -1.657 118.347 119.950 0.090 0.000 2.660 1097 F HA 0.582 5.105 4.527 -0.006 0.000 0.302 1097 F C 1.295 177.226 175.800 0.218 0.000 1.103 1097 F CA -0.979 57.098 58.000 0.129 0.000 1.340 1097 F CB -0.067 38.986 39.000 0.089 0.000 1.048 1097 F HN -0.114 nan 8.300 nan 0.000 0.551 1098 S N -1.912 113.995 115.700 0.345 0.000 3.472 1098 S HA 0.177 4.643 4.470 -0.006 0.000 0.247 1098 S C -0.555 174.275 174.600 0.382 0.000 1.084 1098 S CA -0.139 58.337 58.200 0.459 0.000 0.795 1098 S CB -0.138 63.285 63.200 0.372 0.000 0.892 1098 S HN 0.136 nan 8.310 nan 0.000 0.513 1099 Y N 3.599 123.934 120.300 0.058 0.000 2.531 1099 Y HA 0.324 4.871 4.550 -0.006 0.000 0.347 1099 Y C 1.261 177.127 175.900 -0.057 0.000 1.024 1099 Y CA -0.803 57.301 58.100 0.007 0.000 1.306 1099 Y CB 0.524 38.969 38.460 -0.025 0.000 1.149 1099 Y HN 0.123 nan 8.280 nan 0.000 0.527 1100 R N 2.605 123.040 120.500 -0.109 0.000 2.091 1100 R HA -0.155 4.181 4.340 -0.006 0.000 0.238 1100 R C -0.768 175.208 176.300 -0.540 0.000 1.136 1100 R CA 1.730 57.625 56.100 -0.341 0.000 0.959 1100 R CB -0.305 29.705 30.300 -0.483 0.000 0.856 1100 R HN 0.558 nan 8.270 nan 0.000 0.437 1101 Y N 0.596 120.915 120.300 0.032 0.000 2.464 1101 Y HA 0.424 4.970 4.550 -0.006 0.000 0.326 1101 Y C -2.152 173.824 175.900 0.125 0.000 0.969 1101 Y CA -3.570 54.554 58.100 0.041 0.000 1.270 1101 Y CB 1.319 39.774 38.460 -0.009 0.000 1.103 1101 Y HN 0.069 nan 8.280 nan 0.000 0.491 1102 P HA 0.120 nan 4.420 nan 0.000 0.268 1102 P C 0.280 177.630 177.300 0.083 0.000 1.205 1102 P CA 0.080 63.244 63.100 0.108 0.000 0.771 1102 P CB 1.135 32.824 31.700 -0.017 0.000 0.858 1103 L N 1.342 122.576 121.223 0.018 0.000 2.664 1103 L HA 0.193 4.530 4.340 -0.006 0.000 0.233 1103 L C 0.468 177.302 176.870 -0.060 0.000 1.113 1103 L CA 0.088 54.937 54.840 0.015 0.000 0.896 1103 L CB 0.318 42.416 42.059 0.065 0.000 1.163 1103 L HN 0.147 nan 8.230 nan 0.000 0.497 1104 V N -1.324 118.512 119.914 -0.129 0.000 3.113 1104 V HA 0.393 4.509 4.120 -0.006 0.000 0.316 1104 V C -1.121 174.870 176.094 -0.171 0.000 1.125 1104 V CA -0.757 61.458 62.300 -0.142 0.000 1.026 1104 V CB 2.645 34.367 31.823 -0.169 0.000 1.080 1104 V HN -0.144 nan 8.190 nan 0.000 0.444 1105 D N 1.154 121.452 120.400 -0.170 0.000 2.408 1105 D HA 0.523 5.159 4.640 -0.006 0.000 0.243 1105 D C 0.050 176.278 176.300 -0.119 0.000 1.075 1105 D CA -0.037 53.876 54.000 -0.145 0.000 0.832 1105 D CB 1.743 42.423 40.800 -0.200 0.000 1.162 1105 D HN 0.748 nan 8.370 nan 0.000 0.515 1106 G N 2.426 111.064 108.800 -0.270 0.000 2.327 1106 G HA2 0.364 4.321 3.960 -0.006 0.000 0.302 1106 G HA3 0.364 4.321 3.960 -0.006 0.000 0.302 1106 G C -0.290 174.649 174.900 0.066 0.000 1.113 1106 G CA -0.412 44.348 45.100 -0.566 0.000 0.921 1106 G HN 0.315 nan 8.290 nan 0.000 0.425 1107 Q N 1.980 122.008 119.800 0.380 0.000 2.700 1107 Q HA 0.587 4.924 4.340 -0.006 0.000 0.249 1107 Q C 0.122 176.305 176.000 0.305 0.000 1.033 1107 Q CA 0.086 55.957 55.803 0.114 0.000 0.804 1107 Q CB 0.580 29.089 28.738 -0.381 0.000 1.164 1107 Q HN 1.030 nan 8.270 nan 0.000 0.500 1108 G N 1.805 110.805 108.800 0.332 0.000 2.343 1108 G HA2 0.006 3.962 3.960 -0.006 0.000 0.289 1108 G HA3 0.006 3.962 3.960 -0.006 0.000 0.289 1108 G C -1.534 173.477 174.900 0.184 0.000 1.295 1108 G CA -0.987 44.212 45.100 0.166 0.000 0.869 1108 G HN 0.380 nan 8.290 nan 0.000 0.522 1109 N N -0.042 118.669 118.700 0.018 0.000 2.434 1109 N HA 0.357 5.093 4.740 -0.006 0.000 0.273 1109 N C -0.412 175.087 175.510 -0.018 0.000 1.210 1109 N CA -0.240 52.825 53.050 0.026 0.000 0.992 1109 N CB -0.478 37.987 38.487 -0.037 0.000 1.355 1109 N HN 0.328 nan 8.380 nan 0.000 0.495 1110 F N 2.617 122.585 119.950 0.031 0.000 2.986 1110 F HA 0.406 4.929 4.527 -0.007 0.000 0.297 1110 F C 1.453 177.263 175.800 0.017 0.000 1.210 1110 F CA 0.317 58.322 58.000 0.007 0.000 1.346 1110 F CB -0.038 38.940 39.000 -0.036 0.000 1.007 1110 F HN 0.636 nan 8.300 nan 0.000 0.512 1111 G N 0.814 109.723 108.800 0.182 0.000 2.814 1111 G HA2 0.042 3.998 3.960 -0.006 0.000 0.677 1111 G HA3 0.042 3.998 3.960 -0.006 0.000 0.677 1111 G C -0.505 174.607 174.900 0.353 0.000 1.429 1111 G CA -0.519 44.712 45.100 0.217 0.000 0.868 1111 G HN 0.679 nan 8.290 nan 0.000 0.553 1112 S N -0.611 115.296 115.700 0.344 0.000 2.661 1112 S HA 0.704 5.170 4.470 -0.006 0.000 0.285 1112 S C 1.266 175.786 174.600 -0.133 0.000 1.138 1112 S CA -0.118 58.220 58.200 0.230 0.000 0.855 1112 S CB 1.830 65.080 63.200 0.083 0.000 1.136 1112 S HN 0.796 nan 8.310 nan 0.000 0.484 1113 M N 0.743 120.016 119.600 -0.546 0.000 2.446 1113 M HA -0.069 4.407 4.480 -0.006 0.000 0.263 1113 M C 0.188 176.316 176.300 -0.286 0.000 1.066 1113 M CA 1.184 56.086 55.300 -0.663 0.000 1.087 1113 M CB -0.748 31.516 32.600 -0.561 0.000 1.406 1113 M HN 0.623 nan 8.290 nan 0.000 0.459 1114 D N 0.229 120.534 120.400 -0.159 0.000 2.363 1114 D HA 0.095 4.732 4.640 -0.006 0.000 0.226 1114 D C 1.304 177.569 176.300 -0.058 0.000 1.020 1114 D CA 0.781 54.727 54.000 -0.090 0.000 0.892 1114 D CB -0.034 40.734 40.800 -0.053 0.000 0.900 1114 D HN 0.523 nan 8.370 nan 0.000 0.531 1115 G N 0.956 109.726 108.800 -0.050 0.000 2.130 1115 G HA2 -0.203 3.753 3.960 -0.006 0.000 0.216 1115 G HA3 -0.203 3.753 3.960 -0.006 0.000 0.216 1115 G C -0.611 174.298 174.900 0.015 0.000 0.999 1115 G CA -0.450 44.641 45.100 -0.015 0.000 0.686 1115 G HN 0.178 nan 8.290 nan 0.000 0.515 1116 D N 0.876 121.294 120.400 0.030 0.000 2.392 1116 D HA 0.538 5.174 4.640 -0.006 0.000 0.228 1116 D C 1.159 177.499 176.300 0.068 0.000 1.074 1116 D CA 0.676 54.701 54.000 0.042 0.000 0.838 1116 D CB 1.069 41.889 40.800 0.034 0.000 1.067 1116 D HN 0.376 nan 8.370 nan 0.000 0.511 1117 G N 1.012 109.848 108.800 0.061 0.000 2.583 1117 G HA2 0.435 4.391 3.960 -0.006 0.000 0.275 1117 G HA3 0.435 4.391 3.960 -0.006 0.000 0.275 1117 G C 0.325 175.262 174.900 0.060 0.000 1.342 1117 G CA -0.191 44.948 45.100 0.064 0.000 1.030 1117 G HN 0.516 nan 8.290 nan 0.000 0.520 1118 A N -0.916 121.927 122.820 0.039 0.000 2.336 1118 A HA 0.759 5.075 4.320 -0.006 0.000 0.278 1118 A C 0.662 178.307 177.584 0.102 0.000 1.371 1118 A CA 0.335 52.381 52.037 0.015 0.000 0.842 1118 A CB 0.059 18.982 19.000 -0.128 0.000 1.363 1118 A HN 1.800 nan 8.150 nan 0.000 0.517 1119 A N -1.059 121.837 122.820 0.126 0.000 2.305 1119 A HA 0.659 4.976 4.320 -0.006 0.000 0.322 1119 A C 0.582 178.347 177.584 0.300 0.000 1.187 1119 A CA -0.014 52.187 52.037 0.273 0.000 0.825 1119 A CB 0.019 19.193 19.000 0.290 0.000 1.164 1119 A HN 2.275 nan 8.150 nan 0.000 0.498 1120 A N 2.110 125.046 122.820 0.192 0.000 2.639 1120 A HA 0.119 4.435 4.320 -0.006 0.000 0.229 1120 A C 1.289 178.682 177.584 -0.318 0.000 1.062 1120 A CA 0.918 52.891 52.037 -0.106 0.000 0.761 1120 A CB -0.532 18.363 19.000 -0.175 0.000 0.988 1120 A HN 1.038 nan 8.150 nan 0.000 0.510 1121 M N 0.989 120.219 119.600 -0.616 0.000 2.195 1121 M HA -0.265 4.211 4.480 -0.006 0.000 0.254 1121 M C 2.346 178.454 176.300 -0.320 0.000 1.083 1121 M CA 2.397 57.322 55.300 -0.625 0.000 1.069 1121 M CB -0.338 31.947 32.600 -0.525 0.000 1.364 1121 M HN 0.873 nan 8.290 nan 0.000 0.403 1122 R N -0.123 120.160 120.500 -0.361 0.000 2.189 1122 R HA -0.074 4.262 4.340 -0.006 0.000 0.218 1122 R C 1.681 177.848 176.300 -0.221 0.000 1.074 1122 R CA 1.315 57.223 56.100 -0.319 0.000 0.991 1122 R CB -0.946 29.115 30.300 -0.398 0.000 0.883 1122 R HN 0.373 nan 8.270 nan 0.000 0.457 1123 F N 2.265 122.170 119.950 -0.074 0.000 2.104 1123 F HA -0.027 4.497 4.527 -0.006 0.000 0.288 1123 F C 1.589 177.365 175.800 -0.040 0.000 1.107 1123 F CA 0.921 58.890 58.000 -0.052 0.000 1.208 1123 F CB -0.308 38.657 39.000 -0.057 0.000 1.033 1123 F HN 0.041 nan 8.300 nan 0.000 0.478 1124 T N -0.085 114.563 114.554 0.157 0.000 2.910 1124 T HA 0.344 4.690 4.350 -0.006 0.000 0.293 1124 T C -0.489 174.303 174.700 0.154 0.000 1.015 1124 T CA -0.661 61.481 62.100 0.071 0.000 1.094 1124 T CB 1.455 70.203 68.868 -0.200 0.000 0.968 1124 T HN 0.171 nan 8.240 nan 0.000 0.521 1125 E N 0.514 120.867 120.200 0.256 0.000 2.334 1125 E HA 0.778 5.124 4.350 -0.006 0.000 0.256 1125 E C -0.667 176.231 176.600 0.497 0.000 0.958 1125 E CA -1.566 55.024 56.400 0.316 0.000 0.821 1125 E CB 2.101 31.973 29.700 0.287 0.000 1.269 1125 E HN 0.999 nan 8.360 nan 0.000 0.413 1126 A N 0.398 123.464 122.820 0.411 0.000 2.544 1126 A HA 0.697 5.013 4.320 -0.006 0.000 0.291 1126 A C -1.390 176.192 177.584 -0.004 0.000 1.055 1126 A CA -0.828 51.380 52.037 0.286 0.000 0.651 1126 A CB 1.363 20.536 19.000 0.289 0.000 1.296 1126 A HN 0.720 nan 8.150 nan 0.000 0.431 1127 R N -0.703 119.700 120.500 -0.162 0.000 3.014 1127 R HA 0.751 5.087 4.340 -0.006 0.000 0.262 1127 R C -0.937 175.278 176.300 -0.142 0.000 1.066 1127 R CA -1.047 54.941 56.100 -0.187 0.000 0.939 1127 R CB 0.551 30.648 30.300 -0.338 0.000 1.372 1127 R HN 0.589 nan 8.270 nan 0.000 0.431 1128 M N 2.108 121.641 119.600 -0.112 0.000 2.235 1128 M HA 0.228 4.704 4.480 -0.006 0.000 0.351 1128 M C 0.115 176.368 176.300 -0.079 0.000 1.178 1128 M CA -0.477 54.781 55.300 -0.071 0.000 1.143 1128 M CB 1.480 34.059 32.600 -0.034 0.000 1.530 1128 M HN 0.770 nan 8.290 nan 0.000 0.461 1129 T N -0.496 114.026 114.554 -0.055 0.000 2.748 1129 T HA 0.176 4.522 4.350 -0.006 0.000 0.304 1129 T C 0.929 175.629 174.700 0.000 0.000 1.041 1129 T CA -0.566 61.517 62.100 -0.028 0.000 1.033 1129 T CB 0.990 69.848 68.868 -0.016 0.000 0.995 1129 T HN 0.627 nan 8.240 nan 0.000 0.536 1130 K N -0.020 120.410 120.400 0.050 0.000 2.148 1130 K HA 0.027 4.344 4.320 -0.006 0.000 0.204 1130 K C 2.066 178.697 176.600 0.052 0.000 1.050 1130 K CA 0.866 57.219 56.287 0.110 0.000 0.942 1130 K CB -0.338 32.291 32.500 0.214 0.000 0.724 1130 K HN 0.618 nan 8.250 nan 0.000 0.446 1131 I N 1.151 121.654 120.570 -0.112 0.000 2.493 1131 I HA -0.216 3.951 4.170 -0.006 0.000 0.254 1131 I C 1.482 177.432 176.117 -0.279 0.000 1.160 1131 I CA 1.224 62.159 61.300 -0.609 0.000 1.445 1131 I CB 0.030 37.594 38.000 -0.726 0.000 1.086 1131 I HN 0.058 nan 8.210 nan 0.000 0.433 1132 T N 1.432 115.948 114.554 -0.063 0.000 3.007 1132 T HA -0.039 4.308 4.350 -0.006 0.000 0.270 1132 T C 1.705 176.438 174.700 0.054 0.000 1.107 1132 T CA 0.931 63.057 62.100 0.045 0.000 1.118 1132 T CB -0.153 68.734 68.868 0.032 0.000 0.889 1132 T HN 0.333 nan 8.240 nan 0.000 0.506 1133 L N 0.407 121.646 121.223 0.027 0.000 2.240 1133 L HA 0.031 4.368 4.340 -0.006 0.000 0.211 1133 L C 2.623 179.535 176.870 0.070 0.000 1.106 1133 L CA 0.730 55.602 54.840 0.053 0.000 0.793 1133 L CB -0.276 41.820 42.059 0.061 0.000 0.927 1133 L HN 0.078 nan 8.230 nan 0.000 0.446 1134 E N 0.392 120.625 120.200 0.055 0.000 2.107 1134 E HA -0.126 4.221 4.350 -0.006 0.000 0.191 1134 E C 2.357 179.053 176.600 0.159 0.000 0.982 1134 E CA 0.958 57.420 56.400 0.104 0.000 0.809 1134 E CB -0.227 29.496 29.700 0.038 0.000 0.756 1134 E HN 0.462 nan 8.360 nan 0.000 0.459 1135 L N 0.347 121.679 121.223 0.182 0.000 1.989 1135 L HA -0.158 4.178 4.340 -0.006 0.000 0.211 1135 L C 2.072 178.993 176.870 0.085 0.000 1.071 1135 L CA 1.098 55.998 54.840 0.100 0.000 0.749 1135 L CB -0.430 41.673 42.059 0.073 0.000 0.890 1135 L HN 0.090 nan 8.230 nan 0.000 0.431 1136 L N -0.048 121.231 121.223 0.093 0.000 2.688 1136 L HA 0.134 4.471 4.340 -0.006 0.000 0.234 1136 L C 0.783 177.707 176.870 0.090 0.000 1.192 1136 L CA -0.411 54.490 54.840 0.100 0.000 0.984 1136 L CB -0.590 41.539 42.059 0.117 0.000 1.232 1136 L HN 0.173 nan 8.230 nan 0.000 0.465 1137 R N 0.707 121.255 120.500 0.081 0.000 2.442 1137 R HA 0.065 4.401 4.340 -0.006 0.000 0.291 1137 R C 0.135 176.466 176.300 0.052 0.000 1.069 1137 R CA 0.366 56.507 56.100 0.069 0.000 1.022 1137 R CB 0.215 30.560 30.300 0.076 0.000 0.976 1137 R HN 0.140 nan 8.270 nan 0.000 0.443 1138 D N 2.469 122.892 120.400 0.038 0.000 2.946 1138 D HA -0.242 4.395 4.640 -0.006 0.000 0.202 1138 D C 0.611 176.913 176.300 0.002 0.000 1.068 1138 D CA 1.396 55.401 54.000 0.008 0.000 1.011 1138 D CB -1.324 39.475 40.800 -0.002 0.000 1.105 1138 D HN 0.677 nan 8.370 nan 0.000 0.425 1139 I N 0.125 120.727 120.570 0.052 0.000 3.164 1139 I HA -0.158 4.008 4.170 -0.006 0.000 0.278 1139 I C 1.190 177.402 176.117 0.159 0.000 1.320 1139 I CA 1.310 62.672 61.300 0.103 0.000 1.422 1139 I CB 0.110 38.216 38.000 0.176 0.000 1.066 1139 I HN 0.038 nan 8.210 nan 0.000 0.503 1140 N N 0.192 118.921 118.700 0.048 0.000 2.257 1140 N HA 0.113 4.849 4.740 -0.006 0.000 0.200 1140 N C 0.323 175.703 175.510 -0.217 0.000 1.163 1140 N CA 0.260 53.308 53.050 -0.004 0.000 0.891 1140 N CB 0.296 38.786 38.487 0.005 0.000 1.067 1140 N HN 0.318 nan 8.380 nan 0.000 0.497 1141 K N 1.565 121.757 120.400 -0.347 0.000 2.862 1141 K HA 0.071 4.388 4.320 -0.006 0.000 0.229 1141 K C -0.729 175.424 176.600 -0.744 0.000 1.107 1141 K CA -0.233 55.507 56.287 -0.911 0.000 1.222 1141 K CB -0.195 31.989 32.500 -0.526 0.000 1.067 1141 K HN -0.049 nan 8.250 nan 0.000 0.464 1142 D N 1.403 121.582 120.400 -0.369 0.000 3.278 1142 D HA -0.179 4.458 4.640 -0.006 0.000 0.233 1142 D C 0.465 176.730 176.300 -0.058 0.000 1.149 1142 D CA 1.410 55.356 54.000 -0.090 0.000 0.957 1142 D CB -0.703 40.122 40.800 0.042 0.000 0.913 1142 D HN 0.541 nan 8.370 nan 0.000 0.409 1143 T N -0.172 114.347 114.554 -0.057 0.000 3.048 1143 T HA 0.310 4.656 4.350 -0.006 0.000 0.254 1143 T C 0.948 175.586 174.700 -0.102 0.000 0.942 1143 T CA 0.380 62.433 62.100 -0.078 0.000 0.931 1143 T CB -0.180 68.634 68.868 -0.090 0.000 1.220 1143 T HN 0.512 nan 8.240 nan 0.000 0.503 1144 I N -0.833 119.658 120.570 -0.132 0.000 3.133 1144 I HA 0.802 4.968 4.170 -0.006 0.000 0.311 1144 I C -1.499 174.450 176.117 -0.280 0.000 1.072 1144 I CA -1.141 60.045 61.300 -0.190 0.000 1.015 1144 I CB 1.298 39.172 38.000 -0.211 0.000 1.233 1144 I HN -0.230 nan 8.210 nan 0.000 0.473 1145 D N 1.826 122.046 120.400 -0.301 0.000 2.193 1145 D HA 0.362 4.999 4.640 -0.006 0.000 0.244 1145 D C -1.350 174.740 176.300 -0.350 0.000 1.064 1145 D CA 0.284 54.153 54.000 -0.218 0.000 0.845 1145 D CB 1.402 42.140 40.800 -0.104 0.000 1.148 1145 D HN 0.372 nan 8.370 nan 0.000 0.464 1146 F N 2.808 122.736 119.950 -0.036 0.000 2.361 1146 F HA 0.298 4.825 4.527 0.000 0.000 0.364 1146 F C 1.078 176.864 175.800 -0.022 0.000 1.120 1146 F CA -0.892 57.079 58.000 -0.048 0.000 1.102 1146 F CB 0.740 39.718 39.000 -0.037 0.000 1.183 1146 F HN 0.188 nan 8.300 nan 0.000 0.476 1147 I N -0.809 119.845 120.570 0.139 0.000 3.223 1147 I HA 0.532 4.699 4.170 -0.006 0.000 0.317 1147 I C -0.257 175.939 176.117 0.131 0.000 1.050 1147 I CA -0.830 60.532 61.300 0.103 0.000 1.069 1147 I CB 0.810 38.842 38.000 0.053 0.000 1.406 1147 I HN 0.244 nan 8.210 nan 0.000 0.596 1148 D N 1.544 122.009 120.400 0.108 0.000 2.348 1148 D HA 0.226 4.862 4.640 -0.006 0.000 0.249 1148 D C -0.183 176.191 176.300 0.124 0.000 1.110 1148 D CA -0.097 53.970 54.000 0.112 0.000 0.967 1148 D CB 0.928 41.785 40.800 0.096 0.000 1.139 1148 D HN 0.706 nan 8.370 nan 0.000 0.466 1149 N N -0.643 118.137 118.700 0.134 0.000 2.443 1149 N HA -0.000 4.736 4.740 -0.006 0.000 0.294 1149 N C 0.769 176.360 175.510 0.136 0.000 1.289 1149 N CA -0.241 52.915 53.050 0.177 0.000 0.966 1149 N CB -0.480 38.134 38.487 0.212 0.000 1.122 1149 N HN 0.551 nan 8.380 nan 0.000 0.569 1150 Y N -2.701 117.668 120.300 0.115 0.000 2.632 1150 Y HA 0.183 4.731 4.550 -0.003 0.000 0.301 1150 Y C 0.346 176.320 175.900 0.124 0.000 1.172 1150 Y CA 0.772 58.933 58.100 0.102 0.000 1.328 1150 Y CB -0.342 38.140 38.460 0.038 0.000 1.016 1150 Y HN 0.604 nan 8.280 nan 0.000 0.529 1151 D N -0.956 119.242 120.400 -0.336 0.000 2.562 1151 D HA 0.093 4.729 4.640 -0.006 0.000 0.246 1151 D C 1.330 177.558 176.300 -0.120 0.000 1.347 1151 D CA 0.264 54.111 54.000 -0.254 0.000 0.800 1151 D CB -0.175 40.317 40.800 -0.513 0.000 1.111 1151 D HN 0.365 nan 8.370 nan 0.000 0.508 1152 G N 1.620 110.384 108.800 -0.059 0.000 2.341 1152 G HA2 -0.345 3.612 3.960 -0.006 0.000 0.292 1152 G HA3 -0.345 3.612 3.960 -0.006 0.000 0.292 1152 G C 0.671 175.583 174.900 0.021 0.000 1.021 1152 G CA 0.677 45.791 45.100 0.023 0.000 0.905 1152 G HN 0.381 nan 8.290 nan 0.000 0.508 1153 N N -0.154 118.526 118.700 -0.033 0.000 2.348 1153 N HA 0.182 4.918 4.740 -0.006 0.000 0.183 1153 N C 0.838 176.346 175.510 -0.003 0.000 1.094 1153 N CA 1.041 54.074 53.050 -0.028 0.000 0.885 1153 N CB 0.436 38.878 38.487 -0.075 0.000 1.065 1153 N HN 0.797 nan 8.380 nan 0.000 0.472 1154 E N -0.543 119.671 120.200 0.022 0.000 2.449 1154 E HA 0.413 4.759 4.350 -0.006 0.000 0.278 1154 E C -0.872 175.801 176.600 0.122 0.000 0.992 1154 E CA -0.844 55.600 56.400 0.074 0.000 0.807 1154 E CB 1.682 31.446 29.700 0.108 0.000 1.350 1154 E HN -0.171 nan 8.360 nan 0.000 0.462 1155 R N 1.733 122.312 120.500 0.132 0.000 2.368 1155 R HA 0.349 4.685 4.340 -0.006 0.000 0.302 1155 R C -0.230 176.202 176.300 0.220 0.000 1.002 1155 R CA -0.389 55.789 56.100 0.129 0.000 0.929 1155 R CB 1.088 31.370 30.300 -0.030 0.000 1.073 1155 R HN 0.746 nan 8.270 nan 0.000 0.464 1156 E N 3.199 123.524 120.200 0.208 0.000 2.378 1156 E HA 0.631 4.977 4.350 -0.006 0.000 0.265 1156 E C -2.687 173.942 176.600 0.049 0.000 0.932 1156 E CA -2.223 54.181 56.400 0.005 0.000 0.795 1156 E CB 2.849 32.507 29.700 -0.070 0.000 1.296 1156 E HN 0.158 nan 8.360 nan 0.000 0.438 1157 P HA 0.095 nan 4.420 nan 0.000 0.298 1157 P C 0.272 177.348 177.300 -0.374 0.000 1.314 1157 P CA -0.579 62.157 63.100 -0.607 0.000 0.854 1157 P CB 1.851 33.081 31.700 -0.784 0.000 1.019 1158 S N 2.361 117.861 115.700 -0.333 0.000 2.406 1158 S HA 0.072 4.539 4.470 -0.006 0.000 0.228 1158 S C 0.859 175.354 174.600 -0.174 0.000 1.020 1158 S CA 0.670 58.756 58.200 -0.189 0.000 0.965 1158 S CB -0.381 62.728 63.200 -0.152 0.000 0.798 1158 S HN 0.478 nan 8.310 nan 0.000 0.488 1159 V N 0.346 120.129 119.914 -0.219 0.000 3.177 1159 V HA 0.412 4.528 4.120 -0.006 0.000 0.287 1159 V C -1.812 174.183 176.094 -0.164 0.000 1.465 1159 V CA -1.257 60.940 62.300 -0.171 0.000 1.020 1159 V CB 1.938 33.670 31.823 -0.150 0.000 1.152 1159 V HN 0.441 nan 8.190 nan 0.000 0.448 1160 L N 5.551 126.702 121.223 -0.120 0.000 2.375 1160 L HA 0.471 4.807 4.340 -0.006 0.000 0.271 1160 L C -1.659 175.237 176.870 0.044 0.000 1.107 1160 L CA -1.627 53.179 54.840 -0.058 0.000 0.806 1160 L CB 1.099 43.138 42.059 -0.034 0.000 1.146 1160 L HN 0.462 nan 8.230 nan 0.000 0.447 1161 P HA -0.147 nan 4.420 nan 0.000 0.231 1161 P C 0.393 177.802 177.300 0.182 0.000 1.154 1161 P CA 0.368 63.555 63.100 0.144 0.000 0.762 1161 P CB -0.056 31.672 31.700 0.048 0.000 0.790 1162 A N 0.770 123.654 122.820 0.107 0.000 1.600 1162 A HA -0.236 4.080 4.320 -0.006 0.000 0.269 1162 A C 1.310 178.970 177.584 0.127 0.000 1.116 1162 A CA 0.614 52.667 52.037 0.028 0.000 1.028 1162 A CB -0.655 18.299 19.000 -0.076 0.000 1.026 1162 A HN 0.132 nan 8.150 nan 0.000 0.277 1163 R N 0.138 120.728 120.500 0.151 0.000 2.346 1163 R HA 0.142 4.478 4.340 -0.006 0.000 0.199 1163 R C 0.163 176.670 176.300 0.345 0.000 1.015 1163 R CA 0.886 57.114 56.100 0.214 0.000 1.058 1163 R CB -1.191 29.215 30.300 0.178 0.000 0.921 1163 R HN 0.919 nan 8.270 nan 0.000 0.475 1164 F N -2.982 117.042 119.950 0.123 0.000 2.631 1164 F HA 0.524 5.047 4.527 -0.007 0.000 0.308 1164 F C -2.681 173.040 175.800 -0.132 0.000 1.097 1164 F CA -3.262 54.750 58.000 0.019 0.000 0.952 1164 F CB 1.609 40.528 39.000 -0.135 0.000 1.307 1164 F HN -0.301 nan 8.300 nan 0.000 0.450 1165 P HA 0.081 nan 4.420 nan 0.000 0.237 1165 P C 0.179 177.140 177.300 -0.564 0.000 1.701 1165 P CA 0.497 63.005 63.100 -0.988 0.000 0.955 1165 P CB -0.181 31.052 31.700 -0.777 0.000 1.937 1166 N N 1.370 119.685 118.700 -0.641 0.000 2.137 1166 N HA -0.205 4.532 4.740 -0.006 0.000 0.190 1166 N C 1.448 176.809 175.510 -0.249 0.000 1.017 1166 N CA 1.076 53.810 53.050 -0.526 0.000 0.859 1166 N CB -0.651 37.473 38.487 -0.604 0.000 1.002 1166 N HN 0.071 nan 8.380 nan 0.000 0.428 1167 L N 0.496 121.581 121.223 -0.230 0.000 1.990 1167 L HA -0.097 4.239 4.340 -0.006 0.000 0.213 1167 L C 1.889 178.705 176.870 -0.090 0.000 1.072 1167 L CA 1.729 56.490 54.840 -0.132 0.000 0.755 1167 L CB -0.944 41.048 42.059 -0.111 0.000 0.889 1167 L HN 0.344 nan 8.230 nan 0.000 0.432 1168 L N -1.205 119.948 121.223 -0.117 0.000 2.131 1168 L HA -0.030 4.307 4.340 -0.006 0.000 0.206 1168 L C 2.613 179.533 176.870 0.084 0.000 1.087 1168 L CA 0.743 55.562 54.840 -0.033 0.000 0.767 1168 L CB -0.817 41.112 42.059 -0.216 0.000 0.917 1168 L HN 0.367 nan 8.230 nan 0.000 0.441 1169 A N 0.793 123.624 122.820 0.018 0.000 1.859 1169 A HA -0.259 4.058 4.320 -0.006 0.000 0.218 1169 A C 2.055 179.706 177.584 0.112 0.000 1.209 1169 A CA 2.404 54.534 52.037 0.156 0.000 0.639 1169 A CB -0.550 18.590 19.000 0.233 0.000 0.835 1169 A HN 0.431 nan 8.150 nan 0.000 0.450 1170 N N -1.545 117.156 118.700 0.001 0.000 2.439 1170 N HA 0.280 5.016 4.740 -0.006 0.000 0.176 1170 N C 1.156 176.522 175.510 -0.239 0.000 1.029 1170 N CA 1.324 54.258 53.050 -0.193 0.000 0.886 1170 N CB 0.462 38.735 38.487 -0.356 0.000 1.057 1170 N HN 0.772 nan 8.380 nan 0.000 0.437 1171 G N 0.529 109.250 108.800 -0.132 0.000 2.484 1171 G HA2 0.222 4.178 3.960 -0.006 0.000 0.225 1171 G HA3 0.222 4.178 3.960 -0.006 0.000 0.225 1171 G C -0.980 173.900 174.900 -0.033 0.000 1.250 1171 G CA 0.001 45.067 45.100 -0.057 0.000 0.926 1171 G HN 0.786 nan 8.290 nan 0.000 0.581 1172 A N -2.650 120.199 122.820 0.048 0.000 2.522 1172 A HA 0.881 5.197 4.320 -0.006 0.000 0.294 1172 A C -0.306 177.366 177.584 0.146 0.000 1.001 1172 A CA 0.939 53.033 52.037 0.096 0.000 0.642 1172 A CB 0.517 19.568 19.000 0.085 0.000 1.326 1172 A HN 2.199 nan 8.150 nan 0.000 0.435 1173 S N -0.026 115.761 115.700 0.145 0.000 2.730 1173 S HA 0.510 4.976 4.470 -0.006 0.000 0.150 1173 S C -0.068 174.583 174.600 0.086 0.000 1.139 1173 S CA 0.046 58.325 58.200 0.132 0.000 1.155 1173 S CB 0.522 63.837 63.200 0.192 0.000 1.682 1173 S HN 1.757 nan 8.310 nan 0.000 0.452 1174 G N 1.047 109.882 108.800 0.059 0.000 2.473 1174 G HA2 0.750 4.707 3.960 -0.006 0.000 0.321 1174 G HA3 0.750 4.707 3.960 -0.006 0.000 0.321 1174 G C -0.788 174.116 174.900 0.006 0.000 1.200 1174 G CA -0.646 44.474 45.100 0.033 0.000 0.963 1174 G HN 0.382 nan 8.290 nan 0.000 0.483 1175 I N 1.861 122.428 120.570 -0.005 0.000 2.354 1175 I HA 0.389 4.555 4.170 -0.006 0.000 0.286 1175 I C 0.846 176.942 176.117 -0.035 0.000 1.007 1175 I CA -0.560 60.731 61.300 -0.014 0.000 1.167 1175 I CB 0.815 38.812 38.000 -0.006 0.000 1.320 1175 I HN 0.588 nan 8.210 nan 0.000 0.458 1176 A N 7.260 130.056 122.820 -0.040 0.000 2.896 1176 A HA 0.690 5.006 4.320 -0.006 0.000 0.232 1176 A C -0.094 177.451 177.584 -0.065 0.000 1.809 1176 A CA -0.311 51.683 52.037 -0.071 0.000 0.855 1176 A CB 0.445 19.410 19.000 -0.059 0.000 1.773 1176 A HN 0.401 nan 8.150 nan 0.000 0.644 1177 V N -0.798 119.070 119.914 -0.078 0.000 2.448 1177 V HA 0.569 4.685 4.120 -0.006 0.000 0.295 1177 V C 1.049 177.169 176.094 0.042 0.000 1.025 1177 V CA 0.723 63.010 62.300 -0.023 0.000 0.859 1177 V CB 0.408 32.172 31.823 -0.097 0.000 0.988 1177 V HN 1.908 nan 8.190 nan 0.000 0.431 1178 G N 4.560 113.409 108.800 0.082 0.000 2.363 1178 G HA2 -0.226 3.731 3.960 -0.006 0.000 0.238 1178 G HA3 -0.226 3.731 3.960 -0.006 0.000 0.238 1178 G C 0.112 175.044 174.900 0.054 0.000 1.062 1178 G CA 0.638 45.789 45.100 0.085 0.000 0.629 1178 G HN 0.821 nan 8.290 nan 0.000 0.514 1179 M N -1.560 118.060 119.600 0.034 0.000 2.791 1179 M HA 0.894 5.370 4.480 -0.006 0.000 0.286 1179 M C -0.533 175.770 176.300 0.005 0.000 1.238 1179 M CA -0.555 54.757 55.300 0.020 0.000 0.762 1179 M CB 2.019 34.630 32.600 0.018 0.000 1.758 1179 M HN 1.593 nan 8.290 nan 0.000 0.447 1180 A N 0.426 123.245 122.820 -0.002 0.000 2.577 1180 A HA 0.673 4.990 4.320 -0.006 0.000 0.297 1180 A C -1.141 176.436 177.584 -0.012 0.000 1.060 1180 A CA -0.470 51.561 52.037 -0.010 0.000 0.697 1180 A CB 1.776 20.768 19.000 -0.013 0.000 1.281 1180 A HN 0.867 nan 8.150 nan 0.000 0.402 1181 T N 0.551 115.100 114.554 -0.009 0.000 2.945 1181 T HA 0.695 5.041 4.350 -0.006 0.000 0.286 1181 T C -0.889 173.811 174.700 -0.000 0.000 1.025 1181 T CA -0.414 61.686 62.100 0.000 0.000 1.039 1181 T CB 0.651 69.525 68.868 0.009 0.000 1.068 1181 T HN 0.752 nan 8.240 nan 0.000 0.497 1182 N N 2.572 121.283 118.700 0.017 0.000 2.752 1182 N HA 0.357 5.093 4.740 -0.006 0.000 0.268 1182 N C -1.744 173.876 175.510 0.184 0.000 1.190 1182 N CA -0.336 52.741 53.050 0.045 0.000 0.897 1182 N CB 0.653 39.043 38.487 -0.161 0.000 1.515 1182 N HN 0.566 nan 8.380 nan 0.000 0.567 1183 I N 3.406 124.134 120.570 0.263 0.000 2.436 1183 I HA 0.499 4.666 4.170 -0.006 0.000 0.289 1183 I C -2.260 173.987 176.117 0.216 0.000 1.010 1183 I CA -2.058 59.388 61.300 0.243 0.000 1.098 1183 I CB 2.507 40.583 38.000 0.127 0.000 1.266 1183 I HN 0.240 nan 8.210 nan 0.000 0.434 1184 P HA 0.369 nan 4.420 nan 0.000 0.279 1184 P C -2.631 174.328 177.300 -0.568 0.000 1.252 1184 P CA -1.848 60.941 63.100 -0.518 0.000 0.811 1184 P CB 0.182 31.355 31.700 -0.878 0.000 1.035 1185 P HA 0.278 nan 4.420 nan 0.000 0.274 1185 P C -0.920 175.916 177.300 -0.773 0.000 1.231 1185 P CA 0.150 62.909 63.100 -0.569 0.000 0.790 1185 P CB 0.388 31.730 31.700 -0.597 0.000 0.951 1186 H N -0.881 118.041 119.070 -0.247 0.000 2.797 1186 H HA 0.309 4.861 4.556 -0.006 0.000 0.372 1186 H C 0.235 175.533 175.328 -0.050 0.000 1.168 1186 H CA -0.792 55.152 56.048 -0.173 0.000 1.163 1186 H CB 1.079 30.787 29.762 -0.090 0.000 1.778 1186 H HN 0.338 nan 8.280 nan 0.000 0.551 1187 N N 1.593 120.335 118.700 0.071 0.000 2.492 1187 N HA -0.074 4.662 4.740 -0.006 0.000 0.260 1187 N C 0.519 176.129 175.510 0.166 0.000 1.215 1187 N CA -0.033 53.091 53.050 0.123 0.000 0.923 1187 N CB 0.887 39.408 38.487 0.057 0.000 1.092 1187 N HN 0.484 nan 8.380 nan 0.000 0.448 1188 L N 3.848 125.200 121.223 0.215 0.000 2.249 1188 L HA 0.067 4.403 4.340 -0.006 0.000 0.207 1188 L C 2.073 178.952 176.870 0.015 0.000 1.090 1188 L CA 1.545 56.413 54.840 0.047 0.000 0.802 1188 L CB -0.823 41.094 42.059 -0.238 0.000 0.947 1188 L HN 0.646 nan 8.230 nan 0.000 0.453 1189 T N -0.469 114.107 114.554 0.037 0.000 2.915 1189 T HA -0.122 4.224 4.350 -0.006 0.000 0.269 1189 T C 1.621 176.329 174.700 0.014 0.000 1.071 1189 T CA 1.471 63.584 62.100 0.021 0.000 1.132 1189 T CB -0.106 68.777 68.868 0.026 0.000 0.878 1189 T HN 0.441 nan 8.240 nan 0.000 0.479 1190 E N 0.877 121.089 120.200 0.020 0.000 2.028 1190 E HA -0.023 4.324 4.350 -0.006 0.000 0.191 1190 E C 2.209 178.797 176.600 -0.021 0.000 0.988 1190 E CA 0.825 57.226 56.400 0.001 0.000 0.799 1190 E CB -0.274 29.433 29.700 0.012 0.000 0.755 1190 E HN 0.389 nan 8.360 nan 0.000 0.447 1191 L N 0.753 121.964 121.223 -0.021 0.000 2.042 1191 L HA -0.220 4.117 4.340 -0.006 0.000 0.210 1191 L C 2.449 179.294 176.870 -0.041 0.000 1.076 1191 L CA 1.132 55.936 54.840 -0.061 0.000 0.749 1191 L CB -0.457 41.555 42.059 -0.079 0.000 0.893 1191 L HN 0.182 nan 8.230 nan 0.000 0.432 1192 I N -0.665 119.899 120.570 -0.010 0.000 2.353 1192 I HA -0.210 3.957 4.170 -0.006 0.000 0.248 1192 I C 2.104 178.230 176.117 0.014 0.000 1.119 1192 I CA 0.778 62.090 61.300 0.020 0.000 1.417 1192 I CB -0.519 37.503 38.000 0.037 0.000 1.078 1192 I HN 0.273 nan 8.210 nan 0.000 0.421 1193 N N 1.501 120.202 118.700 0.001 0.000 2.166 1193 N HA -0.120 4.616 4.740 -0.006 0.000 0.186 1193 N C 1.960 177.461 175.510 -0.015 0.000 1.019 1193 N CA 1.643 54.690 53.050 -0.005 0.000 0.856 1193 N CB -0.608 37.874 38.487 -0.009 0.000 0.993 1193 N HN 0.456 nan 8.380 nan 0.000 0.426 1194 G N 0.172 108.955 108.800 -0.030 0.000 2.403 1194 G HA2 -0.112 3.844 3.960 -0.006 0.000 0.216 1194 G HA3 -0.112 3.844 3.960 -0.006 0.000 0.216 1194 G C 1.698 176.583 174.900 -0.025 0.000 1.154 1194 G CA 0.408 45.479 45.100 -0.047 0.000 0.784 1194 G HN 0.187 nan 8.290 nan 0.000 0.538 1195 V N 0.808 120.722 119.914 -0.000 0.000 2.379 1195 V HA -0.014 4.102 4.120 -0.006 0.000 0.245 1195 V C 2.868 178.982 176.094 0.033 0.000 1.044 1195 V CA 0.989 63.314 62.300 0.041 0.000 1.036 1195 V CB -0.271 31.619 31.823 0.112 0.000 0.664 1195 V HN 0.323 nan 8.190 nan 0.000 0.453 1196 L N -0.233 121.005 121.223 0.025 0.000 2.042 1196 L HA -0.187 4.149 4.340 -0.006 0.000 0.210 1196 L C 2.621 179.493 176.870 0.004 0.000 1.076 1196 L CA 1.712 56.561 54.840 0.016 0.000 0.749 1196 L CB -0.679 41.389 42.059 0.014 0.000 0.893 1196 L HN 0.328 nan 8.230 nan 0.000 0.432 1197 S N 0.077 115.775 115.700 -0.004 0.000 2.383 1197 S HA -0.199 4.268 4.470 -0.006 0.000 0.229 1197 S C 1.858 176.452 174.600 -0.011 0.000 1.030 1197 S CA 1.336 59.530 58.200 -0.011 0.000 1.002 1197 S CB -0.298 62.890 63.200 -0.020 0.000 0.829 1197 S HN 0.280 nan 8.310 nan 0.000 0.467 1198 L N 2.042 123.260 121.223 -0.008 0.000 2.093 1198 L HA -0.076 4.260 4.340 -0.006 0.000 0.208 1198 L C 2.373 179.238 176.870 -0.008 0.000 1.085 1198 L CA 1.779 56.614 54.840 -0.008 0.000 0.755 1198 L CB -0.641 41.417 42.059 -0.002 0.000 0.904 1198 L HN 0.395 nan 8.230 nan 0.000 0.435 1199 S N -1.428 114.270 115.700 -0.003 0.000 2.423 1199 S HA -0.190 4.277 4.470 -0.006 0.000 0.231 1199 S C 1.942 176.536 174.600 -0.011 0.000 1.014 1199 S CA 1.074 59.269 58.200 -0.008 0.000 0.965 1199 S CB -0.475 62.722 63.200 -0.004 0.000 0.785 1199 S HN 0.491 nan 8.310 nan 0.000 0.495 1200 K N 1.007 121.402 120.400 -0.009 0.000 2.365 1200 K HA 0.182 4.498 4.320 -0.006 0.000 0.197 1200 K C 0.182 176.775 176.600 -0.012 0.000 1.042 1200 K CA 0.519 56.800 56.287 -0.010 0.000 0.987 1200 K CB 0.038 32.533 32.500 -0.008 0.000 0.779 1200 K HN 0.465 nan 8.250 nan 0.000 0.484 1201 N N -0.400 118.292 118.700 -0.013 0.000 2.747 1201 N HA 0.142 4.879 4.740 -0.006 0.000 0.262 1201 N C -2.683 172.817 175.510 -0.015 0.000 1.261 1201 N CA -1.439 51.603 53.050 -0.014 0.000 0.809 1201 N CB 1.493 39.973 38.487 -0.013 0.000 1.450 1201 N HN -0.304 nan 8.380 nan 0.000 0.560 1202 P HA -0.038 nan 4.420 nan 0.000 0.220 1202 P C -0.052 177.237 177.300 -0.018 0.000 1.144 1202 P CA 1.118 64.205 63.100 -0.020 0.000 0.800 1202 P CB 0.344 32.030 31.700 -0.023 0.000 0.772 1203 D N -1.690 118.701 120.400 -0.015 0.000 2.369 1203 D HA 0.111 4.747 4.640 -0.006 0.000 0.211 1203 D C 0.766 177.058 176.300 -0.012 0.000 1.077 1203 D CA -0.313 53.679 54.000 -0.013 0.000 0.842 1203 D CB -0.378 40.415 40.800 -0.011 0.000 0.947 1203 D HN 0.162 nan 8.370 nan 0.000 0.509 1204 I N 1.381 121.943 120.570 -0.014 0.000 2.880 1204 I HA -0.122 4.044 4.170 -0.006 0.000 0.296 1204 I C 0.797 176.904 176.117 -0.017 0.000 1.220 1204 I CA 0.286 61.576 61.300 -0.017 0.000 1.435 1204 I CB 0.498 38.486 38.000 -0.020 0.000 1.339 1204 I HN -0.010 nan 8.210 nan 0.000 0.583 1205 S N 6.905 122.594 115.700 -0.018 0.000 2.730 1205 S HA 0.360 4.826 4.470 -0.006 0.000 0.284 1205 S C 1.271 175.856 174.600 -0.024 0.000 1.153 1205 S CA -0.892 57.299 58.200 -0.015 0.000 0.995 1205 S CB 1.499 64.693 63.200 -0.010 0.000 1.058 1205 S HN 0.599 nan 8.310 nan 0.000 0.552 1206 I N 1.142 121.702 120.570 -0.018 0.000 2.099 1206 I HA -0.207 3.959 4.170 -0.006 0.000 0.239 1206 I C 2.971 179.063 176.117 -0.042 0.000 1.066 1206 I CA 2.116 63.399 61.300 -0.028 0.000 1.324 1206 I CB -1.853 36.149 38.000 0.003 0.000 1.037 1206 I HN 0.906 nan 8.210 nan 0.000 0.401 1207 A N 0.048 122.856 122.820 -0.020 0.000 1.948 1207 A HA -0.294 4.022 4.320 -0.006 0.000 0.220 1207 A C 2.299 179.863 177.584 -0.034 0.000 1.177 1207 A CA 2.212 54.237 52.037 -0.020 0.000 0.636 1207 A CB -0.785 18.212 19.000 -0.006 0.000 0.815 1207 A HN 0.570 nan 8.150 nan 0.000 0.449 1208 E N -0.551 119.629 120.200 -0.034 0.000 2.208 1208 E HA -0.065 4.281 4.350 -0.006 0.000 0.193 1208 E C 1.830 178.398 176.600 -0.052 0.000 0.988 1208 E CA 0.562 56.941 56.400 -0.035 0.000 0.828 1208 E CB -0.120 29.564 29.700 -0.027 0.000 0.763 1208 E HN 0.654 nan 8.360 nan 0.000 0.478 1209 L N 0.062 121.241 121.223 -0.074 0.000 2.179 1209 L HA -0.021 4.315 4.340 -0.006 0.000 0.208 1209 L C 2.207 178.993 176.870 -0.140 0.000 1.096 1209 L CA 0.537 55.314 54.840 -0.106 0.000 0.779 1209 L CB -0.154 41.827 42.059 -0.129 0.000 0.922 1209 L HN 0.278 nan 8.230 nan 0.000 0.443 1210 M N -0.561 118.952 119.600 -0.144 0.000 2.748 1210 M HA -0.111 4.365 4.480 -0.006 0.000 0.241 1210 M C 1.150 177.404 176.300 -0.077 0.000 1.080 1210 M CA 1.029 56.241 55.300 -0.147 0.000 1.068 1210 M CB -0.303 32.233 32.600 -0.108 0.000 1.536 1210 M HN 0.249 nan 8.290 nan 0.000 0.540 1211 E N 0.304 120.467 120.200 -0.062 0.000 2.447 1211 E HA -0.059 4.287 4.350 -0.006 0.000 0.195 1211 E C 0.910 177.488 176.600 -0.036 0.000 1.028 1211 E CA 0.390 56.768 56.400 -0.037 0.000 0.876 1211 E CB 0.316 29.999 29.700 -0.028 0.000 0.885 1211 E HN 0.562 nan 8.360 nan 0.000 0.500 1212 D N 0.737 121.106 120.400 -0.052 0.000 2.566 1212 D HA 0.026 4.663 4.640 -0.006 0.000 0.253 1212 D C 0.867 177.137 176.300 -0.050 0.000 0.992 1212 D CA 0.305 54.278 54.000 -0.045 0.000 0.940 1212 D CB 0.615 41.385 40.800 -0.050 0.000 1.095 1212 D HN 0.054 nan 8.370 nan 0.000 0.480 1213 I N 2.776 123.291 120.570 -0.092 0.000 2.213 1213 I HA 0.091 4.257 4.170 -0.006 0.000 0.295 1213 I C 1.313 177.389 176.117 -0.068 0.000 1.172 1213 I CA 0.220 61.459 61.300 -0.103 0.000 1.443 1213 I CB 0.099 37.950 38.000 -0.249 0.000 1.491 1213 I HN -0.042 nan 8.210 nan 0.000 0.652 1214 E N 3.442 123.640 120.200 -0.003 0.000 2.118 1214 E HA -0.064 4.283 4.350 -0.006 0.000 0.195 1214 E C 1.151 177.810 176.600 0.099 0.000 0.992 1214 E CA 0.952 57.368 56.400 0.028 0.000 0.804 1214 E CB 0.334 30.048 29.700 0.024 0.000 0.741 1214 E HN 0.873 nan 8.360 nan 0.000 0.458 1215 G N -0.343 108.546 108.800 0.148 0.000 2.336 1215 G HA2 0.103 4.060 3.960 -0.006 0.000 0.286 1215 G HA3 0.103 4.060 3.960 -0.006 0.000 0.286 1215 G C -3.029 171.934 174.900 0.106 0.000 1.269 1215 G CA -1.115 44.132 45.100 0.245 0.000 0.873 1215 G HN -0.177 nan 8.290 nan 0.000 0.494 1216 P HA 0.361 nan 4.420 nan 0.000 0.271 1216 P C -1.246 175.671 177.300 -0.637 0.000 1.216 1216 P CA 0.132 62.813 63.100 -0.699 0.000 0.771 1216 P CB 1.153 32.346 31.700 -0.846 0.000 0.864 1217 D N 2.614 122.567 120.400 -0.745 0.000 2.440 1217 D HA 0.343 4.980 4.640 -0.006 0.000 0.239 1217 D C -0.999 174.888 176.300 -0.688 0.000 1.084 1217 D CA -0.432 53.268 54.000 -0.501 0.000 0.843 1217 D CB 0.109 40.759 40.800 -0.249 0.000 1.097 1217 D HN 0.025 nan 8.370 nan 0.000 0.531 1218 F N 3.487 123.229 119.950 -0.347 0.000 2.380 1218 F HA 0.377 4.900 4.527 -0.006 0.000 0.321 1218 F C -0.851 174.782 175.800 -0.278 0.000 1.103 1218 F CA -1.778 55.956 58.000 -0.444 0.000 1.067 1218 F CB 0.906 39.646 39.000 -0.433 0.000 1.265 1218 F HN 0.256 nan 8.300 nan 0.000 0.517 1219 P HA -0.050 nan 4.420 nan 0.000 0.224 1219 P C 0.969 178.348 177.300 0.132 0.000 1.157 1219 P CA 1.316 64.444 63.100 0.047 0.000 0.799 1219 P CB -0.267 31.504 31.700 0.117 0.000 0.809 1220 T N -3.582 111.093 114.554 0.201 0.000 3.148 1220 T HA 0.458 4.805 4.350 -0.006 0.000 0.253 1220 T C 1.191 175.941 174.700 0.083 0.000 1.134 1220 T CA 0.431 62.620 62.100 0.148 0.000 1.051 1220 T CB -0.577 68.382 68.868 0.151 0.000 0.959 1220 T HN 0.252 nan 8.240 nan 0.000 0.525 1221 A N 1.336 124.209 122.820 0.089 0.000 5.295 1221 A HA 0.190 4.507 4.320 -0.006 0.000 0.313 1221 A C 1.419 179.032 177.584 0.049 0.000 1.912 1221 A CA 1.170 53.248 52.037 0.067 0.000 0.714 1221 A CB -1.879 17.145 19.000 0.040 0.000 1.319 1221 A HN 2.302 nan 8.150 nan 0.000 0.375 1222 G N -3.525 105.290 108.800 0.025 0.000 2.681 1222 G HA2 0.313 4.269 3.960 -0.006 0.000 0.220 1222 G HA3 0.313 4.269 3.960 -0.006 0.000 0.220 1222 G C -0.592 174.312 174.900 0.007 0.000 1.353 1222 G CA 0.293 45.395 45.100 0.002 0.000 0.872 1222 G HN 1.998 nan 8.290 nan 0.000 0.557 1223 L N 0.344 121.558 121.223 -0.016 0.000 2.303 1223 L HA 0.892 5.228 4.340 -0.006 0.000 0.266 1223 L C 0.804 177.664 176.870 -0.017 0.000 1.011 1223 L CA -0.948 53.884 54.840 -0.013 0.000 0.818 1223 L CB 1.703 43.743 42.059 -0.031 0.000 1.326 1223 L HN 0.900 nan 8.230 nan 0.000 0.435 1224 I N -0.473 120.096 120.570 -0.002 0.000 2.865 1224 I HA 0.500 4.666 4.170 -0.006 0.000 0.302 1224 I C -1.182 174.929 176.117 -0.011 0.000 1.140 1224 I CA -0.905 60.396 61.300 0.001 0.000 1.021 1224 I CB 2.133 40.160 38.000 0.045 0.000 1.233 1224 I HN 0.283 nan 8.210 nan 0.000 0.427 1225 L N 4.479 125.691 121.223 -0.018 0.000 2.272 1225 L HA 0.723 5.059 4.340 -0.006 0.000 0.284 1225 L C 0.721 177.590 176.870 -0.002 0.000 1.045 1225 L CA -0.294 54.533 54.840 -0.022 0.000 0.842 1225 L CB 0.219 42.252 42.059 -0.043 0.000 1.224 1225 L HN 1.112 nan 8.230 nan 0.000 0.430 1226 G N 2.954 111.757 108.800 0.006 0.000 2.698 1226 G HA2 -0.217 3.739 3.960 -0.006 0.000 0.225 1226 G HA3 -0.217 3.739 3.960 -0.006 0.000 0.225 1226 G C 0.047 174.965 174.900 0.029 0.000 1.345 1226 G CA -0.281 44.828 45.100 0.016 0.000 0.871 1226 G HN 0.668 nan 8.290 nan 0.000 0.540 1227 K N -0.545 119.877 120.400 0.036 0.000 2.517 1227 K HA 0.219 4.536 4.320 -0.006 0.000 0.210 1227 K C 2.171 178.803 176.600 0.053 0.000 1.166 1227 K CA 0.675 56.994 56.287 0.054 0.000 1.030 1227 K CB 0.645 33.182 32.500 0.062 0.000 0.974 1227 K HN 0.489 nan 8.250 nan 0.000 0.585 1228 S N 0.190 115.913 115.700 0.038 0.000 2.474 1228 S HA -0.065 4.401 4.470 -0.006 0.000 0.235 1228 S C 1.772 176.391 174.600 0.033 0.000 0.997 1228 S CA 0.978 59.199 58.200 0.034 0.000 0.949 1228 S CB -0.023 63.193 63.200 0.025 0.000 0.766 1228 S HN 0.405 nan 8.310 nan 0.000 0.517 1229 G N 1.478 110.296 108.800 0.031 0.000 2.559 1229 G HA2 0.231 4.188 3.960 -0.006 0.000 0.209 1229 G HA3 0.231 4.188 3.960 -0.006 0.000 0.209 1229 G C 1.258 176.166 174.900 0.014 0.000 1.151 1229 G CA -0.026 45.089 45.100 0.024 0.000 0.824 1229 G HN 0.456 nan 8.290 nan 0.000 0.543 1230 I N 0.441 121.024 120.570 0.022 0.000 2.194 1230 I HA -0.215 3.952 4.170 -0.006 0.000 0.246 1230 I C 2.847 178.984 176.117 0.034 0.000 1.093 1230 I CA 1.284 62.584 61.300 0.001 0.000 1.355 1230 I CB -0.138 37.921 38.000 0.099 0.000 1.046 1230 I HN 0.131 nan 8.210 nan 0.000 0.413 1231 R N 0.789 121.348 120.500 0.099 0.000 2.090 1231 R HA -0.158 4.179 4.340 -0.006 0.000 0.228 1231 R C 2.519 178.879 176.300 0.101 0.000 1.110 1231 R CA 1.095 57.280 56.100 0.140 0.000 0.973 1231 R CB -0.142 30.217 30.300 0.098 0.000 0.869 1231 R HN 0.245 nan 8.270 nan 0.000 0.440 1232 R N 0.218 120.750 120.500 0.053 0.000 2.081 1232 R HA -0.097 4.239 4.340 -0.006 0.000 0.235 1232 R C 2.026 178.342 176.300 0.026 0.000 1.131 1232 R CA 1.422 57.546 56.100 0.039 0.000 0.960 1232 R CB -0.287 30.028 30.300 0.024 0.000 0.856 1232 R HN 0.247 nan 8.270 nan 0.000 0.436 1233 A N 0.489 123.295 122.820 -0.023 0.000 1.873 1233 A HA -0.217 4.099 4.320 -0.006 0.000 0.218 1233 A C 1.935 179.485 177.584 -0.057 0.000 1.193 1233 A CA 1.515 53.496 52.037 -0.092 0.000 0.629 1233 A CB -0.971 17.888 19.000 -0.234 0.000 0.826 1233 A HN 0.490 nan 8.150 nan 0.000 0.447 1234 Y N -0.039 120.287 120.300 0.043 0.000 2.314 1234 Y HA -0.057 4.489 4.550 -0.006 0.000 0.293 1234 Y C 2.466 178.376 175.900 0.017 0.000 1.129 1234 Y CA 1.289 59.404 58.100 0.026 0.000 1.201 1234 Y CB -0.214 38.257 38.460 0.019 0.000 0.999 1234 Y HN 0.443 nan 8.280 nan 0.000 0.541 1235 E N -1.160 119.146 120.200 0.176 0.000 2.230 1235 E HA -0.068 4.279 4.350 -0.006 0.000 0.192 1235 E C 1.716 178.359 176.600 0.072 0.000 0.987 1235 E CA 1.477 57.939 56.400 0.104 0.000 0.841 1235 E CB 0.142 29.889 29.700 0.079 0.000 0.783 1235 E HN 0.570 nan 8.360 nan 0.000 0.481 1236 T N -4.143 110.448 114.554 0.063 0.000 3.151 1236 T HA 0.327 4.673 4.350 -0.006 0.000 0.239 1236 T C 1.536 176.260 174.700 0.041 0.000 0.979 1236 T CA 0.587 62.714 62.100 0.044 0.000 1.194 1236 T CB 0.883 69.770 68.868 0.032 0.000 0.982 1236 T HN 0.176 nan 8.240 nan 0.000 0.428 1237 G N 0.617 109.437 108.800 0.034 0.000 2.902 1237 G HA2 0.049 4.005 3.960 -0.006 0.000 0.215 1237 G HA3 0.049 4.005 3.960 -0.006 0.000 0.215 1237 G C -0.008 174.900 174.900 0.013 0.000 0.976 1237 G CA -0.402 44.714 45.100 0.026 0.000 0.794 1237 G HN 0.642 nan 8.290 nan 0.000 0.557 1238 R N 0.062 120.568 120.500 0.010 0.000 2.854 1238 R HA 0.775 5.112 4.340 -0.006 0.000 0.271 1238 R C 0.131 176.432 176.300 0.002 0.000 0.996 1238 R CA 0.666 56.769 56.100 0.005 0.000 0.961 1238 R CB 1.965 32.270 30.300 0.007 0.000 1.182 1238 R HN 1.207 nan 8.270 nan 0.000 0.479 1239 G N -0.246 108.555 108.800 0.003 0.000 2.352 1239 G HA2 0.243 4.199 3.960 -0.006 0.000 0.305 1239 G HA3 0.243 4.199 3.960 -0.006 0.000 0.305 1239 G C -1.756 173.154 174.900 0.017 0.000 1.537 1239 G CA -0.590 44.513 45.100 0.006 0.000 0.959 1239 G HN 0.468 nan 8.290 nan 0.000 0.668 1240 S N -0.060 115.654 115.700 0.022 0.000 2.552 1240 S HA 0.752 5.218 4.470 -0.006 0.000 0.314 1240 S C 0.063 174.691 174.600 0.048 0.000 1.099 1240 S CA -0.700 57.521 58.200 0.036 0.000 1.070 1240 S CB 0.363 63.575 63.200 0.021 0.000 0.998 1240 S HN 0.568 nan 8.310 nan 0.000 0.474 1241 I N 4.026 124.647 120.570 0.084 0.000 2.437 1241 I HA 0.405 4.571 4.170 -0.006 0.000 0.298 1241 I C -0.044 176.117 176.117 0.073 0.000 0.984 1241 I CA -0.847 60.503 61.300 0.084 0.000 1.214 1241 I CB 1.541 39.617 38.000 0.128 0.000 1.365 1241 I HN 0.423 nan 8.210 nan 0.000 0.469 1242 Q N 6.126 125.948 119.800 0.037 0.000 2.282 1242 Q HA 0.567 4.903 4.340 -0.006 0.000 0.260 1242 Q C -0.936 175.056 176.000 -0.013 0.000 0.964 1242 Q CA -0.433 55.375 55.803 0.009 0.000 0.880 1242 Q CB 2.676 31.404 28.738 -0.016 0.000 1.286 1242 Q HN 0.569 nan 8.270 nan 0.000 0.445 1243 M N 2.254 121.835 119.600 -0.032 0.000 2.243 1243 M HA 0.412 4.888 4.480 -0.006 0.000 0.324 1243 M C -0.148 176.098 176.300 -0.089 0.000 1.031 1243 M CA -0.601 54.655 55.300 -0.073 0.000 0.949 1243 M CB 1.663 34.197 32.600 -0.110 0.000 1.615 1243 M HN 0.084 nan 8.290 nan 0.000 0.430 1244 R N 1.754 122.190 120.500 -0.106 0.000 2.295 1244 R HA 0.430 4.766 4.340 -0.006 0.000 0.324 1244 R C -0.789 175.484 176.300 -0.045 0.000 0.968 1244 R CA -0.294 55.726 56.100 -0.134 0.000 0.837 1244 R CB 1.742 31.920 30.300 -0.203 0.000 1.133 1244 R HN 0.693 nan 8.270 nan 0.000 0.450 1245 S N 2.510 118.234 115.700 0.040 0.000 2.552 1245 S HA 0.015 4.481 4.470 -0.006 0.000 0.289 1245 S C 0.732 175.380 174.600 0.079 0.000 1.304 1245 S CA -0.003 58.239 58.200 0.071 0.000 1.063 1245 S CB 0.561 63.833 63.200 0.120 0.000 0.848 1245 S HN 0.368 nan 8.310 nan 0.000 0.499 1246 R N 2.291 122.819 120.500 0.046 0.000 2.605 1246 R HA 0.312 4.648 4.340 -0.006 0.000 0.271 1246 R C 0.199 176.535 176.300 0.060 0.000 1.418 1246 R CA -0.265 55.863 56.100 0.045 0.000 1.102 1246 R CB -0.578 29.738 30.300 0.027 0.000 1.131 1246 R HN 0.708 nan 8.270 nan 0.000 0.554 1247 A N 3.220 126.097 122.820 0.095 0.000 2.271 1247 A HA 0.610 4.927 4.320 -0.006 0.000 0.288 1247 A C -0.495 177.123 177.584 0.056 0.000 1.094 1247 A CA -0.517 51.566 52.037 0.078 0.000 0.828 1247 A CB 1.122 20.188 19.000 0.109 0.000 1.091 1247 A HN 0.533 nan 8.150 nan 0.000 0.493 1248 V N -1.446 118.489 119.914 0.035 0.000 3.120 1248 V HA 0.636 4.752 4.120 -0.006 0.000 0.303 1248 V C -0.873 175.230 176.094 0.016 0.000 1.238 1248 V CA -0.636 61.680 62.300 0.026 0.000 1.008 1248 V CB 1.416 33.251 31.823 0.020 0.000 1.064 1248 V HN 0.756 nan 8.190 nan 0.000 0.434 1249 I N 1.853 122.432 120.570 0.014 0.000 2.406 1249 I HA 0.823 4.989 4.170 -0.006 0.000 0.290 1249 I C -0.198 175.922 176.117 0.005 0.000 0.999 1249 I CA -0.349 60.955 61.300 0.007 0.000 1.124 1249 I CB 1.706 39.711 38.000 0.008 0.000 1.289 1249 I HN 1.014 nan 8.210 nan 0.000 0.441 1250 E N 4.573 124.774 120.200 0.001 0.000 2.416 1250 E HA 0.542 4.888 4.350 -0.006 0.000 0.273 1250 E C -1.436 175.163 176.600 -0.001 0.000 0.935 1250 E CA -1.073 55.328 56.400 0.001 0.000 0.784 1250 E CB 2.191 31.892 29.700 0.002 0.000 1.301 1250 E HN 0.689 nan 8.360 nan 0.000 0.454 1251 E N 0.725 120.925 120.200 -0.000 0.000 2.214 1251 E HA 0.347 4.693 4.350 -0.006 0.000 0.274 1251 E C 0.222 176.821 176.600 -0.002 0.000 0.977 1251 E CA -0.904 55.495 56.400 -0.001 0.000 0.827 1251 E CB 1.527 31.227 29.700 -0.001 0.000 1.130 1251 E HN 0.696 nan 8.360 nan 0.000 0.394 1252 R N 2.285 122.784 120.500 -0.003 0.000 2.446 1252 R HA 0.354 4.690 4.340 -0.006 0.000 0.254 1252 R C 0.288 176.586 176.300 -0.002 0.000 0.918 1252 R CA 0.018 56.117 56.100 -0.003 0.000 1.069 1252 R CB 0.394 30.692 30.300 -0.004 0.000 1.194 1252 R HN 0.709 nan 8.270 nan 0.000 0.534 1253 G N 0.121 108.919 108.800 -0.002 0.000 2.764 1253 G HA2 -0.019 3.938 3.960 -0.006 0.000 0.686 1253 G HA3 -0.019 3.938 3.960 -0.006 0.000 0.686 1253 G C -0.256 174.642 174.900 -0.003 0.000 1.258 1253 G CA -0.526 44.573 45.100 -0.002 0.000 0.846 1253 G HN 0.497 nan 8.290 nan 0.000 0.596 1254 G N -0.000 108.799 108.800 -0.002 0.000 2.415 1254 G HA2 0.760 4.716 3.960 -0.006 0.000 0.317 1254 G HA3 0.760 4.716 3.960 -0.006 0.000 0.317 1254 G C 1.167 176.066 174.900 -0.002 0.000 1.152 1254 G CA 1.318 46.417 45.100 -0.002 0.000 0.956 1254 G HN 2.491 nan 8.290 nan 0.000 0.458 1255 G N 2.817 111.616 108.800 -0.002 0.000 2.527 1255 G HA2 -0.274 3.683 3.960 -0.006 0.000 0.218 1255 G HA3 -0.274 3.683 3.960 -0.006 0.000 0.218 1255 G C 0.913 175.812 174.900 -0.003 0.000 1.177 1255 G CA 0.248 45.346 45.100 -0.002 0.000 0.695 1255 G HN 1.077 nan 8.290 nan 0.000 0.517 1256 R N 1.125 121.623 120.500 -0.004 0.000 2.774 1256 R HA 0.690 5.026 4.340 -0.006 0.000 0.269 1256 R C 0.155 176.452 176.300 -0.005 0.000 1.068 1256 R CA 0.160 56.258 56.100 -0.005 0.000 1.180 1256 R CB 0.401 30.698 30.300 -0.006 0.000 1.077 1256 R HN 0.536 nan 8.270 nan 0.000 0.513 1257 Q N -0.323 119.473 119.800 -0.006 0.000 2.991 1257 Q HA 0.553 4.889 4.340 -0.006 0.000 0.322 1257 Q C -1.173 174.822 176.000 -0.009 0.000 0.978 1257 Q CA -1.261 54.538 55.803 -0.007 0.000 0.787 1257 Q CB 2.651 31.386 28.738 -0.006 0.000 1.492 1257 Q HN 0.758 nan 8.270 nan 0.000 0.498 1258 R N -0.678 119.817 120.500 -0.010 0.000 2.739 1258 R HA 0.509 4.845 4.340 -0.006 0.000 0.266 1258 R C -1.866 174.426 176.300 -0.013 0.000 1.044 1258 R CA -0.666 55.426 56.100 -0.013 0.000 0.885 1258 R CB 0.549 30.842 30.300 -0.012 0.000 1.260 1258 R HN 0.523 nan 8.270 nan 0.000 0.477 1259 I N 2.374 122.932 120.570 -0.019 0.000 2.378 1259 I HA 0.387 4.554 4.170 -0.006 0.000 0.291 1259 I C -0.518 175.589 176.117 -0.016 0.000 0.992 1259 I CA -1.329 59.960 61.300 -0.019 0.000 1.154 1259 I CB 2.123 40.102 38.000 -0.035 0.000 1.315 1259 I HN 0.311 nan 8.210 nan 0.000 0.448 1260 V N 7.287 127.197 119.914 -0.007 0.000 2.459 1260 V HA 0.347 4.463 4.120 -0.006 0.000 0.295 1260 V C -0.130 175.965 176.094 0.002 0.000 1.029 1260 V CA -0.622 61.676 62.300 -0.004 0.000 0.874 1260 V CB 2.146 33.969 31.823 0.001 0.000 0.985 1260 V HN 0.387 nan 8.190 nan 0.000 0.438 1261 V N 4.537 124.451 119.914 -0.000 0.000 2.313 1261 V HA 0.259 4.375 4.120 -0.006 0.000 0.278 1261 V C 1.084 177.182 176.094 0.007 0.000 1.017 1261 V CA 0.081 62.385 62.300 0.007 0.000 0.823 1261 V CB 1.080 32.903 31.823 0.001 0.000 1.010 1261 V HN 1.048 nan 8.190 nan 0.000 0.443 1262 T N 1.002 115.564 114.554 0.013 0.000 3.044 1262 T HA 0.246 4.592 4.350 -0.006 0.000 0.255 1262 T C 0.421 175.129 174.700 0.014 0.000 1.073 1262 T CA 0.242 62.350 62.100 0.013 0.000 1.125 1262 T CB 0.332 69.209 68.868 0.015 0.000 0.908 1262 T HN 0.612 nan 8.240 nan 0.000 0.480 1263 E N 0.675 120.884 120.200 0.016 0.000 2.331 1263 E HA 0.657 5.003 4.350 -0.006 0.000 0.275 1263 E C -0.967 175.638 176.600 0.008 0.000 0.895 1263 E CA -0.969 55.440 56.400 0.014 0.000 0.753 1263 E CB 2.682 32.393 29.700 0.018 0.000 1.216 1263 E HN 0.498 nan 8.360 nan 0.000 0.434 1264 I N -2.077 118.491 120.570 -0.003 0.000 2.957 1264 I HA 0.646 4.813 4.170 -0.006 0.000 0.310 1264 I C -2.583 173.514 176.117 -0.033 0.000 1.063 1264 I CA -3.192 58.099 61.300 -0.015 0.000 1.033 1264 I CB 1.778 39.759 38.000 -0.032 0.000 1.230 1264 I HN 0.192 nan 8.210 nan 0.000 0.447 1265 P HA 0.120 nan 4.420 nan 0.000 0.274 1265 P C -0.440 176.809 177.300 -0.086 0.000 1.291 1265 P CA 0.013 63.061 63.100 -0.088 0.000 0.815 1265 P CB -0.155 31.509 31.700 -0.061 0.000 0.897 1266 F N 4.213 123.976 119.950 -0.311 0.000 2.216 1266 F HA -0.254 4.269 4.527 -0.006 0.000 0.442 1266 F C 1.190 176.929 175.800 -0.102 0.000 0.870 1266 F CA 1.262 59.112 58.000 -0.250 0.000 1.084 1266 F CB -0.299 38.367 39.000 -0.555 0.000 0.839 1266 F HN 0.571 nan 8.300 nan 0.000 0.524 1267 Q N 1.536 120.964 119.800 -0.620 0.000 2.501 1267 Q HA -0.125 4.211 4.340 -0.006 0.000 0.275 1267 Q C -1.087 174.768 176.000 -0.243 0.000 1.074 1267 Q CA 0.691 56.174 55.803 -0.533 0.000 0.974 1267 Q CB -1.587 26.756 28.738 -0.658 0.000 1.307 1267 Q HN 0.648 nan 8.270 nan 0.000 0.513 1268 V N -2.371 117.432 119.914 -0.184 0.000 2.864 1268 V HA 0.595 4.711 4.120 -0.006 0.000 0.314 1268 V C 0.215 176.232 176.094 -0.129 0.000 1.073 1268 V CA -1.150 61.076 62.300 -0.124 0.000 0.956 1268 V CB 2.002 33.774 31.823 -0.085 0.000 1.023 1268 V HN 0.219 nan 8.190 nan 0.000 0.435 1269 N N 2.505 121.144 118.700 -0.101 0.000 2.402 1269 N HA 0.053 4.789 4.740 -0.006 0.000 0.259 1269 N C 1.010 176.466 175.510 -0.090 0.000 1.167 1269 N CA 0.147 53.138 53.050 -0.099 0.000 0.949 1269 N CB 1.213 39.658 38.487 -0.069 0.000 1.212 1269 N HN 1.006 nan 8.380 nan 0.000 0.493 1270 K N 3.374 123.707 120.400 -0.110 0.000 2.360 1270 K HA -0.085 4.232 4.320 -0.006 0.000 0.201 1270 K C 1.246 177.807 176.600 -0.065 0.000 1.046 1270 K CA 1.512 57.747 56.287 -0.088 0.000 0.945 1270 K CB 0.155 32.595 32.500 -0.100 0.000 0.750 1270 K HN 0.379 nan 8.250 nan 0.000 0.464 1271 A N 0.977 123.760 122.820 -0.063 0.000 1.911 1271 A HA 0.072 4.389 4.320 -0.006 0.000 0.212 1271 A C 2.151 179.712 177.584 -0.038 0.000 1.189 1271 A CA 0.777 52.787 52.037 -0.046 0.000 0.639 1271 A CB -0.331 18.645 19.000 -0.041 0.000 0.839 1271 A HN 0.319 nan 8.150 nan 0.000 0.449 1272 R N -0.097 120.379 120.500 -0.040 0.000 2.090 1272 R HA 0.007 4.344 4.340 -0.006 0.000 0.228 1272 R C 2.094 178.374 176.300 -0.033 0.000 1.110 1272 R CA 1.753 57.833 56.100 -0.033 0.000 0.973 1272 R CB -0.650 29.630 30.300 -0.033 0.000 0.869 1272 R HN 0.585 nan 8.270 nan 0.000 0.440 1273 M N -0.092 119.484 119.600 -0.039 0.000 2.082 1273 M HA -0.217 4.259 4.480 -0.006 0.000 0.258 1273 M C 1.726 178.007 176.300 -0.033 0.000 1.071 1273 M CA 2.111 57.389 55.300 -0.036 0.000 1.103 1273 M CB -0.235 32.340 32.600 -0.041 0.000 1.307 1273 M HN 0.235 nan 8.290 nan 0.000 0.409 1274 I N 0.287 120.837 120.570 -0.035 0.000 2.163 1274 I HA -0.294 3.872 4.170 -0.006 0.000 0.243 1274 I C 2.475 178.575 176.117 -0.028 0.000 1.085 1274 I CA 1.814 63.094 61.300 -0.032 0.000 1.347 1274 I CB -0.897 37.084 38.000 -0.031 0.000 1.044 1274 I HN 0.452 nan 8.210 nan 0.000 0.408 1275 E N 2.144 122.328 120.200 -0.027 0.000 2.065 1275 E HA -0.331 4.016 4.350 -0.006 0.000 0.201 1275 E C 1.949 178.536 176.600 -0.022 0.000 1.016 1275 E CA 2.229 58.615 56.400 -0.023 0.000 0.818 1275 E CB -0.297 29.390 29.700 -0.021 0.000 0.749 1275 E HN 0.262 nan 8.360 nan 0.000 0.453 1276 K N 0.014 120.400 120.400 -0.023 0.000 2.001 1276 K HA -0.168 4.149 4.320 -0.006 0.000 0.214 1276 K C 2.069 178.656 176.600 -0.023 0.000 1.050 1276 K CA 1.908 58.182 56.287 -0.021 0.000 0.934 1276 K CB -0.858 31.630 32.500 -0.020 0.000 0.718 1276 K HN 0.261 nan 8.250 nan 0.000 0.443 1277 I N 1.091 121.645 120.570 -0.027 0.000 2.091 1277 I HA -0.353 3.813 4.170 -0.006 0.000 0.240 1277 I C 2.296 178.396 176.117 -0.028 0.000 1.046 1277 I CA 2.047 63.328 61.300 -0.032 0.000 1.306 1277 I CB -0.849 37.127 38.000 -0.038 0.000 1.018 1277 I HN 0.371 nan 8.210 nan 0.000 0.404 1278 A N -0.642 122.162 122.820 -0.025 0.000 1.948 1278 A HA -0.275 4.042 4.320 -0.006 0.000 0.220 1278 A C 2.291 179.863 177.584 -0.019 0.000 1.177 1278 A CA 1.990 54.014 52.037 -0.022 0.000 0.636 1278 A CB -0.714 18.274 19.000 -0.020 0.000 0.815 1278 A HN 0.537 nan 8.150 nan 0.000 0.449 1279 E N -0.239 119.950 120.200 -0.018 0.000 2.058 1279 E HA -0.182 4.165 4.350 -0.006 0.000 0.194 1279 E C 1.867 178.458 176.600 -0.015 0.000 0.997 1279 E CA 1.448 57.838 56.400 -0.015 0.000 0.801 1279 E CB -0.329 29.363 29.700 -0.014 0.000 0.746 1279 E HN 0.735 nan 8.360 nan 0.000 0.450 1280 L N 0.343 121.555 121.223 -0.017 0.000 2.353 1280 L HA -0.118 4.218 4.340 -0.006 0.000 0.220 1280 L C 2.156 179.016 176.870 -0.017 0.000 1.133 1280 L CA 0.394 55.224 54.840 -0.017 0.000 0.798 1280 L CB -0.339 41.708 42.059 -0.020 0.000 0.922 1280 L HN -0.001 nan 8.230 nan 0.000 0.445 1281 V N -0.985 118.918 119.914 -0.018 0.000 2.949 1281 V HA -0.004 4.112 4.120 -0.006 0.000 0.245 1281 V C 2.346 178.431 176.094 -0.015 0.000 1.086 1281 V CA 0.711 63.000 62.300 -0.018 0.000 1.097 1281 V CB -0.407 31.404 31.823 -0.020 0.000 0.762 1281 V HN 0.344 nan 8.190 nan 0.000 0.470 1282 R N 0.765 121.257 120.500 -0.014 0.000 2.193 1282 R HA -0.005 4.331 4.340 -0.006 0.000 0.213 1282 R C 0.826 177.120 176.300 -0.010 0.000 1.055 1282 R CA 1.107 57.200 56.100 -0.012 0.000 0.995 1282 R CB -0.079 30.214 30.300 -0.011 0.000 0.893 1282 R HN 0.468 nan 8.270 nan 0.000 0.459 1283 D N 0.272 120.666 120.400 -0.010 0.000 2.431 1283 D HA 0.081 4.717 4.640 -0.006 0.000 0.213 1283 D C -0.357 175.938 176.300 -0.009 0.000 1.130 1283 D CA -0.025 53.970 54.000 -0.009 0.000 0.834 1283 D CB 0.544 41.339 40.800 -0.009 0.000 0.985 1283 D HN -0.078 nan 8.370 nan 0.000 0.504 1284 K N 0.464 120.858 120.400 -0.010 0.000 3.393 1284 K HA -0.204 4.113 4.320 -0.006 0.000 0.272 1284 K C 0.469 177.063 176.600 -0.009 0.000 1.004 1284 K CA 0.432 56.713 56.287 -0.010 0.000 0.764 1284 K CB -0.974 31.520 32.500 -0.008 0.000 1.373 1284 K HN 0.092 nan 8.250 nan 0.000 0.458 1285 K N 0.237 120.631 120.400 -0.011 0.000 2.387 1285 K HA 0.325 4.641 4.320 -0.006 0.000 0.203 1285 K C 0.068 176.660 176.600 -0.012 0.000 1.030 1285 K CA 0.002 56.283 56.287 -0.010 0.000 1.099 1285 K CB 0.623 33.117 32.500 -0.009 0.000 0.863 1285 K HN 0.377 nan 8.250 nan 0.000 0.529 1286 I N 0.101 120.662 120.570 -0.015 0.000 2.743 1286 I HA 0.215 4.381 4.170 -0.006 0.000 0.292 1286 I C -2.087 174.019 176.117 -0.019 0.000 1.343 1286 I CA -0.716 60.573 61.300 -0.018 0.000 1.038 1286 I CB 2.078 40.063 38.000 -0.025 0.000 1.311 1286 I HN -0.152 nan 8.210 nan 0.000 0.426 1287 D N 3.803 124.193 120.400 -0.018 0.000 2.268 1287 D HA 0.808 5.445 4.640 -0.006 0.000 0.249 1287 D C 0.605 176.893 176.300 -0.020 0.000 1.008 1287 D CA 0.980 54.970 54.000 -0.017 0.000 0.939 1287 D CB 2.109 42.901 40.800 -0.013 0.000 1.170 1287 D HN 0.877 nan 8.370 nan 0.000 0.468 1288 G N 1.286 110.075 108.800 -0.019 0.000 2.617 1288 G HA2 -0.142 3.814 3.960 -0.006 0.000 0.197 1288 G HA3 -0.142 3.814 3.960 -0.006 0.000 0.197 1288 G C 0.484 175.371 174.900 -0.021 0.000 1.017 1288 G CA 0.106 45.194 45.100 -0.020 0.000 0.713 1288 G HN 0.575 nan 8.290 nan 0.000 0.481 1289 I N 1.229 121.785 120.570 -0.023 0.000 2.764 1289 I HA 0.667 4.833 4.170 -0.006 0.000 0.294 1289 I C 1.280 177.386 176.117 -0.019 0.000 1.045 1289 I CA 0.395 61.681 61.300 -0.024 0.000 1.340 1289 I CB 1.297 39.280 38.000 -0.029 0.000 1.436 1289 I HN 0.289 nan 8.210 nan 0.000 0.567 1290 T N -2.129 112.414 114.554 -0.019 0.000 3.051 1290 T HA 0.217 4.564 4.350 -0.006 0.000 0.254 1290 T C -0.038 174.653 174.700 -0.015 0.000 0.916 1290 T CA -0.056 62.035 62.100 -0.015 0.000 0.894 1290 T CB 0.353 69.213 68.868 -0.013 0.000 1.251 1290 T HN 0.680 nan 8.240 nan 0.000 0.517 1291 D N 0.002 120.392 120.400 -0.017 0.000 2.717 1291 D HA 0.573 5.209 4.640 -0.006 0.000 0.223 1291 D C -2.192 174.097 176.300 -0.019 0.000 1.240 1291 D CA -0.556 53.434 54.000 -0.016 0.000 0.801 1291 D CB 2.392 43.184 40.800 -0.014 0.000 1.556 1291 D HN 0.245 nan 8.370 nan 0.000 0.462 1292 L N 3.025 124.237 121.223 -0.019 0.000 2.406 1292 L HA 0.608 4.944 4.340 -0.006 0.000 0.270 1292 L C -1.432 175.427 176.870 -0.019 0.000 0.982 1292 L CA -0.257 54.571 54.840 -0.021 0.000 0.843 1292 L CB 1.136 43.181 42.059 -0.023 0.000 1.225 1292 L HN 0.408 nan 8.230 nan 0.000 0.412 1293 R N 2.936 123.425 120.500 -0.018 0.000 2.476 1293 R HA 0.432 4.768 4.340 -0.006 0.000 0.305 1293 R C -1.254 175.037 176.300 -0.016 0.000 0.965 1293 R CA -0.874 55.217 56.100 -0.016 0.000 0.867 1293 R CB 1.754 32.047 30.300 -0.013 0.000 1.176 1293 R HN 0.643 nan 8.270 nan 0.000 0.447 1294 D N 2.246 122.636 120.400 -0.017 0.000 2.317 1294 D HA 0.029 4.665 4.640 -0.006 0.000 0.252 1294 D C -0.122 176.171 176.300 -0.013 0.000 1.174 1294 D CA -0.028 53.962 54.000 -0.017 0.000 0.866 1294 D CB 0.894 41.683 40.800 -0.019 0.000 1.127 1294 D HN 0.573 nan 8.370 nan 0.000 0.467 1295 E N 2.231 122.425 120.200 -0.011 0.000 2.812 1295 E HA 0.100 4.446 4.350 -0.006 0.000 0.211 1295 E C -0.363 176.234 176.600 -0.005 0.000 0.986 1295 E CA -0.307 56.088 56.400 -0.008 0.000 1.119 1295 E CB 0.780 30.477 29.700 -0.006 0.000 1.046 1295 E HN 0.442 nan 8.360 nan 0.000 0.474 1296 T N 1.656 116.206 114.554 -0.007 0.000 2.928 1296 T HA 0.202 4.549 4.350 -0.006 0.000 0.305 1296 T C 0.246 174.947 174.700 0.002 0.000 1.035 1296 T CA 0.035 62.133 62.100 -0.003 0.000 1.145 1296 T CB 0.933 69.795 68.868 -0.009 0.000 0.963 1296 T HN 0.163 nan 8.240 nan 0.000 0.545 1297 S N 2.114 117.819 115.700 0.007 0.000 2.579 1297 S HA 0.437 4.903 4.470 -0.006 0.000 0.272 1297 S C 0.602 175.213 174.600 0.018 0.000 1.141 1297 S CA -1.002 57.204 58.200 0.011 0.000 0.843 1297 S CB 1.266 64.471 63.200 0.007 0.000 1.122 1297 S HN 0.448 nan 8.310 nan 0.000 0.468 1298 L N 1.775 123.011 121.223 0.021 0.000 2.042 1298 L HA 0.062 4.398 4.340 -0.006 0.000 0.210 1298 L C 2.438 179.323 176.870 0.024 0.000 1.076 1298 L CA 1.858 56.715 54.840 0.028 0.000 0.749 1298 L CB -0.945 41.130 42.059 0.028 0.000 0.893 1298 L HN 0.847 nan 8.230 nan 0.000 0.432 1299 R N -0.802 119.708 120.500 0.018 0.000 2.115 1299 R HA 0.028 4.364 4.340 -0.006 0.000 0.226 1299 R C 0.939 177.248 176.300 0.015 0.000 1.100 1299 R CA 1.379 57.488 56.100 0.015 0.000 0.980 1299 R CB -0.589 29.717 30.300 0.011 0.000 0.875 1299 R HN 0.600 nan 8.270 nan 0.000 0.445 1300 T N -1.564 112.999 114.554 0.014 0.000 3.268 1300 T HA 0.450 4.796 4.350 -0.006 0.000 0.258 1300 T C 0.706 175.415 174.700 0.015 0.000 0.966 1300 T CA -0.190 61.918 62.100 0.013 0.000 0.952 1300 T CB 0.578 69.452 68.868 0.009 0.000 1.132 1300 T HN 0.421 nan 8.240 nan 0.000 0.536 1301 G N 1.541 110.353 108.800 0.020 0.000 2.740 1301 G HA2 -0.172 3.784 3.960 -0.006 0.000 0.250 1301 G HA3 -0.172 3.784 3.960 -0.006 0.000 0.250 1301 G C -0.251 174.660 174.900 0.019 0.000 1.358 1301 G CA -0.513 44.600 45.100 0.023 0.000 0.897 1301 G HN 0.885 nan 8.290 nan 0.000 0.567 1302 V N 0.249 120.175 119.914 0.019 0.000 2.924 1302 V HA 0.697 4.813 4.120 -0.006 0.000 0.305 1302 V C 0.817 176.914 176.094 0.005 0.000 1.073 1302 V CA 0.970 63.275 62.300 0.009 0.000 1.098 1302 V CB 1.406 33.233 31.823 0.007 0.000 1.000 1302 V HN 1.140 nan 8.190 nan 0.000 0.484 1303 R N 2.082 122.581 120.500 -0.002 0.000 3.262 1303 R HA 0.508 4.844 4.340 -0.006 0.000 0.270 1303 R C -2.414 173.881 176.300 -0.008 0.000 1.147 1303 R CA -0.289 55.809 56.100 -0.003 0.000 1.189 1303 R CB 1.458 31.758 30.300 0.000 0.000 1.271 1303 R HN 0.541 nan 8.270 nan 0.000 0.447 1304 V N 4.519 124.427 119.914 -0.011 0.000 2.604 1304 V HA 0.639 4.756 4.120 -0.006 0.000 0.305 1304 V C -0.363 175.722 176.094 -0.016 0.000 1.043 1304 V CA -0.771 61.519 62.300 -0.016 0.000 0.888 1304 V CB 2.034 33.845 31.823 -0.021 0.000 0.995 1304 V HN 0.474 nan 8.190 nan 0.000 0.429 1305 V N 4.932 124.835 119.914 -0.018 0.000 2.628 1305 V HA 0.626 4.742 4.120 -0.006 0.000 0.306 1305 V C -0.471 175.609 176.094 -0.023 0.000 1.045 1305 V CA -0.591 61.699 62.300 -0.018 0.000 0.905 1305 V CB 1.931 33.745 31.823 -0.014 0.000 0.997 1305 V HN 0.720 nan 8.190 nan 0.000 0.436 1306 I N 2.089 122.644 120.570 -0.026 0.000 2.465 1306 I HA 0.465 4.632 4.170 -0.006 0.000 0.291 1306 I C -0.826 175.276 176.117 -0.025 0.000 1.014 1306 I CA -0.487 60.794 61.300 -0.030 0.000 1.093 1306 I CB 2.000 39.974 38.000 -0.042 0.000 1.267 1306 I HN 0.481 nan 8.210 nan 0.000 0.431 1307 D N 5.018 125.405 120.400 -0.023 0.000 2.232 1307 D HA 0.249 4.885 4.640 -0.006 0.000 0.242 1307 D C -0.555 175.732 176.300 -0.020 0.000 1.093 1307 D CA -0.120 53.868 54.000 -0.019 0.000 0.845 1307 D CB 2.704 43.495 40.800 -0.016 0.000 1.124 1307 D HN 0.119 nan 8.370 nan 0.000 0.467 1308 V N 3.735 123.638 119.914 -0.019 0.000 2.583 1308 V HA 0.127 4.243 4.120 -0.006 0.000 0.287 1308 V C 0.622 176.707 176.094 -0.015 0.000 1.051 1308 V CA -0.394 61.895 62.300 -0.018 0.000 1.010 1308 V CB 1.280 33.093 31.823 -0.017 0.000 0.988 1308 V HN 0.420 nan 8.190 nan 0.000 0.478 1309 R N 5.512 126.003 120.500 -0.015 0.000 2.316 1309 R HA 0.197 4.533 4.340 -0.006 0.000 0.314 1309 R C 0.361 176.655 176.300 -0.010 0.000 1.069 1309 R CA -0.445 55.648 56.100 -0.012 0.000 0.959 1309 R CB 0.425 30.718 30.300 -0.012 0.000 0.987 1309 R HN 0.810 nan 8.270 nan 0.000 0.446 1310 K N 2.929 123.324 120.400 -0.008 0.000 2.518 1310 K HA -0.168 4.149 4.320 -0.006 0.000 0.276 1310 K C 0.102 176.699 176.600 -0.006 0.000 0.974 1310 K CA 0.795 57.078 56.287 -0.007 0.000 0.986 1310 K CB 0.457 32.953 32.500 -0.005 0.000 0.901 1310 K HN 0.852 nan 8.250 nan 0.000 0.497 1311 D N -0.017 120.380 120.400 -0.005 0.000 2.229 1311 D HA -0.246 4.391 4.640 -0.006 0.000 0.162 1311 D C -0.101 176.196 176.300 -0.005 0.000 1.436 1311 D CA 1.591 55.588 54.000 -0.004 0.000 1.324 1311 D CB -1.108 39.689 40.800 -0.004 0.000 1.258 1311 D HN 0.903 nan 8.370 nan 0.000 0.477 1312 A N 0.051 122.867 122.820 -0.007 0.000 2.346 1312 A HA 0.402 4.718 4.320 -0.006 0.000 0.252 1312 A C 0.353 177.932 177.584 -0.008 0.000 1.089 1312 A CA 0.282 52.314 52.037 -0.008 0.000 0.797 1312 A CB 0.378 19.372 19.000 -0.011 0.000 1.047 1312 A HN 0.412 nan 8.150 nan 0.000 0.494 1313 N N 0.293 118.988 118.700 -0.008 0.000 2.426 1313 N HA 0.378 5.114 4.740 -0.006 0.000 0.275 1313 N C 0.726 176.230 175.510 -0.011 0.000 1.019 1313 N CA 0.412 53.458 53.050 -0.007 0.000 0.941 1313 N CB 1.670 40.155 38.487 -0.003 0.000 1.123 1313 N HN 0.579 nan 8.380 nan 0.000 0.486 1314 A N 2.870 125.684 122.820 -0.010 0.000 1.930 1314 A HA -0.035 4.281 4.320 -0.006 0.000 0.215 1314 A C 2.043 179.617 177.584 -0.016 0.000 1.176 1314 A CA 1.060 53.087 52.037 -0.016 0.000 0.632 1314 A CB -0.266 18.727 19.000 -0.012 0.000 0.819 1314 A HN 0.681 nan 8.150 nan 0.000 0.445 1315 S N -0.082 115.618 115.700 -0.001 0.000 2.399 1315 S HA -0.112 4.354 4.470 -0.006 0.000 0.231 1315 S C 1.840 176.447 174.600 0.010 0.000 1.022 1315 S CA 1.414 59.622 58.200 0.014 0.000 0.983 1315 S CB -0.348 62.866 63.200 0.024 0.000 0.803 1315 S HN 0.354 nan 8.310 nan 0.000 0.480 1316 V N 2.145 122.059 119.914 0.001 0.000 2.358 1316 V HA -0.114 4.003 4.120 -0.006 0.000 0.246 1316 V C 2.143 178.224 176.094 -0.020 0.000 1.047 1316 V CA 1.167 63.466 62.300 -0.001 0.000 1.035 1316 V CB -0.613 31.209 31.823 -0.002 0.000 0.658 1316 V HN 0.422 nan 8.190 nan 0.000 0.452 1317 I N -0.229 120.318 120.570 -0.038 0.000 2.353 1317 I HA -0.144 4.023 4.170 -0.006 0.000 0.248 1317 I C 2.373 178.417 176.117 -0.121 0.000 1.119 1317 I CA 1.376 62.638 61.300 -0.064 0.000 1.417 1317 I CB -1.180 36.785 38.000 -0.058 0.000 1.078 1317 I HN 0.323 nan 8.210 nan 0.000 0.421 1318 L N 1.510 122.651 121.223 -0.136 0.000 2.083 1318 L HA -0.181 4.156 4.340 -0.006 0.000 0.209 1318 L C 2.140 178.773 176.870 -0.396 0.000 1.083 1318 L CA 1.856 56.527 54.840 -0.282 0.000 0.752 1318 L CB -0.697 41.266 42.059 -0.160 0.000 0.899 1318 L HN 0.171 nan 8.230 nan 0.000 0.433 1319 N N -0.038 118.617 118.700 -0.075 0.000 2.106 1319 N HA -0.158 4.578 4.740 -0.006 0.000 0.188 1319 N C 1.656 177.187 175.510 0.035 0.000 1.029 1319 N CA 1.288 54.402 53.050 0.107 0.000 0.848 1319 N CB -0.638 37.922 38.487 0.122 0.000 1.007 1319 N HN 0.337 nan 8.380 nan 0.000 0.423 1320 N N 1.064 119.751 118.700 -0.021 0.000 2.132 1320 N HA -0.111 4.626 4.740 -0.006 0.000 0.191 1320 N C 1.750 177.230 175.510 -0.050 0.000 1.015 1320 N CA 0.621 53.657 53.050 -0.024 0.000 0.864 1320 N CB -0.381 38.087 38.487 -0.032 0.000 1.006 1320 N HN 0.295 nan 8.380 nan 0.000 0.430 1321 L N -0.893 120.244 121.223 -0.143 0.000 2.109 1321 L HA -0.140 4.197 4.340 -0.006 0.000 0.207 1321 L C 1.871 178.680 176.870 -0.102 0.000 1.086 1321 L CA 0.779 55.519 54.840 -0.166 0.000 0.760 1321 L CB -0.481 41.416 42.059 -0.271 0.000 0.910 1321 L HN 0.132 nan 8.230 nan 0.000 0.437 1322 Y N 0.859 121.154 120.300 -0.009 0.000 2.165 1322 Y HA -0.273 4.274 4.550 -0.006 0.000 0.286 1322 Y C 2.591 178.486 175.900 -0.008 0.000 1.155 1322 Y CA 1.154 59.249 58.100 -0.009 0.000 1.164 1322 Y CB -0.598 37.858 38.460 -0.006 0.000 0.978 1322 Y HN 0.106 nan 8.280 nan 0.000 0.513 1323 K N -0.086 120.403 120.400 0.148 0.000 1.984 1323 K HA -0.180 4.136 4.320 -0.006 0.000 0.209 1323 K C 1.819 178.447 176.600 0.046 0.000 1.046 1323 K CA 1.696 58.030 56.287 0.080 0.000 0.934 1323 K CB -0.406 32.128 32.500 0.057 0.000 0.717 1323 K HN 0.378 nan 8.250 nan 0.000 0.438 1324 Q N 0.632 120.447 119.800 0.025 0.000 2.482 1324 Q HA -0.021 4.316 4.340 -0.006 0.000 0.209 1324 Q C 0.588 176.589 176.000 0.003 0.000 0.961 1324 Q CA 0.664 56.471 55.803 0.007 0.000 0.945 1324 Q CB 0.300 29.035 28.738 -0.006 0.000 1.012 1324 Q HN 0.381 nan 8.270 nan 0.000 0.515 1325 T N -4.386 110.175 114.554 0.011 0.000 2.647 1325 T HA 0.352 4.699 4.350 -0.006 0.000 0.295 1325 T C -2.689 172.024 174.700 0.022 0.000 1.126 1325 T CA -1.728 60.375 62.100 0.006 0.000 1.040 1325 T CB 1.318 70.180 68.868 -0.011 0.000 1.472 1325 T HN -0.352 nan 8.240 nan 0.000 0.500 1326 P HA 0.298 nan 4.420 nan 0.000 0.249 1326 P C 1.001 178.320 177.300 0.032 0.000 1.544 1326 P CA -0.338 62.772 63.100 0.015 0.000 0.932 1326 P CB -0.086 31.610 31.700 -0.008 0.000 1.524 1327 L N -0.408 120.853 121.223 0.064 0.000 2.072 1327 L HA 0.017 4.353 4.340 -0.006 0.000 0.205 1327 L C 1.022 178.026 176.870 0.223 0.000 1.079 1327 L CA 1.822 56.739 54.840 0.129 0.000 0.752 1327 L CB -0.955 41.158 42.059 0.089 0.000 0.906 1327 L HN 0.138 nan 8.230 nan 0.000 0.436 1328 Q N 0.149 120.085 119.800 0.225 0.000 2.425 1328 Q HA 0.301 4.638 4.340 -0.006 0.000 0.254 1328 Q C -1.195 174.835 176.000 0.049 0.000 1.032 1328 Q CA -0.209 55.657 55.803 0.105 0.000 0.798 1328 Q CB 0.781 29.564 28.738 0.073 0.000 1.210 1328 Q HN 0.199 nan 8.270 nan 0.000 0.491 1329 T N 0.878 115.445 114.554 0.021 0.000 2.932 1329 T HA 0.644 4.990 4.350 -0.006 0.000 0.289 1329 T C -0.577 174.135 174.700 0.021 0.000 1.039 1329 T CA -0.897 61.212 62.100 0.016 0.000 1.024 1329 T CB 1.642 70.513 68.868 0.006 0.000 1.090 1329 T HN 0.531 nan 8.240 nan 0.000 0.496 1330 S N 0.625 116.347 115.700 0.037 0.000 2.532 1330 S HA 0.656 5.123 4.470 -0.006 0.000 0.299 1330 S C -1.117 173.553 174.600 0.117 0.000 1.105 1330 S CA -0.924 57.317 58.200 0.068 0.000 1.018 1330 S CB 0.878 64.103 63.200 0.040 0.000 1.021 1330 S HN 0.645 nan 8.310 nan 0.000 0.483 1331 F N 3.171 123.137 119.950 0.025 0.000 2.335 1331 F HA 0.588 5.111 4.527 -0.006 0.000 0.365 1331 F C 0.741 176.570 175.800 0.049 0.000 1.122 1331 F CA -0.291 57.747 58.000 0.065 0.000 1.151 1331 F CB 0.227 39.313 39.000 0.144 0.000 1.282 1331 F HN 0.895 nan 8.300 nan 0.000 0.513 1332 G N 5.960 114.662 108.800 -0.165 0.000 2.351 1332 G HA2 0.431 4.388 3.960 -0.006 0.000 0.287 1332 G HA3 0.431 4.388 3.960 -0.006 0.000 0.287 1332 G C -0.612 174.198 174.900 -0.149 0.000 1.159 1332 G CA -0.428 44.612 45.100 -0.099 0.000 0.929 1332 G HN 0.521 nan 8.290 nan 0.000 0.435 1333 V N 2.421 122.350 119.914 0.025 0.000 2.881 1333 V HA 0.280 4.396 4.120 -0.006 0.000 0.303 1333 V C 0.839 176.936 176.094 0.005 0.000 1.070 1333 V CA -0.233 62.107 62.300 0.067 0.000 1.074 1333 V CB 1.616 33.500 31.823 0.101 0.000 1.012 1333 V HN 0.927 nan 8.190 nan 0.000 0.482 1334 N N 1.457 120.168 118.700 0.018 0.000 2.498 1334 N HA 0.226 4.962 4.740 -0.006 0.000 0.272 1334 N C -0.090 175.429 175.510 0.015 0.000 1.534 1334 N CA -0.317 52.733 53.050 0.000 0.000 0.873 1334 N CB 0.180 38.650 38.487 -0.027 0.000 1.415 1334 N HN 0.672 nan 8.380 nan 0.000 0.496 1335 M N 1.899 121.516 119.600 0.028 0.000 3.385 1335 M HA -0.012 4.464 4.480 -0.006 0.000 0.239 1335 M C -0.552 175.754 176.300 0.010 0.000 1.761 1335 M CA 1.057 56.375 55.300 0.030 0.000 1.726 1335 M CB -1.031 31.591 32.600 0.036 0.000 1.495 1335 M HN 0.214 nan 8.290 nan 0.000 0.502 1336 I N 1.429 122.000 120.570 0.003 0.000 2.412 1336 I HA 0.688 4.854 4.170 -0.006 0.000 0.296 1336 I C 0.216 176.318 176.117 -0.025 0.000 0.987 1336 I CA -0.461 60.831 61.300 -0.014 0.000 1.180 1336 I CB 1.713 39.706 38.000 -0.012 0.000 1.340 1336 I HN 0.585 nan 8.210 nan 0.000 0.455 1337 A N 6.060 128.852 122.820 -0.048 0.000 2.533 1337 A HA 0.816 5.132 4.320 -0.006 0.000 0.293 1337 A C -1.389 176.140 177.584 -0.092 0.000 1.228 1337 A CA -0.648 51.351 52.037 -0.064 0.000 0.689 1337 A CB 1.282 20.238 19.000 -0.073 0.000 1.303 1337 A HN 0.586 nan 8.150 nan 0.000 0.444 1338 L N 1.326 122.487 121.223 -0.104 0.000 2.272 1338 L HA 0.451 4.787 4.340 -0.006 0.000 0.284 1338 L C -1.021 175.754 176.870 -0.158 0.000 1.045 1338 L CA -0.647 54.115 54.840 -0.131 0.000 0.842 1338 L CB 1.115 43.105 42.059 -0.114 0.000 1.224 1338 L HN 0.386 nan 8.230 nan 0.000 0.430 1339 V N 2.455 122.255 119.914 -0.191 0.000 2.333 1339 V HA 0.239 4.355 4.120 -0.006 0.000 0.274 1339 V C 0.686 176.679 176.094 -0.169 0.000 1.028 1339 V CA -0.539 61.621 62.300 -0.233 0.000 0.851 1339 V CB 0.869 32.495 31.823 -0.328 0.000 1.000 1339 V HN 0.944 nan 8.190 nan 0.000 0.456 1340 N N 3.294 121.926 118.700 -0.114 0.000 2.753 1340 N HA -0.217 4.519 4.740 -0.006 0.000 0.251 1340 N C 0.996 176.448 175.510 -0.097 0.000 1.097 1340 N CA 1.910 54.921 53.050 -0.064 0.000 0.786 1340 N CB -0.916 37.555 38.487 -0.026 0.000 1.137 1340 N HN 1.437 nan 8.380 nan 0.000 0.566 1341 G N -1.954 106.761 108.800 -0.142 0.000 2.255 1341 G HA2 -0.208 3.748 3.960 -0.006 0.000 0.196 1341 G HA3 -0.208 3.748 3.960 -0.006 0.000 0.196 1341 G C -0.024 174.660 174.900 -0.361 0.000 0.998 1341 G CA 0.060 45.050 45.100 -0.183 0.000 0.656 1341 G HN 0.471 nan 8.290 nan 0.000 0.490 1342 R N 0.154 120.425 120.500 -0.381 0.000 2.795 1342 R HA 0.531 4.867 4.340 -0.006 0.000 0.275 1342 R C -3.101 173.027 176.300 -0.287 0.000 0.981 1342 R CA -2.114 53.663 56.100 -0.539 0.000 0.917 1342 R CB 2.098 32.044 30.300 -0.590 0.000 1.202 1342 R HN -0.079 nan 8.270 nan 0.000 0.469 1343 P HA 0.042 nan 4.420 nan 0.000 0.263 1343 P C -1.186 176.067 177.300 -0.078 0.000 1.247 1343 P CA 0.310 63.347 63.100 -0.105 0.000 0.876 1343 P CB 0.309 31.985 31.700 -0.040 0.000 0.928 1344 K N 2.969 123.318 120.400 -0.085 0.000 2.345 1344 K HA 0.416 4.732 4.320 -0.006 0.000 0.255 1344 K C -0.744 175.827 176.600 -0.048 0.000 0.934 1344 K CA -1.078 55.170 56.287 -0.065 0.000 0.801 1344 K CB 1.110 33.556 32.500 -0.090 0.000 1.137 1344 K HN 0.190 nan 8.250 nan 0.000 0.424 1345 L N 6.369 127.578 121.223 -0.024 0.000 2.360 1345 L HA 0.414 4.751 4.340 -0.006 0.000 0.276 1345 L C -0.910 175.956 176.870 -0.007 0.000 1.121 1345 L CA 0.186 55.020 54.840 -0.011 0.000 0.845 1345 L CB 0.189 42.248 42.059 0.000 0.000 1.143 1345 L HN 0.582 nan 8.230 nan 0.000 0.452 1346 I N 1.976 122.545 120.570 -0.002 0.000 3.042 1346 I HA 0.738 4.904 4.170 -0.006 0.000 0.310 1346 I C -0.599 175.538 176.117 0.033 0.000 1.117 1346 I CA -0.781 60.525 61.300 0.009 0.000 1.003 1346 I CB 1.927 39.920 38.000 -0.012 0.000 1.228 1346 I HN 0.723 nan 8.210 nan 0.000 0.443 1347 N N 1.987 120.717 118.700 0.050 0.000 2.671 1347 N HA 0.391 5.128 4.740 -0.006 0.000 0.303 1347 N C 0.573 176.137 175.510 0.090 0.000 1.277 1347 N CA -0.864 52.233 53.050 0.077 0.000 0.933 1347 N CB 0.281 38.813 38.487 0.075 0.000 1.190 1347 N HN 0.812 nan 8.380 nan 0.000 0.600 1348 L N -0.381 120.924 121.223 0.137 0.000 2.042 1348 L HA -0.027 4.309 4.340 -0.006 0.000 0.210 1348 L C 1.987 178.865 176.870 0.014 0.000 1.076 1348 L CA 1.904 56.797 54.840 0.089 0.000 0.749 1348 L CB -0.888 41.189 42.059 0.031 0.000 0.893 1348 L HN 0.810 nan 8.230 nan 0.000 0.432 1349 K N -0.598 119.814 120.400 0.020 0.000 2.025 1349 K HA -0.169 4.148 4.320 -0.006 0.000 0.207 1349 K C 1.961 178.589 176.600 0.046 0.000 1.049 1349 K CA 1.591 57.886 56.287 0.013 0.000 0.933 1349 K CB -0.132 32.373 32.500 0.009 0.000 0.714 1349 K HN 0.483 nan 8.250 nan 0.000 0.438 1350 E N 0.203 120.447 120.200 0.073 0.000 2.070 1350 E HA -0.234 4.112 4.350 -0.006 0.000 0.197 1350 E C 1.985 178.690 176.600 0.175 0.000 1.004 1350 E CA 1.257 57.743 56.400 0.143 0.000 0.805 1350 E CB -0.218 29.561 29.700 0.132 0.000 0.744 1350 E HN 0.423 nan 8.360 nan 0.000 0.451 1351 A N 1.047 123.922 122.820 0.092 0.000 1.986 1351 A HA -0.195 4.121 4.320 -0.006 0.000 0.220 1351 A C 2.165 179.807 177.584 0.096 0.000 1.171 1351 A CA 1.281 53.356 52.037 0.064 0.000 0.640 1351 A CB -0.521 18.484 19.000 0.008 0.000 0.811 1351 A HN 0.145 nan 8.150 nan 0.000 0.451 1352 L N -1.037 120.234 121.223 0.080 0.000 2.127 1352 L HA -0.072 4.265 4.340 -0.006 0.000 0.203 1352 L C 2.487 179.449 176.870 0.154 0.000 1.080 1352 L CA 0.692 55.595 54.840 0.106 0.000 0.768 1352 L CB -0.409 41.670 42.059 0.034 0.000 0.924 1352 L HN 0.241 nan 8.230 nan 0.000 0.444 1353 V N -0.766 119.202 119.914 0.089 0.000 2.343 1353 V HA -0.309 3.807 4.120 -0.006 0.000 0.247 1353 V C 2.458 178.546 176.094 -0.009 0.000 1.051 1353 V CA 1.670 63.977 62.300 0.012 0.000 1.036 1353 V CB -0.892 30.892 31.823 -0.065 0.000 0.654 1353 V HN 0.458 nan 8.190 nan 0.000 0.451 1354 H N -1.331 117.765 119.070 0.043 0.000 2.357 1354 H HA -0.183 4.369 4.556 -0.006 0.000 0.301 1354 H C 2.261 177.621 175.328 0.054 0.000 1.082 1354 H CA 2.343 58.411 56.048 0.034 0.000 1.342 1354 H CB -0.200 29.576 29.762 0.023 0.000 1.389 1354 H HN 0.608 nan 8.280 nan 0.000 0.511 1355 Y N 1.416 121.781 120.300 0.108 0.000 2.181 1355 Y HA -0.214 4.332 4.550 -0.006 0.000 0.288 1355 Y C 2.571 178.514 175.900 0.072 0.000 1.146 1355 Y CA 1.180 59.313 58.100 0.055 0.000 1.164 1355 Y CB -0.406 38.053 38.460 -0.000 0.000 0.982 1355 Y HN 0.065 nan 8.280 nan 0.000 0.515 1356 L N 0.575 121.736 121.223 -0.104 0.000 2.093 1356 L HA -0.125 4.211 4.340 -0.006 0.000 0.208 1356 L C 2.301 179.060 176.870 -0.184 0.000 1.085 1356 L CA 2.144 56.871 54.840 -0.188 0.000 0.755 1356 L CB -0.685 41.362 42.059 -0.019 0.000 0.904 1356 L HN 0.236 nan 8.230 nan 0.000 0.435 1357 E N -0.701 119.434 120.200 -0.109 0.000 2.058 1357 E HA -0.319 4.027 4.350 -0.006 0.000 0.194 1357 E C 2.178 178.718 176.600 -0.100 0.000 0.997 1357 E CA 1.840 58.181 56.400 -0.098 0.000 0.801 1357 E CB -0.301 29.345 29.700 -0.091 0.000 0.746 1357 E HN 0.731 nan 8.360 nan 0.000 0.450 1358 H N -0.077 118.886 119.070 -0.179 0.000 2.319 1358 H HA -0.051 4.501 4.556 -0.007 0.000 0.299 1358 H C 1.923 177.118 175.328 -0.222 0.000 1.092 1358 H CA 2.189 58.131 56.048 -0.177 0.000 1.302 1358 H CB 0.003 29.660 29.762 -0.176 0.000 1.373 1358 H HN 0.101 nan 8.280 nan 0.000 0.497 1359 Q N 0.531 120.123 119.800 -0.348 0.000 2.226 1359 Q HA -0.129 4.208 4.340 -0.006 0.000 0.204 1359 Q C 2.137 177.987 176.000 -0.250 0.000 0.975 1359 Q CA 1.241 56.834 55.803 -0.350 0.000 0.866 1359 Q CB -0.033 28.448 28.738 -0.427 0.000 0.915 1359 Q HN 0.594 nan 8.270 nan 0.000 0.440 1360 K N -0.405 119.869 120.400 -0.210 0.000 2.031 1360 K HA -0.054 4.262 4.320 -0.006 0.000 0.205 1360 K C 2.137 178.647 176.600 -0.151 0.000 1.049 1360 K CA 1.547 57.746 56.287 -0.146 0.000 0.939 1360 K CB 0.035 32.467 32.500 -0.114 0.000 0.717 1360 K HN 0.168 nan 8.250 nan 0.000 0.438 1361 T N 1.090 115.530 114.554 -0.189 0.000 2.812 1361 T HA -0.094 4.252 4.350 -0.006 0.000 0.264 1361 T C 1.955 176.534 174.700 -0.201 0.000 1.042 1361 T CA 0.790 62.787 62.100 -0.172 0.000 1.140 1361 T CB -0.321 68.448 68.868 -0.164 0.000 0.870 1361 T HN -0.018 nan 8.240 nan 0.000 0.445 1362 V N 1.550 121.270 119.914 -0.323 0.000 2.324 1362 V HA -0.191 3.925 4.120 -0.006 0.000 0.250 1362 V C 2.497 178.497 176.094 -0.156 0.000 1.060 1362 V CA 1.735 63.859 62.300 -0.293 0.000 1.042 1362 V CB -0.515 31.059 31.823 -0.415 0.000 0.650 1362 V HN 0.363 nan 8.190 nan 0.000 0.450 1363 V N 0.251 120.083 119.914 -0.135 0.000 2.358 1363 V HA -0.213 3.904 4.120 -0.006 0.000 0.246 1363 V C 2.591 178.652 176.094 -0.054 0.000 1.047 1363 V CA 2.405 64.660 62.300 -0.074 0.000 1.035 1363 V CB -0.885 30.899 31.823 -0.065 0.000 0.658 1363 V HN 0.573 nan 8.190 nan 0.000 0.452 1364 R N 0.684 121.143 120.500 -0.069 0.000 2.091 1364 R HA -0.175 4.162 4.340 -0.006 0.000 0.238 1364 R C 2.468 178.749 176.300 -0.030 0.000 1.136 1364 R CA 1.772 57.842 56.100 -0.049 0.000 0.959 1364 R CB -0.115 30.151 30.300 -0.057 0.000 0.856 1364 R HN 0.561 nan 8.270 nan 0.000 0.437 1365 R N -0.193 120.285 120.500 -0.038 0.000 2.200 1365 R HA -0.028 4.309 4.340 -0.006 0.000 0.208 1365 R C 2.327 178.645 176.300 0.030 0.000 1.033 1365 R CA 0.746 56.842 56.100 -0.005 0.000 1.000 1365 R CB -0.494 29.795 30.300 -0.017 0.000 0.906 1365 R HN 0.220 nan 8.270 nan 0.000 0.462 1366 R N 1.714 122.217 120.500 0.006 0.000 2.083 1366 R HA -0.111 4.226 4.340 -0.006 0.000 0.237 1366 R C 1.466 177.824 176.300 0.096 0.000 1.137 1366 R CA 2.179 58.302 56.100 0.039 0.000 0.951 1366 R CB -0.441 29.866 30.300 0.012 0.000 0.851 1366 R HN 0.103 nan 8.270 nan 0.000 0.434 1367 T N 1.104 115.687 114.554 0.047 0.000 2.746 1367 T HA -0.161 4.185 4.350 -0.006 0.000 0.267 1367 T C 1.821 176.537 174.700 0.026 0.000 1.039 1367 T CA 1.619 63.737 62.100 0.031 0.000 1.142 1367 T CB -0.212 68.653 68.868 -0.005 0.000 0.866 1367 T HN 0.429 nan 8.240 nan 0.000 0.444 1368 Q N -0.221 119.598 119.800 0.032 0.000 2.045 1368 Q HA -0.186 4.150 4.340 -0.006 0.000 0.206 1368 Q C 2.087 178.119 176.000 0.054 0.000 0.991 1368 Q CA 2.000 57.817 55.803 0.024 0.000 0.851 1368 Q CB -0.442 28.312 28.738 0.026 0.000 0.911 1368 Q HN 0.636 nan 8.270 nan 0.000 0.418 1369 Y N 1.993 122.286 120.300 -0.012 0.000 2.030 1369 Y HA -0.340 4.205 4.550 -0.008 0.000 0.274 1369 Y C 2.027 177.930 175.900 0.006 0.000 1.153 1369 Y CA 1.896 59.998 58.100 0.003 0.000 1.115 1369 Y CB -0.388 38.083 38.460 0.018 0.000 0.969 1369 Y HN 0.133 nan 8.280 nan 0.000 0.488 1370 N N 0.548 119.374 118.700 0.210 0.000 2.096 1370 N HA -0.241 4.495 4.740 -0.006 0.000 0.195 1370 N C 1.829 177.302 175.510 -0.062 0.000 1.017 1370 N CA 1.808 54.923 53.050 0.110 0.000 0.870 1370 N CB -0.806 37.783 38.487 0.169 0.000 1.024 1370 N HN 0.474 nan 8.380 nan 0.000 0.434 1371 L N 1.449 122.614 121.223 -0.098 0.000 2.056 1371 L HA -0.060 4.277 4.340 -0.006 0.000 0.207 1371 L C 2.197 178.987 176.870 -0.134 0.000 1.078 1371 L CA 1.564 56.318 54.840 -0.143 0.000 0.749 1371 L CB -0.520 41.464 42.059 -0.125 0.000 0.901 1371 L HN -0.018 nan 8.230 nan 0.000 0.433 1372 R N -0.703 119.708 120.500 -0.148 0.000 2.096 1372 R HA -0.128 4.208 4.340 -0.006 0.000 0.235 1372 R C 1.892 178.084 176.300 -0.180 0.000 1.127 1372 R CA 1.309 57.316 56.100 -0.155 0.000 0.968 1372 R CB -0.095 30.107 30.300 -0.164 0.000 0.861 1372 R HN 0.167 nan 8.270 nan 0.000 0.440 1373 K N -0.470 119.773 120.400 -0.262 0.000 2.361 1373 K HA 0.164 4.480 4.320 -0.006 0.000 0.196 1373 K C 1.454 178.000 176.600 -0.090 0.000 1.039 1373 K CA 0.760 56.917 56.287 -0.218 0.000 1.001 1373 K CB 0.168 32.452 32.500 -0.360 0.000 0.795 1373 K HN 0.132 nan 8.250 nan 0.000 0.495 1374 A N 0.807 123.584 122.820 -0.072 0.000 2.016 1374 A HA -0.080 4.236 4.320 -0.006 0.000 0.217 1374 A C 1.769 179.336 177.584 -0.029 0.000 1.162 1374 A CA 1.211 53.238 52.037 -0.016 0.000 0.662 1374 A CB -0.103 18.866 19.000 -0.051 0.000 0.812 1374 A HN 0.169 nan 8.150 nan 0.000 0.450 1375 K N -0.660 119.709 120.400 -0.052 0.000 2.211 1375 K HA -0.033 4.283 4.320 -0.006 0.000 0.201 1375 K C 1.138 177.743 176.600 0.008 0.000 1.052 1375 K CA 1.025 57.295 56.287 -0.029 0.000 0.973 1375 K CB -0.090 32.380 32.500 -0.050 0.000 0.766 1375 K HN 0.262 nan 8.250 nan 0.000 0.466 1376 D N 0.592 120.984 120.400 -0.014 0.000 2.144 1376 D HA -0.088 4.549 4.640 -0.006 0.000 0.200 1376 D C 1.875 178.201 176.300 0.044 0.000 0.978 1376 D CA 0.864 54.871 54.000 0.012 0.000 0.833 1376 D CB 0.189 40.972 40.800 -0.028 0.000 0.961 1376 D HN -0.077 nan 8.370 nan 0.000 0.470 1377 R N 0.032 120.549 120.500 0.028 0.000 2.193 1377 R HA 0.172 4.508 4.340 -0.006 0.000 0.213 1377 R C 1.747 178.086 176.300 0.066 0.000 1.055 1377 R CA 0.641 56.767 56.100 0.043 0.000 0.995 1377 R CB -0.254 30.069 30.300 0.038 0.000 0.893 1377 R HN 0.138 nan 8.270 nan 0.000 0.459 1378 A N -0.854 122.006 122.820 0.067 0.000 1.975 1378 A HA -0.121 4.195 4.320 -0.006 0.000 0.215 1378 A C 1.868 179.543 177.584 0.152 0.000 1.170 1378 A CA 1.106 53.191 52.037 0.081 0.000 0.656 1378 A CB -0.432 18.576 19.000 0.013 0.000 0.821 1378 A HN 0.321 nan 8.150 nan 0.000 0.449 1379 H N -0.298 118.799 119.070 0.045 0.000 2.470 1379 H HA 0.048 4.600 4.556 -0.007 0.000 0.289 1379 H C 1.696 177.053 175.328 0.047 0.000 1.033 1379 H CA 1.139 57.215 56.048 0.048 0.000 1.331 1379 H CB 0.028 29.803 29.762 0.020 0.000 1.414 1379 H HN 0.306 nan 8.280 nan 0.000 0.545 1380 I N 0.374 120.966 120.570 0.037 0.000 2.090 1380 I HA -0.245 3.921 4.170 -0.006 0.000 0.236 1380 I C 2.202 178.298 176.117 -0.035 0.000 1.064 1380 I CA 1.131 62.420 61.300 -0.018 0.000 1.324 1380 I CB -1.240 36.775 38.000 0.024 0.000 1.044 1380 I HN 0.313 nan 8.210 nan 0.000 0.399 1381 L N 0.318 121.564 121.223 0.038 0.000 2.349 1381 L HA -0.197 4.139 4.340 -0.006 0.000 0.220 1381 L C 2.415 179.287 176.870 0.003 0.000 1.130 1381 L CA 1.045 55.920 54.840 0.059 0.000 0.791 1381 L CB -0.551 41.621 42.059 0.188 0.000 0.918 1381 L HN 0.367 nan 8.230 nan 0.000 0.444 1382 E N 0.120 120.321 120.200 0.001 0.000 2.170 1382 E HA -0.102 4.244 4.350 -0.006 0.000 0.191 1382 E C 2.182 178.691 176.600 -0.153 0.000 0.981 1382 E CA 0.769 57.132 56.400 -0.060 0.000 0.830 1382 E CB 0.009 29.716 29.700 0.012 0.000 0.775 1382 E HN 0.455 nan 8.360 nan 0.000 0.470 1383 G N 0.412 109.096 108.800 -0.194 0.000 2.712 1383 G HA2 -0.062 3.895 3.960 -0.006 0.000 0.212 1383 G HA3 -0.062 3.895 3.960 -0.006 0.000 0.212 1383 G C 1.342 176.159 174.900 -0.138 0.000 1.142 1383 G CA -0.071 44.920 45.100 -0.181 0.000 0.789 1383 G HN 0.139 nan 8.290 nan 0.000 0.535 1384 L N -0.677 120.476 121.223 -0.116 0.000 2.558 1384 L HA 0.258 4.594 4.340 -0.006 0.000 0.225 1384 L C 2.718 179.524 176.870 -0.106 0.000 1.128 1384 L CA 0.090 54.873 54.840 -0.095 0.000 0.868 1384 L CB -0.050 41.971 42.059 -0.063 0.000 1.006 1384 L HN 0.103 nan 8.230 nan 0.000 0.454 1385 R N 0.086 120.504 120.500 -0.136 0.000 2.128 1385 R HA 0.143 4.479 4.340 -0.006 0.000 0.211 1385 R C 2.189 178.428 176.300 -0.102 0.000 1.067 1385 R CA 0.568 56.580 56.100 -0.148 0.000 1.010 1385 R CB 0.144 30.294 30.300 -0.251 0.000 0.922 1385 R HN 0.246 nan 8.270 nan 0.000 0.457 1386 I N 0.709 121.206 120.570 -0.121 0.000 2.614 1386 I HA -0.190 3.976 4.170 -0.006 0.000 0.258 1386 I C 2.261 178.290 176.117 -0.146 0.000 1.189 1386 I CA 0.794 62.006 61.300 -0.147 0.000 1.462 1386 I CB -0.137 37.750 38.000 -0.188 0.000 1.092 1386 I HN 0.192 nan 8.210 nan 0.000 0.442 1387 A N 0.692 123.432 122.820 -0.134 0.000 1.874 1387 A HA -0.061 4.256 4.320 -0.006 0.000 0.214 1387 A C 2.246 179.785 177.584 -0.076 0.000 1.189 1387 A CA 0.914 52.868 52.037 -0.138 0.000 0.615 1387 A CB -0.523 18.400 19.000 -0.128 0.000 0.830 1387 A HN 0.291 nan 8.150 nan 0.000 0.443 1388 L N -0.389 120.801 121.223 -0.054 0.000 2.049 1388 L HA -0.125 4.211 4.340 -0.006 0.000 0.203 1388 L C 2.132 178.995 176.870 -0.012 0.000 1.074 1388 L CA 1.395 56.213 54.840 -0.036 0.000 0.749 1388 L CB -0.685 41.350 42.059 -0.041 0.000 0.907 1388 L HN 0.359 nan 8.230 nan 0.000 0.439 1389 D N -0.912 119.494 120.400 0.010 0.000 2.104 1389 D HA -0.199 4.437 4.640 -0.006 0.000 0.194 1389 D C 1.304 177.626 176.300 0.036 0.000 0.994 1389 D CA 1.396 55.415 54.000 0.031 0.000 0.830 1389 D CB -0.400 40.440 40.800 0.067 0.000 0.959 1389 D HN 0.429 nan 8.370 nan 0.000 0.452 1390 H N 0.147 119.185 119.070 -0.054 0.000 2.672 1390 H HA 0.109 4.661 4.556 -0.006 0.000 0.262 1390 H C 1.321 176.586 175.328 -0.105 0.000 1.577 1390 H CA -0.425 55.590 56.048 -0.056 0.000 1.183 1390 H CB 0.200 29.920 29.762 -0.070 0.000 1.546 1390 H HN 0.057 nan 8.280 nan 0.000 0.502 1391 I N 0.589 121.157 120.570 -0.003 0.000 2.353 1391 I HA -0.201 3.966 4.170 -0.006 0.000 0.248 1391 I C 1.650 177.747 176.117 -0.033 0.000 1.119 1391 I CA 1.395 62.676 61.300 -0.032 0.000 1.417 1391 I CB 0.031 38.013 38.000 -0.031 0.000 1.078 1391 I HN 0.285 nan 8.210 nan 0.000 0.421 1392 D N 0.506 120.893 120.400 -0.022 0.000 2.097 1392 D HA -0.193 4.444 4.640 -0.006 0.000 0.197 1392 D C 1.845 178.148 176.300 0.005 0.000 0.984 1392 D CA 1.386 55.379 54.000 -0.013 0.000 0.826 1392 D CB -0.468 40.323 40.800 -0.016 0.000 0.973 1392 D HN 0.525 nan 8.370 nan 0.000 0.460 1393 E N 0.291 120.510 120.200 0.032 0.000 2.333 1393 E HA -0.108 4.239 4.350 -0.006 0.000 0.198 1393 E C 2.056 178.684 176.600 0.046 0.000 1.007 1393 E CA 0.285 56.739 56.400 0.090 0.000 0.845 1393 E CB 0.154 30.003 29.700 0.248 0.000 0.766 1393 E HN 0.304 nan 8.360 nan 0.000 0.507 1394 I N 0.903 121.447 120.570 -0.045 0.000 2.500 1394 I HA -0.171 3.995 4.170 -0.006 0.000 0.252 1394 I C 2.247 178.343 176.117 -0.034 0.000 1.142 1394 I CA 0.625 61.874 61.300 -0.085 0.000 1.451 1394 I CB -0.778 37.133 38.000 -0.150 0.000 1.093 1394 I HN 0.094 nan 8.210 nan 0.000 0.430 1395 I N 0.840 121.397 120.570 -0.021 0.000 2.099 1395 I HA -0.246 3.920 4.170 -0.006 0.000 0.239 1395 I C 2.555 178.674 176.117 0.004 0.000 1.066 1395 I CA 1.347 62.641 61.300 -0.010 0.000 1.324 1395 I CB -1.487 36.508 38.000 -0.009 0.000 1.037 1395 I HN 0.142 nan 8.210 nan 0.000 0.401 1396 S N 0.351 116.060 115.700 0.016 0.000 2.419 1396 S HA -0.130 4.336 4.470 -0.006 0.000 0.233 1396 S C 1.931 176.552 174.600 0.034 0.000 1.016 1396 S CA 1.631 59.847 58.200 0.026 0.000 0.974 1396 S CB -0.283 62.938 63.200 0.035 0.000 0.786 1396 S HN 0.517 nan 8.310 nan 0.000 0.492 1397 T N 1.362 115.941 114.554 0.042 0.000 3.043 1397 T HA 0.264 4.611 4.350 -0.006 0.000 0.263 1397 T C 1.529 176.248 174.700 0.031 0.000 1.094 1397 T CA 0.478 62.611 62.100 0.055 0.000 1.127 1397 T CB -0.026 68.898 68.868 0.094 0.000 0.905 1397 T HN 0.333 nan 8.240 nan 0.000 0.490 1398 I N 0.156 120.734 120.570 0.012 0.000 3.081 1398 I HA 0.082 4.248 4.170 -0.006 0.000 0.274 1398 I C 2.290 178.410 176.117 0.006 0.000 1.178 1398 I CA 0.250 61.553 61.300 0.005 0.000 1.460 1398 I CB 0.001 37.996 38.000 -0.008 0.000 1.137 1398 I HN -0.053 nan 8.210 nan 0.000 0.443 1399 R N 1.555 122.059 120.500 0.007 0.000 2.328 1399 R HA -0.132 4.204 4.340 -0.006 0.000 0.207 1399 R C 1.528 177.834 176.300 0.010 0.000 1.056 1399 R CA 0.921 57.025 56.100 0.007 0.000 1.016 1399 R CB -0.205 30.098 30.300 0.006 0.000 0.872 1399 R HN 0.641 nan 8.270 nan 0.000 0.471 1400 E N -0.742 119.466 120.200 0.014 0.000 2.330 1400 E HA 0.104 4.451 4.350 -0.006 0.000 0.200 1400 E C 0.064 176.673 176.600 0.015 0.000 0.922 1400 E CA -0.172 56.237 56.400 0.015 0.000 0.935 1400 E CB 0.024 29.736 29.700 0.020 0.000 0.917 1400 E HN -0.173 nan 8.360 nan 0.000 0.491 1401 S N 1.976 117.686 115.700 0.016 0.000 2.537 1401 S HA -0.005 4.462 4.470 -0.006 0.000 0.286 1401 S C -0.010 174.596 174.600 0.009 0.000 1.299 1401 S CA -0.151 58.058 58.200 0.014 0.000 1.067 1401 S CB 0.905 64.114 63.200 0.014 0.000 0.864 1401 S HN 0.215 nan 8.310 nan 0.000 0.494 1402 D N 1.734 122.139 120.400 0.009 0.000 2.584 1402 D HA 0.045 4.682 4.640 -0.006 0.000 0.254 1402 D C 1.513 177.816 176.300 0.005 0.000 1.085 1402 D CA 1.002 55.006 54.000 0.006 0.000 0.971 1402 D CB -0.338 40.466 40.800 0.006 0.000 1.103 1402 D HN 0.659 nan 8.370 nan 0.000 0.453 1403 T N -0.983 113.574 114.554 0.006 0.000 2.771 1403 T HA 0.160 4.507 4.350 -0.006 0.000 0.290 1403 T C 0.637 175.340 174.700 0.005 0.000 1.005 1403 T CA -0.425 61.678 62.100 0.005 0.000 0.944 1403 T CB 0.776 69.647 68.868 0.005 0.000 1.147 1403 T HN -0.253 nan 8.240 nan 0.000 0.534 1404 D N -0.952 119.451 120.400 0.004 0.000 2.240 1404 D HA 0.073 4.709 4.640 -0.006 0.000 0.206 1404 D C 1.882 178.185 176.300 0.006 0.000 0.963 1404 D CA 0.696 54.699 54.000 0.004 0.000 0.863 1404 D CB -0.105 40.697 40.800 0.002 0.000 0.973 1404 D HN 0.621 nan 8.370 nan 0.000 0.501 1405 K N 0.568 120.972 120.400 0.006 0.000 2.288 1405 K HA -0.000 4.316 4.320 -0.006 0.000 0.201 1405 K C 1.376 177.982 176.600 0.010 0.000 1.048 1405 K CA 0.422 56.713 56.287 0.007 0.000 0.956 1405 K CB 0.364 32.867 32.500 0.006 0.000 0.746 1405 K HN -0.062 nan 8.250 nan 0.000 0.461 1406 V N 0.545 120.466 119.914 0.010 0.000 3.052 1406 V HA -0.002 4.114 4.120 -0.006 0.000 0.254 1406 V C 1.725 177.830 176.094 0.017 0.000 1.100 1406 V CA 1.330 63.638 62.300 0.013 0.000 1.112 1406 V CB 0.445 32.275 31.823 0.012 0.000 0.738 1406 V HN 0.342 nan 8.190 nan 0.000 0.469 1407 A N -1.338 121.491 122.820 0.014 0.000 2.251 1407 A HA 0.184 4.500 4.320 -0.006 0.000 0.209 1407 A C 1.938 179.532 177.584 0.017 0.000 1.187 1407 A CA 0.529 52.575 52.037 0.016 0.000 0.823 1407 A CB -0.105 18.900 19.000 0.009 0.000 0.846 1407 A HN 0.340 nan 8.150 nan 0.000 0.486 1408 M N -0.981 118.629 119.600 0.018 0.000 2.858 1408 M HA 0.118 4.594 4.480 -0.006 0.000 0.255 1408 M C 0.911 177.228 176.300 0.028 0.000 1.336 1408 M CA 0.905 56.216 55.300 0.019 0.000 1.220 1408 M CB -0.823 31.786 32.600 0.015 0.000 1.252 1408 M HN 0.436 nan 8.290 nan 0.000 0.538 1409 E N -0.029 120.186 120.200 0.025 0.000 2.365 1409 E HA 0.050 4.397 4.350 -0.006 0.000 0.188 1409 E C 1.159 177.779 176.600 0.034 0.000 1.102 1409 E CA -0.108 56.307 56.400 0.026 0.000 0.927 1409 E CB 0.143 29.854 29.700 0.018 0.000 1.073 1409 E HN 0.240 nan 8.360 nan 0.000 0.467 1410 S N 0.146 115.874 115.700 0.047 0.000 2.655 1410 S HA 0.045 4.512 4.470 -0.006 0.000 0.231 1410 S C 1.680 176.347 174.600 0.112 0.000 1.044 1410 S CA -0.059 58.181 58.200 0.065 0.000 0.910 1410 S CB 0.158 63.397 63.200 0.065 0.000 0.833 1410 S HN 0.234 nan 8.310 nan 0.000 0.581 1411 L N 1.219 122.520 121.223 0.129 0.000 2.551 1411 L HA 0.170 4.506 4.340 -0.006 0.000 0.228 1411 L C 2.020 178.994 176.870 0.173 0.000 1.153 1411 L CA 0.722 55.692 54.840 0.216 0.000 0.851 1411 L CB -0.679 41.436 42.059 0.092 0.000 0.959 1411 L HN 0.207 nan 8.230 nan 0.000 0.451 1412 Q N 0.380 120.239 119.800 0.098 0.000 2.123 1412 Q HA -0.087 4.249 4.340 -0.006 0.000 0.196 1412 Q C 1.966 177.996 176.000 0.050 0.000 0.958 1412 Q CA 1.080 56.924 55.803 0.068 0.000 0.841 1412 Q CB 0.013 28.778 28.738 0.045 0.000 0.915 1412 Q HN 0.620 nan 8.270 nan 0.000 0.455 1413 Q N -0.345 119.478 119.800 0.038 0.000 2.425 1413 Q HA 0.046 4.383 4.340 -0.006 0.000 0.204 1413 Q C 1.373 177.345 176.000 -0.047 0.000 0.933 1413 Q CA 0.324 56.127 55.803 0.001 0.000 0.939 1413 Q CB 0.452 29.190 28.738 0.000 0.000 1.044 1413 Q HN 0.094 nan 8.270 nan 0.000 0.513 1414 R N -1.132 119.336 120.500 -0.052 0.000 2.531 1414 R HA 0.154 4.490 4.340 -0.006 0.000 0.316 1414 R C -0.305 175.572 176.300 -0.705 0.000 0.955 1414 R CA 0.109 56.025 56.100 -0.306 0.000 1.120 1414 R CB 0.880 31.026 30.300 -0.257 0.000 1.361 1414 R HN 0.077 nan 8.270 nan 0.000 0.534 1415 F N 0.232 120.159 119.950 -0.040 0.000 2.875 1415 F HA 0.316 4.840 4.527 -0.006 0.000 0.334 1415 F C -0.051 175.708 175.800 -0.067 0.000 1.228 1415 F CA -0.629 57.324 58.000 -0.078 0.000 1.094 1415 F CB 0.824 39.760 39.000 -0.107 0.000 1.239 1415 F HN -0.220 nan 8.300 nan 0.000 0.509 1416 K N 1.506 121.944 120.400 0.063 0.000 3.010 1416 K HA -0.207 4.110 4.320 -0.006 0.000 0.255 1416 K C -0.411 176.228 176.600 0.064 0.000 0.929 1416 K CA 0.624 56.939 56.287 0.047 0.000 0.687 1416 K CB -1.531 30.983 32.500 0.024 0.000 1.304 1416 K HN 0.414 nan 8.250 nan 0.000 0.479 1417 L N 0.897 122.165 121.223 0.076 0.000 2.292 1417 L HA 0.145 4.481 4.340 -0.006 0.000 0.284 1417 L C 1.429 178.341 176.870 0.070 0.000 1.065 1417 L CA -0.572 54.299 54.840 0.053 0.000 0.806 1417 L CB 1.387 43.458 42.059 0.021 0.000 1.175 1417 L HN 0.156 nan 8.230 nan 0.000 0.431 1418 S N 1.303 117.072 115.700 0.115 0.000 2.695 1418 S HA -0.056 4.410 4.470 -0.006 0.000 0.250 1418 S C 0.914 175.560 174.600 0.077 0.000 1.355 1418 S CA 0.033 58.308 58.200 0.125 0.000 0.965 1418 S CB 0.517 63.856 63.200 0.232 0.000 0.987 1418 S HN 0.772 nan 8.310 nan 0.000 0.576 1419 E N 0.062 120.301 120.200 0.065 0.000 2.122 1419 E HA 0.024 4.370 4.350 -0.006 0.000 0.190 1419 E C 1.484 178.109 176.600 0.042 0.000 0.977 1419 E CA 0.489 56.914 56.400 0.042 0.000 0.820 1419 E CB -0.062 29.655 29.700 0.029 0.000 0.770 1419 E HN 0.567 nan 8.360 nan 0.000 0.462 1420 K N 0.070 120.508 120.400 0.064 0.000 2.525 1420 K HA -0.002 4.315 4.320 -0.006 0.000 0.192 1420 K C 1.558 178.188 176.600 0.050 0.000 1.029 1420 K CA 0.345 56.668 56.287 0.061 0.000 1.029 1420 K CB 0.277 32.827 32.500 0.083 0.000 0.814 1420 K HN 0.097 nan 8.250 nan 0.000 0.503 1421 Q N -0.866 118.957 119.800 0.038 0.000 2.389 1421 Q HA 0.178 4.514 4.340 -0.006 0.000 0.201 1421 Q C 2.010 177.995 176.000 -0.025 0.000 0.956 1421 Q CA 0.589 56.380 55.803 -0.020 0.000 0.871 1421 Q CB 0.056 28.761 28.738 -0.055 0.000 0.990 1421 Q HN 0.312 nan 8.270 nan 0.000 0.554 1422 A N 0.874 123.690 122.820 -0.007 0.000 2.076 1422 A HA -0.226 4.090 4.320 -0.006 0.000 0.220 1422 A C 1.947 179.525 177.584 -0.010 0.000 1.160 1422 A CA 1.227 53.257 52.037 -0.011 0.000 0.653 1422 A CB -0.310 18.696 19.000 0.009 0.000 0.801 1422 A HN 0.280 nan 8.150 nan 0.000 0.455 1423 Q N -0.672 119.127 119.800 -0.001 0.000 1.969 1423 Q HA -0.028 4.309 4.340 -0.006 0.000 0.198 1423 Q C 2.315 178.310 176.000 -0.008 0.000 0.978 1423 Q CA 1.527 57.329 55.803 -0.001 0.000 0.830 1423 Q CB -0.621 28.122 28.738 0.008 0.000 0.896 1423 Q HN 0.586 nan 8.270 nan 0.000 0.431 1424 A N 0.122 122.937 122.820 -0.008 0.000 2.259 1424 A HA -0.071 4.246 4.320 -0.006 0.000 0.212 1424 A C 1.799 179.367 177.584 -0.026 0.000 1.178 1424 A CA 0.622 52.651 52.037 -0.013 0.000 0.734 1424 A CB -0.545 18.450 19.000 -0.009 0.000 0.774 1424 A HN 0.336 nan 8.150 nan 0.000 0.481 1425 I N -1.428 119.122 120.570 -0.033 0.000 2.729 1425 I HA -0.033 4.133 4.170 -0.006 0.000 0.256 1425 I C 1.805 177.899 176.117 -0.037 0.000 1.115 1425 I CA 0.475 61.747 61.300 -0.046 0.000 1.446 1425 I CB -0.018 37.943 38.000 -0.065 0.000 1.176 1425 I HN 0.242 nan 8.210 nan 0.000 0.446 1426 L N 0.428 121.635 121.223 -0.028 0.000 2.465 1426 L HA -0.124 4.212 4.340 -0.006 0.000 0.224 1426 L C 1.166 178.027 176.870 -0.016 0.000 1.145 1426 L CA 0.685 55.513 54.840 -0.020 0.000 0.834 1426 L CB -0.535 41.516 42.059 -0.013 0.000 0.944 1426 L HN 0.219 nan 8.230 nan 0.000 0.451 1427 D N -0.298 120.093 120.400 -0.015 0.000 2.355 1427 D HA 0.035 4.671 4.640 -0.006 0.000 0.218 1427 D C 0.833 177.126 176.300 -0.013 0.000 1.004 1427 D CA 0.448 54.442 54.000 -0.011 0.000 0.880 1427 D CB 0.250 41.046 40.800 -0.008 0.000 0.911 1427 D HN 0.223 nan 8.370 nan 0.000 0.528 1428 M N 1.219 120.808 119.600 -0.018 0.000 2.249 1428 M HA 0.198 4.674 4.480 -0.006 0.000 0.351 1428 M C -0.227 176.063 176.300 -0.017 0.000 1.180 1428 M CA -0.485 54.804 55.300 -0.019 0.000 1.127 1428 M CB 0.976 33.560 32.600 -0.027 0.000 1.546 1428 M HN -0.257 nan 8.290 nan 0.000 0.461 1429 R N 4.620 125.112 120.500 -0.014 0.000 2.459 1429 R HA 0.294 4.630 4.340 -0.006 0.000 0.281 1429 R C 0.427 176.718 176.300 -0.014 0.000 1.050 1429 R CA -0.698 55.395 56.100 -0.012 0.000 1.055 1429 R CB 0.426 30.721 30.300 -0.009 0.000 1.045 1429 R HN 0.833 nan 8.270 nan 0.000 0.495 1430 L N 1.960 123.175 121.223 -0.013 0.000 2.376 1430 L HA -0.078 4.259 4.340 -0.006 0.000 0.219 1430 L C 2.114 178.976 176.870 -0.012 0.000 1.133 1430 L CA 1.105 55.936 54.840 -0.014 0.000 0.816 1430 L CB -0.550 41.501 42.059 -0.012 0.000 0.933 1430 L HN 0.648 nan 8.230 nan 0.000 0.449 1431 R N 0.207 120.701 120.500 -0.010 0.000 2.357 1431 R HA -0.044 4.292 4.340 -0.006 0.000 0.202 1431 R C 1.513 177.807 176.300 -0.009 0.000 1.047 1431 R CA 0.475 56.569 56.100 -0.009 0.000 1.034 1431 R CB -0.297 29.999 30.300 -0.006 0.000 0.875 1431 R HN 0.296 nan 8.270 nan 0.000 0.473 1432 R N 0.744 121.237 120.500 -0.012 0.000 2.362 1432 R HA 0.204 4.540 4.340 -0.006 0.000 0.227 1432 R C 0.973 177.263 176.300 -0.016 0.000 0.905 1432 R CA 0.095 56.187 56.100 -0.013 0.000 1.067 1432 R CB 0.306 30.598 30.300 -0.014 0.000 1.078 1432 R HN 0.298 nan 8.270 nan 0.000 0.516 1433 L N 1.820 123.033 121.223 -0.016 0.000 2.627 1433 L HA 0.060 4.396 4.340 -0.006 0.000 0.232 1433 L C 0.796 177.657 176.870 -0.015 0.000 1.150 1433 L CA 0.163 54.993 54.840 -0.018 0.000 0.917 1433 L CB -0.742 41.306 42.059 -0.018 0.000 1.104 1433 L HN 0.090 nan 8.230 nan 0.000 0.445 1434 T N -3.041 111.506 114.554 -0.012 0.000 2.726 1434 T HA 0.221 4.567 4.350 -0.006 0.000 0.294 1434 T C 1.507 176.201 174.700 -0.010 0.000 1.013 1434 T CA -0.029 62.065 62.100 -0.010 0.000 0.996 1434 T CB 1.562 70.425 68.868 -0.008 0.000 1.016 1434 T HN 0.188 nan 8.240 nan 0.000 0.529 1435 G N -0.339 108.456 108.800 -0.009 0.000 2.404 1435 G HA2 -0.055 3.901 3.960 -0.006 0.000 0.215 1435 G HA3 -0.055 3.901 3.960 -0.006 0.000 0.215 1435 G C 1.301 176.197 174.900 -0.008 0.000 1.174 1435 G CA 0.273 45.368 45.100 -0.009 0.000 0.780 1435 G HN 0.542 nan 8.290 nan 0.000 0.537 1436 L N 0.592 121.811 121.223 -0.006 0.000 2.240 1436 L HA 0.123 4.460 4.340 -0.006 0.000 0.211 1436 L C 2.078 178.945 176.870 -0.004 0.000 1.106 1436 L CA 0.869 55.707 54.840 -0.004 0.000 0.793 1436 L CB -0.056 42.001 42.059 -0.003 0.000 0.927 1436 L HN 0.267 nan 8.230 nan 0.000 0.446 1437 E N -0.514 119.682 120.200 -0.006 0.000 2.301 1437 E HA -0.016 4.330 4.350 -0.006 0.000 0.195 1437 E C 1.034 177.628 176.600 -0.010 0.000 1.171 1437 E CA -0.031 56.365 56.400 -0.006 0.000 1.142 1437 E CB 0.104 29.800 29.700 -0.007 0.000 1.218 1437 E HN 0.314 nan 8.360 nan 0.000 0.448 1438 R N -0.287 120.206 120.500 -0.011 0.000 2.404 1438 R HA 0.079 4.415 4.340 -0.006 0.000 0.237 1438 R C 0.759 177.051 176.300 -0.014 0.000 0.907 1438 R CA 0.304 56.393 56.100 -0.017 0.000 1.063 1438 R CB 0.533 30.821 30.300 -0.019 0.000 1.134 1438 R HN -0.011 nan 8.270 nan 0.000 0.529 1439 D N -0.129 120.268 120.400 -0.005 0.000 2.379 1439 D HA 0.081 4.717 4.640 -0.006 0.000 0.218 1439 D C 1.134 177.440 176.300 0.011 0.000 1.006 1439 D CA 0.548 54.549 54.000 0.002 0.000 0.893 1439 D CB 0.333 41.135 40.800 0.003 0.000 1.019 1439 D HN -0.078 nan 8.370 nan 0.000 0.503 1440 K N 0.433 120.838 120.400 0.009 0.000 2.173 1440 K HA -0.145 4.171 4.320 -0.006 0.000 0.207 1440 K C 1.789 178.404 176.600 0.026 0.000 1.046 1440 K CA 0.940 57.235 56.287 0.014 0.000 0.929 1440 K CB -0.057 32.448 32.500 0.009 0.000 0.720 1440 K HN 0.265 nan 8.250 nan 0.000 0.453 1441 I N -0.289 120.294 120.570 0.021 0.000 2.141 1441 I HA -0.201 3.965 4.170 -0.006 0.000 0.236 1441 I C 2.368 178.532 176.117 0.077 0.000 1.071 1441 I CA 1.085 62.406 61.300 0.035 0.000 1.345 1441 I CB -0.456 37.539 38.000 -0.007 0.000 1.066 1441 I HN 0.007 nan 8.210 nan 0.000 0.406 1442 E N 1.464 121.690 120.200 0.043 0.000 2.085 1442 E HA -0.201 4.146 4.350 -0.006 0.000 0.194 1442 E C 2.153 178.830 176.600 0.128 0.000 0.994 1442 E CA 1.663 58.110 56.400 0.079 0.000 0.801 1442 E CB -0.261 29.450 29.700 0.017 0.000 0.743 1442 E HN 0.431 nan 8.360 nan 0.000 0.453 1443 A N 0.976 123.841 122.820 0.075 0.000 1.903 1443 A HA -0.307 4.010 4.320 -0.006 0.000 0.219 1443 A C 2.104 179.729 177.584 0.068 0.000 1.191 1443 A CA 2.297 54.370 52.037 0.060 0.000 0.638 1443 A CB -0.834 18.187 19.000 0.035 0.000 0.823 1443 A HN 0.545 nan 8.150 nan 0.000 0.451 1444 E N -2.615 117.631 120.200 0.076 0.000 2.474 1444 E HA -0.028 4.319 4.350 -0.006 0.000 0.194 1444 E C 1.551 178.209 176.600 0.097 0.000 1.041 1444 E CA 0.206 56.644 56.400 0.063 0.000 0.874 1444 E CB -0.316 29.410 29.700 0.043 0.000 0.914 1444 E HN 0.673 nan 8.360 nan 0.000 0.498 1445 Y N 1.881 122.190 120.300 0.014 0.000 2.109 1445 Y HA -0.125 4.421 4.550 -0.007 0.000 0.285 1445 Y C 1.662 177.579 175.900 0.028 0.000 1.131 1445 Y CA 2.244 60.356 58.100 0.019 0.000 1.121 1445 Y CB -0.341 38.126 38.460 0.011 0.000 0.987 1445 Y HN 0.031 nan 8.280 nan 0.000 0.495 1446 N N 0.607 119.371 118.700 0.107 0.000 2.069 1446 N HA -0.194 4.542 4.740 -0.006 0.000 0.191 1446 N C 1.739 177.237 175.510 -0.019 0.000 1.031 1446 N CA 1.858 54.918 53.050 0.017 0.000 0.852 1446 N CB -0.392 38.147 38.487 0.086 0.000 1.018 1446 N HN 0.487 nan 8.380 nan 0.000 0.423 1447 E N -0.562 119.645 120.200 0.012 0.000 2.219 1447 E HA -0.187 4.159 4.350 -0.006 0.000 0.198 1447 E C 1.459 178.074 176.600 0.026 0.000 0.998 1447 E CA 0.584 56.992 56.400 0.013 0.000 0.818 1447 E CB -0.029 29.674 29.700 0.006 0.000 0.741 1447 E HN 0.185 nan 8.360 nan 0.000 0.477 1448 L N 0.171 121.386 121.223 -0.014 0.000 2.102 1448 L HA -0.056 4.281 4.340 -0.006 0.000 0.202 1448 L C 1.999 178.840 176.870 -0.047 0.000 1.076 1448 L CA 1.159 56.005 54.840 0.011 0.000 0.761 1448 L CB -0.223 41.811 42.059 -0.041 0.000 0.921 1448 L HN 0.110 nan 8.230 nan 0.000 0.444 1449 L N 0.024 121.138 121.223 -0.182 0.000 2.127 1449 L HA -0.248 4.088 4.340 -0.006 0.000 0.211 1449 L C 2.318 179.146 176.870 -0.069 0.000 1.089 1449 L CA 1.590 56.330 54.840 -0.167 0.000 0.757 1449 L CB -0.868 41.059 42.059 -0.220 0.000 0.899 1449 L HN 0.507 nan 8.230 nan 0.000 0.434 1450 N N -0.194 118.492 118.700 -0.022 0.000 2.300 1450 N HA -0.229 4.508 4.740 -0.006 0.000 0.179 1450 N C 2.021 177.573 175.510 0.071 0.000 1.016 1450 N CA 0.909 53.969 53.050 0.018 0.000 0.876 1450 N CB 0.011 38.514 38.487 0.027 0.000 0.979 1450 N HN 0.301 nan 8.380 nan 0.000 0.432 1451 Y N 1.830 122.101 120.300 -0.048 0.000 2.263 1451 Y HA 0.087 4.633 4.550 -0.007 0.000 0.292 1451 Y C 2.251 178.129 175.900 -0.037 0.000 1.130 1451 Y CA 0.782 58.860 58.100 -0.036 0.000 1.179 1451 Y CB -0.464 37.976 38.460 -0.033 0.000 0.998 1451 Y HN -0.005 nan 8.280 nan 0.000 0.532 1452 I N -1.039 119.415 120.570 -0.193 0.000 2.163 1452 I HA -0.384 3.782 4.170 -0.006 0.000 0.243 1452 I C 2.751 178.747 176.117 -0.202 0.000 1.085 1452 I CA 1.717 62.860 61.300 -0.262 0.000 1.347 1452 I CB -0.744 37.165 38.000 -0.151 0.000 1.044 1452 I HN 0.194 nan 8.210 nan 0.000 0.408 1453 S N 0.598 116.231 115.700 -0.112 0.000 2.369 1453 S HA -0.306 4.161 4.470 -0.006 0.000 0.225 1453 S C 1.859 176.413 174.600 -0.077 0.000 1.043 1453 S CA 2.056 60.212 58.200 -0.073 0.000 1.074 1453 S CB -0.334 62.845 63.200 -0.034 0.000 0.962 1453 S HN 0.435 nan 8.310 nan 0.000 0.433 1454 E N 0.082 120.245 120.200 -0.062 0.000 2.273 1454 E HA -0.164 4.182 4.350 -0.006 0.000 0.198 1454 E C 1.864 178.419 176.600 -0.075 0.000 1.002 1454 E CA 1.331 57.711 56.400 -0.033 0.000 0.828 1454 E CB -0.207 29.525 29.700 0.054 0.000 0.747 1454 E HN 0.583 nan 8.360 nan 0.000 0.491 1455 L N -0.560 120.568 121.223 -0.158 0.000 2.316 1455 L HA 0.044 4.381 4.340 -0.006 0.000 0.207 1455 L C 1.996 178.805 176.870 -0.103 0.000 1.070 1455 L CA 0.454 55.203 54.840 -0.152 0.000 0.820 1455 L CB -0.246 41.660 42.059 -0.254 0.000 0.992 1455 L HN -0.086 nan 8.230 nan 0.000 0.466 1456 E N 0.453 120.591 120.200 -0.102 0.000 2.153 1456 E HA -0.149 4.197 4.350 -0.006 0.000 0.194 1456 E C 2.046 178.614 176.600 -0.053 0.000 0.988 1456 E CA 1.625 57.981 56.400 -0.073 0.000 0.811 1456 E CB -0.178 29.481 29.700 -0.069 0.000 0.746 1456 E HN 0.369 nan 8.360 nan 0.000 0.466 1457 T N 1.365 115.889 114.554 -0.050 0.000 2.674 1457 T HA -0.132 4.215 4.350 -0.006 0.000 0.265 1457 T C 1.906 176.587 174.700 -0.032 0.000 1.039 1457 T CA 0.928 63.007 62.100 -0.035 0.000 1.150 1457 T CB -0.207 68.644 68.868 -0.028 0.000 0.864 1457 T HN 0.132 nan 8.240 nan 0.000 0.427 1458 I N 0.673 121.223 120.570 -0.034 0.000 2.315 1458 I HA -0.157 4.009 4.170 -0.006 0.000 0.251 1458 I C 2.123 178.221 176.117 -0.031 0.000 1.125 1458 I CA 1.307 62.591 61.300 -0.028 0.000 1.392 1458 I CB -0.354 37.630 38.000 -0.026 0.000 1.065 1458 I HN 0.243 nan 8.210 nan 0.000 0.424 1459 L N -0.112 121.089 121.223 -0.037 0.000 2.249 1459 L HA 0.014 4.350 4.340 -0.006 0.000 0.207 1459 L C 2.649 179.500 176.870 -0.032 0.000 1.090 1459 L CA 0.709 55.528 54.840 -0.036 0.000 0.802 1459 L CB -0.356 41.679 42.059 -0.041 0.000 0.947 1459 L HN 0.150 nan 8.230 nan 0.000 0.453 1460 A N -1.637 121.165 122.820 -0.031 0.000 1.975 1460 A HA -0.078 4.238 4.320 -0.006 0.000 0.215 1460 A C 0.901 178.470 177.584 -0.024 0.000 1.170 1460 A CA 0.509 52.530 52.037 -0.027 0.000 0.656 1460 A CB -0.057 18.927 19.000 -0.027 0.000 0.821 1460 A HN 0.225 nan 8.150 nan 0.000 0.449 1461 D N -0.142 120.244 120.400 -0.023 0.000 2.329 1461 D HA 0.212 4.848 4.640 -0.006 0.000 0.232 1461 D C 0.237 176.523 176.300 -0.022 0.000 1.088 1461 D CA -0.276 53.712 54.000 -0.021 0.000 0.835 1461 D CB 0.972 41.761 40.800 -0.018 0.000 1.078 1461 D HN 0.060 nan 8.370 nan 0.000 0.495 1462 E N 2.764 122.950 120.200 -0.023 0.000 2.118 1462 E HA -0.220 4.126 4.350 -0.006 0.000 0.195 1462 E C 1.373 177.959 176.600 -0.024 0.000 0.992 1462 E CA 1.026 57.410 56.400 -0.025 0.000 0.804 1462 E CB 0.201 29.885 29.700 -0.026 0.000 0.741 1462 E HN 0.646 nan 8.360 nan 0.000 0.458 1463 E N 0.507 120.695 120.200 -0.020 0.000 2.112 1463 E HA -0.067 4.279 4.350 -0.006 0.000 0.190 1463 E C 2.059 178.650 176.600 -0.015 0.000 0.979 1463 E CA 0.613 57.002 56.400 -0.018 0.000 0.814 1463 E CB -0.115 29.576 29.700 -0.015 0.000 0.762 1463 E HN -0.028 nan 8.360 nan 0.000 0.460 1464 V N 1.412 121.317 119.914 -0.015 0.000 2.282 1464 V HA -0.288 3.829 4.120 -0.006 0.000 0.249 1464 V C 2.466 178.552 176.094 -0.013 0.000 1.057 1464 V CA 2.047 64.339 62.300 -0.012 0.000 1.032 1464 V CB -0.609 31.206 31.823 -0.013 0.000 0.645 1464 V HN 0.420 nan 8.190 nan 0.000 0.447 1465 L N -0.728 120.484 121.223 -0.018 0.000 1.961 1465 L HA -0.186 4.151 4.340 -0.006 0.000 0.210 1465 L C 2.430 179.287 176.870 -0.021 0.000 1.072 1465 L CA 1.989 56.816 54.840 -0.020 0.000 0.749 1465 L CB -0.374 41.668 42.059 -0.028 0.000 0.889 1465 L HN 0.319 nan 8.230 nan 0.000 0.432 1466 L N 0.186 121.394 121.223 -0.025 0.000 2.137 1466 L HA -0.305 4.031 4.340 -0.006 0.000 0.213 1466 L C 2.499 179.359 176.870 -0.016 0.000 1.085 1466 L CA 2.211 57.035 54.840 -0.025 0.000 0.760 1466 L CB -0.500 41.544 42.059 -0.026 0.000 0.893 1466 L HN 0.520 nan 8.230 nan 0.000 0.434 1467 Q N -0.592 119.201 119.800 -0.012 0.000 2.046 1467 Q HA -0.214 4.123 4.340 -0.006 0.000 0.200 1467 Q C 2.121 178.120 176.000 -0.001 0.000 0.975 1467 Q CA 2.188 57.988 55.803 -0.006 0.000 0.836 1467 Q CB -0.639 28.096 28.738 -0.004 0.000 0.896 1467 Q HN 0.569 nan 8.270 nan 0.000 0.428 1468 L N -0.378 120.844 121.223 -0.002 0.000 2.043 1468 L HA -0.148 4.188 4.340 -0.006 0.000 0.212 1468 L C 2.040 178.912 176.870 0.004 0.000 1.075 1468 L CA 1.845 56.688 54.840 0.004 0.000 0.752 1468 L CB -0.855 41.206 42.059 0.004 0.000 0.891 1468 L HN 0.167 nan 8.230 nan 0.000 0.432 1469 V N 0.033 119.943 119.914 -0.006 0.000 2.343 1469 V HA -0.285 3.832 4.120 -0.006 0.000 0.247 1469 V C 2.813 178.911 176.094 0.007 0.000 1.051 1469 V CA 2.149 64.444 62.300 -0.008 0.000 1.036 1469 V CB -0.646 31.160 31.823 -0.029 0.000 0.654 1469 V HN 0.504 nan 8.190 nan 0.000 0.451 1470 R N 0.119 120.623 120.500 0.006 0.000 2.115 1470 R HA -0.250 4.087 4.340 -0.006 0.000 0.239 1470 R C 1.996 178.309 176.300 0.020 0.000 1.133 1470 R CA 2.444 58.552 56.100 0.014 0.000 0.935 1470 R CB -0.580 29.724 30.300 0.008 0.000 0.853 1470 R HN 0.575 nan 8.270 nan 0.000 0.433 1471 D N -0.227 120.183 120.400 0.016 0.000 2.309 1471 D HA -0.109 4.528 4.640 -0.006 0.000 0.212 1471 D C 1.515 177.830 176.300 0.026 0.000 0.968 1471 D CA 0.897 54.908 54.000 0.018 0.000 0.882 1471 D CB 0.089 40.897 40.800 0.014 0.000 0.918 1471 D HN 0.358 nan 8.370 nan 0.000 0.503 1472 E N -0.179 120.040 120.200 0.031 0.000 2.170 1472 E HA 0.019 4.365 4.350 -0.006 0.000 0.191 1472 E C 1.967 178.603 176.600 0.061 0.000 0.981 1472 E CA 0.264 56.689 56.400 0.043 0.000 0.830 1472 E CB 0.139 29.862 29.700 0.038 0.000 0.775 1472 E HN 0.339 nan 8.360 nan 0.000 0.470 1473 L N 0.745 122.006 121.223 0.063 0.000 2.217 1473 L HA -0.091 4.245 4.340 -0.006 0.000 0.211 1473 L C 2.390 179.300 176.870 0.067 0.000 1.107 1473 L CA 0.924 55.815 54.840 0.085 0.000 0.783 1473 L CB -0.334 41.781 42.059 0.094 0.000 0.919 1473 L HN 0.092 nan 8.230 nan 0.000 0.442 1474 T N -1.348 113.233 114.554 0.046 0.000 2.770 1474 T HA -0.155 4.191 4.350 -0.006 0.000 0.263 1474 T C 1.815 176.532 174.700 0.028 0.000 1.039 1474 T CA 0.804 62.922 62.100 0.031 0.000 1.142 1474 T CB -0.118 68.762 68.868 0.020 0.000 0.868 1474 T HN 0.211 nan 8.240 nan 0.000 0.435 1475 E N 1.095 121.313 120.200 0.030 0.000 2.114 1475 E HA -0.150 4.196 4.350 -0.006 0.000 0.199 1475 E C 2.056 178.675 176.600 0.031 0.000 1.008 1475 E CA 1.237 57.651 56.400 0.023 0.000 0.810 1475 E CB -0.332 29.387 29.700 0.032 0.000 0.739 1475 E HN 0.506 nan 8.360 nan 0.000 0.456 1476 I N 0.080 120.696 120.570 0.077 0.000 2.617 1476 I HA -0.158 4.008 4.170 -0.006 0.000 0.256 1476 I C 2.765 178.956 176.117 0.123 0.000 1.167 1476 I CA 0.444 61.833 61.300 0.149 0.000 1.469 1476 I CB -0.159 37.944 38.000 0.172 0.000 1.098 1476 I HN 0.007 nan 8.210 nan 0.000 0.436 1477 R N 0.879 121.414 120.500 0.059 0.000 2.115 1477 R HA -0.147 4.190 4.340 -0.006 0.000 0.226 1477 R C 1.384 177.686 176.300 0.003 0.000 1.100 1477 R CA 1.484 57.602 56.100 0.031 0.000 0.980 1477 R CB -0.015 30.298 30.300 0.023 0.000 0.875 1477 R HN 0.311 nan 8.270 nan 0.000 0.445 1478 D N -0.200 120.189 120.400 -0.019 0.000 2.194 1478 D HA -0.088 4.548 4.640 -0.006 0.000 0.204 1478 D C 1.848 178.081 176.300 -0.111 0.000 0.964 1478 D CA 0.725 54.696 54.000 -0.049 0.000 0.846 1478 D CB -0.081 40.693 40.800 -0.043 0.000 0.962 1478 D HN 0.195 nan 8.370 nan 0.000 0.490 1479 R N -0.435 119.955 120.500 -0.182 0.000 2.055 1479 R HA 0.011 4.347 4.340 -0.006 0.000 0.228 1479 R C 1.293 177.275 176.300 -0.529 0.000 1.143 1479 R CA 1.001 56.842 56.100 -0.432 0.000 0.945 1479 R CB -0.054 29.862 30.300 -0.640 0.000 0.841 1479 R HN 0.103 nan 8.270 nan 0.000 0.429 1480 F N -0.229 119.654 119.950 -0.112 0.000 2.641 1480 F HA 0.330 4.853 4.527 -0.006 0.000 0.302 1480 F C 0.960 176.687 175.800 -0.121 0.000 1.098 1480 F CA -0.351 57.557 58.000 -0.152 0.000 1.318 1480 F CB 0.433 39.253 39.000 -0.299 0.000 1.035 1480 F HN -0.002 nan 8.300 nan 0.000 0.551 1481 G N 1.512 110.330 108.800 0.029 0.000 2.361 1481 G HA2 0.402 4.358 3.960 -0.006 0.000 0.260 1481 G HA3 0.402 4.358 3.960 -0.006 0.000 0.260 1481 G C -0.720 174.208 174.900 0.047 0.000 1.261 1481 G CA -0.163 44.956 45.100 0.031 0.000 0.897 1481 G HN 0.249 nan 8.290 nan 0.000 0.499 1482 D N 1.242 121.691 120.400 0.082 0.000 2.602 1482 D HA 0.234 4.870 4.640 -0.006 0.000 0.236 1482 D C -0.948 175.392 176.300 0.067 0.000 1.209 1482 D CA -0.753 53.294 54.000 0.078 0.000 0.831 1482 D CB 0.966 41.834 40.800 0.113 0.000 1.478 1482 D HN 0.202 nan 8.370 nan 0.000 0.438 1483 D N 0.183 120.607 120.400 0.040 0.000 2.364 1483 D HA 0.094 4.730 4.640 -0.006 0.000 0.236 1483 D C 0.651 176.964 176.300 0.022 0.000 1.221 1483 D CA 0.180 54.196 54.000 0.026 0.000 0.891 1483 D CB 0.669 41.479 40.800 0.017 0.000 1.190 1483 D HN 0.344 nan 8.370 nan 0.000 0.449 1484 R N 0.544 121.051 120.500 0.013 0.000 2.615 1484 R HA 0.176 4.513 4.340 -0.006 0.000 0.270 1484 R C 0.770 177.067 176.300 -0.005 0.000 1.081 1484 R CA -0.189 55.910 56.100 -0.001 0.000 1.154 1484 R CB 0.658 30.958 30.300 0.001 0.000 1.063 1484 R HN 0.354 nan 8.270 nan 0.000 0.519 1485 R N 0.909 121.400 120.500 -0.016 0.000 2.197 1485 R HA 0.127 4.463 4.340 -0.006 0.000 0.188 1485 R C 0.172 176.480 176.300 0.014 0.000 1.015 1485 R CA 0.296 56.394 56.100 -0.003 0.000 1.132 1485 R CB -0.406 29.887 30.300 -0.012 0.000 1.134 1485 R HN 0.534 nan 8.270 nan 0.000 0.560 1486 T N 2.925 117.491 114.554 0.020 0.000 2.870 1486 T HA 0.113 4.460 4.350 -0.006 0.000 0.300 1486 T C -0.006 174.713 174.700 0.031 0.000 0.989 1486 T CA 0.248 62.380 62.100 0.054 0.000 1.139 1486 T CB 1.429 70.373 68.868 0.125 0.000 0.920 1486 T HN 0.087 nan 8.240 nan 0.000 0.537 1487 E N 2.240 122.458 120.200 0.030 0.000 2.250 1487 E HA 0.439 4.785 4.350 -0.006 0.000 0.269 1487 E C -0.574 176.039 176.600 0.022 0.000 1.018 1487 E CA -0.663 55.749 56.400 0.020 0.000 0.873 1487 E CB 0.705 30.414 29.700 0.014 0.000 1.134 1487 E HN 0.515 nan 8.360 nan 0.000 0.403 1488 I N 4.353 124.934 120.570 0.018 0.000 2.555 1488 I HA 0.119 4.286 4.170 -0.006 0.000 0.275 1488 I C -0.298 175.826 176.117 0.012 0.000 1.082 1488 I CA -0.629 60.683 61.300 0.019 0.000 1.167 1488 I CB 0.965 38.981 38.000 0.026 0.000 1.312 1488 I HN 0.398 nan 8.210 nan 0.000 0.493 1489 Q N 5.240 125.042 119.800 0.004 0.000 2.263 1489 Q HA 0.208 4.544 4.340 -0.006 0.000 0.289 1489 Q C -0.225 175.775 176.000 0.001 0.000 1.061 1489 Q CA 0.365 56.167 55.803 -0.002 0.000 0.927 1489 Q CB 1.545 30.274 28.738 -0.016 0.000 1.154 1489 Q HN 0.568 nan 8.270 nan 0.000 0.378 1490 L N 1.653 122.878 121.223 0.003 0.000 2.397 1490 L HA 0.567 4.904 4.340 -0.006 0.000 0.271 1490 L C 0.776 177.648 176.870 0.003 0.000 1.148 1490 L CA -0.028 54.816 54.840 0.006 0.000 0.825 1490 L CB 0.914 42.978 42.059 0.008 0.000 1.117 1490 L HN 0.777 nan 8.230 nan 0.000 0.456 1491 G N 0.000 108.804 108.800 0.006 0.000 5.446 1491 G HA2 0.000 3.956 3.960 -0.006 0.000 0.244 1491 G HA3 0.000 3.956 3.960 -0.006 0.000 0.244 1491 G CA 0.000 45.102 45.100 0.004 0.000 0.502 1491 G HN 0.000 nan 8.290 nan 0.000 0.925