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 1ld7_1_B DATA FIRST_RESID 517 DATA SEQUENCE PVWSEPLYSL RPEHARERLQ DDSVETVTSI EQAKVEEKIQ EVFSSYKFNH DATA SEQUENCE LVPRLVLQRE KHFHYLKRGL RQLTDAYECL DASRPWLCYW ILHSLELLDE DATA SEQUENCE PIPQIVATDV CQFLELCQSP EGGFGGGPGQ YPHLAPTYAA VNALCIIGTE DATA SEQUENCE EAYDIINREK LLQYLYSLKQ PDGSFLMHVG GEVDVRSAYC AASVASLTNI DATA SEQUENCE ITPDLFEGTA EWIARCQNWE GGIGGVPGME AHGGYTFCGL AALVILKRER DATA SEQUENCE SLNLKSLLQW VTSRQMRFEG GFQGRCNKLV DGCYSFWQAG LLPLLHRALH DATA SEQUENCE AQGDPALSMS HWMFHQQALQ EYILMCCQCP AGGLLDKPGK SRDFYHTCYC DATA SEQUENCE LSGLSIAQHF GSGAMLHDVV LGVPENALQP THPVYNIGPD KVIQATTYFL DATA SEQUENCE QKPVPGF 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 517 P HA 0.000 nan 4.420 nan 0.000 0.216 517 P C 0.000 176.884 177.300 -0.694 0.000 1.155 517 P CA 0.000 62.628 63.100 -0.786 0.000 0.800 517 P CB 0.000 30.676 31.700 -1.706 0.000 0.726 518 V N -1.392 118.247 119.914 -0.458 0.000 2.913 518 V HA -0.045 4.076 4.120 0.000 0.000 0.260 518 V C 1.027 177.045 176.094 -0.126 0.000 1.098 518 V CA 1.225 63.398 62.300 -0.212 0.000 1.121 518 V CB -0.842 30.947 31.823 -0.057 0.000 0.714 518 V HN 0.764 nan 8.190 nan 0.000 0.487 519 W N 0.059 121.354 121.300 -0.008 0.000 3.388 519 W HA 0.638 5.298 4.660 0.000 0.000 0.324 519 W C 0.330 176.843 176.519 -0.011 0.000 1.250 519 W CA 0.070 57.410 57.345 -0.008 0.000 1.809 519 W CB -0.522 28.932 29.460 -0.011 0.000 1.083 519 W HN 0.325 nan 8.180 nan 0.000 0.685 520 S N 1.166 116.787 115.700 -0.131 0.000 2.575 520 S HA 0.321 4.791 4.470 0.000 0.000 0.278 520 S C -1.459 173.059 174.600 -0.137 0.000 1.139 520 S CA -0.306 57.847 58.200 -0.078 0.000 0.954 520 S CB 2.034 65.095 63.200 -0.231 0.000 1.054 520 S HN 0.232 nan 8.310 nan 0.000 0.483 521 E N 4.654 124.819 120.200 -0.058 0.000 2.255 521 E HA 0.471 4.822 4.350 0.000 0.000 0.256 521 E C -2.759 173.808 176.600 -0.055 0.000 0.887 521 E CA -2.238 54.123 56.400 -0.064 0.000 0.782 521 E CB 1.242 30.920 29.700 -0.036 0.000 1.214 521 E HN 0.292 nan 8.360 nan 0.000 0.417 522 P HA 0.011 nan 4.420 nan 0.000 0.264 522 P C -0.975 176.297 177.300 -0.048 0.000 1.183 522 P CA 0.378 63.443 63.100 -0.058 0.000 0.763 522 P CB 0.449 32.123 31.700 -0.043 0.000 0.807 523 L N 2.845 124.025 121.223 -0.072 0.000 2.346 523 L HA 0.329 4.669 4.340 0.000 0.000 0.276 523 L C 1.315 178.111 176.870 -0.124 0.000 1.006 523 L CA -0.830 53.950 54.840 -0.100 0.000 0.817 523 L CB 1.309 43.266 42.059 -0.170 0.000 1.272 523 L HN 0.384 nan 8.230 nan 0.000 0.421 524 Y N 2.028 122.189 120.300 -0.232 0.000 2.114 524 Y HA -0.299 4.251 4.550 0.000 0.000 0.282 524 Y C 2.306 177.896 175.900 -0.516 0.000 1.165 524 Y CA 2.259 60.199 58.100 -0.267 0.000 1.148 524 Y CB 0.151 38.468 38.460 -0.238 0.000 0.972 524 Y HN 0.661 nan 8.280 nan 0.000 0.504 525 S N 0.171 115.420 115.700 -0.752 0.000 2.474 525 S HA -0.069 4.401 4.470 0.000 0.000 0.235 525 S C 1.607 175.553 174.600 -1.090 0.000 0.997 525 S CA 1.256 58.554 58.200 -1.504 0.000 0.949 525 S CB -0.303 61.764 63.200 -1.889 0.000 0.766 525 S HN 0.470 nan 8.310 nan 0.000 0.517 526 L N 0.483 121.347 121.223 -0.599 0.000 2.640 526 L HA 0.226 4.566 4.340 0.000 0.000 0.230 526 L C 0.625 177.388 176.870 -0.180 0.000 1.123 526 L CA -0.097 54.557 54.840 -0.309 0.000 0.900 526 L CB -0.085 41.854 42.059 -0.200 0.000 1.146 526 L HN 0.069 nan 8.230 nan 0.000 0.484 527 R N 1.616 121.986 120.500 -0.218 0.000 2.694 527 R HA 0.042 4.382 4.340 0.000 0.000 0.268 527 R C -1.132 175.142 176.300 -0.043 0.000 1.061 527 R CA -1.113 54.920 56.100 -0.111 0.000 1.133 527 R CB 0.276 30.492 30.300 -0.140 0.000 1.020 527 R HN -0.115 nan 8.270 nan 0.000 0.475 528 P HA -0.143 nan 4.420 nan 0.000 0.218 528 P C -0.023 177.289 177.300 0.020 0.000 1.149 528 P CA 1.358 64.467 63.100 0.015 0.000 0.817 528 P CB 0.294 32.002 31.700 0.014 0.000 0.785 529 E N -1.214 118.985 120.200 -0.001 0.000 2.338 529 E HA -0.169 4.181 4.350 0.000 0.000 0.197 529 E C 2.143 178.735 176.600 -0.014 0.000 1.007 529 E CA 0.531 56.926 56.400 -0.009 0.000 0.849 529 E CB -1.267 28.421 29.700 -0.020 0.000 0.774 529 E HN 0.473 nan 8.360 nan 0.000 0.506 530 H N 0.484 119.480 119.070 -0.124 0.000 2.456 530 H HA 0.004 4.560 4.556 0.000 0.000 0.296 530 H C 1.807 177.177 175.328 0.070 0.000 1.079 530 H CA 1.272 57.238 56.048 -0.137 0.000 1.322 530 H CB 0.193 29.784 29.762 -0.286 0.000 1.388 530 H HN 0.271 nan 8.280 nan 0.000 0.538 531 A N 0.860 123.747 122.820 0.111 0.000 2.076 531 A HA -0.174 4.146 4.320 0.000 0.000 0.220 531 A C 2.430 180.023 177.584 0.015 0.000 1.160 531 A CA 1.249 53.358 52.037 0.120 0.000 0.653 531 A CB -0.417 18.636 19.000 0.088 0.000 0.801 531 A HN 0.302 nan 8.150 nan 0.000 0.455 532 R N -0.102 120.384 120.500 -0.022 0.000 2.235 532 R HA -0.008 4.332 4.340 0.000 0.000 0.213 532 R C 1.127 177.390 176.300 -0.062 0.000 1.059 532 R CA 0.883 56.959 56.100 -0.041 0.000 0.997 532 R CB -0.001 30.278 30.300 -0.034 0.000 0.884 532 R HN 0.430 nan 8.270 nan 0.000 0.462 533 E N 0.391 120.535 120.200 -0.092 0.000 2.502 533 E HA -0.006 4.344 4.350 0.000 0.000 0.194 533 E C 0.029 176.611 176.600 -0.031 0.000 1.062 533 E CA 0.235 56.589 56.400 -0.076 0.000 0.867 533 E CB 0.090 29.663 29.700 -0.212 0.000 0.888 533 E HN 0.078 nan 8.360 nan 0.000 0.510 534 R N 1.011 121.436 120.500 -0.124 0.000 2.643 534 R HA 0.054 4.394 4.340 0.000 0.000 0.270 534 R C 0.553 176.745 176.300 -0.179 0.000 1.061 534 R CA -0.606 55.308 56.100 -0.310 0.000 1.107 534 R CB 0.090 30.186 30.300 -0.339 0.000 0.999 534 R HN 0.070 nan 8.270 nan 0.000 0.460 535 L N 2.111 123.222 121.223 -0.187 0.000 2.559 535 L HA -0.104 4.236 4.340 0.000 0.000 0.282 535 L C -0.073 176.744 176.870 -0.088 0.000 1.232 535 L CA 1.219 55.993 54.840 -0.111 0.000 0.885 535 L CB 0.218 42.215 42.059 -0.104 0.000 1.131 535 L HN 0.446 nan 8.230 nan 0.000 0.498 536 Q N 2.967 122.732 119.800 -0.059 0.000 2.413 536 Q HA 0.175 4.516 4.340 0.000 0.000 0.258 536 Q C -0.225 175.754 176.000 -0.035 0.000 1.037 536 Q CA -0.356 55.419 55.803 -0.046 0.000 0.764 536 Q CB 0.884 29.601 28.738 -0.036 0.000 1.217 536 Q HN 0.756 nan 8.270 nan 0.000 0.490 537 D N 1.550 121.928 120.400 -0.036 0.000 2.328 537 D HA -0.096 4.544 4.640 0.000 0.000 0.226 537 D C -0.351 175.937 176.300 -0.019 0.000 1.066 537 D CA 0.016 54.000 54.000 -0.026 0.000 0.861 537 D CB 0.239 41.022 40.800 -0.028 0.000 0.912 537 D HN 0.429 nan 8.370 nan 0.000 0.521 538 D N -0.166 120.223 120.400 -0.019 0.000 2.955 538 D HA -0.242 4.398 4.640 0.000 0.000 0.226 538 D C -0.173 176.119 176.300 -0.013 0.000 1.178 538 D CA 1.154 55.146 54.000 -0.014 0.000 0.808 538 D CB -1.757 39.038 40.800 -0.009 0.000 1.099 538 D HN 0.285 nan 8.370 nan 0.000 0.421 539 S N -2.653 113.038 115.700 -0.015 0.000 3.476 539 S HA -0.218 4.252 4.470 0.000 0.000 0.309 539 S C 0.156 174.750 174.600 -0.011 0.000 1.222 539 S CA 0.890 59.082 58.200 -0.014 0.000 0.922 539 S CB -0.805 62.388 63.200 -0.012 0.000 1.023 539 S HN 0.374 nan 8.310 nan 0.000 0.591 540 V N 1.869 121.776 119.914 -0.010 0.000 2.357 540 V HA 0.288 4.408 4.120 0.000 0.000 0.281 540 V C 0.204 176.294 176.094 -0.007 0.000 1.015 540 V CA -0.588 61.707 62.300 -0.007 0.000 0.827 540 V CB 1.501 33.321 31.823 -0.005 0.000 1.018 540 V HN 0.341 nan 8.190 nan 0.000 0.432 541 E N 3.079 123.275 120.200 -0.007 0.000 2.283 541 E HA 0.638 4.988 4.350 0.000 0.000 0.278 541 E C 0.014 176.613 176.600 -0.003 0.000 1.027 541 E CA -0.325 56.071 56.400 -0.007 0.000 0.843 541 E CB 1.906 31.601 29.700 -0.009 0.000 1.062 541 E HN 0.773 nan 8.360 nan 0.000 0.401 542 T N -2.253 112.301 114.554 -0.001 0.000 2.841 542 T HA 0.183 4.533 4.350 0.000 0.000 0.296 542 T C 0.960 175.662 174.700 0.005 0.000 1.166 542 T CA -0.830 61.272 62.100 0.004 0.000 1.007 542 T CB 1.002 69.875 68.868 0.008 0.000 1.253 542 T HN 0.105 nan 8.240 nan 0.000 0.511 543 V N 1.210 121.129 119.914 0.009 0.000 2.370 543 V HA -0.222 3.898 4.120 0.000 0.000 0.252 543 V C 2.876 178.976 176.094 0.011 0.000 1.068 543 V CA 2.811 65.117 62.300 0.010 0.000 1.061 543 V CB -1.431 30.401 31.823 0.015 0.000 0.656 543 V HN 1.109 nan 8.190 nan 0.000 0.455 544 T N 0.420 114.982 114.554 0.014 0.000 2.674 544 T HA -0.199 4.151 4.350 0.000 0.000 0.265 544 T C 2.116 176.819 174.700 0.004 0.000 1.039 544 T CA 2.100 64.209 62.100 0.014 0.000 1.150 544 T CB -0.411 68.469 68.868 0.019 0.000 0.864 544 T HN 0.766 nan 8.240 nan 0.000 0.427 545 S N 1.449 117.148 115.700 -0.001 0.000 2.383 545 S HA -0.021 4.449 4.470 0.000 0.000 0.227 545 S C 2.119 176.709 174.600 -0.017 0.000 1.026 545 S CA 0.796 58.989 58.200 -0.012 0.000 0.981 545 S CB -0.826 62.365 63.200 -0.015 0.000 0.818 545 S HN 0.488 nan 8.310 nan 0.000 0.472 546 I N 1.823 122.386 120.570 -0.011 0.000 2.179 546 I HA -0.142 4.028 4.170 0.000 0.000 0.242 546 I C 2.866 178.976 176.117 -0.012 0.000 1.088 546 I CA 1.464 62.756 61.300 -0.013 0.000 1.357 546 I CB -0.382 37.614 38.000 -0.007 0.000 1.051 546 I HN 0.264 nan 8.210 nan 0.000 0.409 547 E N 0.339 120.537 120.200 -0.003 0.000 2.106 547 E HA -0.259 4.091 4.350 0.000 0.000 0.192 547 E C 2.026 178.624 176.600 -0.003 0.000 0.984 547 E CA 1.109 57.510 56.400 0.002 0.000 0.806 547 E CB -0.316 29.392 29.700 0.013 0.000 0.750 547 E HN 0.413 nan 8.360 nan 0.000 0.458 548 Q N 0.975 120.771 119.800 -0.008 0.000 2.084 548 Q HA -0.044 4.296 4.340 0.000 0.000 0.202 548 Q C 1.967 177.945 176.000 -0.036 0.000 0.978 548 Q CA 1.984 57.778 55.803 -0.015 0.000 0.844 548 Q CB -0.478 28.248 28.738 -0.020 0.000 0.898 548 Q HN 0.195 nan 8.270 nan 0.000 0.426 549 A N 0.466 123.258 122.820 -0.048 0.000 1.933 549 A HA -0.206 4.114 4.320 0.000 0.000 0.218 549 A C 1.998 179.545 177.584 -0.062 0.000 1.175 549 A CA 1.712 53.705 52.037 -0.073 0.000 0.628 549 A CB -0.452 18.509 19.000 -0.064 0.000 0.814 549 A HN 0.412 nan 8.150 nan 0.000 0.444 550 K N -0.498 119.881 120.400 -0.036 0.000 2.026 550 K HA -0.076 4.244 4.320 0.000 0.000 0.208 550 K C 1.891 178.481 176.600 -0.018 0.000 1.048 550 K CA 1.443 57.715 56.287 -0.025 0.000 0.929 550 K CB -0.391 32.102 32.500 -0.012 0.000 0.713 550 K HN 0.302 nan 8.250 nan 0.000 0.439 551 V N 1.930 121.840 119.914 -0.007 0.000 2.295 551 V HA -0.246 3.874 4.120 0.000 0.000 0.246 551 V C 2.022 178.128 176.094 0.019 0.000 1.049 551 V CA 1.790 64.099 62.300 0.014 0.000 1.024 551 V CB -0.429 31.412 31.823 0.031 0.000 0.648 551 V HN 0.341 nan 8.190 nan 0.000 0.447 552 E N -0.258 119.933 120.200 -0.015 0.000 2.118 552 E HA -0.289 4.061 4.350 0.000 0.000 0.195 552 E C 2.229 178.786 176.600 -0.072 0.000 0.992 552 E CA 1.432 57.794 56.400 -0.062 0.000 0.804 552 E CB -0.113 29.404 29.700 -0.304 0.000 0.741 552 E HN 0.588 nan 8.360 nan 0.000 0.458 553 E N 1.624 121.777 120.200 -0.078 0.000 2.051 553 E HA -0.230 4.120 4.350 0.000 0.000 0.192 553 E C 1.876 178.472 176.600 -0.007 0.000 0.991 553 E CA 1.550 57.920 56.400 -0.050 0.000 0.799 553 E CB -0.054 29.618 29.700 -0.046 0.000 0.748 553 E HN -0.060 nan 8.360 nan 0.000 0.449 554 K N 0.277 120.673 120.400 -0.006 0.000 2.057 554 K HA -0.046 4.274 4.320 0.000 0.000 0.207 554 K C 1.938 178.524 176.600 -0.023 0.000 1.049 554 K CA 1.407 57.691 56.287 -0.007 0.000 0.931 554 K CB -0.488 32.008 32.500 -0.006 0.000 0.714 554 K HN 0.192 nan 8.250 nan 0.000 0.440 555 I N 1.142 121.695 120.570 -0.029 0.000 2.286 555 I HA -0.193 3.977 4.170 0.000 0.000 0.248 555 I C 2.266 178.219 176.117 -0.273 0.000 1.115 555 I CA 1.284 62.464 61.300 -0.199 0.000 1.392 555 I CB -1.249 36.653 38.000 -0.164 0.000 1.065 555 I HN 0.364 nan 8.210 nan 0.000 0.418 556 Q N 1.501 121.358 119.800 0.096 0.000 2.084 556 Q HA -0.203 4.137 4.340 0.000 0.000 0.202 556 Q C 2.041 178.130 176.000 0.149 0.000 0.978 556 Q CA 1.735 57.698 55.803 0.268 0.000 0.844 556 Q CB -0.155 28.768 28.738 0.307 0.000 0.898 556 Q HN 0.503 nan 8.270 nan 0.000 0.426 557 E N -1.025 119.215 120.200 0.067 0.000 2.077 557 E HA -0.152 4.198 4.350 0.000 0.000 0.193 557 E C 1.953 178.588 176.600 0.058 0.000 0.989 557 E CA 1.445 57.874 56.400 0.049 0.000 0.800 557 E CB 0.010 29.721 29.700 0.019 0.000 0.746 557 E HN 0.212 nan 8.360 nan 0.000 0.452 558 V N 0.912 120.846 119.914 0.034 0.000 2.261 558 V HA -0.254 3.866 4.120 0.000 0.000 0.246 558 V C 2.016 178.295 176.094 0.308 0.000 1.047 558 V CA 1.723 64.088 62.300 0.108 0.000 1.015 558 V CB -0.652 31.186 31.823 0.024 0.000 0.642 558 V HN 0.296 nan 8.190 nan 0.000 0.446 559 F N 0.570 120.602 119.950 0.137 0.000 2.091 559 F HA -0.252 4.275 4.527 0.000 0.000 0.299 559 F C 2.752 178.605 175.800 0.088 0.000 1.103 559 F CA 1.428 59.482 58.000 0.091 0.000 1.228 559 F CB -0.350 38.647 39.000 -0.005 0.000 0.984 559 F HN 0.136 nan 8.300 nan 0.000 0.477 560 S N -0.206 115.640 115.700 0.243 0.000 2.419 560 S HA -0.184 4.286 4.470 0.000 0.000 0.233 560 S C 1.994 176.547 174.600 -0.077 0.000 1.016 560 S CA 1.340 59.580 58.200 0.067 0.000 0.974 560 S CB -0.465 62.766 63.200 0.052 0.000 0.786 560 S HN 0.469 nan 8.310 nan 0.000 0.492 561 S N 0.027 115.693 115.700 -0.057 0.000 2.515 561 S HA -0.006 4.464 4.470 0.000 0.000 0.231 561 S C 1.097 175.397 174.600 -0.500 0.000 0.987 561 S CA 0.462 58.503 58.200 -0.264 0.000 0.936 561 S CB -0.514 62.548 63.200 -0.230 0.000 0.766 561 S HN 0.586 nan 8.310 nan 0.000 0.528 562 Y N 1.318 121.500 120.300 -0.198 0.000 2.458 562 Y HA 0.465 5.015 4.550 0.000 0.000 0.256 562 Y C 0.757 176.487 175.900 -0.283 0.000 1.159 562 Y CA -0.398 57.612 58.100 -0.150 0.000 1.261 562 Y CB 0.336 38.790 38.460 -0.010 0.000 1.119 562 Y HN 0.200 nan 8.280 nan 0.000 0.524 563 K N 0.362 120.519 120.400 -0.405 0.000 2.292 563 K HA 0.433 4.753 4.320 0.000 0.000 0.257 563 K C -1.716 174.502 176.600 -0.637 0.000 0.940 563 K CA -0.549 55.545 56.287 -0.322 0.000 0.811 563 K CB 0.663 33.088 32.500 -0.125 0.000 1.120 563 K HN -0.049 nan 8.250 nan 0.000 0.428 564 F N 5.043 125.026 119.950 0.055 0.000 2.531 564 F HA 0.304 4.831 4.527 0.000 0.000 0.333 564 F C 0.452 176.292 175.800 0.067 0.000 1.292 564 F CA -0.772 57.258 58.000 0.049 0.000 1.184 564 F CB 0.194 39.217 39.000 0.038 0.000 1.426 564 F HN 0.728 nan 8.300 nan 0.000 0.559 565 N N 0.271 119.057 118.700 0.144 0.000 1.293 565 N HA -0.382 4.358 4.740 0.000 0.000 0.140 565 N C 1.153 176.778 175.510 0.191 0.000 0.753 565 N CA 1.886 55.025 53.050 0.148 0.000 0.979 565 N CB -0.843 37.739 38.487 0.158 0.000 1.228 565 N HN 0.606 nan 8.380 nan 0.000 0.509 566 H N 1.041 120.176 119.070 0.109 0.000 2.551 566 H HA 0.315 4.871 4.556 0.000 0.000 0.266 566 H C 0.220 175.640 175.328 0.153 0.000 0.977 566 H CA 0.319 56.429 56.048 0.104 0.000 1.163 566 H CB -0.084 29.731 29.762 0.088 0.000 1.381 566 H HN 0.295 nan 8.280 nan 0.000 0.581 567 L N 1.484 122.813 121.223 0.176 0.000 2.260 567 L HA 0.337 4.677 4.340 0.000 0.000 0.289 567 L C -1.006 176.011 176.870 0.244 0.000 1.057 567 L CA -0.375 54.591 54.840 0.211 0.000 0.811 567 L CB 0.921 43.128 42.059 0.248 0.000 1.184 567 L HN -0.081 nan 8.230 nan 0.000 0.429 568 V N 7.166 127.179 119.914 0.165 0.000 2.380 568 V HA 0.360 4.480 4.120 0.000 0.000 0.268 568 V C -2.190 174.014 176.094 0.184 0.000 1.008 568 V CA -1.398 61.003 62.300 0.168 0.000 0.823 568 V CB 0.881 32.729 31.823 0.043 0.000 1.053 568 V HN 0.695 nan 8.190 nan 0.000 0.446 569 P HA 0.120 nan 4.420 nan 0.000 0.265 569 P C 0.221 177.624 177.300 0.172 0.000 1.187 569 P CA 0.035 63.266 63.100 0.217 0.000 0.766 569 P CB 0.522 32.352 31.700 0.216 0.000 0.820 570 R N 2.038 122.617 120.500 0.132 0.000 2.585 570 R HA 0.111 4.451 4.340 0.000 0.000 0.275 570 R C 0.239 176.598 176.300 0.098 0.000 1.018 570 R CA -0.250 55.903 56.100 0.088 0.000 1.072 570 R CB -0.159 30.182 30.300 0.068 0.000 0.953 570 R HN 0.475 nan 8.270 nan 0.000 0.419 571 L N 2.713 123.973 121.223 0.062 0.000 2.439 571 L HA 0.199 4.539 4.340 0.000 0.000 0.269 571 L C -0.123 176.780 176.870 0.055 0.000 1.179 571 L CA -0.237 54.634 54.840 0.052 0.000 0.828 571 L CB 0.813 42.854 42.059 -0.030 0.000 1.106 571 L HN 0.298 nan 8.230 nan 0.000 0.467 572 V N 3.630 123.588 119.914 0.073 0.000 2.531 572 V HA 0.260 4.380 4.120 0.000 0.000 0.301 572 V C -0.295 175.836 176.094 0.062 0.000 1.034 572 V CA -0.632 61.705 62.300 0.062 0.000 0.865 572 V CB 1.982 33.844 31.823 0.065 0.000 0.995 572 V HN 0.441 nan 8.190 nan 0.000 0.424 573 L N 5.145 126.404 121.223 0.059 0.000 2.315 573 L HA 0.404 4.744 4.340 0.000 0.000 0.283 573 L C 0.686 177.595 176.870 0.064 0.000 1.089 573 L CA 0.384 55.281 54.840 0.096 0.000 0.833 573 L CB 0.999 43.117 42.059 0.098 0.000 1.170 573 L HN 0.610 nan 8.230 nan 0.000 0.442 574 Q N 5.395 125.194 119.800 -0.001 0.000 3.107 574 Q HA 0.053 4.393 4.340 0.000 0.000 0.268 574 Q C 1.068 176.885 176.000 -0.305 0.000 1.382 574 Q CA 0.202 55.882 55.803 -0.206 0.000 0.927 574 Q CB -0.262 28.274 28.738 -0.338 0.000 1.755 574 Q HN 0.733 nan 8.270 nan 0.000 0.545 575 R N 0.622 121.102 120.500 -0.032 0.000 2.143 575 R HA -0.212 4.128 4.340 0.000 0.000 0.239 575 R C 1.619 177.941 176.300 0.036 0.000 1.126 575 R CA 1.427 57.557 56.100 0.049 0.000 0.927 575 R CB 0.073 30.386 30.300 0.021 0.000 0.860 575 R HN 0.345 nan 8.270 nan 0.000 0.433 576 E N 0.857 121.061 120.200 0.006 0.000 2.085 576 E HA -0.181 4.169 4.350 0.000 0.000 0.194 576 E C 1.878 178.541 176.600 0.105 0.000 0.994 576 E CA 1.367 57.799 56.400 0.053 0.000 0.801 576 E CB -0.084 29.675 29.700 0.099 0.000 0.743 576 E HN 0.383 nan 8.360 nan 0.000 0.453 577 K N -0.160 120.256 120.400 0.027 0.000 2.057 577 K HA -0.122 4.198 4.320 0.000 0.000 0.207 577 K C 2.132 178.791 176.600 0.098 0.000 1.049 577 K CA 1.120 57.433 56.287 0.043 0.000 0.931 577 K CB -0.242 32.182 32.500 -0.126 0.000 0.714 577 K HN 0.222 nan 8.250 nan 0.000 0.440 578 H N -0.108 119.046 119.070 0.140 0.000 2.353 578 H HA -0.128 4.428 4.556 0.000 0.000 0.300 578 H C 1.992 177.446 175.328 0.211 0.000 1.090 578 H CA 1.155 57.308 56.048 0.175 0.000 1.327 578 H CB -0.556 29.280 29.762 0.123 0.000 1.383 578 H HN 0.163 nan 8.280 nan 0.000 0.508 579 F N 2.044 122.048 119.950 0.089 0.000 2.095 579 F HA -0.235 4.292 4.527 0.000 0.000 0.298 579 F C 2.470 178.234 175.800 -0.061 0.000 1.104 579 F CA 1.554 59.521 58.000 -0.055 0.000 1.232 579 F CB -0.408 38.456 39.000 -0.227 0.000 0.987 579 F HN 0.153 nan 8.300 nan 0.000 0.475 580 H N -1.687 117.322 119.070 -0.101 0.000 2.423 580 H HA -0.167 4.389 4.556 0.000 0.000 0.297 580 H C 2.063 177.358 175.328 -0.054 0.000 1.075 580 H CA 1.788 57.710 56.048 -0.209 0.000 1.342 580 H CB -1.089 28.656 29.762 -0.028 0.000 1.395 580 H HN 0.459 nan 8.280 nan 0.000 0.530 581 Y N 1.615 121.959 120.300 0.074 0.000 2.200 581 Y HA -0.149 4.402 4.550 0.000 0.000 0.290 581 Y C 2.357 178.367 175.900 0.184 0.000 1.137 581 Y CA 1.002 59.172 58.100 0.117 0.000 1.163 581 Y CB -0.641 37.891 38.460 0.119 0.000 0.988 581 Y HN -0.002 nan 8.280 nan 0.000 0.518 582 L N 0.375 121.617 121.223 0.032 0.000 2.027 582 L HA -0.198 4.142 4.340 0.000 0.000 0.206 582 L C 2.668 179.412 176.870 -0.211 0.000 1.074 582 L CA 1.892 56.691 54.840 -0.069 0.000 0.745 582 L CB -0.650 41.425 42.059 0.026 0.000 0.898 582 L HN 0.116 nan 8.230 nan 0.000 0.433 583 K N 0.330 120.546 120.400 -0.307 0.000 2.063 583 K HA -0.273 4.047 4.320 0.000 0.000 0.208 583 K C 2.382 178.847 176.600 -0.225 0.000 1.048 583 K CA 1.615 57.699 56.287 -0.338 0.000 0.928 583 K CB 0.011 32.156 32.500 -0.591 0.000 0.713 583 K HN -0.017 nan 8.250 nan 0.000 0.442 584 R N 0.380 120.779 120.500 -0.168 0.000 2.073 584 R HA -0.055 4.285 4.340 0.000 0.000 0.234 584 R C 2.203 178.407 176.300 -0.160 0.000 1.134 584 R CA 2.132 58.167 56.100 -0.109 0.000 0.952 584 R CB -1.228 29.060 30.300 -0.020 0.000 0.850 584 R HN 0.352 nan 8.270 nan 0.000 0.433 585 G N 0.445 109.111 108.800 -0.223 0.000 2.448 585 G HA2 -0.217 3.743 3.960 0.000 0.000 0.219 585 G HA3 -0.217 3.743 3.960 0.000 0.000 0.219 585 G C 1.238 175.822 174.900 -0.527 0.000 1.127 585 G CA 0.737 45.576 45.100 -0.436 0.000 0.766 585 G HN 0.351 nan 8.290 nan 0.000 0.552 586 L N 0.016 120.991 121.223 -0.414 0.000 2.275 586 L HA 0.115 4.455 4.340 0.000 0.000 0.215 586 L C 2.539 179.243 176.870 -0.277 0.000 1.119 586 L CA 1.268 55.904 54.840 -0.340 0.000 0.790 586 L CB -0.106 41.804 42.059 -0.248 0.000 0.919 586 L HN 0.044 nan 8.230 nan 0.000 0.443 587 R N -1.194 119.166 120.500 -0.233 0.000 2.102 587 R HA 0.311 4.651 4.340 0.000 0.000 0.208 587 R C 0.370 176.555 176.300 -0.191 0.000 1.131 587 R CA 0.452 56.437 56.100 -0.191 0.000 1.054 587 R CB -0.125 30.095 30.300 -0.135 0.000 0.954 587 R HN 0.402 nan 8.270 nan 0.000 0.465 588 Q N 0.082 119.781 119.800 -0.169 0.000 2.495 588 Q HA 0.650 4.990 4.340 0.000 0.000 0.287 588 Q C -1.080 174.844 176.000 -0.126 0.000 1.078 588 Q CA -0.686 55.038 55.803 -0.131 0.000 0.793 588 Q CB 3.102 31.796 28.738 -0.074 0.000 1.459 588 Q HN -0.048 nan 8.270 nan 0.000 0.422 589 L N 0.147 121.325 121.223 -0.075 0.000 2.465 589 L HA 0.510 4.850 4.340 0.000 0.000 0.257 589 L C -0.014 176.911 176.870 0.092 0.000 0.988 589 L CA -0.988 53.839 54.840 -0.020 0.000 0.827 589 L CB 2.343 44.325 42.059 -0.128 0.000 1.397 589 L HN 0.768 nan 8.230 nan 0.000 0.410 590 T N -3.816 110.852 114.554 0.190 0.000 2.788 590 T HA 0.107 4.458 4.350 0.000 0.000 0.287 590 T C 0.689 175.508 174.700 0.199 0.000 1.007 590 T CA -0.188 62.016 62.100 0.173 0.000 1.005 590 T CB 0.784 69.758 68.868 0.177 0.000 1.012 590 T HN 0.745 nan 8.240 nan 0.000 0.530 591 D N 0.047 120.526 120.400 0.132 0.000 2.384 591 D HA -0.008 4.632 4.640 0.000 0.000 0.222 591 D C 1.863 178.232 176.300 0.115 0.000 0.976 591 D CA 0.841 54.910 54.000 0.115 0.000 0.915 591 D CB -0.602 40.242 40.800 0.074 0.000 0.896 591 D HN 0.669 nan 8.370 nan 0.000 0.523 592 A N -0.448 122.451 122.820 0.131 0.000 2.125 592 A HA -0.115 4.206 4.320 0.000 0.000 0.219 592 A C 1.076 178.627 177.584 -0.054 0.000 1.156 592 A CA 0.593 52.654 52.037 0.040 0.000 0.671 592 A CB -0.831 18.194 19.000 0.042 0.000 0.794 592 A HN 0.377 nan 8.150 nan 0.000 0.459 593 Y N -0.090 120.274 120.300 0.107 0.000 2.532 593 Y HA 0.168 4.718 4.550 0.000 0.000 0.283 593 Y C 1.747 177.709 175.900 0.103 0.000 1.181 593 Y CA -0.074 58.104 58.100 0.129 0.000 1.256 593 Y CB 0.058 38.615 38.460 0.161 0.000 1.112 593 Y HN 0.439 nan 8.280 nan 0.000 0.521 594 E N -0.524 119.765 120.200 0.149 0.000 2.204 594 E HA -0.197 4.153 4.350 0.000 0.000 0.194 594 E C 2.004 178.661 176.600 0.094 0.000 0.989 594 E CA 1.331 57.799 56.400 0.113 0.000 0.824 594 E CB -0.150 29.596 29.700 0.077 0.000 0.756 594 E HN 0.641 nan 8.360 nan 0.000 0.477 595 C N -0.512 118.827 119.300 0.066 0.000 2.449 595 C HA 0.086 4.546 4.460 0.000 0.000 0.283 595 C C 1.696 176.740 174.990 0.090 0.000 1.453 595 C CA -0.127 58.921 59.018 0.051 0.000 1.779 595 C CB -0.975 26.768 27.740 0.006 0.000 1.779 595 C HN 0.213 nan 8.230 nan 0.000 0.546 596 L N 0.770 122.087 121.223 0.156 0.000 3.066 596 L HA 0.236 4.576 4.340 0.000 0.000 0.265 596 L C 1.466 178.458 176.870 0.202 0.000 1.232 596 L CA 0.147 55.118 54.840 0.218 0.000 1.031 596 L CB -0.236 42.051 42.059 0.380 0.000 1.379 596 L HN 0.152 nan 8.230 nan 0.000 0.563 597 D N 1.234 121.724 120.400 0.151 0.000 2.310 597 D HA -0.104 4.536 4.640 0.000 0.000 0.212 597 D C 1.651 178.020 176.300 0.114 0.000 0.965 597 D CA 0.963 55.041 54.000 0.129 0.000 0.879 597 D CB 0.505 41.364 40.800 0.097 0.000 0.921 597 D HN 0.289 nan 8.370 nan 0.000 0.510 598 A N -0.917 121.964 122.820 0.102 0.000 2.545 598 A HA 0.408 4.729 4.320 0.000 0.000 0.277 598 A C 0.820 178.468 177.584 0.106 0.000 1.301 598 A CA -0.281 51.801 52.037 0.076 0.000 0.935 598 A CB 0.429 19.450 19.000 0.034 0.000 1.093 598 A HN 0.039 nan 8.150 nan 0.000 0.519 599 S N -0.839 114.962 115.700 0.169 0.000 3.025 599 S HA 0.163 4.633 4.470 0.000 0.000 0.251 599 S C 1.129 175.872 174.600 0.239 0.000 0.954 599 S CA -0.479 57.881 58.200 0.267 0.000 1.092 599 S CB 0.048 63.405 63.200 0.261 0.000 1.079 599 S HN 0.598 nan 8.310 nan 0.000 0.543 600 R N 1.795 122.416 120.500 0.201 0.000 2.120 600 R HA -0.039 4.301 4.340 0.000 0.000 0.234 600 R C -1.173 175.230 176.300 0.171 0.000 1.123 600 R CA 1.255 57.480 56.100 0.210 0.000 0.975 600 R CB -1.142 29.357 30.300 0.331 0.000 0.866 600 R HN 0.297 nan 8.270 nan 0.000 0.446 601 P HA -0.134 nan 4.420 nan 0.000 0.221 601 P C 0.336 177.513 177.300 -0.204 0.000 1.150 601 P CA 0.951 64.002 63.100 -0.082 0.000 0.800 601 P CB -0.029 31.529 31.700 -0.236 0.000 0.787 602 W N -0.585 120.548 121.300 -0.279 0.000 2.381 602 W HA -0.067 4.593 4.660 0.000 0.000 0.301 602 W C 2.095 178.139 176.519 -0.791 0.000 1.205 602 W CA 0.541 57.472 57.345 -0.690 0.000 1.285 602 W CB -0.914 27.952 29.460 -0.990 0.000 1.133 602 W HN -0.143 nan 8.180 nan 0.000 0.521 603 L N -1.009 120.135 121.223 -0.132 0.000 2.042 603 L HA -0.289 4.051 4.340 0.000 0.000 0.210 603 L C 2.386 179.214 176.870 -0.071 0.000 1.076 603 L CA 1.115 55.973 54.840 0.031 0.000 0.749 603 L CB -1.048 41.005 42.059 -0.011 0.000 0.893 603 L HN 0.080 nan 8.230 nan 0.000 0.432 604 C N -1.254 117.997 119.300 -0.082 0.000 2.432 604 C HA -0.236 4.224 4.460 0.000 0.000 0.277 604 C C 2.764 177.719 174.990 -0.058 0.000 1.249 604 C CA 0.789 59.757 59.018 -0.082 0.000 1.725 604 C CB -0.795 26.928 27.740 -0.028 0.000 2.028 604 C HN 0.574 nan 8.230 nan 0.000 0.477 605 Y N 0.542 120.733 120.300 -0.182 0.000 2.114 605 Y HA -0.179 4.371 4.550 0.000 0.000 0.284 605 Y C 2.314 178.245 175.900 0.051 0.000 1.143 605 Y CA 1.458 59.464 58.100 -0.157 0.000 1.135 605 Y CB -0.753 37.513 38.460 -0.323 0.000 0.980 605 Y HN 0.378 nan 8.280 nan 0.000 0.499 606 W N 0.707 121.859 121.300 -0.247 0.000 2.338 606 W HA -0.237 4.423 4.660 0.000 0.000 0.304 606 W C 2.485 178.845 176.519 -0.266 0.000 1.212 606 W CA 1.537 58.687 57.345 -0.326 0.000 1.264 606 W CB -1.242 28.250 29.460 0.054 0.000 1.142 606 W HN 0.210 nan 8.180 nan 0.000 0.512 607 I N -0.394 120.192 120.570 0.027 0.000 2.233 607 I HA -0.290 3.880 4.170 0.000 0.000 0.243 607 I C 2.415 178.480 176.117 -0.088 0.000 1.093 607 I CA 1.056 62.308 61.300 -0.080 0.000 1.380 607 I CB -0.791 37.053 38.000 -0.260 0.000 1.067 607 I HN -0.162 nan 8.210 nan 0.000 0.413 608 L N -0.119 121.048 121.223 -0.094 0.000 2.046 608 L HA -0.249 4.091 4.340 0.000 0.000 0.208 608 L C 2.734 179.580 176.870 -0.040 0.000 1.077 608 L CA 1.379 56.182 54.840 -0.060 0.000 0.747 608 L CB -0.837 41.197 42.059 -0.043 0.000 0.896 608 L HN 0.328 nan 8.230 nan 0.000 0.432 609 H N -0.378 118.548 119.070 -0.240 0.000 2.423 609 H HA -0.077 4.479 4.556 0.000 0.000 0.297 609 H C 2.343 177.559 175.328 -0.188 0.000 1.075 609 H CA 1.405 57.304 56.048 -0.249 0.000 1.342 609 H CB 0.163 29.622 29.762 -0.505 0.000 1.395 609 H HN 0.114 nan 8.280 nan 0.000 0.530 610 S N -0.216 115.344 115.700 -0.234 0.000 2.355 610 S HA -0.068 4.402 4.470 0.000 0.000 0.222 610 S C 2.296 176.823 174.600 -0.123 0.000 1.031 610 S CA 1.107 59.176 58.200 -0.218 0.000 0.993 610 S CB -0.209 62.935 63.200 -0.092 0.000 0.859 610 S HN 0.356 nan 8.310 nan 0.000 0.453 611 L N 1.401 122.593 121.223 -0.050 0.000 2.046 611 L HA -0.135 4.205 4.340 0.000 0.000 0.208 611 L C 2.732 179.585 176.870 -0.028 0.000 1.077 611 L CA 1.479 56.328 54.840 0.016 0.000 0.747 611 L CB -0.551 41.538 42.059 0.050 0.000 0.896 611 L HN 0.417 nan 8.230 nan 0.000 0.432 612 E N 0.865 121.032 120.200 -0.055 0.000 2.058 612 E HA -0.246 4.104 4.350 0.000 0.000 0.194 612 E C 2.332 178.884 176.600 -0.080 0.000 0.997 612 E CA 1.327 57.702 56.400 -0.043 0.000 0.801 612 E CB -0.116 29.594 29.700 0.017 0.000 0.746 612 E HN 0.470 nan 8.360 nan 0.000 0.450 613 L N 0.524 121.637 121.223 -0.183 0.000 2.083 613 L HA -0.160 4.180 4.340 0.000 0.000 0.209 613 L C 2.432 179.256 176.870 -0.077 0.000 1.083 613 L CA 0.766 55.506 54.840 -0.167 0.000 0.752 613 L CB -0.208 41.674 42.059 -0.294 0.000 0.899 613 L HN 0.251 nan 8.230 nan 0.000 0.433 614 L N -0.682 120.502 121.223 -0.065 0.000 2.599 614 L HA -0.038 4.302 4.340 0.000 0.000 0.230 614 L C 0.416 177.258 176.870 -0.048 0.000 1.141 614 L CA 0.041 54.863 54.840 -0.029 0.000 0.877 614 L CB -0.406 41.659 42.059 0.011 0.000 1.009 614 L HN 0.257 nan 8.230 nan 0.000 0.447 615 D N 1.018 121.388 120.400 -0.049 0.000 2.723 615 D HA -0.181 4.459 4.640 0.000 0.000 0.236 615 D C -0.079 176.168 176.300 -0.090 0.000 1.138 615 D CA 0.582 54.549 54.000 -0.056 0.000 0.676 615 D CB -0.333 40.438 40.800 -0.048 0.000 1.069 615 D HN 0.237 nan 8.370 nan 0.000 0.430 616 E N 1.118 121.266 120.200 -0.087 0.000 2.109 616 E HA 0.299 4.649 4.350 0.000 0.000 0.278 616 E C -1.870 174.699 176.600 -0.052 0.000 0.954 616 E CA -1.598 54.719 56.400 -0.139 0.000 0.779 616 E CB 1.017 30.652 29.700 -0.108 0.000 1.093 616 E HN 0.324 nan 8.360 nan 0.000 0.401 617 P HA 0.088 nan 4.420 nan 0.000 0.267 617 P C -0.117 177.191 177.300 0.013 0.000 1.200 617 P CA 0.131 63.215 63.100 -0.027 0.000 0.772 617 P CB 0.882 32.559 31.700 -0.038 0.000 0.855 618 I N 3.821 124.392 120.570 0.001 0.000 2.330 618 I HA 0.223 4.393 4.170 0.000 0.000 0.289 618 I C -1.887 174.227 176.117 -0.006 0.000 1.001 618 I CA -2.384 58.919 61.300 0.004 0.000 1.193 618 I CB 0.949 38.939 38.000 -0.017 0.000 1.345 618 I HN 0.165 nan 8.210 nan 0.000 0.461 619 P HA -0.031 nan 4.420 nan 0.000 0.265 619 P C 0.538 177.826 177.300 -0.019 0.000 1.193 619 P CA -0.214 62.884 63.100 -0.003 0.000 0.765 619 P CB 0.607 32.310 31.700 0.006 0.000 0.823 620 Q N 2.492 122.278 119.800 -0.023 0.000 2.152 620 Q HA -0.156 4.184 4.340 0.000 0.000 0.206 620 Q C 1.627 177.608 176.000 -0.030 0.000 0.985 620 Q CA 1.743 57.526 55.803 -0.032 0.000 0.863 620 Q CB -0.250 28.470 28.738 -0.030 0.000 0.904 620 Q HN 0.428 nan 8.270 nan 0.000 0.422 621 I N -0.116 120.440 120.570 -0.023 0.000 2.226 621 I HA -0.219 3.952 4.170 0.000 0.000 0.245 621 I C 2.430 178.531 176.117 -0.027 0.000 1.100 621 I CA 0.743 62.030 61.300 -0.023 0.000 1.374 621 I CB -1.305 36.684 38.000 -0.018 0.000 1.057 621 I HN 0.002 nan 8.210 nan 0.000 0.413 622 V N 1.272 121.168 119.914 -0.030 0.000 2.358 622 V HA -0.223 3.897 4.120 0.000 0.000 0.246 622 V C 2.816 178.886 176.094 -0.041 0.000 1.047 622 V CA 1.655 63.932 62.300 -0.039 0.000 1.035 622 V CB -1.089 30.710 31.823 -0.039 0.000 0.658 622 V HN 0.437 nan 8.190 nan 0.000 0.452 623 A N 0.989 123.784 122.820 -0.041 0.000 1.883 623 A HA -0.256 4.064 4.320 0.000 0.000 0.217 623 A C 2.520 180.077 177.584 -0.044 0.000 1.186 623 A CA 2.768 54.775 52.037 -0.050 0.000 0.624 623 A CB -1.136 17.826 19.000 -0.062 0.000 0.822 623 A HN 0.635 nan 8.150 nan 0.000 0.444 624 T N -2.193 112.338 114.554 -0.038 0.000 2.788 624 T HA -0.148 4.202 4.350 0.000 0.000 0.268 624 T C 1.360 176.055 174.700 -0.009 0.000 1.044 624 T CA 1.551 63.634 62.100 -0.028 0.000 1.139 624 T CB -0.489 68.363 68.868 -0.026 0.000 0.867 624 T HN 0.355 nan 8.240 nan 0.000 0.454 625 D N 1.113 121.507 120.400 -0.010 0.000 2.117 625 D HA -0.019 4.621 4.640 0.000 0.000 0.198 625 D C 2.341 178.664 176.300 0.038 0.000 0.982 625 D CA 0.658 54.662 54.000 0.006 0.000 0.828 625 D CB -0.497 40.291 40.800 -0.020 0.000 0.967 625 D HN 0.304 nan 8.370 nan 0.000 0.464 626 V N 0.539 120.463 119.914 0.017 0.000 2.295 626 V HA -0.277 3.844 4.120 0.000 0.000 0.246 626 V C 2.710 178.849 176.094 0.076 0.000 1.049 626 V CA 1.272 63.603 62.300 0.051 0.000 1.024 626 V CB -0.551 31.269 31.823 -0.006 0.000 0.648 626 V HN 0.293 nan 8.190 nan 0.000 0.447 627 C N -0.447 118.865 119.300 0.021 0.000 2.398 627 C HA -0.239 4.221 4.460 0.000 0.000 0.276 627 C C 2.885 177.900 174.990 0.040 0.000 1.222 627 C CA 1.351 60.376 59.018 0.011 0.000 1.746 627 C CB -1.149 26.581 27.740 -0.016 0.000 2.039 627 C HN 0.610 nan 8.230 nan 0.000 0.470 628 Q N -0.760 119.071 119.800 0.052 0.000 2.096 628 Q HA -0.225 4.115 4.340 0.000 0.000 0.204 628 Q C 2.044 178.098 176.000 0.091 0.000 0.982 628 Q CA 1.832 57.670 55.803 0.059 0.000 0.850 628 Q CB -0.405 28.366 28.738 0.055 0.000 0.901 628 Q HN 0.773 nan 8.270 nan 0.000 0.422 629 F N 1.213 121.156 119.950 -0.013 0.000 2.102 629 F HA -0.158 4.369 4.527 0.000 0.000 0.298 629 F C 1.717 177.526 175.800 0.016 0.000 1.105 629 F CA 1.231 59.225 58.000 -0.009 0.000 1.239 629 F CB -0.182 38.799 39.000 -0.031 0.000 0.991 629 F HN -0.043 nan 8.300 nan 0.000 0.474 630 L N 0.065 121.207 121.223 -0.135 0.000 2.201 630 L HA -0.178 4.162 4.340 0.000 0.000 0.212 630 L C 2.426 179.306 176.870 0.016 0.000 1.105 630 L CA 1.649 56.385 54.840 -0.173 0.000 0.775 630 L CB -0.804 41.194 42.059 -0.103 0.000 0.913 630 L HN 0.289 nan 8.230 nan 0.000 0.440 631 E N 0.880 121.083 120.200 0.005 0.000 2.072 631 E HA -0.193 4.157 4.350 0.000 0.000 0.191 631 E C 2.310 178.865 176.600 -0.075 0.000 0.985 631 E CA 0.851 57.259 56.400 0.013 0.000 0.801 631 E CB 0.018 29.724 29.700 0.009 0.000 0.750 631 E HN 0.472 nan 8.360 nan 0.000 0.452 632 L N 0.181 121.328 121.223 -0.126 0.000 2.275 632 L HA -0.148 4.192 4.340 0.000 0.000 0.215 632 L C 2.284 179.032 176.870 -0.204 0.000 1.119 632 L CA 0.409 55.162 54.840 -0.145 0.000 0.790 632 L CB -0.131 41.861 42.059 -0.113 0.000 0.919 632 L HN 0.385 nan 8.230 nan 0.000 0.443 633 C N -1.031 118.102 119.300 -0.278 0.000 2.514 633 C HA -0.020 4.440 4.460 0.000 0.000 0.271 633 C C 1.530 176.446 174.990 -0.124 0.000 1.399 633 C CA -0.439 58.451 59.018 -0.213 0.000 1.765 633 C CB -0.738 26.839 27.740 -0.271 0.000 1.893 633 C HN 0.411 nan 8.230 nan 0.000 0.531 634 Q N 1.615 121.288 119.800 -0.212 0.000 2.313 634 Q HA 0.167 4.507 4.340 0.000 0.000 0.266 634 Q C 0.177 175.949 176.000 -0.380 0.000 0.989 634 Q CA 0.205 55.655 55.803 -0.588 0.000 0.890 634 Q CB 0.608 28.883 28.738 -0.773 0.000 1.200 634 Q HN 0.439 nan 8.270 nan 0.000 0.396 635 S N 4.235 119.697 115.700 -0.398 0.000 2.565 635 S HA 0.307 4.777 4.470 0.000 0.000 0.274 635 S C -1.602 172.857 174.600 -0.235 0.000 1.309 635 S CA -1.545 56.503 58.200 -0.254 0.000 1.043 635 S CB 0.818 63.874 63.200 -0.239 0.000 0.939 635 S HN 0.663 nan 8.310 nan 0.000 0.504 636 P HA -0.102 nan 4.420 nan 0.000 0.225 636 P C 0.654 177.888 177.300 -0.111 0.000 1.148 636 P CA 0.910 63.940 63.100 -0.116 0.000 0.779 636 P CB -0.107 31.550 31.700 -0.071 0.000 0.780 637 E N -0.139 119.988 120.200 -0.122 0.000 2.489 637 E HA 0.298 4.648 4.350 0.000 0.000 0.193 637 E C 0.625 177.150 176.600 -0.124 0.000 1.057 637 E CA 0.131 56.476 56.400 -0.091 0.000 0.866 637 E CB -0.297 29.369 29.700 -0.057 0.000 0.916 637 E HN 0.104 nan 8.360 nan 0.000 0.500 638 G N -0.439 108.219 108.800 -0.236 0.000 2.674 638 G HA2 0.307 4.267 3.960 0.000 0.000 0.686 638 G HA3 0.307 4.267 3.960 0.000 0.000 0.686 638 G C 0.261 174.831 174.900 -0.550 0.000 1.195 638 G CA -0.587 44.352 45.100 -0.269 0.000 0.776 638 G HN 1.003 nan 8.290 nan 0.000 0.654 639 G N -0.750 107.784 108.800 -0.443 0.000 2.795 639 G HA2 0.364 4.324 3.960 0.000 0.000 0.664 639 G HA3 0.364 4.324 3.960 0.000 0.000 0.664 639 G C -0.482 174.105 174.900 -0.521 0.000 1.381 639 G CA 0.110 44.977 45.100 -0.388 0.000 0.853 639 G HN 1.761 nan 8.290 nan 0.000 0.545 640 F N 0.356 120.202 119.950 -0.173 0.000 2.522 640 F HA 0.729 5.256 4.527 0.000 0.000 0.324 640 F C 1.105 176.851 175.800 -0.091 0.000 1.077 640 F CA 0.205 58.117 58.000 -0.146 0.000 0.944 640 F CB 2.107 41.017 39.000 -0.151 0.000 1.175 640 F HN 0.816 nan 8.300 nan 0.000 0.468 641 G N -0.135 108.710 108.800 0.075 0.000 2.552 641 G HA2 0.444 4.404 3.960 0.000 0.000 0.318 641 G HA3 0.444 4.404 3.960 0.000 0.000 0.318 641 G C 0.806 175.738 174.900 0.053 0.000 1.240 641 G CA -0.449 44.692 45.100 0.067 0.000 1.002 641 G HN 0.898 nan 8.290 nan 0.000 0.493 642 G N -1.690 107.140 108.800 0.050 0.000 2.625 642 G HA2 0.434 4.394 3.960 0.000 0.000 0.214 642 G HA3 0.434 4.394 3.960 0.000 0.000 0.214 642 G C 0.700 175.644 174.900 0.073 0.000 1.132 642 G CA 1.064 46.202 45.100 0.063 0.000 0.782 642 G HN 1.267 nan 8.290 nan 0.000 0.538 643 G N -1.492 107.324 108.800 0.026 0.000 2.451 643 G HA2 0.476 4.437 3.960 0.000 0.000 0.292 643 G HA3 0.476 4.437 3.960 0.000 0.000 0.292 643 G C -3.431 171.444 174.900 -0.042 0.000 1.427 643 G CA -0.985 44.136 45.100 0.036 0.000 0.792 643 G HN -0.108 nan 8.290 nan 0.000 0.498 644 P HA 0.318 nan 4.420 nan 0.000 0.263 644 P C 1.029 178.305 177.300 -0.041 0.000 1.195 644 P CA 2.017 65.082 63.100 -0.058 0.000 0.762 644 P CB 0.983 32.680 31.700 -0.006 0.000 0.799 645 G N 1.921 110.686 108.800 -0.058 0.000 2.199 645 G HA2 -0.259 3.701 3.960 0.000 0.000 0.254 645 G HA3 -0.259 3.701 3.960 0.000 0.000 0.254 645 G C 0.180 175.021 174.900 -0.097 0.000 0.982 645 G CA -0.276 44.788 45.100 -0.061 0.000 0.632 645 G HN 0.555 nan 8.290 nan 0.000 0.529 646 Q N -0.451 119.298 119.800 -0.086 0.000 2.306 646 Q HA 0.517 4.857 4.340 0.000 0.000 0.241 646 Q C 0.065 176.049 176.000 -0.026 0.000 0.948 646 Q CA -0.605 55.127 55.803 -0.118 0.000 0.886 646 Q CB 0.774 29.479 28.738 -0.054 0.000 1.227 646 Q HN 0.498 nan 8.270 nan 0.000 0.457 647 Y N 1.908 122.212 120.300 0.006 0.000 2.457 647 Y HA 0.046 4.596 4.550 0.000 0.000 0.341 647 Y C -1.549 174.357 175.900 0.010 0.000 1.240 647 Y CA -1.863 56.245 58.100 0.012 0.000 1.437 647 Y CB 0.131 38.631 38.460 0.067 0.000 1.328 647 Y HN 0.445 nan 8.280 nan 0.000 0.588 648 P HA -0.015 nan 4.420 nan 0.000 0.272 648 P C -1.058 176.396 177.300 0.256 0.000 1.230 648 P CA 0.478 63.562 63.100 -0.028 0.000 0.788 648 P CB 1.153 32.505 31.700 -0.580 0.000 0.949 649 H N 1.549 120.739 119.070 0.199 0.000 3.029 649 H HA 0.183 4.739 4.556 0.000 0.000 0.358 649 H C 0.700 176.227 175.328 0.332 0.000 1.129 649 H CA -0.553 55.684 56.048 0.315 0.000 1.230 649 H CB 1.454 31.327 29.762 0.185 0.000 1.827 649 H HN 0.208 nan 8.280 nan 0.000 0.530 650 L N 2.844 124.318 121.223 0.420 0.000 2.127 650 L HA -0.177 4.163 4.340 0.000 0.000 0.211 650 L C 2.480 179.615 176.870 0.441 0.000 1.089 650 L CA 1.576 56.642 54.840 0.376 0.000 0.757 650 L CB -0.433 41.742 42.059 0.193 0.000 0.899 650 L HN 0.685 nan 8.230 nan 0.000 0.434 651 A N 0.874 124.125 122.820 0.718 0.000 1.845 651 A HA -0.112 4.208 4.320 0.000 0.000 0.215 651 A C -0.115 177.617 177.584 0.247 0.000 1.195 651 A CA 1.674 54.108 52.037 0.661 0.000 0.616 651 A CB -1.890 17.603 19.000 0.821 0.000 0.832 651 A HN 0.289 nan 8.150 nan 0.000 0.443 652 P HA -0.082 nan 4.420 nan 0.000 0.223 652 P C 1.207 178.379 177.300 -0.213 0.000 1.151 652 P CA 1.557 64.531 63.100 -0.210 0.000 0.787 652 P CB -0.321 31.380 31.700 0.002 0.000 0.788 653 T N -0.672 113.906 114.554 0.040 0.000 2.737 653 T HA -0.182 4.168 4.350 0.000 0.000 0.265 653 T C 1.703 176.327 174.700 -0.127 0.000 1.038 653 T CA 1.206 63.359 62.100 0.090 0.000 1.144 653 T CB -1.097 67.937 68.868 0.277 0.000 0.866 653 T HN 0.088 nan 8.240 nan 0.000 0.434 654 Y N 2.278 122.442 120.300 -0.226 0.000 2.128 654 Y HA -0.079 4.471 4.550 0.000 0.000 0.284 654 Y C 2.478 178.023 175.900 -0.592 0.000 1.154 654 Y CA 1.062 58.966 58.100 -0.327 0.000 1.149 654 Y CB -0.771 37.557 38.460 -0.220 0.000 0.976 654 Y HN 0.162 nan 8.280 nan 0.000 0.505 655 A N 0.819 123.049 122.820 -0.984 0.000 1.877 655 A HA -0.093 4.227 4.320 0.000 0.000 0.216 655 A C 2.455 179.539 177.584 -0.833 0.000 1.186 655 A CA 2.026 53.313 52.037 -1.250 0.000 0.620 655 A CB -1.571 16.497 19.000 -1.554 0.000 0.822 655 A HN 0.665 nan 8.150 nan 0.000 0.443 656 A N -0.574 121.795 122.820 -0.751 0.000 1.877 656 A HA -0.005 4.315 4.320 0.000 0.000 0.216 656 A C 2.240 179.396 177.584 -0.714 0.000 1.186 656 A CA 1.813 53.372 52.037 -0.797 0.000 0.620 656 A CB -0.994 17.186 19.000 -1.367 0.000 0.822 656 A HN 0.395 nan 8.150 nan 0.000 0.443 657 V N 0.831 120.348 119.914 -0.662 0.000 2.295 657 V HA -0.270 3.850 4.120 0.000 0.000 0.246 657 V C 2.367 178.249 176.094 -0.352 0.000 1.049 657 V CA 2.272 64.323 62.300 -0.415 0.000 1.024 657 V CB -1.054 30.594 31.823 -0.292 0.000 0.648 657 V HN 0.548 nan 8.190 nan 0.000 0.447 658 N N 0.379 118.767 118.700 -0.521 0.000 2.120 658 N HA -0.123 4.617 4.740 0.000 0.000 0.188 658 N C 1.859 177.249 175.510 -0.199 0.000 1.024 658 N CA 1.685 54.473 53.050 -0.437 0.000 0.852 658 N CB -0.590 37.381 38.487 -0.859 0.000 1.003 658 N HN 0.480 nan 8.380 nan 0.000 0.424 659 A N 0.871 123.568 122.820 -0.205 0.000 1.883 659 A HA -0.086 4.234 4.320 0.000 0.000 0.217 659 A C 2.316 179.838 177.584 -0.103 0.000 1.186 659 A CA 1.060 53.044 52.037 -0.088 0.000 0.624 659 A CB -0.829 18.094 19.000 -0.127 0.000 0.822 659 A HN 0.266 nan 8.150 nan 0.000 0.444 660 L N -0.930 120.205 121.223 -0.146 0.000 2.131 660 L HA -0.236 4.104 4.340 0.000 0.000 0.210 660 L C 2.615 179.455 176.870 -0.049 0.000 1.092 660 L CA 1.112 55.895 54.840 -0.096 0.000 0.759 660 L CB -0.622 41.398 42.059 -0.064 0.000 0.903 660 L HN 0.497 nan 8.230 nan 0.000 0.435 661 C N -0.329 118.972 119.300 0.000 0.000 2.450 661 C HA -0.050 4.410 4.460 0.000 0.000 0.279 661 C C 2.701 177.702 174.990 0.017 0.000 1.335 661 C CA 0.124 59.195 59.018 0.089 0.000 1.749 661 C CB -0.492 27.281 27.740 0.054 0.000 1.963 661 C HN 0.424 nan 8.230 nan 0.000 0.501 662 I N 0.789 121.352 120.570 -0.011 0.000 2.226 662 I HA -0.199 3.971 4.170 0.000 0.000 0.245 662 I C 2.283 178.373 176.117 -0.044 0.000 1.100 662 I CA 1.678 62.979 61.300 0.003 0.000 1.374 662 I CB -0.329 37.691 38.000 0.033 0.000 1.057 662 I HN 0.300 nan 8.210 nan 0.000 0.413 663 I N 0.564 121.082 120.570 -0.088 0.000 2.226 663 I HA -0.192 3.978 4.170 0.000 0.000 0.245 663 I C 1.895 177.883 176.117 -0.214 0.000 1.100 663 I CA 1.256 62.475 61.300 -0.134 0.000 1.374 663 I CB -0.803 37.109 38.000 -0.148 0.000 1.057 663 I HN 0.475 nan 8.210 nan 0.000 0.413 664 G N 1.751 110.362 108.800 -0.316 0.000 2.187 664 G HA2 -0.293 3.667 3.960 0.000 0.000 0.261 664 G HA3 -0.293 3.667 3.960 0.000 0.000 0.261 664 G C 0.434 174.847 174.900 -0.811 0.000 1.000 664 G CA 0.687 45.474 45.100 -0.523 0.000 0.718 664 G HN 0.516 nan 8.290 nan 0.000 0.519 665 T N -3.171 110.932 114.554 -0.753 0.000 2.934 665 T HA 0.629 4.980 4.350 0.000 0.000 0.283 665 T C 1.152 175.377 174.700 -0.792 0.000 1.005 665 T CA 0.138 61.886 62.100 -0.587 0.000 1.041 665 T CB 1.745 70.419 68.868 -0.323 0.000 1.042 665 T HN 0.219 nan 8.240 nan 0.000 0.505 666 E N 0.293 120.209 120.200 -0.473 0.000 2.153 666 E HA -0.204 4.147 4.350 0.000 0.000 0.194 666 E C 1.904 178.378 176.600 -0.209 0.000 0.988 666 E CA 1.231 57.423 56.400 -0.347 0.000 0.811 666 E CB -0.011 29.622 29.700 -0.112 0.000 0.746 666 E HN 0.918 nan 8.360 nan 0.000 0.466 667 E N 1.214 121.304 120.200 -0.184 0.000 2.058 667 E HA -0.219 4.131 4.350 0.000 0.000 0.194 667 E C 2.087 178.627 176.600 -0.099 0.000 0.997 667 E CA 1.174 57.513 56.400 -0.102 0.000 0.801 667 E CB -0.076 29.568 29.700 -0.093 0.000 0.746 667 E HN 0.193 nan 8.360 nan 0.000 0.450 668 A N 0.421 123.119 122.820 -0.203 0.000 1.858 668 A HA -0.162 4.158 4.320 0.000 0.000 0.216 668 A C 2.056 179.630 177.584 -0.016 0.000 1.190 668 A CA 1.488 53.432 52.037 -0.155 0.000 0.617 668 A CB -1.189 17.649 19.000 -0.270 0.000 0.827 668 A HN 0.526 nan 8.150 nan 0.000 0.443 669 Y N 0.277 120.511 120.300 -0.110 0.000 2.114 669 Y HA -0.253 4.297 4.550 0.000 0.000 0.282 669 Y C 2.015 178.032 175.900 0.194 0.000 1.165 669 Y CA 0.838 58.920 58.100 -0.029 0.000 1.148 669 Y CB -0.184 37.888 38.460 -0.646 0.000 0.972 669 Y HN 0.295 nan 8.280 nan 0.000 0.504 670 D N 0.160 120.717 120.400 0.262 0.000 2.371 670 D HA -0.073 4.568 4.640 0.000 0.000 0.221 670 D C 1.816 178.227 176.300 0.186 0.000 0.986 670 D CA 0.702 54.853 54.000 0.252 0.000 0.899 670 D CB -0.147 40.761 40.800 0.180 0.000 0.902 670 D HN 0.447 nan 8.370 nan 0.000 0.530 671 I N 0.762 121.432 120.570 0.166 0.000 2.394 671 I HA -0.140 4.030 4.170 0.000 0.000 0.251 671 I C 0.969 177.185 176.117 0.165 0.000 1.136 671 I CA 0.404 61.786 61.300 0.137 0.000 1.425 671 I CB 0.064 38.143 38.000 0.133 0.000 1.079 671 I HN -0.138 nan 8.210 nan 0.000 0.425 672 I N 2.448 123.160 120.570 0.237 0.000 2.587 672 I HA -0.106 4.064 4.170 0.000 0.000 0.284 672 I C 0.588 176.762 176.117 0.095 0.000 1.134 672 I CA 0.211 61.637 61.300 0.210 0.000 1.410 672 I CB -0.221 37.902 38.000 0.205 0.000 1.392 672 I HN 0.170 nan 8.210 nan 0.000 0.545 673 N N 7.299 125.995 118.700 -0.008 0.000 2.555 673 N HA 0.108 4.848 4.740 0.000 0.000 0.244 673 N C 0.993 176.483 175.510 -0.033 0.000 1.114 673 N CA 0.011 53.041 53.050 -0.033 0.000 0.963 673 N CB 0.467 38.896 38.487 -0.097 0.000 1.276 673 N HN 0.473 nan 8.380 nan 0.000 0.510 674 R N 1.939 122.434 120.500 -0.008 0.000 2.081 674 R HA -0.128 4.212 4.340 0.000 0.000 0.235 674 R C 1.012 177.293 176.300 -0.032 0.000 1.131 674 R CA 1.393 57.475 56.100 -0.031 0.000 0.960 674 R CB 0.158 30.441 30.300 -0.028 0.000 0.856 674 R HN 0.453 nan 8.270 nan 0.000 0.436 675 E N 0.767 120.949 120.200 -0.030 0.000 2.038 675 E HA -0.166 4.185 4.350 0.000 0.000 0.195 675 E C 1.830 178.399 176.600 -0.052 0.000 1.000 675 E CA 1.254 57.627 56.400 -0.045 0.000 0.803 675 E CB 0.025 29.698 29.700 -0.045 0.000 0.750 675 E HN 0.068 nan 8.360 nan 0.000 0.448 676 K N 0.143 120.514 120.400 -0.049 0.000 2.155 676 K HA -0.036 4.285 4.320 0.000 0.000 0.203 676 K C 2.094 178.693 176.600 -0.003 0.000 1.052 676 K CA 0.386 56.647 56.287 -0.044 0.000 0.948 676 K CB -0.455 31.998 32.500 -0.078 0.000 0.728 676 K HN 0.130 nan 8.250 nan 0.000 0.448 677 L N 1.275 122.493 121.223 -0.008 0.000 2.017 677 L HA -0.127 4.213 4.340 0.000 0.000 0.208 677 L C 2.102 179.033 176.870 0.102 0.000 1.073 677 L CA 1.384 56.258 54.840 0.058 0.000 0.745 677 L CB -0.807 41.270 42.059 0.030 0.000 0.894 677 L HN 0.060 nan 8.230 nan 0.000 0.432 678 L N -0.427 120.814 121.223 0.030 0.000 2.046 678 L HA -0.225 4.115 4.340 0.000 0.000 0.208 678 L C 2.496 179.360 176.870 -0.009 0.000 1.077 678 L CA 1.805 56.653 54.840 0.014 0.000 0.747 678 L CB -0.817 41.206 42.059 -0.060 0.000 0.896 678 L HN 0.463 nan 8.230 nan 0.000 0.432 679 Q N -2.017 117.750 119.800 -0.055 0.000 2.084 679 Q HA -0.266 4.075 4.340 0.000 0.000 0.202 679 Q C 2.144 178.201 176.000 0.095 0.000 0.978 679 Q CA 1.987 57.755 55.803 -0.058 0.000 0.844 679 Q CB -0.438 28.268 28.738 -0.054 0.000 0.898 679 Q HN 0.614 nan 8.270 nan 0.000 0.426 680 Y N 1.313 121.615 120.300 0.004 0.000 2.145 680 Y HA -0.221 4.329 4.550 0.000 0.000 0.286 680 Y C 1.757 177.708 175.900 0.086 0.000 1.145 680 Y CA 1.327 59.444 58.100 0.028 0.000 1.148 680 Y CB -0.308 38.157 38.460 0.008 0.000 0.981 680 Y HN 0.017 nan 8.280 nan 0.000 0.507 681 L N -1.414 119.823 121.223 0.023 0.000 2.012 681 L HA -0.299 4.041 4.340 0.000 0.000 0.210 681 L C 2.269 179.196 176.870 0.095 0.000 1.073 681 L CA 1.660 56.505 54.840 0.009 0.000 0.748 681 L CB -0.985 41.131 42.059 0.094 0.000 0.891 681 L HN 0.211 nan 8.230 nan 0.000 0.431 682 Y N 0.675 120.927 120.300 -0.080 0.000 2.207 682 Y HA -0.271 4.279 4.550 0.000 0.000 0.287 682 Y C 3.104 178.915 175.900 -0.148 0.000 1.156 682 Y CA 1.475 59.509 58.100 -0.110 0.000 1.182 682 Y CB -0.740 37.670 38.460 -0.083 0.000 0.979 682 Y HN 0.310 nan 8.280 nan 0.000 0.521 683 S N -0.897 114.812 115.700 0.014 0.000 2.507 683 S HA -0.076 4.394 4.470 0.000 0.000 0.235 683 S C 1.476 175.979 174.600 -0.163 0.000 0.988 683 S CA 0.971 59.130 58.200 -0.067 0.000 0.944 683 S CB -0.627 62.555 63.200 -0.031 0.000 0.762 683 S HN 0.482 nan 8.310 nan 0.000 0.526 684 L N -0.551 120.547 121.223 -0.208 0.000 2.701 684 L HA 0.395 4.735 4.340 0.000 0.000 0.238 684 L C 0.666 177.366 176.870 -0.283 0.000 1.106 684 L CA -0.351 54.364 54.840 -0.208 0.000 0.898 684 L CB 0.007 41.952 42.059 -0.190 0.000 1.188 684 L HN 0.067 nan 8.230 nan 0.000 0.508 685 K N 2.013 122.154 120.400 -0.432 0.000 2.416 685 K HA 0.087 4.407 4.320 0.000 0.000 0.283 685 K C -0.140 176.101 176.600 -0.598 0.000 1.037 685 K CA 0.309 56.080 56.287 -0.861 0.000 0.995 685 K CB 0.437 32.428 32.500 -0.847 0.000 0.938 685 K HN -0.070 nan 8.250 nan 0.000 0.475 686 Q N 5.286 124.706 119.800 -0.633 0.000 2.205 686 Q HA 0.229 4.569 4.340 0.000 0.000 0.249 686 Q C -1.712 174.065 176.000 -0.370 0.000 0.948 686 Q CA -2.053 53.497 55.803 -0.421 0.000 0.895 686 Q CB 0.878 29.380 28.738 -0.394 0.000 1.249 686 Q HN 0.513 nan 8.270 nan 0.000 0.458 687 P HA -0.143 nan 4.420 nan 0.000 0.223 687 P C 0.336 177.543 177.300 -0.154 0.000 1.151 687 P CA 1.160 64.146 63.100 -0.190 0.000 0.787 687 P CB 0.296 31.916 31.700 -0.135 0.000 0.788 688 D N -1.194 119.113 120.400 -0.155 0.000 2.336 688 D HA 0.088 4.729 4.640 0.000 0.000 0.229 688 D C 1.466 177.720 176.300 -0.076 0.000 1.061 688 D CA 0.535 54.496 54.000 -0.065 0.000 0.875 688 D CB -0.719 40.087 40.800 0.010 0.000 0.904 688 D HN 0.270 nan 8.370 nan 0.000 0.525 689 G N -0.055 108.614 108.800 -0.218 0.000 2.213 689 G HA2 -0.274 3.686 3.960 0.000 0.000 0.236 689 G HA3 -0.274 3.686 3.960 0.000 0.000 0.236 689 G C 0.464 175.133 174.900 -0.386 0.000 0.991 689 G CA 0.347 45.329 45.100 -0.197 0.000 0.629 689 G HN 0.819 nan 8.290 nan 0.000 0.517 690 S N -0.309 114.943 115.700 -0.747 0.000 2.681 690 S HA 0.833 5.303 4.470 0.000 0.000 0.270 690 S C -0.336 173.851 174.600 -0.687 0.000 1.209 690 S CA -0.510 57.087 58.200 -1.004 0.000 0.988 690 S CB 1.580 63.750 63.200 -1.716 0.000 1.006 690 S HN 0.524 nan 8.310 nan 0.000 0.558 691 F N -0.417 119.241 119.950 -0.487 0.000 2.563 691 F HA 0.533 5.060 4.527 0.000 0.000 0.316 691 F C -0.028 175.607 175.800 -0.274 0.000 1.076 691 F CA -1.068 56.745 58.000 -0.312 0.000 0.921 691 F CB 1.492 40.369 39.000 -0.205 0.000 1.209 691 F HN 0.444 nan 8.300 nan 0.000 0.462 692 L N 3.313 124.496 121.223 -0.067 0.000 2.418 692 L HA 0.180 4.520 4.340 0.000 0.000 0.265 692 L C 1.242 178.069 176.870 -0.072 0.000 1.143 692 L CA -0.672 54.099 54.840 -0.115 0.000 0.809 692 L CB 0.695 42.647 42.059 -0.178 0.000 1.124 692 L HN 0.669 nan 8.230 nan 0.000 0.456 693 M N 0.820 120.370 119.600 -0.084 0.000 2.319 693 M HA -0.025 4.455 4.480 0.000 0.000 0.265 693 M C 0.433 176.622 176.300 -0.184 0.000 1.068 693 M CA 1.277 56.519 55.300 -0.097 0.000 1.118 693 M CB -1.029 31.556 32.600 -0.024 0.000 1.395 693 M HN 0.796 nan 8.290 nan 0.000 0.435 694 H N -5.004 113.943 119.070 -0.206 0.000 2.917 694 H HA 0.464 5.020 4.556 0.000 0.000 0.299 694 H C -0.905 174.409 175.328 -0.023 0.000 1.418 694 H CA -1.242 54.764 56.048 -0.071 0.000 1.138 694 H CB 0.519 30.256 29.762 -0.042 0.000 1.830 694 H HN -0.250 nan 8.280 nan 0.000 0.514 695 V N 1.542 121.485 119.914 0.049 0.000 2.557 695 V HA 0.235 4.356 4.120 0.000 0.000 0.301 695 V C 1.627 177.616 176.094 -0.175 0.000 1.026 695 V CA 1.603 63.865 62.300 -0.063 0.000 1.137 695 V CB 0.174 31.994 31.823 -0.005 0.000 0.917 695 V HN 1.395 nan 8.190 nan 0.000 0.484 696 G N 3.495 112.178 108.800 -0.195 0.000 2.203 696 G HA2 -0.162 3.798 3.960 0.000 0.000 0.263 696 G HA3 -0.162 3.798 3.960 0.000 0.000 0.263 696 G C 0.479 175.192 174.900 -0.312 0.000 1.012 696 G CA 0.220 45.218 45.100 -0.171 0.000 0.749 696 G HN 1.372 nan 8.290 nan 0.000 0.512 697 G N -0.816 107.618 108.800 -0.610 0.000 2.552 697 G HA2 0.688 4.649 3.960 0.000 0.000 0.318 697 G HA3 0.688 4.649 3.960 0.000 0.000 0.318 697 G C 0.194 174.943 174.900 -0.252 0.000 1.240 697 G CA 0.134 44.809 45.100 -0.709 0.000 1.002 697 G HN 0.628 nan 8.290 nan 0.000 0.493 698 E N -0.968 119.181 120.200 -0.085 0.000 2.374 698 E HA 0.339 4.689 4.350 0.000 0.000 0.260 698 E C -0.429 176.161 176.600 -0.017 0.000 1.101 698 E CA -0.570 55.823 56.400 -0.012 0.000 0.907 698 E CB 1.584 31.324 29.700 0.067 0.000 1.014 698 E HN 0.689 nan 8.360 nan 0.000 0.427 699 V N 0.180 120.087 119.914 -0.012 0.000 2.604 699 V HA 0.730 4.850 4.120 0.000 0.000 0.305 699 V C -1.478 174.646 176.094 0.049 0.000 1.043 699 V CA -0.126 62.158 62.300 -0.026 0.000 0.888 699 V CB 1.311 33.059 31.823 -0.124 0.000 0.995 699 V HN 0.985 nan 8.190 nan 0.000 0.429 700 D N 2.660 123.109 120.400 0.082 0.000 2.692 700 D HA 0.337 4.977 4.640 0.000 0.000 0.290 700 D C 0.421 176.872 176.300 0.253 0.000 1.281 700 D CA -0.099 53.998 54.000 0.162 0.000 0.804 700 D CB 1.426 42.218 40.800 -0.014 0.000 1.331 700 D HN 0.325 nan 8.370 nan 0.000 0.432 701 V N 0.096 120.185 119.914 0.292 0.000 2.568 701 V HA -0.232 3.888 4.120 0.000 0.000 0.253 701 V C 2.317 178.601 176.094 0.317 0.000 1.072 701 V CA 1.888 64.416 62.300 0.381 0.000 1.084 701 V CB -1.069 30.900 31.823 0.243 0.000 0.676 701 V HN 0.514 nan 8.190 nan 0.000 0.469 702 R N 1.238 121.938 120.500 0.333 0.000 2.117 702 R HA -0.186 4.154 4.340 0.000 0.000 0.243 702 R C 2.691 179.139 176.300 0.247 0.000 1.143 702 R CA 1.829 58.120 56.100 0.318 0.000 0.968 702 R CB -0.646 29.848 30.300 0.322 0.000 0.863 702 R HN 0.751 nan 8.270 nan 0.000 0.444 703 S N 0.724 116.533 115.700 0.183 0.000 2.368 703 S HA -0.127 4.343 4.470 0.000 0.000 0.225 703 S C 2.270 176.860 174.600 -0.017 0.000 1.030 703 S CA 1.017 59.270 58.200 0.089 0.000 0.999 703 S CB -0.265 62.982 63.200 0.079 0.000 0.844 703 S HN 0.378 nan 8.310 nan 0.000 0.459 704 A N 0.788 123.651 122.820 0.071 0.000 1.902 704 A HA -0.035 4.285 4.320 0.000 0.000 0.217 704 A C 2.113 179.706 177.584 0.014 0.000 1.181 704 A CA 1.631 53.695 52.037 0.044 0.000 0.623 704 A CB -1.263 17.879 19.000 0.237 0.000 0.818 704 A HN 0.718 nan 8.150 nan 0.000 0.443 705 Y N 0.118 120.409 120.300 -0.015 0.000 2.163 705 Y HA -0.231 4.320 4.550 0.000 0.000 0.288 705 Y C 2.553 178.428 175.900 -0.041 0.000 1.136 705 Y CA 1.312 59.386 58.100 -0.043 0.000 1.147 705 Y CB -0.935 37.520 38.460 -0.009 0.000 0.987 705 Y HN 0.362 nan 8.280 nan 0.000 0.509 706 C N 0.648 119.821 119.300 -0.212 0.000 2.413 706 C HA -0.167 4.293 4.460 0.000 0.000 0.276 706 C C 3.083 177.990 174.990 -0.138 0.000 1.248 706 C CA 1.347 60.231 59.018 -0.223 0.000 1.742 706 C CB -1.806 25.942 27.740 0.013 0.000 2.017 706 C HN 0.745 nan 8.230 nan 0.000 0.481 707 A N 0.417 123.127 122.820 -0.184 0.000 1.873 707 A HA 0.090 4.410 4.320 0.000 0.000 0.215 707 A C 2.379 179.983 177.584 0.034 0.000 1.186 707 A CA 2.068 53.998 52.037 -0.179 0.000 0.616 707 A CB -1.005 17.586 19.000 -0.681 0.000 0.823 707 A HN 0.575 nan 8.150 nan 0.000 0.442 708 A N -0.828 121.954 122.820 -0.063 0.000 1.933 708 A HA -0.093 4.228 4.320 0.000 0.000 0.218 708 A C 2.468 180.003 177.584 -0.083 0.000 1.175 708 A CA 2.192 54.102 52.037 -0.213 0.000 0.628 708 A CB -0.910 17.808 19.000 -0.470 0.000 0.814 708 A HN 0.570 nan 8.150 nan 0.000 0.444 709 S N -0.273 115.341 115.700 -0.145 0.000 2.343 709 S HA -0.162 4.308 4.470 0.000 0.000 0.219 709 S C 2.103 176.773 174.600 0.116 0.000 1.033 709 S CA 2.324 60.538 58.200 0.023 0.000 1.014 709 S CB -0.862 62.270 63.200 -0.113 0.000 0.915 709 S HN 1.010 nan 8.310 nan 0.000 0.435 710 V N 0.602 120.542 119.914 0.044 0.000 2.427 710 V HA 0.104 4.224 4.120 0.000 0.000 0.248 710 V C 2.523 178.614 176.094 -0.006 0.000 1.051 710 V CA 1.696 63.997 62.300 0.000 0.000 1.048 710 V CB -1.692 30.139 31.823 0.014 0.000 0.666 710 V HN 0.528 nan 8.190 nan 0.000 0.456 711 A N 1.678 124.537 122.820 0.066 0.000 1.898 711 A HA -0.117 4.203 4.320 0.000 0.000 0.216 711 A C 2.591 180.222 177.584 0.078 0.000 1.181 711 A CA 2.438 54.535 52.037 0.100 0.000 0.620 711 A CB -0.971 18.190 19.000 0.268 0.000 0.819 711 A HN 0.905 nan 8.150 nan 0.000 0.442 712 S N 0.073 115.830 115.700 0.096 0.000 2.371 712 S HA -0.052 4.419 4.470 0.000 0.000 0.224 712 S C 1.916 176.528 174.600 0.020 0.000 1.029 712 S CA 1.297 59.551 58.200 0.090 0.000 0.978 712 S CB -0.768 62.522 63.200 0.150 0.000 0.833 712 S HN 0.414 nan 8.310 nan 0.000 0.466 713 L N 1.930 123.127 121.223 -0.043 0.000 2.046 713 L HA -0.071 4.269 4.340 0.000 0.000 0.208 713 L C 2.905 179.688 176.870 -0.144 0.000 1.077 713 L CA 1.682 56.431 54.840 -0.153 0.000 0.747 713 L CB -1.038 40.881 42.059 -0.233 0.000 0.896 713 L HN 0.626 nan 8.230 nan 0.000 0.432 714 T N -4.242 110.121 114.554 -0.318 0.000 3.144 714 T HA 0.051 4.401 4.350 0.000 0.000 0.249 714 T C 0.813 175.316 174.700 -0.329 0.000 1.089 714 T CA 0.134 61.778 62.100 -0.760 0.000 0.989 714 T CB -0.343 68.053 68.868 -0.786 0.000 0.992 714 T HN 0.346 nan 8.240 nan 0.000 0.540 715 N N 1.317 119.966 118.700 -0.085 0.000 2.708 715 N HA -0.174 4.566 4.740 0.000 0.000 0.255 715 N C 0.229 175.747 175.510 0.014 0.000 1.046 715 N CA 0.939 53.997 53.050 0.014 0.000 0.715 715 N CB -1.878 36.653 38.487 0.074 0.000 0.895 715 N HN 0.918 nan 8.380 nan 0.000 0.545 716 I N -2.679 117.903 120.570 0.020 0.000 3.966 716 I HA 0.381 4.551 4.170 0.000 0.000 0.324 716 I C 0.029 176.204 176.117 0.096 0.000 1.517 716 I CA -0.654 60.670 61.300 0.040 0.000 1.117 716 I CB 0.100 38.103 38.000 0.005 0.000 1.190 716 I HN 0.018 nan 8.210 nan 0.000 0.466 717 I N 3.578 124.228 120.570 0.133 0.000 2.471 717 I HA 0.131 4.301 4.170 0.000 0.000 0.286 717 I C 0.839 177.047 176.117 0.153 0.000 1.079 717 I CA 0.279 61.699 61.300 0.200 0.000 1.398 717 I CB 1.166 39.322 38.000 0.260 0.000 1.403 717 I HN 0.363 nan 8.210 nan 0.000 0.530 718 T N 3.707 118.354 114.554 0.155 0.000 2.952 718 T HA 0.398 4.748 4.350 0.000 0.000 0.286 718 T C -1.447 173.323 174.700 0.116 0.000 1.024 718 T CA -1.786 60.393 62.100 0.131 0.000 1.029 718 T CB 1.743 70.722 68.868 0.185 0.000 1.094 718 T HN 0.392 nan 8.240 nan 0.000 0.515 719 P HA -0.098 nan 4.420 nan 0.000 0.219 719 P C 0.787 178.120 177.300 0.054 0.000 1.146 719 P CA 1.271 64.413 63.100 0.070 0.000 0.808 719 P CB 0.107 31.832 31.700 0.041 0.000 0.779 720 D N -0.891 119.523 120.400 0.024 0.000 2.367 720 D HA -0.041 4.599 4.640 0.000 0.000 0.207 720 D C 1.971 178.168 176.300 -0.172 0.000 1.034 720 D CA -0.130 53.840 54.000 -0.051 0.000 0.861 720 D CB -0.738 40.023 40.800 -0.065 0.000 0.943 720 D HN 0.027 nan 8.370 nan 0.000 0.515 721 L N 0.380 121.485 121.223 -0.196 0.000 2.013 721 L HA -0.104 4.236 4.340 0.000 0.000 0.212 721 L C 1.204 177.775 176.870 -0.498 0.000 1.073 721 L CA 1.745 56.314 54.840 -0.452 0.000 0.753 721 L CB -0.705 41.102 42.059 -0.419 0.000 0.890 721 L HN -0.054 nan 8.230 nan 0.000 0.432 722 F N -0.480 119.506 119.950 0.060 0.000 2.684 722 F HA 0.230 4.758 4.527 0.000 0.000 0.298 722 F C 0.708 176.529 175.800 0.035 0.000 1.120 722 F CA -0.710 57.352 58.000 0.104 0.000 1.332 722 F CB -0.306 38.766 39.000 0.120 0.000 0.986 722 F HN 0.143 nan 8.300 nan 0.000 0.524 723 E N 0.370 120.612 120.200 0.070 0.000 2.351 723 E HA 0.386 4.736 4.350 0.000 0.000 0.266 723 E C 1.260 177.871 176.600 0.019 0.000 1.031 723 E CA 0.754 57.176 56.400 0.037 0.000 0.911 723 E CB 0.666 30.353 29.700 -0.022 0.000 0.986 723 E HN 0.385 nan 8.360 nan 0.000 0.446 724 G N 3.143 111.978 108.800 0.058 0.000 2.241 724 G HA2 -0.370 3.590 3.960 0.000 0.000 0.244 724 G HA3 -0.370 3.590 3.960 0.000 0.000 0.244 724 G C 1.151 176.131 174.900 0.134 0.000 0.998 724 G CA 0.434 45.572 45.100 0.063 0.000 0.621 724 G HN 0.591 nan 8.290 nan 0.000 0.519 725 T N 1.343 116.003 114.554 0.178 0.000 2.684 725 T HA 0.107 4.458 4.350 0.000 0.000 0.267 725 T C 2.787 177.651 174.700 0.273 0.000 1.036 725 T CA 2.721 64.989 62.100 0.279 0.000 1.148 725 T CB -0.544 68.585 68.868 0.435 0.000 0.863 725 T HN 1.282 nan 8.240 nan 0.000 0.436 726 A N 1.578 124.507 122.820 0.182 0.000 1.908 726 A HA -0.171 4.149 4.320 0.000 0.000 0.218 726 A C 2.227 179.875 177.584 0.107 0.000 1.181 726 A CA 1.859 53.968 52.037 0.119 0.000 0.627 726 A CB -0.577 18.466 19.000 0.072 0.000 0.818 726 A HN 0.451 nan 8.150 nan 0.000 0.445 727 E N -1.514 118.754 120.200 0.113 0.000 2.106 727 E HA -0.177 4.173 4.350 0.000 0.000 0.192 727 E C 1.561 178.216 176.600 0.091 0.000 0.984 727 E CA 1.172 57.619 56.400 0.078 0.000 0.806 727 E CB -0.381 29.363 29.700 0.072 0.000 0.750 727 E HN 0.845 nan 8.360 nan 0.000 0.458 728 W N 0.883 122.184 121.300 0.001 0.000 2.363 728 W HA -0.082 4.578 4.660 0.000 0.000 0.296 728 W C 1.635 178.147 176.519 -0.012 0.000 1.212 728 W CA 1.352 58.693 57.345 -0.006 0.000 1.260 728 W CB -0.094 29.368 29.460 0.004 0.000 1.131 728 W HN -0.015 nan 8.180 nan 0.000 0.530 729 I N 0.496 121.158 120.570 0.153 0.000 2.252 729 I HA -0.283 3.887 4.170 0.000 0.000 0.245 729 I C 2.617 178.628 176.117 -0.177 0.000 1.102 729 I CA 1.365 62.653 61.300 -0.020 0.000 1.385 729 I CB -1.120 36.947 38.000 0.111 0.000 1.064 729 I HN 0.050 nan 8.210 nan 0.000 0.414 730 A N 0.904 123.660 122.820 -0.107 0.000 1.940 730 A HA -0.221 4.099 4.320 0.000 0.000 0.219 730 A C 2.351 179.821 177.584 -0.189 0.000 1.176 730 A CA 1.524 53.488 52.037 -0.122 0.000 0.631 730 A CB -0.628 18.332 19.000 -0.068 0.000 0.814 730 A HN 0.335 nan 8.150 nan 0.000 0.446 731 R N -1.240 119.110 120.500 -0.249 0.000 2.193 731 R HA -0.110 4.231 4.340 0.000 0.000 0.229 731 R C 1.772 177.848 176.300 -0.373 0.000 1.110 731 R CA 1.218 57.143 56.100 -0.293 0.000 0.988 731 R CB -0.587 29.509 30.300 -0.339 0.000 0.871 731 R HN 0.618 nan 8.270 nan 0.000 0.458 732 C N 0.233 119.251 119.300 -0.471 0.000 2.514 732 C HA 0.007 4.467 4.460 0.000 0.000 0.271 732 C C 1.339 176.135 174.990 -0.324 0.000 1.399 732 C CA -0.362 58.381 59.018 -0.458 0.000 1.765 732 C CB -0.728 26.683 27.740 -0.548 0.000 1.893 732 C HN 0.461 nan 8.230 nan 0.000 0.531 733 Q N 2.524 122.158 119.800 -0.276 0.000 2.332 733 Q HA 0.159 4.499 4.340 0.000 0.000 0.263 733 Q C 0.136 175.986 176.000 -0.249 0.000 0.979 733 Q CA 0.341 55.982 55.803 -0.270 0.000 0.885 733 Q CB 0.591 29.201 28.738 -0.212 0.000 1.218 733 Q HN 0.702 nan 8.270 nan 0.000 0.405 734 N N 3.265 121.775 118.700 -0.317 0.000 2.906 734 N HA 0.143 4.883 4.740 0.000 0.000 0.327 734 N C 0.780 176.140 175.510 -0.249 0.000 1.344 734 N CA -0.581 52.317 53.050 -0.253 0.000 0.823 734 N CB -0.436 37.865 38.487 -0.310 0.000 1.351 734 N HN 0.885 nan 8.380 nan 0.000 0.604 735 W N -0.433 120.805 121.300 -0.104 0.000 2.364 735 W HA -0.038 4.622 4.660 0.000 0.000 0.281 735 W C 0.530 177.017 176.519 -0.054 0.000 1.219 735 W CA 0.905 58.211 57.345 -0.065 0.000 1.220 735 W CB -0.956 28.480 29.460 -0.041 0.000 1.127 735 W HN 0.577 nan 8.180 nan 0.000 0.556 736 E N 0.236 119.881 120.200 -0.924 0.000 2.208 736 E HA 0.097 4.447 4.350 0.000 0.000 0.193 736 E C 2.144 178.513 176.600 -0.386 0.000 0.988 736 E CA 1.072 57.020 56.400 -0.754 0.000 0.828 736 E CB -0.391 28.686 29.700 -1.038 0.000 0.763 736 E HN 0.446 nan 8.360 nan 0.000 0.478 737 G N 0.599 109.131 108.800 -0.447 0.000 2.284 737 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 737 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 737 G C 0.591 175.174 174.900 -0.528 0.000 1.009 737 G CA -0.212 44.711 45.100 -0.295 0.000 0.625 737 G HN 0.531 nan 8.290 nan 0.000 0.501 738 G N -0.325 107.743 108.800 -1.221 0.000 2.535 738 G HA2 0.620 4.581 3.960 0.000 0.000 0.282 738 G HA3 0.620 4.581 3.960 0.000 0.000 0.282 738 G C -0.168 174.189 174.900 -0.904 0.000 1.350 738 G CA -0.408 43.700 45.100 -1.654 0.000 1.039 738 G HN 0.707 nan 8.290 nan 0.000 0.509 739 I N -0.018 120.131 120.570 -0.701 0.000 2.509 739 I HA 0.478 4.648 4.170 0.000 0.000 0.293 739 I C 0.751 176.722 176.117 -0.244 0.000 1.020 739 I CA -0.760 60.312 61.300 -0.381 0.000 1.088 739 I CB 2.158 40.018 38.000 -0.235 0.000 1.267 739 I HN 0.590 nan 8.210 nan 0.000 0.430 740 G N 2.451 111.110 108.800 -0.235 0.000 2.511 740 G HA2 0.435 4.395 3.960 0.000 0.000 0.316 740 G HA3 0.435 4.395 3.960 0.000 0.000 0.316 740 G C 0.883 175.577 174.900 -0.343 0.000 1.210 740 G CA -0.191 44.810 45.100 -0.166 0.000 0.969 740 G HN 0.794 nan 8.290 nan 0.000 0.492 741 G N -1.367 107.030 108.800 -0.672 0.000 2.442 741 G HA2 0.210 4.170 3.960 0.000 0.000 0.219 741 G HA3 0.210 4.170 3.960 0.000 0.000 0.219 741 G C 0.670 175.266 174.900 -0.507 0.000 1.141 741 G CA 1.926 46.228 45.100 -1.331 0.000 0.763 741 G HN 1.505 nan 8.290 nan 0.000 0.554 742 V N -4.892 114.828 119.914 -0.324 0.000 3.159 742 V HA 0.660 4.780 4.120 0.000 0.000 0.308 742 V C -3.036 172.890 176.094 -0.280 0.000 1.190 742 V CA -3.015 59.161 62.300 -0.208 0.000 1.037 742 V CB 1.708 33.524 31.823 -0.012 0.000 1.060 742 V HN -0.137 nan 8.190 nan 0.000 0.437 743 P HA 0.345 nan 4.420 nan 0.000 0.262 743 P C 0.974 178.188 177.300 -0.142 0.000 1.182 743 P CA 2.171 65.105 63.100 -0.278 0.000 0.761 743 P CB 0.596 32.132 31.700 -0.274 0.000 0.795 744 G N 2.007 110.741 108.800 -0.110 0.000 2.258 744 G HA2 -0.213 3.747 3.960 0.000 0.000 0.233 744 G HA3 -0.213 3.747 3.960 0.000 0.000 0.233 744 G C 0.255 175.152 174.900 -0.005 0.000 1.006 744 G CA -0.401 44.680 45.100 -0.032 0.000 0.620 744 G HN 0.399 nan 8.290 nan 0.000 0.511 745 M N 1.339 120.907 119.600 -0.054 0.000 2.247 745 M HA 0.391 4.871 4.480 0.000 0.000 0.326 745 M C 0.779 177.061 176.300 -0.031 0.000 1.134 745 M CA -0.753 54.532 55.300 -0.025 0.000 1.136 745 M CB 0.798 33.365 32.600 -0.055 0.000 1.454 745 M HN 0.397 nan 8.290 nan 0.000 0.467 746 E N 1.087 121.304 120.200 0.028 0.000 2.442 746 E HA 0.214 4.564 4.350 0.000 0.000 0.262 746 E C -0.673 175.898 176.600 -0.047 0.000 1.004 746 E CA -0.330 56.077 56.400 0.012 0.000 0.928 746 E CB 0.694 30.455 29.700 0.101 0.000 0.937 746 E HN 0.682 nan 8.360 nan 0.000 0.446 747 A N 5.117 127.811 122.820 -0.210 0.000 2.488 747 A HA 0.089 4.410 4.320 0.000 0.000 0.249 747 A C -0.504 177.094 177.584 0.024 0.000 1.083 747 A CA 0.087 51.918 52.037 -0.344 0.000 0.768 747 A CB 0.314 18.754 19.000 -0.933 0.000 1.017 747 A HN 0.699 nan 8.150 nan 0.000 0.496 748 H N 1.668 120.735 119.070 -0.004 0.000 2.771 748 H HA 0.380 4.936 4.556 0.000 0.000 0.361 748 H C 1.243 176.664 175.328 0.155 0.000 1.108 748 H CA 0.168 56.292 56.048 0.127 0.000 1.201 748 H CB 1.825 31.617 29.762 0.050 0.000 1.681 748 H HN 0.676 nan 8.280 nan 0.000 0.534 749 G N 2.440 111.276 108.800 0.060 0.000 2.469 749 G HA2 -0.294 3.666 3.960 0.000 0.000 0.220 749 G HA3 -0.294 3.666 3.960 0.000 0.000 0.220 749 G C 1.513 176.525 174.900 0.187 0.000 1.136 749 G CA 0.911 46.104 45.100 0.155 0.000 0.759 749 G HN 0.675 nan 8.290 nan 0.000 0.562 750 G N -0.112 108.779 108.800 0.151 0.000 2.421 750 G HA2 -0.193 3.767 3.960 0.000 0.000 0.216 750 G HA3 -0.193 3.767 3.960 0.000 0.000 0.216 750 G C 1.623 176.390 174.900 -0.222 0.000 1.171 750 G CA 0.906 45.808 45.100 -0.329 0.000 0.775 750 G HN 0.534 nan 8.290 nan 0.000 0.543 751 Y N 0.765 121.064 120.300 -0.002 0.000 2.314 751 Y HA -0.049 4.501 4.550 0.000 0.000 0.293 751 Y C 3.313 179.192 175.900 -0.035 0.000 1.129 751 Y CA 1.041 59.124 58.100 -0.028 0.000 1.201 751 Y CB -0.049 38.388 38.460 -0.038 0.000 0.999 751 Y HN 0.126 nan 8.280 nan 0.000 0.541 752 T N 0.404 115.032 114.554 0.123 0.000 2.777 752 T HA -0.200 4.150 4.350 0.000 0.000 0.266 752 T C 1.529 176.246 174.700 0.029 0.000 1.040 752 T CA 1.300 63.413 62.100 0.022 0.000 1.141 752 T CB -0.587 68.295 68.868 0.024 0.000 0.868 752 T HN 0.335 nan 8.240 nan 0.000 0.444 753 F N 1.534 121.484 119.950 -0.001 0.000 2.102 753 F HA -0.152 4.376 4.527 0.000 0.000 0.298 753 F C 2.436 178.151 175.800 -0.141 0.000 1.105 753 F CA 0.681 58.656 58.000 -0.041 0.000 1.239 753 F CB -0.849 38.210 39.000 0.098 0.000 0.991 753 F HN 0.142 nan 8.300 nan 0.000 0.474 754 C N 0.890 120.095 119.300 -0.158 0.000 2.413 754 C HA -0.133 4.327 4.460 0.000 0.000 0.276 754 C C 3.109 177.993 174.990 -0.177 0.000 1.236 754 C CA 1.386 60.233 59.018 -0.285 0.000 1.735 754 C CB -1.948 25.832 27.740 0.067 0.000 2.031 754 C HN 0.747 nan 8.230 nan 0.000 0.474 755 G N -0.149 108.605 108.800 -0.076 0.000 2.404 755 G HA2 -0.174 3.786 3.960 0.000 0.000 0.215 755 G HA3 -0.174 3.786 3.960 0.000 0.000 0.215 755 G C 1.500 176.333 174.900 -0.112 0.000 1.174 755 G CA 0.918 45.991 45.100 -0.044 0.000 0.780 755 G HN 0.445 nan 8.290 nan 0.000 0.537 756 L N 1.338 122.450 121.223 -0.185 0.000 2.056 756 L HA 0.253 4.593 4.340 0.000 0.000 0.207 756 L C 3.043 179.772 176.870 -0.235 0.000 1.078 756 L CA 2.002 56.734 54.840 -0.181 0.000 0.749 756 L CB -0.758 41.204 42.059 -0.162 0.000 0.901 756 L HN 0.232 nan 8.230 nan 0.000 0.433 757 A N -0.471 122.083 122.820 -0.445 0.000 1.902 757 A HA -0.108 4.212 4.320 0.000 0.000 0.217 757 A C 2.443 179.951 177.584 -0.126 0.000 1.181 757 A CA 1.790 53.585 52.037 -0.403 0.000 0.623 757 A CB -1.113 17.363 19.000 -0.874 0.000 0.818 757 A HN 0.556 nan 8.150 nan 0.000 0.443 758 A N -0.361 122.433 122.820 -0.043 0.000 1.898 758 A HA -0.010 4.310 4.320 0.000 0.000 0.216 758 A C 2.152 179.686 177.584 -0.084 0.000 1.181 758 A CA 1.424 53.458 52.037 -0.004 0.000 0.620 758 A CB -0.560 18.473 19.000 0.055 0.000 0.819 758 A HN 0.465 nan 8.150 nan 0.000 0.442 759 L N -0.532 120.651 121.223 -0.067 0.000 2.141 759 L HA -0.140 4.200 4.340 0.000 0.000 0.209 759 L C 2.479 179.317 176.870 -0.054 0.000 1.094 759 L CA 0.796 55.603 54.840 -0.055 0.000 0.763 759 L CB -0.399 41.636 42.059 -0.040 0.000 0.908 759 L HN 0.251 nan 8.230 nan 0.000 0.437 760 V N 0.128 120.006 119.914 -0.060 0.000 2.358 760 V HA -0.284 3.836 4.120 0.000 0.000 0.246 760 V C 2.286 178.365 176.094 -0.025 0.000 1.047 760 V CA 1.710 63.991 62.300 -0.032 0.000 1.035 760 V CB -0.245 31.559 31.823 -0.031 0.000 0.658 760 V HN 0.318 nan 8.190 nan 0.000 0.452 761 I N -0.328 120.206 120.570 -0.060 0.000 2.226 761 I HA -0.239 3.931 4.170 0.000 0.000 0.245 761 I C 2.049 178.121 176.117 -0.076 0.000 1.100 761 I CA 1.599 62.864 61.300 -0.059 0.000 1.374 761 I CB -0.214 37.716 38.000 -0.117 0.000 1.057 761 I HN 0.257 nan 8.210 nan 0.000 0.413 762 L N 0.276 121.427 121.223 -0.120 0.000 2.554 762 L HA 0.003 4.343 4.340 0.000 0.000 0.226 762 L C 0.566 177.418 176.870 -0.030 0.000 1.137 762 L CA 0.305 55.082 54.840 -0.104 0.000 0.863 762 L CB -0.371 41.608 42.059 -0.133 0.000 0.985 762 L HN 0.225 nan 8.230 nan 0.000 0.451 763 K N 0.674 121.065 120.400 -0.016 0.000 3.125 763 K HA -0.166 4.154 4.320 0.000 0.000 0.268 763 K C 0.096 176.699 176.600 0.005 0.000 1.078 763 K CA 0.218 56.508 56.287 0.006 0.000 0.775 763 K CB -0.876 31.636 32.500 0.019 0.000 1.253 763 K HN 0.229 nan 8.250 nan 0.000 0.486 764 R N -0.027 120.472 120.500 -0.003 0.000 2.659 764 R HA 0.068 4.408 4.340 0.000 0.000 0.418 764 R C 0.539 176.837 176.300 -0.003 0.000 1.076 764 R CA -0.025 56.076 56.100 0.002 0.000 1.093 764 R CB 0.435 30.740 30.300 0.008 0.000 1.400 764 R HN 0.269 nan 8.270 nan 0.000 0.583 765 E N 0.774 120.971 120.200 -0.005 0.000 2.171 765 E HA -0.127 4.223 4.350 0.000 0.000 0.197 765 E C 1.499 178.095 176.600 -0.006 0.000 0.997 765 E CA 1.083 57.478 56.400 -0.009 0.000 0.810 765 E CB -0.042 29.657 29.700 -0.001 0.000 0.738 765 E HN 0.131 nan 8.360 nan 0.000 0.467 766 R N 0.332 120.832 120.500 -0.000 0.000 2.293 766 R HA 0.008 4.348 4.340 0.000 0.000 0.219 766 R C 1.677 177.975 176.300 -0.005 0.000 1.091 766 R CA 0.762 56.862 56.100 -0.000 0.000 1.004 766 R CB -0.125 30.177 30.300 0.003 0.000 0.865 766 R HN 0.085 nan 8.270 nan 0.000 0.469 767 S N 0.514 116.210 115.700 -0.007 0.000 2.481 767 S HA 0.052 4.522 4.470 0.000 0.000 0.231 767 S C 0.900 175.486 174.600 -0.024 0.000 0.996 767 S CA 0.537 58.731 58.200 -0.011 0.000 0.942 767 S CB 0.092 63.290 63.200 -0.005 0.000 0.768 767 S HN 0.159 nan 8.310 nan 0.000 0.520 768 L N 1.519 122.725 121.223 -0.028 0.000 2.358 768 L HA 0.416 4.757 4.340 0.000 0.000 0.268 768 L C 0.404 177.256 176.870 -0.029 0.000 1.032 768 L CA -0.867 53.948 54.840 -0.041 0.000 0.805 768 L CB 0.395 42.423 42.059 -0.051 0.000 1.253 768 L HN -0.010 nan 8.230 nan 0.000 0.452 769 N N 1.519 120.198 118.700 -0.035 0.000 2.482 769 N HA 0.160 4.901 4.740 0.000 0.000 0.242 769 N C 0.590 176.094 175.510 -0.010 0.000 1.100 769 N CA 0.039 53.078 53.050 -0.018 0.000 0.946 769 N CB 0.701 39.175 38.487 -0.021 0.000 1.227 769 N HN 0.572 nan 8.380 nan 0.000 0.508 770 L N 2.450 123.675 121.223 0.004 0.000 2.201 770 L HA -0.108 4.232 4.340 0.000 0.000 0.212 770 L C 2.416 179.309 176.870 0.039 0.000 1.105 770 L CA 0.827 55.679 54.840 0.020 0.000 0.775 770 L CB -0.213 41.861 42.059 0.025 0.000 0.913 770 L HN 0.537 nan 8.230 nan 0.000 0.440 771 K N 0.822 121.244 120.400 0.035 0.000 2.001 771 K HA -0.185 4.135 4.320 0.000 0.000 0.208 771 K C 2.298 178.933 176.600 0.059 0.000 1.048 771 K CA 1.972 58.288 56.287 0.048 0.000 0.932 771 K CB -0.065 32.458 32.500 0.039 0.000 0.715 771 K HN 0.352 nan 8.250 nan 0.000 0.437 772 S N 1.010 116.736 115.700 0.044 0.000 2.428 772 S HA -0.114 4.356 4.470 0.000 0.000 0.230 772 S C 2.131 176.778 174.600 0.079 0.000 1.014 772 S CA 0.655 58.886 58.200 0.053 0.000 0.957 772 S CB -0.393 62.817 63.200 0.016 0.000 0.784 772 S HN 0.397 nan 8.310 nan 0.000 0.499 773 L N 0.195 121.451 121.223 0.056 0.000 2.072 773 L HA 0.065 4.405 4.340 0.000 0.000 0.205 773 L C 2.461 179.447 176.870 0.194 0.000 1.079 773 L CA 1.087 55.983 54.840 0.092 0.000 0.752 773 L CB -0.344 41.732 42.059 0.029 0.000 0.906 773 L HN 0.360 nan 8.230 nan 0.000 0.436 774 L N -0.040 121.267 121.223 0.140 0.000 2.012 774 L HA -0.294 4.047 4.340 0.000 0.000 0.210 774 L C 2.492 179.455 176.870 0.156 0.000 1.073 774 L CA 2.097 57.026 54.840 0.147 0.000 0.748 774 L CB -0.691 41.440 42.059 0.120 0.000 0.891 774 L HN 0.378 nan 8.230 nan 0.000 0.431 775 Q N -1.869 118.016 119.800 0.142 0.000 2.124 775 Q HA -0.271 4.069 4.340 0.000 0.000 0.202 775 Q C 2.067 178.153 176.000 0.144 0.000 0.977 775 Q CA 2.137 58.015 55.803 0.125 0.000 0.850 775 Q CB -0.477 28.325 28.738 0.107 0.000 0.901 775 Q HN 0.671 nan 8.270 nan 0.000 0.429 776 W N -0.398 120.899 121.300 -0.005 0.000 2.378 776 W HA -0.195 4.465 4.660 0.000 0.000 0.313 776 W C 1.997 178.511 176.519 -0.008 0.000 1.197 776 W CA 1.593 58.919 57.345 -0.033 0.000 1.304 776 W CB -0.714 28.697 29.460 -0.082 0.000 1.148 776 W HN 0.042 nan 8.180 nan 0.000 0.494 777 V N 1.509 121.489 119.914 0.110 0.000 2.343 777 V HA -0.300 3.820 4.120 0.000 0.000 0.247 777 V C 2.423 178.476 176.094 -0.068 0.000 1.051 777 V CA 3.380 65.588 62.300 -0.154 0.000 1.036 777 V CB -1.201 30.690 31.823 0.114 0.000 0.654 777 V HN 0.485 nan 8.190 nan 0.000 0.451 778 T N -2.933 111.649 114.554 0.047 0.000 2.881 778 T HA -0.145 4.205 4.350 0.000 0.000 0.270 778 T C 1.874 176.556 174.700 -0.030 0.000 1.068 778 T CA 1.745 63.902 62.100 0.096 0.000 1.131 778 T CB -0.569 68.372 68.868 0.121 0.000 0.871 778 T HN 0.472 nan 8.240 nan 0.000 0.479 779 S N 0.982 116.609 115.700 -0.122 0.000 2.481 779 S HA 0.090 4.560 4.470 0.000 0.000 0.231 779 S C 1.977 176.414 174.600 -0.272 0.000 0.996 779 S CA 0.087 58.184 58.200 -0.172 0.000 0.942 779 S CB -0.169 62.934 63.200 -0.162 0.000 0.768 779 S HN 0.414 nan 8.310 nan 0.000 0.520 780 R N 1.360 121.645 120.500 -0.359 0.000 2.307 780 R HA 0.126 4.466 4.340 0.000 0.000 0.199 780 R C 0.905 177.005 176.300 -0.333 0.000 1.000 780 R CA 0.117 56.003 56.100 -0.358 0.000 1.023 780 R CB -0.410 29.611 30.300 -0.465 0.000 0.908 780 R HN 0.519 nan 8.270 nan 0.000 0.473 781 Q N 1.187 120.652 119.800 -0.558 0.000 2.288 781 Q HA 0.130 4.470 4.340 0.000 0.000 0.258 781 Q C -0.485 175.234 176.000 -0.469 0.000 0.957 781 Q CA -0.273 54.910 55.803 -1.034 0.000 0.919 781 Q CB 0.740 28.803 28.738 -1.126 0.000 1.185 781 Q HN -0.138 nan 8.270 nan 0.000 0.408 782 M N 4.594 123.965 119.600 -0.382 0.000 2.227 782 M HA 0.073 4.554 4.480 0.000 0.000 0.349 782 M C 1.146 177.393 176.300 -0.088 0.000 1.443 782 M CA 0.464 55.655 55.300 -0.181 0.000 1.110 782 M CB 0.367 32.882 32.600 -0.142 0.000 1.773 782 M HN 0.734 nan 8.290 nan 0.000 0.463 783 R N 1.595 122.078 120.500 -0.029 0.000 2.105 783 R HA -0.182 4.158 4.340 0.000 0.000 0.239 783 R C 1.442 177.794 176.300 0.087 0.000 1.135 783 R CA 1.678 57.795 56.100 0.028 0.000 0.967 783 R CB -0.479 29.828 30.300 0.013 0.000 0.861 783 R HN 0.546 nan 8.270 nan 0.000 0.442 784 F N 1.806 121.742 119.950 -0.022 0.000 2.164 784 F HA 0.131 4.658 4.527 0.000 0.000 0.287 784 F C 1.803 177.805 175.800 0.337 0.000 1.086 784 F CA 1.109 59.138 58.000 0.049 0.000 1.249 784 F CB 0.120 39.116 39.000 -0.006 0.000 1.059 784 F HN -0.102 nan 8.300 nan 0.000 0.490 785 E N 0.103 120.409 120.200 0.175 0.000 2.150 785 E HA 0.072 4.422 4.350 0.000 0.000 0.193 785 E C 1.874 178.549 176.600 0.124 0.000 0.985 785 E CA 1.312 57.769 56.400 0.094 0.000 0.814 785 E CB -0.596 29.048 29.700 -0.092 0.000 0.752 785 E HN 0.594 nan 8.360 nan 0.000 0.466 786 G N -0.349 108.454 108.800 0.005 0.000 2.268 786 G HA2 -0.242 3.718 3.960 0.000 0.000 0.240 786 G HA3 -0.242 3.718 3.960 0.000 0.000 0.240 786 G C 0.665 175.501 174.900 -0.108 0.000 1.010 786 G CA 0.027 45.132 45.100 0.008 0.000 0.618 786 G HN 0.637 nan 8.290 nan 0.000 0.516 787 G N -0.659 107.926 108.800 -0.358 0.000 2.525 787 G HA2 0.619 4.579 3.960 0.000 0.000 0.287 787 G HA3 0.619 4.579 3.960 0.000 0.000 0.287 787 G C -0.544 174.174 174.900 -0.303 0.000 1.350 787 G CA -0.743 44.153 45.100 -0.341 0.000 1.039 787 G HN 0.305 nan 8.290 nan 0.000 0.513 788 F N -0.473 119.402 119.950 -0.124 0.000 2.492 788 F HA 0.409 4.936 4.527 0.000 0.000 0.327 788 F C 0.708 176.503 175.800 -0.008 0.000 1.079 788 F CA -0.688 57.259 58.000 -0.088 0.000 0.967 788 F CB 2.160 41.113 39.000 -0.078 0.000 1.169 788 F HN 0.535 nan 8.300 nan 0.000 0.472 789 Q N 0.599 120.429 119.800 0.050 0.000 2.180 789 Q HA 0.602 4.942 4.340 0.000 0.000 0.241 789 Q C 0.461 176.223 176.000 -0.397 0.000 0.970 789 Q CA -0.565 55.221 55.803 -0.028 0.000 0.919 789 Q CB 1.626 30.304 28.738 -0.100 0.000 1.222 789 Q HN 0.818 nan 8.270 nan 0.000 0.482 790 G N 0.652 109.019 108.800 -0.722 0.000 2.603 790 G HA2 0.066 4.026 3.960 0.000 0.000 0.214 790 G HA3 0.066 4.026 3.960 0.000 0.000 0.214 790 G C 0.103 174.407 174.900 -0.994 0.000 1.140 790 G CA 0.024 44.243 45.100 -1.468 0.000 0.800 790 G HN 0.670 nan 8.290 nan 0.000 0.533 791 R N -2.061 118.150 120.500 -0.482 0.000 2.692 791 R HA 0.422 4.762 4.340 0.000 0.000 0.269 791 R C -1.142 175.094 176.300 -0.108 0.000 1.030 791 R CA -0.938 55.047 56.100 -0.193 0.000 0.882 791 R CB 0.083 30.346 30.300 -0.061 0.000 1.250 791 R HN -0.036 nan 8.270 nan 0.000 0.465 792 C N 2.529 121.811 119.300 -0.029 0.000 2.563 792 C HA 0.024 4.484 4.460 0.000 0.000 0.411 792 C C 0.783 175.777 174.990 0.006 0.000 1.386 792 C CA 1.217 60.219 59.018 -0.026 0.000 1.703 792 C CB -1.283 26.483 27.740 0.042 0.000 2.596 792 C HN 1.001 nan 8.230 nan 0.000 0.605 793 N N 2.275 120.970 118.700 -0.009 0.000 2.741 793 N HA -0.137 4.603 4.740 0.000 0.000 0.251 793 N C -0.313 175.206 175.510 0.015 0.000 1.112 793 N CA 1.378 54.434 53.050 0.009 0.000 0.750 793 N CB -0.615 37.893 38.487 0.035 0.000 1.119 793 N HN 0.791 nan 8.380 nan 0.000 0.561 794 K N -0.188 120.214 120.400 0.003 0.000 2.307 794 K HA 0.566 4.886 4.320 0.000 0.000 0.239 794 K C 0.554 177.169 176.600 0.024 0.000 1.083 794 K CA -0.779 55.524 56.287 0.027 0.000 0.913 794 K CB 1.034 33.561 32.500 0.044 0.000 1.322 794 K HN -0.067 nan 8.250 nan 0.000 0.514 795 L N 1.010 122.270 121.223 0.062 0.000 2.379 795 L HA 0.311 4.651 4.340 0.000 0.000 0.269 795 L C 0.534 177.465 176.870 0.102 0.000 1.084 795 L CA -0.904 53.977 54.840 0.067 0.000 0.802 795 L CB 1.194 43.299 42.059 0.076 0.000 1.175 795 L HN 0.256 nan 8.230 nan 0.000 0.448 796 V N 1.436 121.381 119.914 0.051 0.000 2.999 796 V HA 0.075 4.195 4.120 0.000 0.000 0.307 796 V C -0.474 175.703 176.094 0.139 0.000 1.084 796 V CA 0.628 62.942 62.300 0.023 0.000 1.155 796 V CB 1.254 32.965 31.823 -0.188 0.000 0.975 796 V HN 0.896 nan 8.190 nan 0.000 0.490 797 D N 2.942 123.469 120.400 0.211 0.000 2.871 797 D HA 0.335 4.975 4.640 0.000 0.000 0.209 797 D C 0.704 177.145 176.300 0.235 0.000 1.292 797 D CA 0.188 54.311 54.000 0.204 0.000 0.869 797 D CB 1.658 42.516 40.800 0.097 0.000 1.663 797 D HN 0.591 nan 8.370 nan 0.000 0.557 798 G N 1.765 110.752 108.800 0.312 0.000 2.469 798 G HA2 -0.298 3.662 3.960 0.000 0.000 0.220 798 G HA3 -0.298 3.662 3.960 0.000 0.000 0.220 798 G C 1.775 176.787 174.900 0.186 0.000 1.136 798 G CA 1.429 46.717 45.100 0.313 0.000 0.759 798 G HN 0.769 nan 8.290 nan 0.000 0.562 799 C N -1.380 117.997 119.300 0.129 0.000 2.432 799 C HA 0.118 4.578 4.460 0.000 0.000 0.282 799 C C 2.334 177.292 174.990 -0.054 0.000 1.388 799 C CA 0.234 59.213 59.018 -0.064 0.000 1.777 799 C CB -1.647 25.970 27.740 -0.205 0.000 1.882 799 C HN 0.479 nan 8.230 nan 0.000 0.520 800 Y N 1.874 122.308 120.300 0.223 0.000 2.632 800 Y HA -0.026 4.524 4.550 0.000 0.000 0.301 800 Y C 2.678 178.536 175.900 -0.071 0.000 1.172 800 Y CA 0.446 58.632 58.100 0.142 0.000 1.328 800 Y CB -0.252 38.301 38.460 0.156 0.000 1.016 800 Y HN 0.332 nan 8.280 nan 0.000 0.529 801 S N 0.006 115.769 115.700 0.104 0.000 2.419 801 S HA -0.174 4.296 4.470 0.000 0.000 0.233 801 S C 1.475 175.980 174.600 -0.159 0.000 1.016 801 S CA 1.234 59.443 58.200 0.016 0.000 0.974 801 S CB -0.276 63.007 63.200 0.137 0.000 0.786 801 S HN 0.562 nan 8.310 nan 0.000 0.492 802 F N 0.146 119.932 119.950 -0.273 0.000 2.298 802 F HA 0.222 4.749 4.527 0.000 0.000 0.282 802 F C 1.551 177.082 175.800 -0.447 0.000 1.045 802 F CA -0.032 57.729 58.000 -0.398 0.000 1.280 802 F CB -0.664 38.058 39.000 -0.463 0.000 1.114 802 F HN 0.135 nan 8.300 nan 0.000 0.546 803 W N 1.176 122.250 121.300 -0.378 0.000 2.321 803 W HA -0.228 4.432 4.660 0.000 0.000 0.306 803 W C 2.382 178.681 176.519 -0.366 0.000 1.217 803 W CA 1.199 58.298 57.345 -0.410 0.000 1.257 803 W CB -0.423 29.036 29.460 -0.001 0.000 1.145 803 W HN 0.105 nan 8.180 nan 0.000 0.509 804 Q N -0.346 119.321 119.800 -0.222 0.000 2.063 804 Q HA 0.046 4.386 4.340 0.000 0.000 0.194 804 Q C 2.480 177.983 176.000 -0.828 0.000 0.974 804 Q CA 1.347 56.863 55.803 -0.478 0.000 0.827 804 Q CB -1.309 27.052 28.738 -0.628 0.000 0.902 804 Q HN 0.263 nan 8.270 nan 0.000 0.462 805 A N 1.218 123.244 122.820 -1.323 0.000 2.024 805 A HA -0.103 4.217 4.320 0.000 0.000 0.220 805 A C 2.199 179.320 177.584 -0.771 0.000 1.164 805 A CA 1.744 52.971 52.037 -1.350 0.000 0.643 805 A CB -1.023 17.119 19.000 -1.429 0.000 0.806 805 A HN 0.457 nan 8.150 nan 0.000 0.451 806 G N -0.518 107.861 108.800 -0.702 0.000 2.509 806 G HA2 -0.062 3.898 3.960 0.000 0.000 0.218 806 G HA3 -0.062 3.898 3.960 0.000 0.000 0.218 806 G C 1.378 176.101 174.900 -0.295 0.000 1.124 806 G CA 0.819 45.563 45.100 -0.594 0.000 0.776 806 G HN 0.475 nan 8.290 nan 0.000 0.547 807 L N -0.411 120.677 121.223 -0.226 0.000 2.291 807 L HA 0.101 4.441 4.340 0.000 0.000 0.214 807 L C 2.654 179.478 176.870 -0.076 0.000 1.120 807 L CA 0.154 54.942 54.840 -0.087 0.000 0.799 807 L CB -0.175 41.873 42.059 -0.017 0.000 0.925 807 L HN 0.185 nan 8.230 nan 0.000 0.446 808 L N -0.335 120.820 121.223 -0.112 0.000 2.056 808 L HA -0.113 4.227 4.340 0.000 0.000 0.207 808 L C -0.289 176.532 176.870 -0.081 0.000 1.078 808 L CA 1.360 56.220 54.840 0.033 0.000 0.749 808 L CB -1.437 40.789 42.059 0.278 0.000 0.901 808 L HN 0.174 nan 8.230 nan 0.000 0.433 809 P HA -0.129 nan 4.420 nan 0.000 0.219 809 P C 1.862 179.077 177.300 -0.142 0.000 1.150 809 P CA 1.199 63.853 63.100 -0.742 0.000 0.814 809 P CB 0.111 31.167 31.700 -1.073 0.000 0.787 810 L N -1.530 119.629 121.223 -0.106 0.000 2.056 810 L HA -0.143 4.197 4.340 0.000 0.000 0.207 810 L C 2.394 179.293 176.870 0.048 0.000 1.078 810 L CA 1.340 56.167 54.840 -0.021 0.000 0.749 810 L CB -0.982 41.041 42.059 -0.060 0.000 0.901 810 L HN -0.027 nan 8.230 nan 0.000 0.433 811 L N -1.064 120.201 121.223 0.069 0.000 2.056 811 L HA -0.247 4.093 4.340 0.000 0.000 0.207 811 L C 2.632 179.604 176.870 0.171 0.000 1.078 811 L CA 1.171 56.076 54.840 0.109 0.000 0.749 811 L CB -0.643 41.489 42.059 0.122 0.000 0.901 811 L HN 0.295 nan 8.230 nan 0.000 0.433 812 H N 0.178 119.354 119.070 0.176 0.000 2.319 812 H HA -0.247 4.309 4.556 0.000 0.000 0.299 812 H C 2.390 177.854 175.328 0.228 0.000 1.092 812 H CA 2.160 58.371 56.048 0.272 0.000 1.302 812 H CB 0.126 30.177 29.762 0.483 0.000 1.373 812 H HN 0.029 nan 8.280 nan 0.000 0.497 813 R N 0.638 121.320 120.500 0.303 0.000 2.081 813 R HA -0.054 4.286 4.340 0.000 0.000 0.235 813 R C 2.331 178.729 176.300 0.163 0.000 1.131 813 R CA 1.634 57.871 56.100 0.229 0.000 0.960 813 R CB -0.921 29.477 30.300 0.164 0.000 0.856 813 R HN 0.398 nan 8.270 nan 0.000 0.436 814 A N 0.547 123.434 122.820 0.112 0.000 1.877 814 A HA -0.078 4.242 4.320 0.000 0.000 0.216 814 A C 2.282 179.902 177.584 0.060 0.000 1.186 814 A CA 1.580 53.661 52.037 0.072 0.000 0.620 814 A CB -0.617 18.413 19.000 0.050 0.000 0.822 814 A HN 0.368 nan 8.150 nan 0.000 0.443 815 L N -1.744 119.513 121.223 0.057 0.000 2.093 815 L HA -0.158 4.182 4.340 0.000 0.000 0.208 815 L C 2.634 179.522 176.870 0.030 0.000 1.085 815 L CA 1.612 56.470 54.840 0.030 0.000 0.755 815 L CB -0.683 41.386 42.059 0.015 0.000 0.904 815 L HN 0.610 nan 8.230 nan 0.000 0.435 816 H N 0.494 119.526 119.070 -0.064 0.000 2.353 816 H HA -0.141 4.416 4.556 0.000 0.000 0.300 816 H C 2.136 177.467 175.328 0.005 0.000 1.090 816 H CA 1.504 57.527 56.048 -0.042 0.000 1.327 816 H CB 0.080 29.834 29.762 -0.014 0.000 1.383 816 H HN 0.265 nan 8.280 nan 0.000 0.508 817 A N 0.094 122.914 122.820 0.001 0.000 2.019 817 A HA -0.180 4.140 4.320 0.000 0.000 0.219 817 A C 2.106 179.648 177.584 -0.069 0.000 1.164 817 A CA 1.700 53.710 52.037 -0.046 0.000 0.644 817 A CB -0.360 18.657 19.000 0.028 0.000 0.805 817 A HN 0.660 nan 8.150 nan 0.000 0.449 818 Q N -1.640 118.131 119.800 -0.048 0.000 2.403 818 Q HA 0.271 4.611 4.340 0.000 0.000 0.203 818 Q C 0.918 176.885 176.000 -0.055 0.000 0.932 818 Q CA 0.303 56.084 55.803 -0.038 0.000 0.945 818 Q CB 0.140 28.870 28.738 -0.013 0.000 1.045 818 Q HN 0.848 nan 8.270 nan 0.000 0.511 819 G N 2.020 110.757 108.800 -0.105 0.000 2.198 819 G HA2 -0.240 3.720 3.960 0.000 0.000 0.257 819 G HA3 -0.240 3.720 3.960 0.000 0.000 0.257 819 G C -0.418 174.456 174.900 -0.043 0.000 1.042 819 G CA 0.169 45.210 45.100 -0.097 0.000 0.791 819 G HN 0.372 nan 8.290 nan 0.000 0.502 820 D N 0.760 121.145 120.400 -0.025 0.000 2.389 820 D HA 0.206 4.846 4.640 0.000 0.000 0.263 820 D C 0.126 176.438 176.300 0.021 0.000 1.255 820 D CA -0.893 53.109 54.000 0.003 0.000 0.914 820 D CB 1.111 41.916 40.800 0.009 0.000 1.116 820 D HN 0.271 nan 8.370 nan 0.000 0.502 821 P HA 0.033 nan 4.420 nan 0.000 0.241 821 P C 0.513 177.833 177.300 0.033 0.000 1.191 821 P CA 0.190 63.306 63.100 0.027 0.000 0.771 821 P CB 0.446 32.156 31.700 0.017 0.000 0.929 822 A N -0.410 122.430 122.820 0.032 0.000 2.303 822 A HA 0.217 4.538 4.320 0.000 0.000 0.217 822 A C 1.158 178.769 177.584 0.045 0.000 1.205 822 A CA -0.249 51.808 52.037 0.032 0.000 0.875 822 A CB -0.573 18.444 19.000 0.028 0.000 0.910 822 A HN 0.109 nan 8.150 nan 0.000 0.501 823 L N 1.031 122.286 121.223 0.054 0.000 2.506 823 L HA 0.030 4.371 4.340 0.000 0.000 0.281 823 L C 1.156 178.098 176.870 0.120 0.000 1.228 823 L CA -0.109 54.778 54.840 0.078 0.000 0.850 823 L CB 0.629 42.685 42.059 -0.005 0.000 1.110 823 L HN 0.338 nan 8.230 nan 0.000 0.496 824 S N 2.622 118.420 115.700 0.164 0.000 2.585 824 S HA 0.249 4.719 4.470 0.000 0.000 0.273 824 S C 0.612 175.237 174.600 0.042 0.000 1.339 824 S CA -0.382 57.836 58.200 0.031 0.000 1.028 824 S CB 0.670 63.820 63.200 -0.082 0.000 0.906 824 S HN 0.616 nan 8.310 nan 0.000 0.528 825 M N 2.866 122.380 119.600 -0.143 0.000 2.405 825 M HA 0.149 4.629 4.480 0.000 0.000 0.292 825 M C 0.798 176.819 176.300 -0.465 0.000 1.111 825 M CA -0.134 55.114 55.300 -0.087 0.000 0.979 825 M CB 0.479 33.074 32.600 -0.010 0.000 1.426 825 M HN 0.803 nan 8.290 nan 0.000 0.509 826 S N -2.366 112.678 115.700 -1.093 0.000 2.617 826 S HA 0.227 4.697 4.470 0.000 0.000 0.278 826 S C 0.061 173.504 174.600 -1.928 0.000 1.082 826 S CA -0.418 56.945 58.200 -1.395 0.000 1.228 826 S CB 0.399 63.001 63.200 -0.996 0.000 1.130 826 S HN 0.435 nan 8.310 nan 0.000 0.621 827 H N -0.905 117.238 119.070 -1.545 0.000 2.895 827 H HA 0.583 5.139 4.556 0.000 0.000 0.373 827 H C -1.362 173.597 175.328 -0.615 0.000 1.174 827 H CA -0.748 54.720 56.048 -0.966 0.000 1.144 827 H CB 0.796 30.243 29.762 -0.525 0.000 1.793 827 H HN 0.306 nan 8.280 nan 0.000 0.551 828 W N 1.923 123.195 121.300 -0.047 0.000 2.129 828 W HA 0.241 4.901 4.660 0.000 0.000 0.349 828 W C 0.489 177.001 176.519 -0.012 0.000 1.279 828 W CA -0.696 56.688 57.345 0.065 0.000 1.306 828 W CB 0.590 30.074 29.460 0.040 0.000 1.140 828 W HN 0.341 nan 8.180 nan 0.000 0.613 829 M N 3.628 123.498 119.600 0.450 0.000 3.607 829 M HA 0.179 4.659 4.480 0.000 0.000 0.206 829 M C -1.159 175.367 176.300 0.376 0.000 1.314 829 M CA 0.172 55.653 55.300 0.301 0.000 1.526 829 M CB -0.989 31.784 32.600 0.288 0.000 1.101 829 M HN 0.314 nan 8.290 nan 0.000 0.539 830 F N -3.582 116.505 119.950 0.227 0.000 2.711 830 F HA 0.427 4.954 4.527 0.000 0.000 0.313 830 F C -0.685 175.207 175.800 0.153 0.000 1.141 830 F CA -1.347 56.786 58.000 0.223 0.000 0.941 830 F CB 0.862 40.096 39.000 0.390 0.000 1.349 830 F HN -0.049 nan 8.300 nan 0.000 0.464 831 H N 2.658 121.855 119.070 0.213 0.000 3.109 831 H HA 0.213 4.770 4.556 0.000 0.000 0.266 831 H C 0.601 175.953 175.328 0.040 0.000 1.334 831 H CA 0.726 56.750 56.048 -0.040 0.000 1.456 831 H CB 1.028 30.699 29.762 -0.153 0.000 1.587 831 H HN 0.851 nan 8.280 nan 0.000 0.500 832 Q N 2.506 122.184 119.800 -0.202 0.000 2.096 832 Q HA -0.210 4.130 4.340 0.000 0.000 0.204 832 Q C 2.096 178.189 176.000 0.155 0.000 0.982 832 Q CA 1.531 57.311 55.803 -0.039 0.000 0.850 832 Q CB 0.206 28.842 28.738 -0.169 0.000 0.901 832 Q HN 0.702 nan 8.270 nan 0.000 0.422 833 Q N -0.040 119.819 119.800 0.099 0.000 2.020 833 Q HA -0.190 4.151 4.340 0.000 0.000 0.202 833 Q C 2.088 178.181 176.000 0.155 0.000 0.982 833 Q CA 1.362 57.237 55.803 0.121 0.000 0.838 833 Q CB -0.167 28.624 28.738 0.087 0.000 0.899 833 Q HN 0.403 nan 8.270 nan 0.000 0.423 834 A N 0.788 123.723 122.820 0.192 0.000 1.908 834 A HA -0.212 4.108 4.320 0.000 0.000 0.218 834 A C 1.982 179.659 177.584 0.154 0.000 1.181 834 A CA 1.485 53.515 52.037 -0.012 0.000 0.627 834 A CB -0.816 17.983 19.000 -0.336 0.000 0.818 834 A HN 0.485 nan 8.150 nan 0.000 0.445 835 L N -0.159 121.230 121.223 0.277 0.000 2.083 835 L HA -0.189 4.151 4.340 0.000 0.000 0.209 835 L C 2.441 179.485 176.870 0.289 0.000 1.083 835 L CA 2.264 57.315 54.840 0.351 0.000 0.752 835 L CB -0.720 41.654 42.059 0.526 0.000 0.899 835 L HN 0.516 nan 8.230 nan 0.000 0.433 836 Q N -0.736 119.196 119.800 0.219 0.000 2.119 836 Q HA -0.211 4.129 4.340 0.000 0.000 0.201 836 Q C 2.069 178.115 176.000 0.077 0.000 0.972 836 Q CA 1.773 57.655 55.803 0.133 0.000 0.847 836 Q CB -0.116 28.675 28.738 0.089 0.000 0.903 836 Q HN 0.643 nan 8.270 nan 0.000 0.433 837 E N -0.128 120.113 120.200 0.067 0.000 2.072 837 E HA -0.209 4.141 4.350 0.000 0.000 0.191 837 E C 1.692 178.340 176.600 0.079 0.000 0.985 837 E CA 0.984 57.380 56.400 -0.006 0.000 0.801 837 E CB -0.129 29.513 29.700 -0.096 0.000 0.750 837 E HN 0.326 nan 8.360 nan 0.000 0.452 838 Y N 1.446 121.801 120.300 0.091 0.000 2.145 838 Y HA -0.208 4.343 4.550 0.000 0.000 0.286 838 Y C 1.910 177.859 175.900 0.081 0.000 1.145 838 Y CA 1.420 59.605 58.100 0.142 0.000 1.148 838 Y CB -0.209 38.336 38.460 0.141 0.000 0.981 838 Y HN -0.059 nan 8.280 nan 0.000 0.507 839 I N -0.352 120.203 120.570 -0.025 0.000 2.142 839 I HA -0.349 3.821 4.170 0.000 0.000 0.240 839 I C 2.380 178.414 176.117 -0.138 0.000 1.078 839 I CA 1.592 62.825 61.300 -0.112 0.000 1.343 839 I CB -0.593 37.432 38.000 0.042 0.000 1.046 839 I HN 0.227 nan 8.210 nan 0.000 0.405 840 L N -0.368 120.807 121.223 -0.080 0.000 2.046 840 L HA -0.217 4.124 4.340 0.000 0.000 0.208 840 L C 2.569 179.346 176.870 -0.156 0.000 1.077 840 L CA 1.501 56.290 54.840 -0.084 0.000 0.747 840 L CB -0.365 41.652 42.059 -0.070 0.000 0.896 840 L HN 0.306 nan 8.230 nan 0.000 0.432 841 M N -1.950 117.499 119.600 -0.251 0.000 2.394 841 M HA -0.076 4.405 4.480 0.000 0.000 0.266 841 M C 1.838 178.054 176.300 -0.140 0.000 1.098 841 M CA 0.905 55.978 55.300 -0.378 0.000 1.149 841 M CB 0.102 32.406 32.600 -0.493 0.000 1.369 841 M HN 0.361 nan 8.290 nan 0.000 0.450 842 C N -1.809 117.342 119.300 -0.249 0.000 3.188 842 C HA 0.171 4.631 4.460 0.000 0.000 0.315 842 C C 1.907 176.703 174.990 -0.323 0.000 1.285 842 C CA -0.543 58.295 59.018 -0.300 0.000 1.729 842 C CB -0.512 26.942 27.740 -0.477 0.000 2.257 842 C HN 0.563 nan 8.230 nan 0.000 0.645 843 C N 0.951 120.050 119.300 -0.335 0.000 2.974 843 C HA 0.193 4.653 4.460 0.000 0.000 0.282 843 C C 0.686 175.605 174.990 -0.119 0.000 1.292 843 C CA -0.138 58.741 59.018 -0.233 0.000 1.710 843 C CB -1.616 25.977 27.740 -0.245 0.000 2.036 843 C HN 0.608 nan 8.230 nan 0.000 0.629 844 Q N 0.378 120.142 119.800 -0.060 0.000 2.257 844 Q HA 0.322 4.662 4.340 0.000 0.000 0.255 844 Q C -0.434 175.580 176.000 0.022 0.000 0.920 844 Q CA -0.056 55.768 55.803 0.036 0.000 0.927 844 Q CB 1.707 30.517 28.738 0.119 0.000 1.229 844 Q HN 0.458 nan 8.270 nan 0.000 0.433 845 C N 4.787 124.098 119.300 0.019 0.000 2.415 845 C HA 0.292 4.752 4.460 0.000 0.000 0.369 845 C C -1.245 173.731 174.990 -0.024 0.000 1.279 845 C CA -1.851 57.142 59.018 -0.042 0.000 1.886 845 C CB 0.023 27.684 27.740 -0.132 0.000 2.468 845 C HN 0.739 nan 8.230 nan 0.000 0.553 846 P HA -0.114 nan 4.420 nan 0.000 0.217 846 P C 1.067 178.340 177.300 -0.045 0.000 1.151 846 P CA 2.121 65.205 63.100 -0.027 0.000 0.849 846 P CB 0.098 31.785 31.700 -0.021 0.000 0.787 847 A N -1.398 121.385 122.820 -0.061 0.000 2.251 847 A HA 0.489 4.809 4.320 0.000 0.000 0.209 847 A C 0.960 178.498 177.584 -0.076 0.000 1.187 847 A CA 0.661 52.661 52.037 -0.061 0.000 0.823 847 A CB -0.882 18.080 19.000 -0.065 0.000 0.846 847 A HN 0.314 nan 8.150 nan 0.000 0.486 848 G N -2.428 106.317 108.800 -0.091 0.000 2.770 848 G HA2 0.545 4.505 3.960 0.000 0.000 0.686 848 G HA3 0.545 4.505 3.960 0.000 0.000 0.686 848 G C 0.355 175.128 174.900 -0.212 0.000 1.180 848 G CA -0.245 44.839 45.100 -0.027 0.000 0.767 848 G HN 2.416 nan 8.290 nan 0.000 0.646 849 G N -0.868 108.038 108.800 0.177 0.000 2.662 849 G HA2 0.391 4.351 3.960 0.000 0.000 0.686 849 G HA3 0.391 4.351 3.960 0.000 0.000 0.686 849 G C -0.663 174.133 174.900 -0.173 0.000 1.271 849 G CA 0.073 45.036 45.100 -0.228 0.000 0.816 849 G HN 1.674 nan 8.290 nan 0.000 0.608 850 L N -0.174 120.935 121.223 -0.190 0.000 2.256 850 L HA 0.988 5.328 4.340 0.000 0.000 0.261 850 L C 0.368 177.181 176.870 -0.095 0.000 1.022 850 L CA -0.922 53.826 54.840 -0.152 0.000 0.828 850 L CB 1.806 43.749 42.059 -0.193 0.000 1.374 850 L HN 1.048 nan 8.230 nan 0.000 0.436 851 L N -3.215 117.948 121.223 -0.099 0.000 2.503 851 L HA 0.664 5.004 4.340 0.000 0.000 0.248 851 L C 0.367 177.095 176.870 -0.236 0.000 1.126 851 L CA -0.668 54.070 54.840 -0.171 0.000 0.929 851 L CB 0.246 42.187 42.059 -0.196 0.000 1.544 851 L HN 0.437 nan 8.230 nan 0.000 0.404 852 D N 0.137 120.203 120.400 -0.557 0.000 2.077 852 D HA -0.079 4.561 4.640 0.000 0.000 0.193 852 D C 0.006 176.281 176.300 -0.041 0.000 0.989 852 D CA 2.284 56.061 54.000 -0.372 0.000 0.831 852 D CB 0.367 40.877 40.800 -0.483 0.000 0.979 852 D HN 0.708 nan 8.370 nan 0.000 0.449 853 K N -1.763 118.600 120.400 -0.062 0.000 2.579 853 K HA 0.516 4.836 4.320 0.000 0.000 0.284 853 K C -3.033 173.544 176.600 -0.037 0.000 0.990 853 K CA -1.710 54.594 56.287 0.029 0.000 0.880 853 K CB 1.391 33.958 32.500 0.112 0.000 1.488 853 K HN -0.296 nan 8.250 nan 0.000 0.425 854 P HA 0.005 nan 4.420 nan 0.000 0.262 854 P C 0.511 177.793 177.300 -0.031 0.000 1.182 854 P CA 1.756 64.832 63.100 -0.040 0.000 0.761 854 P CB 0.479 32.160 31.700 -0.031 0.000 0.795 855 G N 1.457 110.233 108.800 -0.039 0.000 2.213 855 G HA2 -0.178 3.782 3.960 0.000 0.000 0.226 855 G HA3 -0.178 3.782 3.960 0.000 0.000 0.226 855 G C 0.191 175.065 174.900 -0.044 0.000 0.992 855 G CA -0.301 44.779 45.100 -0.034 0.000 0.632 855 G HN 0.474 nan 8.290 nan 0.000 0.511 856 K N 1.017 121.379 120.400 -0.064 0.000 2.090 856 K HA 0.678 4.998 4.320 0.000 0.000 0.249 856 K C 0.356 176.902 176.600 -0.091 0.000 0.995 856 K CA -0.326 55.911 56.287 -0.082 0.000 0.914 856 K CB 1.274 33.698 32.500 -0.126 0.000 1.057 856 K HN 0.172 nan 8.250 nan 0.000 0.462 857 S N 1.158 116.808 115.700 -0.084 0.000 2.601 857 S HA 0.226 4.696 4.470 0.000 0.000 0.271 857 S C 0.301 174.845 174.600 -0.095 0.000 1.305 857 S CA -0.760 57.393 58.200 -0.078 0.000 1.022 857 S CB 0.766 63.934 63.200 -0.053 0.000 0.940 857 S HN 0.479 nan 8.310 nan 0.000 0.525 858 R N 0.849 121.281 120.500 -0.114 0.000 2.615 858 R HA 0.537 4.878 4.340 0.000 0.000 0.270 858 R C -1.091 175.181 176.300 -0.047 0.000 1.081 858 R CA -0.517 55.500 56.100 -0.139 0.000 1.154 858 R CB -0.027 30.086 30.300 -0.311 0.000 1.063 858 R HN 0.715 nan 8.270 nan 0.000 0.519 859 D N -0.058 120.352 120.400 0.016 0.000 2.653 859 D HA 0.123 4.763 4.640 0.000 0.000 0.258 859 D C -0.363 175.957 176.300 0.032 0.000 1.252 859 D CA -0.839 53.214 54.000 0.088 0.000 0.777 859 D CB 0.166 41.075 40.800 0.182 0.000 1.339 859 D HN 0.388 nan 8.370 nan 0.000 0.422 860 F N -0.663 119.480 119.950 0.322 0.000 2.293 860 F HA -0.039 4.488 4.527 0.000 0.000 0.300 860 F C 1.978 177.656 175.800 -0.203 0.000 1.086 860 F CA 0.614 58.700 58.000 0.143 0.000 1.375 860 F CB -0.388 38.742 39.000 0.217 0.000 1.045 860 F HN 0.489 nan 8.300 nan 0.000 0.516 861 Y N 0.533 120.499 120.300 -0.557 0.000 2.114 861 Y HA -0.284 4.266 4.550 0.000 0.000 0.284 861 Y C 2.448 178.013 175.900 -0.558 0.000 1.143 861 Y CA 2.051 59.406 58.100 -1.243 0.000 1.135 861 Y CB -0.894 36.828 38.460 -1.229 0.000 0.980 861 Y HN 0.046 nan 8.280 nan 0.000 0.499 862 H N -1.046 117.914 119.070 -0.183 0.000 2.423 862 H HA -0.089 4.468 4.556 0.000 0.000 0.297 862 H C 2.164 177.362 175.328 -0.216 0.000 1.075 862 H CA 1.877 57.813 56.048 -0.186 0.000 1.342 862 H CB -0.240 29.506 29.762 -0.027 0.000 1.395 862 H HN 0.320 nan 8.280 nan 0.000 0.530 863 T N -0.486 114.022 114.554 -0.077 0.000 2.708 863 T HA -0.242 4.108 4.350 0.000 0.000 0.266 863 T C 2.355 176.926 174.700 -0.216 0.000 1.037 863 T CA 1.302 63.341 62.100 -0.101 0.000 1.146 863 T CB -0.688 68.212 68.868 0.054 0.000 0.865 863 T HN 0.569 nan 8.240 nan 0.000 0.435 864 C N 0.697 119.798 119.300 -0.332 0.000 2.436 864 C HA -0.117 4.343 4.460 0.000 0.000 0.277 864 C C 2.357 176.944 174.990 -0.671 0.000 1.241 864 C CA 0.588 59.293 59.018 -0.522 0.000 1.721 864 C CB -1.472 25.856 27.740 -0.685 0.000 2.043 864 C HN 0.657 nan 8.230 nan 0.000 0.472 865 Y N -0.222 119.794 120.300 -0.474 0.000 2.395 865 Y HA -0.028 4.522 4.550 0.000 0.000 0.293 865 Y C 2.868 178.614 175.900 -0.256 0.000 1.123 865 Y CA 1.282 59.098 58.100 -0.473 0.000 1.227 865 Y CB -0.585 37.441 38.460 -0.723 0.000 1.012 865 Y HN 0.403 nan 8.280 nan 0.000 0.552 866 C N -0.110 119.132 119.300 -0.096 0.000 2.446 866 C HA -0.134 4.326 4.460 0.000 0.000 0.277 866 C C 2.665 177.623 174.990 -0.053 0.000 1.275 866 C CA 0.898 59.897 59.018 -0.033 0.000 1.727 866 C CB -1.165 26.547 27.740 -0.048 0.000 2.010 866 C HN 0.524 nan 8.230 nan 0.000 0.486 867 L N 0.328 121.472 121.223 -0.131 0.000 2.056 867 L HA -0.118 4.222 4.340 0.000 0.000 0.207 867 L C 2.654 179.471 176.870 -0.088 0.000 1.078 867 L CA 1.355 56.120 54.840 -0.124 0.000 0.749 867 L CB -0.741 41.202 42.059 -0.193 0.000 0.901 867 L HN 0.287 nan 8.230 nan 0.000 0.433 868 S N 0.225 115.844 115.700 -0.136 0.000 2.370 868 S HA -0.150 4.320 4.470 0.000 0.000 0.226 868 S C 2.029 176.714 174.600 0.142 0.000 1.033 868 S CA 1.365 59.542 58.200 -0.038 0.000 1.011 868 S CB -0.659 62.415 63.200 -0.210 0.000 0.852 868 S HN 0.614 nan 8.310 nan 0.000 0.457 869 G N 1.505 110.385 108.800 0.133 0.000 2.408 869 G HA2 -0.141 3.819 3.960 0.000 0.000 0.217 869 G HA3 -0.141 3.819 3.960 0.000 0.000 0.217 869 G C 1.380 176.372 174.900 0.153 0.000 1.150 869 G CA 0.772 45.956 45.100 0.140 0.000 0.776 869 G HN 0.412 nan 8.290 nan 0.000 0.542 870 L N 1.148 122.440 121.223 0.116 0.000 2.046 870 L HA 0.008 4.348 4.340 0.000 0.000 0.208 870 L C 2.862 179.811 176.870 0.132 0.000 1.077 870 L CA 2.458 57.368 54.840 0.116 0.000 0.747 870 L CB -0.827 41.268 42.059 0.060 0.000 0.896 870 L HN 0.230 nan 8.230 nan 0.000 0.432 871 S N -0.731 115.055 115.700 0.144 0.000 2.368 871 S HA -0.165 4.306 4.470 0.000 0.000 0.225 871 S C 2.066 176.860 174.600 0.324 0.000 1.030 871 S CA 1.640 59.976 58.200 0.227 0.000 0.999 871 S CB -0.428 62.901 63.200 0.216 0.000 0.844 871 S HN 0.502 nan 8.310 nan 0.000 0.459 872 I N 1.477 122.229 120.570 0.303 0.000 2.226 872 I HA -0.140 4.031 4.170 0.000 0.000 0.245 872 I C 2.747 179.174 176.117 0.516 0.000 1.100 872 I CA 1.130 62.647 61.300 0.361 0.000 1.374 872 I CB -0.484 37.630 38.000 0.190 0.000 1.057 872 I HN 0.390 nan 8.210 nan 0.000 0.413 873 A N -0.047 123.046 122.820 0.455 0.000 2.067 873 A HA -0.206 4.115 4.320 0.000 0.000 0.219 873 A C 2.186 179.906 177.584 0.227 0.000 1.158 873 A CA 1.318 53.648 52.037 0.489 0.000 0.661 873 A CB -0.390 18.881 19.000 0.451 0.000 0.801 873 A HN 0.500 nan 8.150 nan 0.000 0.452 874 Q N -1.191 118.651 119.800 0.071 0.000 2.302 874 Q HA 0.018 4.358 4.340 0.000 0.000 0.202 874 Q C -0.363 175.415 176.000 -0.371 0.000 0.936 874 Q CA 0.632 56.288 55.803 -0.245 0.000 0.886 874 Q CB 0.140 28.568 28.738 -0.517 0.000 0.986 874 Q HN 0.874 nan 8.270 nan 0.000 0.487 875 H N -0.911 118.278 119.070 0.198 0.000 2.589 875 H HA 0.319 4.875 4.556 0.000 0.000 0.335 875 H C -1.585 173.871 175.328 0.213 0.000 1.019 875 H CA -0.745 55.393 56.048 0.151 0.000 1.213 875 H CB 1.073 30.918 29.762 0.137 0.000 1.472 875 H HN 0.013 nan 8.280 nan 0.000 0.508 876 F N 2.435 122.285 119.950 -0.166 0.000 2.450 876 F HA 0.718 5.245 4.527 0.000 0.000 0.332 876 F C -0.066 175.504 175.800 -0.385 0.000 1.093 876 F CA -0.404 57.144 58.000 -0.754 0.000 1.003 876 F CB 1.535 39.913 39.000 -1.035 0.000 1.151 876 F HN 0.617 nan 8.300 nan 0.000 0.474 877 G N 2.533 110.472 108.800 -1.435 0.000 2.734 877 G HA2 0.481 4.442 3.960 0.000 0.000 0.293 877 G HA3 0.481 4.442 3.960 0.000 0.000 0.293 877 G C -1.984 172.363 174.900 -0.922 0.000 1.422 877 G CA -0.722 43.878 45.100 -0.832 0.000 1.177 877 G HN 0.798 nan 8.290 nan 0.000 0.565 878 S N 1.360 116.667 115.700 -0.655 0.000 2.653 878 S HA 0.669 5.139 4.470 0.000 0.000 0.268 878 S C 0.694 175.188 174.600 -0.175 0.000 1.153 878 S CA 1.035 59.014 58.200 -0.369 0.000 1.036 878 S CB 0.269 63.295 63.200 -0.290 0.000 1.103 878 S HN 2.676 nan 8.310 nan 0.000 0.466 879 G N 3.848 112.583 108.800 -0.108 0.000 2.527 879 G HA2 -0.084 3.876 3.960 0.000 0.000 0.268 879 G HA3 -0.084 3.876 3.960 0.000 0.000 0.268 879 G C 0.876 175.769 174.900 -0.012 0.000 1.175 879 G CA 0.054 45.145 45.100 -0.015 0.000 0.962 879 G HN 1.864 nan 8.290 nan 0.000 0.560 880 A N -0.856 121.972 122.820 0.013 0.000 2.251 880 A HA 0.625 4.945 4.320 0.000 0.000 0.209 880 A C 1.202 178.792 177.584 0.009 0.000 1.187 880 A CA 1.534 53.578 52.037 0.012 0.000 0.823 880 A CB -0.082 18.933 19.000 0.025 0.000 0.846 880 A HN 0.762 nan 8.150 nan 0.000 0.486 881 M N 0.536 120.143 119.600 0.011 0.000 2.184 881 M HA 0.460 4.941 4.480 0.000 0.000 0.351 881 M C -1.229 175.086 176.300 0.025 0.000 1.395 881 M CA -0.017 55.310 55.300 0.046 0.000 1.117 881 M CB 0.546 33.217 32.600 0.117 0.000 1.708 881 M HN 0.117 nan 8.290 nan 0.000 0.468 882 L N 4.654 125.913 121.223 0.059 0.000 2.409 882 L HA 0.458 4.799 4.340 0.000 0.000 0.272 882 L C -1.276 175.674 176.870 0.133 0.000 0.980 882 L CA -0.411 54.463 54.840 0.056 0.000 0.826 882 L CB 1.822 43.889 42.059 0.012 0.000 1.268 882 L HN 0.645 nan 8.230 nan 0.000 0.407 883 H N 1.525 120.614 119.070 0.032 0.000 3.018 883 H HA 0.571 5.127 4.556 0.000 0.000 0.334 883 H C -1.554 173.719 175.328 -0.092 0.000 0.983 883 H CA -0.473 55.526 56.048 -0.081 0.000 1.363 883 H CB 1.155 30.764 29.762 -0.256 0.000 1.668 883 H HN 0.494 nan 8.280 nan 0.000 0.513 884 D N 3.430 123.541 120.400 -0.481 0.000 2.181 884 D HA 0.392 5.033 4.640 0.000 0.000 0.248 884 D C -0.521 175.486 176.300 -0.488 0.000 1.020 884 D CA -0.410 53.383 54.000 -0.344 0.000 0.891 884 D CB 2.363 43.087 40.800 -0.127 0.000 1.187 884 D HN 0.260 nan 8.370 nan 0.000 0.443 885 V N 2.268 121.992 119.914 -0.315 0.000 2.454 885 V HA 0.144 4.264 4.120 0.000 0.000 0.267 885 V C -0.402 175.599 176.094 -0.155 0.000 0.993 885 V CA -0.686 61.485 62.300 -0.213 0.000 0.836 885 V CB 1.496 33.242 31.823 -0.128 0.000 1.055 885 V HN 0.279 nan 8.190 nan 0.000 0.452 886 V N 5.519 125.350 119.914 -0.138 0.000 2.320 886 V HA 0.350 4.470 4.120 0.000 0.000 0.265 886 V C 0.127 176.186 176.094 -0.058 0.000 1.048 886 V CA -0.432 61.808 62.300 -0.101 0.000 0.865 886 V CB 1.356 33.128 31.823 -0.085 0.000 1.043 886 V HN 0.619 nan 8.190 nan 0.000 0.474 887 L N 5.735 126.934 121.223 -0.040 0.000 2.426 887 L HA 0.761 5.101 4.340 0.000 0.000 0.271 887 L C 0.855 177.716 176.870 -0.016 0.000 1.169 887 L CA 1.973 56.798 54.840 -0.025 0.000 0.836 887 L CB 0.480 42.530 42.059 -0.015 0.000 1.112 887 L HN 0.949 nan 8.230 nan 0.000 0.465 888 G N 2.690 111.483 108.800 -0.010 0.000 2.568 888 G HA2 -0.107 3.853 3.960 0.000 0.000 0.222 888 G HA3 -0.107 3.853 3.960 0.000 0.000 0.222 888 G C -0.357 174.549 174.900 0.009 0.000 1.321 888 G CA -0.359 44.745 45.100 0.006 0.000 0.893 888 G HN 1.602 nan 8.290 nan 0.000 0.569 889 V N -1.422 118.505 119.914 0.022 0.000 2.740 889 V HA 0.457 4.577 4.120 0.000 0.000 0.303 889 V C -0.399 175.701 176.094 0.011 0.000 1.054 889 V CA 0.051 62.364 62.300 0.022 0.000 1.106 889 V CB 0.822 32.663 31.823 0.030 0.000 0.957 889 V HN 0.596 nan 8.190 nan 0.000 0.486 890 P HA -0.148 nan 4.420 nan 0.000 0.217 890 P C 1.271 178.575 177.300 0.007 0.000 1.148 890 P CA 1.620 64.722 63.100 0.003 0.000 0.834 890 P CB 0.113 31.815 31.700 0.002 0.000 0.783 891 E N -1.237 118.969 120.200 0.010 0.000 2.401 891 E HA -0.129 4.221 4.350 0.000 0.000 0.199 891 E C 1.474 178.085 176.600 0.017 0.000 1.023 891 E CA 0.538 56.945 56.400 0.011 0.000 0.859 891 E CB -0.818 28.887 29.700 0.008 0.000 0.780 891 E HN 0.279 nan 8.360 nan 0.000 0.523 892 N N 0.749 119.459 118.700 0.018 0.000 2.453 892 N HA -0.031 4.709 4.740 0.000 0.000 0.183 892 N C 0.088 175.612 175.510 0.025 0.000 1.041 892 N CA 0.714 53.777 53.050 0.023 0.000 0.900 892 N CB -0.214 38.282 38.487 0.016 0.000 0.961 892 N HN 0.127 nan 8.380 nan 0.000 0.443 893 A N 1.183 124.018 122.820 0.025 0.000 2.545 893 A HA 0.177 4.497 4.320 0.000 0.000 0.253 893 A C 0.362 178.003 177.584 0.094 0.000 1.074 893 A CA 0.201 52.272 52.037 0.057 0.000 0.760 893 A CB -0.263 18.782 19.000 0.076 0.000 1.005 893 A HN 0.228 nan 8.150 nan 0.000 0.506 894 L N 1.967 123.283 121.223 0.154 0.000 2.365 894 L HA 0.333 4.673 4.340 0.000 0.000 0.267 894 L C 0.487 177.459 176.870 0.172 0.000 1.033 894 L CA -1.073 53.847 54.840 0.134 0.000 0.802 894 L CB 0.716 42.836 42.059 0.102 0.000 1.267 894 L HN 0.628 nan 8.230 nan 0.000 0.457 895 Q N 1.973 121.808 119.800 0.058 0.000 2.373 895 Q HA 0.242 4.582 4.340 0.000 0.000 0.255 895 Q C -2.202 173.800 176.000 0.002 0.000 0.980 895 Q CA -1.616 54.187 55.803 0.000 0.000 0.882 895 Q CB 0.587 29.320 28.738 -0.009 0.000 1.249 895 Q HN 0.258 nan 8.270 nan 0.000 0.438 896 P HA 0.038 nan 4.420 nan 0.000 0.272 896 P C -0.417 176.945 177.300 0.103 0.000 1.230 896 P CA -0.085 62.986 63.100 -0.049 0.000 0.788 896 P CB 0.841 32.442 31.700 -0.165 0.000 0.949 897 T N 0.058 114.723 114.554 0.186 0.000 2.893 897 T HA 0.197 4.547 4.350 0.000 0.000 0.291 897 T C -0.806 174.068 174.700 0.289 0.000 1.028 897 T CA -0.516 61.748 62.100 0.274 0.000 0.995 897 T CB 0.448 69.513 68.868 0.329 0.000 1.051 897 T HN 0.386 nan 8.240 nan 0.000 0.470 898 H N 5.664 124.888 119.070 0.256 0.000 2.767 898 H HA 0.253 4.809 4.556 0.000 0.000 0.316 898 H C -1.603 173.924 175.328 0.331 0.000 1.059 898 H CA -1.807 54.407 56.048 0.277 0.000 1.461 898 H CB 1.906 31.866 29.762 0.330 0.000 1.475 898 H HN 0.430 nan 8.280 nan 0.000 0.531 899 P HA -0.146 nan 4.420 nan 0.000 0.220 899 P C 1.351 178.963 177.300 0.521 0.000 1.148 899 P CA 0.631 63.913 63.100 0.303 0.000 0.803 899 P CB 0.646 32.354 31.700 0.014 0.000 0.782 900 V N -1.352 118.908 119.914 0.577 0.000 2.331 900 V HA -0.145 3.976 4.120 0.000 0.000 0.242 900 V C 2.373 178.684 176.094 0.363 0.000 1.034 900 V CA 1.640 64.122 62.300 0.304 0.000 1.027 900 V CB -1.317 30.453 31.823 -0.088 0.000 0.667 900 V HN -0.032 nan 8.190 nan 0.000 0.457 901 Y N -0.597 120.039 120.300 0.561 0.000 2.503 901 Y HA 0.246 4.796 4.550 0.000 0.000 0.278 901 Y C 1.396 177.519 175.900 0.372 0.000 1.111 901 Y CA 0.298 58.646 58.100 0.414 0.000 1.270 901 Y CB -0.089 38.417 38.460 0.077 0.000 1.063 901 Y HN 0.375 nan 8.280 nan 0.000 0.548 902 N N 0.858 119.848 118.700 0.483 0.000 2.746 902 N HA -0.192 4.549 4.740 0.000 0.000 0.250 902 N C -0.986 174.390 175.510 -0.223 0.000 1.055 902 N CA 0.915 54.052 53.050 0.146 0.000 0.699 902 N CB -1.480 36.908 38.487 -0.166 0.000 0.919 902 N HN 0.640 nan 8.380 nan 0.000 0.548 903 I N -4.039 116.550 120.570 0.032 0.000 3.095 903 I HA 0.733 4.903 4.170 0.000 0.000 0.310 903 I C 0.965 177.217 176.117 0.224 0.000 1.196 903 I CA -0.978 60.323 61.300 0.001 0.000 0.985 903 I CB 1.581 39.594 38.000 0.022 0.000 1.250 903 I HN 0.023 nan 8.210 nan 0.000 0.446 904 G N 2.690 111.629 108.800 0.232 0.000 2.368 904 G HA2 0.250 4.210 3.960 0.000 0.000 0.233 904 G HA3 0.250 4.210 3.960 0.000 0.000 0.233 904 G C -2.008 173.006 174.900 0.190 0.000 1.267 904 G CA -0.592 44.626 45.100 0.195 0.000 0.873 904 G HN 0.614 nan 8.290 nan 0.000 0.539 905 P HA -0.112 nan 4.420 nan 0.000 0.216 905 P C 1.626 179.017 177.300 0.152 0.000 1.150 905 P CA 1.469 64.718 63.100 0.248 0.000 0.837 905 P CB 0.178 31.995 31.700 0.195 0.000 0.786 906 D N -0.157 120.305 120.400 0.103 0.000 2.144 906 D HA -0.194 4.446 4.640 0.000 0.000 0.199 906 D C 1.437 177.775 176.300 0.063 0.000 0.984 906 D CA 1.362 55.404 54.000 0.070 0.000 0.834 906 D CB -0.700 40.129 40.800 0.049 0.000 0.955 906 D HN 0.080 nan 8.370 nan 0.000 0.465 907 K N 0.703 121.143 120.400 0.067 0.000 2.097 907 K HA -0.010 4.310 4.320 0.000 0.000 0.205 907 K C 2.498 179.109 176.600 0.019 0.000 1.050 907 K CA 0.353 56.672 56.287 0.054 0.000 0.938 907 K CB -0.709 31.824 32.500 0.055 0.000 0.718 907 K HN 0.195 nan 8.250 nan 0.000 0.442 908 V N 2.015 121.921 119.914 -0.013 0.000 2.261 908 V HA -0.221 3.899 4.120 0.000 0.000 0.246 908 V C 2.404 178.453 176.094 -0.073 0.000 1.047 908 V CA 1.542 63.759 62.300 -0.138 0.000 1.015 908 V CB -0.422 31.288 31.823 -0.188 0.000 0.642 908 V HN 0.174 nan 8.190 nan 0.000 0.446 909 I N -0.299 120.277 120.570 0.010 0.000 2.163 909 I HA -0.334 3.836 4.170 0.000 0.000 0.243 909 I C 2.669 178.794 176.117 0.013 0.000 1.085 909 I CA 2.018 63.333 61.300 0.026 0.000 1.347 909 I CB -0.437 37.596 38.000 0.055 0.000 1.044 909 I HN 0.399 nan 8.210 nan 0.000 0.408 910 Q N 0.928 120.745 119.800 0.029 0.000 2.084 910 Q HA -0.213 4.128 4.340 0.000 0.000 0.202 910 Q C 2.326 178.310 176.000 -0.028 0.000 0.978 910 Q CA 1.891 57.720 55.803 0.044 0.000 0.844 910 Q CB -0.055 28.742 28.738 0.099 0.000 0.898 910 Q HN 0.549 nan 8.270 nan 0.000 0.426 911 A N 0.340 123.129 122.820 -0.051 0.000 1.855 911 A HA -0.186 4.134 4.320 0.000 0.000 0.215 911 A C 2.290 179.800 177.584 -0.124 0.000 1.191 911 A CA 2.080 53.974 52.037 -0.240 0.000 0.613 911 A CB -1.272 17.719 19.000 -0.015 0.000 0.829 911 A HN 0.660 nan 8.150 nan 0.000 0.442 912 T N -3.095 111.436 114.554 -0.039 0.000 2.788 912 T HA -0.142 4.208 4.350 0.000 0.000 0.268 912 T C 1.785 176.489 174.700 0.006 0.000 1.044 912 T CA 2.154 64.263 62.100 0.015 0.000 1.139 912 T CB -1.022 67.836 68.868 -0.016 0.000 0.867 912 T HN 0.314 nan 8.240 nan 0.000 0.454 913 T N 0.656 115.195 114.554 -0.024 0.000 2.737 913 T HA -0.027 4.323 4.350 0.000 0.000 0.265 913 T C 1.451 176.109 174.700 -0.070 0.000 1.038 913 T CA 1.380 63.465 62.100 -0.024 0.000 1.144 913 T CB -0.612 68.254 68.868 -0.003 0.000 0.866 913 T HN 0.532 nan 8.240 nan 0.000 0.434 914 Y N 0.980 121.098 120.300 -0.303 0.000 2.097 914 Y HA -0.138 4.412 4.550 0.000 0.000 0.282 914 Y C 1.844 177.487 175.900 -0.427 0.000 1.152 914 Y CA 1.308 59.129 58.100 -0.465 0.000 1.136 914 Y CB -0.608 37.290 38.460 -0.936 0.000 0.975 914 Y HN 0.239 nan 8.280 nan 0.000 0.498 915 F N -0.573 119.285 119.950 -0.153 0.000 2.293 915 F HA -0.146 4.382 4.527 0.000 0.000 0.300 915 F C 2.068 177.787 175.800 -0.136 0.000 1.086 915 F CA 0.581 58.487 58.000 -0.157 0.000 1.375 915 F CB -0.304 38.648 39.000 -0.079 0.000 1.045 915 F HN 0.030 nan 8.300 nan 0.000 0.516 916 L N -0.296 120.952 121.223 0.042 0.000 2.456 916 L HA -0.183 4.157 4.340 0.000 0.000 0.224 916 L C 1.886 178.741 176.870 -0.025 0.000 1.148 916 L CA 1.001 55.853 54.840 0.020 0.000 0.825 916 L CB -0.440 41.627 42.059 0.013 0.000 0.937 916 L HN 0.231 nan 8.230 nan 0.000 0.450 917 Q N -0.342 119.396 119.800 -0.104 0.000 2.444 917 Q HA 0.041 4.381 4.340 0.000 0.000 0.206 917 Q C -0.002 175.934 176.000 -0.107 0.000 0.948 917 Q CA 0.420 56.148 55.803 -0.126 0.000 0.946 917 Q CB 0.390 28.999 28.738 -0.215 0.000 1.027 917 Q HN 0.408 nan 8.270 nan 0.000 0.513 918 K N 1.436 121.796 120.400 -0.068 0.000 2.208 918 K HA 0.403 4.723 4.320 0.000 0.000 0.247 918 K C -2.492 174.133 176.600 0.042 0.000 0.953 918 K CA -1.994 54.283 56.287 -0.016 0.000 0.837 918 K CB 1.379 33.893 32.500 0.023 0.000 1.131 918 K HN -0.120 nan 8.250 nan 0.000 0.431 919 P HA 0.101 nan 4.420 nan 0.000 0.278 919 P C -0.417 176.955 177.300 0.120 0.000 1.258 919 P CA -0.511 62.664 63.100 0.126 0.000 0.811 919 P CB 0.740 32.517 31.700 0.127 0.000 1.063 920 V N 3.126 123.144 119.914 0.173 0.000 2.521 920 V HA 0.071 4.191 4.120 0.000 0.000 0.286 920 V C -1.885 174.282 176.094 0.122 0.000 1.034 920 V CA -1.249 61.129 62.300 0.130 0.000 1.045 920 V CB -0.268 31.637 31.823 0.135 0.000 0.974 920 V HN 0.547 nan 8.190 nan 0.000 0.480 921 P HA 0.021 nan 4.420 nan 0.000 0.251 921 P C 0.954 178.249 177.300 -0.008 0.000 1.154 921 P CA 1.604 64.703 63.100 -0.001 0.000 0.805 921 P CB -0.111 31.569 31.700 -0.033 0.000 0.759 922 G N 2.925 111.705 108.800 -0.033 0.000 2.179 922 G HA2 -0.305 3.655 3.960 0.000 0.000 0.257 922 G HA3 -0.305 3.655 3.960 0.000 0.000 0.257 922 G C 0.432 175.378 174.900 0.077 0.000 1.010 922 G CA -0.164 44.905 45.100 -0.053 0.000 0.736 922 G HN 0.577 nan 8.290 nan 0.000 0.513 923 F N 0.000 119.935 119.950 -0.024 0.000 2.286 923 F HA 0.000 4.527 4.527 0.000 0.000 0.279 923 F CA 0.000 57.995 58.000 -0.008 0.000 1.383 923 F CB 0.000 38.998 39.000 -0.004 0.000 1.145 923 F HN 0.000 nan 8.300 nan 0.000 0.574