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 2xco_1_A DATA FIRST_RESID 413 DATA SEQUENCE SLPGKLADCS SKSPEECEIF LVEGDSAGGS TKSGRDSRTQ AILPLRGKIL DATA SEQUENCE NXXXXXLDRI LNNNEIRQMI TAFGTGXXXX XXLAKARYHK IVIMTDADVD DATA SEQUENCE GAHIRTLLLT FFYRFMRPLI EAGYVYIAQP PLYKLTQXKQ KYYVYNDREL DATA SEQUENCE DKLKSEXXXX XXXSIARYKG LGEMNADQLW ETTMNPEHRA LLQVKXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXMSVIVA RALPDVRDGL KPVHRRILYG LNEQGMTPDK DATA SEQUENCE SYKKSARIVG DVMGKYHPHG DSSIYEAMVR MAQDFSYRYP LVDGQGNFGS DATA SEQUENCE MDGDGAAAMR YTEARMTKIT LELLRDINKD TIDFIDNYDG NEREPSVLPA DATA SEQUENCE RFPNLLANGA SGXXXGMATN IPPHNLTELI NGVLSLSKNP DISIAELMED DATA SEQUENCE IEGPDFPTAG LILGKSGIRR AYETGRGSIQ MRSRAVIEER GGGRQRIVVT DATA SEQUENCE EIPFQVNKAR MIEKIAELVR DKKIDGITDL RDETSLRTGV RVVIDVRKDA DATA SEQUENCE NASVILNNLY KQTPLQTSFG VNMIALVNGR PKLINLKEAL VHYLEHQKTV DATA SEQUENCE VRRRTQYNLR KAKDRAHILE GLRIALDHID EIISTIRESD TDKVAMESLQ DATA SEQUENCE QRFKLSEKQA QAILDMRLRR LTGLERDKIE AEYNELLNYI SELETILADE DATA SEQUENCE EVLLQLVRDE LTEIRDRFGD DRRTEIQLG 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 413 S HA 0.000 nan 4.470 nan 0.000 0.327 413 S C 0.000 174.633 174.600 0.054 0.000 1.055 413 S CA 0.000 58.248 58.200 0.079 0.000 1.107 413 S CB 0.000 63.238 63.200 0.063 0.000 0.593 414 L N 3.027 124.280 121.223 0.050 0.000 2.513 414 L HA 0.193 4.533 4.340 0.000 0.000 0.272 414 L C -1.469 175.420 176.870 0.030 0.000 1.187 414 L CA -1.106 53.751 54.840 0.027 0.000 0.895 414 L CB 0.220 42.286 42.059 0.013 0.000 1.147 414 L HN 0.292 nan 8.230 nan 0.000 0.483 415 P HA -0.042 nan 4.420 nan 0.000 0.211 415 P C 1.423 178.733 177.300 0.015 0.000 1.191 415 P CA 0.880 63.992 63.100 0.020 0.000 0.909 415 P CB 0.162 31.871 31.700 0.014 0.000 0.770 416 G N -0.734 108.071 108.800 0.008 0.000 2.422 416 G HA2 -0.202 3.758 3.960 0.000 0.000 0.218 416 G HA3 -0.202 3.758 3.960 0.000 0.000 0.218 416 G C 1.758 176.659 174.900 0.003 0.000 1.140 416 G CA 1.495 46.597 45.100 0.004 0.000 0.775 416 G HN 0.412 nan 8.290 nan 0.000 0.545 417 K N -0.107 120.294 120.400 0.002 0.000 2.128 417 K HA 0.496 4.816 4.320 0.000 0.000 0.202 417 K C 1.188 177.792 176.600 0.006 0.000 1.050 417 K CA 0.629 56.914 56.287 -0.002 0.000 0.966 417 K CB -0.416 32.076 32.500 -0.013 0.000 0.759 417 K HN 0.438 nan 8.250 nan 0.000 0.454 418 L N 0.639 121.872 121.223 0.017 0.000 2.307 418 L HA 0.700 5.040 4.340 0.000 0.000 0.282 418 L C -0.137 176.757 176.870 0.039 0.000 1.051 418 L CA -0.888 53.971 54.840 0.031 0.000 0.804 418 L CB 1.905 43.994 42.059 0.050 0.000 1.197 418 L HN 0.246 nan 8.230 nan 0.000 0.431 419 A N 3.513 126.357 122.820 0.040 0.000 2.276 419 A HA 0.494 4.814 4.320 0.000 0.000 0.300 419 A C -0.842 176.782 177.584 0.066 0.000 1.235 419 A CA -0.626 51.435 52.037 0.040 0.000 0.867 419 A CB -0.074 18.941 19.000 0.026 0.000 1.137 419 A HN 0.864 nan 8.150 nan 0.000 0.527 420 D N 0.887 121.330 120.400 0.072 0.000 2.340 420 D HA 0.530 5.170 4.640 0.000 0.000 0.251 420 D C 0.229 176.585 176.300 0.095 0.000 1.080 420 D CA -0.339 53.725 54.000 0.106 0.000 0.971 420 D CB 0.951 41.807 40.800 0.094 0.000 1.137 420 D HN 0.708 nan 8.370 nan 0.000 0.475 421 C N -0.767 118.609 119.300 0.127 0.000 2.486 421 C HA 0.670 5.130 4.460 0.000 0.000 0.348 421 C C 1.820 176.859 174.990 0.080 0.000 1.203 421 C CA -0.304 58.775 59.018 0.102 0.000 1.911 421 C CB 1.104 28.925 27.740 0.136 0.000 2.340 421 C HN 0.746 nan 8.230 nan 0.000 0.511 422 S N 1.374 117.107 115.700 0.055 0.000 2.345 422 S HA -0.082 4.388 4.470 0.000 0.000 0.220 422 S C 1.120 175.746 174.600 0.043 0.000 1.031 422 S CA 1.279 59.503 58.200 0.040 0.000 0.996 422 S CB -0.985 62.229 63.200 0.024 0.000 0.882 422 S HN 1.275 nan 8.310 nan 0.000 0.445 423 S N 1.233 116.962 115.700 0.049 0.000 2.554 423 S HA 0.090 4.560 4.470 0.000 0.000 0.290 423 S C 0.629 175.255 174.600 0.044 0.000 1.309 423 S CA -0.096 58.131 58.200 0.044 0.000 1.047 423 S CB 0.248 63.478 63.200 0.051 0.000 0.828 423 S HN 0.447 nan 8.310 nan 0.000 0.509 424 K N 1.305 121.721 120.400 0.026 0.000 2.477 424 K HA 0.110 4.430 4.320 0.000 0.000 0.208 424 K C -0.109 176.493 176.600 0.003 0.000 1.117 424 K CA 0.070 56.365 56.287 0.012 0.000 1.039 424 K CB 0.655 33.161 32.500 0.010 0.000 0.937 424 K HN 0.683 nan 8.250 nan 0.000 0.570 425 S N 1.378 117.083 115.700 0.009 0.000 2.404 425 S HA 0.295 4.765 4.470 0.000 0.000 0.309 425 S C -2.187 172.421 174.600 0.014 0.000 1.076 425 S CA -1.231 56.973 58.200 0.007 0.000 1.095 425 S CB 1.594 64.792 63.200 -0.004 0.000 0.972 425 S HN -0.182 nan 8.310 nan 0.000 0.484 426 P HA -0.260 nan 4.420 nan 0.000 0.218 426 P C 1.287 178.685 177.300 0.164 0.000 1.147 426 P CA 1.666 64.852 63.100 0.144 0.000 0.827 426 P CB -0.011 31.826 31.700 0.227 0.000 0.778 427 E N -0.172 119.936 120.200 -0.153 0.000 2.077 427 E HA -0.207 4.143 4.350 0.000 0.000 0.193 427 E C 1.857 178.332 176.600 -0.210 0.000 0.989 427 E CA 1.101 57.214 56.400 -0.479 0.000 0.800 427 E CB -0.925 28.567 29.700 -0.348 0.000 0.746 427 E HN 0.322 nan 8.360 nan 0.000 0.452 428 E N 0.400 120.551 120.200 -0.081 0.000 2.076 428 E HA -0.013 4.337 4.350 0.000 0.000 0.190 428 E C 0.486 177.105 176.600 0.032 0.000 0.979 428 E CA 0.471 56.856 56.400 -0.025 0.000 0.807 428 E CB 0.047 29.747 29.700 0.001 0.000 0.761 428 E HN 0.218 nan 8.360 nan 0.000 0.454 429 C N 2.308 121.661 119.300 0.089 0.000 2.689 429 C HA 0.111 4.571 4.460 0.000 0.000 0.409 429 C C 0.301 175.420 174.990 0.214 0.000 1.293 429 C CA -0.281 58.859 59.018 0.204 0.000 2.136 429 C CB -0.607 27.317 27.740 0.307 0.000 2.719 429 C HN 0.336 nan 8.230 nan 0.000 0.644 430 E N 1.693 122.010 120.200 0.196 0.000 2.304 430 E HA 0.592 4.942 4.350 0.000 0.000 0.277 430 E C -1.473 175.052 176.600 -0.125 0.000 0.898 430 E CA -0.569 55.836 56.400 0.009 0.000 0.764 430 E CB 1.704 31.349 29.700 -0.093 0.000 1.216 430 E HN 0.676 nan 8.360 nan 0.000 0.419 431 I N 3.038 123.401 120.570 -0.345 0.000 2.378 431 I HA 0.401 4.571 4.170 0.000 0.000 0.291 431 I C -1.515 174.456 176.117 -0.243 0.000 0.992 431 I CA -1.052 60.016 61.300 -0.387 0.000 1.154 431 I CB 0.594 38.156 38.000 -0.730 0.000 1.315 431 I HN 0.492 nan 8.210 nan 0.000 0.448 432 F N 7.456 127.374 119.950 -0.054 0.000 2.405 432 F HA 0.393 4.921 4.527 0.000 0.000 0.355 432 F C -0.196 175.624 175.800 0.034 0.000 1.121 432 F CA -0.527 57.480 58.000 0.011 0.000 1.112 432 F CB 1.171 40.181 39.000 0.018 0.000 1.126 432 F HN 0.216 nan 8.300 nan 0.000 0.481 433 L N 5.792 127.133 121.223 0.197 0.000 2.282 433 L HA 0.510 4.850 4.340 0.000 0.000 0.287 433 L C -0.176 176.786 176.870 0.154 0.000 1.075 433 L CA -0.773 54.166 54.840 0.165 0.000 0.839 433 L CB 0.268 42.441 42.059 0.189 0.000 1.219 433 L HN 0.449 nan 8.230 nan 0.000 0.434 434 V N -0.094 119.895 119.914 0.126 0.000 2.919 434 V HA 0.498 4.618 4.120 0.000 0.000 0.316 434 V C -0.151 175.981 176.094 0.063 0.000 1.077 434 V CA -0.928 61.431 62.300 0.099 0.000 0.977 434 V CB 2.004 33.879 31.823 0.086 0.000 1.039 434 V HN 0.745 nan 8.190 nan 0.000 0.441 435 E N 1.906 122.138 120.200 0.053 0.000 2.257 435 E HA 0.334 4.684 4.350 0.000 0.000 0.278 435 E C 1.362 177.976 176.600 0.023 0.000 1.049 435 E CA 0.512 56.933 56.400 0.035 0.000 0.876 435 E CB 1.196 30.917 29.700 0.035 0.000 1.035 435 E HN 1.028 nan 8.360 nan 0.000 0.419 436 G N 5.305 114.113 108.800 0.013 0.000 2.681 436 G HA2 -0.369 3.591 3.960 0.000 0.000 0.220 436 G HA3 -0.369 3.591 3.960 0.000 0.000 0.220 436 G C 0.948 175.851 174.900 0.005 0.000 1.210 436 G CA 1.238 46.342 45.100 0.007 0.000 0.783 436 G HN 0.664 nan 8.290 nan 0.000 0.609 437 D N -0.158 120.244 120.400 0.003 0.000 2.097 437 D HA -0.075 4.565 4.640 0.000 0.000 0.197 437 D C 2.709 179.012 176.300 0.005 0.000 0.984 437 D CA 1.239 55.240 54.000 0.001 0.000 0.826 437 D CB -0.589 40.210 40.800 -0.003 0.000 0.973 437 D HN 0.284 nan 8.370 nan 0.000 0.460 438 S N 0.039 115.746 115.700 0.011 0.000 2.401 438 S HA -0.220 4.250 4.470 0.000 0.000 0.236 438 S C 1.268 175.878 174.600 0.016 0.000 1.058 438 S CA 2.405 60.614 58.200 0.016 0.000 1.151 438 S CB -0.008 63.208 63.200 0.026 0.000 1.049 438 S HN 0.329 nan 8.310 nan 0.000 0.432 439 A N -1.142 121.688 122.820 0.017 0.000 2.816 439 A HA 0.594 4.914 4.320 0.000 0.000 0.208 439 A C 1.054 178.643 177.584 0.009 0.000 0.896 439 A CA 0.551 52.596 52.037 0.012 0.000 1.183 439 A CB -0.480 18.529 19.000 0.014 0.000 1.249 439 A HN 0.557 nan 8.150 nan 0.000 0.484 440 G N 0.720 109.525 108.800 0.008 0.000 2.453 440 G HA2 0.071 4.031 3.960 0.000 0.000 0.215 440 G HA3 0.071 4.031 3.960 0.000 0.000 0.215 440 G C 1.469 176.367 174.900 -0.002 0.000 1.201 440 G CA 1.575 46.678 45.100 0.006 0.000 0.784 440 G HN 0.917 nan 8.290 nan 0.000 0.545 441 G N 0.763 109.561 108.800 -0.004 0.000 2.414 441 G HA2 -0.168 3.792 3.960 0.000 0.000 0.215 441 G HA3 -0.168 3.792 3.960 0.000 0.000 0.215 441 G C 2.259 177.151 174.900 -0.013 0.000 1.188 441 G CA 2.071 47.166 45.100 -0.009 0.000 0.783 441 G HN 0.758 nan 8.290 nan 0.000 0.537 442 S N -0.467 115.228 115.700 -0.009 0.000 2.423 442 S HA -0.078 4.392 4.470 0.000 0.000 0.231 442 S C 2.165 176.753 174.600 -0.020 0.000 1.014 442 S CA 1.977 60.172 58.200 -0.008 0.000 0.965 442 S CB -0.570 62.632 63.200 0.003 0.000 0.785 442 S HN 0.220 nan 8.310 nan 0.000 0.495 443 T N 1.643 116.180 114.554 -0.028 0.000 2.904 443 T HA 0.113 4.463 4.350 0.000 0.000 0.267 443 T C 1.630 176.286 174.700 -0.072 0.000 1.059 443 T CA 1.025 63.089 62.100 -0.061 0.000 1.137 443 T CB -0.183 68.653 68.868 -0.053 0.000 0.879 443 T HN 0.505 nan 8.240 nan 0.000 0.467 444 K N 0.559 120.932 120.400 -0.044 0.000 2.296 444 K HA 0.086 4.406 4.320 0.000 0.000 0.200 444 K C 2.477 179.043 176.600 -0.057 0.000 1.048 444 K CA 0.658 56.919 56.287 -0.042 0.000 0.966 444 K CB 0.002 32.487 32.500 -0.024 0.000 0.754 444 K HN 0.123 nan 8.250 nan 0.000 0.466 445 S N -0.145 115.522 115.700 -0.056 0.000 2.387 445 S HA -0.005 4.465 4.470 0.000 0.000 0.221 445 S C 1.990 176.528 174.600 -0.104 0.000 1.041 445 S CA 0.893 59.052 58.200 -0.067 0.000 0.959 445 S CB -0.045 63.129 63.200 -0.044 0.000 0.843 445 S HN 0.387 nan 8.310 nan 0.000 0.488 446 G N 2.276 111.030 108.800 -0.076 0.000 2.572 446 G HA2 0.021 3.981 3.960 0.000 0.000 0.216 446 G HA3 0.021 3.981 3.960 0.000 0.000 0.216 446 G C 0.666 175.453 174.900 -0.188 0.000 1.133 446 G CA -0.103 44.951 45.100 -0.076 0.000 0.791 446 G HN 0.722 nan 8.290 nan 0.000 0.538 447 R N 0.133 120.545 120.500 -0.147 0.000 2.861 447 R HA 0.199 4.539 4.340 0.000 0.000 0.268 447 R C -0.723 175.370 176.300 -0.346 0.000 1.027 447 R CA -0.121 55.895 56.100 -0.140 0.000 1.163 447 R CB 0.398 30.637 30.300 -0.102 0.000 1.060 447 R HN -0.080 nan 8.270 nan 0.000 0.483 448 D N 0.753 121.021 120.400 -0.220 0.000 2.499 448 D HA 0.031 4.671 4.640 0.000 0.000 0.225 448 D C 0.416 176.682 176.300 -0.058 0.000 1.124 448 D CA -0.273 53.593 54.000 -0.223 0.000 0.938 448 D CB 0.738 41.499 40.800 -0.065 0.000 1.014 448 D HN 0.659 nan 8.370 nan 0.000 0.517 449 S N 2.985 118.637 115.700 -0.080 0.000 2.537 449 S HA -0.140 4.330 4.470 0.000 0.000 0.240 449 S C 1.566 176.173 174.600 0.011 0.000 0.981 449 S CA 0.394 58.582 58.200 -0.020 0.000 0.948 449 S CB -0.069 63.110 63.200 -0.035 0.000 0.759 449 S HN 0.446 nan 8.310 nan 0.000 0.531 450 R N 1.015 121.517 120.500 0.003 0.000 2.153 450 R HA 0.028 4.368 4.340 0.000 0.000 0.218 450 R C 1.697 178.029 176.300 0.054 0.000 1.072 450 R CA 1.553 57.666 56.100 0.021 0.000 0.990 450 R CB -0.292 30.013 30.300 0.008 0.000 0.889 450 R HN 0.759 nan 8.270 nan 0.000 0.452 451 T N -4.378 110.222 114.554 0.077 0.000 3.130 451 T HA 0.167 4.517 4.350 0.000 0.000 0.288 451 T C 0.295 175.091 174.700 0.159 0.000 0.936 451 T CA -0.420 61.747 62.100 0.112 0.000 0.897 451 T CB 0.572 69.499 68.868 0.099 0.000 1.178 451 T HN -0.081 nan 8.240 nan 0.000 0.543 452 Q N 1.174 121.066 119.800 0.153 0.000 2.341 452 Q HA 0.759 5.099 4.340 0.000 0.000 0.268 452 Q C -1.186 174.904 176.000 0.151 0.000 1.013 452 Q CA -0.616 55.309 55.803 0.202 0.000 0.798 452 Q CB 2.014 30.894 28.738 0.238 0.000 1.253 452 Q HN 0.537 nan 8.270 nan 0.000 0.457 453 A N 3.457 126.364 122.820 0.145 0.000 2.342 453 A HA 0.741 5.061 4.320 0.000 0.000 0.323 453 A C -0.987 176.638 177.584 0.068 0.000 1.125 453 A CA -0.509 51.580 52.037 0.086 0.000 0.785 453 A CB 0.706 19.765 19.000 0.099 0.000 1.221 453 A HN 0.684 nan 8.150 nan 0.000 0.463 454 I N 1.672 122.282 120.570 0.065 0.000 2.474 454 I HA 0.425 4.595 4.170 0.000 0.000 0.294 454 I C -0.744 175.401 176.117 0.047 0.000 1.005 454 I CA -0.416 60.931 61.300 0.079 0.000 1.113 454 I CB 2.010 40.045 38.000 0.058 0.000 1.289 454 I HN 0.518 nan 8.210 nan 0.000 0.436 455 L N 9.389 130.643 121.223 0.053 0.000 2.353 455 L HA 0.654 4.994 4.340 0.000 0.000 0.270 455 L C -2.594 174.296 176.870 0.034 0.000 1.003 455 L CA -1.897 52.960 54.840 0.029 0.000 0.862 455 L CB 1.140 43.204 42.059 0.008 0.000 1.221 455 L HN 0.282 nan 8.230 nan 0.000 0.430 456 P HA 0.209 nan 4.420 nan 0.000 0.282 456 P C -0.960 176.341 177.300 0.001 0.000 1.262 456 P CA -0.171 62.940 63.100 0.019 0.000 0.773 456 P CB 1.051 32.758 31.700 0.012 0.000 0.879 457 L N 3.888 125.113 121.223 0.003 0.000 2.292 457 L HA 0.417 4.757 4.340 0.000 0.000 0.284 457 L C 1.347 178.207 176.870 -0.017 0.000 1.065 457 L CA -0.745 54.084 54.840 -0.018 0.000 0.806 457 L CB 0.883 42.931 42.059 -0.019 0.000 1.175 457 L HN 0.304 nan 8.230 nan 0.000 0.431 458 R N 1.894 122.377 120.500 -0.029 0.000 2.605 458 R HA 0.046 4.386 4.340 0.000 0.000 0.271 458 R C 1.403 177.686 176.300 -0.028 0.000 1.418 458 R CA 0.320 56.404 56.100 -0.026 0.000 1.102 458 R CB 0.160 30.442 30.300 -0.031 0.000 1.131 458 R HN 0.926 nan 8.270 nan 0.000 0.554 459 G N 2.425 111.214 108.800 -0.019 0.000 2.679 459 G HA2 -0.483 3.477 3.960 0.000 0.000 0.222 459 G HA3 -0.483 3.477 3.960 0.000 0.000 0.222 459 G C 1.650 176.531 174.900 -0.032 0.000 1.164 459 G CA 1.588 46.676 45.100 -0.020 0.000 0.769 459 G HN 0.648 nan 8.290 nan 0.000 0.610 460 K N 0.590 120.971 120.400 -0.032 0.000 2.113 460 K HA 0.027 4.347 4.320 0.000 0.000 0.208 460 K C 2.438 179.014 176.600 -0.039 0.000 1.047 460 K CA 1.685 57.950 56.287 -0.036 0.000 0.928 460 K CB -0.679 31.804 32.500 -0.029 0.000 0.716 460 K HN 0.501 nan 8.250 nan 0.000 0.446 461 I N 0.018 120.564 120.570 -0.040 0.000 2.394 461 I HA -0.192 3.978 4.170 0.000 0.000 0.251 461 I C 2.028 178.115 176.117 -0.050 0.000 1.136 461 I CA 1.021 62.294 61.300 -0.045 0.000 1.425 461 I CB -0.091 37.879 38.000 -0.051 0.000 1.079 461 I HN 0.196 nan 8.210 nan 0.000 0.425 462 L N 0.717 121.910 121.223 -0.050 0.000 2.418 462 L HA 0.091 4.431 4.340 0.000 0.000 0.218 462 L C 1.137 177.985 176.870 -0.037 0.000 1.125 462 L CA 1.005 55.815 54.840 -0.051 0.000 0.835 462 L CB -1.638 40.393 42.059 -0.046 0.000 0.953 462 L HN 0.528 nan 8.230 nan 0.000 0.454 470 D N 1.661 122.092 120.400 0.050 0.000 2.502 470 D HA 0.603 5.243 4.640 0.000 0.000 0.301 470 D C 0.434 176.760 176.300 0.042 0.000 1.202 470 D CA 0.670 54.693 54.000 0.039 0.000 0.878 470 D CB 1.115 41.932 40.800 0.028 0.000 1.062 470 D HN 1.145 nan 8.370 nan 0.000 0.499 471 R N 0.672 121.204 120.500 0.054 0.000 2.531 471 R HA 0.934 5.274 4.340 0.000 0.000 0.273 471 R C 0.527 176.859 176.300 0.053 0.000 1.070 471 R CA 0.406 56.547 56.100 0.067 0.000 1.112 471 R CB 0.154 30.512 30.300 0.098 0.000 1.049 471 R HN 0.806 nan 8.270 nan 0.000 0.508 472 I N -1.770 118.831 120.570 0.052 0.000 3.169 472 I HA 0.786 4.956 4.170 0.000 0.000 0.315 472 I C 0.612 176.751 176.117 0.036 0.000 1.433 472 I CA -0.576 60.747 61.300 0.038 0.000 0.915 472 I CB 0.266 38.275 38.000 0.016 0.000 1.292 472 I HN 1.786 nan 8.210 nan 0.000 0.532 473 L N 1.826 123.064 121.223 0.025 0.000 2.529 473 L HA 0.475 4.815 4.340 0.000 0.000 0.287 473 L C 0.765 177.623 176.870 -0.020 0.000 1.241 473 L CA 0.041 54.892 54.840 0.017 0.000 0.857 473 L CB -1.005 41.060 42.059 0.010 0.000 1.113 473 L HN 1.325 nan 8.230 nan 0.000 0.504 474 N N 2.019 120.696 118.700 -0.038 0.000 2.294 474 N HA -0.017 4.723 4.740 0.000 0.000 0.248 474 N C -0.171 175.277 175.510 -0.102 0.000 1.242 474 N CA 0.116 53.103 53.050 -0.105 0.000 0.848 474 N CB -0.111 38.310 38.487 -0.110 0.000 1.084 474 N HN 0.848 nan 8.380 nan 0.000 0.457 475 N N 1.225 119.840 118.700 -0.142 0.000 2.467 475 N HA 0.100 4.840 4.740 0.000 0.000 0.262 475 N C 1.172 176.610 175.510 -0.120 0.000 1.234 475 N CA -0.445 52.532 53.050 -0.121 0.000 0.952 475 N CB 0.324 38.729 38.487 -0.138 0.000 1.158 475 N HN 0.393 nan 8.380 nan 0.000 0.463 476 N N 0.947 119.592 118.700 -0.090 0.000 2.223 476 N HA -0.138 4.602 4.740 0.000 0.000 0.185 476 N C 0.933 176.381 175.510 -0.104 0.000 1.016 476 N CA 0.893 53.894 53.050 -0.083 0.000 0.863 476 N CB 0.120 38.571 38.487 -0.060 0.000 0.983 476 N HN 0.539 nan 8.380 nan 0.000 0.429 477 E N 1.062 121.192 120.200 -0.117 0.000 2.028 477 E HA -0.030 4.320 4.350 0.000 0.000 0.191 477 E C 2.219 178.700 176.600 -0.199 0.000 0.988 477 E CA 0.495 56.814 56.400 -0.134 0.000 0.799 477 E CB -0.181 29.446 29.700 -0.122 0.000 0.755 477 E HN 0.411 nan 8.360 nan 0.000 0.447 478 I N 0.471 120.886 120.570 -0.259 0.000 2.252 478 I HA -0.230 3.940 4.170 0.000 0.000 0.245 478 I C 2.555 178.479 176.117 -0.321 0.000 1.102 478 I CA 0.850 61.910 61.300 -0.399 0.000 1.385 478 I CB -0.329 37.349 38.000 -0.538 0.000 1.064 478 I HN -0.000 nan 8.210 nan 0.000 0.414 479 R N 0.633 121.003 120.500 -0.216 0.000 2.117 479 R HA -0.217 4.123 4.340 0.000 0.000 0.243 479 R C 2.346 178.558 176.300 -0.146 0.000 1.143 479 R CA 1.534 57.545 56.100 -0.149 0.000 0.968 479 R CB -0.264 29.976 30.300 -0.099 0.000 0.863 479 R HN 0.514 nan 8.270 nan 0.000 0.444 480 Q N -0.041 119.666 119.800 -0.153 0.000 2.079 480 Q HA -0.157 4.183 4.340 0.000 0.000 0.200 480 Q C 2.155 178.029 176.000 -0.210 0.000 0.974 480 Q CA 1.418 57.138 55.803 -0.137 0.000 0.840 480 Q CB -0.094 28.578 28.738 -0.109 0.000 0.898 480 Q HN 0.332 nan 8.270 nan 0.000 0.430 481 M N 0.592 120.007 119.600 -0.309 0.000 2.082 481 M HA -0.241 4.239 4.480 0.000 0.000 0.258 481 M C 1.840 177.680 176.300 -0.767 0.000 1.069 481 M CA 1.664 56.639 55.300 -0.541 0.000 1.102 481 M CB -0.052 32.223 32.600 -0.542 0.000 1.336 481 M HN 0.170 nan 8.290 nan 0.000 0.404 482 I N -0.697 119.615 120.570 -0.431 0.000 2.113 482 I HA -0.296 3.874 4.170 0.000 0.000 0.238 482 I C 2.215 178.280 176.117 -0.087 0.000 1.070 482 I CA 1.802 62.976 61.300 -0.210 0.000 1.332 482 I CB -1.012 36.951 38.000 -0.061 0.000 1.044 482 I HN 0.316 nan 8.210 nan 0.000 0.402 483 T N 1.036 115.546 114.554 -0.074 0.000 2.649 483 T HA -0.306 4.044 4.350 0.000 0.000 0.268 483 T C 1.994 176.717 174.700 0.039 0.000 1.036 483 T CA 1.860 63.955 62.100 -0.009 0.000 1.157 483 T CB -0.526 68.329 68.868 -0.021 0.000 0.861 483 T HN 0.526 nan 8.240 nan 0.000 0.445 484 A N 0.854 123.680 122.820 0.012 0.000 1.930 484 A HA 0.045 4.365 4.320 0.000 0.000 0.217 484 A C 1.983 179.804 177.584 0.394 0.000 1.175 484 A CA 1.087 53.219 52.037 0.159 0.000 0.627 484 A CB -0.787 18.282 19.000 0.114 0.000 0.815 484 A HN 0.374 nan 8.150 nan 0.000 0.443 485 F N -0.577 119.514 119.950 0.235 0.000 2.046 485 F HA 0.100 4.627 4.527 -0.000 0.000 0.297 485 F C 2.475 178.350 175.800 0.125 0.000 1.123 485 F CA 1.250 59.403 58.000 0.254 0.000 1.199 485 F CB -1.204 37.923 39.000 0.212 0.000 0.972 485 F HN 0.441 nan 8.300 nan 0.000 0.474 486 G N -1.567 107.409 108.800 0.294 0.000 2.278 486 G HA2 -0.324 3.636 3.960 0.000 0.000 0.210 486 G HA3 -0.324 3.636 3.960 0.000 0.000 0.210 486 G C 1.229 176.202 174.900 0.122 0.000 1.000 486 G CA 1.142 46.329 45.100 0.146 0.000 0.635 486 G HN 0.565 nan 8.290 nan 0.000 0.495 487 T N 0.314 114.964 114.554 0.159 0.000 2.770 487 T HA 0.374 4.724 4.350 0.000 0.000 0.263 487 T C 1.957 176.714 174.700 0.096 0.000 1.039 487 T CA 1.733 63.895 62.100 0.103 0.000 1.142 487 T CB -0.660 68.263 68.868 0.091 0.000 0.868 487 T HN 1.543 nan 8.240 nan 0.000 0.435 496 A N 0.971 123.779 122.820 -0.020 0.000 2.259 496 A HA 0.506 4.826 4.320 0.000 0.000 0.208 496 A C 1.609 179.196 177.584 0.005 0.000 1.201 496 A CA 1.169 53.192 52.037 -0.023 0.000 0.824 496 A CB -0.709 18.283 19.000 -0.014 0.000 0.838 496 A HN 2.317 nan 8.150 nan 0.000 0.485 497 K N 0.112 120.520 120.400 0.012 0.000 2.665 497 K HA 0.652 4.972 4.320 0.000 0.000 0.214 497 K C 0.611 177.226 176.600 0.024 0.000 1.032 497 K CA 0.503 56.803 56.287 0.021 0.000 1.198 497 K CB -1.494 31.019 32.500 0.022 0.000 0.941 497 K HN 0.867 nan 8.250 nan 0.000 0.491 498 A N 0.529 123.364 122.820 0.026 0.000 2.507 498 A HA 0.286 4.606 4.320 0.000 0.000 0.235 498 A C 1.394 178.966 177.584 -0.021 0.000 1.070 498 A CA -0.194 51.866 52.037 0.038 0.000 0.768 498 A CB 0.299 19.348 19.000 0.081 0.000 1.011 498 A HN 0.500 nan 8.150 nan 0.000 0.502 499 R N -0.225 120.223 120.500 -0.088 0.000 2.156 499 R HA 0.068 4.408 4.340 0.000 0.000 0.207 499 R C -0.745 175.257 176.300 -0.497 0.000 1.040 499 R CA 0.920 56.800 56.100 -0.367 0.000 1.013 499 R CB 0.064 29.980 30.300 -0.639 0.000 0.931 499 R HN 0.784 nan 8.270 nan 0.000 0.465 500 Y N -0.934 119.410 120.300 0.074 0.000 2.338 500 Y HA 0.235 4.785 4.550 -0.000 0.000 0.333 500 Y C 0.612 176.435 175.900 -0.129 0.000 0.968 500 Y CA -0.786 57.329 58.100 0.026 0.000 1.123 500 Y CB 1.498 39.983 38.460 0.041 0.000 1.165 500 Y HN -0.053 nan 8.280 nan 0.000 0.452 501 H N 0.742 119.700 119.070 -0.186 0.000 2.428 501 H HA 0.073 4.629 4.556 0.000 0.000 0.296 501 H C -0.155 174.818 175.328 -0.593 0.000 1.062 501 H CA 1.147 56.770 56.048 -0.709 0.000 1.350 501 H CB 0.362 29.813 29.762 -0.519 0.000 1.403 501 H HN 0.381 nan 8.280 nan 0.000 0.533 502 K N 0.826 121.155 120.400 -0.119 0.000 2.244 502 K HA 0.415 4.735 4.320 0.000 0.000 0.260 502 K C -0.896 175.650 176.600 -0.090 0.000 0.951 502 K CA -0.366 55.874 56.287 -0.078 0.000 0.826 502 K CB 2.259 34.586 32.500 -0.289 0.000 1.108 502 K HN 0.021 nan 8.250 nan 0.000 0.433 503 I N 3.465 124.025 120.570 -0.017 0.000 2.595 503 I HA 0.148 4.318 4.170 0.000 0.000 0.275 503 I C -0.478 175.577 176.117 -0.103 0.000 1.092 503 I CA -0.936 60.311 61.300 -0.089 0.000 1.145 503 I CB 1.402 39.346 38.000 -0.092 0.000 1.276 503 I HN 0.193 nan 8.210 nan 0.000 0.497 504 V N 6.455 126.182 119.914 -0.312 0.000 2.555 504 V HA 0.244 4.364 4.120 0.000 0.000 0.286 504 V C 0.489 176.544 176.094 -0.065 0.000 1.044 504 V CA -0.052 62.088 62.300 -0.266 0.000 1.026 504 V CB 1.520 32.946 31.823 -0.662 0.000 0.981 504 V HN 0.455 nan 8.190 nan 0.000 0.480 505 I N 6.121 126.701 120.570 0.016 0.000 2.307 505 I HA 0.323 4.493 4.170 0.000 0.000 0.287 505 I C 0.052 176.235 176.117 0.111 0.000 1.054 505 I CA 0.027 61.371 61.300 0.074 0.000 1.218 505 I CB 0.680 38.704 38.000 0.040 0.000 1.398 505 I HN 0.453 nan 8.210 nan 0.000 0.475 506 M N 6.663 126.359 119.600 0.160 0.000 2.084 506 M HA 0.334 4.814 4.480 0.000 0.000 0.351 506 M C -0.090 176.272 176.300 0.103 0.000 1.240 506 M CA -0.114 55.274 55.300 0.147 0.000 1.083 506 M CB 1.153 33.862 32.600 0.182 0.000 1.593 506 M HN 0.559 nan 8.290 nan 0.000 0.463 507 T N -1.216 113.386 114.554 0.081 0.000 2.883 507 T HA 0.459 4.809 4.350 0.000 0.000 0.301 507 T C -0.635 174.097 174.700 0.053 0.000 1.158 507 T CA -1.189 60.952 62.100 0.068 0.000 1.007 507 T CB 1.843 70.754 68.868 0.072 0.000 1.186 507 T HN 0.394 nan 8.240 nan 0.000 0.499 508 D N 0.231 120.661 120.400 0.050 0.000 2.361 508 D HA 0.433 5.073 4.640 0.000 0.000 0.239 508 D C 1.404 177.725 176.300 0.035 0.000 1.200 508 D CA -0.035 53.989 54.000 0.039 0.000 0.915 508 D CB 1.069 41.894 40.800 0.040 0.000 1.170 508 D HN 0.747 nan 8.370 nan 0.000 0.444 509 A N 1.308 124.142 122.820 0.023 0.000 1.968 509 A HA -0.082 4.238 4.320 0.000 0.000 0.217 509 A C 0.572 178.168 177.584 0.019 0.000 1.169 509 A CA 0.779 52.823 52.037 0.013 0.000 0.638 509 A CB -0.484 18.513 19.000 -0.006 0.000 0.812 509 A HN 0.692 nan 8.150 nan 0.000 0.446 510 D N 0.023 120.440 120.400 0.029 0.000 2.341 510 D HA 0.088 4.728 4.640 0.000 0.000 0.235 510 D C 1.592 177.925 176.300 0.055 0.000 1.265 510 D CA 0.518 54.542 54.000 0.040 0.000 0.888 510 D CB -0.102 40.727 40.800 0.048 0.000 1.192 510 D HN 0.495 nan 8.370 nan 0.000 0.462 511 V N -1.511 118.440 119.914 0.063 0.000 2.226 511 V HA -0.380 3.740 4.120 0.000 0.000 0.254 511 V C 1.951 178.164 176.094 0.198 0.000 1.065 511 V CA 2.413 64.758 62.300 0.076 0.000 1.039 511 V CB -0.998 30.895 31.823 0.117 0.000 0.653 511 V HN 0.649 nan 8.190 nan 0.000 0.450 512 D N 1.381 121.954 120.400 0.288 0.000 2.133 512 D HA -0.141 4.499 4.640 0.000 0.000 0.192 512 D C 2.193 178.673 176.300 0.300 0.000 1.001 512 D CA 2.235 56.452 54.000 0.363 0.000 0.844 512 D CB -0.855 40.015 40.800 0.116 0.000 0.944 512 D HN 0.609 nan 8.370 nan 0.000 0.447 513 G N 0.422 109.315 108.800 0.154 0.000 2.446 513 G HA2 -0.222 3.738 3.960 0.000 0.000 0.217 513 G HA3 -0.222 3.738 3.960 0.000 0.000 0.217 513 G C 1.757 176.713 174.900 0.094 0.000 1.168 513 G CA 1.682 46.844 45.100 0.103 0.000 0.771 513 G HN 0.447 nan 8.290 nan 0.000 0.551 514 A N 0.359 123.208 122.820 0.049 0.000 2.019 514 A HA -0.042 4.278 4.320 0.000 0.000 0.219 514 A C 1.957 179.537 177.584 -0.007 0.000 1.164 514 A CA 1.996 54.029 52.037 -0.005 0.000 0.644 514 A CB -0.658 18.302 19.000 -0.066 0.000 0.805 514 A HN 0.545 nan 8.150 nan 0.000 0.449 515 H N -0.019 119.071 119.070 0.034 0.000 2.254 515 H HA -0.137 4.419 4.556 0.000 0.000 0.294 515 H C 1.944 177.298 175.328 0.044 0.000 1.071 515 H CA 2.405 58.474 56.048 0.035 0.000 1.228 515 H CB -0.285 29.494 29.762 0.027 0.000 1.358 515 H HN 0.446 nan 8.280 nan 0.000 0.495 516 I N 0.184 120.870 120.570 0.193 0.000 2.264 516 I HA -0.296 3.874 4.170 0.000 0.000 0.248 516 I C 2.688 178.874 176.117 0.116 0.000 1.111 516 I CA 1.323 62.697 61.300 0.124 0.000 1.382 516 I CB -0.325 37.732 38.000 0.094 0.000 1.060 516 I HN 0.231 nan 8.210 nan 0.000 0.418 517 R N 0.674 121.234 120.500 0.100 0.000 2.091 517 R HA -0.167 4.173 4.340 0.000 0.000 0.238 517 R C 2.163 178.519 176.300 0.093 0.000 1.136 517 R CA 2.176 58.327 56.100 0.085 0.000 0.959 517 R CB -0.239 30.096 30.300 0.059 0.000 0.856 517 R HN 0.297 nan 8.270 nan 0.000 0.437 518 T N 1.657 116.262 114.554 0.086 0.000 2.809 518 T HA -0.069 4.281 4.350 0.000 0.000 0.260 518 T C 1.807 176.587 174.700 0.134 0.000 1.039 518 T CA 0.965 63.119 62.100 0.089 0.000 1.141 518 T CB -0.280 68.621 68.868 0.054 0.000 0.869 518 T HN 0.230 nan 8.240 nan 0.000 0.437 519 L N 0.541 121.846 121.223 0.137 0.000 2.021 519 L HA -0.159 4.181 4.340 0.000 0.000 0.215 519 L C 2.333 179.337 176.870 0.224 0.000 1.074 519 L CA 1.488 56.419 54.840 0.152 0.000 0.760 519 L CB -0.344 41.782 42.059 0.112 0.000 0.889 519 L HN 0.175 nan 8.230 nan 0.000 0.433 520 L N -0.432 120.934 121.223 0.238 0.000 1.988 520 L HA -0.217 4.123 4.340 0.000 0.000 0.207 520 L C 2.343 179.582 176.870 0.614 0.000 1.071 520 L CA 1.738 56.822 54.840 0.407 0.000 0.744 520 L CB -0.733 41.530 42.059 0.340 0.000 0.893 520 L HN 0.217 nan 8.230 nan 0.000 0.433 521 L N -1.386 120.037 121.223 0.334 0.000 1.956 521 L HA -0.337 4.003 4.340 0.000 0.000 0.216 521 L C 2.404 179.455 176.870 0.301 0.000 1.073 521 L CA 2.187 57.171 54.840 0.240 0.000 0.762 521 L CB -1.078 41.040 42.059 0.099 0.000 0.889 521 L HN 0.271 nan 8.230 nan 0.000 0.433 522 T N -0.207 114.487 114.554 0.234 0.000 2.653 522 T HA -0.315 4.035 4.350 0.000 0.000 0.267 522 T C 1.482 176.343 174.700 0.268 0.000 1.037 522 T CA 2.270 64.494 62.100 0.207 0.000 1.159 522 T CB -0.476 68.498 68.868 0.177 0.000 0.859 522 T HN 0.365 nan 8.240 nan 0.000 0.449 523 F N 1.072 121.140 119.950 0.197 0.000 2.046 523 F HA -0.103 4.424 4.527 0.000 0.000 0.297 523 F C 1.816 177.735 175.800 0.198 0.000 1.123 523 F CA 1.270 59.355 58.000 0.142 0.000 1.199 523 F CB -0.836 38.171 39.000 0.011 0.000 0.972 523 F HN 0.127 nan 8.300 nan 0.000 0.474 524 F N 0.178 120.008 119.950 -0.201 0.000 2.115 524 F HA -0.246 4.281 4.527 -0.000 0.000 0.300 524 F C 3.044 178.714 175.800 -0.217 0.000 1.092 524 F CA 2.603 60.418 58.000 -0.308 0.000 1.245 524 F CB -1.779 37.230 39.000 0.015 0.000 0.995 524 F HN 0.192 nan 8.300 nan 0.000 0.481 525 Y N -0.324 120.033 120.300 0.095 0.000 2.207 525 Y HA -0.166 4.384 4.550 0.000 0.000 0.287 525 Y C 2.485 178.381 175.900 -0.007 0.000 1.156 525 Y CA 2.852 60.978 58.100 0.043 0.000 1.182 525 Y CB -1.556 36.938 38.460 0.057 0.000 0.979 525 Y HN 0.149 nan 8.280 nan 0.000 0.521 526 R N -0.688 119.828 120.500 0.026 0.000 2.093 526 R HA 0.134 4.474 4.340 0.000 0.000 0.224 526 R C 1.859 178.060 176.300 -0.165 0.000 1.101 526 R CA 1.500 57.598 56.100 -0.003 0.000 0.979 526 R CB -1.286 29.135 30.300 0.203 0.000 0.877 526 R HN 0.969 nan 8.270 nan 0.000 0.441 527 F N -2.550 117.207 119.950 -0.322 0.000 2.746 527 F HA 0.499 5.026 4.527 0.000 0.000 0.320 527 F C 0.916 176.560 175.800 -0.259 0.000 1.097 527 F CA -0.272 57.576 58.000 -0.253 0.000 1.195 527 F CB 1.060 39.933 39.000 -0.211 0.000 1.056 527 F HN -0.019 nan 8.300 nan 0.000 0.562 528 M N 0.275 119.806 119.600 -0.114 0.000 4.494 528 M HA 0.235 4.715 4.480 0.000 0.000 0.546 528 M C 1.449 177.740 176.300 -0.014 0.000 2.065 528 M CA 0.135 55.385 55.300 -0.083 0.000 0.552 528 M CB 0.493 32.994 32.600 -0.165 0.000 1.463 528 M HN 0.086 nan 8.290 nan 0.000 0.596 529 R N 0.632 121.115 120.500 -0.028 0.000 2.115 529 R HA 0.046 4.386 4.340 0.000 0.000 0.230 529 R C -0.943 175.335 176.300 -0.037 0.000 1.111 529 R CA 1.655 57.745 56.100 -0.017 0.000 0.976 529 R CB -2.503 27.777 30.300 -0.035 0.000 0.870 529 R HN 0.366 nan 8.270 nan 0.000 0.445 530 P HA -0.196 nan 4.420 nan 0.000 0.216 530 P C 1.376 178.583 177.300 -0.155 0.000 1.150 530 P CA 0.947 63.985 63.100 -0.103 0.000 0.843 530 P CB -0.187 31.449 31.700 -0.107 0.000 0.787 531 L N -0.874 120.281 121.223 -0.114 0.000 2.017 531 L HA -0.159 4.181 4.340 0.000 0.000 0.208 531 L C 2.802 179.619 176.870 -0.088 0.000 1.073 531 L CA 1.447 56.210 54.840 -0.127 0.000 0.745 531 L CB -0.784 41.306 42.059 0.052 0.000 0.894 531 L HN -0.118 nan 8.230 nan 0.000 0.432 532 I N -0.644 119.903 120.570 -0.039 0.000 2.226 532 I HA -0.260 3.910 4.170 0.000 0.000 0.245 532 I C 2.283 178.350 176.117 -0.083 0.000 1.100 532 I CA 1.329 62.590 61.300 -0.065 0.000 1.374 532 I CB -0.551 37.430 38.000 -0.032 0.000 1.057 532 I HN 0.283 nan 8.210 nan 0.000 0.413 533 E N 1.279 121.430 120.200 -0.082 0.000 2.153 533 E HA -0.175 4.175 4.350 0.000 0.000 0.194 533 E C 2.179 178.719 176.600 -0.100 0.000 0.988 533 E CA 1.301 57.651 56.400 -0.083 0.000 0.811 533 E CB -0.139 29.513 29.700 -0.080 0.000 0.746 533 E HN 0.545 nan 8.360 nan 0.000 0.466 534 A N 0.224 122.948 122.820 -0.160 0.000 2.218 534 A HA 0.259 4.579 4.320 0.000 0.000 0.209 534 A C 1.606 179.187 177.584 -0.006 0.000 1.168 534 A CA 0.672 52.593 52.037 -0.194 0.000 0.804 534 A CB -0.162 18.480 19.000 -0.597 0.000 0.834 534 A HN 0.290 nan 8.150 nan 0.000 0.482 535 G N -1.629 107.154 108.800 -0.028 0.000 2.246 535 G HA2 -0.320 3.640 3.960 0.000 0.000 0.273 535 G HA3 -0.320 3.640 3.960 0.000 0.000 0.273 535 G C 0.351 175.283 174.900 0.054 0.000 1.055 535 G CA 0.626 45.691 45.100 -0.059 0.000 0.851 535 G HN 0.623 nan 8.290 nan 0.000 0.500 536 Y N -1.106 119.092 120.300 -0.169 0.000 2.510 536 Y HA 0.255 4.805 4.550 0.000 0.000 0.273 536 Y C 1.718 177.562 175.900 -0.092 0.000 1.119 536 Y CA 0.387 58.449 58.100 -0.064 0.000 1.286 536 Y CB 0.899 39.307 38.460 -0.086 0.000 1.061 536 Y HN 0.484 nan 8.280 nan 0.000 0.542 537 V N -1.794 118.040 119.914 -0.132 0.000 2.370 537 V HA 0.407 4.527 4.120 0.000 0.000 0.279 537 V C -1.081 174.808 176.094 -0.341 0.000 1.029 537 V CA -1.055 61.110 62.300 -0.224 0.000 0.870 537 V CB 0.002 31.562 31.823 -0.437 0.000 0.984 537 V HN -0.016 nan 8.190 nan 0.000 0.451 538 Y N 4.076 124.279 120.300 -0.161 0.000 2.654 538 Y HA 0.774 5.324 4.550 0.000 0.000 0.327 538 Y C 0.270 176.104 175.900 -0.111 0.000 1.122 538 Y CA -1.482 56.545 58.100 -0.121 0.000 1.227 538 Y CB 1.747 40.136 38.460 -0.117 0.000 1.370 538 Y HN 0.550 nan 8.280 nan 0.000 0.528 539 I N 0.978 121.615 120.570 0.113 0.000 2.569 539 I HA 0.474 4.644 4.170 0.000 0.000 0.290 539 I C -0.644 175.527 176.117 0.090 0.000 1.088 539 I CA -1.156 60.182 61.300 0.064 0.000 1.047 539 I CB 1.790 39.808 38.000 0.029 0.000 1.237 539 I HN 0.704 nan 8.210 nan 0.000 0.421 540 A N 5.964 128.843 122.820 0.098 0.000 2.445 540 A HA 0.323 4.643 4.320 0.000 0.000 0.242 540 A C -0.136 177.509 177.584 0.102 0.000 1.075 540 A CA 0.113 52.223 52.037 0.120 0.000 0.777 540 A CB 0.270 19.363 19.000 0.154 0.000 1.013 540 A HN 0.760 nan 8.150 nan 0.000 0.493 541 Q N 1.727 121.597 119.800 0.116 0.000 2.932 541 Q HA 0.266 4.606 4.340 0.000 0.000 0.248 541 Q C -2.620 173.496 176.000 0.193 0.000 0.982 541 Q CA -1.650 54.238 55.803 0.141 0.000 0.730 541 Q CB 1.398 30.227 28.738 0.152 0.000 1.249 541 Q HN 0.525 nan 8.270 nan 0.000 0.476 542 P HA 0.170 nan 4.420 nan 0.000 0.274 542 P C -2.413 174.739 177.300 -0.246 0.000 1.246 542 P CA -1.268 61.813 63.100 -0.032 0.000 0.795 542 P CB -0.105 31.533 31.700 -0.105 0.000 1.006 543 P HA -0.053 nan 4.420 nan 0.000 0.271 543 P C 0.197 177.155 177.300 -0.570 0.000 1.233 543 P CA 0.214 62.671 63.100 -1.071 0.000 0.795 543 P CB 0.275 31.468 31.700 -0.846 0.000 0.936 544 L N 0.075 121.053 121.223 -0.409 0.000 2.694 544 L HA 0.374 4.714 4.340 0.000 0.000 0.228 544 L C -0.446 176.212 176.870 -0.354 0.000 1.048 544 L CA 0.890 55.556 54.840 -0.291 0.000 0.887 544 L CB 0.032 41.950 42.059 -0.235 0.000 1.265 544 L HN 0.255 nan 8.230 nan 0.000 0.492 545 Y N 0.196 120.499 120.300 0.004 0.000 2.477 545 Y HA 0.659 5.209 4.550 -0.000 0.000 0.347 545 Y C 0.075 175.958 175.900 -0.028 0.000 0.981 545 Y CA -0.559 57.540 58.100 -0.002 0.000 1.033 545 Y CB 1.385 39.835 38.460 -0.015 0.000 1.245 545 Y HN -0.195 nan 8.280 nan 0.000 0.455 546 K N 1.860 122.306 120.400 0.077 0.000 2.535 546 K HA 0.825 5.145 4.320 0.000 0.000 0.253 546 K C -1.351 175.250 176.600 0.002 0.000 0.953 546 K CA -0.278 55.995 56.287 -0.023 0.000 0.863 546 K CB 0.516 32.929 32.500 -0.145 0.000 1.111 546 K HN 0.916 nan 8.250 nan 0.000 0.431 547 L N 1.977 123.218 121.223 0.030 0.000 2.259 547 L HA 0.732 5.072 4.340 0.000 0.000 0.288 547 L C 0.759 177.639 176.870 0.017 0.000 1.051 547 L CA -0.287 54.564 54.840 0.018 0.000 0.824 547 L CB 0.053 42.123 42.059 0.019 0.000 1.206 547 L HN 0.914 nan 8.230 nan 0.000 0.429 548 T N 0.650 115.204 114.554 0.001 0.000 2.794 548 T HA 0.601 4.951 4.350 0.000 0.000 0.304 548 T C -0.219 174.483 174.700 0.004 0.000 0.973 548 T CA -0.519 61.583 62.100 0.004 0.000 0.972 548 T CB 0.938 69.800 68.868 -0.010 0.000 0.952 548 T HN 0.999 nan 8.240 nan 0.000 0.509 552 Q N 0.367 120.187 119.800 0.034 0.000 2.331 552 Q HA 0.891 5.231 4.340 0.000 0.000 0.267 552 Q C -0.017 176.016 176.000 0.055 0.000 1.006 552 Q CA -0.207 55.623 55.803 0.045 0.000 0.818 552 Q CB 1.046 29.806 28.738 0.036 0.000 1.276 552 Q HN 2.023 nan 8.270 nan 0.000 0.450 553 K N -0.628 119.824 120.400 0.086 0.000 2.480 553 K HA 0.988 5.308 4.320 0.000 0.000 0.258 553 K C -0.697 176.001 176.600 0.162 0.000 0.990 553 K CA -0.208 56.138 56.287 0.098 0.000 0.857 553 K CB 0.705 33.257 32.500 0.086 0.000 1.384 553 K HN 1.915 nan 8.250 nan 0.000 0.446 554 Y N -0.351 120.038 120.300 0.147 0.000 2.549 554 Y HA 0.753 5.303 4.550 0.000 0.000 0.339 554 Y C -0.995 175.043 175.900 0.230 0.000 1.053 554 Y CA -1.454 56.773 58.100 0.212 0.000 1.105 554 Y CB 1.606 40.146 38.460 0.133 0.000 1.258 554 Y HN 0.666 nan 8.280 nan 0.000 0.478 555 Y N 1.834 122.190 120.300 0.094 0.000 2.863 555 Y HA 0.531 5.081 4.550 0.000 0.000 0.348 555 Y C -0.216 175.758 175.900 0.123 0.000 1.028 555 Y CA -1.180 56.967 58.100 0.077 0.000 1.213 555 Y CB 0.960 39.465 38.460 0.076 0.000 1.120 555 Y HN 0.562 nan 8.280 nan 0.000 0.598 556 V N 2.604 122.620 119.914 0.170 0.000 2.617 556 V HA 0.117 4.237 4.120 0.000 0.000 0.298 556 V C -0.050 176.119 176.094 0.124 0.000 1.048 556 V CA -0.191 62.255 62.300 0.244 0.000 0.964 556 V CB 1.449 33.406 31.823 0.223 0.000 1.004 556 V HN 0.562 nan 8.190 nan 0.000 0.466 557 Y N 1.536 121.924 120.300 0.145 0.000 2.444 557 Y HA 0.292 4.842 4.550 -0.000 0.000 0.252 557 Y C 0.867 176.840 175.900 0.122 0.000 1.091 557 Y CA -0.543 57.622 58.100 0.108 0.000 1.276 557 Y CB 0.485 38.987 38.460 0.071 0.000 1.170 557 Y HN 0.789 nan 8.280 nan 0.000 0.517 558 N N -1.466 117.403 118.700 0.283 0.000 2.598 558 N HA 0.047 4.787 4.740 0.000 0.000 0.263 558 N C -0.271 175.352 175.510 0.189 0.000 1.254 558 N CA -0.326 52.858 53.050 0.222 0.000 0.863 558 N CB 0.972 39.555 38.487 0.159 0.000 1.586 558 N HN -0.147 nan 8.380 nan 0.000 0.491 559 D N 0.578 121.081 120.400 0.172 0.000 2.157 559 D HA -0.287 4.353 4.640 0.000 0.000 0.191 559 D C 2.074 178.388 176.300 0.023 0.000 1.004 559 D CA 3.036 57.077 54.000 0.070 0.000 0.854 559 D CB -0.066 40.775 40.800 0.068 0.000 0.936 559 D HN 0.778 nan 8.370 nan 0.000 0.446 560 R N 1.275 121.802 120.500 0.046 0.000 2.091 560 R HA -0.170 4.170 4.340 0.000 0.000 0.238 560 R C 2.051 178.370 176.300 0.032 0.000 1.136 560 R CA 2.032 58.150 56.100 0.031 0.000 0.959 560 R CB -1.459 28.863 30.300 0.037 0.000 0.856 560 R HN 0.400 nan 8.270 nan 0.000 0.437 561 E N -0.286 119.949 120.200 0.059 0.000 2.106 561 E HA -0.121 4.229 4.350 0.000 0.000 0.192 561 E C 2.073 178.700 176.600 0.046 0.000 0.984 561 E CA 1.194 57.635 56.400 0.069 0.000 0.806 561 E CB -0.085 29.688 29.700 0.121 0.000 0.750 561 E HN 0.397 nan 8.360 nan 0.000 0.458 562 L N 1.554 122.788 121.223 0.018 0.000 2.027 562 L HA -0.133 4.207 4.340 0.000 0.000 0.206 562 L C 2.160 178.986 176.870 -0.074 0.000 1.074 562 L CA 2.875 57.675 54.840 -0.067 0.000 0.745 562 L CB -1.154 40.754 42.059 -0.253 0.000 0.898 562 L HN 0.269 nan 8.230 nan 0.000 0.433 563 D N -0.845 119.517 120.400 -0.064 0.000 2.133 563 D HA -0.252 4.388 4.640 0.000 0.000 0.195 563 D C 2.190 178.475 176.300 -0.025 0.000 0.997 563 D CA 2.689 56.660 54.000 -0.048 0.000 0.840 563 D CB -0.728 40.053 40.800 -0.031 0.000 0.947 563 D HN 0.556 nan 8.370 nan 0.000 0.452 564 K N -0.407 119.988 120.400 -0.009 0.000 2.097 564 K HA 0.361 4.681 4.320 0.000 0.000 0.205 564 K C 2.814 179.415 176.600 0.003 0.000 1.050 564 K CA 1.934 58.222 56.287 0.001 0.000 0.938 564 K CB -1.622 30.885 32.500 0.012 0.000 0.718 564 K HN 1.151 nan 8.250 nan 0.000 0.442 565 L N 0.806 122.032 121.223 0.004 0.000 1.994 565 L HA 0.008 4.348 4.340 0.000 0.000 0.208 565 L C 3.045 179.913 176.870 -0.003 0.000 1.071 565 L CA 3.555 58.401 54.840 0.010 0.000 0.745 565 L CB -2.179 39.891 42.059 0.019 0.000 0.892 565 L HN 0.696 nan 8.230 nan 0.000 0.431 566 K N 0.351 120.738 120.400 -0.022 0.000 2.097 566 K HA -0.136 4.184 4.320 0.000 0.000 0.205 566 K C 2.583 179.173 176.600 -0.017 0.000 1.050 566 K CA 2.079 58.350 56.287 -0.026 0.000 0.938 566 K CB -1.391 31.081 32.500 -0.048 0.000 0.718 566 K HN 1.084 nan 8.250 nan 0.000 0.442 567 S N 0.112 115.803 115.700 -0.015 0.000 2.387 567 S HA -0.063 4.407 4.470 0.000 0.000 0.226 567 S C 1.307 175.905 174.600 -0.004 0.000 1.026 567 S CA 0.523 58.717 58.200 -0.009 0.000 0.972 567 S CB -0.129 63.066 63.200 -0.009 0.000 0.814 567 S HN 0.653 nan 8.310 nan 0.000 0.477 577 I N -0.336 120.228 120.570 -0.010 0.000 2.779 577 I HA 0.790 4.960 4.170 0.000 0.000 0.285 577 I C -0.061 176.072 176.117 0.028 0.000 1.134 577 I CA -0.411 60.901 61.300 0.021 0.000 1.398 577 I CB 0.847 38.856 38.000 0.016 0.000 1.404 577 I HN 1.055 nan 8.210 nan 0.000 0.587 578 A N 5.742 128.587 122.820 0.042 0.000 2.497 578 A HA 0.501 4.821 4.320 0.000 0.000 0.280 578 A C -0.439 177.073 177.584 -0.120 0.000 1.065 578 A CA -0.900 51.101 52.037 -0.061 0.000 0.781 578 A CB 0.855 19.755 19.000 -0.167 0.000 1.289 578 A HN 0.903 nan 8.150 nan 0.000 0.415 579 R N 2.434 122.861 120.500 -0.122 0.000 2.234 579 R HA 0.425 4.765 4.340 0.000 0.000 0.324 579 R C -1.489 174.635 176.300 -0.294 0.000 1.054 579 R CA -0.265 55.634 56.100 -0.334 0.000 0.912 579 R CB 0.261 30.333 30.300 -0.381 0.000 1.030 579 R HN 0.562 nan 8.270 nan 0.000 0.455 580 Y N 3.797 123.926 120.300 -0.285 0.000 2.677 580 Y HA -0.063 4.487 4.550 -0.000 0.000 0.335 580 Y C 1.019 176.812 175.900 -0.179 0.000 1.162 580 Y CA 0.570 58.547 58.100 -0.206 0.000 1.483 580 Y CB 0.786 39.111 38.460 -0.226 0.000 1.209 580 Y HN 0.656 nan 8.280 nan 0.000 0.528 581 K N 2.015 122.420 120.400 0.008 0.000 2.536 581 K HA 0.448 4.768 4.320 0.000 0.000 0.203 581 K C 0.039 176.651 176.600 0.021 0.000 1.063 581 K CA -0.078 56.207 56.287 -0.003 0.000 1.063 581 K CB 0.796 33.283 32.500 -0.022 0.000 0.843 581 K HN 0.661 nan 8.250 nan 0.000 0.521 582 G N 1.094 109.925 108.800 0.051 0.000 2.739 582 G HA2 0.329 4.289 3.960 0.000 0.000 0.292 582 G HA3 0.329 4.289 3.960 0.000 0.000 0.292 582 G C 0.113 175.053 174.900 0.066 0.000 1.444 582 G CA -0.767 44.361 45.100 0.046 0.000 1.144 582 G HN 0.071 nan 8.290 nan 0.000 0.550 583 L N 1.948 123.194 121.223 0.038 0.000 2.191 583 L HA -0.004 4.336 4.340 0.000 0.000 0.212 583 L C 2.715 179.605 176.870 0.032 0.000 1.103 583 L CA 1.536 56.389 54.840 0.022 0.000 0.769 583 L CB 0.102 42.170 42.059 0.016 0.000 0.908 583 L HN 0.675 nan 8.230 nan 0.000 0.438 584 G N -0.852 107.969 108.800 0.035 0.000 2.776 584 G HA2 -0.134 3.826 3.960 0.000 0.000 0.209 584 G HA3 -0.134 3.826 3.960 0.000 0.000 0.209 584 G C 1.285 176.212 174.900 0.045 0.000 1.145 584 G CA 0.026 45.144 45.100 0.030 0.000 0.791 584 G HN 0.435 nan 8.290 nan 0.000 0.530 585 E N -0.528 119.719 120.200 0.079 0.000 2.285 585 E HA 0.134 4.484 4.350 0.000 0.000 0.194 585 E C 0.938 177.626 176.600 0.148 0.000 0.997 585 E CA 0.116 56.583 56.400 0.111 0.000 0.845 585 E CB 0.150 29.945 29.700 0.158 0.000 0.782 585 E HN 0.390 nan 8.360 nan 0.000 0.491 586 M N 1.310 120.982 119.600 0.119 0.000 2.277 586 M HA 0.153 4.634 4.480 0.000 0.000 0.350 586 M C 0.092 176.430 176.300 0.063 0.000 1.180 586 M CA -0.633 54.720 55.300 0.088 0.000 1.103 586 M CB 1.072 33.667 32.600 -0.009 0.000 1.577 586 M HN -0.100 nan 8.290 nan 0.000 0.459 587 N N 0.654 119.398 118.700 0.072 0.000 2.317 587 N HA 0.181 4.921 4.740 0.000 0.000 0.245 587 N C 0.623 176.166 175.510 0.054 0.000 1.294 587 N CA 0.162 53.247 53.050 0.058 0.000 0.924 587 N CB 0.543 39.068 38.487 0.064 0.000 1.186 587 N HN 0.790 nan 8.380 nan 0.000 0.495 588 A N 0.936 123.781 122.820 0.043 0.000 1.834 588 A HA -0.249 4.071 4.320 0.000 0.000 0.216 588 A C 1.644 179.287 177.584 0.097 0.000 1.203 588 A CA 2.484 54.548 52.037 0.044 0.000 0.621 588 A CB -1.137 17.869 19.000 0.011 0.000 0.841 588 A HN 0.873 nan 8.150 nan 0.000 0.446 589 D N -0.647 119.810 120.400 0.094 0.000 2.158 589 D HA -0.255 4.385 4.640 0.000 0.000 0.197 589 D C 1.834 178.253 176.300 0.198 0.000 0.995 589 D CA 1.904 56.002 54.000 0.162 0.000 0.846 589 D CB -0.536 40.326 40.800 0.104 0.000 0.941 589 D HN 0.665 nan 8.370 nan 0.000 0.456 590 Q N -0.204 119.672 119.800 0.127 0.000 2.046 590 Q HA -0.006 4.334 4.340 0.000 0.000 0.200 590 Q C 2.413 178.465 176.000 0.086 0.000 0.975 590 Q CA 0.667 56.535 55.803 0.109 0.000 0.836 590 Q CB -0.199 28.628 28.738 0.149 0.000 0.896 590 Q HN 0.344 nan 8.270 nan 0.000 0.428 591 L N 0.482 121.752 121.223 0.078 0.000 2.013 591 L HA -0.235 4.105 4.340 0.000 0.000 0.212 591 L C 2.230 179.142 176.870 0.071 0.000 1.073 591 L CA 1.785 56.652 54.840 0.044 0.000 0.753 591 L CB -0.552 41.528 42.059 0.034 0.000 0.890 591 L HN 0.635 nan 8.230 nan 0.000 0.432 592 W N 1.111 122.382 121.300 -0.049 0.000 2.329 592 W HA -0.244 4.416 4.660 0.000 0.000 0.324 592 W C 2.198 178.720 176.519 0.005 0.000 1.222 592 W CA 1.438 58.754 57.345 -0.048 0.000 1.270 592 W CB -0.334 29.100 29.460 -0.044 0.000 1.167 592 W HN 0.175 nan 8.180 nan 0.000 0.467 593 E N -0.038 120.060 120.200 -0.171 0.000 2.058 593 E HA -0.230 4.120 4.350 0.000 0.000 0.194 593 E C 2.191 178.657 176.600 -0.222 0.000 0.997 593 E CA 2.885 59.116 56.400 -0.281 0.000 0.801 593 E CB -0.972 28.677 29.700 -0.086 0.000 0.746 593 E HN 0.499 nan 8.360 nan 0.000 0.450 594 T N -2.977 111.517 114.554 -0.100 0.000 3.009 594 T HA 0.050 4.400 4.350 0.000 0.000 0.258 594 T C 1.788 176.520 174.700 0.053 0.000 1.063 594 T CA 1.320 63.437 62.100 0.029 0.000 1.139 594 T CB 0.087 69.042 68.868 0.144 0.000 0.890 594 T HN -0.029 nan 8.240 nan 0.000 0.471 595 T N 1.278 115.816 114.554 -0.027 0.000 2.989 595 T HA 0.352 4.702 4.350 0.000 0.000 0.250 595 T C 1.509 176.198 174.700 -0.018 0.000 0.981 595 T CA 0.322 62.430 62.100 0.014 0.000 0.980 595 T CB 0.239 69.125 68.868 0.030 0.000 1.133 595 T HN 0.546 nan 8.240 nan 0.000 0.489 596 M N -0.355 119.161 119.600 -0.140 0.000 2.300 596 M HA 0.468 4.948 4.480 0.000 0.000 0.313 596 M C 0.061 176.126 176.300 -0.393 0.000 0.988 596 M CA -0.362 54.868 55.300 -0.116 0.000 1.012 596 M CB 0.051 32.498 32.600 -0.255 0.000 1.586 596 M HN -0.117 nan 8.290 nan 0.000 0.562 597 N N 3.515 121.660 118.700 -0.926 0.000 2.406 597 N HA 0.269 5.009 4.740 0.000 0.000 0.251 597 N C -2.136 173.034 175.510 -0.566 0.000 1.069 597 N CA -1.843 50.372 53.050 -1.391 0.000 0.947 597 N CB 1.362 38.724 38.487 -1.874 0.000 1.111 597 N HN -0.103 nan 8.380 nan 0.000 0.497 598 P HA -0.145 nan 4.420 nan 0.000 0.216 598 P C 0.683 177.839 177.300 -0.240 0.000 1.150 598 P CA 1.321 64.300 63.100 -0.200 0.000 0.843 598 P CB 0.344 31.979 31.700 -0.109 0.000 0.787 599 E N -1.392 118.609 120.200 -0.332 0.000 2.058 599 E HA -0.221 4.129 4.350 0.000 0.000 0.194 599 E C 1.678 177.990 176.600 -0.479 0.000 0.997 599 E CA 1.136 57.270 56.400 -0.444 0.000 0.801 599 E CB -0.369 28.949 29.700 -0.636 0.000 0.746 599 E HN 0.529 nan 8.360 nan 0.000 0.450 600 H N -0.503 118.450 119.070 -0.195 0.000 2.654 600 H HA 0.103 4.659 4.556 -0.000 0.000 0.264 600 H C 0.922 176.138 175.328 -0.187 0.000 0.954 600 H CA 0.043 55.982 56.048 -0.182 0.000 1.199 600 H CB 0.139 29.785 29.762 -0.192 0.000 1.446 600 H HN 0.110 nan 8.280 nan 0.000 0.516 601 R N 1.353 121.786 120.500 -0.112 0.000 2.738 601 R HA 0.424 4.764 4.340 0.000 0.000 0.268 601 R C -0.410 175.832 176.300 -0.097 0.000 1.062 601 R CA 0.146 56.187 56.100 -0.098 0.000 1.158 601 R CB 0.574 30.810 30.300 -0.105 0.000 1.046 601 R HN 0.014 nan 8.270 nan 0.000 0.493 602 A N 3.945 126.719 122.820 -0.076 0.000 3.159 602 A HA 0.271 4.591 4.320 0.000 0.000 0.330 602 A C -0.653 176.925 177.584 -0.009 0.000 1.032 602 A CA -0.774 51.221 52.037 -0.070 0.000 0.841 602 A CB 0.335 19.255 19.000 -0.133 0.000 1.093 602 A HN 0.512 nan 8.150 nan 0.000 0.478 603 L N 0.132 121.354 121.223 -0.002 0.000 2.472 603 L HA 0.316 4.656 4.340 0.000 0.000 0.273 603 L C 0.101 177.036 176.870 0.109 0.000 1.254 603 L CA 0.326 55.197 54.840 0.052 0.000 0.823 603 L CB 0.470 42.521 42.059 -0.013 0.000 1.096 603 L HN 0.589 nan 8.230 nan 0.000 0.521 604 L N 1.157 122.478 121.223 0.164 0.000 2.404 604 L HA 0.367 4.707 4.340 0.000 0.000 0.272 604 L C -0.243 176.685 176.870 0.097 0.000 0.980 604 L CA -0.187 54.723 54.840 0.116 0.000 0.836 604 L CB 1.269 43.365 42.059 0.062 0.000 1.238 604 L HN 0.605 nan 8.230 nan 0.000 0.408 605 Q N 1.817 121.624 119.800 0.012 0.000 2.584 605 Q HA 0.327 4.667 4.340 0.000 0.000 0.218 605 Q C -0.880 175.009 176.000 -0.185 0.000 1.079 605 Q CA -0.246 55.390 55.803 -0.279 0.000 1.008 605 Q CB 1.784 30.370 28.738 -0.252 0.000 1.267 605 Q HN 0.566 nan 8.270 nan 0.000 0.586 606 V N -0.621 119.154 119.914 -0.231 0.000 2.919 606 V HA 0.846 4.966 4.120 0.000 0.000 0.316 606 V C -0.592 175.437 176.094 -0.108 0.000 1.077 606 V CA 0.463 62.676 62.300 -0.144 0.000 0.977 606 V CB 1.509 33.236 31.823 -0.158 0.000 1.039 606 V HN 0.908 nan 8.190 nan 0.000 0.441 1028 S N -0.181 115.524 115.700 0.008 0.000 2.428 1028 S HA 0.018 4.488 4.470 0.000 0.000 0.230 1028 S C 1.735 176.344 174.600 0.014 0.000 1.014 1028 S CA 1.353 59.559 58.200 0.011 0.000 0.957 1028 S CB -0.953 62.256 63.200 0.014 0.000 0.784 1028 S HN 0.941 nan 8.310 nan 0.000 0.499 1029 V N 2.763 122.686 119.914 0.015 0.000 2.270 1029 V HA -0.128 3.992 4.120 0.000 0.000 0.245 1029 V C 2.388 178.492 176.094 0.017 0.000 1.043 1029 V CA 1.604 63.915 62.300 0.018 0.000 1.014 1029 V CB -0.912 30.924 31.823 0.021 0.000 0.645 1029 V HN 0.443 nan 8.190 nan 0.000 0.447 1030 I N -0.104 120.477 120.570 0.018 0.000 2.151 1030 I HA -0.268 3.902 4.170 0.000 0.000 0.243 1030 I C 2.329 178.457 176.117 0.019 0.000 1.080 1030 I CA 1.506 62.819 61.300 0.021 0.000 1.339 1030 I CB -0.664 37.348 38.000 0.020 0.000 1.039 1030 I HN 0.164 nan 8.210 nan 0.000 0.409 1031 V N 1.198 121.121 119.914 0.015 0.000 2.244 1031 V HA -0.323 3.797 4.120 0.000 0.000 0.235 1031 V C 2.681 178.783 176.094 0.015 0.000 1.026 1031 V CA 2.154 64.462 62.300 0.013 0.000 0.990 1031 V CB -1.187 30.642 31.823 0.009 0.000 0.640 1031 V HN 0.516 nan 8.190 nan 0.000 0.463 1032 A N 0.550 123.378 122.820 0.012 0.000 2.042 1032 A HA -0.286 4.034 4.320 0.000 0.000 0.222 1032 A C 2.285 179.882 177.584 0.021 0.000 1.167 1032 A CA 2.233 54.277 52.037 0.012 0.000 0.649 1032 A CB -0.735 18.272 19.000 0.010 0.000 0.809 1032 A HN 0.580 nan 8.150 nan 0.000 0.457 1033 R N -0.466 120.048 120.500 0.024 0.000 2.276 1033 R HA 0.170 4.510 4.340 0.000 0.000 0.203 1033 R C 1.472 177.796 176.300 0.040 0.000 1.017 1033 R CA 1.438 57.557 56.100 0.031 0.000 1.010 1033 R CB -0.402 29.907 30.300 0.016 0.000 0.900 1033 R HN 0.415 nan 8.270 nan 0.000 0.469 1034 A N 1.190 124.031 122.820 0.035 0.000 1.993 1034 A HA 0.306 4.626 4.320 0.000 0.000 0.202 1034 A C 0.926 178.539 177.584 0.048 0.000 1.461 1034 A CA -0.321 51.742 52.037 0.043 0.000 0.824 1034 A CB -0.067 18.953 19.000 0.034 0.000 1.024 1034 A HN 0.175 nan 8.150 nan 0.000 0.507 1035 L N 2.405 123.648 121.223 0.033 0.000 2.490 1035 L HA 0.214 4.554 4.340 0.000 0.000 0.274 1035 L C -2.183 174.702 176.870 0.025 0.000 1.201 1035 L CA -1.521 53.336 54.840 0.027 0.000 0.869 1035 L CB -0.069 41.998 42.059 0.013 0.000 1.123 1035 L HN 0.230 nan 8.230 nan 0.000 0.484 1036 P HA 0.022 nan 4.420 nan 0.000 0.278 1036 P C -0.849 176.439 177.300 -0.019 0.000 1.238 1036 P CA -0.425 62.681 63.100 0.011 0.000 0.794 1036 P CB 0.892 32.599 31.700 0.012 0.000 0.955 1037 D N 1.748 122.124 120.400 -0.040 0.000 2.424 1037 D HA -0.048 4.592 4.640 0.000 0.000 0.244 1037 D C 1.068 177.320 176.300 -0.081 0.000 1.134 1037 D CA -0.049 53.905 54.000 -0.076 0.000 0.881 1037 D CB 1.317 42.054 40.800 -0.105 0.000 1.191 1037 D HN -0.022 nan 8.370 nan 0.000 0.445 1038 V N 5.237 125.094 119.914 -0.094 0.000 3.241 1038 V HA -0.128 3.992 4.120 0.000 0.000 0.269 1038 V C 2.133 178.197 176.094 -0.049 0.000 1.151 1038 V CA 1.449 63.706 62.300 -0.071 0.000 1.158 1038 V CB -0.373 31.383 31.823 -0.112 0.000 0.764 1038 V HN 0.478 nan 8.190 nan 0.000 0.508 1039 R N 0.439 120.861 120.500 -0.131 0.000 2.112 1039 R HA 0.024 4.364 4.340 0.000 0.000 0.216 1039 R C 1.493 177.690 176.300 -0.173 0.000 1.080 1039 R CA 1.449 57.410 56.100 -0.233 0.000 0.996 1039 R CB 0.008 29.951 30.300 -0.595 0.000 0.902 1039 R HN 0.738 nan 8.270 nan 0.000 0.449 1040 D N -2.597 117.705 120.400 -0.164 0.000 2.520 1040 D HA 0.130 4.770 4.640 0.000 0.000 0.223 1040 D C 1.074 177.314 176.300 -0.099 0.000 1.186 1040 D CA 0.607 54.531 54.000 -0.127 0.000 0.821 1040 D CB 0.622 41.330 40.800 -0.153 0.000 1.072 1040 D HN 0.177 nan 8.370 nan 0.000 0.518 1041 G N 0.632 109.390 108.800 -0.069 0.000 2.245 1041 G HA2 -0.291 3.669 3.960 0.000 0.000 0.264 1041 G HA3 -0.291 3.669 3.960 0.000 0.000 0.264 1041 G C 0.102 174.986 174.900 -0.028 0.000 0.985 1041 G CA 0.564 45.640 45.100 -0.040 0.000 0.625 1041 G HN 0.407 nan 8.290 nan 0.000 0.536 1042 L N 0.600 121.804 121.223 -0.032 0.000 2.395 1042 L HA 0.602 4.942 4.340 0.000 0.000 0.269 1042 L C 0.629 177.524 176.870 0.042 0.000 1.133 1042 L CA -0.561 54.284 54.840 0.009 0.000 0.812 1042 L CB 1.274 43.342 42.059 0.014 0.000 1.125 1042 L HN 0.374 nan 8.230 nan 0.000 0.452 1043 K N 2.719 123.199 120.400 0.133 0.000 2.208 1043 K HA 0.499 4.819 4.320 0.000 0.000 0.247 1043 K C -2.358 174.316 176.600 0.124 0.000 0.953 1043 K CA -1.590 54.774 56.287 0.129 0.000 0.837 1043 K CB 1.371 33.973 32.500 0.169 0.000 1.131 1043 K HN -0.020 nan 8.250 nan 0.000 0.431 1044 P HA -0.351 nan 4.420 nan 0.000 0.224 1044 P C 1.147 178.485 177.300 0.064 0.000 1.153 1044 P CA 1.829 64.978 63.100 0.082 0.000 0.947 1044 P CB -0.144 31.625 31.700 0.115 0.000 0.790 1045 V N -1.879 118.018 119.914 -0.028 0.000 2.343 1045 V HA -0.279 3.841 4.120 0.000 0.000 0.247 1045 V C 2.197 178.167 176.094 -0.207 0.000 1.051 1045 V CA 2.226 64.353 62.300 -0.289 0.000 1.036 1045 V CB -1.659 29.837 31.823 -0.544 0.000 0.654 1045 V HN 0.198 nan 8.190 nan 0.000 0.451 1046 H N -0.013 119.034 119.070 -0.039 0.000 2.321 1046 H HA -0.151 4.405 4.556 0.000 0.000 0.300 1046 H C 2.545 177.864 175.328 -0.016 0.000 1.087 1046 H CA 2.171 58.210 56.048 -0.014 0.000 1.319 1046 H CB -0.138 29.640 29.762 0.026 0.000 1.379 1046 H HN 0.246 nan 8.280 nan 0.000 0.501 1047 R N 1.063 121.623 120.500 0.100 0.000 2.073 1047 R HA -0.115 4.225 4.340 0.000 0.000 0.234 1047 R C 2.195 178.491 176.300 -0.006 0.000 1.134 1047 R CA 1.445 57.557 56.100 0.020 0.000 0.952 1047 R CB 0.024 30.304 30.300 -0.033 0.000 0.850 1047 R HN 0.266 nan 8.270 nan 0.000 0.433 1048 R N 0.052 120.541 120.500 -0.018 0.000 2.091 1048 R HA -0.137 4.203 4.340 0.000 0.000 0.238 1048 R C 2.351 178.667 176.300 0.026 0.000 1.136 1048 R CA 1.805 57.877 56.100 -0.047 0.000 0.959 1048 R CB -0.413 29.935 30.300 0.079 0.000 0.856 1048 R HN 0.322 nan 8.270 nan 0.000 0.437 1049 I N 0.807 121.402 120.570 0.042 0.000 2.163 1049 I HA -0.292 3.878 4.170 0.000 0.000 0.240 1049 I C 2.228 178.385 176.117 0.066 0.000 1.081 1049 I CA 1.344 62.681 61.300 0.061 0.000 1.353 1049 I CB -0.221 37.793 38.000 0.023 0.000 1.054 1049 I HN 0.136 nan 8.210 nan 0.000 0.407 1050 L N -0.684 120.576 121.223 0.062 0.000 2.131 1050 L HA -0.260 4.080 4.340 0.000 0.000 0.210 1050 L C 2.622 179.532 176.870 0.068 0.000 1.092 1050 L CA 1.277 56.151 54.840 0.056 0.000 0.759 1050 L CB -0.727 41.360 42.059 0.047 0.000 0.903 1050 L HN 0.304 nan 8.230 nan 0.000 0.435 1051 Y N 0.895 121.150 120.300 -0.075 0.000 2.220 1051 Y HA -0.090 4.460 4.550 0.000 0.000 0.291 1051 Y C 2.331 178.208 175.900 -0.039 0.000 1.129 1051 Y CA 1.288 59.323 58.100 -0.108 0.000 1.161 1051 Y CB -0.556 37.749 38.460 -0.258 0.000 0.997 1051 Y HN 0.034 nan 8.280 nan 0.000 0.522 1052 G N 0.135 108.903 108.800 -0.053 0.000 2.443 1052 G HA2 -0.176 3.784 3.960 0.000 0.000 0.219 1052 G HA3 -0.176 3.784 3.960 0.000 0.000 0.219 1052 G C 1.697 176.593 174.900 -0.007 0.000 1.131 1052 G CA 0.830 45.954 45.100 0.041 0.000 0.775 1052 G HN 0.439 nan 8.290 nan 0.000 0.547 1053 L N 0.336 121.559 121.223 -0.001 0.000 2.056 1053 L HA -0.088 4.252 4.340 0.000 0.000 0.207 1053 L C 2.744 179.594 176.870 -0.034 0.000 1.078 1053 L CA 1.171 56.014 54.840 0.005 0.000 0.749 1053 L CB -0.402 41.672 42.059 0.025 0.000 0.901 1053 L HN 0.324 nan 8.230 nan 0.000 0.433 1054 N N -0.059 118.594 118.700 -0.077 0.000 2.106 1054 N HA -0.200 4.540 4.740 0.000 0.000 0.188 1054 N C 1.655 177.083 175.510 -0.137 0.000 1.029 1054 N CA 1.061 54.059 53.050 -0.088 0.000 0.848 1054 N CB 0.204 38.651 38.487 -0.067 0.000 1.007 1054 N HN 0.223 nan 8.380 nan 0.000 0.423 1055 E N 0.916 120.952 120.200 -0.273 0.000 2.153 1055 E HA -0.122 4.228 4.350 0.000 0.000 0.194 1055 E C 1.326 177.875 176.600 -0.084 0.000 0.988 1055 E CA 0.934 57.198 56.400 -0.227 0.000 0.811 1055 E CB -0.134 29.368 29.700 -0.330 0.000 0.746 1055 E HN 0.583 nan 8.360 nan 0.000 0.466 1056 Q N -0.693 119.075 119.800 -0.054 0.000 2.320 1056 Q HA 0.188 4.528 4.340 0.000 0.000 0.201 1056 Q C 0.472 176.466 176.000 -0.010 0.000 0.910 1056 Q CA 0.320 56.114 55.803 -0.014 0.000 0.946 1056 Q CB 0.653 29.395 28.738 0.008 0.000 1.062 1056 Q HN 0.259 nan 8.270 nan 0.000 0.503 1057 G N 2.185 110.973 108.800 -0.020 0.000 2.338 1057 G HA2 -0.274 3.686 3.960 0.000 0.000 0.296 1057 G HA3 -0.274 3.686 3.960 0.000 0.000 0.296 1057 G C 0.183 175.080 174.900 -0.005 0.000 1.040 1057 G CA 0.168 45.262 45.100 -0.011 0.000 1.004 1057 G HN 0.319 nan 8.290 nan 0.000 0.509 1058 M N 2.086 121.684 119.600 -0.003 0.000 3.652 1058 M HA 0.146 4.626 4.480 0.000 0.000 0.208 1058 M C 1.254 177.547 176.300 -0.011 0.000 1.307 1058 M CA 0.318 55.618 55.300 0.000 0.000 1.524 1058 M CB -0.479 32.135 32.600 0.022 0.000 1.067 1058 M HN 0.437 nan 8.290 nan 0.000 0.590 1059 T N -2.250 112.294 114.554 -0.016 0.000 2.813 1059 T HA 0.205 4.556 4.350 0.000 0.000 0.297 1059 T C -1.921 172.753 174.700 -0.044 0.000 1.036 1059 T CA -1.312 60.778 62.100 -0.017 0.000 1.044 1059 T CB 0.442 69.306 68.868 -0.006 0.000 0.993 1059 T HN 0.143 nan 8.240 nan 0.000 0.535 1060 P HA -0.044 nan 4.420 nan 0.000 0.222 1060 P C 1.167 178.416 177.300 -0.084 0.000 1.147 1060 P CA 0.785 63.845 63.100 -0.066 0.000 0.790 1060 P CB -0.030 31.662 31.700 -0.013 0.000 0.780 1061 D N -1.339 119.031 120.400 -0.051 0.000 2.323 1061 D HA -0.035 4.605 4.640 0.000 0.000 0.209 1061 D C 0.538 176.804 176.300 -0.057 0.000 0.973 1061 D CA 0.647 54.620 54.000 -0.044 0.000 0.874 1061 D CB 0.057 40.846 40.800 -0.019 0.000 0.930 1061 D HN 0.190 nan 8.370 nan 0.000 0.521 1062 K N 1.032 121.392 120.400 -0.067 0.000 2.177 1062 K HA 0.308 4.628 4.320 0.000 0.000 0.238 1062 K C 0.511 177.046 176.600 -0.108 0.000 1.015 1062 K CA -0.620 55.630 56.287 -0.061 0.000 0.922 1062 K CB 1.504 33.984 32.500 -0.035 0.000 1.127 1062 K HN 0.036 nan 8.250 nan 0.000 0.469 1063 S N 0.054 115.715 115.700 -0.066 0.000 2.593 1063 S HA 0.104 4.574 4.470 0.000 0.000 0.269 1063 S C -0.207 174.360 174.600 -0.054 0.000 1.334 1063 S CA -0.510 57.653 58.200 -0.062 0.000 1.015 1063 S CB 0.034 63.248 63.200 0.023 0.000 0.912 1063 S HN 0.324 nan 8.310 nan 0.000 0.541 1064 Y N 1.577 121.901 120.300 0.041 0.000 2.712 1064 Y HA 0.227 4.777 4.550 -0.000 0.000 0.333 1064 Y C 1.098 177.032 175.900 0.057 0.000 1.225 1064 Y CA 0.378 58.510 58.100 0.053 0.000 1.499 1064 Y CB 0.530 39.029 38.460 0.065 0.000 1.288 1064 Y HN 0.472 nan 8.280 nan 0.000 0.575 1065 K N 2.662 123.196 120.400 0.223 0.000 2.156 1065 K HA 0.312 4.632 4.320 0.000 0.000 0.254 1065 K C -0.346 176.348 176.600 0.158 0.000 0.950 1065 K CA -1.448 54.929 56.287 0.150 0.000 0.849 1065 K CB 1.710 34.272 32.500 0.102 0.000 1.100 1065 K HN 0.383 nan 8.250 nan 0.000 0.434 1066 K N 0.570 121.038 120.400 0.113 0.000 2.469 1066 K HA 0.010 4.330 4.320 0.000 0.000 0.274 1066 K C 1.121 177.770 176.600 0.083 0.000 0.983 1066 K CA 0.539 56.882 56.287 0.092 0.000 0.974 1066 K CB 0.306 32.836 32.500 0.051 0.000 0.913 1066 K HN 0.482 nan 8.250 nan 0.000 0.493 1067 S N 2.042 117.790 115.700 0.079 0.000 2.368 1067 S HA -0.200 4.270 4.470 0.000 0.000 0.225 1067 S C 1.700 176.296 174.600 -0.008 0.000 1.030 1067 S CA 1.438 59.689 58.200 0.085 0.000 0.999 1067 S CB -0.256 63.014 63.200 0.116 0.000 0.844 1067 S HN 0.713 nan 8.310 nan 0.000 0.459 1068 A N 1.359 124.123 122.820 -0.094 0.000 1.986 1068 A HA -0.165 4.155 4.320 0.000 0.000 0.220 1068 A C 2.001 179.565 177.584 -0.033 0.000 1.171 1068 A CA 1.761 53.734 52.037 -0.106 0.000 0.640 1068 A CB -0.545 18.375 19.000 -0.132 0.000 0.811 1068 A HN 0.472 nan 8.150 nan 0.000 0.451 1069 R N -0.763 119.737 120.500 -0.000 0.000 2.237 1069 R HA 0.010 4.350 4.340 0.000 0.000 0.219 1069 R C 1.324 177.647 176.300 0.039 0.000 1.080 1069 R CA 1.328 57.440 56.100 0.020 0.000 0.995 1069 R CB -0.240 30.080 30.300 0.033 0.000 0.875 1069 R HN 0.618 nan 8.270 nan 0.000 0.462 1070 I N -1.713 118.891 120.570 0.055 0.000 3.039 1070 I HA -0.069 4.101 4.170 0.000 0.000 0.270 1070 I C 1.909 178.077 176.117 0.084 0.000 1.150 1070 I CA 0.074 61.422 61.300 0.081 0.000 1.448 1070 I CB 0.027 38.090 38.000 0.105 0.000 1.197 1070 I HN -0.139 nan 8.210 nan 0.000 0.450 1071 V N 1.568 121.524 119.914 0.069 0.000 2.252 1071 V HA -0.279 3.841 4.120 0.000 0.000 0.249 1071 V C 2.626 178.748 176.094 0.046 0.000 1.056 1071 V CA 2.525 64.862 62.300 0.061 0.000 1.022 1071 V CB -1.510 30.323 31.823 0.018 0.000 0.641 1071 V HN 0.592 nan 8.190 nan 0.000 0.445 1072 G N -0.837 107.974 108.800 0.017 0.000 2.442 1072 G HA2 -0.342 3.618 3.960 0.000 0.000 0.219 1072 G HA3 -0.342 3.618 3.960 0.000 0.000 0.219 1072 G C 1.308 176.218 174.900 0.018 0.000 1.141 1072 G CA 1.261 46.366 45.100 0.008 0.000 0.763 1072 G HN 0.585 nan 8.290 nan 0.000 0.554 1073 D N -0.279 120.140 120.400 0.032 0.000 2.084 1073 D HA -0.093 4.547 4.640 0.000 0.000 0.196 1073 D C 2.690 179.005 176.300 0.024 0.000 0.985 1073 D CA 1.024 55.039 54.000 0.024 0.000 0.826 1073 D CB -0.172 40.661 40.800 0.054 0.000 0.978 1073 D HN 0.103 nan 8.370 nan 0.000 0.456 1074 V N 0.938 120.932 119.914 0.133 0.000 2.332 1074 V HA -0.268 3.852 4.120 0.000 0.000 0.248 1074 V C 2.504 178.709 176.094 0.184 0.000 1.055 1074 V CA 1.978 64.439 62.300 0.268 0.000 1.038 1074 V CB -0.624 31.367 31.823 0.279 0.000 0.651 1074 V HN 0.412 nan 8.190 nan 0.000 0.450 1075 M N 0.532 120.206 119.600 0.124 0.000 2.159 1075 M HA -0.103 4.377 4.480 0.000 0.000 0.263 1075 M C 1.877 178.206 176.300 0.048 0.000 1.063 1075 M CA 2.370 57.734 55.300 0.106 0.000 1.110 1075 M CB -0.467 32.174 32.600 0.069 0.000 1.374 1075 M HN 0.373 nan 8.290 nan 0.000 0.411 1076 G N -0.044 108.770 108.800 0.024 0.000 2.551 1076 G HA2 -0.052 3.908 3.960 0.000 0.000 0.216 1076 G HA3 -0.052 3.908 3.960 0.000 0.000 0.216 1076 G C 1.483 176.417 174.900 0.056 0.000 1.137 1076 G CA 0.224 45.343 45.100 0.031 0.000 0.798 1076 G HN 0.465 nan 8.290 nan 0.000 0.536 1077 K N -1.398 118.938 120.400 -0.106 0.000 2.387 1077 K HA 0.220 4.540 4.320 0.000 0.000 0.197 1077 K C 1.176 177.645 176.600 -0.219 0.000 1.127 1077 K CA 0.287 56.364 56.287 -0.350 0.000 0.950 1077 K CB 0.464 32.429 32.500 -0.891 0.000 1.017 1077 K HN 0.387 nan 8.250 nan 0.000 0.519 1078 Y N -1.621 118.890 120.300 0.351 0.000 2.572 1078 Y HA 0.244 4.794 4.550 0.000 0.000 0.274 1078 Y C 0.724 176.800 175.900 0.293 0.000 1.135 1078 Y CA -0.127 58.181 58.100 0.347 0.000 1.230 1078 Y CB 0.587 39.212 38.460 0.275 0.000 1.293 1078 Y HN -0.027 nan 8.280 nan 0.000 0.501 1079 H N 2.684 121.876 119.070 0.203 0.000 2.607 1079 H HA 0.261 4.817 4.556 0.000 0.000 0.248 1079 H C -2.735 172.598 175.328 0.008 0.000 1.355 1079 H CA -1.920 54.198 56.048 0.116 0.000 1.524 1079 H CB 1.659 31.513 29.762 0.154 0.000 1.563 1079 H HN -0.050 nan 8.280 nan 0.000 0.509 1080 P HA 0.121 nan 4.420 nan 0.000 0.225 1080 P C -0.618 176.351 177.300 -0.553 0.000 1.768 1080 P CA 0.098 62.892 63.100 -0.510 0.000 0.943 1080 P CB -0.179 30.924 31.700 -0.995 0.000 1.936 1081 H N -0.832 118.184 119.070 -0.090 0.000 2.949 1081 H HA 0.557 5.113 4.556 0.000 0.000 0.310 1081 H C 0.944 176.283 175.328 0.017 0.000 1.405 1081 H CA -0.502 55.526 56.048 -0.033 0.000 1.253 1081 H CB -0.001 29.759 29.762 -0.003 0.000 1.932 1081 H HN 0.041 nan 8.280 nan 0.000 0.602 1082 G N 0.462 109.359 108.800 0.162 0.000 2.368 1082 G HA2 -0.107 3.853 3.960 0.000 0.000 0.233 1082 G HA3 -0.107 3.853 3.960 0.000 0.000 0.233 1082 G C 0.769 175.723 174.900 0.091 0.000 1.267 1082 G CA 0.343 45.496 45.100 0.088 0.000 0.873 1082 G HN 0.862 nan 8.290 nan 0.000 0.539 1083 D N 1.474 121.906 120.400 0.053 0.000 2.158 1083 D HA -0.265 4.375 4.640 0.000 0.000 0.197 1083 D C 2.337 178.685 176.300 0.081 0.000 0.995 1083 D CA 1.669 55.699 54.000 0.049 0.000 0.846 1083 D CB -0.632 40.166 40.800 -0.004 0.000 0.941 1083 D HN 0.489 nan 8.370 nan 0.000 0.456 1084 S N 1.296 117.040 115.700 0.073 0.000 2.372 1084 S HA -0.246 4.224 4.470 0.000 0.000 0.227 1084 S C 2.252 176.898 174.600 0.076 0.000 1.044 1084 S CA 1.913 60.166 58.200 0.089 0.000 1.050 1084 S CB -0.893 62.342 63.200 0.058 0.000 0.901 1084 S HN 0.371 nan 8.310 nan 0.000 0.447 1085 S N 2.553 118.286 115.700 0.056 0.000 2.382 1085 S HA 0.062 4.532 4.470 0.000 0.000 0.228 1085 S C 1.910 176.487 174.600 -0.039 0.000 1.027 1085 S CA 1.473 59.680 58.200 0.012 0.000 0.991 1085 S CB -0.651 62.569 63.200 0.033 0.000 0.823 1085 S HN 0.594 nan 8.310 nan 0.000 0.469 1086 I N -0.226 120.341 120.570 -0.005 0.000 2.277 1086 I HA -0.103 4.067 4.170 0.000 0.000 0.243 1086 I C 2.406 178.549 176.117 0.043 0.000 1.094 1086 I CA 1.247 62.523 61.300 -0.039 0.000 1.393 1086 I CB -0.486 37.525 38.000 0.017 0.000 1.078 1086 I HN 0.187 nan 8.210 nan 0.000 0.417 1087 Y N 2.459 122.735 120.300 -0.040 0.000 2.181 1087 Y HA -0.228 4.322 4.550 0.000 0.000 0.288 1087 Y C 2.509 178.395 175.900 -0.023 0.000 1.146 1087 Y CA 1.509 59.591 58.100 -0.029 0.000 1.164 1087 Y CB -0.226 38.210 38.460 -0.039 0.000 0.982 1087 Y HN 0.112 nan 8.280 nan 0.000 0.515 1088 E N 0.294 120.448 120.200 -0.076 0.000 2.058 1088 E HA -0.193 4.157 4.350 0.000 0.000 0.194 1088 E C 2.463 178.997 176.600 -0.109 0.000 0.997 1088 E CA 1.358 57.675 56.400 -0.140 0.000 0.801 1088 E CB -1.047 28.623 29.700 -0.049 0.000 0.746 1088 E HN 0.507 nan 8.360 nan 0.000 0.450 1089 A N 1.142 123.903 122.820 -0.098 0.000 1.972 1089 A HA -0.125 4.195 4.320 0.000 0.000 0.219 1089 A C 2.175 179.727 177.584 -0.053 0.000 1.169 1089 A CA 1.659 53.626 52.037 -0.117 0.000 0.635 1089 A CB -0.463 18.319 19.000 -0.364 0.000 0.810 1089 A HN 0.253 nan 8.150 nan 0.000 0.446 1090 M N -0.352 119.210 119.600 -0.063 0.000 2.156 1090 M HA -0.078 4.402 4.480 0.000 0.000 0.264 1090 M C 1.937 178.235 176.300 -0.003 0.000 1.067 1090 M CA 1.586 56.883 55.300 -0.004 0.000 1.131 1090 M CB -0.275 32.365 32.600 0.067 0.000 1.368 1090 M HN 0.222 nan 8.290 nan 0.000 0.416 1091 V N 0.940 120.787 119.914 -0.112 0.000 2.282 1091 V HA -0.303 3.817 4.120 0.000 0.000 0.249 1091 V C 2.486 178.597 176.094 0.028 0.000 1.057 1091 V CA 2.214 64.492 62.300 -0.036 0.000 1.032 1091 V CB -0.990 30.654 31.823 -0.297 0.000 0.645 1091 V HN 0.499 nan 8.190 nan 0.000 0.447 1092 R N 0.007 120.513 120.500 0.010 0.000 2.117 1092 R HA -0.122 4.218 4.340 0.000 0.000 0.243 1092 R C 2.089 178.410 176.300 0.036 0.000 1.143 1092 R CA 1.914 58.063 56.100 0.081 0.000 0.968 1092 R CB -0.576 29.843 30.300 0.198 0.000 0.863 1092 R HN 0.507 nan 8.270 nan 0.000 0.444 1093 M N -0.991 118.510 119.600 -0.166 0.000 2.630 1093 M HA 0.041 4.521 4.480 0.000 0.000 0.254 1093 M C 1.340 177.375 176.300 -0.442 0.000 1.092 1093 M CA 1.194 56.056 55.300 -0.731 0.000 1.087 1093 M CB 0.225 32.511 32.600 -0.523 0.000 1.453 1093 M HN 0.240 nan 8.290 nan 0.000 0.509 1094 A N -0.532 122.169 122.820 -0.198 0.000 2.348 1094 A HA 0.148 4.468 4.320 0.000 0.000 0.224 1094 A C 0.431 177.897 177.584 -0.196 0.000 1.227 1094 A CA -0.184 51.739 52.037 -0.191 0.000 0.885 1094 A CB 0.113 18.985 19.000 -0.213 0.000 0.933 1094 A HN 0.399 nan 8.150 nan 0.000 0.506 1095 Q N 1.132 120.814 119.800 -0.197 0.000 2.331 1095 Q HA 0.166 4.506 4.340 0.000 0.000 0.257 1095 Q C -0.104 175.715 176.000 -0.303 0.000 0.957 1095 Q CA -0.443 55.138 55.803 -0.370 0.000 0.923 1095 Q CB 1.257 29.470 28.738 -0.876 0.000 1.212 1095 Q HN 0.536 nan 8.270 nan 0.000 0.443 1096 D N 2.615 122.942 120.400 -0.121 0.000 2.203 1096 D HA -0.238 4.402 4.640 0.000 0.000 0.199 1096 D C 1.065 177.405 176.300 0.067 0.000 0.997 1096 D CA 1.492 55.495 54.000 0.005 0.000 0.863 1096 D CB -0.284 40.564 40.800 0.081 0.000 0.928 1096 D HN 0.664 nan 8.370 nan 0.000 0.458 1097 F N -1.211 118.804 119.950 0.109 0.000 2.732 1097 F HA 0.504 5.031 4.527 0.000 0.000 0.303 1097 F C 1.635 177.590 175.800 0.257 0.000 1.110 1097 F CA -0.518 57.571 58.000 0.148 0.000 1.355 1097 F CB 0.244 39.312 39.000 0.113 0.000 1.081 1097 F HN -0.179 nan 8.300 nan 0.000 0.565 1098 S N -1.765 113.856 115.700 -0.132 0.000 2.731 1098 S HA 0.212 4.682 4.470 0.000 0.000 0.244 1098 S C -0.611 174.098 174.600 0.182 0.000 1.084 1098 S CA -0.045 58.204 58.200 0.082 0.000 0.877 1098 S CB 0.074 63.209 63.200 -0.108 0.000 0.798 1098 S HN 0.225 nan 8.310 nan 0.000 0.496 1099 Y N 2.124 122.416 120.300 -0.015 0.000 2.335 1099 Y HA 0.465 5.015 4.550 0.000 0.000 0.338 1099 Y C 1.201 177.053 175.900 -0.079 0.000 0.977 1099 Y CA -1.096 57.005 58.100 0.003 0.000 1.114 1099 Y CB 0.814 39.274 38.460 -0.001 0.000 1.182 1099 Y HN -0.087 nan 8.280 nan 0.000 0.463 1100 R N 2.053 122.525 120.500 -0.047 0.000 2.200 1100 R HA -0.129 4.211 4.340 0.000 0.000 0.234 1100 R C -0.789 175.112 176.300 -0.664 0.000 1.127 1100 R CA 1.296 57.205 56.100 -0.318 0.000 0.989 1100 R CB 0.012 30.163 30.300 -0.249 0.000 0.869 1100 R HN 0.678 nan 8.270 nan 0.000 0.459 1101 Y N -0.520 119.824 120.300 0.073 0.000 2.516 1101 Y HA 0.298 4.848 4.550 0.000 0.000 0.329 1101 Y C -2.310 173.634 175.900 0.073 0.000 1.095 1101 Y CA -2.720 55.390 58.100 0.016 0.000 1.213 1101 Y CB 1.108 39.497 38.460 -0.118 0.000 1.109 1101 Y HN -0.081 nan 8.280 nan 0.000 0.630 1102 P HA -0.040 nan 4.420 nan 0.000 0.263 1102 P C 0.573 177.855 177.300 -0.030 0.000 1.162 1102 P CA 0.839 63.935 63.100 -0.008 0.000 0.758 1102 P CB 0.893 32.569 31.700 -0.041 0.000 0.773 1103 L N 1.915 123.047 121.223 -0.152 0.000 2.556 1103 L HA 0.148 4.488 4.340 0.000 0.000 0.226 1103 L C 0.597 177.427 176.870 -0.066 0.000 1.089 1103 L CA 0.172 54.966 54.840 -0.076 0.000 0.864 1103 L CB 0.159 42.157 42.059 -0.102 0.000 1.067 1103 L HN 0.126 nan 8.230 nan 0.000 0.477 1104 V N -0.101 119.750 119.914 -0.105 0.000 2.581 1104 V HA 0.278 4.398 4.120 0.000 0.000 0.303 1104 V C -0.886 175.178 176.094 -0.050 0.000 1.041 1104 V CA -0.648 61.624 62.300 -0.047 0.000 0.907 1104 V CB 2.345 34.150 31.823 -0.029 0.000 0.994 1104 V HN -0.027 nan 8.190 nan 0.000 0.442 1105 D N 3.077 123.487 120.400 0.017 0.000 2.473 1105 D HA 0.459 5.099 4.640 0.000 0.000 0.226 1105 D C 0.215 176.575 176.300 0.099 0.000 1.089 1105 D CA -0.022 54.014 54.000 0.059 0.000 0.883 1105 D CB 1.274 42.152 40.800 0.129 0.000 1.029 1105 D HN 0.673 nan 8.370 nan 0.000 0.517 1106 G N 2.307 110.952 108.800 -0.258 0.000 2.412 1106 G HA2 0.476 4.436 3.960 0.000 0.000 0.318 1106 G HA3 0.476 4.436 3.960 0.000 0.000 0.318 1106 G C -0.791 173.777 174.900 -0.552 0.000 1.146 1106 G CA -0.585 44.160 45.100 -0.593 0.000 0.882 1106 G HN 0.465 nan 8.290 nan 0.000 0.501 1107 Q N 0.365 119.957 119.800 -0.347 0.000 2.292 1107 Q HA 0.571 4.911 4.340 0.000 0.000 0.270 1107 Q C 0.084 176.170 176.000 0.142 0.000 1.024 1107 Q CA 0.180 55.797 55.803 -0.310 0.000 0.768 1107 Q CB 1.492 29.752 28.738 -0.797 0.000 1.250 1107 Q HN 1.490 nan 8.270 nan 0.000 0.447 1108 G N 2.854 111.756 108.800 0.170 0.000 2.342 1108 G HA2 -0.205 3.755 3.960 0.000 0.000 0.220 1108 G HA3 -0.205 3.755 3.960 0.000 0.000 0.220 1108 G C -1.379 173.728 174.900 0.345 0.000 1.243 1108 G CA -0.558 44.679 45.100 0.229 0.000 1.083 1108 G HN 0.750 nan 8.290 nan 0.000 0.500 1109 N N -0.053 118.779 118.700 0.220 0.000 2.422 1109 N HA 0.522 5.262 4.740 0.000 0.000 0.264 1109 N C -0.532 175.061 175.510 0.138 0.000 1.063 1109 N CA -0.311 52.850 53.050 0.186 0.000 0.959 1109 N CB 0.171 38.706 38.487 0.081 0.000 1.087 1109 N HN 0.310 nan 8.380 nan 0.000 0.483 1110 F N 2.679 122.672 119.950 0.072 0.000 2.814 1110 F HA 0.343 4.870 4.527 0.000 0.000 0.326 1110 F C 1.068 176.933 175.800 0.108 0.000 1.159 1110 F CA 0.199 58.238 58.000 0.064 0.000 1.234 1110 F CB 0.556 39.581 39.000 0.043 0.000 1.016 1110 F HN 0.747 nan 8.300 nan 0.000 0.510 1111 G N 0.998 109.923 108.800 0.209 0.000 2.615 1111 G HA2 0.129 4.089 3.960 0.000 0.000 0.218 1111 G HA3 0.129 4.089 3.960 0.000 0.000 0.218 1111 G C -0.370 174.652 174.900 0.202 0.000 1.339 1111 G CA -0.406 44.806 45.100 0.187 0.000 0.884 1111 G HN 0.993 nan 8.290 nan 0.000 0.559 1112 S N -2.520 113.252 115.700 0.120 0.000 2.636 1112 S HA 0.600 5.070 4.470 0.000 0.000 0.266 1112 S C 1.017 175.331 174.600 -0.477 0.000 1.147 1112 S CA 0.285 58.359 58.200 -0.211 0.000 0.815 1112 S CB 0.899 64.017 63.200 -0.137 0.000 1.119 1112 S HN 1.068 nan 8.310 nan 0.000 0.470 1113 M N 0.936 120.064 119.600 -0.786 0.000 2.358 1113 M HA -0.038 4.442 4.480 0.000 0.000 0.264 1113 M C 0.196 176.367 176.300 -0.216 0.000 1.064 1113 M CA 1.262 56.230 55.300 -0.553 0.000 1.093 1113 M CB -0.785 31.546 32.600 -0.449 0.000 1.401 1113 M HN 0.609 nan 8.290 nan 0.000 0.440 1114 D N 0.188 120.488 120.400 -0.167 0.000 2.349 1114 D HA 0.107 4.747 4.640 0.000 0.000 0.224 1114 D C 1.357 177.629 176.300 -0.048 0.000 1.029 1114 D CA 0.688 54.637 54.000 -0.086 0.000 0.879 1114 D CB -0.110 40.648 40.800 -0.070 0.000 0.906 1114 D HN 0.507 nan 8.370 nan 0.000 0.528 1115 G N 1.309 110.089 108.800 -0.033 0.000 2.160 1115 G HA2 -0.257 3.703 3.960 0.000 0.000 0.251 1115 G HA3 -0.257 3.703 3.960 0.000 0.000 0.251 1115 G C -0.165 174.744 174.900 0.014 0.000 1.008 1115 G CA -0.220 44.885 45.100 0.009 0.000 0.724 1115 G HN 0.214 nan 8.290 nan 0.000 0.514 1116 D N 0.744 121.148 120.400 0.007 0.000 2.488 1116 D HA 0.401 5.041 4.640 0.000 0.000 0.238 1116 D C 1.335 177.660 176.300 0.042 0.000 1.138 1116 D CA 1.223 55.234 54.000 0.018 0.000 0.873 1116 D CB 0.888 41.696 40.800 0.013 0.000 1.183 1116 D HN 0.433 nan 8.370 nan 0.000 0.458 1117 G N 0.362 109.182 108.800 0.033 0.000 2.599 1117 G HA2 0.474 4.434 3.960 0.000 0.000 0.264 1117 G HA3 0.474 4.434 3.960 0.000 0.000 0.264 1117 G C -0.329 174.589 174.900 0.029 0.000 1.200 1117 G CA -0.304 44.815 45.100 0.032 0.000 0.896 1117 G HN 0.541 nan 8.290 nan 0.000 0.536 1118 A N -0.411 122.405 122.820 -0.007 0.000 2.279 1118 A HA 0.795 5.115 4.320 0.000 0.000 0.303 1118 A C 0.825 178.414 177.584 0.008 0.000 1.108 1118 A CA 0.197 52.193 52.037 -0.068 0.000 0.830 1118 A CB 0.585 19.413 19.000 -0.286 0.000 1.106 1118 A HN 1.690 nan 8.150 nan 0.000 0.493 1119 A N 0.337 123.151 122.820 -0.010 0.000 2.346 1119 A HA 0.584 4.904 4.320 0.000 0.000 0.255 1119 A C 0.967 178.618 177.584 0.111 0.000 1.113 1119 A CA 0.186 52.270 52.037 0.079 0.000 0.798 1119 A CB -0.507 18.553 19.000 0.100 0.000 1.073 1119 A HN 2.290 nan 8.150 nan 0.000 0.502 1120 A N 0.148 123.020 122.820 0.087 0.000 2.520 1120 A HA 0.342 4.662 4.320 0.000 0.000 0.235 1120 A C 1.336 178.742 177.584 -0.296 0.000 1.065 1120 A CA 0.529 52.481 52.037 -0.141 0.000 0.764 1120 A CB -0.436 18.366 19.000 -0.330 0.000 1.002 1120 A HN 1.311 nan 8.150 nan 0.000 0.502 1121 M N 2.156 121.378 119.600 -0.631 0.000 2.358 1121 M HA -0.100 4.380 4.480 0.000 0.000 0.264 1121 M C 1.606 177.679 176.300 -0.377 0.000 1.064 1121 M CA 2.079 56.887 55.300 -0.821 0.000 1.093 1121 M CB -0.377 31.558 32.600 -1.109 0.000 1.401 1121 M HN 0.788 nan 8.290 nan 0.000 0.440 1122 R N -0.807 119.468 120.500 -0.376 0.000 2.310 1122 R HA 0.014 4.354 4.340 0.000 0.000 0.202 1122 R C 0.311 176.518 176.300 -0.156 0.000 0.933 1122 R CA 0.378 56.307 56.100 -0.284 0.000 1.054 1122 R CB -0.073 30.012 30.300 -0.358 0.000 0.985 1122 R HN 0.362 nan 8.270 nan 0.000 0.489 1123 Y N 1.241 121.498 120.300 -0.072 0.000 2.594 1123 Y HA 0.127 4.677 4.550 0.000 0.000 0.283 1123 Y C 1.146 177.042 175.900 -0.008 0.000 1.140 1123 Y CA 0.271 58.351 58.100 -0.034 0.000 1.261 1123 Y CB -0.320 38.119 38.460 -0.035 0.000 1.358 1123 Y HN 0.038 nan 8.280 nan 0.000 0.513 1124 T N 0.550 115.194 114.554 0.150 0.000 2.918 1124 T HA 0.323 4.673 4.350 0.000 0.000 0.302 1124 T C -0.201 174.612 174.700 0.188 0.000 1.045 1124 T CA -0.545 61.639 62.100 0.139 0.000 1.114 1124 T CB 1.371 70.194 68.868 -0.075 0.000 0.965 1124 T HN 0.140 nan 8.240 nan 0.000 0.540 1125 E N 0.527 120.862 120.200 0.226 0.000 2.221 1125 E HA 0.662 5.012 4.350 0.000 0.000 0.268 1125 E C -0.773 175.994 176.600 0.279 0.000 0.933 1125 E CA -1.381 55.135 56.400 0.193 0.000 0.809 1125 E CB 2.139 31.889 29.700 0.083 0.000 1.190 1125 E HN 0.930 nan 8.360 nan 0.000 0.406 1126 A N 1.850 124.877 122.820 0.344 0.000 2.574 1126 A HA 0.756 5.076 4.320 0.000 0.000 0.297 1126 A C -1.081 176.705 177.584 0.336 0.000 1.062 1126 A CA -0.838 51.416 52.037 0.362 0.000 0.686 1126 A CB 1.564 20.755 19.000 0.318 0.000 1.285 1126 A HN 0.750 nan 8.150 nan 0.000 0.403 1127 R N 0.582 121.240 120.500 0.264 0.000 2.766 1127 R HA 0.749 5.089 4.340 0.000 0.000 0.270 1127 R C -0.804 175.530 176.300 0.056 0.000 1.035 1127 R CA -0.930 55.230 56.100 0.099 0.000 0.911 1127 R CB 0.808 31.070 30.300 -0.062 0.000 1.243 1127 R HN 0.568 nan 8.270 nan 0.000 0.460 1128 M N 1.312 120.922 119.600 0.016 0.000 2.249 1128 M HA 0.096 4.577 4.480 0.000 0.000 0.340 1128 M C -0.292 176.015 176.300 0.013 0.000 1.166 1128 M CA 0.684 55.993 55.300 0.016 0.000 1.115 1128 M CB 1.096 33.704 32.600 0.012 0.000 1.606 1128 M HN 0.651 nan 8.290 nan 0.000 0.448 1129 T N 3.314 117.881 114.554 0.020 0.000 2.910 1129 T HA 0.149 4.499 4.350 0.000 0.000 0.293 1129 T C 1.208 175.936 174.700 0.046 0.000 1.015 1129 T CA -0.438 61.681 62.100 0.030 0.000 1.094 1129 T CB 0.941 69.822 68.868 0.021 0.000 0.968 1129 T HN 0.590 nan 8.240 nan 0.000 0.521 1130 K N 2.038 122.493 120.400 0.092 0.000 2.103 1130 K HA -0.045 4.275 4.320 0.000 0.000 0.207 1130 K C 1.992 178.652 176.600 0.099 0.000 1.048 1130 K CA 1.021 57.405 56.287 0.163 0.000 0.930 1130 K CB -0.123 32.541 32.500 0.274 0.000 0.716 1130 K HN 0.535 nan 8.250 nan 0.000 0.444 1131 I N 1.275 121.775 120.570 -0.116 0.000 2.493 1131 I HA -0.222 3.948 4.170 0.000 0.000 0.254 1131 I C 1.469 177.513 176.117 -0.121 0.000 1.160 1131 I CA 1.139 62.080 61.300 -0.598 0.000 1.445 1131 I CB -0.014 37.560 38.000 -0.708 0.000 1.086 1131 I HN 0.158 nan 8.210 nan 0.000 0.433 1132 T N 1.334 115.887 114.554 -0.002 0.000 2.915 1132 T HA -0.106 4.244 4.350 0.000 0.000 0.269 1132 T C 1.806 176.527 174.700 0.035 0.000 1.071 1132 T CA 0.958 63.086 62.100 0.047 0.000 1.132 1132 T CB -0.152 68.735 68.868 0.032 0.000 0.878 1132 T HN 0.308 nan 8.240 nan 0.000 0.479 1133 L N 0.578 121.823 121.223 0.038 0.000 2.141 1133 L HA -0.041 4.299 4.340 0.000 0.000 0.209 1133 L C 2.547 179.451 176.870 0.056 0.000 1.094 1133 L CA 0.979 55.851 54.840 0.053 0.000 0.763 1133 L CB -0.344 41.761 42.059 0.077 0.000 0.908 1133 L HN 0.085 nan 8.230 nan 0.000 0.437 1134 E N -0.359 119.877 120.200 0.060 0.000 2.418 1134 E HA -0.121 4.229 4.350 0.000 0.000 0.197 1134 E C 1.758 178.368 176.600 0.017 0.000 1.026 1134 E CA 0.525 56.974 56.400 0.082 0.000 0.862 1134 E CB 0.058 29.836 29.700 0.129 0.000 0.799 1134 E HN 0.187 nan 8.360 nan 0.000 0.518 1135 L N -1.021 120.190 121.223 -0.022 0.000 2.354 1135 L HA 0.164 4.504 4.340 0.000 0.000 0.212 1135 L C 1.106 177.943 176.870 -0.055 0.000 1.091 1135 L CA 0.960 55.726 54.840 -0.123 0.000 0.828 1135 L CB 0.288 42.266 42.059 -0.136 0.000 0.973 1135 L HN 0.079 nan 8.230 nan 0.000 0.461 1136 L N -1.081 120.139 121.223 -0.005 0.000 2.857 1136 L HA 0.263 4.603 4.340 0.000 0.000 0.249 1136 L C 0.741 177.628 176.870 0.028 0.000 1.172 1136 L CA -0.180 54.673 54.840 0.022 0.000 0.980 1136 L CB -0.096 41.991 42.059 0.047 0.000 1.299 1136 L HN -0.047 nan 8.230 nan 0.000 0.535 1137 R N 1.804 122.317 120.500 0.021 0.000 2.458 1137 R HA -0.037 4.303 4.340 0.000 0.000 0.303 1137 R C -0.210 176.096 176.300 0.011 0.000 1.013 1137 R CA 0.610 56.726 56.100 0.027 0.000 1.026 1137 R CB 0.175 30.498 30.300 0.038 0.000 0.948 1137 R HN 0.260 nan 8.270 nan 0.000 0.417 1138 D N 2.491 122.897 120.400 0.010 0.000 3.006 1138 D HA -0.270 4.370 4.640 0.000 0.000 0.205 1138 D C 0.952 177.238 176.300 -0.023 0.000 1.075 1138 D CA 1.037 55.026 54.000 -0.018 0.000 1.000 1138 D CB -1.083 39.701 40.800 -0.027 0.000 1.097 1138 D HN 0.672 nan 8.370 nan 0.000 0.426 1139 I N 0.463 121.049 120.570 0.026 0.000 2.399 1139 I HA -0.260 3.910 4.170 0.000 0.000 0.254 1139 I C 1.099 177.305 176.117 0.149 0.000 1.146 1139 I CA 1.475 62.823 61.300 0.081 0.000 1.412 1139 I CB 0.080 38.160 38.000 0.133 0.000 1.076 1139 I HN 0.011 nan 8.210 nan 0.000 0.432 1140 N N 1.197 119.931 118.700 0.057 0.000 2.276 1140 N HA 0.063 4.803 4.740 0.000 0.000 0.212 1140 N C 0.020 175.357 175.510 -0.288 0.000 1.127 1140 N CA 0.308 53.349 53.050 -0.016 0.000 0.834 1140 N CB 0.319 38.812 38.487 0.011 0.000 1.014 1140 N HN 0.354 nan 8.380 nan 0.000 0.491 1141 K N 0.846 121.005 120.400 -0.401 0.000 2.981 1141 K HA 0.055 4.375 4.320 0.000 0.000 0.213 1141 K C -0.518 175.680 176.600 -0.670 0.000 1.154 1141 K CA -0.269 55.418 56.287 -1.000 0.000 1.111 1141 K CB 0.274 32.435 32.500 -0.565 0.000 0.975 1141 K HN -0.098 nan 8.250 nan 0.000 0.462 1142 D N 1.160 121.361 120.400 -0.331 0.000 2.697 1142 D HA -0.181 4.459 4.640 0.000 0.000 0.235 1142 D C 0.624 176.925 176.300 0.002 0.000 1.167 1142 D CA 1.482 55.464 54.000 -0.031 0.000 0.656 1142 D CB -0.766 40.110 40.800 0.126 0.000 1.025 1142 D HN 0.520 nan 8.370 nan 0.000 0.419 1143 T N -2.561 111.987 114.554 -0.010 0.000 3.014 1143 T HA 0.238 4.588 4.350 0.000 0.000 0.250 1143 T C 1.166 175.853 174.700 -0.021 0.000 1.060 1143 T CA 0.289 62.369 62.100 -0.033 0.000 1.040 1143 T CB 0.265 69.092 68.868 -0.069 0.000 0.971 1143 T HN 0.501 nan 8.240 nan 0.000 0.497 1144 I N -0.830 119.753 120.570 0.022 0.000 2.894 1144 I HA 0.603 4.773 4.170 0.000 0.000 0.302 1144 I C -2.102 174.037 176.117 0.037 0.000 1.188 1144 I CA -1.186 60.110 61.300 -0.007 0.000 1.014 1144 I CB 2.026 39.973 38.000 -0.087 0.000 1.242 1144 I HN -0.229 nan 8.210 nan 0.000 0.430 1145 D N 4.810 125.218 120.400 0.013 0.000 2.348 1145 D HA 0.360 5.000 4.640 0.000 0.000 0.253 1145 D C -0.359 175.946 176.300 0.008 0.000 1.161 1145 D CA 0.494 54.536 54.000 0.070 0.000 0.876 1145 D CB 0.491 41.313 40.800 0.037 0.000 1.160 1145 D HN 0.271 nan 8.370 nan 0.000 0.459 1146 F N 1.518 121.441 119.950 -0.046 0.000 2.370 1146 F HA 0.426 4.953 4.527 0.000 0.000 0.319 1146 F C 1.051 176.827 175.800 -0.041 0.000 1.129 1146 F CA -0.780 57.180 58.000 -0.066 0.000 1.109 1146 F CB 0.623 39.590 39.000 -0.054 0.000 1.262 1146 F HN 0.220 nan 8.300 nan 0.000 0.534 1147 I N -2.161 118.482 120.570 0.121 0.000 3.264 1147 I HA 0.575 4.745 4.170 0.000 0.000 0.315 1147 I C -1.263 174.910 176.117 0.092 0.000 1.154 1147 I CA -1.146 60.199 61.300 0.076 0.000 0.962 1147 I CB 2.030 40.044 38.000 0.024 0.000 1.265 1147 I HN 0.193 nan 8.210 nan 0.000 0.463 1148 D N 3.008 123.448 120.400 0.066 0.000 2.341 1148 D HA 0.180 4.820 4.640 0.000 0.000 0.245 1148 D C -0.166 176.175 176.300 0.069 0.000 1.106 1148 D CA 0.113 54.148 54.000 0.058 0.000 0.905 1148 D CB 0.715 41.531 40.800 0.026 0.000 1.202 1148 D HN 0.634 nan 8.370 nan 0.000 0.426 1149 N N 1.168 119.909 118.700 0.068 0.000 2.381 1149 N HA -0.077 4.663 4.740 0.000 0.000 0.254 1149 N C 1.205 176.713 175.510 -0.005 0.000 1.264 1149 N CA -0.377 52.732 53.050 0.098 0.000 0.942 1149 N CB 0.214 38.771 38.487 0.116 0.000 1.190 1149 N HN 0.554 nan 8.380 nan 0.000 0.495 1150 Y N -0.803 119.534 120.300 0.061 0.000 2.271 1150 Y HA -0.214 4.336 4.550 0.000 0.000 0.284 1150 Y C 0.878 176.773 175.900 -0.009 0.000 1.189 1150 Y CA 1.916 60.027 58.100 0.019 0.000 1.229 1150 Y CB -0.517 37.947 38.460 0.007 0.000 0.973 1150 Y HN 0.629 nan 8.280 nan 0.000 0.537 1151 D N -1.974 118.006 120.400 -0.700 0.000 2.500 1151 D HA 0.212 4.852 4.640 0.000 0.000 0.217 1151 D C 1.727 177.856 176.300 -0.285 0.000 1.159 1151 D CA 0.395 54.099 54.000 -0.492 0.000 0.828 1151 D CB 0.224 40.604 40.800 -0.700 0.000 1.039 1151 D HN 0.485 nan 8.370 nan 0.000 0.512 1152 G N 0.975 109.638 108.800 -0.228 0.000 2.175 1152 G HA2 -0.295 3.665 3.960 0.000 0.000 0.244 1152 G HA3 -0.295 3.665 3.960 0.000 0.000 0.244 1152 G C 0.898 175.738 174.900 -0.099 0.000 0.982 1152 G CA 0.254 45.283 45.100 -0.119 0.000 0.641 1152 G HN 0.352 nan 8.290 nan 0.000 0.527 1153 N N 0.624 119.240 118.700 -0.140 0.000 2.353 1153 N HA 0.123 4.863 4.740 0.000 0.000 0.185 1153 N C 0.377 175.858 175.510 -0.048 0.000 1.098 1153 N CA 0.845 53.839 53.050 -0.093 0.000 0.872 1153 N CB 0.446 38.865 38.487 -0.114 0.000 0.970 1153 N HN 0.567 nan 8.380 nan 0.000 0.467 1154 E N 0.223 120.407 120.200 -0.026 0.000 2.445 1154 E HA 0.434 4.784 4.350 0.000 0.000 0.273 1154 E C -0.337 176.347 176.600 0.140 0.000 0.961 1154 E CA -0.576 55.867 56.400 0.073 0.000 0.807 1154 E CB 2.052 31.807 29.700 0.091 0.000 1.362 1154 E HN -0.141 nan 8.360 nan 0.000 0.453 1155 R N 1.105 121.752 120.500 0.244 0.000 2.621 1155 R HA 0.436 4.776 4.340 0.000 0.000 0.292 1155 R C -0.486 176.024 176.300 0.350 0.000 0.969 1155 R CA -0.519 55.739 56.100 0.264 0.000 0.887 1155 R CB 2.047 32.471 30.300 0.206 0.000 1.180 1155 R HN 0.683 nan 8.270 nan 0.000 0.450 1156 E N 1.878 122.187 120.200 0.181 0.000 2.356 1156 E HA 0.499 4.849 4.350 0.000 0.000 0.275 1156 E C -2.780 173.535 176.600 -0.475 0.000 0.904 1156 E CA -2.296 53.969 56.400 -0.225 0.000 0.757 1156 E CB 2.711 32.318 29.700 -0.155 0.000 1.232 1156 E HN 0.131 nan 8.360 nan 0.000 0.442 1157 P HA -0.050 nan 4.420 nan 0.000 0.271 1157 P C 0.602 177.613 177.300 -0.481 0.000 1.226 1157 P CA -0.120 62.415 63.100 -0.941 0.000 0.765 1157 P CB 1.381 32.519 31.700 -0.937 0.000 0.835 1158 S N 2.756 118.246 115.700 -0.351 0.000 2.428 1158 S HA 0.044 4.514 4.470 0.000 0.000 0.230 1158 S C 0.927 175.415 174.600 -0.187 0.000 1.014 1158 S CA 0.640 58.721 58.200 -0.198 0.000 0.957 1158 S CB -0.667 62.457 63.200 -0.127 0.000 0.784 1158 S HN 0.446 nan 8.310 nan 0.000 0.499 1159 V N -1.342 118.438 119.914 -0.224 0.000 3.216 1159 V HA 0.589 4.709 4.120 0.000 0.000 0.302 1159 V C -0.724 175.257 176.094 -0.189 0.000 1.286 1159 V CA -1.429 60.761 62.300 -0.185 0.000 1.048 1159 V CB 1.598 33.323 31.823 -0.163 0.000 1.081 1159 V HN 0.266 nan 8.190 nan 0.000 0.442 1160 L N 0.780 121.926 121.223 -0.129 0.000 2.358 1160 L HA 0.513 4.853 4.340 0.000 0.000 0.268 1160 L C -1.726 175.167 176.870 0.039 0.000 1.032 1160 L CA -1.809 52.981 54.840 -0.083 0.000 0.805 1160 L CB 1.891 43.902 42.059 -0.081 0.000 1.253 1160 L HN 0.388 nan 8.230 nan 0.000 0.452 1161 P HA -0.178 nan 4.420 nan 0.000 0.216 1161 P C 0.271 177.621 177.300 0.083 0.000 1.150 1161 P CA 1.293 64.412 63.100 0.032 0.000 0.837 1161 P CB 0.112 31.792 31.700 -0.033 0.000 0.786 1162 A N -0.585 122.228 122.820 -0.011 0.000 2.183 1162 A HA -0.215 4.105 4.320 0.000 0.000 0.278 1162 A C 1.050 178.617 177.584 -0.028 0.000 1.404 1162 A CA 0.383 52.359 52.037 -0.102 0.000 0.737 1162 A CB -1.571 17.406 19.000 -0.039 0.000 1.172 1162 A HN 0.132 nan 8.150 nan 0.000 0.338 1163 R N -0.372 120.095 120.500 -0.055 0.000 2.328 1163 R HA 0.201 4.541 4.340 0.000 0.000 0.200 1163 R C 0.321 176.746 176.300 0.209 0.000 0.983 1163 R CA 1.291 57.436 56.100 0.076 0.000 1.062 1163 R CB -1.003 29.344 30.300 0.078 0.000 0.956 1163 R HN 1.063 nan 8.270 nan 0.000 0.479 1164 F N -2.051 117.966 119.950 0.112 0.000 2.599 1164 F HA 0.592 5.119 4.527 0.000 0.000 0.311 1164 F C -2.778 172.929 175.800 -0.156 0.000 1.076 1164 F CA -3.860 54.138 58.000 -0.005 0.000 0.937 1164 F CB 1.133 40.041 39.000 -0.152 0.000 1.282 1164 F HN -0.312 nan 8.300 nan 0.000 0.460 1165 P HA 0.118 nan 4.420 nan 0.000 0.252 1165 P C -0.089 177.079 177.300 -0.221 0.000 1.694 1165 P CA 0.493 63.109 63.100 -0.806 0.000 1.163 1165 P CB 0.065 31.305 31.700 -0.767 0.000 1.934 1166 N N 2.377 120.951 118.700 -0.211 0.000 2.216 1166 N HA -0.144 4.596 4.740 0.000 0.000 0.183 1166 N C 1.375 176.892 175.510 0.011 0.000 1.017 1166 N CA 0.850 53.881 53.050 -0.031 0.000 0.861 1166 N CB -0.602 37.722 38.487 -0.270 0.000 0.986 1166 N HN 0.119 nan 8.380 nan 0.000 0.428 1167 L N 0.521 121.713 121.223 -0.051 0.000 1.970 1167 L HA -0.083 4.257 4.340 0.000 0.000 0.212 1167 L C 1.995 178.873 176.870 0.013 0.000 1.071 1167 L CA 1.660 56.489 54.840 -0.017 0.000 0.751 1167 L CB -0.663 41.379 42.059 -0.028 0.000 0.889 1167 L HN 0.268 nan 8.230 nan 0.000 0.432 1168 L N -1.022 120.179 121.223 -0.037 0.000 2.072 1168 L HA -0.126 4.214 4.340 0.000 0.000 0.205 1168 L C 2.662 179.614 176.870 0.137 0.000 1.079 1168 L CA 0.960 55.793 54.840 -0.011 0.000 0.752 1168 L CB -0.958 40.947 42.059 -0.257 0.000 0.906 1168 L HN 0.422 nan 8.230 nan 0.000 0.436 1169 A N 0.525 123.383 122.820 0.063 0.000 1.841 1169 A HA -0.228 4.092 4.320 0.000 0.000 0.216 1169 A C 2.001 179.695 177.584 0.183 0.000 1.199 1169 A CA 2.130 54.236 52.037 0.115 0.000 0.621 1169 A CB -0.585 18.443 19.000 0.047 0.000 0.835 1169 A HN 0.402 nan 8.150 nan 0.000 0.445 1170 N N -0.628 118.175 118.700 0.172 0.000 2.422 1170 N HA 0.234 4.974 4.740 0.000 0.000 0.181 1170 N C 0.977 176.453 175.510 -0.056 0.000 1.080 1170 N CA 1.122 54.224 53.050 0.087 0.000 0.893 1170 N CB 0.199 38.797 38.487 0.185 0.000 0.973 1170 N HN 0.771 nan 8.380 nan 0.000 0.456 1171 G N 0.086 108.905 108.800 0.031 0.000 2.725 1171 G HA2 0.127 4.087 3.960 0.000 0.000 0.220 1171 G HA3 0.127 4.087 3.960 0.000 0.000 0.220 1171 G C -1.017 173.903 174.900 0.033 0.000 1.357 1171 G CA -0.321 44.816 45.100 0.060 0.000 0.866 1171 G HN 0.533 nan 8.290 nan 0.000 0.548 1172 A N -1.192 121.685 122.820 0.096 0.000 2.547 1172 A HA 0.999 5.319 4.320 0.000 0.000 0.297 1172 A C -0.177 177.477 177.584 0.117 0.000 1.056 1172 A CA 0.904 52.983 52.037 0.071 0.000 0.688 1172 A CB 1.697 20.737 19.000 0.067 0.000 1.282 1172 A HN 2.366 nan 8.150 nan 0.000 0.400 1173 S N 0.217 115.964 115.700 0.077 0.000 2.570 1173 S HA 0.837 5.307 4.470 0.000 0.000 0.286 1173 S C 0.136 174.754 174.600 0.030 0.000 1.099 1173 S CA 0.205 58.443 58.200 0.062 0.000 0.913 1173 S CB 1.582 64.807 63.200 0.041 0.000 1.085 1173 S HN 1.874 nan 8.310 nan 0.000 0.480 1179 M N 1.391 120.984 119.600 -0.012 0.000 2.158 1179 M HA 0.687 5.167 4.480 0.000 0.000 0.326 1179 M C 0.875 177.172 176.300 -0.005 0.000 1.014 1179 M CA -0.706 54.585 55.300 -0.015 0.000 0.961 1179 M CB 1.689 34.263 32.600 -0.043 0.000 1.327 1179 M HN 0.629 nan 8.290 nan 0.000 0.393 1180 A N 1.513 124.338 122.820 0.007 0.000 1.969 1180 A HA 0.058 4.378 4.320 0.000 0.000 0.218 1180 A C 1.178 178.773 177.584 0.019 0.000 1.169 1180 A CA 1.647 53.692 52.037 0.013 0.000 0.635 1180 A CB -0.046 18.964 19.000 0.017 0.000 0.810 1180 A HN 0.743 nan 8.150 nan 0.000 0.445 1181 T N -1.586 112.983 114.554 0.024 0.000 2.901 1181 T HA 0.558 4.908 4.350 0.000 0.000 0.293 1181 T C -1.774 172.954 174.700 0.046 0.000 1.084 1181 T CA -0.679 61.446 62.100 0.041 0.000 1.008 1181 T CB 1.231 70.129 68.868 0.050 0.000 1.170 1181 T HN 0.193 nan 8.240 nan 0.000 0.509 1182 N N 2.080 120.832 118.700 0.088 0.000 2.747 1182 N HA 0.436 5.176 4.740 0.000 0.000 0.262 1182 N C -1.673 174.025 175.510 0.314 0.000 1.261 1182 N CA -0.250 52.876 53.050 0.127 0.000 0.809 1182 N CB 0.564 39.035 38.487 -0.027 0.000 1.450 1182 N HN 0.531 nan 8.380 nan 0.000 0.560 1183 I N 2.941 123.716 120.570 0.341 0.000 2.474 1183 I HA 0.599 4.769 4.170 0.000 0.000 0.294 1183 I C -2.214 174.120 176.117 0.361 0.000 1.005 1183 I CA -2.138 59.364 61.300 0.337 0.000 1.113 1183 I CB 2.464 40.588 38.000 0.207 0.000 1.289 1183 I HN 0.276 nan 8.210 nan 0.000 0.436 1184 P HA 0.457 nan 4.420 nan 0.000 0.287 1184 P C -2.692 174.482 177.300 -0.209 0.000 1.279 1184 P CA -2.309 60.679 63.100 -0.186 0.000 0.867 1184 P CB 0.426 31.720 31.700 -0.677 0.000 1.127 1185 P HA 0.212 nan 4.420 nan 0.000 0.271 1185 P C -0.717 176.265 177.300 -0.531 0.000 1.233 1185 P CA 0.493 63.432 63.100 -0.267 0.000 0.789 1185 P CB 0.266 31.764 31.700 -0.336 0.000 0.951 1186 H N -1.489 117.511 119.070 -0.116 0.000 2.960 1186 H HA 0.329 4.885 4.556 0.000 0.000 0.338 1186 H C -0.190 175.124 175.328 -0.024 0.000 1.261 1186 H CA -0.759 55.221 56.048 -0.113 0.000 1.136 1186 H CB 1.011 30.720 29.762 -0.090 0.000 1.875 1186 H HN 0.285 nan 8.280 nan 0.000 0.550 1187 N N 1.630 120.391 118.700 0.103 0.000 2.430 1187 N HA -0.022 4.718 4.740 0.000 0.000 0.265 1187 N C 0.714 176.259 175.510 0.058 0.000 1.100 1187 N CA -0.062 53.044 53.050 0.094 0.000 0.961 1187 N CB 1.025 39.533 38.487 0.034 0.000 1.075 1187 N HN 0.469 nan 8.380 nan 0.000 0.478 1188 L N 4.562 125.813 121.223 0.047 0.000 2.042 1188 L HA -0.158 4.182 4.340 0.000 0.000 0.210 1188 L C 2.098 178.919 176.870 -0.083 0.000 1.076 1188 L CA 1.957 56.694 54.840 -0.171 0.000 0.749 1188 L CB -0.806 40.959 42.059 -0.490 0.000 0.893 1188 L HN 0.627 nan 8.230 nan 0.000 0.432 1189 T N -0.842 113.701 114.554 -0.018 0.000 2.708 1189 T HA -0.195 4.155 4.350 0.000 0.000 0.266 1189 T C 1.702 176.391 174.700 -0.018 0.000 1.037 1189 T CA 1.704 63.798 62.100 -0.010 0.000 1.146 1189 T CB -0.268 68.605 68.868 0.008 0.000 0.865 1189 T HN 0.451 nan 8.240 nan 0.000 0.435 1190 E N 0.737 120.930 120.200 -0.012 0.000 2.058 1190 E HA -0.083 4.267 4.350 0.000 0.000 0.194 1190 E C 2.284 178.856 176.600 -0.048 0.000 0.997 1190 E CA 0.885 57.273 56.400 -0.020 0.000 0.801 1190 E CB -0.312 29.386 29.700 -0.004 0.000 0.746 1190 E HN 0.396 nan 8.360 nan 0.000 0.450 1191 L N 0.356 121.539 121.223 -0.067 0.000 1.976 1191 L HA -0.224 4.116 4.340 0.000 0.000 0.209 1191 L C 2.546 179.361 176.870 -0.092 0.000 1.071 1191 L CA 1.009 55.780 54.840 -0.115 0.000 0.746 1191 L CB -0.396 41.574 42.059 -0.149 0.000 0.890 1191 L HN 0.148 nan 8.230 nan 0.000 0.432 1192 I N 0.226 120.756 120.570 -0.067 0.000 2.248 1192 I HA -0.330 3.840 4.170 0.000 0.000 0.248 1192 I C 2.313 178.422 176.117 -0.013 0.000 1.107 1192 I CA 1.306 62.591 61.300 -0.025 0.000 1.373 1192 I CB -0.429 37.569 38.000 -0.004 0.000 1.055 1192 I HN 0.312 nan 8.210 nan 0.000 0.418 1193 N N 0.551 119.238 118.700 -0.021 0.000 2.166 1193 N HA -0.112 4.628 4.740 0.000 0.000 0.186 1193 N C 1.953 177.449 175.510 -0.023 0.000 1.019 1193 N CA 1.533 54.573 53.050 -0.016 0.000 0.856 1193 N CB -0.663 37.815 38.487 -0.015 0.000 0.993 1193 N HN 0.470 nan 8.380 nan 0.000 0.426 1194 G N 0.572 109.346 108.800 -0.043 0.000 2.422 1194 G HA2 -0.154 3.806 3.960 0.000 0.000 0.218 1194 G HA3 -0.154 3.806 3.960 0.000 0.000 0.218 1194 G C 1.744 176.619 174.900 -0.041 0.000 1.146 1194 G CA 0.586 45.653 45.100 -0.056 0.000 0.769 1194 G HN 0.186 nan 8.290 nan 0.000 0.547 1195 V N 0.775 120.674 119.914 -0.025 0.000 2.358 1195 V HA -0.072 4.048 4.120 0.000 0.000 0.246 1195 V C 2.904 179.011 176.094 0.022 0.000 1.047 1195 V CA 1.308 63.619 62.300 0.018 0.000 1.035 1195 V CB -0.340 31.528 31.823 0.075 0.000 0.658 1195 V HN 0.341 nan 8.190 nan 0.000 0.452 1196 L N -0.125 121.107 121.223 0.016 0.000 2.079 1196 L HA -0.169 4.171 4.340 0.000 0.000 0.210 1196 L C 2.546 179.417 176.870 0.002 0.000 1.081 1196 L CA 1.647 56.495 54.840 0.012 0.000 0.752 1196 L CB -0.563 41.503 42.059 0.011 0.000 0.896 1196 L HN 0.308 nan 8.230 nan 0.000 0.433 1197 S N -0.141 115.556 115.700 -0.006 0.000 2.406 1197 S HA -0.133 4.337 4.470 0.000 0.000 0.228 1197 S C 1.807 176.400 174.600 -0.012 0.000 1.020 1197 S CA 0.943 59.137 58.200 -0.011 0.000 0.965 1197 S CB -0.250 62.940 63.200 -0.017 0.000 0.798 1197 S HN 0.267 nan 8.310 nan 0.000 0.488 1198 L N 2.656 123.871 121.223 -0.013 0.000 2.027 1198 L HA -0.082 4.258 4.340 0.000 0.000 0.206 1198 L C 2.346 179.210 176.870 -0.011 0.000 1.074 1198 L CA 2.186 57.017 54.840 -0.015 0.000 0.745 1198 L CB -1.001 41.050 42.059 -0.013 0.000 0.898 1198 L HN 0.381 nan 8.230 nan 0.000 0.433 1199 S N -1.572 114.126 115.700 -0.004 0.000 2.423 1199 S HA -0.161 4.309 4.470 0.000 0.000 0.231 1199 S C 1.990 176.585 174.600 -0.007 0.000 1.014 1199 S CA 0.912 59.109 58.200 -0.005 0.000 0.965 1199 S CB -0.416 62.785 63.200 0.002 0.000 0.785 1199 S HN 0.352 nan 8.310 nan 0.000 0.495 1200 K N 2.323 122.719 120.400 -0.006 0.000 2.148 1200 K HA 0.105 4.425 4.320 0.000 0.000 0.204 1200 K C 0.290 176.885 176.600 -0.009 0.000 1.050 1200 K CA 1.009 57.293 56.287 -0.006 0.000 0.942 1200 K CB -0.212 32.285 32.500 -0.005 0.000 0.724 1200 K HN 0.859 nan 8.250 nan 0.000 0.446 1201 N N -2.550 116.143 118.700 -0.011 0.000 2.537 1201 N HA 0.205 4.945 4.740 0.000 0.000 0.281 1201 N C -2.788 172.713 175.510 -0.016 0.000 1.097 1201 N CA -1.323 51.720 53.050 -0.012 0.000 0.964 1201 N CB 2.097 40.577 38.487 -0.010 0.000 1.588 1201 N HN -0.343 nan 8.380 nan 0.000 0.511 1202 P HA -0.099 nan 4.420 nan 0.000 0.218 1202 P C -0.313 176.973 177.300 -0.023 0.000 1.148 1202 P CA 1.176 64.262 63.100 -0.024 0.000 0.822 1202 P CB 0.104 31.790 31.700 -0.024 0.000 0.784 1203 D N -0.670 119.719 120.400 -0.018 0.000 2.352 1203 D HA 0.038 4.678 4.640 0.000 0.000 0.236 1203 D C 0.905 177.196 176.300 -0.015 0.000 1.148 1203 D CA -0.123 53.867 54.000 -0.016 0.000 0.844 1203 D CB -0.456 40.336 40.800 -0.012 0.000 0.933 1203 D HN 0.276 nan 8.370 nan 0.000 0.507 1204 I N 1.604 122.164 120.570 -0.017 0.000 2.692 1204 I HA -0.035 4.135 4.170 0.000 0.000 0.284 1204 I C 0.548 176.655 176.117 -0.016 0.000 1.159 1204 I CA -0.223 61.068 61.300 -0.016 0.000 1.423 1204 I CB 0.729 38.717 38.000 -0.019 0.000 1.380 1204 I HN -0.100 nan 8.210 nan 0.000 0.580 1205 S N 7.261 122.955 115.700 -0.010 0.000 2.601 1205 S HA 0.274 4.744 4.470 0.000 0.000 0.271 1205 S C 1.306 175.902 174.600 -0.007 0.000 1.305 1205 S CA -0.902 57.294 58.200 -0.005 0.000 1.022 1205 S CB 1.484 64.685 63.200 0.002 0.000 0.940 1205 S HN 0.627 nan 8.310 nan 0.000 0.525 1206 I N 1.516 122.086 120.570 -0.000 0.000 2.315 1206 I HA -0.216 3.954 4.170 0.000 0.000 0.251 1206 I C 2.722 178.854 176.117 0.025 0.000 1.125 1206 I CA 1.807 63.110 61.300 0.004 0.000 1.392 1206 I CB -1.999 36.020 38.000 0.033 0.000 1.065 1206 I HN 0.879 nan 8.210 nan 0.000 0.424 1207 A N 0.411 123.248 122.820 0.028 0.000 1.969 1207 A HA -0.183 4.137 4.320 0.000 0.000 0.218 1207 A C 2.256 179.852 177.584 0.021 0.000 1.169 1207 A CA 1.419 53.476 52.037 0.032 0.000 0.635 1207 A CB -0.395 18.620 19.000 0.025 0.000 0.810 1207 A HN 0.454 nan 8.150 nan 0.000 0.445 1208 E N -0.634 119.570 120.200 0.007 0.000 2.086 1208 E HA -0.020 4.330 4.350 0.000 0.000 0.190 1208 E C 1.752 178.346 176.600 -0.009 0.000 0.975 1208 E CA 0.264 56.664 56.400 -0.000 0.000 0.813 1208 E CB -0.109 29.588 29.700 -0.005 0.000 0.768 1208 E HN 0.329 nan 8.360 nan 0.000 0.457 1209 L N 0.542 121.752 121.223 -0.022 0.000 2.137 1209 L HA -0.189 4.151 4.340 0.000 0.000 0.213 1209 L C 2.074 178.922 176.870 -0.037 0.000 1.085 1209 L CA 1.724 56.535 54.840 -0.048 0.000 0.760 1209 L CB -0.603 41.403 42.059 -0.087 0.000 0.893 1209 L HN 0.334 nan 8.230 nan 0.000 0.434 1210 M N -1.356 118.246 119.600 0.002 0.000 2.619 1210 M HA -0.120 4.360 4.480 0.000 0.000 0.251 1210 M C 1.639 177.959 176.300 0.034 0.000 1.106 1210 M CA 0.635 55.965 55.300 0.049 0.000 1.086 1210 M CB 0.012 32.678 32.600 0.110 0.000 1.465 1210 M HN 0.240 nan 8.290 nan 0.000 0.506 1211 E N 0.080 120.288 120.200 0.013 0.000 2.285 1211 E HA -0.127 4.223 4.350 0.000 0.000 0.194 1211 E C 1.099 177.700 176.600 0.002 0.000 0.997 1211 E CA 0.639 57.044 56.400 0.008 0.000 0.845 1211 E CB 0.236 29.938 29.700 0.003 0.000 0.782 1211 E HN 0.530 nan 8.360 nan 0.000 0.491 1212 D N 0.477 120.873 120.400 -0.006 0.000 2.320 1212 D HA 0.031 4.671 4.640 0.000 0.000 0.228 1212 D C 0.664 176.959 176.300 -0.009 0.000 0.978 1212 D CA 0.493 54.485 54.000 -0.013 0.000 0.905 1212 D CB 0.362 41.146 40.800 -0.027 0.000 1.051 1212 D HN 0.083 nan 8.370 nan 0.000 0.471 1213 I N 2.881 123.442 120.570 -0.016 0.000 2.260 1213 I HA -0.005 4.165 4.170 0.000 0.000 0.297 1213 I C 1.471 177.639 176.117 0.086 0.000 1.143 1213 I CA -0.102 61.200 61.300 0.003 0.000 1.271 1213 I CB 0.779 38.722 38.000 -0.095 0.000 1.461 1213 I HN -0.162 nan 8.210 nan 0.000 0.530 1214 E N 4.076 124.315 120.200 0.064 0.000 2.209 1214 E HA -0.071 4.279 4.350 0.000 0.000 0.196 1214 E C 1.090 177.742 176.600 0.087 0.000 0.993 1214 E CA 0.910 57.343 56.400 0.055 0.000 0.819 1214 E CB 0.172 29.876 29.700 0.007 0.000 0.745 1214 E HN 0.914 nan 8.360 nan 0.000 0.477 1215 G N -0.263 108.636 108.800 0.165 0.000 2.340 1215 G HA2 -0.014 3.946 3.960 0.000 0.000 0.282 1215 G HA3 -0.014 3.946 3.960 0.000 0.000 0.282 1215 G C -2.916 172.012 174.900 0.047 0.000 1.312 1215 G CA -0.965 44.229 45.100 0.157 0.000 0.942 1215 G HN -0.151 nan 8.290 nan 0.000 0.495 1216 P HA 0.340 nan 4.420 nan 0.000 0.271 1216 P C -0.816 176.016 177.300 -0.782 0.000 1.233 1216 P CA 0.444 63.046 63.100 -0.830 0.000 0.795 1216 P CB 0.513 31.605 31.700 -1.013 0.000 0.936 1217 D N 0.496 120.323 120.400 -0.956 0.000 2.351 1217 D HA 0.216 4.856 4.640 0.000 0.000 0.235 1217 D C -1.371 174.532 176.300 -0.662 0.000 1.331 1217 D CA -0.360 53.243 54.000 -0.662 0.000 0.959 1217 D CB -0.218 40.392 40.800 -0.317 0.000 1.432 1217 D HN -0.064 nan 8.370 nan 0.000 0.544 1218 F N 2.865 122.590 119.950 -0.375 0.000 2.429 1218 F HA 0.316 4.843 4.527 0.000 0.000 0.348 1218 F C -0.754 174.832 175.800 -0.358 0.000 1.109 1218 F CA -1.950 55.732 58.000 -0.531 0.000 1.232 1218 F CB 0.303 39.002 39.000 -0.501 0.000 1.157 1218 F HN 0.153 nan 8.300 nan 0.000 0.564 1219 P HA -0.171 nan 4.420 nan 0.000 0.217 1219 P C 1.069 178.388 177.300 0.032 0.000 1.148 1219 P CA 1.907 64.953 63.100 -0.091 0.000 0.828 1219 P CB -0.379 31.297 31.700 -0.040 0.000 0.783 1220 T N -3.989 110.633 114.554 0.114 0.000 3.160 1220 T HA 0.436 4.786 4.350 0.000 0.000 0.257 1220 T C 1.127 175.893 174.700 0.111 0.000 1.147 1220 T CA 0.427 62.624 62.100 0.161 0.000 1.064 1220 T CB -0.568 68.445 68.868 0.242 0.000 0.949 1220 T HN 0.329 nan 8.240 nan 0.000 0.526 1221 A N 1.071 123.942 122.820 0.085 0.000 5.369 1221 A HA 0.243 4.563 4.320 0.000 0.000 0.298 1221 A C 1.296 178.946 177.584 0.110 0.000 2.000 1221 A CA 0.781 52.855 52.037 0.061 0.000 0.716 1221 A CB -1.888 17.133 19.000 0.034 0.000 1.248 1221 A HN 2.339 nan 8.150 nan 0.000 0.365 1222 G N -3.315 105.529 108.800 0.072 0.000 2.741 1222 G HA2 0.313 4.273 3.960 0.000 0.000 0.222 1222 G HA3 0.313 4.273 3.960 0.000 0.000 0.222 1222 G C -0.622 174.313 174.900 0.058 0.000 1.364 1222 G CA 0.236 45.378 45.100 0.070 0.000 0.866 1222 G HN 2.004 nan 8.290 nan 0.000 0.555 1223 L N -0.312 120.937 121.223 0.042 0.000 2.342 1223 L HA 0.762 5.102 4.340 0.000 0.000 0.271 1223 L C 0.591 177.482 176.870 0.035 0.000 1.008 1223 L CA -0.677 54.173 54.840 0.016 0.000 0.818 1223 L CB 1.902 43.949 42.059 -0.020 0.000 1.296 1223 L HN 0.625 nan 8.230 nan 0.000 0.427 1224 I N 2.808 123.387 120.570 0.015 0.000 2.412 1224 I HA 0.243 4.413 4.170 0.000 0.000 0.296 1224 I C 0.636 176.742 176.117 -0.019 0.000 0.987 1224 I CA -0.463 60.846 61.300 0.015 0.000 1.180 1224 I CB 1.804 39.794 38.000 -0.018 0.000 1.340 1224 I HN 0.555 nan 8.210 nan 0.000 0.455 1225 L N 5.388 126.599 121.223 -0.020 0.000 2.591 1225 L HA 0.332 4.672 4.340 0.000 0.000 0.228 1225 L C 0.721 177.575 176.870 -0.026 0.000 1.133 1225 L CA 0.008 54.829 54.840 -0.032 0.000 0.880 1225 L CB -0.360 41.675 42.059 -0.040 0.000 1.033 1225 L HN 0.815 nan 8.230 nan 0.000 0.450 1226 G N -0.813 107.969 108.800 -0.029 0.000 2.361 1226 G HA2 0.078 4.038 3.960 0.000 0.000 0.299 1226 G HA3 0.078 4.038 3.960 0.000 0.000 0.299 1226 G C -0.401 174.472 174.900 -0.045 0.000 1.544 1226 G CA -0.705 44.377 45.100 -0.030 0.000 0.860 1226 G HN -0.128 nan 8.290 nan 0.000 0.610 1227 K N 0.243 120.617 120.400 -0.042 0.000 2.486 1227 K HA 0.062 4.382 4.320 0.000 0.000 0.194 1227 K C 2.391 178.955 176.600 -0.060 0.000 1.033 1227 K CA 0.940 57.194 56.287 -0.055 0.000 1.004 1227 K CB 0.059 32.538 32.500 -0.035 0.000 0.798 1227 K HN 0.341 nan 8.250 nan 0.000 0.495 1228 S N 0.706 116.380 115.700 -0.042 0.000 2.380 1228 S HA -0.165 4.305 4.470 0.000 0.000 0.217 1228 S C 2.171 176.743 174.600 -0.046 0.000 1.036 1228 S CA 1.611 59.791 58.200 -0.033 0.000 1.050 1228 S CB -0.821 62.368 63.200 -0.018 0.000 1.016 1228 S HN 0.571 nan 8.310 nan 0.000 0.419 1229 G N 1.441 110.215 108.800 -0.044 0.000 2.450 1229 G HA2 -0.174 3.786 3.960 0.000 0.000 0.220 1229 G HA3 -0.174 3.786 3.960 0.000 0.000 0.220 1229 G C 1.333 176.168 174.900 -0.109 0.000 1.130 1229 G CA 0.866 45.940 45.100 -0.044 0.000 0.760 1229 G HN 0.463 nan 8.290 nan 0.000 0.557 1230 I N -0.356 120.107 120.570 -0.179 0.000 2.113 1230 I HA -0.172 3.998 4.170 0.000 0.000 0.238 1230 I C 3.011 178.889 176.117 -0.399 0.000 1.070 1230 I CA 0.901 61.967 61.300 -0.391 0.000 1.332 1230 I CB -0.314 37.467 38.000 -0.366 0.000 1.044 1230 I HN 0.024 nan 8.210 nan 0.000 0.402 1231 R N 0.996 121.389 120.500 -0.180 0.000 2.122 1231 R HA -0.199 4.141 4.340 0.000 0.000 0.236 1231 R C 2.377 178.668 176.300 -0.015 0.000 1.129 1231 R CA 1.797 57.863 56.100 -0.056 0.000 0.925 1231 R CB -0.841 29.449 30.300 -0.018 0.000 0.850 1231 R HN 0.337 nan 8.270 nan 0.000 0.431 1232 R N -0.412 120.076 120.500 -0.021 0.000 2.103 1232 R HA -0.154 4.186 4.340 0.000 0.000 0.242 1232 R C 2.209 178.529 176.300 0.034 0.000 1.142 1232 R CA 1.779 57.886 56.100 0.012 0.000 0.960 1232 R CB -0.367 29.938 30.300 0.008 0.000 0.858 1232 R HN 0.309 nan 8.270 nan 0.000 0.439 1233 A N -0.136 122.682 122.820 -0.004 0.000 1.930 1233 A HA -0.161 4.159 4.320 0.000 0.000 0.217 1233 A C 1.690 179.395 177.584 0.202 0.000 1.175 1233 A CA 1.125 53.195 52.037 0.055 0.000 0.627 1233 A CB -0.469 18.524 19.000 -0.012 0.000 0.815 1233 A HN 0.301 nan 8.150 nan 0.000 0.443 1234 Y N 0.054 120.376 120.300 0.036 0.000 2.337 1234 Y HA 0.014 4.564 4.550 0.000 0.000 0.293 1234 Y C 2.390 178.301 175.900 0.018 0.000 1.123 1234 Y CA 0.737 58.850 58.100 0.022 0.000 1.201 1234 Y CB -0.366 38.099 38.460 0.009 0.000 1.011 1234 Y HN 0.357 nan 8.280 nan 0.000 0.545 1235 E N -0.884 119.424 120.200 0.180 0.000 2.216 1235 E HA -0.086 4.264 4.350 0.000 0.000 0.192 1235 E C 1.921 178.570 176.600 0.083 0.000 0.988 1235 E CA 1.645 58.107 56.400 0.104 0.000 0.834 1235 E CB -0.018 29.727 29.700 0.075 0.000 0.772 1235 E HN 0.522 nan 8.360 nan 0.000 0.479 1236 T N -4.226 110.383 114.554 0.091 0.000 2.966 1236 T HA 0.298 4.648 4.350 0.000 0.000 0.254 1236 T C 1.404 176.153 174.700 0.082 0.000 0.961 1236 T CA 1.029 63.173 62.100 0.073 0.000 0.915 1236 T CB 0.919 69.822 68.868 0.058 0.000 1.186 1236 T HN 0.187 nan 8.240 nan 0.000 0.505 1237 G N 1.386 110.252 108.800 0.110 0.000 2.176 1237 G HA2 -0.166 3.794 3.960 0.000 0.000 0.232 1237 G HA3 -0.166 3.794 3.960 0.000 0.000 0.232 1237 G C 0.037 175.005 174.900 0.113 0.000 0.986 1237 G CA -0.038 45.133 45.100 0.118 0.000 0.643 1237 G HN 0.759 nan 8.290 nan 0.000 0.522 1238 R N -0.427 120.130 120.500 0.095 0.000 2.621 1238 R HA 0.628 4.968 4.340 0.000 0.000 0.284 1238 R C -0.164 176.178 176.300 0.071 0.000 0.998 1238 R CA 0.077 56.228 56.100 0.085 0.000 0.895 1238 R CB 2.132 32.470 30.300 0.064 0.000 1.195 1238 R HN 0.981 nan 8.270 nan 0.000 0.450 1239 G N 0.308 109.155 108.800 0.078 0.000 2.498 1239 G HA2 0.138 4.098 3.960 0.000 0.000 0.301 1239 G HA3 0.138 4.098 3.960 0.000 0.000 0.301 1239 G C -1.511 173.437 174.900 0.080 0.000 1.577 1239 G CA -0.585 44.550 45.100 0.057 0.000 0.868 1239 G HN 0.381 nan 8.290 nan 0.000 0.599 1240 S N 0.241 115.978 115.700 0.062 0.000 2.523 1240 S HA 0.666 5.136 4.470 0.000 0.000 0.275 1240 S C 0.257 174.904 174.600 0.079 0.000 1.281 1240 S CA -0.430 57.816 58.200 0.078 0.000 1.050 1240 S CB 0.125 63.354 63.200 0.048 0.000 0.937 1240 S HN 0.441 nan 8.310 nan 0.000 0.492 1241 I N 4.246 124.896 120.570 0.133 0.000 2.433 1241 I HA 0.297 4.467 4.170 0.000 0.000 0.292 1241 I C -0.496 175.692 176.117 0.119 0.000 1.001 1241 I CA -0.819 60.547 61.300 0.110 0.000 1.119 1241 I CB 1.886 39.962 38.000 0.127 0.000 1.289 1241 I HN 0.471 nan 8.210 nan 0.000 0.438 1242 Q N 7.439 127.278 119.800 0.065 0.000 2.349 1242 Q HA 0.454 4.794 4.340 0.000 0.000 0.254 1242 Q C -0.792 175.236 176.000 0.046 0.000 0.980 1242 Q CA -0.035 55.793 55.803 0.041 0.000 0.924 1242 Q CB 1.574 30.314 28.738 0.004 0.000 1.209 1242 Q HN 0.549 nan 8.270 nan 0.000 0.445 1243 M N 2.604 122.234 119.600 0.050 0.000 2.129 1243 M HA 0.439 4.919 4.480 0.000 0.000 0.348 1243 M C 0.026 176.306 176.300 -0.035 0.000 1.116 1243 M CA -0.312 55.014 55.300 0.042 0.000 1.022 1243 M CB 1.603 34.216 32.600 0.022 0.000 1.599 1243 M HN 0.235 nan 8.290 nan 0.000 0.449 1244 R N 1.390 121.847 120.500 -0.072 0.000 2.562 1244 R HA 0.526 4.866 4.340 0.000 0.000 0.298 1244 R C -0.604 175.638 176.300 -0.097 0.000 0.961 1244 R CA -0.359 55.637 56.100 -0.173 0.000 0.881 1244 R CB 1.626 31.706 30.300 -0.367 0.000 1.159 1244 R HN 0.771 nan 8.270 nan 0.000 0.450 1245 S N 2.035 117.699 115.700 -0.060 0.000 2.560 1245 S HA -0.023 4.447 4.470 0.000 0.000 0.276 1245 S C 0.083 174.694 174.600 0.018 0.000 1.350 1245 S CA -0.029 58.179 58.200 0.013 0.000 1.024 1245 S CB 0.369 63.609 63.200 0.067 0.000 0.864 1245 S HN 0.518 nan 8.310 nan 0.000 0.536 1246 R N 1.084 121.606 120.500 0.037 0.000 2.196 1246 R HA 0.502 4.842 4.340 0.000 0.000 0.340 1246 R C -0.691 175.647 176.300 0.062 0.000 1.043 1246 R CA -0.170 55.955 56.100 0.041 0.000 0.883 1246 R CB -0.101 30.218 30.300 0.032 0.000 1.078 1246 R HN 0.664 nan 8.270 nan 0.000 0.462 1247 A N 4.101 126.975 122.820 0.089 0.000 2.414 1247 A HA 0.627 4.947 4.320 0.000 0.000 0.306 1247 A C -0.950 176.681 177.584 0.077 0.000 1.054 1247 A CA -0.672 51.422 52.037 0.096 0.000 0.724 1247 A CB 1.704 20.795 19.000 0.152 0.000 1.267 1247 A HN 0.592 nan 8.150 nan 0.000 0.418 1248 V N 0.228 120.171 119.914 0.050 0.000 3.040 1248 V HA 0.871 4.991 4.120 0.000 0.000 0.312 1248 V C -0.417 175.691 176.094 0.022 0.000 1.115 1248 V CA -0.858 61.464 62.300 0.036 0.000 0.998 1248 V CB 1.589 33.428 31.823 0.027 0.000 1.042 1248 V HN 1.183 nan 8.190 nan 0.000 0.433 1249 I N 0.497 121.076 120.570 0.015 0.000 2.460 1249 I HA 0.886 5.056 4.170 0.000 0.000 0.298 1249 I C -0.444 175.676 176.117 0.005 0.000 0.989 1249 I CA -0.477 60.825 61.300 0.004 0.000 1.173 1249 I CB 1.957 39.955 38.000 -0.003 0.000 1.338 1249 I HN 1.007 nan 8.210 nan 0.000 0.456 1250 E N 3.669 123.870 120.200 0.002 0.000 2.272 1250 E HA 0.482 4.832 4.350 0.000 0.000 0.269 1250 E C -1.517 175.083 176.600 -0.001 0.000 0.877 1250 E CA -0.868 55.533 56.400 0.002 0.000 0.755 1250 E CB 2.168 31.870 29.700 0.003 0.000 1.192 1250 E HN 0.640 nan 8.360 nan 0.000 0.422 1251 E N 2.905 123.105 120.200 -0.000 0.000 2.259 1251 E HA 0.283 4.633 4.350 0.000 0.000 0.281 1251 E C -0.085 176.515 176.600 -0.001 0.000 1.027 1251 E CA -0.343 56.056 56.400 -0.002 0.000 0.838 1251 E CB 1.228 30.927 29.700 -0.001 0.000 1.066 1251 E HN 0.485 nan 8.360 nan 0.000 0.401 1252 R N 1.693 122.192 120.500 -0.002 0.000 3.460 1252 R HA 0.537 4.877 4.340 0.000 0.000 0.219 1252 R C 1.195 177.494 176.300 -0.002 0.000 1.633 1252 R CA -0.676 55.423 56.100 -0.002 0.000 0.940 1252 R CB -0.661 29.638 30.300 -0.002 0.000 1.845 1252 R HN 0.486 nan 8.270 nan 0.000 0.528 1253 G N 0.361 109.160 108.800 -0.002 0.000 2.420 1253 G HA2 -0.253 3.707 3.960 0.000 0.000 0.248 1253 G HA3 -0.253 3.707 3.960 0.000 0.000 0.248 1253 G C 0.654 175.552 174.900 -0.003 0.000 1.098 1253 G CA 0.569 45.668 45.100 -0.002 0.000 1.001 1253 G HN 0.602 nan 8.290 nan 0.000 0.710 1254 G N -0.595 108.203 108.800 -0.003 0.000 3.090 1254 G HA2 0.490 4.450 3.960 0.000 0.000 0.259 1254 G HA3 0.490 4.450 3.960 0.000 0.000 0.259 1254 G C 1.248 176.146 174.900 -0.004 0.000 0.797 1254 G CA 0.760 45.858 45.100 -0.003 0.000 2.032 1254 G HN 1.965 nan 8.290 nan 0.000 0.614 1255 G N 0.304 109.102 108.800 -0.003 0.000 2.168 1255 G HA2 -0.324 3.636 3.960 0.000 0.000 0.263 1255 G HA3 -0.324 3.636 3.960 0.000 0.000 0.263 1255 G C 0.761 175.658 174.900 -0.005 0.000 0.977 1255 G CA 0.395 45.493 45.100 -0.004 0.000 0.659 1255 G HN 0.782 nan 8.290 nan 0.000 0.533 1256 R N 0.428 120.925 120.500 -0.005 0.000 2.641 1256 R HA 0.614 4.954 4.340 0.000 0.000 0.269 1256 R C 0.893 177.189 176.300 -0.006 0.000 1.074 1256 R CA 0.292 56.389 56.100 -0.006 0.000 1.133 1256 R CB 0.474 30.771 30.300 -0.006 0.000 1.029 1256 R HN 0.532 nan 8.270 nan 0.000 0.488 1257 Q N 1.052 120.847 119.800 -0.008 0.000 2.486 1257 Q HA 0.559 4.899 4.340 0.000 0.000 0.274 1257 Q C -0.766 175.229 176.000 -0.009 0.000 1.076 1257 Q CA -1.117 54.681 55.803 -0.008 0.000 0.872 1257 Q CB 2.662 31.394 28.738 -0.011 0.000 1.383 1257 Q HN 0.424 nan 8.270 nan 0.000 0.478 1258 R N 0.622 121.117 120.500 -0.008 0.000 2.536 1258 R HA 0.411 4.751 4.340 0.000 0.000 0.269 1258 R C -1.850 174.446 176.300 -0.007 0.000 1.113 1258 R CA -0.346 55.749 56.100 -0.007 0.000 0.948 1258 R CB 1.113 31.411 30.300 -0.004 0.000 1.237 1258 R HN 0.638 nan 8.270 nan 0.000 0.441 1259 I N 4.229 124.794 120.570 -0.009 0.000 2.331 1259 I HA 0.336 4.506 4.170 0.000 0.000 0.292 1259 I C -0.428 175.690 176.117 0.003 0.000 0.998 1259 I CA -0.976 60.321 61.300 -0.006 0.000 1.267 1259 I CB 1.965 39.955 38.000 -0.017 0.000 1.386 1259 I HN 0.248 nan 8.210 nan 0.000 0.476 1260 V N 7.391 127.311 119.914 0.011 0.000 2.376 1260 V HA 0.255 4.375 4.120 0.000 0.000 0.287 1260 V C -0.086 176.022 176.094 0.024 0.000 1.015 1260 V CA -0.685 61.623 62.300 0.014 0.000 0.834 1260 V CB 1.803 33.633 31.823 0.012 0.000 1.001 1260 V HN 0.385 nan 8.190 nan 0.000 0.428 1261 V N 4.780 124.708 119.914 0.025 0.000 2.368 1261 V HA 0.206 4.326 4.120 0.000 0.000 0.266 1261 V C 1.119 177.229 176.094 0.026 0.000 1.045 1261 V CA 0.260 62.581 62.300 0.035 0.000 0.899 1261 V CB 0.952 32.797 31.823 0.038 0.000 1.006 1261 V HN 0.959 nan 8.190 nan 0.000 0.470 1262 T N 3.432 118.003 114.554 0.029 0.000 2.953 1262 T HA 0.072 4.422 4.350 0.000 0.000 0.247 1262 T C 0.564 175.279 174.700 0.024 0.000 1.029 1262 T CA 0.619 62.733 62.100 0.023 0.000 1.144 1262 T CB 0.146 69.027 68.868 0.022 0.000 0.870 1262 T HN 0.864 nan 8.240 nan 0.000 0.446 1263 E N 1.803 122.022 120.200 0.031 0.000 2.266 1263 E HA 0.556 4.906 4.350 0.000 0.000 0.268 1263 E C -0.838 175.786 176.600 0.040 0.000 0.879 1263 E CA -0.936 55.486 56.400 0.037 0.000 0.762 1263 E CB 2.211 31.936 29.700 0.042 0.000 1.199 1263 E HN 0.479 nan 8.360 nan 0.000 0.422 1264 I N -1.956 118.638 120.570 0.040 0.000 2.822 1264 I HA 0.596 4.766 4.170 0.000 0.000 0.312 1264 I C -2.604 173.537 176.117 0.041 0.000 1.011 1264 I CA -3.046 58.275 61.300 0.034 0.000 1.105 1264 I CB 1.378 39.389 38.000 0.019 0.000 1.291 1264 I HN 0.227 nan 8.210 nan 0.000 0.474 1265 P HA 0.082 nan 4.420 nan 0.000 0.272 1265 P C -0.633 176.674 177.300 0.011 0.000 1.223 1265 P CA -0.042 63.052 63.100 -0.009 0.000 0.784 1265 P CB 0.231 31.912 31.700 -0.032 0.000 0.923 1266 F N 2.713 122.483 119.950 -0.300 0.000 2.629 1266 F HA -0.077 4.450 4.527 0.000 0.000 0.369 1266 F C 1.565 177.290 175.800 -0.126 0.000 1.125 1266 F CA 0.760 58.601 58.000 -0.265 0.000 1.330 1266 F CB -0.349 38.268 39.000 -0.639 0.000 1.071 1266 F HN 0.558 nan 8.300 nan 0.000 0.595 1267 Q N 0.401 119.899 119.800 -0.503 0.000 2.264 1267 Q HA -0.225 4.115 4.340 0.000 0.000 0.207 1267 Q C -0.126 175.747 176.000 -0.212 0.000 0.702 1267 Q CA 0.900 56.411 55.803 -0.487 0.000 1.411 1267 Q CB -1.731 26.570 28.738 -0.728 0.000 1.717 1267 Q HN 0.375 nan 8.270 nan 0.000 0.683 1268 V N 2.266 122.104 119.914 -0.127 0.000 2.572 1268 V HA 0.025 4.145 4.120 0.000 0.000 0.291 1268 V C 0.786 176.843 176.094 -0.061 0.000 1.039 1268 V CA 0.004 62.256 62.300 -0.078 0.000 1.055 1268 V CB 1.142 32.936 31.823 -0.048 0.000 0.969 1268 V HN 0.215 nan 8.190 nan 0.000 0.482 1269 N N 4.616 123.282 118.700 -0.057 0.000 2.448 1269 N HA 0.049 4.789 4.740 0.000 0.000 0.250 1269 N C 1.091 176.573 175.510 -0.047 0.000 1.136 1269 N CA 0.066 53.086 53.050 -0.051 0.000 0.953 1269 N CB 0.549 39.010 38.487 -0.042 0.000 1.251 1269 N HN 0.727 nan 8.380 nan 0.000 0.502 1270 K N 3.450 123.816 120.400 -0.057 0.000 2.059 1270 K HA -0.233 4.087 4.320 0.000 0.000 0.212 1270 K C 1.636 178.213 176.600 -0.039 0.000 1.050 1270 K CA 1.830 58.088 56.287 -0.048 0.000 0.927 1270 K CB -0.028 32.433 32.500 -0.066 0.000 0.714 1270 K HN 0.589 nan 8.250 nan 0.000 0.447 1271 A N 1.476 124.270 122.820 -0.043 0.000 1.865 1271 A HA -0.187 4.133 4.320 0.000 0.000 0.217 1271 A C 2.020 179.590 177.584 -0.025 0.000 1.191 1271 A CA 1.601 53.619 52.037 -0.033 0.000 0.623 1271 A CB -0.538 18.443 19.000 -0.033 0.000 0.826 1271 A HN 0.262 nan 8.150 nan 0.000 0.444 1272 R N -0.929 119.556 120.500 -0.026 0.000 2.127 1272 R HA -0.097 4.243 4.340 0.000 0.000 0.238 1272 R C 2.098 178.388 176.300 -0.017 0.000 1.134 1272 R CA 1.481 57.568 56.100 -0.021 0.000 0.975 1272 R CB -0.942 29.344 30.300 -0.023 0.000 0.865 1272 R HN 0.740 nan 8.270 nan 0.000 0.447 1273 M N -0.100 119.489 119.600 -0.018 0.000 2.098 1273 M HA -0.134 4.346 4.480 0.000 0.000 0.262 1273 M C 1.725 178.020 176.300 -0.008 0.000 1.072 1273 M CA 1.454 56.748 55.300 -0.010 0.000 1.133 1273 M CB -0.036 32.559 32.600 -0.008 0.000 1.344 1273 M HN -0.060 nan 8.290 nan 0.000 0.414 1274 I N 1.102 121.665 120.570 -0.012 0.000 2.127 1274 I HA -0.321 3.849 4.170 0.000 0.000 0.241 1274 I C 2.413 178.523 176.117 -0.011 0.000 1.075 1274 I CA 1.708 63.002 61.300 -0.011 0.000 1.334 1274 I CB -0.956 37.036 38.000 -0.014 0.000 1.040 1274 I HN 0.433 nan 8.210 nan 0.000 0.405 1275 E N 0.297 120.490 120.200 -0.012 0.000 2.267 1275 E HA -0.315 4.035 4.350 0.000 0.000 0.197 1275 E C 2.076 178.670 176.600 -0.010 0.000 0.998 1275 E CA 1.281 57.674 56.400 -0.011 0.000 0.830 1275 E CB 0.120 29.813 29.700 -0.012 0.000 0.751 1275 E HN 0.310 nan 8.360 nan 0.000 0.491 1276 K N 0.773 121.167 120.400 -0.009 0.000 2.044 1276 K HA -0.009 4.311 4.320 0.000 0.000 0.204 1276 K C 1.987 178.583 176.600 -0.007 0.000 1.045 1276 K CA 0.998 57.281 56.287 -0.008 0.000 0.951 1276 K CB -0.388 32.108 32.500 -0.006 0.000 0.738 1276 K HN 0.094 nan 8.250 nan 0.000 0.443 1277 I N 1.355 121.921 120.570 -0.007 0.000 2.185 1277 I HA -0.340 3.830 4.170 0.000 0.000 0.246 1277 I C 2.282 178.393 176.117 -0.010 0.000 1.088 1277 I CA 1.457 62.752 61.300 -0.008 0.000 1.347 1277 I CB -0.453 37.542 38.000 -0.009 0.000 1.041 1277 I HN 0.330 nan 8.210 nan 0.000 0.415 1278 A N 0.906 123.721 122.820 -0.009 0.000 1.917 1278 A HA -0.302 4.018 4.320 0.000 0.000 0.219 1278 A C 2.270 179.849 177.584 -0.009 0.000 1.182 1278 A CA 2.225 54.256 52.037 -0.009 0.000 0.633 1278 A CB -0.779 18.215 19.000 -0.009 0.000 0.819 1278 A HN 0.675 nan 8.150 nan 0.000 0.448 1279 E N 0.092 120.287 120.200 -0.008 0.000 2.047 1279 E HA -0.156 4.194 4.350 0.000 0.000 0.191 1279 E C 1.788 178.384 176.600 -0.008 0.000 0.987 1279 E CA 1.257 57.652 56.400 -0.008 0.000 0.799 1279 E CB -0.551 29.144 29.700 -0.007 0.000 0.752 1279 E HN 0.539 nan 8.360 nan 0.000 0.449 1280 L N 0.831 122.049 121.223 -0.008 0.000 2.349 1280 L HA -0.128 4.212 4.340 0.000 0.000 0.220 1280 L C 2.289 179.153 176.870 -0.010 0.000 1.130 1280 L CA 0.408 55.243 54.840 -0.009 0.000 0.791 1280 L CB -0.106 41.947 42.059 -0.010 0.000 0.918 1280 L HN 0.170 nan 8.230 nan 0.000 0.444 1281 V N -0.073 119.834 119.914 -0.010 0.000 2.685 1281 V HA -0.120 4.000 4.120 0.000 0.000 0.244 1281 V C 2.568 178.657 176.094 -0.009 0.000 1.054 1281 V CA 1.284 63.578 62.300 -0.011 0.000 1.076 1281 V CB -0.127 31.689 31.823 -0.011 0.000 0.725 1281 V HN 0.532 nan 8.190 nan 0.000 0.467 1282 R N 0.317 120.812 120.500 -0.008 0.000 2.090 1282 R HA -0.096 4.244 4.340 0.000 0.000 0.228 1282 R C 1.019 177.315 176.300 -0.007 0.000 1.110 1282 R CA 1.873 57.968 56.100 -0.007 0.000 0.973 1282 R CB -0.516 29.780 30.300 -0.007 0.000 0.869 1282 R HN 0.321 nan 8.270 nan 0.000 0.440 1283 D N 1.431 121.827 120.400 -0.007 0.000 2.323 1283 D HA 0.019 4.659 4.640 0.000 0.000 0.239 1283 D C -0.137 176.159 176.300 -0.007 0.000 1.129 1283 D CA 0.280 54.277 54.000 -0.006 0.000 0.865 1283 D CB 0.205 41.002 40.800 -0.006 0.000 0.913 1283 D HN 0.150 nan 8.370 nan 0.000 0.517 1284 K N -0.320 120.076 120.400 -0.007 0.000 2.960 1284 K HA -0.269 4.051 4.320 0.000 0.000 0.259 1284 K C 0.613 177.207 176.600 -0.009 0.000 1.025 1284 K CA 0.573 56.856 56.287 -0.008 0.000 0.756 1284 K CB -1.862 30.634 32.500 -0.007 0.000 1.221 1284 K HN 0.393 nan 8.250 nan 0.000 0.483 1285 K N -0.031 120.364 120.400 -0.009 0.000 2.444 1285 K HA 0.180 4.500 4.320 0.000 0.000 0.193 1285 K C 0.598 177.190 176.600 -0.013 0.000 1.024 1285 K CA 0.243 56.524 56.287 -0.010 0.000 1.077 1285 K CB 0.460 32.955 32.500 -0.008 0.000 0.833 1285 K HN 0.097 nan 8.250 nan 0.000 0.517 1286 I N 1.420 121.981 120.570 -0.014 0.000 2.512 1286 I HA 0.185 4.355 4.170 0.000 0.000 0.287 1286 I C -1.516 174.590 176.117 -0.017 0.000 1.069 1286 I CA -0.587 60.702 61.300 -0.018 0.000 1.056 1286 I CB 2.066 40.054 38.000 -0.021 0.000 1.229 1286 I HN -0.070 nan 8.210 nan 0.000 0.429 1287 D N 3.472 123.861 120.400 -0.018 0.000 2.362 1287 D HA 0.707 5.347 4.640 0.000 0.000 0.247 1287 D C 0.668 176.957 176.300 -0.018 0.000 1.050 1287 D CA 0.461 54.451 54.000 -0.016 0.000 0.839 1287 D CB 2.089 42.881 40.800 -0.014 0.000 1.283 1287 D HN 0.794 nan 8.370 nan 0.000 0.477 1288 G N 1.900 110.690 108.800 -0.016 0.000 2.380 1288 G HA2 -0.180 3.780 3.960 0.000 0.000 0.197 1288 G HA3 -0.180 3.780 3.960 0.000 0.000 0.197 1288 G C 0.179 175.069 174.900 -0.017 0.000 1.001 1288 G CA -0.623 44.467 45.100 -0.017 0.000 0.668 1288 G HN 0.484 nan 8.290 nan 0.000 0.483 1289 I N 2.721 123.280 120.570 -0.018 0.000 2.347 1289 I HA 0.234 4.404 4.170 0.000 0.000 0.294 1289 I C 1.578 177.687 176.117 -0.013 0.000 1.090 1289 I CA 0.682 61.972 61.300 -0.016 0.000 1.314 1289 I CB 1.274 39.263 38.000 -0.018 0.000 1.423 1289 I HN 0.140 nan 8.210 nan 0.000 0.503 1290 T N 3.295 117.842 114.554 -0.012 0.000 3.057 1290 T HA 0.005 4.355 4.350 0.000 0.000 0.254 1290 T C 0.050 174.745 174.700 -0.009 0.000 1.094 1290 T CA 0.616 62.710 62.100 -0.010 0.000 1.088 1290 T CB -0.066 68.797 68.868 -0.009 0.000 0.934 1290 T HN 0.702 nan 8.240 nan 0.000 0.497 1291 D N -0.366 120.029 120.400 -0.009 0.000 2.722 1291 D HA 0.401 5.041 4.640 0.000 0.000 0.231 1291 D C -1.897 174.398 176.300 -0.009 0.000 1.218 1291 D CA -0.686 53.309 54.000 -0.009 0.000 0.753 1291 D CB 1.170 41.965 40.800 -0.007 0.000 1.471 1291 D HN 0.220 nan 8.370 nan 0.000 0.455 1292 L N 0.500 121.718 121.223 -0.009 0.000 2.436 1292 L HA 0.824 5.164 4.340 0.000 0.000 0.268 1292 L C -1.424 175.441 176.870 -0.008 0.000 0.974 1292 L CA -0.395 54.440 54.840 -0.009 0.000 0.826 1292 L CB 2.046 44.099 42.059 -0.010 0.000 1.291 1292 L HN 0.357 nan 8.230 nan 0.000 0.406 1293 R N 1.592 122.088 120.500 -0.007 0.000 2.744 1293 R HA 0.481 4.821 4.340 0.000 0.000 0.279 1293 R C -1.487 174.809 176.300 -0.008 0.000 0.977 1293 R CA -0.851 55.244 56.100 -0.008 0.000 0.906 1293 R CB 2.018 32.315 30.300 -0.007 0.000 1.197 1293 R HN 0.708 nan 8.270 nan 0.000 0.463 1294 D N 2.081 122.475 120.400 -0.010 0.000 2.479 1294 D HA 0.091 4.731 4.640 0.000 0.000 0.247 1294 D C -0.354 175.939 176.300 -0.013 0.000 1.119 1294 D CA -0.216 53.777 54.000 -0.013 0.000 0.922 1294 D CB 0.797 41.587 40.800 -0.017 0.000 1.014 1294 D HN 0.520 nan 8.370 nan 0.000 0.510 1295 E N 1.021 121.215 120.200 -0.010 0.000 2.359 1295 E HA 0.061 4.411 4.350 0.000 0.000 0.187 1295 E C 0.051 176.645 176.600 -0.010 0.000 1.081 1295 E CA -0.020 56.375 56.400 -0.008 0.000 0.929 1295 E CB 0.220 29.917 29.700 -0.005 0.000 1.086 1295 E HN 0.282 nan 8.360 nan 0.000 0.462 1296 T N 1.803 116.348 114.554 -0.015 0.000 2.829 1296 T HA 0.103 4.453 4.350 0.000 0.000 0.293 1296 T C 0.312 175.002 174.700 -0.017 0.000 0.970 1296 T CA 0.036 62.125 62.100 -0.018 0.000 1.168 1296 T CB 0.530 69.379 68.868 -0.032 0.000 0.911 1296 T HN 0.223 nan 8.240 nan 0.000 0.535 1297 S N 3.020 118.714 115.700 -0.010 0.000 2.851 1297 S HA 0.528 4.998 4.470 0.000 0.000 0.313 1297 S C 0.901 175.501 174.600 0.000 0.000 1.163 1297 S CA -1.109 57.088 58.200 -0.005 0.000 0.850 1297 S CB 0.933 64.132 63.200 -0.002 0.000 1.245 1297 S HN 0.469 nan 8.310 nan 0.000 0.558 1298 L N -0.005 121.222 121.223 0.006 0.000 2.179 1298 L HA 0.136 4.476 4.340 0.000 0.000 0.208 1298 L C 2.585 179.462 176.870 0.012 0.000 1.096 1298 L CA 1.045 55.893 54.840 0.013 0.000 0.779 1298 L CB -0.267 41.803 42.059 0.017 0.000 0.922 1298 L HN 0.676 nan 8.230 nan 0.000 0.443 1299 R N -0.731 119.774 120.500 0.009 0.000 2.080 1299 R HA -0.066 4.274 4.340 0.000 0.000 0.222 1299 R C 2.185 178.489 176.300 0.007 0.000 1.107 1299 R CA 1.708 57.813 56.100 0.008 0.000 0.980 1299 R CB -0.683 29.621 30.300 0.007 0.000 0.879 1299 R HN 0.419 nan 8.270 nan 0.000 0.439 1300 T N -2.601 111.956 114.554 0.005 0.000 3.067 1300 T HA 0.255 4.605 4.350 0.000 0.000 0.261 1300 T C 1.122 175.825 174.700 0.005 0.000 1.110 1300 T CA 0.283 62.385 62.100 0.004 0.000 1.113 1300 T CB -0.229 68.640 68.868 0.002 0.000 0.917 1300 T HN 0.395 nan 8.240 nan 0.000 0.499 1301 G N 1.197 110.000 108.800 0.005 0.000 2.697 1301 G HA2 -0.183 3.777 3.960 0.000 0.000 0.240 1301 G HA3 -0.183 3.777 3.960 0.000 0.000 0.240 1301 G C -0.337 174.563 174.900 0.000 0.000 1.346 1301 G CA -0.574 44.529 45.100 0.006 0.000 0.887 1301 G HN 0.926 nan 8.290 nan 0.000 0.569 1302 V N 0.579 120.493 119.914 0.000 0.000 2.599 1302 V HA 0.450 4.570 4.120 0.000 0.000 0.300 1302 V C 1.001 177.095 176.094 -0.000 0.000 1.034 1302 V CA 1.435 63.732 62.300 -0.006 0.000 1.115 1302 V CB 0.990 32.812 31.823 -0.002 0.000 0.934 1302 V HN 0.972 nan 8.190 nan 0.000 0.485 1303 R N 3.694 124.192 120.500 -0.004 0.000 2.810 1303 R HA 0.476 4.816 4.340 0.000 0.000 0.280 1303 R C -1.960 174.339 176.300 -0.003 0.000 1.517 1303 R CA -0.361 55.739 56.100 -0.000 0.000 1.063 1303 R CB 1.559 31.858 30.300 -0.000 0.000 1.275 1303 R HN 0.563 nan 8.270 nan 0.000 0.464 1304 V N 4.539 124.453 119.914 0.001 0.000 2.407 1304 V HA 0.414 4.534 4.120 0.000 0.000 0.278 1304 V C -0.095 176.001 176.094 0.002 0.000 1.037 1304 V CA -0.613 61.687 62.300 -0.000 0.000 0.900 1304 V CB 1.687 33.511 31.823 0.002 0.000 0.983 1304 V HN 0.382 nan 8.190 nan 0.000 0.459 1305 V N 6.674 126.588 119.914 -0.001 0.000 2.409 1305 V HA 0.492 4.612 4.120 0.000 0.000 0.291 1305 V C -0.201 175.890 176.094 -0.005 0.000 1.020 1305 V CA -0.372 61.927 62.300 -0.002 0.000 0.848 1305 V CB 1.682 33.504 31.823 -0.002 0.000 0.990 1305 V HN 0.684 nan 8.190 nan 0.000 0.430 1306 I N 3.855 124.421 120.570 -0.006 0.000 2.328 1306 I HA 0.380 4.550 4.170 0.000 0.000 0.287 1306 I C -0.504 175.606 176.117 -0.011 0.000 1.012 1306 I CA -0.468 60.826 61.300 -0.010 0.000 1.195 1306 I CB 1.355 39.346 38.000 -0.015 0.000 1.350 1306 I HN 0.464 nan 8.210 nan 0.000 0.464 1307 D N 6.821 127.215 120.400 -0.011 0.000 2.339 1307 D HA 0.246 4.886 4.640 0.000 0.000 0.241 1307 D C -0.018 176.275 176.300 -0.013 0.000 1.183 1307 D CA 0.002 53.996 54.000 -0.010 0.000 0.859 1307 D CB 1.891 42.686 40.800 -0.008 0.000 1.067 1307 D HN 0.091 nan 8.370 nan 0.000 0.484 1308 V N 2.874 122.779 119.914 -0.014 0.000 2.863 1308 V HA 0.388 4.508 4.120 0.000 0.000 0.307 1308 V C 0.821 176.908 176.094 -0.013 0.000 1.061 1308 V CA -0.798 61.492 62.300 -0.016 0.000 1.024 1308 V CB 1.609 33.421 31.823 -0.019 0.000 1.049 1308 V HN 0.494 nan 8.190 nan 0.000 0.471 1309 R N 2.206 122.699 120.500 -0.013 0.000 2.606 1309 R HA 0.632 4.972 4.340 0.000 0.000 0.249 1309 R C 1.200 177.494 176.300 -0.010 0.000 1.127 1309 R CA 0.044 56.137 56.100 -0.010 0.000 1.133 1309 R CB 0.562 30.856 30.300 -0.010 0.000 1.243 1309 R HN 0.507 nan 8.270 nan 0.000 0.558 1310 K N 0.124 120.519 120.400 -0.008 0.000 2.026 1310 K HA -0.148 4.172 4.320 0.000 0.000 0.208 1310 K C 2.242 178.837 176.600 -0.008 0.000 1.048 1310 K CA 2.537 58.819 56.287 -0.008 0.000 0.929 1310 K CB -1.880 30.616 32.500 -0.006 0.000 0.713 1310 K HN 0.829 nan 8.250 nan 0.000 0.439 1311 D N 0.272 120.667 120.400 -0.008 0.000 2.183 1311 D HA 0.428 5.068 4.640 0.000 0.000 0.203 1311 D C 1.458 177.752 176.300 -0.010 0.000 0.969 1311 D CA 0.913 54.908 54.000 -0.008 0.000 0.842 1311 D CB -0.379 40.416 40.800 -0.008 0.000 0.957 1311 D HN 0.909 nan 8.370 nan 0.000 0.484 1312 A N -0.114 122.699 122.820 -0.012 0.000 2.310 1312 A HA 0.475 4.795 4.320 0.000 0.000 0.260 1312 A C 0.338 177.912 177.584 -0.017 0.000 1.112 1312 A CA -0.188 51.840 52.037 -0.015 0.000 0.804 1312 A CB 0.446 19.436 19.000 -0.017 0.000 1.081 1312 A HN 0.327 nan 8.150 nan 0.000 0.499 1313 N N 0.024 118.711 118.700 -0.021 0.000 2.626 1313 N HA 0.375 5.115 4.740 0.000 0.000 0.242 1313 N C 0.815 176.306 175.510 -0.031 0.000 1.005 1313 N CA 0.350 53.386 53.050 -0.023 0.000 0.905 1313 N CB 1.360 39.835 38.487 -0.021 0.000 1.128 1313 N HN 0.620 nan 8.380 nan 0.000 0.512 1314 A N 2.576 125.378 122.820 -0.030 0.000 1.903 1314 A HA -0.223 4.097 4.320 0.000 0.000 0.219 1314 A C 2.239 179.791 177.584 -0.053 0.000 1.191 1314 A CA 2.366 54.380 52.037 -0.038 0.000 0.638 1314 A CB -0.767 18.217 19.000 -0.028 0.000 0.823 1314 A HN 0.654 nan 8.150 nan 0.000 0.451 1315 S N -0.968 114.707 115.700 -0.042 0.000 2.359 1315 S HA -0.171 4.299 4.470 0.000 0.000 0.223 1315 S C 1.916 176.473 174.600 -0.072 0.000 1.039 1315 S CA 1.920 60.091 58.200 -0.048 0.000 1.042 1315 S CB -0.654 62.531 63.200 -0.025 0.000 0.915 1315 S HN 0.344 nan 8.310 nan 0.000 0.439 1316 V N 2.172 122.052 119.914 -0.057 0.000 2.287 1316 V HA -0.171 3.949 4.120 0.000 0.000 0.248 1316 V C 2.308 178.349 176.094 -0.088 0.000 1.053 1316 V CA 2.130 64.394 62.300 -0.061 0.000 1.027 1316 V CB -0.624 31.176 31.823 -0.040 0.000 0.646 1316 V HN 0.553 nan 8.190 nan 0.000 0.447 1317 I N -0.686 119.834 120.570 -0.084 0.000 2.127 1317 I HA -0.302 3.868 4.170 0.000 0.000 0.241 1317 I C 2.476 178.497 176.117 -0.161 0.000 1.075 1317 I CA 1.684 62.926 61.300 -0.095 0.000 1.334 1317 I CB -0.630 37.327 38.000 -0.072 0.000 1.040 1317 I HN 0.325 nan 8.210 nan 0.000 0.405 1318 L N 1.412 122.516 121.223 -0.197 0.000 1.978 1318 L HA -0.301 4.039 4.340 0.000 0.000 0.218 1318 L C 2.242 178.710 176.870 -0.670 0.000 1.075 1318 L CA 2.052 56.678 54.840 -0.357 0.000 0.767 1318 L CB -1.024 40.863 42.059 -0.287 0.000 0.890 1318 L HN 0.251 nan 8.230 nan 0.000 0.434 1319 N N -0.258 118.142 118.700 -0.500 0.000 2.348 1319 N HA -0.176 4.564 4.740 0.000 0.000 0.185 1319 N C 1.317 176.682 175.510 -0.241 0.000 1.019 1319 N CA 1.130 53.928 53.050 -0.420 0.000 0.880 1319 N CB -0.269 38.142 38.487 -0.127 0.000 0.965 1319 N HN 0.504 nan 8.380 nan 0.000 0.437 1320 N N 0.316 118.898 118.700 -0.196 0.000 2.416 1320 N HA 0.007 4.747 4.740 0.000 0.000 0.177 1320 N C 1.490 176.949 175.510 -0.086 0.000 1.036 1320 N CA 0.105 53.096 53.050 -0.099 0.000 0.901 1320 N CB -0.007 38.436 38.487 -0.074 0.000 0.976 1320 N HN 0.169 nan 8.380 nan 0.000 0.444 1321 L N -0.007 121.121 121.223 -0.158 0.000 2.131 1321 L HA -0.034 4.306 4.340 0.000 0.000 0.206 1321 L C 1.562 178.470 176.870 0.065 0.000 1.087 1321 L CA 1.163 55.961 54.840 -0.070 0.000 0.767 1321 L CB -1.492 40.511 42.059 -0.094 0.000 0.917 1321 L HN 0.145 nan 8.230 nan 0.000 0.441 1322 Y N 0.430 120.731 120.300 0.001 0.000 2.384 1322 Y HA -0.223 4.327 4.550 0.000 0.000 0.289 1322 Y C 2.599 178.500 175.900 0.002 0.000 1.152 1322 Y CA 0.805 58.907 58.100 0.003 0.000 1.258 1322 Y CB -0.722 37.741 38.460 0.006 0.000 0.979 1322 Y HN 0.255 nan 8.280 nan 0.000 0.549 1323 K N -0.403 120.080 120.400 0.138 0.000 2.161 1323 K HA -0.031 4.289 4.320 0.000 0.000 0.205 1323 K C 2.327 178.956 176.600 0.048 0.000 1.035 1323 K CA 0.935 57.269 56.287 0.077 0.000 0.970 1323 K CB 0.027 32.556 32.500 0.048 0.000 0.866 1323 K HN 0.180 nan 8.250 nan 0.000 0.461 1324 Q N 0.521 120.339 119.800 0.031 0.000 2.444 1324 Q HA 0.034 4.374 4.340 0.000 0.000 0.206 1324 Q C 0.648 176.659 176.000 0.019 0.000 0.948 1324 Q CA 0.993 56.806 55.803 0.017 0.000 0.946 1324 Q CB -0.068 28.672 28.738 0.003 0.000 1.027 1324 Q HN 0.560 nan 8.270 nan 0.000 0.513 1325 T N -6.087 108.488 114.554 0.035 0.000 2.841 1325 T HA 0.522 4.872 4.350 0.000 0.000 0.296 1325 T C -2.572 172.152 174.700 0.041 0.000 1.166 1325 T CA -1.341 60.777 62.100 0.031 0.000 1.007 1325 T CB 1.728 70.613 68.868 0.028 0.000 1.253 1325 T HN -0.073 nan 8.240 nan 0.000 0.511 1326 P HA 0.065 nan 4.420 nan 0.000 0.231 1326 P C 1.406 178.725 177.300 0.031 0.000 1.158 1326 P CA 0.079 63.188 63.100 0.014 0.000 0.763 1326 P CB -0.095 31.603 31.700 -0.004 0.000 0.805 1327 L N -1.039 120.223 121.223 0.066 0.000 2.349 1327 L HA -0.104 4.236 4.340 0.000 0.000 0.220 1327 L C 1.002 177.933 176.870 0.102 0.000 1.130 1327 L CA 1.659 56.564 54.840 0.107 0.000 0.791 1327 L CB -0.530 41.630 42.059 0.169 0.000 0.918 1327 L HN 0.030 nan 8.230 nan 0.000 0.444 1328 Q N -1.124 118.720 119.800 0.073 0.000 2.323 1328 Q HA 0.416 4.756 4.340 0.000 0.000 0.271 1328 Q C -1.328 174.672 176.000 0.000 0.000 1.048 1328 Q CA -0.512 55.283 55.803 -0.012 0.000 0.792 1328 Q CB 1.746 30.450 28.738 -0.057 0.000 1.280 1328 Q HN 0.037 nan 8.270 nan 0.000 0.441 1329 T N 1.726 116.271 114.554 -0.014 0.000 2.900 1329 T HA 0.368 4.718 4.350 0.000 0.000 0.295 1329 T C -1.059 173.646 174.700 0.009 0.000 1.044 1329 T CA -0.553 61.541 62.100 -0.010 0.000 0.995 1329 T CB 1.798 70.651 68.868 -0.026 0.000 1.072 1329 T HN 0.508 nan 8.240 nan 0.000 0.473 1330 S N 1.530 117.238 115.700 0.012 0.000 2.554 1330 S HA 0.638 5.108 4.470 0.000 0.000 0.278 1330 S C -0.941 173.703 174.600 0.074 0.000 1.242 1330 S CA -0.637 57.592 58.200 0.048 0.000 1.051 1330 S CB 0.119 63.336 63.200 0.028 0.000 0.986 1330 S HN 0.546 nan 8.310 nan 0.000 0.502 1331 F N 3.537 123.489 119.950 0.003 0.000 2.361 1331 F HA 0.569 5.096 4.527 0.000 0.000 0.364 1331 F C 0.705 176.529 175.800 0.040 0.000 1.117 1331 F CA -0.621 57.394 58.000 0.024 0.000 1.071 1331 F CB 0.731 39.778 39.000 0.079 0.000 1.188 1331 F HN 0.691 nan 8.300 nan 0.000 0.464 1332 G N 6.545 115.295 108.800 -0.085 0.000 2.639 1332 G HA2 0.407 4.367 3.960 0.000 0.000 0.312 1332 G HA3 0.407 4.367 3.960 0.000 0.000 0.312 1332 G C -0.421 174.551 174.900 0.119 0.000 0.911 1332 G CA -0.393 44.720 45.100 0.022 0.000 1.410 1332 G HN 0.547 nan 8.290 nan 0.000 0.469 1333 V N 2.265 122.378 119.914 0.332 0.000 2.999 1333 V HA 0.158 4.278 4.120 0.000 0.000 0.307 1333 V C 0.566 176.775 176.094 0.191 0.000 1.084 1333 V CA -0.033 62.480 62.300 0.356 0.000 1.155 1333 V CB 1.287 33.279 31.823 0.282 0.000 0.975 1333 V HN 0.808 nan 8.190 nan 0.000 0.490 1334 N N 2.701 121.512 118.700 0.184 0.000 3.354 1334 N HA 0.162 4.902 4.740 0.000 0.000 0.196 1334 N C -0.740 174.840 175.510 0.118 0.000 1.486 1334 N CA -0.234 52.886 53.050 0.116 0.000 0.768 1334 N CB 0.373 38.904 38.487 0.073 0.000 1.625 1334 N HN 0.632 nan 8.380 nan 0.000 0.636 1335 M N 3.107 122.779 119.600 0.120 0.000 3.254 1335 M HA 0.262 4.742 4.480 0.000 0.000 0.257 1335 M C -0.337 176.005 176.300 0.070 0.000 1.490 1335 M CA 0.322 55.687 55.300 0.108 0.000 1.620 1335 M CB -0.486 32.183 32.600 0.116 0.000 1.157 1335 M HN 0.325 nan 8.290 nan 0.000 0.541 1336 I N 1.585 122.190 120.570 0.059 0.000 2.412 1336 I HA 0.748 4.918 4.170 0.000 0.000 0.296 1336 I C 0.043 176.173 176.117 0.021 0.000 0.987 1336 I CA -0.575 60.745 61.300 0.034 0.000 1.180 1336 I CB 1.732 39.750 38.000 0.030 0.000 1.340 1336 I HN 0.543 nan 8.210 nan 0.000 0.455 1337 A N 5.728 128.546 122.820 -0.003 0.000 2.612 1337 A HA 0.561 4.881 4.320 0.000 0.000 0.293 1337 A C -1.314 176.240 177.584 -0.049 0.000 1.075 1337 A CA -0.611 51.413 52.037 -0.021 0.000 0.680 1337 A CB 1.410 20.394 19.000 -0.028 0.000 1.279 1337 A HN 0.468 nan 8.150 nan 0.000 0.411 1338 L N 2.033 123.225 121.223 -0.053 0.000 2.600 1338 L HA 0.257 4.597 4.340 0.000 0.000 0.278 1338 L C -0.343 176.456 176.870 -0.118 0.000 1.139 1338 L CA 0.655 55.455 54.840 -0.068 0.000 0.933 1338 L CB -0.247 41.780 42.059 -0.054 0.000 1.266 1338 L HN 0.421 nan 8.230 nan 0.000 0.471 1339 V N 5.013 124.843 119.914 -0.141 0.000 2.417 1339 V HA 0.374 4.494 4.120 0.000 0.000 0.291 1339 V C 0.574 176.595 176.094 -0.123 0.000 1.024 1339 V CA -1.113 61.055 62.300 -0.220 0.000 0.861 1339 V CB 1.413 33.023 31.823 -0.355 0.000 0.985 1339 V HN 0.798 nan 8.190 nan 0.000 0.436 1340 N N 4.078 122.721 118.700 -0.095 0.000 2.714 1340 N HA -0.234 4.506 4.740 0.000 0.000 0.253 1340 N C 1.298 176.788 175.510 -0.033 0.000 1.024 1340 N CA 1.173 54.199 53.050 -0.042 0.000 0.726 1340 N CB -0.855 37.623 38.487 -0.017 0.000 0.908 1340 N HN 1.508 nan 8.380 nan 0.000 0.542 1341 G N -0.872 107.904 108.800 -0.040 0.000 2.270 1341 G HA2 -0.391 3.569 3.960 0.000 0.000 0.268 1341 G HA3 -0.391 3.569 3.960 0.000 0.000 0.268 1341 G C 0.283 175.169 174.900 -0.023 0.000 0.982 1341 G CA 1.112 46.196 45.100 -0.027 0.000 0.628 1341 G HN 0.591 nan 8.290 nan 0.000 0.544 1342 R N 0.763 121.246 120.500 -0.028 0.000 2.589 1342 R HA 0.515 4.855 4.340 0.000 0.000 0.293 1342 R C -2.742 173.540 176.300 -0.029 0.000 0.963 1342 R CA -2.134 53.954 56.100 -0.021 0.000 0.905 1342 R CB 1.613 31.905 30.300 -0.013 0.000 1.144 1342 R HN 0.028 nan 8.270 nan 0.000 0.459 1343 P HA 0.048 nan 4.420 nan 0.000 0.271 1343 P C -1.200 176.090 177.300 -0.016 0.000 1.226 1343 P CA 0.038 63.129 63.100 -0.016 0.000 0.765 1343 P CB 0.648 32.346 31.700 -0.004 0.000 0.835 1344 K N 3.161 123.547 120.400 -0.024 0.000 2.477 1344 K HA 0.544 4.864 4.320 0.000 0.000 0.255 1344 K C -1.447 175.153 176.600 -0.001 0.000 0.952 1344 K CA -1.020 55.258 56.287 -0.015 0.000 0.826 1344 K CB 1.673 34.152 32.500 -0.035 0.000 1.331 1344 K HN 0.329 nan 8.250 nan 0.000 0.437 1345 L N 6.071 127.304 121.223 0.016 0.000 2.292 1345 L HA 0.555 4.895 4.340 0.000 0.000 0.284 1345 L C -0.695 176.200 176.870 0.041 0.000 1.065 1345 L CA -0.601 54.258 54.840 0.032 0.000 0.806 1345 L CB 0.581 42.663 42.059 0.037 0.000 1.175 1345 L HN 0.672 nan 8.230 nan 0.000 0.431 1346 I N 1.164 121.765 120.570 0.051 0.000 2.785 1346 I HA 0.568 4.738 4.170 0.000 0.000 0.302 1346 I C -1.079 175.079 176.117 0.068 0.000 1.069 1346 I CA -0.977 60.361 61.300 0.064 0.000 1.045 1346 I CB 2.129 40.169 38.000 0.066 0.000 1.236 1346 I HN 0.655 nan 8.210 nan 0.000 0.429 1347 N N 3.685 122.423 118.700 0.062 0.000 2.604 1347 N HA 0.311 5.051 4.740 0.000 0.000 0.297 1347 N C 0.687 176.202 175.510 0.009 0.000 1.266 1347 N CA -0.995 52.092 53.050 0.062 0.000 0.961 1347 N CB 0.740 39.263 38.487 0.061 0.000 1.166 1347 N HN 0.739 nan 8.380 nan 0.000 0.601 1348 L N -0.135 121.063 121.223 -0.043 0.000 1.956 1348 L HA -0.197 4.143 4.340 0.000 0.000 0.216 1348 L C 2.090 178.865 176.870 -0.160 0.000 1.073 1348 L CA 2.175 56.877 54.840 -0.231 0.000 0.762 1348 L CB -0.870 40.888 42.059 -0.501 0.000 0.889 1348 L HN 0.918 nan 8.230 nan 0.000 0.433 1349 K N 0.006 120.344 120.400 -0.103 0.000 2.001 1349 K HA -0.260 4.060 4.320 0.000 0.000 0.214 1349 K C 1.843 178.415 176.600 -0.047 0.000 1.050 1349 K CA 2.324 58.567 56.287 -0.074 0.000 0.934 1349 K CB -0.180 32.291 32.500 -0.048 0.000 0.718 1349 K HN 0.440 nan 8.250 nan 0.000 0.443 1350 E N -0.082 120.110 120.200 -0.015 0.000 2.097 1350 E HA -0.258 4.092 4.350 0.000 0.000 0.196 1350 E C 2.025 178.694 176.600 0.115 0.000 1.000 1350 E CA 1.292 57.708 56.400 0.027 0.000 0.804 1350 E CB -0.255 29.500 29.700 0.091 0.000 0.740 1350 E HN 0.503 nan 8.360 nan 0.000 0.454 1351 A N 0.904 123.771 122.820 0.079 0.000 1.883 1351 A HA -0.200 4.120 4.320 0.000 0.000 0.217 1351 A C 2.169 179.802 177.584 0.082 0.000 1.186 1351 A CA 1.360 53.445 52.037 0.081 0.000 0.624 1351 A CB -0.601 18.390 19.000 -0.016 0.000 0.822 1351 A HN 0.120 nan 8.150 nan 0.000 0.444 1352 L N -0.582 120.647 121.223 0.009 0.000 2.093 1352 L HA -0.129 4.211 4.340 0.000 0.000 0.208 1352 L C 2.547 179.472 176.870 0.092 0.000 1.085 1352 L CA 1.202 56.067 54.840 0.041 0.000 0.755 1352 L CB -0.464 41.574 42.059 -0.036 0.000 0.904 1352 L HN 0.229 nan 8.230 nan 0.000 0.435 1353 V N -0.915 119.001 119.914 0.004 0.000 2.255 1353 V HA -0.357 3.763 4.120 0.000 0.000 0.247 1353 V C 2.351 178.401 176.094 -0.074 0.000 1.051 1353 V CA 2.123 64.379 62.300 -0.074 0.000 1.018 1353 V CB -0.903 30.808 31.823 -0.187 0.000 0.641 1353 V HN 0.493 nan 8.190 nan 0.000 0.445 1354 H N -1.968 117.124 119.070 0.036 0.000 2.422 1354 H HA -0.193 4.364 4.556 0.000 0.000 0.298 1354 H C 2.022 177.380 175.328 0.050 0.000 1.098 1354 H CA 2.241 58.307 56.048 0.030 0.000 1.315 1354 H CB -0.249 29.524 29.762 0.018 0.000 1.382 1354 H HN 0.588 nan 8.280 nan 0.000 0.523 1355 Y N 0.585 120.940 120.300 0.092 0.000 2.092 1355 Y HA -0.219 4.331 4.550 0.000 0.000 0.282 1355 Y C 2.367 178.308 175.900 0.069 0.000 1.126 1355 Y CA 1.108 59.245 58.100 0.062 0.000 1.111 1355 Y CB -0.462 38.007 38.460 0.014 0.000 0.987 1355 Y HN 0.178 nan 8.280 nan 0.000 0.489 1356 L N 1.248 122.475 121.223 0.007 0.000 2.043 1356 L HA -0.221 4.119 4.340 0.000 0.000 0.212 1356 L C 2.224 179.010 176.870 -0.140 0.000 1.075 1356 L CA 2.512 57.298 54.840 -0.089 0.000 0.752 1356 L CB -1.146 40.927 42.059 0.024 0.000 0.891 1356 L HN 0.439 nan 8.230 nan 0.000 0.432 1357 E N -0.885 119.271 120.200 -0.074 0.000 2.070 1357 E HA -0.326 4.024 4.350 0.000 0.000 0.197 1357 E C 2.364 178.924 176.600 -0.067 0.000 1.004 1357 E CA 1.970 58.337 56.400 -0.055 0.000 0.805 1357 E CB -0.596 29.094 29.700 -0.016 0.000 0.744 1357 E HN 0.726 nan 8.360 nan 0.000 0.451 1358 H N -0.659 118.302 119.070 -0.182 0.000 2.387 1358 H HA -0.121 4.435 4.556 0.000 0.000 0.299 1358 H C 1.648 176.825 175.328 -0.251 0.000 1.099 1358 H CA 1.668 57.594 56.048 -0.204 0.000 1.315 1358 H CB 0.360 29.983 29.762 -0.231 0.000 1.380 1358 H HN 0.208 nan 8.280 nan 0.000 0.513 1359 Q N 0.852 120.411 119.800 -0.401 0.000 2.123 1359 Q HA -0.076 4.264 4.340 0.000 0.000 0.199 1359 Q C 2.258 178.113 176.000 -0.242 0.000 0.966 1359 Q CA 0.881 56.457 55.803 -0.377 0.000 0.845 1359 Q CB -0.131 28.397 28.738 -0.351 0.000 0.907 1359 Q HN 0.548 nan 8.270 nan 0.000 0.439 1360 K N -0.098 120.194 120.400 -0.179 0.000 2.148 1360 K HA -0.044 4.276 4.320 0.000 0.000 0.204 1360 K C 2.088 178.615 176.600 -0.122 0.000 1.050 1360 K CA 1.422 57.639 56.287 -0.118 0.000 0.942 1360 K CB -0.013 32.437 32.500 -0.083 0.000 0.724 1360 K HN 0.157 nan 8.250 nan 0.000 0.446 1361 T N 1.055 115.515 114.554 -0.157 0.000 2.812 1361 T HA -0.078 4.272 4.350 0.000 0.000 0.264 1361 T C 2.124 176.719 174.700 -0.175 0.000 1.042 1361 T CA 0.987 63.002 62.100 -0.141 0.000 1.140 1361 T CB -0.197 68.595 68.868 -0.126 0.000 0.870 1361 T HN -0.073 nan 8.240 nan 0.000 0.445 1362 V N 1.441 121.180 119.914 -0.292 0.000 2.255 1362 V HA -0.161 3.959 4.120 0.000 0.000 0.247 1362 V C 2.705 178.716 176.094 -0.140 0.000 1.051 1362 V CA 1.436 63.580 62.300 -0.260 0.000 1.018 1362 V CB -0.831 30.776 31.823 -0.361 0.000 0.641 1362 V HN 0.297 nan 8.190 nan 0.000 0.445 1363 V N 0.037 119.877 119.914 -0.123 0.000 2.295 1363 V HA -0.277 3.843 4.120 0.000 0.000 0.246 1363 V C 2.577 178.646 176.094 -0.041 0.000 1.049 1363 V CA 2.501 64.762 62.300 -0.066 0.000 1.024 1363 V CB -0.787 31.002 31.823 -0.056 0.000 0.648 1363 V HN 0.524 nan 8.190 nan 0.000 0.447 1364 R N 0.146 120.616 120.500 -0.050 0.000 2.070 1364 R HA -0.165 4.175 4.340 0.000 0.000 0.233 1364 R C 2.532 178.824 176.300 -0.014 0.000 1.137 1364 R CA 1.730 57.811 56.100 -0.031 0.000 0.945 1364 R CB -0.278 30.001 30.300 -0.035 0.000 0.845 1364 R HN 0.381 nan 8.270 nan 0.000 0.430 1365 R N -0.125 120.361 120.500 -0.023 0.000 2.127 1365 R HA -0.138 4.202 4.340 0.000 0.000 0.238 1365 R C 2.517 178.842 176.300 0.042 0.000 1.134 1365 R CA 1.404 57.507 56.100 0.005 0.000 0.975 1365 R CB -0.297 29.994 30.300 -0.015 0.000 0.865 1365 R HN 0.274 nan 8.270 nan 0.000 0.447 1366 R N 0.278 120.791 120.500 0.021 0.000 2.062 1366 R HA -0.076 4.264 4.340 0.000 0.000 0.229 1366 R C 1.813 178.177 176.300 0.105 0.000 1.128 1366 R CA 1.801 57.936 56.100 0.057 0.000 0.960 1366 R CB -0.273 30.038 30.300 0.019 0.000 0.855 1366 R HN 0.146 nan 8.270 nan 0.000 0.432 1367 T N 1.481 116.065 114.554 0.050 0.000 2.624 1367 T HA -0.234 4.117 4.350 0.000 0.000 0.268 1367 T C 1.894 176.605 174.700 0.017 0.000 1.041 1367 T CA 1.806 63.920 62.100 0.024 0.000 1.159 1367 T CB -0.291 68.573 68.868 -0.008 0.000 0.863 1367 T HN 0.391 nan 8.240 nan 0.000 0.434 1368 Q N -0.464 119.352 119.800 0.027 0.000 2.030 1368 Q HA -0.159 4.181 4.340 0.000 0.000 0.204 1368 Q C 2.096 178.120 176.000 0.039 0.000 0.986 1368 Q CA 1.983 57.797 55.803 0.017 0.000 0.843 1368 Q CB -0.406 28.346 28.738 0.023 0.000 0.904 1368 Q HN 0.698 nan 8.270 nan 0.000 0.420 1369 Y N 1.606 121.898 120.300 -0.014 0.000 2.081 1369 Y HA -0.339 4.211 4.550 -0.000 0.000 0.280 1369 Y C 1.900 177.802 175.900 0.003 0.000 1.163 1369 Y CA 1.833 59.933 58.100 -0.000 0.000 1.135 1369 Y CB -0.256 38.212 38.460 0.014 0.000 0.970 1369 Y HN 0.144 nan 8.280 nan 0.000 0.498 1370 N N 0.520 119.331 118.700 0.186 0.000 2.104 1370 N HA -0.193 4.547 4.740 0.000 0.000 0.190 1370 N C 1.827 177.277 175.510 -0.099 0.000 1.024 1370 N CA 1.576 54.681 53.050 0.092 0.000 0.853 1370 N CB -0.650 37.945 38.487 0.181 0.000 1.008 1370 N HN 0.459 nan 8.380 nan 0.000 0.424 1371 L N 1.944 123.088 121.223 -0.132 0.000 2.056 1371 L HA -0.083 4.257 4.340 0.000 0.000 0.207 1371 L C 2.232 179.016 176.870 -0.142 0.000 1.078 1371 L CA 1.581 56.318 54.840 -0.171 0.000 0.749 1371 L CB -0.458 41.517 42.059 -0.141 0.000 0.901 1371 L HN 0.186 nan 8.230 nan 0.000 0.433 1372 R N -0.706 119.703 120.500 -0.152 0.000 2.240 1372 R HA -0.073 4.267 4.340 0.000 0.000 0.203 1372 R C 2.126 178.313 176.300 -0.188 0.000 1.011 1372 R CA 1.072 57.084 56.100 -0.147 0.000 1.007 1372 R CB -0.494 29.727 30.300 -0.131 0.000 0.911 1372 R HN 0.332 nan 8.270 nan 0.000 0.468 1373 K N 0.582 120.817 120.400 -0.274 0.000 2.243 1373 K HA 0.086 4.406 4.320 0.000 0.000 0.201 1373 K C 1.754 178.297 176.600 -0.095 0.000 1.051 1373 K CA 0.879 57.008 56.287 -0.263 0.000 0.970 1373 K CB 0.068 32.289 32.500 -0.465 0.000 0.755 1373 K HN 0.258 nan 8.250 nan 0.000 0.465 1374 A N 1.759 124.545 122.820 -0.056 0.000 1.898 1374 A HA -0.084 4.236 4.320 0.000 0.000 0.214 1374 A C 1.894 179.493 177.584 0.026 0.000 1.183 1374 A CA 1.091 53.144 52.037 0.026 0.000 0.622 1374 A CB -0.216 18.804 19.000 0.034 0.000 0.824 1374 A HN 0.230 nan 8.150 nan 0.000 0.444 1375 K N -0.082 120.312 120.400 -0.011 0.000 1.991 1375 K HA -0.186 4.134 4.320 0.000 0.000 0.212 1375 K C 1.660 178.290 176.600 0.050 0.000 1.049 1375 K CA 1.569 57.866 56.287 0.018 0.000 0.932 1375 K CB -0.377 32.113 32.500 -0.018 0.000 0.717 1375 K HN 0.356 nan 8.250 nan 0.000 0.441 1376 D N 0.286 120.686 120.400 -0.000 0.000 2.157 1376 D HA -0.213 4.427 4.640 0.000 0.000 0.191 1376 D C 2.015 178.359 176.300 0.073 0.000 1.004 1376 D CA 1.416 55.421 54.000 0.007 0.000 0.854 1376 D CB -0.088 40.688 40.800 -0.040 0.000 0.936 1376 D HN 0.058 nan 8.370 nan 0.000 0.446 1377 R N 0.743 121.282 120.500 0.064 0.000 2.093 1377 R HA 0.092 4.432 4.340 0.000 0.000 0.224 1377 R C 1.933 178.307 176.300 0.124 0.000 1.101 1377 R CA 1.508 57.657 56.100 0.082 0.000 0.979 1377 R CB -0.616 29.727 30.300 0.071 0.000 0.877 1377 R HN 0.070 nan 8.270 nan 0.000 0.441 1378 A N -0.453 122.462 122.820 0.160 0.000 1.902 1378 A HA -0.202 4.118 4.320 0.000 0.000 0.217 1378 A C 2.094 179.804 177.584 0.209 0.000 1.181 1378 A CA 1.839 54.030 52.037 0.256 0.000 0.623 1378 A CB -0.981 18.160 19.000 0.236 0.000 0.818 1378 A HN 0.654 nan 8.150 nan 0.000 0.443 1379 H N -0.101 119.015 119.070 0.077 0.000 2.319 1379 H HA -0.118 4.438 4.556 0.000 0.000 0.299 1379 H C 1.748 177.072 175.328 -0.006 0.000 1.092 1379 H CA 2.166 58.233 56.048 0.031 0.000 1.302 1379 H CB -0.083 29.688 29.762 0.015 0.000 1.373 1379 H HN 0.336 nan 8.280 nan 0.000 0.497 1380 I N 0.412 121.041 120.570 0.099 0.000 2.361 1380 I HA -0.224 3.946 4.170 0.000 0.000 0.251 1380 I C 2.364 178.439 176.117 -0.070 0.000 1.133 1380 I CA 1.032 62.342 61.300 0.016 0.000 1.413 1380 I CB -0.998 37.035 38.000 0.055 0.000 1.073 1380 I HN 0.405 nan 8.210 nan 0.000 0.424 1381 L N 0.227 121.413 121.223 -0.062 0.000 2.109 1381 L HA -0.161 4.179 4.340 0.000 0.000 0.207 1381 L C 2.468 179.164 176.870 -0.290 0.000 1.086 1381 L CA 1.044 55.806 54.840 -0.131 0.000 0.760 1381 L CB -0.364 41.664 42.059 -0.052 0.000 0.910 1381 L HN 0.232 nan 8.230 nan 0.000 0.437 1382 E N 0.008 119.995 120.200 -0.354 0.000 2.077 1382 E HA -0.189 4.161 4.350 0.000 0.000 0.193 1382 E C 2.185 178.616 176.600 -0.282 0.000 0.989 1382 E CA 1.174 57.338 56.400 -0.393 0.000 0.800 1382 E CB -0.317 29.191 29.700 -0.320 0.000 0.746 1382 E HN 0.535 nan 8.360 nan 0.000 0.452 1383 G N 0.942 109.583 108.800 -0.266 0.000 2.422 1383 G HA2 -0.221 3.739 3.960 0.000 0.000 0.218 1383 G HA3 -0.221 3.739 3.960 0.000 0.000 0.218 1383 G C 1.543 176.336 174.900 -0.179 0.000 1.146 1383 G CA 0.362 45.335 45.100 -0.212 0.000 0.769 1383 G HN 0.086 nan 8.290 nan 0.000 0.547 1384 L N -0.378 120.749 121.223 -0.160 0.000 2.056 1384 L HA -0.035 4.305 4.340 0.000 0.000 0.207 1384 L C 3.222 180.018 176.870 -0.123 0.000 1.078 1384 L CA 0.972 55.736 54.840 -0.128 0.000 0.749 1384 L CB -0.341 41.659 42.059 -0.099 0.000 0.901 1384 L HN 0.196 nan 8.230 nan 0.000 0.433 1385 R N 0.241 120.651 120.500 -0.150 0.000 2.088 1385 R HA -0.169 4.171 4.340 0.000 0.000 0.232 1385 R C 2.233 178.492 176.300 -0.068 0.000 1.136 1385 R CA 1.568 57.597 56.100 -0.117 0.000 0.926 1385 R CB -0.580 29.614 30.300 -0.178 0.000 0.837 1385 R HN 0.209 nan 8.270 nan 0.000 0.429 1386 I N 1.027 121.536 120.570 -0.102 0.000 2.074 1386 I HA -0.401 3.769 4.170 0.000 0.000 0.238 1386 I C 2.707 178.743 176.117 -0.134 0.000 1.037 1386 I CA 1.655 62.882 61.300 -0.122 0.000 1.301 1386 I CB -0.769 37.112 38.000 -0.198 0.000 1.016 1386 I HN 0.314 nan 8.210 nan 0.000 0.400 1387 A N 1.135 123.839 122.820 -0.194 0.000 1.870 1387 A HA -0.265 4.056 4.320 0.000 0.000 0.219 1387 A C 2.322 179.840 177.584 -0.111 0.000 1.224 1387 A CA 2.176 54.079 52.037 -0.222 0.000 0.650 1387 A CB -1.217 17.666 19.000 -0.194 0.000 0.836 1387 A HN 0.448 nan 8.150 nan 0.000 0.454 1388 L N -0.951 120.235 121.223 -0.062 0.000 2.012 1388 L HA -0.231 4.109 4.340 0.000 0.000 0.210 1388 L C 2.424 179.312 176.870 0.030 0.000 1.073 1388 L CA 1.768 56.594 54.840 -0.023 0.000 0.748 1388 L CB -0.946 41.097 42.059 -0.026 0.000 0.891 1388 L HN 0.421 nan 8.230 nan 0.000 0.431 1389 D N -0.387 120.067 120.400 0.090 0.000 2.103 1389 D HA -0.197 4.443 4.640 0.000 0.000 0.190 1389 D C 1.441 177.813 176.300 0.119 0.000 0.997 1389 D CA 1.630 55.703 54.000 0.122 0.000 0.833 1389 D CB -0.381 40.543 40.800 0.208 0.000 0.961 1389 D HN 0.441 nan 8.370 nan 0.000 0.447 1390 H N 0.261 119.334 119.070 0.005 0.000 2.704 1390 H HA 0.154 4.710 4.556 0.000 0.000 0.315 1390 H C 1.538 176.870 175.328 0.007 0.000 1.117 1390 H CA -0.504 55.576 56.048 0.053 0.000 1.129 1390 H CB -0.220 29.652 29.762 0.182 0.000 1.439 1390 H HN 0.062 nan 8.280 nan 0.000 0.528 1391 I N 0.835 121.452 120.570 0.077 0.000 2.118 1391 I HA -0.300 3.870 4.170 0.000 0.000 0.241 1391 I C 1.579 177.711 176.117 0.026 0.000 1.070 1391 I CA 1.335 62.641 61.300 0.009 0.000 1.327 1391 I CB -0.400 37.597 38.000 -0.006 0.000 1.034 1391 I HN 0.371 nan 8.210 nan 0.000 0.405 1392 D N 0.292 120.719 120.400 0.045 0.000 2.154 1392 D HA -0.272 4.368 4.640 0.000 0.000 0.190 1392 D C 2.049 178.399 176.300 0.083 0.000 1.003 1392 D CA 1.739 55.769 54.000 0.050 0.000 0.849 1392 D CB -0.184 40.643 40.800 0.045 0.000 0.942 1392 D HN 0.369 nan 8.370 nan 0.000 0.446 1393 E N 0.323 120.613 120.200 0.151 0.000 2.023 1393 E HA -0.145 4.205 4.350 0.000 0.000 0.196 1393 E C 2.317 179.059 176.600 0.237 0.000 1.003 1393 E CA 0.662 57.216 56.400 0.257 0.000 0.809 1393 E CB -0.197 29.794 29.700 0.485 0.000 0.755 1393 E HN 0.179 nan 8.360 nan 0.000 0.449 1394 I N 1.180 121.785 120.570 0.057 0.000 2.145 1394 I HA -0.318 3.852 4.170 0.000 0.000 0.244 1394 I C 2.262 178.357 176.117 -0.037 0.000 1.075 1394 I CA 1.379 62.580 61.300 -0.166 0.000 1.332 1394 I CB -1.142 36.673 38.000 -0.308 0.000 1.033 1394 I HN 0.258 nan 8.210 nan 0.000 0.410 1395 I N 0.284 120.848 120.570 -0.010 0.000 2.315 1395 I HA -0.194 3.976 4.170 0.000 0.000 0.248 1395 I C 2.689 178.823 176.117 0.028 0.000 1.117 1395 I CA 1.070 62.371 61.300 0.002 0.000 1.404 1395 I CB -1.232 36.769 38.000 0.002 0.000 1.071 1395 I HN 0.175 nan 8.210 nan 0.000 0.419 1396 S N 0.764 116.497 115.700 0.055 0.000 2.351 1396 S HA -0.220 4.250 4.470 0.000 0.000 0.220 1396 S C 2.195 176.837 174.600 0.070 0.000 1.035 1396 S CA 2.422 60.660 58.200 0.063 0.000 1.031 1396 S CB -0.543 62.704 63.200 0.079 0.000 0.928 1396 S HN 0.624 nan 8.310 nan 0.000 0.433 1397 T N 1.224 115.846 114.554 0.113 0.000 2.915 1397 T HA 0.056 4.407 4.350 0.000 0.000 0.269 1397 T C 1.635 176.380 174.700 0.075 0.000 1.071 1397 T CA 0.861 63.032 62.100 0.118 0.000 1.132 1397 T CB -0.445 68.560 68.868 0.228 0.000 0.878 1397 T HN 0.336 nan 8.240 nan 0.000 0.479 1398 I N -0.023 120.576 120.570 0.049 0.000 2.277 1398 I HA 0.078 4.248 4.170 0.000 0.000 0.243 1398 I C 2.943 179.071 176.117 0.018 0.000 1.094 1398 I CA 0.897 62.210 61.300 0.022 0.000 1.393 1398 I CB -0.374 37.623 38.000 -0.004 0.000 1.078 1398 I HN 0.154 nan 8.210 nan 0.000 0.417 1399 R N 1.321 121.832 120.500 0.018 0.000 2.285 1399 R HA -0.169 4.171 4.340 0.000 0.000 0.213 1399 R C 2.020 178.330 176.300 0.017 0.000 1.068 1399 R CA 1.053 57.161 56.100 0.014 0.000 1.004 1399 R CB 0.026 30.333 30.300 0.012 0.000 0.873 1399 R HN 0.527 nan 8.270 nan 0.000 0.467 1400 E N -0.683 119.531 120.200 0.023 0.000 2.385 1400 E HA 0.038 4.388 4.350 0.000 0.000 0.194 1400 E C -0.327 176.285 176.600 0.019 0.000 1.013 1400 E CA 0.051 56.464 56.400 0.022 0.000 0.866 1400 E CB 0.282 29.998 29.700 0.027 0.000 0.832 1400 E HN -0.018 nan 8.360 nan 0.000 0.500 1401 S N 1.493 117.205 115.700 0.021 0.000 2.548 1401 S HA 0.048 4.518 4.470 0.000 0.000 0.277 1401 S C -0.310 174.297 174.600 0.012 0.000 1.315 1401 S CA -0.312 57.898 58.200 0.018 0.000 1.050 1401 S CB 1.375 64.587 63.200 0.020 0.000 0.918 1401 S HN 0.216 nan 8.310 nan 0.000 0.497 1402 D N 0.922 121.328 120.400 0.010 0.000 2.240 1402 D HA 0.055 4.695 4.640 0.000 0.000 0.206 1402 D C 1.075 177.378 176.300 0.006 0.000 0.963 1402 D CA 0.812 54.816 54.000 0.007 0.000 0.863 1402 D CB 0.248 41.052 40.800 0.007 0.000 0.973 1402 D HN 0.636 nan 8.370 nan 0.000 0.501 1403 T N -2.488 112.070 114.554 0.007 0.000 2.916 1403 T HA 0.292 4.642 4.350 0.000 0.000 0.292 1403 T C 0.124 174.827 174.700 0.006 0.000 1.055 1403 T CA -0.841 61.263 62.100 0.005 0.000 1.009 1403 T CB 2.000 70.871 68.868 0.005 0.000 1.118 1403 T HN -0.361 nan 8.240 nan 0.000 0.497 1404 D N 0.101 120.503 120.400 0.003 0.000 2.263 1404 D HA -0.025 4.615 4.640 0.000 0.000 0.208 1404 D C 1.758 178.061 176.300 0.004 0.000 0.971 1404 D CA 0.993 54.995 54.000 0.002 0.000 0.867 1404 D CB 0.072 40.872 40.800 -0.000 0.000 0.929 1404 D HN 0.715 nan 8.370 nan 0.000 0.492 1405 K N 0.369 120.772 120.400 0.005 0.000 2.076 1405 K HA -0.054 4.266 4.320 0.000 0.000 0.204 1405 K C 1.940 178.546 176.600 0.010 0.000 1.051 1405 K CA 0.637 56.928 56.287 0.006 0.000 0.949 1405 K CB -0.034 32.469 32.500 0.005 0.000 0.726 1405 K HN 0.022 nan 8.250 nan 0.000 0.443 1406 V N 0.779 120.700 119.914 0.011 0.000 2.626 1406 V HA -0.097 4.023 4.120 0.000 0.000 0.252 1406 V C 2.041 178.147 176.094 0.020 0.000 1.067 1406 V CA 1.867 64.176 62.300 0.014 0.000 1.081 1406 V CB -0.366 31.465 31.823 0.013 0.000 0.686 1406 V HN 0.414 nan 8.190 nan 0.000 0.468 1407 A N 0.336 123.167 122.820 0.018 0.000 1.865 1407 A HA -0.218 4.102 4.320 0.000 0.000 0.217 1407 A C 2.304 179.903 177.584 0.024 0.000 1.191 1407 A CA 2.435 54.485 52.037 0.021 0.000 0.623 1407 A CB -0.689 18.317 19.000 0.010 0.000 0.826 1407 A HN 0.497 nan 8.150 nan 0.000 0.444 1408 M N -0.623 118.987 119.600 0.016 0.000 2.089 1408 M HA -0.198 4.282 4.480 0.000 0.000 0.257 1408 M C 2.097 178.414 176.300 0.028 0.000 1.071 1408 M CA 1.717 57.027 55.300 0.017 0.000 1.096 1408 M CB -1.329 31.278 32.600 0.011 0.000 1.330 1408 M HN 0.480 nan 8.290 nan 0.000 0.403 1409 E N -0.166 120.050 120.200 0.027 0.000 2.031 1409 E HA -0.115 4.235 4.350 0.000 0.000 0.193 1409 E C 2.127 178.752 176.600 0.042 0.000 0.994 1409 E CA 1.469 57.887 56.400 0.029 0.000 0.800 1409 E CB -0.096 29.616 29.700 0.020 0.000 0.752 1409 E HN 0.437 nan 8.360 nan 0.000 0.447 1410 S N 1.252 116.982 115.700 0.050 0.000 2.353 1410 S HA -0.161 4.309 4.470 0.000 0.000 0.222 1410 S C 2.214 176.893 174.600 0.132 0.000 1.035 1410 S CA 0.998 59.240 58.200 0.071 0.000 1.025 1410 S CB -0.410 62.837 63.200 0.078 0.000 0.902 1410 S HN 0.180 nan 8.310 nan 0.000 0.440 1411 L N 1.394 122.712 121.223 0.158 0.000 1.990 1411 L HA -0.257 4.083 4.340 0.000 0.000 0.213 1411 L C 2.812 179.819 176.870 0.229 0.000 1.072 1411 L CA 1.561 56.543 54.840 0.237 0.000 0.755 1411 L CB -0.681 41.413 42.059 0.058 0.000 0.889 1411 L HN 0.399 nan 8.230 nan 0.000 0.432 1412 Q N -0.820 119.046 119.800 0.110 0.000 2.124 1412 Q HA -0.277 4.063 4.340 0.000 0.000 0.202 1412 Q C 2.235 178.275 176.000 0.067 0.000 0.977 1412 Q CA 1.502 57.352 55.803 0.078 0.000 0.850 1412 Q CB -0.185 28.581 28.738 0.047 0.000 0.901 1412 Q HN 0.539 nan 8.270 nan 0.000 0.429 1413 Q N 0.537 120.369 119.800 0.052 0.000 2.016 1413 Q HA -0.120 4.220 4.340 0.000 0.000 0.200 1413 Q C 2.085 178.064 176.000 -0.035 0.000 0.978 1413 Q CA 1.283 57.091 55.803 0.009 0.000 0.833 1413 Q CB 0.203 28.943 28.738 0.003 0.000 0.895 1413 Q HN 0.277 nan 8.270 nan 0.000 0.427 1414 R N -1.148 119.311 120.500 -0.067 0.000 2.100 1414 R HA -0.005 4.335 4.340 0.000 0.000 0.220 1414 R C 1.269 177.269 176.300 -0.500 0.000 1.091 1414 R CA 0.837 56.740 56.100 -0.329 0.000 0.986 1414 R CB 0.172 30.159 30.300 -0.521 0.000 0.888 1414 R HN 0.230 nan 8.270 nan 0.000 0.444 1415 F N 0.293 120.204 119.950 -0.065 0.000 2.678 1415 F HA 0.308 4.835 4.527 -0.000 0.000 0.305 1415 F C 0.317 176.058 175.800 -0.098 0.000 1.090 1415 F CA -0.623 57.310 58.000 -0.112 0.000 1.272 1415 F CB 0.362 39.267 39.000 -0.158 0.000 1.060 1415 F HN -0.239 nan 8.300 nan 0.000 0.576 1416 K N 1.221 121.663 120.400 0.070 0.000 3.096 1416 K HA -0.175 4.145 4.320 0.000 0.000 0.266 1416 K C -0.548 176.072 176.600 0.034 0.000 1.043 1416 K CA 0.158 56.465 56.287 0.033 0.000 0.758 1416 K CB -1.625 30.879 32.500 0.006 0.000 1.260 1416 K HN 0.323 nan 8.250 nan 0.000 0.481 1417 L N 0.353 121.607 121.223 0.052 0.000 2.456 1417 L HA 0.349 4.689 4.340 0.000 0.000 0.257 1417 L C 1.211 178.102 176.870 0.035 0.000 1.162 1417 L CA -0.251 54.596 54.840 0.013 0.000 0.808 1417 L CB 1.207 43.263 42.059 -0.005 0.000 1.136 1417 L HN 0.317 nan 8.230 nan 0.000 0.466 1418 S N -0.868 114.865 115.700 0.055 0.000 2.693 1418 S HA 0.178 4.648 4.470 0.000 0.000 0.276 1418 S C 0.768 175.418 174.600 0.083 0.000 1.192 1418 S CA -0.663 57.604 58.200 0.113 0.000 0.994 1418 S CB 1.619 64.988 63.200 0.282 0.000 1.012 1418 S HN 0.665 nan 8.310 nan 0.000 0.550 1419 E N 1.206 121.445 120.200 0.064 0.000 2.049 1419 E HA -0.192 4.158 4.350 0.000 0.000 0.198 1419 E C 1.800 178.425 176.600 0.042 0.000 1.007 1419 E CA 1.608 58.031 56.400 0.038 0.000 0.809 1419 E CB -0.350 29.363 29.700 0.022 0.000 0.749 1419 E HN 0.713 nan 8.360 nan 0.000 0.450 1420 K N 0.182 120.617 120.400 0.060 0.000 2.032 1420 K HA -0.203 4.117 4.320 0.000 0.000 0.209 1420 K C 2.462 179.101 176.600 0.064 0.000 1.048 1420 K CA 1.726 58.050 56.287 0.062 0.000 0.927 1420 K CB -0.198 32.349 32.500 0.077 0.000 0.712 1420 K HN 0.184 nan 8.250 nan 0.000 0.441 1421 Q N 0.110 119.964 119.800 0.089 0.000 2.061 1421 Q HA -0.165 4.175 4.340 0.000 0.000 0.204 1421 Q C 2.267 178.252 176.000 -0.025 0.000 0.984 1421 Q CA 1.576 57.382 55.803 0.006 0.000 0.846 1421 Q CB -0.254 28.448 28.738 -0.061 0.000 0.902 1421 Q HN 0.380 nan 8.270 nan 0.000 0.421 1422 A N 0.675 123.489 122.820 -0.011 0.000 1.908 1422 A HA -0.308 4.012 4.320 0.000 0.000 0.218 1422 A C 2.037 179.606 177.584 -0.025 0.000 1.181 1422 A CA 1.845 53.867 52.037 -0.025 0.000 0.627 1422 A CB -0.620 18.380 19.000 -0.000 0.000 0.818 1422 A HN 0.277 nan 8.150 nan 0.000 0.445 1423 Q N -0.335 119.460 119.800 -0.008 0.000 2.030 1423 Q HA -0.094 4.246 4.340 0.000 0.000 0.204 1423 Q C 2.194 178.184 176.000 -0.017 0.000 0.986 1423 Q CA 2.372 58.170 55.803 -0.008 0.000 0.843 1423 Q CB -0.676 28.064 28.738 0.002 0.000 0.904 1423 Q HN 0.589 nan 8.270 nan 0.000 0.420 1424 A N 0.099 122.909 122.820 -0.016 0.000 1.940 1424 A HA -0.183 4.137 4.320 0.000 0.000 0.219 1424 A C 2.098 179.658 177.584 -0.040 0.000 1.176 1424 A CA 1.674 53.697 52.037 -0.022 0.000 0.631 1424 A CB -0.864 18.125 19.000 -0.019 0.000 0.814 1424 A HN 0.498 nan 8.150 nan 0.000 0.446 1425 I N -0.676 119.858 120.570 -0.059 0.000 2.394 1425 I HA -0.216 3.954 4.170 0.000 0.000 0.251 1425 I C 2.198 178.275 176.117 -0.067 0.000 1.136 1425 I CA 0.931 62.181 61.300 -0.082 0.000 1.425 1425 I CB -0.323 37.600 38.000 -0.128 0.000 1.079 1425 I HN 0.272 nan 8.210 nan 0.000 0.425 1426 L N 0.173 121.366 121.223 -0.050 0.000 2.217 1426 L HA -0.130 4.210 4.340 0.000 0.000 0.211 1426 L C 1.463 178.317 176.870 -0.028 0.000 1.107 1426 L CA 0.962 55.779 54.840 -0.037 0.000 0.783 1426 L CB -0.321 41.723 42.059 -0.026 0.000 0.919 1426 L HN 0.246 nan 8.230 nan 0.000 0.442 1427 D N -0.686 119.699 120.400 -0.026 0.000 2.339 1427 D HA 0.072 4.712 4.640 0.000 0.000 0.217 1427 D C 0.966 177.253 176.300 -0.021 0.000 1.050 1427 D CA 0.170 54.158 54.000 -0.019 0.000 0.856 1427 D CB 0.300 41.092 40.800 -0.013 0.000 0.922 1427 D HN 0.223 nan 8.370 nan 0.000 0.518 1428 M N 1.124 120.707 119.600 -0.029 0.000 2.251 1428 M HA 0.000 4.480 4.480 0.000 0.000 0.343 1428 M C 0.497 176.783 176.300 -0.024 0.000 1.245 1428 M CA 0.709 55.992 55.300 -0.030 0.000 1.061 1428 M CB 0.675 33.250 32.600 -0.042 0.000 1.723 1428 M HN -0.319 nan 8.290 nan 0.000 0.449 1429 R N 2.975 123.464 120.500 -0.019 0.000 2.404 1429 R HA 0.282 4.622 4.340 0.000 0.000 0.291 1429 R C 0.985 177.275 176.300 -0.016 0.000 1.025 1429 R CA -0.623 55.468 56.100 -0.015 0.000 0.991 1429 R CB 0.905 31.198 30.300 -0.010 0.000 1.053 1429 R HN 0.768 nan 8.270 nan 0.000 0.479 1430 L N 2.492 123.707 121.223 -0.014 0.000 2.189 1430 L HA -0.264 4.076 4.340 0.000 0.000 0.214 1430 L C 2.512 179.375 176.870 -0.011 0.000 1.097 1430 L CA 1.677 56.510 54.840 -0.013 0.000 0.764 1430 L CB -0.450 41.602 42.059 -0.010 0.000 0.900 1430 L HN 0.638 nan 8.230 nan 0.000 0.436 1431 R N 0.121 120.616 120.500 -0.010 0.000 2.189 1431 R HA -0.175 4.165 4.340 0.000 0.000 0.223 1431 R C 2.056 178.351 176.300 -0.009 0.000 1.092 1431 R CA 0.995 57.090 56.100 -0.008 0.000 0.989 1431 R CB -0.399 29.898 30.300 -0.006 0.000 0.876 1431 R HN 0.104 nan 8.270 nan 0.000 0.457 1432 R N 0.247 120.739 120.500 -0.012 0.000 2.323 1432 R HA 0.094 4.434 4.340 0.000 0.000 0.198 1432 R C 0.793 177.084 176.300 -0.015 0.000 0.988 1432 R CA 0.255 56.347 56.100 -0.013 0.000 1.041 1432 R CB 0.035 30.325 30.300 -0.017 0.000 0.926 1432 R HN 0.193 nan 8.270 nan 0.000 0.476 1433 L N 0.029 121.243 121.223 -0.014 0.000 2.558 1433 L HA 0.089 4.429 4.340 0.000 0.000 0.225 1433 L C 0.781 177.646 176.870 -0.010 0.000 1.128 1433 L CA 0.704 55.536 54.840 -0.013 0.000 0.868 1433 L CB -0.571 41.480 42.059 -0.013 0.000 1.006 1433 L HN 0.154 nan 8.230 nan 0.000 0.454 1434 T N -3.674 110.875 114.554 -0.008 0.000 2.663 1434 T HA 0.150 4.500 4.350 0.000 0.000 0.325 1434 T C 1.595 176.292 174.700 -0.005 0.000 1.059 1434 T CA 0.052 62.149 62.100 -0.005 0.000 1.039 1434 T CB 0.389 69.254 68.868 -0.004 0.000 0.996 1434 T HN 0.234 nan 8.240 nan 0.000 0.539 1435 G N -0.380 108.418 108.800 -0.003 0.000 2.408 1435 G HA2 -0.039 3.921 3.960 0.000 0.000 0.217 1435 G HA3 -0.039 3.921 3.960 0.000 0.000 0.217 1435 G C 1.444 176.343 174.900 -0.002 0.000 1.150 1435 G CA 0.340 45.439 45.100 -0.003 0.000 0.776 1435 G HN 0.681 nan 8.290 nan 0.000 0.542 1436 L N 0.095 121.318 121.223 -0.001 0.000 2.156 1436 L HA 0.010 4.350 4.340 0.000 0.000 0.208 1436 L C 2.843 179.714 176.870 0.001 0.000 1.095 1436 L CA 0.532 55.373 54.840 0.001 0.000 0.770 1436 L CB -0.324 41.736 42.059 0.001 0.000 0.914 1436 L HN 0.138 nan 8.230 nan 0.000 0.439 1437 E N 0.487 120.687 120.200 -0.001 0.000 2.065 1437 E HA -0.296 4.054 4.350 0.000 0.000 0.201 1437 E C 2.146 178.745 176.600 -0.002 0.000 1.016 1437 E CA 1.391 57.790 56.400 -0.002 0.000 0.818 1437 E CB -0.256 29.440 29.700 -0.007 0.000 0.749 1437 E HN 0.222 nan 8.360 nan 0.000 0.453 1438 R N 1.444 121.942 120.500 -0.004 0.000 2.119 1438 R HA -0.159 4.181 4.340 0.000 0.000 0.246 1438 R C 1.636 177.939 176.300 0.004 0.000 1.146 1438 R CA 1.971 58.068 56.100 -0.004 0.000 0.962 1438 R CB -0.458 29.840 30.300 -0.004 0.000 0.863 1438 R HN 0.176 nan 8.270 nan 0.000 0.442 1439 D N -0.327 120.079 120.400 0.009 0.000 2.194 1439 D HA -0.079 4.561 4.640 0.000 0.000 0.204 1439 D C 1.584 177.897 176.300 0.022 0.000 0.964 1439 D CA 0.925 54.935 54.000 0.017 0.000 0.846 1439 D CB 0.010 40.818 40.800 0.013 0.000 0.962 1439 D HN 0.322 nan 8.370 nan 0.000 0.490 1440 K N 0.592 121.002 120.400 0.017 0.000 2.097 1440 K HA -0.055 4.265 4.320 0.000 0.000 0.206 1440 K C 2.281 178.899 176.600 0.030 0.000 1.049 1440 K CA 0.650 56.949 56.287 0.020 0.000 0.933 1440 K CB 0.036 32.544 32.500 0.013 0.000 0.717 1440 K HN 0.151 nan 8.250 nan 0.000 0.442 1441 I N 0.686 121.269 120.570 0.022 0.000 2.315 1441 I HA -0.237 3.933 4.170 0.000 0.000 0.248 1441 I C 2.420 178.571 176.117 0.058 0.000 1.117 1441 I CA 1.115 62.429 61.300 0.023 0.000 1.404 1441 I CB -0.133 37.860 38.000 -0.012 0.000 1.071 1441 I HN 0.161 nan 8.210 nan 0.000 0.419 1442 E N 1.365 121.599 120.200 0.057 0.000 2.107 1442 E HA -0.123 4.227 4.350 0.000 0.000 0.191 1442 E C 2.101 178.780 176.600 0.132 0.000 0.982 1442 E CA 1.394 57.858 56.400 0.107 0.000 0.809 1442 E CB -0.071 29.672 29.700 0.071 0.000 0.756 1442 E HN 0.392 nan 8.360 nan 0.000 0.459 1443 A N 0.737 123.605 122.820 0.080 0.000 1.873 1443 A HA -0.184 4.136 4.320 0.000 0.000 0.215 1443 A C 2.215 179.838 177.584 0.065 0.000 1.186 1443 A CA 1.646 53.719 52.037 0.060 0.000 0.616 1443 A CB -0.669 18.352 19.000 0.035 0.000 0.823 1443 A HN 0.403 nan 8.150 nan 0.000 0.442 1444 E N -1.647 118.598 120.200 0.076 0.000 2.110 1444 E HA -0.238 4.112 4.350 0.000 0.000 0.193 1444 E C 1.810 178.484 176.600 0.123 0.000 0.988 1444 E CA 1.415 57.861 56.400 0.078 0.000 0.804 1444 E CB -0.286 29.457 29.700 0.072 0.000 0.745 1444 E HN 0.682 nan 8.360 nan 0.000 0.458 1445 Y N 2.092 122.400 120.300 0.014 0.000 2.089 1445 Y HA -0.204 4.346 4.550 0.000 0.000 0.282 1445 Y C 1.981 177.895 175.900 0.024 0.000 1.139 1445 Y CA 1.971 60.082 58.100 0.018 0.000 1.123 1445 Y CB -0.483 37.983 38.460 0.010 0.000 0.980 1445 Y HN 0.081 nan 8.280 nan 0.000 0.493 1446 N N 0.256 118.945 118.700 -0.020 0.000 2.205 1446 N HA -0.192 4.548 4.740 0.000 0.000 0.186 1446 N C 1.973 177.428 175.510 -0.092 0.000 1.015 1446 N CA 1.788 54.773 53.050 -0.109 0.000 0.862 1446 N CB -0.455 38.029 38.487 -0.005 0.000 0.986 1446 N HN 0.729 nan 8.380 nan 0.000 0.429 1447 E N 1.249 121.427 120.200 -0.037 0.000 2.076 1447 E HA 0.004 4.354 4.350 0.000 0.000 0.190 1447 E C 1.995 178.596 176.600 0.002 0.000 0.979 1447 E CA 0.446 56.836 56.400 -0.017 0.000 0.807 1447 E CB -0.717 28.977 29.700 -0.010 0.000 0.761 1447 E HN 0.072 nan 8.360 nan 0.000 0.454 1448 L N 0.192 121.416 121.223 0.001 0.000 2.079 1448 L HA -0.094 4.246 4.340 0.000 0.000 0.210 1448 L C 2.347 179.222 176.870 0.008 0.000 1.081 1448 L CA 1.388 56.264 54.840 0.059 0.000 0.752 1448 L CB -0.703 41.399 42.059 0.071 0.000 0.896 1448 L HN 0.329 nan 8.230 nan 0.000 0.433 1449 L N -0.248 120.886 121.223 -0.148 0.000 2.046 1449 L HA -0.205 4.135 4.340 0.000 0.000 0.208 1449 L C 2.395 179.224 176.870 -0.068 0.000 1.077 1449 L CA 1.446 56.184 54.840 -0.170 0.000 0.747 1449 L CB -1.564 40.307 42.059 -0.313 0.000 0.896 1449 L HN 0.372 nan 8.230 nan 0.000 0.432 1450 N N -1.456 117.224 118.700 -0.034 0.000 2.166 1450 N HA -0.251 4.489 4.740 0.000 0.000 0.186 1450 N C 1.912 177.469 175.510 0.078 0.000 1.019 1450 N CA 1.132 54.188 53.050 0.011 0.000 0.856 1450 N CB -0.283 38.213 38.487 0.015 0.000 0.993 1450 N HN 0.336 nan 8.380 nan 0.000 0.426 1451 Y N 2.109 122.383 120.300 -0.043 0.000 2.163 1451 Y HA -0.006 4.544 4.550 0.000 0.000 0.288 1451 Y C 2.257 178.142 175.900 -0.025 0.000 1.136 1451 Y CA 0.950 59.035 58.100 -0.026 0.000 1.147 1451 Y CB -0.636 37.813 38.460 -0.018 0.000 0.987 1451 Y HN -0.055 nan 8.280 nan 0.000 0.509 1452 I N -0.866 119.634 120.570 -0.117 0.000 2.194 1452 I HA -0.390 3.780 4.170 0.000 0.000 0.246 1452 I C 2.764 178.789 176.117 -0.152 0.000 1.093 1452 I CA 1.828 63.011 61.300 -0.195 0.000 1.355 1452 I CB -0.821 37.120 38.000 -0.098 0.000 1.046 1452 I HN 0.227 nan 8.210 nan 0.000 0.413 1453 S N 0.636 116.285 115.700 -0.085 0.000 2.348 1453 S HA -0.233 4.237 4.470 0.000 0.000 0.221 1453 S C 1.905 176.469 174.600 -0.060 0.000 1.033 1453 S CA 1.795 59.959 58.200 -0.059 0.000 1.010 1453 S CB -0.213 62.968 63.200 -0.033 0.000 0.891 1453 S HN 0.457 nan 8.310 nan 0.000 0.442 1454 E N 0.394 120.567 120.200 -0.045 0.000 2.153 1454 E HA -0.080 4.270 4.350 0.000 0.000 0.194 1454 E C 2.067 178.625 176.600 -0.069 0.000 0.988 1454 E CA 1.168 57.553 56.400 -0.024 0.000 0.811 1454 E CB -0.182 29.547 29.700 0.049 0.000 0.746 1454 E HN 0.494 nan 8.360 nan 0.000 0.466 1455 L N 0.436 121.558 121.223 -0.168 0.000 2.072 1455 L HA -0.124 4.216 4.340 0.000 0.000 0.205 1455 L C 2.524 179.325 176.870 -0.115 0.000 1.079 1455 L CA 0.973 55.701 54.840 -0.186 0.000 0.752 1455 L CB -0.194 41.656 42.059 -0.347 0.000 0.906 1455 L HN 0.110 nan 8.230 nan 0.000 0.436 1456 E N -0.347 119.789 120.200 -0.107 0.000 2.204 1456 E HA -0.187 4.163 4.350 0.000 0.000 0.195 1456 E C 1.872 178.442 176.600 -0.050 0.000 0.990 1456 E CA 1.468 57.825 56.400 -0.071 0.000 0.821 1456 E CB 0.182 29.843 29.700 -0.064 0.000 0.750 1456 E HN 0.408 nan 8.360 nan 0.000 0.477 1457 T N 0.823 115.349 114.554 -0.046 0.000 2.777 1457 T HA -0.091 4.259 4.350 0.000 0.000 0.266 1457 T C 1.837 176.522 174.700 -0.025 0.000 1.040 1457 T CA 1.076 63.159 62.100 -0.029 0.000 1.141 1457 T CB -0.094 68.761 68.868 -0.022 0.000 0.868 1457 T HN 0.171 nan 8.240 nan 0.000 0.444 1458 I N 0.881 121.434 120.570 -0.028 0.000 2.090 1458 I HA -0.155 4.015 4.170 0.000 0.000 0.236 1458 I C 2.333 178.436 176.117 -0.024 0.000 1.064 1458 I CA 1.319 62.606 61.300 -0.021 0.000 1.324 1458 I CB -0.640 37.348 38.000 -0.019 0.000 1.044 1458 I HN 0.143 nan 8.210 nan 0.000 0.399 1459 L N 0.928 122.132 121.223 -0.031 0.000 2.064 1459 L HA -0.305 4.035 4.340 0.000 0.000 0.216 1459 L C 2.826 179.681 176.870 -0.025 0.000 1.077 1459 L CA 1.828 56.650 54.840 -0.029 0.000 0.766 1459 L CB -0.802 41.236 42.059 -0.036 0.000 0.890 1459 L HN 0.324 nan 8.230 nan 0.000 0.435 1460 A N -1.404 121.401 122.820 -0.025 0.000 1.902 1460 A HA -0.181 4.139 4.320 0.000 0.000 0.217 1460 A C 1.211 178.784 177.584 -0.017 0.000 1.181 1460 A CA 1.345 53.369 52.037 -0.021 0.000 0.623 1460 A CB -0.366 18.622 19.000 -0.021 0.000 0.818 1460 A HN 0.384 nan 8.150 nan 0.000 0.443 1461 D N -0.952 119.438 120.400 -0.017 0.000 2.233 1461 D HA 0.218 4.858 4.640 0.000 0.000 0.240 1461 D C 0.666 176.957 176.300 -0.015 0.000 1.074 1461 D CA -0.392 53.600 54.000 -0.014 0.000 0.838 1461 D CB 0.943 41.736 40.800 -0.012 0.000 1.124 1461 D HN 0.144 nan 8.370 nan 0.000 0.475 1462 E N 2.530 122.722 120.200 -0.014 0.000 2.031 1462 E HA -0.153 4.197 4.350 0.000 0.000 0.193 1462 E C 1.288 177.879 176.600 -0.015 0.000 0.994 1462 E CA 0.908 57.299 56.400 -0.016 0.000 0.800 1462 E CB 0.232 29.923 29.700 -0.015 0.000 0.752 1462 E HN 0.621 nan 8.360 nan 0.000 0.447 1463 E N 0.568 120.761 120.200 -0.012 0.000 2.110 1463 E HA -0.109 4.241 4.350 0.000 0.000 0.193 1463 E C 2.277 178.872 176.600 -0.009 0.000 0.988 1463 E CA 0.395 56.789 56.400 -0.010 0.000 0.804 1463 E CB -0.034 29.661 29.700 -0.008 0.000 0.745 1463 E HN 0.038 nan 8.360 nan 0.000 0.458 1464 V N 1.436 121.345 119.914 -0.008 0.000 2.324 1464 V HA -0.274 3.846 4.120 0.000 0.000 0.250 1464 V C 2.514 178.604 176.094 -0.007 0.000 1.060 1464 V CA 1.584 63.881 62.300 -0.006 0.000 1.042 1464 V CB -0.460 31.359 31.823 -0.007 0.000 0.650 1464 V HN 0.194 nan 8.190 nan 0.000 0.450 1465 L N -0.800 120.416 121.223 -0.011 0.000 2.027 1465 L HA -0.096 4.244 4.340 0.000 0.000 0.206 1465 L C 2.198 179.059 176.870 -0.016 0.000 1.074 1465 L CA 1.694 56.526 54.840 -0.014 0.000 0.745 1465 L CB -0.441 41.606 42.059 -0.020 0.000 0.898 1465 L HN 0.298 nan 8.230 nan 0.000 0.433 1466 L N -0.673 120.541 121.223 -0.016 0.000 2.079 1466 L HA -0.243 4.097 4.340 0.000 0.000 0.210 1466 L C 2.489 179.354 176.870 -0.008 0.000 1.081 1466 L CA 1.873 56.703 54.840 -0.016 0.000 0.752 1466 L CB -0.611 41.439 42.059 -0.015 0.000 0.896 1466 L HN 0.415 nan 8.230 nan 0.000 0.433 1467 Q N -0.897 118.900 119.800 -0.005 0.000 2.079 1467 Q HA -0.196 4.144 4.340 0.000 0.000 0.200 1467 Q C 2.086 178.088 176.000 0.005 0.000 0.974 1467 Q CA 1.836 57.640 55.803 0.001 0.000 0.840 1467 Q CB -0.633 28.106 28.738 0.002 0.000 0.898 1467 Q HN 0.470 nan 8.270 nan 0.000 0.430 1468 L N -0.419 120.805 121.223 0.003 0.000 2.021 1468 L HA -0.188 4.152 4.340 0.000 0.000 0.215 1468 L C 2.140 179.014 176.870 0.007 0.000 1.074 1468 L CA 1.754 56.599 54.840 0.008 0.000 0.760 1468 L CB -1.041 41.021 42.059 0.005 0.000 0.889 1468 L HN 0.198 nan 8.230 nan 0.000 0.433 1469 V N -0.794 119.119 119.914 -0.002 0.000 2.343 1469 V HA -0.282 3.838 4.120 0.000 0.000 0.247 1469 V C 2.736 178.840 176.094 0.015 0.000 1.051 1469 V CA 1.822 64.120 62.300 -0.003 0.000 1.036 1469 V CB -0.629 31.180 31.823 -0.024 0.000 0.654 1469 V HN 0.392 nan 8.190 nan 0.000 0.451 1470 R N 0.528 121.036 120.500 0.013 0.000 2.094 1470 R HA -0.163 4.177 4.340 0.000 0.000 0.239 1470 R C 2.052 178.367 176.300 0.025 0.000 1.137 1470 R CA 2.081 58.193 56.100 0.019 0.000 0.943 1470 R CB -0.703 29.604 30.300 0.012 0.000 0.850 1470 R HN 0.554 nan 8.270 nan 0.000 0.433 1471 D N -0.099 120.314 120.400 0.022 0.000 2.097 1471 D HA -0.124 4.516 4.640 0.000 0.000 0.197 1471 D C 1.751 178.072 176.300 0.034 0.000 0.984 1471 D CA 1.188 55.202 54.000 0.024 0.000 0.826 1471 D CB -0.189 40.623 40.800 0.020 0.000 0.973 1471 D HN 0.382 nan 8.370 nan 0.000 0.460 1472 E N 0.576 120.798 120.200 0.038 0.000 2.085 1472 E HA -0.145 4.205 4.350 0.000 0.000 0.194 1472 E C 2.431 179.074 176.600 0.072 0.000 0.994 1472 E CA 0.422 56.853 56.400 0.052 0.000 0.801 1472 E CB -0.126 29.601 29.700 0.045 0.000 0.743 1472 E HN 0.271 nan 8.360 nan 0.000 0.453 1473 L N 0.704 121.970 121.223 0.071 0.000 2.017 1473 L HA -0.182 4.158 4.340 0.000 0.000 0.208 1473 L C 2.620 179.535 176.870 0.075 0.000 1.073 1473 L CA 1.379 56.274 54.840 0.092 0.000 0.745 1473 L CB -0.509 41.606 42.059 0.094 0.000 0.894 1473 L HN 0.181 nan 8.230 nan 0.000 0.432 1474 T N -1.087 113.498 114.554 0.052 0.000 2.720 1474 T HA -0.232 4.118 4.350 0.000 0.000 0.268 1474 T C 1.808 176.531 174.700 0.038 0.000 1.037 1474 T CA 1.367 63.490 62.100 0.037 0.000 1.144 1474 T CB -0.170 68.713 68.868 0.025 0.000 0.864 1474 T HN 0.304 nan 8.240 nan 0.000 0.444 1475 E N 1.037 121.264 120.200 0.044 0.000 2.077 1475 E HA -0.094 4.256 4.350 0.000 0.000 0.193 1475 E C 2.208 178.843 176.600 0.058 0.000 0.989 1475 E CA 1.023 57.446 56.400 0.039 0.000 0.800 1475 E CB -0.285 29.441 29.700 0.042 0.000 0.746 1475 E HN 0.524 nan 8.360 nan 0.000 0.452 1476 I N 1.002 121.640 120.570 0.114 0.000 2.252 1476 I HA -0.240 3.930 4.170 0.000 0.000 0.245 1476 I C 2.911 179.134 176.117 0.177 0.000 1.102 1476 I CA 0.939 62.368 61.300 0.215 0.000 1.385 1476 I CB -0.487 37.664 38.000 0.252 0.000 1.064 1476 I HN 0.067 nan 8.210 nan 0.000 0.414 1477 R N 1.341 121.898 120.500 0.095 0.000 2.105 1477 R HA -0.227 4.113 4.340 0.000 0.000 0.239 1477 R C 1.549 177.865 176.300 0.027 0.000 1.135 1477 R CA 2.035 58.164 56.100 0.049 0.000 0.967 1477 R CB -0.552 29.763 30.300 0.026 0.000 0.861 1477 R HN 0.348 nan 8.270 nan 0.000 0.442 1478 D N 0.035 120.440 120.400 0.009 0.000 2.178 1478 D HA -0.150 4.490 4.640 0.000 0.000 0.202 1478 D C 1.972 178.225 176.300 -0.077 0.000 0.974 1478 D CA 1.023 55.008 54.000 -0.025 0.000 0.841 1478 D CB -0.070 40.715 40.800 -0.025 0.000 0.953 1478 D HN 0.314 nan 8.370 nan 0.000 0.478 1479 R N -1.195 119.220 120.500 -0.141 0.000 2.223 1479 R HA 0.041 4.381 4.340 0.000 0.000 0.198 1479 R C 1.153 177.136 176.300 -0.529 0.000 0.984 1479 R CA 0.456 56.334 56.100 -0.370 0.000 1.018 1479 R CB 0.198 30.175 30.300 -0.538 0.000 0.945 1479 R HN 0.033 nan 8.270 nan 0.000 0.479 1480 F N -0.653 119.274 119.950 -0.039 0.000 2.740 1480 F HA 0.395 4.922 4.527 0.000 0.000 0.304 1480 F C 1.255 177.039 175.800 -0.027 0.000 1.098 1480 F CA -0.058 57.910 58.000 -0.054 0.000 1.258 1480 F CB 0.025 38.935 39.000 -0.150 0.000 1.061 1480 F HN -0.037 nan 8.300 nan 0.000 0.598 1481 G N 1.253 110.118 108.800 0.107 0.000 2.484 1481 G HA2 0.365 4.325 3.960 0.000 0.000 0.235 1481 G HA3 0.365 4.325 3.960 0.000 0.000 0.235 1481 G C -0.692 174.262 174.900 0.090 0.000 1.282 1481 G CA 0.059 45.205 45.100 0.078 0.000 0.857 1481 G HN 0.251 nan 8.290 nan 0.000 0.571 1482 D N -0.235 120.230 120.400 0.108 0.000 2.798 1482 D HA 0.325 4.965 4.640 0.000 0.000 0.308 1482 D C -1.082 175.239 176.300 0.034 0.000 1.187 1482 D CA -0.889 53.150 54.000 0.064 0.000 1.033 1482 D CB 0.434 41.271 40.800 0.062 0.000 1.445 1482 D HN 0.183 nan 8.370 nan 0.000 0.550 1483 D N -0.143 120.263 120.400 0.009 0.000 2.350 1483 D HA 0.181 4.821 4.640 0.000 0.000 0.249 1483 D C 0.282 176.571 176.300 -0.019 0.000 1.119 1483 D CA -0.184 53.813 54.000 -0.005 0.000 0.886 1483 D CB 0.885 41.680 40.800 -0.010 0.000 1.195 1483 D HN 0.318 nan 8.370 nan 0.000 0.437 1484 R N 2.257 122.743 120.500 -0.023 0.000 2.570 1484 R HA 0.067 4.407 4.340 0.000 0.000 0.277 1484 R C 0.536 176.804 176.300 -0.053 0.000 1.039 1484 R CA 0.258 56.331 56.100 -0.045 0.000 1.065 1484 R CB 0.622 30.894 30.300 -0.046 0.000 0.964 1484 R HN 0.435 nan 8.270 nan 0.000 0.428 1485 R N 1.709 122.164 120.500 -0.075 0.000 2.167 1485 R HA 0.097 4.437 4.340 0.000 0.000 0.201 1485 R C 0.128 176.398 176.300 -0.051 0.000 1.024 1485 R CA 0.434 56.499 56.100 -0.058 0.000 1.053 1485 R CB 0.346 30.609 30.300 -0.062 0.000 0.987 1485 R HN 0.522 nan 8.270 nan 0.000 0.493 1486 T N 1.874 116.374 114.554 -0.090 0.000 2.817 1486 T HA 0.085 4.435 4.350 0.000 0.000 0.293 1486 T C -0.491 174.161 174.700 -0.080 0.000 0.964 1486 T CA -0.201 61.851 62.100 -0.080 0.000 1.085 1486 T CB 1.531 70.288 68.868 -0.185 0.000 0.921 1486 T HN 0.096 nan 8.240 nan 0.000 0.502 1487 E N 4.043 124.217 120.200 -0.043 0.000 2.115 1487 E HA 0.219 4.569 4.350 0.000 0.000 0.282 1487 E C -0.448 176.126 176.600 -0.043 0.000 0.987 1487 E CA -0.821 55.555 56.400 -0.040 0.000 0.797 1487 E CB 0.407 30.094 29.700 -0.022 0.000 1.086 1487 E HN 0.363 nan 8.360 nan 0.000 0.397 1488 I N 5.519 126.057 120.570 -0.054 0.000 2.322 1488 I HA 0.067 4.237 4.170 0.000 0.000 0.292 1488 I C 0.444 176.541 176.117 -0.034 0.000 1.060 1488 I CA -0.012 61.257 61.300 -0.051 0.000 1.309 1488 I CB 0.003 37.967 38.000 -0.060 0.000 1.415 1488 I HN 0.622 nan 8.210 nan 0.000 0.492 1489 Q N 6.165 125.948 119.800 -0.028 0.000 2.359 1489 Q HA 0.731 5.071 4.340 0.000 0.000 0.275 1489 Q C 0.333 176.322 176.000 -0.018 0.000 1.082 1489 Q CA -0.783 55.008 55.803 -0.020 0.000 0.849 1489 Q CB 3.176 31.904 28.738 -0.016 0.000 1.377 1489 Q HN 0.546 nan 8.270 nan 0.000 0.452 1490 L N -1.308 119.908 121.223 -0.012 0.000 2.659 1490 L HA -0.266 4.074 4.340 0.000 0.000 0.453 1490 L C 0.412 177.276 176.870 -0.009 0.000 2.467 1490 L CA 1.508 56.343 54.840 -0.008 0.000 2.883 1490 L CB -1.566 40.488 42.059 -0.009 0.000 1.957 1490 L HN 1.093 nan 8.230 nan 0.000 0.821 1491 G N 0.000 108.792 108.800 -0.013 0.000 5.446 1491 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 1491 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1491 G CA 0.000 nan 45.100 nan 0.000 0.502 1491 G HN 0.000 nan 8.290 nan 0.000 0.925