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 1tn7_1_B DATA FIRST_RESID 517 DATA SEQUENCE PVWSEPLYSL RPEHARERLQ DDSVETVTSI EQAKVEEKIQ EVFSSYKFNH DATA SEQUENCE LVPRLVLQRE KHFHYLKRGL RQLTDAYECL DASRPWLCYW ILHSLELLDE DATA SEQUENCE PIPQIVATDV CQFLELCQSP DGGFGGGPGQ YPHLAPTYAA VNALCIIGTE DATA SEQUENCE EAYNVINREK LLQYLYSLKQ PDGSFLMHVG GEVDVRSAYC AASVASLTNI DATA SEQUENCE ITPDLFEGTA EWIARCQNWE GGIGGVPGME AHGGYTFCGL AALVILKKER DATA SEQUENCE SLNLKSLLQW VTSRQMRFEG GFQGRCNKLV DGCYSFWQAG LLPLLHRALH DATA SEQUENCE AQGDPALSMS HWMFHQQALQ EYILMCCQCP AGGLLDKPGK SRDFYHTCYC DATA SEQUENCE LSGLSIAQHF GSGAMLHDVV MGVPENVLQP THPVYNIGPD KVIQATTHFL 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 0.000 177.027 177.300 -0.455 0.000 1.155 517 P CA 0.000 62.816 63.100 -0.474 0.000 0.800 517 P CB 0.000 31.086 31.700 -1.023 0.000 0.726 518 V N 0.850 120.608 119.914 -0.260 0.000 2.719 518 V HA -0.028 4.092 4.120 -0.000 0.000 0.252 518 V C 1.157 177.205 176.094 -0.076 0.000 1.065 518 V CA 1.556 63.790 62.300 -0.110 0.000 1.086 518 V CB -0.433 31.404 31.823 0.023 0.000 0.700 518 V HN 0.663 nan 8.190 nan 0.000 0.467 519 W N -0.438 120.860 121.300 -0.003 0.000 2.770 519 W HA 0.295 4.955 4.660 -0.000 0.000 0.256 519 W C 0.689 177.203 176.519 -0.009 0.000 1.291 519 W CA 0.056 57.399 57.345 -0.002 0.000 1.396 519 W CB -1.223 28.237 29.460 0.000 0.000 1.114 519 W HN 0.247 nan 8.180 nan 0.000 0.637 520 S N 2.281 117.553 115.700 -0.713 0.000 2.533 520 S HA 0.083 4.553 4.470 -0.000 0.000 0.282 520 S C -0.224 174.230 174.600 -0.244 0.000 1.304 520 S CA 0.101 57.941 58.200 -0.602 0.000 1.063 520 S CB 1.148 63.855 63.200 -0.820 0.000 0.881 520 S HN 0.114 nan 8.310 nan 0.000 0.493 521 E N 4.667 124.788 120.200 -0.131 0.000 2.115 521 E HA 0.271 4.621 4.350 -0.000 0.000 0.282 521 E C -1.473 175.058 176.600 -0.116 0.000 0.987 521 E CA -2.224 54.113 56.400 -0.104 0.000 0.797 521 E CB 0.855 30.511 29.700 -0.074 0.000 1.086 521 E HN 0.226 nan 8.360 nan 0.000 0.397 522 P HA -0.114 nan 4.420 nan 0.000 0.220 522 P C 0.026 177.275 177.300 -0.084 0.000 1.148 522 P CA 0.730 63.771 63.100 -0.099 0.000 0.803 522 P CB 0.329 31.969 31.700 -0.100 0.000 0.782 523 L N 0.032 121.180 121.223 -0.126 0.000 2.315 523 L HA 0.141 4.481 4.340 -0.000 0.000 0.283 523 L C 1.963 178.734 176.870 -0.165 0.000 1.089 523 L CA -0.644 54.106 54.840 -0.150 0.000 0.833 523 L CB 0.298 42.216 42.059 -0.235 0.000 1.170 523 L HN -0.144 nan 8.230 nan 0.000 0.442 524 Y N 2.929 123.081 120.300 -0.246 0.000 2.151 524 Y HA -0.337 4.212 4.550 -0.000 0.000 0.284 524 Y C 2.373 177.956 175.900 -0.528 0.000 1.166 524 Y CA 2.223 60.160 58.100 -0.271 0.000 1.163 524 Y CB 0.236 38.570 38.460 -0.211 0.000 0.974 524 Y HN 0.654 nan 8.280 nan 0.000 0.511 525 S N 0.038 115.302 115.700 -0.726 0.000 2.515 525 S HA -0.025 4.445 4.470 -0.000 0.000 0.231 525 S C 1.574 175.396 174.600 -1.296 0.000 0.987 525 S CA 1.122 58.368 58.200 -1.590 0.000 0.936 525 S CB -0.218 61.826 63.200 -1.927 0.000 0.766 525 S HN 0.466 nan 8.310 nan 0.000 0.528 526 L N 0.276 121.081 121.223 -0.696 0.000 2.640 526 L HA 0.249 4.589 4.340 -0.000 0.000 0.230 526 L C 0.611 177.351 176.870 -0.217 0.000 1.123 526 L CA -0.059 54.553 54.840 -0.380 0.000 0.900 526 L CB -0.078 41.816 42.059 -0.275 0.000 1.146 526 L HN 0.062 nan 8.230 nan 0.000 0.484 527 R N 0.977 121.330 120.500 -0.246 0.000 2.643 527 R HA 0.063 4.403 4.340 -0.000 0.000 0.270 527 R C -1.390 174.892 176.300 -0.030 0.000 1.061 527 R CA -1.339 54.694 56.100 -0.112 0.000 1.107 527 R CB 0.174 30.393 30.300 -0.134 0.000 0.999 527 R HN -0.189 nan 8.270 nan 0.000 0.460 528 P HA -0.182 nan 4.420 nan 0.000 0.216 528 P C 0.234 177.563 177.300 0.049 0.000 1.150 528 P CA 1.281 64.412 63.100 0.052 0.000 0.837 528 P CB 0.289 32.025 31.700 0.060 0.000 0.786 529 E N -1.868 118.349 120.200 0.028 0.000 2.153 529 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 529 E C 2.005 178.611 176.600 0.009 0.000 0.988 529 E CA 0.822 57.231 56.400 0.014 0.000 0.811 529 E CB -1.296 28.405 29.700 0.001 0.000 0.746 529 E HN 0.452 nan 8.360 nan 0.000 0.466 530 H N 0.472 119.466 119.070 -0.127 0.000 2.460 530 H HA -0.103 4.452 4.556 -0.000 0.000 0.297 530 H C 1.792 177.162 175.328 0.069 0.000 1.103 530 H CA 1.390 57.355 56.048 -0.137 0.000 1.292 530 H CB 0.108 29.705 29.762 -0.275 0.000 1.376 530 H HN 0.259 nan 8.280 nan 0.000 0.531 531 A N 1.278 124.164 122.820 0.110 0.000 2.024 531 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 531 A C 2.452 180.042 177.584 0.010 0.000 1.164 531 A CA 1.041 53.141 52.037 0.105 0.000 0.643 531 A CB -0.426 18.631 19.000 0.096 0.000 0.806 531 A HN 0.423 nan 8.150 nan 0.000 0.451 532 R N -0.303 120.190 120.500 -0.012 0.000 2.280 532 R HA -0.033 4.307 4.340 -0.000 0.000 0.207 532 R C 0.819 177.092 176.300 -0.046 0.000 1.043 532 R CA 0.799 56.883 56.100 -0.027 0.000 1.006 532 R CB -0.046 30.245 30.300 -0.014 0.000 0.885 532 R HN 0.470 nan 8.270 nan 0.000 0.467 533 E N 0.661 120.819 120.200 -0.070 0.000 2.502 533 E HA 0.001 4.351 4.350 -0.000 0.000 0.194 533 E C 0.349 176.925 176.600 -0.041 0.000 1.062 533 E CA 0.241 56.612 56.400 -0.048 0.000 0.867 533 E CB 0.099 29.725 29.700 -0.123 0.000 0.888 533 E HN 0.097 nan 8.360 nan 0.000 0.510 534 R N 0.908 121.315 120.500 -0.155 0.000 2.734 534 R HA 0.045 4.385 4.340 -0.000 0.000 0.266 534 R C 0.542 176.732 176.300 -0.183 0.000 1.044 534 R CA -0.525 55.372 56.100 -0.339 0.000 1.128 534 R CB 0.045 30.131 30.300 -0.358 0.000 1.010 534 R HN 0.056 nan 8.270 nan 0.000 0.461 535 L N 2.058 123.168 121.223 -0.188 0.000 2.525 535 L HA -0.049 4.291 4.340 -0.000 0.000 0.278 535 L C -0.080 176.742 176.870 -0.080 0.000 1.218 535 L CA 1.058 55.836 54.840 -0.105 0.000 0.878 535 L CB 0.280 42.283 42.059 -0.093 0.000 1.127 535 L HN 0.407 nan 8.230 nan 0.000 0.492 536 Q N 3.510 123.279 119.800 -0.051 0.000 2.400 536 Q HA 0.175 4.515 4.340 -0.000 0.000 0.255 536 Q C -0.188 175.795 176.000 -0.027 0.000 1.008 536 Q CA -0.353 55.427 55.803 -0.038 0.000 0.841 536 Q CB 0.970 29.692 28.738 -0.028 0.000 1.220 536 Q HN 0.731 nan 8.270 nan 0.000 0.474 537 D N 2.105 122.489 120.400 -0.027 0.000 2.328 537 D HA -0.091 4.549 4.640 -0.000 0.000 0.226 537 D C -0.434 175.859 176.300 -0.011 0.000 1.066 537 D CA -0.014 53.975 54.000 -0.018 0.000 0.861 537 D CB 0.246 41.035 40.800 -0.020 0.000 0.912 537 D HN 0.459 nan 8.370 nan 0.000 0.521 538 D N 0.264 120.657 120.400 -0.011 0.000 2.860 538 D HA -0.235 4.405 4.640 -0.000 0.000 0.229 538 D C -0.167 176.129 176.300 -0.006 0.000 1.169 538 D CA 1.129 55.125 54.000 -0.007 0.000 0.737 538 D CB -1.767 39.031 40.800 -0.003 0.000 1.080 538 D HN 0.261 nan 8.370 nan 0.000 0.424 539 S N -2.554 113.141 115.700 -0.009 0.000 3.445 539 S HA -0.227 4.243 4.470 -0.000 0.000 0.319 539 S C 0.225 174.822 174.600 -0.005 0.000 1.209 539 S CA 0.904 59.099 58.200 -0.007 0.000 0.934 539 S CB -0.699 62.498 63.200 -0.006 0.000 0.999 539 S HN 0.379 nan 8.310 nan 0.000 0.582 540 V N 1.995 121.907 119.914 -0.004 0.000 2.325 540 V HA 0.281 4.400 4.120 -0.000 0.000 0.280 540 V C 0.261 176.354 176.094 -0.001 0.000 1.016 540 V CA -0.562 61.738 62.300 -0.001 0.000 0.818 540 V CB 1.468 33.292 31.823 0.001 0.000 1.019 540 V HN 0.329 nan 8.190 nan 0.000 0.434 541 E N 3.244 123.444 120.200 -0.001 0.000 2.249 541 E HA 0.645 4.994 4.350 -0.000 0.000 0.280 541 E C -0.050 176.553 176.600 0.004 0.000 1.016 541 E CA -0.345 56.055 56.400 -0.000 0.000 0.830 541 E CB 2.038 31.737 29.700 -0.002 0.000 1.081 541 E HN 0.762 nan 8.360 nan 0.000 0.395 542 T N -2.300 112.257 114.554 0.006 0.000 2.841 542 T HA 0.185 4.535 4.350 -0.000 0.000 0.296 542 T C 0.975 175.682 174.700 0.012 0.000 1.166 542 T CA -0.810 61.296 62.100 0.010 0.000 1.007 542 T CB 0.980 69.857 68.868 0.014 0.000 1.253 542 T HN 0.099 nan 8.240 nan 0.000 0.511 543 V N 1.202 121.125 119.914 0.016 0.000 2.317 543 V HA -0.220 3.900 4.120 -0.000 0.000 0.251 543 V C 2.878 178.983 176.094 0.020 0.000 1.065 543 V CA 2.837 65.148 62.300 0.018 0.000 1.049 543 V CB -1.405 30.432 31.823 0.022 0.000 0.651 543 V HN 1.107 nan 8.190 nan 0.000 0.450 544 T N 0.312 114.880 114.554 0.022 0.000 2.674 544 T HA -0.188 4.162 4.350 -0.000 0.000 0.265 544 T C 2.121 176.830 174.700 0.015 0.000 1.039 544 T CA 2.022 64.137 62.100 0.024 0.000 1.150 544 T CB -0.412 68.473 68.868 0.028 0.000 0.864 544 T HN 0.757 nan 8.240 nan 0.000 0.427 545 S N 1.557 117.262 115.700 0.009 0.000 2.382 545 S HA -0.039 4.430 4.470 -0.000 0.000 0.228 545 S C 2.122 176.719 174.600 -0.005 0.000 1.027 545 S CA 0.829 59.028 58.200 -0.001 0.000 0.991 545 S CB -0.867 62.330 63.200 -0.005 0.000 0.823 545 S HN 0.478 nan 8.310 nan 0.000 0.469 546 I N 1.859 122.429 120.570 -0.001 0.000 2.163 546 I HA -0.156 4.014 4.170 -0.000 0.000 0.243 546 I C 2.867 178.984 176.117 0.001 0.000 1.085 546 I CA 1.573 62.871 61.300 -0.002 0.000 1.347 546 I CB -0.391 37.611 38.000 0.002 0.000 1.044 546 I HN 0.272 nan 8.210 nan 0.000 0.408 547 E N 0.247 120.452 120.200 0.009 0.000 2.150 547 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 547 E C 2.007 178.615 176.600 0.013 0.000 0.985 547 E CA 1.047 57.456 56.400 0.015 0.000 0.814 547 E CB -0.274 29.441 29.700 0.025 0.000 0.752 547 E HN 0.424 nan 8.360 nan 0.000 0.466 548 Q N 0.813 120.618 119.800 0.008 0.000 2.119 548 Q HA 0.009 4.349 4.340 -0.000 0.000 0.201 548 Q C 1.930 177.921 176.000 -0.015 0.000 0.972 548 Q CA 1.742 57.547 55.803 0.003 0.000 0.847 548 Q CB -0.380 28.357 28.738 -0.003 0.000 0.903 548 Q HN 0.182 nan 8.270 nan 0.000 0.433 549 A N 0.549 123.353 122.820 -0.028 0.000 1.902 549 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 549 A C 1.989 179.550 177.584 -0.038 0.000 1.181 549 A CA 1.664 53.671 52.037 -0.051 0.000 0.623 549 A CB -0.433 18.540 19.000 -0.045 0.000 0.818 549 A HN 0.403 nan 8.150 nan 0.000 0.443 550 K N -0.451 119.940 120.400 -0.015 0.000 2.063 550 K HA -0.092 4.227 4.320 -0.000 0.000 0.208 550 K C 1.883 178.486 176.600 0.005 0.000 1.048 550 K CA 1.507 57.791 56.287 -0.005 0.000 0.928 550 K CB -0.398 32.104 32.500 0.004 0.000 0.713 550 K HN 0.306 nan 8.250 nan 0.000 0.442 551 V N 1.908 121.832 119.914 0.018 0.000 2.295 551 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 551 V C 1.998 178.129 176.094 0.062 0.000 1.049 551 V CA 1.793 64.119 62.300 0.043 0.000 1.024 551 V CB -0.438 31.421 31.823 0.060 0.000 0.648 551 V HN 0.339 nan 8.190 nan 0.000 0.447 552 E N -0.292 119.932 120.200 0.041 0.000 2.110 552 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 552 E C 2.260 178.863 176.600 0.006 0.000 0.988 552 E CA 1.281 57.701 56.400 0.034 0.000 0.804 552 E CB -0.125 29.422 29.700 -0.256 0.000 0.745 552 E HN 0.660 nan 8.360 nan 0.000 0.458 553 E N 1.107 121.289 120.200 -0.031 0.000 2.072 553 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 553 E C 2.012 178.625 176.600 0.022 0.000 0.985 553 E CA 1.022 57.415 56.400 -0.012 0.000 0.801 553 E CB 0.138 29.828 29.700 -0.016 0.000 0.750 553 E HN -0.086 nan 8.360 nan 0.000 0.452 554 K N 0.675 121.085 120.400 0.016 0.000 2.097 554 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 554 K C 1.924 178.504 176.600 -0.033 0.000 1.050 554 K CA 0.898 57.185 56.287 -0.000 0.000 0.938 554 K CB -0.162 32.337 32.500 -0.000 0.000 0.718 554 K HN 0.129 nan 8.250 nan 0.000 0.442 555 I N 0.931 121.490 120.570 -0.018 0.000 2.394 555 I HA -0.159 4.011 4.170 -0.000 0.000 0.251 555 I C 2.186 178.096 176.117 -0.345 0.000 1.136 555 I CA 1.142 62.322 61.300 -0.200 0.000 1.425 555 I CB -1.097 36.847 38.000 -0.094 0.000 1.079 555 I HN 0.336 nan 8.210 nan 0.000 0.425 556 Q N 1.604 121.449 119.800 0.076 0.000 2.084 556 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 556 Q C 2.014 178.054 176.000 0.067 0.000 0.978 556 Q CA 1.729 57.674 55.803 0.236 0.000 0.844 556 Q CB -0.140 28.778 28.738 0.300 0.000 0.898 556 Q HN 0.484 nan 8.270 nan 0.000 0.426 557 E N -0.974 119.234 120.200 0.014 0.000 2.058 557 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 557 E C 1.960 178.520 176.600 -0.066 0.000 0.997 557 E CA 1.552 57.949 56.400 -0.004 0.000 0.801 557 E CB -0.066 29.640 29.700 0.011 0.000 0.746 557 E HN 0.208 nan 8.360 nan 0.000 0.450 558 V N 0.837 120.682 119.914 -0.114 0.000 2.287 558 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 558 V C 2.001 178.128 176.094 0.056 0.000 1.053 558 V CA 1.805 64.042 62.300 -0.105 0.000 1.027 558 V CB -0.617 31.102 31.823 -0.173 0.000 0.646 558 V HN 0.295 nan 8.190 nan 0.000 0.447 559 F N 0.332 120.294 119.950 0.021 0.000 2.095 559 F HA -0.203 4.324 4.527 -0.000 0.000 0.298 559 F C 2.650 178.442 175.800 -0.014 0.000 1.104 559 F CA 1.335 59.350 58.000 0.026 0.000 1.232 559 F CB -0.352 38.633 39.000 -0.025 0.000 0.987 559 F HN 0.115 nan 8.300 nan 0.000 0.475 560 S N -0.200 115.507 115.700 0.012 0.000 2.481 560 S HA -0.144 4.326 4.470 -0.000 0.000 0.231 560 S C 2.087 176.368 174.600 -0.532 0.000 0.996 560 S CA 0.895 58.839 58.200 -0.427 0.000 0.942 560 S CB -0.411 62.262 63.200 -0.879 0.000 0.768 560 S HN 0.471 nan 8.310 nan 0.000 0.520 561 S N 1.392 116.922 115.700 -0.283 0.000 2.380 561 S HA -0.260 4.210 4.470 -0.000 0.000 0.229 561 S C 1.593 176.015 174.600 -0.296 0.000 1.043 561 S CA 1.446 59.468 58.200 -0.295 0.000 1.038 561 S CB -0.940 62.035 63.200 -0.375 0.000 0.872 561 S HN 0.595 nan 8.310 nan 0.000 0.456 562 Y N 2.333 122.570 120.300 -0.106 0.000 2.163 562 Y HA 0.008 4.558 4.550 -0.000 0.000 0.288 562 Y C 2.739 178.592 175.900 -0.078 0.000 1.136 562 Y CA 1.359 59.419 58.100 -0.068 0.000 1.147 562 Y CB -0.547 37.884 38.460 -0.050 0.000 0.987 562 Y HN 0.286 nan 8.280 nan 0.000 0.509 563 K N 0.480 120.908 120.400 0.047 0.000 2.009 563 K HA -0.193 4.127 4.320 -0.000 0.000 0.210 563 K C 1.903 178.527 176.600 0.040 0.000 1.049 563 K CA 1.899 58.205 56.287 0.031 0.000 0.929 563 K CB -0.647 31.831 32.500 -0.036 0.000 0.714 563 K HN 0.362 nan 8.250 nan 0.000 0.440 564 F N 0.863 120.721 119.950 -0.154 0.000 2.365 564 F HA -0.097 4.430 4.527 -0.000 0.000 0.300 564 F C 1.791 177.287 175.800 -0.507 0.000 1.090 564 F CA -0.013 57.820 58.000 -0.278 0.000 1.408 564 F CB -0.006 38.918 39.000 -0.127 0.000 1.060 564 F HN 0.177 nan 8.300 nan 0.000 0.534 565 N N -1.010 117.579 118.700 -0.185 0.000 2.336 565 N HA -0.055 4.685 4.740 -0.000 0.000 0.189 565 N C -0.285 175.157 175.510 -0.113 0.000 1.113 565 N CA 0.420 53.374 53.050 -0.160 0.000 0.858 565 N CB -0.177 38.269 38.487 -0.069 0.000 0.970 565 N HN 0.264 nan 8.380 nan 0.000 0.471 566 H N -0.411 118.730 119.070 0.118 0.000 2.819 566 H HA -0.134 4.422 4.556 -0.000 0.000 0.315 566 H C -0.469 174.910 175.328 0.086 0.000 1.242 566 H CA 0.579 56.686 56.048 0.099 0.000 1.157 566 H CB -2.090 27.718 29.762 0.077 0.000 1.451 566 H HN 0.235 nan 8.280 nan 0.000 0.430 567 L N -0.343 120.974 121.223 0.155 0.000 2.354 567 L HA 0.545 4.885 4.340 -0.000 0.000 0.264 567 L C 0.587 177.551 176.870 0.157 0.000 1.008 567 L CA -1.268 53.659 54.840 0.146 0.000 0.819 567 L CB 2.467 44.608 42.059 0.136 0.000 1.339 567 L HN -0.139 nan 8.230 nan 0.000 0.420 568 V N 2.367 122.346 119.914 0.109 0.000 2.488 568 V HA 0.204 4.324 4.120 -0.000 0.000 0.277 568 V C -1.908 174.206 176.094 0.034 0.000 1.046 568 V CA -1.247 61.085 62.300 0.053 0.000 0.986 568 V CB 0.941 32.776 31.823 0.021 0.000 0.989 568 V HN 0.608 nan 8.190 nan 0.000 0.475 569 P HA 0.264 nan 4.420 nan 0.000 0.266 569 P C -0.728 176.432 177.300 -0.234 0.000 1.195 569 P CA -0.129 62.690 63.100 -0.469 0.000 0.768 569 P CB 0.265 31.476 31.700 -0.816 0.000 0.838 570 R N 2.157 122.564 120.500 -0.155 0.000 2.531 570 R HA 0.417 4.757 4.340 -0.000 0.000 0.293 570 R C -1.380 174.906 176.300 -0.023 0.000 1.124 570 R CA -0.666 55.399 56.100 -0.059 0.000 0.945 570 R CB 0.432 30.735 30.300 0.005 0.000 1.195 570 R HN 0.240 nan 8.270 nan 0.000 0.433 571 L N 3.917 125.111 121.223 -0.048 0.000 2.312 571 L HA 0.413 4.753 4.340 -0.000 0.000 0.287 571 L C -0.508 176.366 176.870 0.007 0.000 1.091 571 L CA -1.004 53.829 54.840 -0.011 0.000 0.846 571 L CB 1.275 43.316 42.059 -0.031 0.000 1.219 571 L HN 0.411 nan 8.230 nan 0.000 0.439 572 V N 4.520 124.450 119.914 0.026 0.000 2.448 572 V HA 0.269 4.389 4.120 -0.000 0.000 0.295 572 V C -0.012 176.104 176.094 0.037 0.000 1.025 572 V CA -0.671 61.643 62.300 0.023 0.000 0.859 572 V CB 2.359 34.191 31.823 0.016 0.000 0.988 572 V HN 0.456 nan 8.190 nan 0.000 0.431 573 L N 5.335 126.586 121.223 0.047 0.000 2.315 573 L HA 0.344 4.684 4.340 -0.000 0.000 0.283 573 L C 0.813 177.725 176.870 0.070 0.000 1.089 573 L CA 0.405 55.301 54.840 0.094 0.000 0.833 573 L CB 0.876 42.991 42.059 0.094 0.000 1.170 573 L HN 0.605 nan 8.230 nan 0.000 0.442 574 Q N 5.380 125.194 119.800 0.023 0.000 3.151 574 Q HA 0.030 4.370 4.340 -0.000 0.000 0.277 574 Q C 1.150 176.992 176.000 -0.263 0.000 1.343 574 Q CA 0.213 55.898 55.803 -0.197 0.000 0.925 574 Q CB -0.368 28.151 28.738 -0.365 0.000 1.771 574 Q HN 0.711 nan 8.270 nan 0.000 0.514 575 R N 0.509 121.009 120.500 0.001 0.000 2.133 575 R HA -0.270 4.069 4.340 -0.000 0.000 0.245 575 R C 1.889 178.237 176.300 0.080 0.000 1.137 575 R CA 1.918 58.070 56.100 0.087 0.000 0.947 575 R CB -0.061 30.270 30.300 0.051 0.000 0.865 575 R HN 0.327 nan 8.270 nan 0.000 0.437 576 E N 0.957 121.173 120.200 0.028 0.000 2.049 576 E HA -0.217 4.133 4.350 -0.000 0.000 0.198 576 E C 1.747 178.422 176.600 0.125 0.000 1.007 576 E CA 1.692 58.143 56.400 0.085 0.000 0.809 576 E CB 0.047 29.763 29.700 0.027 0.000 0.749 576 E HN 0.037 nan 8.360 nan 0.000 0.450 577 K N -0.207 120.172 120.400 -0.035 0.000 2.026 577 K HA -0.141 4.178 4.320 -0.000 0.000 0.208 577 K C 2.218 178.860 176.600 0.071 0.000 1.048 577 K CA 1.593 57.850 56.287 -0.051 0.000 0.929 577 K CB -0.733 31.638 32.500 -0.216 0.000 0.713 577 K HN 0.426 nan 8.250 nan 0.000 0.439 578 H N -0.463 118.707 119.070 0.166 0.000 2.387 578 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 578 H C 2.015 177.512 175.328 0.283 0.000 1.090 578 H CA 1.054 57.228 56.048 0.210 0.000 1.332 578 H CB -0.650 29.200 29.762 0.147 0.000 1.386 578 H HN 0.144 nan 8.280 nan 0.000 0.516 579 F N 1.769 121.852 119.950 0.223 0.000 2.095 579 F HA -0.235 4.291 4.527 -0.000 0.000 0.298 579 F C 2.874 178.768 175.800 0.157 0.000 1.104 579 F CA 1.838 59.929 58.000 0.152 0.000 1.232 579 F CB -0.547 38.511 39.000 0.097 0.000 0.987 579 F HN 0.227 nan 8.300 nan 0.000 0.475 580 H N -1.099 117.966 119.070 -0.008 0.000 2.353 580 H HA -0.261 4.295 4.556 -0.000 0.000 0.300 580 H C 2.227 177.541 175.328 -0.023 0.000 1.090 580 H CA 2.199 58.180 56.048 -0.112 0.000 1.327 580 H CB -1.048 28.732 29.762 0.030 0.000 1.383 580 H HN 0.437 nan 8.280 nan 0.000 0.508 581 Y N 1.419 121.748 120.300 0.048 0.000 2.128 581 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 581 Y C 2.622 178.574 175.900 0.088 0.000 1.154 581 Y CA 1.818 59.963 58.100 0.075 0.000 1.149 581 Y CB -0.694 37.849 38.460 0.138 0.000 0.976 581 Y HN 0.148 nan 8.280 nan 0.000 0.505 582 L N 0.208 121.436 121.223 0.008 0.000 2.023 582 L HA -0.191 4.149 4.340 -0.000 0.000 0.205 582 L C 2.639 179.325 176.870 -0.306 0.000 1.073 582 L CA 1.845 56.617 54.840 -0.113 0.000 0.745 582 L CB -0.758 41.298 42.059 -0.005 0.000 0.900 582 L HN 0.092 nan 8.230 nan 0.000 0.435 583 K N 0.646 120.774 120.400 -0.453 0.000 2.059 583 K HA -0.290 4.030 4.320 -0.000 0.000 0.212 583 K C 2.362 178.719 176.600 -0.404 0.000 1.050 583 K CA 1.976 57.948 56.287 -0.526 0.000 0.927 583 K CB -0.094 31.884 32.500 -0.869 0.000 0.714 583 K HN 0.134 nan 8.250 nan 0.000 0.447 584 R N -0.361 119.883 120.500 -0.426 0.000 2.062 584 R HA -0.062 4.278 4.340 -0.000 0.000 0.229 584 R C 2.395 178.513 176.300 -0.304 0.000 1.128 584 R CA 1.550 57.446 56.100 -0.340 0.000 0.960 584 R CB -0.616 29.468 30.300 -0.361 0.000 0.855 584 R HN 0.376 nan 8.270 nan 0.000 0.432 585 G N 1.400 109.993 108.800 -0.346 0.000 2.450 585 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.220 585 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.220 585 G C 1.277 175.823 174.900 -0.590 0.000 1.130 585 G CA 0.707 45.484 45.100 -0.539 0.000 0.760 585 G HN 0.328 nan 8.290 nan 0.000 0.557 586 L N -0.233 120.699 121.223 -0.486 0.000 2.265 586 L HA 0.144 4.484 4.340 -0.000 0.000 0.215 586 L C 2.462 179.139 176.870 -0.321 0.000 1.117 586 L CA 1.675 56.282 54.840 -0.388 0.000 0.782 586 L CB -0.195 41.688 42.059 -0.292 0.000 0.914 586 L HN 0.170 nan 8.230 nan 0.000 0.441 587 R N -1.377 118.947 120.500 -0.293 0.000 2.164 587 R HA 0.274 4.614 4.340 -0.000 0.000 0.198 587 R C 0.250 176.415 176.300 -0.226 0.000 1.028 587 R CA 0.368 56.325 56.100 -0.237 0.000 1.083 587 R CB 0.325 30.512 30.300 -0.188 0.000 1.026 587 R HN 0.448 nan 8.270 nan 0.000 0.514 588 Q N -0.132 119.536 119.800 -0.220 0.000 2.340 588 Q HA 0.459 4.799 4.340 -0.000 0.000 0.276 588 Q C -1.832 174.075 176.000 -0.155 0.000 1.048 588 Q CA -0.647 55.056 55.803 -0.166 0.000 0.832 588 Q CB 1.753 30.425 28.738 -0.110 0.000 1.373 588 Q HN 0.067 nan 8.270 nan 0.000 0.409 589 L N 1.475 122.632 121.223 -0.110 0.000 2.354 589 L HA 0.607 4.947 4.340 -0.000 0.000 0.264 589 L C 0.396 177.313 176.870 0.079 0.000 1.008 589 L CA -0.913 53.899 54.840 -0.047 0.000 0.819 589 L CB 2.143 44.114 42.059 -0.147 0.000 1.339 589 L HN 0.797 nan 8.230 nan 0.000 0.420 590 T N -3.520 111.143 114.554 0.182 0.000 2.726 590 T HA 0.058 4.407 4.350 -0.000 0.000 0.294 590 T C 0.720 175.539 174.700 0.198 0.000 1.013 590 T CA -0.160 62.044 62.100 0.173 0.000 0.996 590 T CB 0.556 69.532 68.868 0.181 0.000 1.016 590 T HN 0.745 nan 8.240 nan 0.000 0.529 591 D N -0.509 119.970 120.400 0.132 0.000 2.392 591 D HA 0.053 4.693 4.640 -0.000 0.000 0.228 591 D C 1.827 178.190 176.300 0.104 0.000 1.003 591 D CA 0.715 54.781 54.000 0.109 0.000 0.917 591 D CB -0.694 40.148 40.800 0.069 0.000 0.890 591 D HN 0.658 nan 8.370 nan 0.000 0.532 592 A N -0.371 122.525 122.820 0.126 0.000 2.067 592 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 592 A C 1.063 178.572 177.584 -0.125 0.000 1.158 592 A CA 0.503 52.547 52.037 0.010 0.000 0.661 592 A CB -0.803 18.206 19.000 0.016 0.000 0.801 592 A HN 0.324 nan 8.150 nan 0.000 0.452 593 Y N 0.217 120.583 120.300 0.110 0.000 2.532 593 Y HA 0.162 4.712 4.550 -0.000 0.000 0.283 593 Y C 1.737 177.696 175.900 0.099 0.000 1.181 593 Y CA -0.062 58.116 58.100 0.130 0.000 1.256 593 Y CB -0.096 38.459 38.460 0.159 0.000 1.112 593 Y HN 0.441 nan 8.280 nan 0.000 0.521 594 E N -0.444 119.831 120.200 0.125 0.000 2.204 594 E HA -0.212 4.137 4.350 -0.000 0.000 0.195 594 E C 2.008 178.655 176.600 0.078 0.000 0.990 594 E CA 1.425 57.882 56.400 0.095 0.000 0.821 594 E CB -0.171 29.566 29.700 0.062 0.000 0.750 594 E HN 0.652 nan 8.360 nan 0.000 0.477 595 C N -0.604 118.726 119.300 0.050 0.000 2.491 595 C HA 0.100 4.560 4.460 -0.000 0.000 0.277 595 C C 1.713 176.751 174.990 0.080 0.000 1.455 595 C CA -0.153 58.889 59.018 0.040 0.000 1.758 595 C CB -0.943 26.796 27.740 -0.002 0.000 1.745 595 C HN 0.212 nan 8.230 nan 0.000 0.558 596 L N 0.764 122.074 121.223 0.145 0.000 3.066 596 L HA 0.236 4.576 4.340 -0.000 0.000 0.265 596 L C 1.577 178.556 176.870 0.182 0.000 1.232 596 L CA 0.179 55.141 54.840 0.203 0.000 1.031 596 L CB -0.243 42.036 42.059 0.368 0.000 1.379 596 L HN 0.156 nan 8.230 nan 0.000 0.563 597 D N 1.412 121.894 120.400 0.136 0.000 2.309 597 D HA -0.137 4.503 4.640 -0.000 0.000 0.212 597 D C 1.690 178.051 176.300 0.102 0.000 0.968 597 D CA 1.108 55.177 54.000 0.115 0.000 0.882 597 D CB 0.484 41.336 40.800 0.087 0.000 0.918 597 D HN 0.287 nan 8.370 nan 0.000 0.503 598 A N -0.913 121.958 122.820 0.087 0.000 2.545 598 A HA 0.403 4.723 4.320 -0.000 0.000 0.277 598 A C 0.755 178.389 177.584 0.084 0.000 1.301 598 A CA -0.264 51.809 52.037 0.061 0.000 0.935 598 A CB 0.413 19.426 19.000 0.021 0.000 1.093 598 A HN 0.050 nan 8.150 nan 0.000 0.519 599 S N -0.805 114.981 115.700 0.142 0.000 3.025 599 S HA 0.170 4.640 4.470 -0.000 0.000 0.251 599 S C 1.044 175.770 174.600 0.209 0.000 0.954 599 S CA -0.507 57.831 58.200 0.231 0.000 1.092 599 S CB 0.074 63.395 63.200 0.201 0.000 1.079 599 S HN 0.587 nan 8.310 nan 0.000 0.543 600 R N 1.786 122.393 120.500 0.179 0.000 2.120 600 R HA -0.037 4.303 4.340 -0.000 0.000 0.234 600 R C -1.164 175.223 176.300 0.145 0.000 1.123 600 R CA 1.218 57.428 56.100 0.184 0.000 0.975 600 R CB -1.168 29.315 30.300 0.305 0.000 0.866 600 R HN 0.298 nan 8.270 nan 0.000 0.446 601 P HA -0.140 nan 4.420 nan 0.000 0.221 601 P C 0.311 177.481 177.300 -0.215 0.000 1.150 601 P CA 0.988 64.030 63.100 -0.095 0.000 0.800 601 P CB -0.028 31.529 31.700 -0.238 0.000 0.787 602 W N -0.732 120.391 121.300 -0.295 0.000 2.388 602 W HA -0.030 4.630 4.660 -0.000 0.000 0.294 602 W C 2.079 178.100 176.519 -0.831 0.000 1.212 602 W CA 0.542 57.473 57.345 -0.689 0.000 1.271 602 W CB -0.926 27.914 29.460 -1.032 0.000 1.126 602 W HN -0.138 nan 8.180 nan 0.000 0.535 603 L N -1.012 120.085 121.223 -0.209 0.000 2.046 603 L HA -0.275 4.065 4.340 -0.000 0.000 0.208 603 L C 2.362 179.163 176.870 -0.114 0.000 1.077 603 L CA 1.072 55.880 54.840 -0.053 0.000 0.747 603 L CB -1.039 40.984 42.059 -0.060 0.000 0.896 603 L HN 0.060 nan 8.230 nan 0.000 0.432 604 C N -1.233 118.002 119.300 -0.109 0.000 2.436 604 C HA -0.236 4.224 4.460 -0.000 0.000 0.277 604 C C 2.751 177.694 174.990 -0.078 0.000 1.241 604 C CA 0.729 59.687 59.018 -0.101 0.000 1.721 604 C CB -0.832 26.879 27.740 -0.048 0.000 2.043 604 C HN 0.564 nan 8.230 nan 0.000 0.472 605 Y N 0.679 120.861 120.300 -0.198 0.000 2.114 605 Y HA -0.188 4.362 4.550 -0.000 0.000 0.284 605 Y C 2.337 178.260 175.900 0.039 0.000 1.143 605 Y CA 1.458 59.459 58.100 -0.166 0.000 1.135 605 Y CB -0.762 37.502 38.460 -0.327 0.000 0.980 605 Y HN 0.377 nan 8.280 nan 0.000 0.499 606 W N 0.685 121.814 121.300 -0.285 0.000 2.318 606 W HA -0.251 4.409 4.660 -0.000 0.000 0.313 606 W C 2.524 178.869 176.519 -0.290 0.000 1.221 606 W CA 1.639 58.767 57.345 -0.360 0.000 1.266 606 W CB -1.332 28.147 29.460 0.032 0.000 1.150 606 W HN 0.205 nan 8.180 nan 0.000 0.496 607 I N -0.278 120.304 120.570 0.021 0.000 2.163 607 I HA -0.313 3.856 4.170 -0.000 0.000 0.240 607 I C 2.495 178.552 176.117 -0.099 0.000 1.081 607 I CA 1.147 62.395 61.300 -0.087 0.000 1.353 607 I CB -0.922 36.915 38.000 -0.273 0.000 1.054 607 I HN -0.164 nan 8.210 nan 0.000 0.407 608 L N -0.035 121.123 121.223 -0.108 0.000 2.042 608 L HA -0.285 4.055 4.340 -0.000 0.000 0.210 608 L C 2.756 179.596 176.870 -0.050 0.000 1.076 608 L CA 1.580 56.377 54.840 -0.072 0.000 0.749 608 L CB -0.850 41.178 42.059 -0.052 0.000 0.893 608 L HN 0.360 nan 8.230 nan 0.000 0.432 609 H N -0.498 118.432 119.070 -0.234 0.000 2.389 609 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 609 H C 2.377 177.600 175.328 -0.174 0.000 1.081 609 H CA 1.588 57.493 56.048 -0.238 0.000 1.345 609 H CB 0.122 29.590 29.762 -0.491 0.000 1.393 609 H HN 0.121 nan 8.280 nan 0.000 0.520 610 S N -0.051 115.508 115.700 -0.235 0.000 2.368 610 S HA -0.096 4.374 4.470 -0.000 0.000 0.225 610 S C 2.293 176.822 174.600 -0.119 0.000 1.030 610 S CA 1.195 59.267 58.200 -0.212 0.000 0.999 610 S CB -0.265 62.885 63.200 -0.084 0.000 0.844 610 S HN 0.365 nan 8.310 nan 0.000 0.459 611 L N 1.251 122.443 121.223 -0.051 0.000 2.083 611 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 611 L C 2.717 179.578 176.870 -0.016 0.000 1.083 611 L CA 1.424 56.280 54.840 0.027 0.000 0.752 611 L CB -0.509 41.580 42.059 0.050 0.000 0.899 611 L HN 0.422 nan 8.230 nan 0.000 0.433 612 E N 0.797 120.956 120.200 -0.067 0.000 2.051 612 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 612 E C 2.360 178.902 176.600 -0.095 0.000 0.991 612 E CA 1.211 57.574 56.400 -0.062 0.000 0.799 612 E CB -0.080 29.602 29.700 -0.030 0.000 0.748 612 E HN 0.448 nan 8.360 nan 0.000 0.449 613 L N 0.562 121.662 121.223 -0.206 0.000 2.083 613 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 613 L C 2.412 179.242 176.870 -0.067 0.000 1.083 613 L CA 0.820 55.559 54.840 -0.169 0.000 0.752 613 L CB -0.226 41.662 42.059 -0.284 0.000 0.899 613 L HN 0.270 nan 8.230 nan 0.000 0.433 614 L N -0.536 120.657 121.223 -0.049 0.000 2.610 614 L HA -0.043 4.297 4.340 -0.000 0.000 0.232 614 L C 0.334 177.195 176.870 -0.014 0.000 1.149 614 L CA 0.001 54.841 54.840 -0.000 0.000 0.872 614 L CB -0.447 41.645 42.059 0.055 0.000 0.992 614 L HN 0.273 nan 8.230 nan 0.000 0.447 615 D N 1.184 121.570 120.400 -0.023 0.000 2.699 615 D HA -0.178 4.462 4.640 -0.000 0.000 0.239 615 D C -0.092 176.180 176.300 -0.047 0.000 1.136 615 D CA 0.631 54.614 54.000 -0.029 0.000 0.668 615 D CB -0.305 40.479 40.800 -0.028 0.000 1.060 615 D HN 0.232 nan 8.370 nan 0.000 0.429 616 E N 0.969 121.153 120.200 -0.026 0.000 2.151 616 E HA 0.372 4.722 4.350 -0.000 0.000 0.275 616 E C -1.939 174.670 176.600 0.015 0.000 0.936 616 E CA -1.661 54.719 56.400 -0.033 0.000 0.777 616 E CB 1.230 30.973 29.700 0.071 0.000 1.108 616 E HN 0.264 nan 8.360 nan 0.000 0.401 617 P HA 0.143 nan 4.420 nan 0.000 0.269 617 P C -0.235 177.085 177.300 0.033 0.000 1.209 617 P CA -0.256 62.848 63.100 0.007 0.000 0.776 617 P CB 0.846 32.541 31.700 -0.009 0.000 0.876 618 I N 3.971 124.545 120.570 0.008 0.000 2.307 618 I HA 0.245 4.415 4.170 -0.000 0.000 0.287 618 I C -2.047 174.063 176.117 -0.012 0.000 1.054 618 I CA -2.936 58.363 61.300 -0.002 0.000 1.218 618 I CB -0.113 37.873 38.000 -0.023 0.000 1.398 618 I HN 0.142 nan 8.210 nan 0.000 0.475 619 P HA 0.029 nan 4.420 nan 0.000 0.262 619 P C 0.803 178.087 177.300 -0.027 0.000 1.182 619 P CA -0.137 62.956 63.100 -0.012 0.000 0.761 619 P CB 0.612 32.309 31.700 -0.005 0.000 0.795 620 Q N 2.014 121.796 119.800 -0.030 0.000 2.297 620 Q HA -0.128 4.212 4.340 -0.000 0.000 0.208 620 Q C 1.764 177.743 176.000 -0.036 0.000 0.981 620 Q CA 1.367 57.148 55.803 -0.038 0.000 0.876 620 Q CB -0.364 28.352 28.738 -0.037 0.000 0.921 620 Q HN 0.614 nan 8.270 nan 0.000 0.446 621 I N -0.540 120.011 120.570 -0.031 0.000 2.202 621 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 621 I C 2.137 178.231 176.117 -0.038 0.000 1.091 621 I CA 0.716 61.997 61.300 -0.031 0.000 1.368 621 I CB -0.212 37.771 38.000 -0.029 0.000 1.058 621 I HN -0.011 nan 8.210 nan 0.000 0.410 622 V N 1.099 120.987 119.914 -0.043 0.000 2.261 622 V HA -0.291 3.828 4.120 -0.000 0.000 0.246 622 V C 2.761 178.824 176.094 -0.052 0.000 1.047 622 V CA 1.974 64.241 62.300 -0.055 0.000 1.015 622 V CB -1.159 30.629 31.823 -0.059 0.000 0.642 622 V HN 0.482 nan 8.190 nan 0.000 0.446 623 A N -0.443 122.346 122.820 -0.052 0.000 1.884 623 A HA -0.355 3.965 4.320 -0.000 0.000 0.219 623 A C 2.480 180.033 177.584 -0.051 0.000 1.197 623 A CA 3.051 55.053 52.037 -0.059 0.000 0.637 623 A CB -1.288 17.671 19.000 -0.069 0.000 0.827 623 A HN 0.483 nan 8.150 nan 0.000 0.450 624 T N -1.141 113.386 114.554 -0.044 0.000 2.788 624 T HA -0.142 4.207 4.350 -0.000 0.000 0.268 624 T C 1.517 176.209 174.700 -0.014 0.000 1.044 624 T CA 1.862 63.943 62.100 -0.032 0.000 1.139 624 T CB -0.560 68.291 68.868 -0.029 0.000 0.867 624 T HN 0.461 nan 8.240 nan 0.000 0.454 625 D N 0.308 120.698 120.400 -0.017 0.000 2.178 625 D HA -0.010 4.630 4.640 -0.000 0.000 0.202 625 D C 2.182 178.499 176.300 0.029 0.000 0.974 625 D CA 0.576 54.574 54.000 -0.003 0.000 0.841 625 D CB -0.301 40.480 40.800 -0.032 0.000 0.953 625 D HN 0.300 nan 8.370 nan 0.000 0.478 626 V N 0.352 120.271 119.914 0.008 0.000 2.307 626 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 626 V C 2.647 178.781 176.094 0.067 0.000 1.045 626 V CA 1.170 63.495 62.300 0.042 0.000 1.024 626 V CB -0.468 31.345 31.823 -0.015 0.000 0.651 626 V HN 0.290 nan 8.190 nan 0.000 0.449 627 C N -0.355 118.953 119.300 0.014 0.000 2.413 627 C HA -0.234 4.226 4.460 -0.000 0.000 0.276 627 C C 2.862 177.872 174.990 0.034 0.000 1.236 627 C CA 1.251 60.273 59.018 0.006 0.000 1.735 627 C CB -1.163 26.567 27.740 -0.017 0.000 2.031 627 C HN 0.606 nan 8.230 nan 0.000 0.474 628 Q N -0.822 119.007 119.800 0.048 0.000 2.124 628 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 628 Q C 2.031 178.083 176.000 0.087 0.000 0.977 628 Q CA 1.603 57.439 55.803 0.056 0.000 0.850 628 Q CB -0.345 28.424 28.738 0.052 0.000 0.901 628 Q HN 0.778 nan 8.270 nan 0.000 0.429 629 F N 1.120 121.058 119.950 -0.020 0.000 2.146 629 F HA -0.122 4.405 4.527 -0.000 0.000 0.298 629 F C 1.692 177.495 175.800 0.006 0.000 1.096 629 F CA 1.129 59.118 58.000 -0.018 0.000 1.275 629 F CB -0.164 38.811 39.000 -0.042 0.000 1.008 629 F HN -0.053 nan 8.300 nan 0.000 0.480 630 L N -0.016 121.099 121.223 -0.180 0.000 2.191 630 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 630 L C 2.426 179.292 176.870 -0.006 0.000 1.103 630 L CA 1.531 56.244 54.840 -0.213 0.000 0.769 630 L CB -0.756 41.218 42.059 -0.141 0.000 0.908 630 L HN 0.254 nan 8.230 nan 0.000 0.438 631 E N 0.539 120.737 120.200 -0.003 0.000 2.106 631 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 631 E C 2.334 178.893 176.600 -0.068 0.000 0.984 631 E CA 0.827 57.236 56.400 0.015 0.000 0.806 631 E CB 0.060 29.767 29.700 0.011 0.000 0.750 631 E HN 0.471 nan 8.360 nan 0.000 0.458 632 L N -0.067 121.081 121.223 -0.125 0.000 2.201 632 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 632 L C 2.305 179.059 176.870 -0.193 0.000 1.105 632 L CA 0.412 55.167 54.840 -0.141 0.000 0.775 632 L CB -0.092 41.898 42.059 -0.116 0.000 0.913 632 L HN 0.343 nan 8.230 nan 0.000 0.440 633 C N -0.981 118.160 119.300 -0.265 0.000 2.514 633 C HA -0.028 4.432 4.460 -0.000 0.000 0.271 633 C C 1.528 176.458 174.990 -0.100 0.000 1.399 633 C CA -0.409 58.491 59.018 -0.197 0.000 1.765 633 C CB -0.810 26.780 27.740 -0.251 0.000 1.893 633 C HN 0.405 nan 8.230 nan 0.000 0.531 634 Q N 1.513 121.208 119.800 -0.175 0.000 2.332 634 Q HA 0.177 4.517 4.340 -0.000 0.000 0.263 634 Q C 0.249 176.035 176.000 -0.356 0.000 0.979 634 Q CA 0.161 55.642 55.803 -0.536 0.000 0.885 634 Q CB 0.643 28.972 28.738 -0.681 0.000 1.218 634 Q HN 0.452 nan 8.270 nan 0.000 0.405 635 S N 3.488 118.954 115.700 -0.391 0.000 2.586 635 S HA 0.285 4.755 4.470 -0.000 0.000 0.274 635 S C -1.876 172.598 174.600 -0.209 0.000 1.281 635 S CA -1.507 56.546 58.200 -0.245 0.000 1.035 635 S CB 0.824 63.876 63.200 -0.247 0.000 0.962 635 S HN 0.569 nan 8.310 nan 0.000 0.512 636 P HA 0.004 nan 4.420 nan 0.000 0.220 636 P C 0.226 177.480 177.300 -0.078 0.000 1.148 636 P CA 0.850 63.897 63.100 -0.087 0.000 0.803 636 P CB 0.093 31.766 31.700 -0.046 0.000 0.782 637 D N -1.168 119.186 120.400 -0.076 0.000 2.347 637 D HA 0.213 4.853 4.640 -0.000 0.000 0.213 637 D C 1.159 177.423 176.300 -0.059 0.000 0.985 637 D CA 0.950 54.926 54.000 -0.039 0.000 0.879 637 D CB -0.093 40.709 40.800 0.003 0.000 0.919 637 D HN 0.130 nan 8.370 nan 0.000 0.526 638 G N -0.995 107.694 108.800 -0.185 0.000 2.576 638 G HA2 0.461 4.421 3.960 -0.000 0.000 0.686 638 G HA3 0.461 4.421 3.960 -0.000 0.000 0.686 638 G C 0.148 174.732 174.900 -0.527 0.000 1.242 638 G CA -0.403 44.562 45.100 -0.224 0.000 0.819 638 G HN 0.696 nan 8.290 nan 0.000 0.655 639 G N -0.883 107.637 108.800 -0.467 0.000 2.795 639 G HA2 0.352 4.312 3.960 -0.000 0.000 0.664 639 G HA3 0.352 4.312 3.960 -0.000 0.000 0.664 639 G C -0.482 174.056 174.900 -0.603 0.000 1.381 639 G CA 0.093 44.906 45.100 -0.479 0.000 0.853 639 G HN 1.726 nan 8.290 nan 0.000 0.545 640 F N 0.397 120.223 119.950 -0.205 0.000 2.522 640 F HA 0.716 5.243 4.527 -0.000 0.000 0.324 640 F C 1.137 176.873 175.800 -0.107 0.000 1.077 640 F CA 0.234 58.137 58.000 -0.162 0.000 0.944 640 F CB 2.083 40.990 39.000 -0.155 0.000 1.175 640 F HN 0.804 nan 8.300 nan 0.000 0.468 641 G N -0.117 108.725 108.800 0.069 0.000 2.552 641 G HA2 0.441 4.400 3.960 -0.000 0.000 0.318 641 G HA3 0.441 4.400 3.960 -0.000 0.000 0.318 641 G C 0.792 175.722 174.900 0.050 0.000 1.240 641 G CA -0.449 44.686 45.100 0.057 0.000 1.002 641 G HN 0.899 nan 8.290 nan 0.000 0.493 642 G N -1.723 107.103 108.800 0.043 0.000 2.744 642 G HA2 0.450 4.410 3.960 -0.000 0.000 0.211 642 G HA3 0.450 4.410 3.960 -0.000 0.000 0.211 642 G C 0.666 175.604 174.900 0.063 0.000 1.143 642 G CA 0.948 46.081 45.100 0.055 0.000 0.788 642 G HN 1.239 nan 8.290 nan 0.000 0.534 643 G N -1.321 107.489 108.800 0.017 0.000 2.451 643 G HA2 0.483 4.443 3.960 -0.000 0.000 0.292 643 G HA3 0.483 4.443 3.960 -0.000 0.000 0.292 643 G C -3.445 171.427 174.900 -0.047 0.000 1.427 643 G CA -0.974 44.143 45.100 0.029 0.000 0.792 643 G HN -0.102 nan 8.290 nan 0.000 0.498 644 P HA 0.330 nan 4.420 nan 0.000 0.264 644 P C 1.022 178.290 177.300 -0.053 0.000 1.193 644 P CA 1.907 64.970 63.100 -0.061 0.000 0.763 644 P CB 1.025 32.723 31.700 -0.003 0.000 0.810 645 G N 1.744 110.496 108.800 -0.080 0.000 2.179 645 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.260 645 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.260 645 G C 0.090 174.892 174.900 -0.164 0.000 0.977 645 G CA -0.255 44.783 45.100 -0.103 0.000 0.641 645 G HN 0.566 nan 8.290 nan 0.000 0.533 646 Q N -0.573 119.150 119.800 -0.128 0.000 2.227 646 Q HA 0.561 4.901 4.340 -0.000 0.000 0.245 646 Q C -0.035 175.913 176.000 -0.087 0.000 0.926 646 Q CA -0.763 54.951 55.803 -0.148 0.000 0.895 646 Q CB 0.963 29.667 28.738 -0.057 0.000 1.230 646 Q HN 0.467 nan 8.270 nan 0.000 0.450 647 Y N 2.126 122.430 120.300 0.007 0.000 2.550 647 Y HA 0.040 4.590 4.550 -0.000 0.000 0.343 647 Y C -1.548 174.359 175.900 0.012 0.000 1.245 647 Y CA -1.684 56.426 58.100 0.016 0.000 1.462 647 Y CB 0.125 38.629 38.460 0.073 0.000 1.340 647 Y HN 0.440 nan 8.280 nan 0.000 0.604 648 P HA -0.025 nan 4.420 nan 0.000 0.269 648 P C -1.008 176.439 177.300 0.245 0.000 1.215 648 P CA 0.538 63.610 63.100 -0.046 0.000 0.780 648 P CB 1.060 32.391 31.700 -0.614 0.000 0.898 649 H N 1.479 120.658 119.070 0.182 0.000 3.085 649 H HA 0.173 4.729 4.556 -0.000 0.000 0.356 649 H C 0.617 176.148 175.328 0.338 0.000 1.178 649 H CA -0.547 55.690 56.048 0.316 0.000 1.214 649 H CB 1.421 31.281 29.762 0.164 0.000 1.881 649 H HN 0.201 nan 8.280 nan 0.000 0.538 650 L N 2.724 124.153 121.223 0.344 0.000 2.191 650 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 650 L C 2.458 179.578 176.870 0.417 0.000 1.103 650 L CA 1.497 56.538 54.840 0.334 0.000 0.769 650 L CB -0.387 41.761 42.059 0.148 0.000 0.908 650 L HN 0.670 nan 8.230 nan 0.000 0.438 651 A N 0.868 124.109 122.820 0.701 0.000 1.841 651 A HA -0.082 4.238 4.320 -0.000 0.000 0.214 651 A C -0.134 177.650 177.584 0.334 0.000 1.195 651 A CA 1.434 53.878 52.037 0.678 0.000 0.611 651 A CB -1.783 17.721 19.000 0.840 0.000 0.835 651 A HN 0.277 nan 8.150 nan 0.000 0.443 652 P HA -0.075 nan 4.420 nan 0.000 0.223 652 P C 1.207 178.421 177.300 -0.143 0.000 1.151 652 P CA 1.490 64.537 63.100 -0.089 0.000 0.787 652 P CB -0.290 31.447 31.700 0.063 0.000 0.788 653 T N -0.668 113.937 114.554 0.085 0.000 2.777 653 T HA -0.180 4.170 4.350 -0.000 0.000 0.266 653 T C 1.707 176.350 174.700 -0.095 0.000 1.040 653 T CA 1.214 63.392 62.100 0.130 0.000 1.141 653 T CB -1.059 67.981 68.868 0.286 0.000 0.868 653 T HN 0.106 nan 8.240 nan 0.000 0.444 654 Y N 2.109 122.282 120.300 -0.212 0.000 2.145 654 Y HA -0.023 4.527 4.550 -0.000 0.000 0.286 654 Y C 2.465 178.014 175.900 -0.586 0.000 1.145 654 Y CA 1.041 58.944 58.100 -0.328 0.000 1.148 654 Y CB -0.681 37.638 38.460 -0.235 0.000 0.981 654 Y HN 0.157 nan 8.280 nan 0.000 0.507 655 A N 0.884 123.145 122.820 -0.931 0.000 1.898 655 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 655 A C 2.442 179.534 177.584 -0.819 0.000 1.181 655 A CA 1.836 53.146 52.037 -1.212 0.000 0.620 655 A CB -1.546 16.534 19.000 -1.533 0.000 0.819 655 A HN 0.660 nan 8.150 nan 0.000 0.442 656 A N -0.421 121.955 122.820 -0.741 0.000 1.865 656 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 656 A C 2.238 179.392 177.584 -0.716 0.000 1.191 656 A CA 1.961 53.508 52.037 -0.817 0.000 0.623 656 A CB -1.108 17.023 19.000 -1.448 0.000 0.826 656 A HN 0.429 nan 8.150 nan 0.000 0.444 657 V N 0.817 120.338 119.914 -0.656 0.000 2.332 657 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 657 V C 2.367 178.237 176.094 -0.374 0.000 1.055 657 V CA 2.282 64.331 62.300 -0.419 0.000 1.038 657 V CB -1.085 30.556 31.823 -0.304 0.000 0.651 657 V HN 0.553 nan 8.190 nan 0.000 0.450 658 N N 0.311 118.676 118.700 -0.558 0.000 2.120 658 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 658 N C 1.858 177.242 175.510 -0.210 0.000 1.024 658 N CA 1.656 54.417 53.050 -0.480 0.000 0.852 658 N CB -0.554 37.355 38.487 -0.962 0.000 1.003 658 N HN 0.485 nan 8.380 nan 0.000 0.424 659 A N 0.933 123.626 122.820 -0.212 0.000 1.877 659 A HA -0.075 4.245 4.320 -0.000 0.000 0.216 659 A C 2.324 179.845 177.584 -0.104 0.000 1.186 659 A CA 1.023 53.008 52.037 -0.087 0.000 0.620 659 A CB -0.848 18.075 19.000 -0.128 0.000 0.822 659 A HN 0.258 nan 8.150 nan 0.000 0.443 660 L N -0.816 120.317 121.223 -0.150 0.000 2.079 660 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 660 L C 2.619 179.454 176.870 -0.057 0.000 1.081 660 L CA 1.235 56.013 54.840 -0.102 0.000 0.752 660 L CB -0.667 41.348 42.059 -0.073 0.000 0.896 660 L HN 0.497 nan 8.230 nan 0.000 0.433 661 C N -0.399 118.900 119.300 -0.002 0.000 2.446 661 C HA -0.040 4.419 4.460 -0.000 0.000 0.279 661 C C 2.693 177.695 174.990 0.021 0.000 1.366 661 C CA 0.105 59.177 59.018 0.090 0.000 1.763 661 C CB -0.523 27.250 27.740 0.056 0.000 1.929 661 C HN 0.429 nan 8.230 nan 0.000 0.509 662 I N 0.692 121.259 120.570 -0.005 0.000 2.315 662 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 662 I C 2.228 178.324 176.117 -0.035 0.000 1.117 662 I CA 1.623 62.931 61.300 0.013 0.000 1.404 662 I CB -0.274 37.754 38.000 0.047 0.000 1.071 662 I HN 0.307 nan 8.210 nan 0.000 0.419 663 I N 0.532 121.054 120.570 -0.081 0.000 2.252 663 I HA -0.142 4.027 4.170 -0.000 0.000 0.245 663 I C 1.877 177.874 176.117 -0.200 0.000 1.102 663 I CA 1.136 62.361 61.300 -0.126 0.000 1.385 663 I CB -0.738 37.178 38.000 -0.142 0.000 1.064 663 I HN 0.426 nan 8.210 nan 0.000 0.414 664 G N 1.889 110.511 108.800 -0.297 0.000 2.233 664 G HA2 -0.300 3.659 3.960 -0.000 0.000 0.270 664 G HA3 -0.300 3.659 3.960 -0.000 0.000 0.270 664 G C 0.460 174.903 174.900 -0.760 0.000 1.011 664 G CA 0.721 45.521 45.100 -0.500 0.000 0.762 664 G HN 0.518 nan 8.290 nan 0.000 0.511 665 T N -3.567 110.569 114.554 -0.696 0.000 2.881 665 T HA 0.639 4.989 4.350 -0.000 0.000 0.278 665 T C 1.123 175.422 174.700 -0.667 0.000 0.982 665 T CA 0.401 62.192 62.100 -0.515 0.000 0.989 665 T CB 1.924 70.620 68.868 -0.286 0.000 1.058 665 T HN 0.121 nan 8.240 nan 0.000 0.529 666 E N 0.192 120.188 120.200 -0.341 0.000 2.110 666 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 666 E C 1.988 178.500 176.600 -0.148 0.000 0.988 666 E CA 1.861 58.144 56.400 -0.195 0.000 0.804 666 E CB -0.279 29.383 29.700 -0.064 0.000 0.745 666 E HN 0.864 nan 8.360 nan 0.000 0.458 667 E N -0.373 119.740 120.200 -0.145 0.000 2.058 667 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 667 E C 1.958 178.506 176.600 -0.087 0.000 0.997 667 E CA 1.233 57.582 56.400 -0.085 0.000 0.801 667 E CB -0.286 29.367 29.700 -0.078 0.000 0.746 667 E HN 0.325 nan 8.360 nan 0.000 0.450 668 A N 0.513 123.219 122.820 -0.190 0.000 1.865 668 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 668 A C 2.055 179.627 177.584 -0.020 0.000 1.191 668 A CA 1.642 53.584 52.037 -0.158 0.000 0.623 668 A CB -1.256 17.573 19.000 -0.284 0.000 0.826 668 A HN 0.532 nan 8.150 nan 0.000 0.444 669 Y N 0.287 120.550 120.300 -0.062 0.000 2.165 669 Y HA -0.244 4.306 4.550 -0.000 0.000 0.286 669 Y C 2.342 178.338 175.900 0.160 0.000 1.155 669 Y CA 0.896 59.008 58.100 0.019 0.000 1.164 669 Y CB -0.283 37.892 38.460 -0.474 0.000 0.978 669 Y HN 0.322 nan 8.280 nan 0.000 0.513 670 N N -0.082 118.754 118.700 0.226 0.000 2.520 670 N HA -0.111 4.629 4.740 -0.000 0.000 0.185 670 N C 1.703 177.310 175.510 0.162 0.000 1.068 670 N CA 0.620 53.786 53.050 0.192 0.000 0.911 670 N CB -0.283 38.273 38.487 0.116 0.000 0.961 670 N HN 0.193 nan 8.380 nan 0.000 0.446 671 V N 1.459 121.466 119.914 0.155 0.000 2.358 671 V HA -0.098 4.022 4.120 -0.000 0.000 0.246 671 V C 1.163 177.368 176.094 0.184 0.000 1.047 671 V CA 0.743 63.129 62.300 0.144 0.000 1.035 671 V CB -0.199 31.709 31.823 0.140 0.000 0.658 671 V HN 0.200 nan 8.190 nan 0.000 0.452 672 I N 2.184 122.905 120.570 0.252 0.000 2.587 672 I HA 0.012 4.181 4.170 -0.000 0.000 0.284 672 I C 0.546 176.739 176.117 0.126 0.000 1.134 672 I CA 0.257 61.698 61.300 0.234 0.000 1.410 672 I CB -0.121 38.014 38.000 0.226 0.000 1.392 672 I HN 0.178 nan 8.210 nan 0.000 0.545 673 N N 7.229 125.943 118.700 0.024 0.000 2.482 673 N HA 0.126 4.865 4.740 -0.000 0.000 0.242 673 N C 0.955 176.468 175.510 0.005 0.000 1.100 673 N CA -0.049 53.003 53.050 0.002 0.000 0.946 673 N CB 0.540 38.990 38.487 -0.062 0.000 1.227 673 N HN 0.467 nan 8.380 nan 0.000 0.508 674 R N 2.106 122.628 120.500 0.037 0.000 2.096 674 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 674 R C 0.964 177.281 176.300 0.028 0.000 1.127 674 R CA 1.456 57.566 56.100 0.018 0.000 0.968 674 R CB 0.181 30.500 30.300 0.032 0.000 0.861 674 R HN 0.488 nan 8.270 nan 0.000 0.440 675 E N 0.653 120.877 120.200 0.040 0.000 2.051 675 E HA -0.133 4.217 4.350 -0.000 0.000 0.192 675 E C 1.840 178.466 176.600 0.043 0.000 0.991 675 E CA 1.072 57.500 56.400 0.046 0.000 0.799 675 E CB 0.045 29.769 29.700 0.041 0.000 0.748 675 E HN 0.039 nan 8.360 nan 0.000 0.449 676 K N 0.302 120.714 120.400 0.020 0.000 2.097 676 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 676 K C 2.115 178.743 176.600 0.048 0.000 1.050 676 K CA 0.484 56.781 56.287 0.017 0.000 0.938 676 K CB -0.541 31.938 32.500 -0.036 0.000 0.718 676 K HN 0.125 nan 8.250 nan 0.000 0.442 677 L N 1.428 122.666 121.223 0.024 0.000 2.012 677 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 677 L C 2.179 179.111 176.870 0.103 0.000 1.073 677 L CA 1.456 56.334 54.840 0.064 0.000 0.748 677 L CB -0.868 41.207 42.059 0.028 0.000 0.891 677 L HN 0.090 nan 8.230 nan 0.000 0.431 678 L N -0.556 120.704 121.223 0.061 0.000 2.046 678 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 678 L C 2.520 179.469 176.870 0.131 0.000 1.077 678 L CA 1.812 56.678 54.840 0.043 0.000 0.747 678 L CB -0.756 41.342 42.059 0.066 0.000 0.896 678 L HN 0.456 nan 8.230 nan 0.000 0.432 679 Q N -1.938 117.962 119.800 0.166 0.000 2.096 679 Q HA -0.277 4.063 4.340 -0.000 0.000 0.204 679 Q C 2.174 178.286 176.000 0.186 0.000 0.982 679 Q CA 2.133 58.048 55.803 0.188 0.000 0.850 679 Q CB -0.428 28.379 28.738 0.115 0.000 0.901 679 Q HN 0.624 nan 8.270 nan 0.000 0.422 680 Y N 1.229 121.553 120.300 0.040 0.000 2.097 680 Y HA -0.247 4.302 4.550 -0.000 0.000 0.282 680 Y C 1.802 177.730 175.900 0.046 0.000 1.152 680 Y CA 1.463 59.579 58.100 0.028 0.000 1.136 680 Y CB -0.394 38.068 38.460 0.004 0.000 0.975 680 Y HN 0.036 nan 8.280 nan 0.000 0.498 681 L N -1.357 119.827 121.223 -0.065 0.000 2.043 681 L HA -0.317 4.023 4.340 -0.000 0.000 0.212 681 L C 2.318 179.139 176.870 -0.082 0.000 1.075 681 L CA 1.922 56.682 54.840 -0.134 0.000 0.752 681 L CB -1.029 40.939 42.059 -0.153 0.000 0.891 681 L HN 0.273 nan 8.230 nan 0.000 0.432 682 Y N 0.331 120.587 120.300 -0.074 0.000 2.224 682 Y HA -0.270 4.280 4.550 -0.000 0.000 0.289 682 Y C 3.071 178.874 175.900 -0.161 0.000 1.146 682 Y CA 1.385 59.413 58.100 -0.120 0.000 1.182 682 Y CB -0.141 38.262 38.460 -0.095 0.000 0.983 682 Y HN 0.316 nan 8.280 nan 0.000 0.524 683 S N -0.327 115.376 115.700 0.006 0.000 2.474 683 S HA -0.115 4.355 4.470 -0.000 0.000 0.235 683 S C 1.467 175.975 174.600 -0.153 0.000 0.997 683 S CA 1.004 59.162 58.200 -0.070 0.000 0.949 683 S CB -0.601 62.570 63.200 -0.048 0.000 0.766 683 S HN 0.498 nan 8.310 nan 0.000 0.517 684 L N -0.399 120.701 121.223 -0.205 0.000 2.556 684 L HA 0.357 4.697 4.340 -0.000 0.000 0.226 684 L C 0.894 177.603 176.870 -0.269 0.000 1.089 684 L CA -0.257 54.459 54.840 -0.206 0.000 0.864 684 L CB -0.169 41.770 42.059 -0.199 0.000 1.067 684 L HN 0.099 nan 8.230 nan 0.000 0.477 685 K N 1.713 121.865 120.400 -0.414 0.000 2.451 685 K HA 0.037 4.357 4.320 -0.000 0.000 0.280 685 K C -0.161 176.134 176.600 -0.509 0.000 1.020 685 K CA 0.466 56.255 56.287 -0.830 0.000 1.008 685 K CB 0.434 32.509 32.500 -0.708 0.000 0.917 685 K HN -0.080 nan 8.250 nan 0.000 0.478 686 Q N 4.369 123.843 119.800 -0.544 0.000 2.241 686 Q HA 0.293 4.632 4.340 -0.000 0.000 0.262 686 Q C -1.794 174.042 176.000 -0.274 0.000 1.014 686 Q CA -2.230 53.368 55.803 -0.341 0.000 0.885 686 Q CB 0.766 29.310 28.738 -0.324 0.000 1.311 686 Q HN 0.435 nan 8.270 nan 0.000 0.461 687 P HA -0.134 nan 4.420 nan 0.000 0.218 687 P C 0.372 177.618 177.300 -0.089 0.000 1.149 687 P CA 1.239 64.268 63.100 -0.119 0.000 0.817 687 P CB 0.258 31.908 31.700 -0.083 0.000 0.785 688 D N -1.831 118.515 120.400 -0.089 0.000 2.363 688 D HA 0.059 4.699 4.640 -0.000 0.000 0.226 688 D C 1.423 177.727 176.300 0.007 0.000 1.020 688 D CA 0.753 54.751 54.000 -0.004 0.000 0.892 688 D CB -0.816 40.025 40.800 0.069 0.000 0.900 688 D HN 0.239 nan 8.370 nan 0.000 0.531 689 G N -0.222 108.504 108.800 -0.124 0.000 2.213 689 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.226 689 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.226 689 G C 0.490 175.237 174.900 -0.255 0.000 0.992 689 G CA 0.323 45.369 45.100 -0.090 0.000 0.632 689 G HN 0.803 nan 8.290 nan 0.000 0.511 690 S N -0.349 114.984 115.700 -0.612 0.000 2.686 690 S HA 0.841 5.311 4.470 -0.000 0.000 0.270 690 S C -0.317 173.954 174.600 -0.547 0.000 1.194 690 S CA -0.432 57.251 58.200 -0.861 0.000 0.990 690 S CB 1.490 63.750 63.200 -1.567 0.000 1.029 690 S HN 0.568 nan 8.310 nan 0.000 0.560 691 F N -0.617 119.057 119.950 -0.459 0.000 2.576 691 F HA 0.541 5.068 4.527 -0.000 0.000 0.313 691 F C -0.136 175.500 175.800 -0.274 0.000 1.078 691 F CA -1.056 56.766 58.000 -0.297 0.000 0.921 691 F CB 1.515 40.391 39.000 -0.206 0.000 1.232 691 F HN 0.454 nan 8.300 nan 0.000 0.459 692 L N 3.084 124.270 121.223 -0.062 0.000 2.439 692 L HA 0.213 4.553 4.340 -0.000 0.000 0.261 692 L C 1.219 178.039 176.870 -0.082 0.000 1.153 692 L CA -0.730 54.040 54.840 -0.118 0.000 0.808 692 L CB 0.580 42.530 42.059 -0.181 0.000 1.126 692 L HN 0.652 nan 8.230 nan 0.000 0.460 693 M N 0.385 119.928 119.600 -0.095 0.000 2.319 693 M HA 0.001 4.481 4.480 -0.000 0.000 0.265 693 M C 0.381 176.572 176.300 -0.181 0.000 1.068 693 M CA 1.236 56.465 55.300 -0.119 0.000 1.118 693 M CB -0.997 31.563 32.600 -0.068 0.000 1.395 693 M HN 0.811 nan 8.290 nan 0.000 0.435 694 H N -5.045 113.899 119.070 -0.210 0.000 2.950 694 H HA 0.448 5.004 4.556 -0.000 0.000 0.307 694 H C -0.910 174.398 175.328 -0.034 0.000 1.403 694 H CA -1.224 54.782 56.048 -0.069 0.000 1.145 694 H CB 0.515 30.265 29.762 -0.019 0.000 1.844 694 H HN -0.258 nan 8.280 nan 0.000 0.515 695 V N 1.631 121.540 119.914 -0.009 0.000 2.584 695 V HA 0.220 4.340 4.120 -0.000 0.000 0.303 695 V C 1.633 177.589 176.094 -0.230 0.000 1.035 695 V CA 1.750 63.985 62.300 -0.109 0.000 1.172 695 V CB 0.165 31.966 31.823 -0.036 0.000 0.896 695 V HN 1.393 nan 8.190 nan 0.000 0.486 696 G N 3.540 112.206 108.800 -0.223 0.000 2.168 696 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.257 696 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.257 696 G C 0.503 175.219 174.900 -0.306 0.000 0.997 696 G CA 0.285 45.272 45.100 -0.189 0.000 0.708 696 G HN 1.354 nan 8.290 nan 0.000 0.520 697 G N -0.789 107.657 108.800 -0.590 0.000 2.642 697 G HA2 0.682 4.641 3.960 -0.000 0.000 0.291 697 G HA3 0.682 4.641 3.960 -0.000 0.000 0.291 697 G C 0.219 174.983 174.900 -0.226 0.000 1.345 697 G CA 0.165 44.880 45.100 -0.641 0.000 1.043 697 G HN 0.645 nan 8.290 nan 0.000 0.528 698 E N -0.998 119.160 120.200 -0.069 0.000 2.345 698 E HA 0.392 4.742 4.350 -0.000 0.000 0.259 698 E C -1.044 175.543 176.600 -0.022 0.000 1.117 698 E CA -0.455 55.940 56.400 -0.007 0.000 0.913 698 E CB 1.545 31.286 29.700 0.069 0.000 1.057 698 E HN 0.094 nan 8.360 nan 0.000 0.432 699 V N 1.922 121.827 119.914 -0.016 0.000 2.487 699 V HA 0.396 4.516 4.120 -0.000 0.000 0.298 699 V C -0.752 175.359 176.094 0.028 0.000 1.028 699 V CA -0.386 61.888 62.300 -0.043 0.000 0.860 699 V CB 1.149 32.909 31.823 -0.106 0.000 0.991 699 V HN 0.932 nan 8.190 nan 0.000 0.427 700 D N 2.441 122.870 120.400 0.049 0.000 2.692 700 D HA 0.159 4.799 4.640 -0.000 0.000 0.290 700 D C 0.235 176.678 176.300 0.238 0.000 1.281 700 D CA -0.613 53.478 54.000 0.152 0.000 0.804 700 D CB 1.726 42.529 40.800 0.006 0.000 1.331 700 D HN 0.113 nan 8.370 nan 0.000 0.432 701 V N 0.515 120.630 119.914 0.335 0.000 2.828 701 V HA -0.189 3.931 4.120 -0.000 0.000 0.260 701 V C 1.996 178.277 176.094 0.311 0.000 1.101 701 V CA 1.826 64.374 62.300 0.414 0.000 1.123 701 V CB -0.685 31.304 31.823 0.277 0.000 0.704 701 V HN 0.559 nan 8.190 nan 0.000 0.493 702 R N 0.544 121.234 120.500 0.316 0.000 2.105 702 R HA -0.145 4.195 4.340 -0.000 0.000 0.239 702 R C 2.591 179.019 176.300 0.212 0.000 1.135 702 R CA 1.725 57.997 56.100 0.287 0.000 0.967 702 R CB -0.563 29.907 30.300 0.283 0.000 0.861 702 R HN 0.771 nan 8.270 nan 0.000 0.442 703 S N 0.634 116.420 115.700 0.144 0.000 2.382 703 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 703 S C 2.224 176.780 174.600 -0.073 0.000 1.027 703 S CA 0.979 59.203 58.200 0.041 0.000 0.991 703 S CB -0.179 63.040 63.200 0.032 0.000 0.823 703 S HN 0.367 nan 8.310 nan 0.000 0.469 704 A N 0.957 123.791 122.820 0.024 0.000 1.877 704 A HA -0.027 4.292 4.320 -0.000 0.000 0.216 704 A C 2.105 179.672 177.584 -0.029 0.000 1.186 704 A CA 1.592 53.630 52.037 0.003 0.000 0.620 704 A CB -1.337 17.781 19.000 0.197 0.000 0.822 704 A HN 0.686 nan 8.150 nan 0.000 0.443 705 Y N 0.279 120.550 120.300 -0.048 0.000 2.145 705 Y HA -0.259 4.291 4.550 -0.000 0.000 0.286 705 Y C 2.581 178.441 175.900 -0.066 0.000 1.145 705 Y CA 1.404 59.462 58.100 -0.070 0.000 1.148 705 Y CB -0.932 37.516 38.460 -0.020 0.000 0.981 705 Y HN 0.377 nan 8.280 nan 0.000 0.507 706 C N 0.519 119.694 119.300 -0.209 0.000 2.413 706 C HA -0.154 4.306 4.460 -0.000 0.000 0.276 706 C C 3.076 177.975 174.990 -0.153 0.000 1.248 706 C CA 1.266 60.155 59.018 -0.215 0.000 1.742 706 C CB -1.816 25.925 27.740 0.002 0.000 2.017 706 C HN 0.743 nan 8.230 nan 0.000 0.481 707 A N 0.539 123.233 122.820 -0.211 0.000 1.858 707 A HA 0.073 4.393 4.320 -0.000 0.000 0.216 707 A C 2.386 179.958 177.584 -0.020 0.000 1.190 707 A CA 2.121 54.024 52.037 -0.225 0.000 0.617 707 A CB -1.061 17.515 19.000 -0.707 0.000 0.827 707 A HN 0.578 nan 8.150 nan 0.000 0.443 708 A N -0.942 121.810 122.820 -0.113 0.000 1.972 708 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 708 A C 2.458 179.961 177.584 -0.134 0.000 1.169 708 A CA 2.176 54.064 52.037 -0.248 0.000 0.635 708 A CB -0.851 17.823 19.000 -0.542 0.000 0.810 708 A HN 0.554 nan 8.150 nan 0.000 0.446 709 S N -0.359 115.220 115.700 -0.202 0.000 2.345 709 S HA -0.145 4.325 4.470 -0.000 0.000 0.220 709 S C 2.079 176.724 174.600 0.075 0.000 1.031 709 S CA 2.083 60.252 58.200 -0.053 0.000 0.996 709 S CB -0.756 62.331 63.200 -0.187 0.000 0.882 709 S HN 0.957 nan 8.310 nan 0.000 0.445 710 V N 0.450 120.365 119.914 0.002 0.000 2.515 710 V HA 0.161 4.281 4.120 -0.000 0.000 0.250 710 V C 2.491 178.554 176.094 -0.051 0.000 1.058 710 V CA 1.569 63.846 62.300 -0.039 0.000 1.064 710 V CB -1.600 30.211 31.823 -0.021 0.000 0.675 710 V HN 0.497 nan 8.190 nan 0.000 0.461 711 A N 1.737 124.564 122.820 0.011 0.000 1.898 711 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 711 A C 2.590 180.191 177.584 0.029 0.000 1.181 711 A CA 2.408 54.466 52.037 0.035 0.000 0.620 711 A CB -0.952 18.153 19.000 0.175 0.000 0.819 711 A HN 0.899 nan 8.150 nan 0.000 0.442 712 S N 0.051 115.786 115.700 0.058 0.000 2.371 712 S HA -0.048 4.422 4.470 -0.000 0.000 0.224 712 S C 1.910 176.507 174.600 -0.005 0.000 1.029 712 S CA 1.298 59.535 58.200 0.062 0.000 0.978 712 S CB -0.749 62.526 63.200 0.125 0.000 0.833 712 S HN 0.418 nan 8.310 nan 0.000 0.466 713 L N 1.943 123.128 121.223 -0.064 0.000 2.046 713 L HA -0.054 4.286 4.340 -0.000 0.000 0.208 713 L C 2.923 179.638 176.870 -0.257 0.000 1.077 713 L CA 1.638 56.374 54.840 -0.173 0.000 0.747 713 L CB -1.117 40.797 42.059 -0.243 0.000 0.896 713 L HN 0.601 nan 8.230 nan 0.000 0.432 714 T N -4.016 110.260 114.554 -0.463 0.000 3.169 714 T HA 0.041 4.391 4.350 -0.000 0.000 0.250 714 T C 0.798 175.274 174.700 -0.373 0.000 1.111 714 T CA 0.110 61.648 62.100 -0.937 0.000 1.010 714 T CB -0.455 67.924 68.868 -0.814 0.000 0.984 714 T HN 0.347 nan 8.240 nan 0.000 0.537 715 N N 1.306 119.927 118.700 -0.132 0.000 2.671 715 N HA -0.177 4.563 4.740 -0.000 0.000 0.261 715 N C 0.246 175.748 175.510 -0.015 0.000 1.053 715 N CA 0.926 53.965 53.050 -0.020 0.000 0.732 715 N CB -1.775 36.737 38.487 0.041 0.000 0.887 715 N HN 0.908 nan 8.380 nan 0.000 0.546 716 I N -2.610 117.950 120.570 -0.018 0.000 4.102 716 I HA 0.361 4.531 4.170 -0.000 0.000 0.325 716 I C 0.039 176.163 176.117 0.012 0.000 1.471 716 I CA -0.621 60.678 61.300 -0.001 0.000 1.133 716 I CB 0.145 38.129 38.000 -0.027 0.000 1.184 716 I HN 0.032 nan 8.210 nan 0.000 0.451 717 I N 4.218 124.817 120.570 0.049 0.000 2.494 717 I HA 0.064 4.234 4.170 -0.000 0.000 0.289 717 I C 1.051 177.210 176.117 0.070 0.000 1.106 717 I CA 0.303 61.655 61.300 0.087 0.000 1.369 717 I CB 0.644 38.760 38.000 0.194 0.000 1.410 717 I HN 0.367 nan 8.210 nan 0.000 0.523 718 T N 3.376 117.951 114.554 0.035 0.000 2.862 718 T HA 0.328 4.678 4.350 -0.000 0.000 0.276 718 T C -1.654 173.097 174.700 0.085 0.000 0.974 718 T CA -1.680 60.467 62.100 0.078 0.000 0.966 718 T CB 1.269 70.218 68.868 0.135 0.000 1.072 718 T HN 0.275 nan 8.240 nan 0.000 0.538 719 P HA -0.037 nan 4.420 nan 0.000 0.218 719 P C 0.922 178.276 177.300 0.090 0.000 1.148 719 P CA 1.045 64.198 63.100 0.088 0.000 0.822 719 P CB 0.033 31.777 31.700 0.074 0.000 0.784 720 D N -1.983 118.473 120.400 0.093 0.000 2.433 720 D HA 0.004 4.644 4.640 -0.000 0.000 0.211 720 D C 1.673 177.997 176.300 0.040 0.000 1.114 720 D CA -0.157 53.894 54.000 0.084 0.000 0.837 720 D CB -0.837 40.017 40.800 0.090 0.000 0.984 720 D HN -0.004 nan 8.370 nan 0.000 0.505 721 L N 0.226 121.409 121.223 -0.066 0.000 2.013 721 L HA -0.053 4.287 4.340 -0.000 0.000 0.212 721 L C 1.120 177.725 176.870 -0.442 0.000 1.073 721 L CA 1.756 56.340 54.840 -0.427 0.000 0.753 721 L CB -0.710 40.921 42.059 -0.713 0.000 0.890 721 L HN -0.028 nan 8.230 nan 0.000 0.432 722 F N -0.495 119.500 119.950 0.075 0.000 2.730 722 F HA 0.237 4.763 4.527 -0.000 0.000 0.295 722 F C 0.767 176.616 175.800 0.082 0.000 1.143 722 F CA -0.784 57.290 58.000 0.122 0.000 1.367 722 F CB -0.138 38.927 39.000 0.109 0.000 0.970 722 F HN -0.091 nan 8.300 nan 0.000 0.514 723 E N 0.740 121.024 120.200 0.141 0.000 2.417 723 E HA 0.124 4.474 4.350 -0.000 0.000 0.261 723 E C 1.290 177.946 176.600 0.094 0.000 1.000 723 E CA 0.837 57.299 56.400 0.103 0.000 0.919 723 E CB 0.740 30.471 29.700 0.052 0.000 0.955 723 E HN 0.568 nan 8.360 nan 0.000 0.455 724 G N 3.518 112.385 108.800 0.112 0.000 2.212 724 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.266 724 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.266 724 G C 1.284 176.295 174.900 0.185 0.000 0.978 724 G CA 0.835 46.006 45.100 0.117 0.000 0.632 724 G HN 0.530 nan 8.290 nan 0.000 0.537 725 T N 0.942 115.635 114.554 0.232 0.000 2.737 725 T HA 0.166 4.516 4.350 -0.000 0.000 0.265 725 T C 2.798 177.670 174.700 0.286 0.000 1.038 725 T CA 2.382 64.675 62.100 0.323 0.000 1.144 725 T CB -0.450 68.706 68.868 0.480 0.000 0.866 725 T HN 1.190 nan 8.240 nan 0.000 0.434 726 A N 1.538 124.472 122.820 0.189 0.000 1.940 726 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 726 A C 2.221 179.869 177.584 0.108 0.000 1.176 726 A CA 1.736 53.844 52.037 0.118 0.000 0.631 726 A CB -0.526 18.518 19.000 0.073 0.000 0.814 726 A HN 0.420 nan 8.150 nan 0.000 0.446 727 E N -1.390 118.884 120.200 0.122 0.000 2.047 727 E HA -0.175 4.175 4.350 -0.000 0.000 0.191 727 E C 1.568 178.222 176.600 0.089 0.000 0.987 727 E CA 1.231 57.682 56.400 0.085 0.000 0.799 727 E CB -0.409 29.344 29.700 0.087 0.000 0.752 727 E HN 0.822 nan 8.360 nan 0.000 0.449 728 W N 1.122 122.433 121.300 0.018 0.000 2.335 728 W HA -0.153 4.506 4.660 -0.000 0.000 0.311 728 W C 1.762 178.281 176.519 -0.001 0.000 1.213 728 W CA 1.649 59.001 57.345 0.011 0.000 1.274 728 W CB -0.262 29.215 29.460 0.029 0.000 1.148 728 W HN -0.010 nan 8.180 nan 0.000 0.498 729 I N 0.629 121.294 120.570 0.157 0.000 2.208 729 I HA -0.338 3.832 4.170 -0.000 0.000 0.245 729 I C 2.573 178.574 176.117 -0.193 0.000 1.097 729 I CA 1.532 62.814 61.300 -0.030 0.000 1.363 729 I CB -1.166 36.897 38.000 0.104 0.000 1.051 729 I HN 0.095 nan 8.210 nan 0.000 0.413 730 A N 0.702 123.452 122.820 -0.117 0.000 1.972 730 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 730 A C 2.342 179.810 177.584 -0.194 0.000 1.169 730 A CA 1.296 53.257 52.037 -0.128 0.000 0.635 730 A CB -0.546 18.413 19.000 -0.068 0.000 0.810 730 A HN 0.338 nan 8.150 nan 0.000 0.446 731 R N -1.043 119.295 120.500 -0.270 0.000 2.237 731 R HA -0.088 4.252 4.340 -0.000 0.000 0.219 731 R C 1.611 177.688 176.300 -0.372 0.000 1.080 731 R CA 1.222 57.139 56.100 -0.304 0.000 0.995 731 R CB -0.564 29.521 30.300 -0.359 0.000 0.875 731 R HN 0.608 nan 8.270 nan 0.000 0.462 732 C N 0.457 119.475 119.300 -0.471 0.000 2.539 732 C HA 0.022 4.482 4.460 -0.000 0.000 0.268 732 C C 1.348 176.150 174.990 -0.313 0.000 1.395 732 C CA -0.354 58.400 59.018 -0.440 0.000 1.757 732 C CB -0.901 26.525 27.740 -0.523 0.000 1.851 732 C HN 0.432 nan 8.230 nan 0.000 0.545 733 Q N 2.690 122.330 119.800 -0.267 0.000 2.304 733 Q HA 0.195 4.535 4.340 -0.000 0.000 0.260 733 Q C 0.120 175.985 176.000 -0.226 0.000 0.965 733 Q CA 0.170 55.819 55.803 -0.256 0.000 0.898 733 Q CB 0.589 29.205 28.738 -0.202 0.000 1.196 733 Q HN 0.687 nan 8.270 nan 0.000 0.402 734 N N 3.476 122.005 118.700 -0.285 0.000 2.813 734 N HA 0.139 4.879 4.740 -0.000 0.000 0.320 734 N C 0.794 176.182 175.510 -0.204 0.000 1.315 734 N CA -0.631 52.294 53.050 -0.208 0.000 0.871 734 N CB -0.379 37.957 38.487 -0.252 0.000 1.241 734 N HN 0.874 nan 8.380 nan 0.000 0.602 735 W N -0.572 120.673 121.300 -0.092 0.000 2.359 735 W HA -0.052 4.608 4.660 -0.000 0.000 0.275 735 W C 0.464 176.957 176.519 -0.043 0.000 1.217 735 W CA 0.823 58.135 57.345 -0.055 0.000 1.196 735 W CB -0.957 28.483 29.460 -0.033 0.000 1.129 735 W HN 0.583 nan 8.180 nan 0.000 0.566 736 E N 0.170 119.848 120.200 -0.869 0.000 2.216 736 E HA 0.109 4.459 4.350 -0.000 0.000 0.192 736 E C 2.143 178.527 176.600 -0.360 0.000 0.988 736 E CA 1.019 56.974 56.400 -0.742 0.000 0.834 736 E CB -0.353 28.733 29.700 -1.024 0.000 0.772 736 E HN 0.430 nan 8.360 nan 0.000 0.479 737 G N 0.571 109.133 108.800 -0.397 0.000 2.284 737 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 737 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 737 G C 0.566 175.181 174.900 -0.474 0.000 1.009 737 G CA -0.205 44.744 45.100 -0.251 0.000 0.625 737 G HN 0.524 nan 8.290 nan 0.000 0.501 738 G N -0.393 107.745 108.800 -1.104 0.000 2.525 738 G HA2 0.646 4.606 3.960 -0.000 0.000 0.287 738 G HA3 0.646 4.606 3.960 -0.000 0.000 0.287 738 G C -0.226 174.171 174.900 -0.839 0.000 1.350 738 G CA -0.527 43.672 45.100 -1.501 0.000 1.039 738 G HN 0.670 nan 8.290 nan 0.000 0.513 739 I N -0.064 120.104 120.570 -0.669 0.000 2.474 739 I HA 0.492 4.662 4.170 -0.000 0.000 0.294 739 I C 0.744 176.707 176.117 -0.256 0.000 1.005 739 I CA -0.751 60.324 61.300 -0.375 0.000 1.113 739 I CB 2.203 40.061 38.000 -0.237 0.000 1.289 739 I HN 0.592 nan 8.210 nan 0.000 0.436 740 G N 2.364 111.020 108.800 -0.241 0.000 2.521 740 G HA2 0.445 4.405 3.960 -0.000 0.000 0.323 740 G HA3 0.445 4.405 3.960 -0.000 0.000 0.323 740 G C 0.854 175.536 174.900 -0.364 0.000 1.211 740 G CA -0.184 44.803 45.100 -0.188 0.000 0.979 740 G HN 0.788 nan 8.290 nan 0.000 0.490 741 G N -1.239 107.132 108.800 -0.716 0.000 2.440 741 G HA2 0.188 4.148 3.960 -0.000 0.000 0.218 741 G HA3 0.188 4.148 3.960 -0.000 0.000 0.218 741 G C 0.706 175.331 174.900 -0.457 0.000 1.154 741 G CA 1.981 46.319 45.100 -1.270 0.000 0.767 741 G HN 1.512 nan 8.290 nan 0.000 0.552 742 V N -4.584 115.152 119.914 -0.298 0.000 3.130 742 V HA 0.674 4.794 4.120 -0.000 0.000 0.310 742 V C -3.000 172.942 176.094 -0.254 0.000 1.158 742 V CA -3.053 59.147 62.300 -0.167 0.000 1.029 742 V CB 1.799 33.639 31.823 0.028 0.000 1.057 742 V HN -0.108 nan 8.190 nan 0.000 0.436 743 P HA 0.332 nan 4.420 nan 0.000 0.262 743 P C 0.970 178.191 177.300 -0.131 0.000 1.182 743 P CA 2.155 65.098 63.100 -0.261 0.000 0.761 743 P CB 0.557 32.104 31.700 -0.256 0.000 0.795 744 G N 2.014 110.754 108.800 -0.100 0.000 2.254 744 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.225 744 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.225 744 G C 0.190 175.088 174.900 -0.004 0.000 1.003 744 G CA -0.448 44.635 45.100 -0.028 0.000 0.622 744 G HN 0.398 nan 8.290 nan 0.000 0.507 745 M N 1.499 121.067 119.600 -0.053 0.000 2.255 745 M HA 0.403 4.883 4.480 -0.000 0.000 0.336 745 M C 0.762 177.042 176.300 -0.034 0.000 1.135 745 M CA -0.882 54.399 55.300 -0.031 0.000 1.145 745 M CB 0.898 33.456 32.600 -0.069 0.000 1.473 745 M HN 0.431 nan 8.290 nan 0.000 0.462 746 E N 1.258 121.473 120.200 0.025 0.000 2.467 746 E HA 0.190 4.540 4.350 -0.000 0.000 0.264 746 E C -0.667 175.901 176.600 -0.053 0.000 1.020 746 E CA -0.262 56.144 56.400 0.011 0.000 0.945 746 E CB 0.685 30.443 29.700 0.097 0.000 0.942 746 E HN 0.694 nan 8.360 nan 0.000 0.449 747 A N 4.804 127.503 122.820 -0.201 0.000 2.440 747 A HA 0.146 4.466 4.320 -0.000 0.000 0.251 747 A C -0.525 177.061 177.584 0.005 0.000 1.089 747 A CA -0.044 51.785 52.037 -0.346 0.000 0.779 747 A CB 0.414 18.856 19.000 -0.930 0.000 1.022 747 A HN 0.713 nan 8.150 nan 0.000 0.492 748 H N 1.416 120.459 119.070 -0.045 0.000 2.894 748 H HA 0.369 4.925 4.556 -0.000 0.000 0.367 748 H C 1.195 176.619 175.328 0.159 0.000 1.144 748 H CA 0.173 56.300 56.048 0.133 0.000 1.180 748 H CB 1.878 31.703 29.762 0.105 0.000 1.758 748 H HN 0.692 nan 8.280 nan 0.000 0.541 749 G N 2.187 110.967 108.800 -0.033 0.000 2.469 749 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 749 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 749 G C 1.472 176.470 174.900 0.164 0.000 1.136 749 G CA 0.874 46.035 45.100 0.101 0.000 0.759 749 G HN 0.658 nan 8.290 nan 0.000 0.562 750 G N -0.154 108.740 108.800 0.158 0.000 2.404 750 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.215 750 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.215 750 G C 1.599 176.370 174.900 -0.214 0.000 1.174 750 G CA 0.776 45.680 45.100 -0.326 0.000 0.780 750 G HN 0.520 nan 8.290 nan 0.000 0.537 751 Y N 0.801 121.109 120.300 0.014 0.000 2.314 751 Y HA -0.060 4.490 4.550 -0.000 0.000 0.293 751 Y C 3.318 179.198 175.900 -0.032 0.000 1.129 751 Y CA 1.091 59.177 58.100 -0.023 0.000 1.201 751 Y CB -0.061 38.379 38.460 -0.033 0.000 0.999 751 Y HN 0.121 nan 8.280 nan 0.000 0.541 752 T N 0.368 114.997 114.554 0.125 0.000 2.777 752 T HA -0.198 4.152 4.350 -0.000 0.000 0.266 752 T C 1.531 176.246 174.700 0.025 0.000 1.040 752 T CA 1.287 63.396 62.100 0.015 0.000 1.141 752 T CB -0.577 68.288 68.868 -0.004 0.000 0.868 752 T HN 0.339 nan 8.240 nan 0.000 0.444 753 F N 1.449 121.394 119.950 -0.009 0.000 2.102 753 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 753 F C 2.415 178.123 175.800 -0.153 0.000 1.105 753 F CA 0.765 58.737 58.000 -0.046 0.000 1.239 753 F CB -0.738 38.319 39.000 0.094 0.000 0.991 753 F HN 0.145 nan 8.300 nan 0.000 0.474 754 C N 0.863 120.096 119.300 -0.112 0.000 2.413 754 C HA -0.118 4.342 4.460 -0.000 0.000 0.276 754 C C 3.105 178.011 174.990 -0.141 0.000 1.236 754 C CA 1.296 60.172 59.018 -0.236 0.000 1.735 754 C CB -1.945 25.831 27.740 0.060 0.000 2.031 754 C HN 0.742 nan 8.230 nan 0.000 0.474 755 G N 0.107 108.869 108.800 -0.064 0.000 2.433 755 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 755 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 755 G C 1.499 176.330 174.900 -0.114 0.000 1.186 755 G CA 1.053 46.124 45.100 -0.048 0.000 0.779 755 G HN 0.434 nan 8.290 nan 0.000 0.543 756 L N 1.449 122.562 121.223 -0.183 0.000 2.017 756 L HA 0.162 4.502 4.340 -0.000 0.000 0.208 756 L C 3.128 179.849 176.870 -0.249 0.000 1.073 756 L CA 2.234 56.959 54.840 -0.191 0.000 0.745 756 L CB -0.905 41.043 42.059 -0.185 0.000 0.894 756 L HN 0.255 nan 8.230 nan 0.000 0.432 757 A N -0.492 122.050 122.820 -0.464 0.000 1.908 757 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 757 A C 2.443 179.948 177.584 -0.132 0.000 1.181 757 A CA 2.112 53.897 52.037 -0.420 0.000 0.627 757 A CB -1.222 17.255 19.000 -0.872 0.000 0.818 757 A HN 0.599 nan 8.150 nan 0.000 0.445 758 A N -0.430 122.364 122.820 -0.043 0.000 1.898 758 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 758 A C 2.168 179.687 177.584 -0.107 0.000 1.181 758 A CA 1.440 53.460 52.037 -0.028 0.000 0.620 758 A CB -0.582 18.431 19.000 0.022 0.000 0.819 758 A HN 0.472 nan 8.150 nan 0.000 0.442 759 L N -0.481 120.691 121.223 -0.084 0.000 2.083 759 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 759 L C 2.490 179.320 176.870 -0.066 0.000 1.083 759 L CA 0.910 55.709 54.840 -0.069 0.000 0.752 759 L CB -0.442 41.586 42.059 -0.052 0.000 0.899 759 L HN 0.255 nan 8.230 nan 0.000 0.433 760 V N 0.084 119.954 119.914 -0.073 0.000 2.427 760 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 760 V C 2.277 178.349 176.094 -0.036 0.000 1.051 760 V CA 1.665 63.939 62.300 -0.043 0.000 1.048 760 V CB -0.234 31.563 31.823 -0.043 0.000 0.666 760 V HN 0.325 nan 8.190 nan 0.000 0.456 761 I N -0.383 120.140 120.570 -0.078 0.000 2.226 761 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 761 I C 1.991 178.054 176.117 -0.090 0.000 1.100 761 I CA 1.573 62.825 61.300 -0.080 0.000 1.374 761 I CB -0.184 37.725 38.000 -0.152 0.000 1.057 761 I HN 0.255 nan 8.210 nan 0.000 0.413 762 L N 0.426 121.569 121.223 -0.134 0.000 2.599 762 L HA 0.016 4.356 4.340 -0.000 0.000 0.230 762 L C 0.390 177.240 176.870 -0.034 0.000 1.141 762 L CA 0.235 55.006 54.840 -0.114 0.000 0.877 762 L CB -0.407 41.558 42.059 -0.156 0.000 1.009 762 L HN 0.214 nan 8.230 nan 0.000 0.447 763 K N 0.494 120.882 120.400 -0.020 0.000 3.150 763 K HA -0.174 4.146 4.320 -0.000 0.000 0.267 763 K C 0.046 176.650 176.600 0.007 0.000 1.028 763 K CA 0.326 56.617 56.287 0.007 0.000 0.753 763 K CB -1.024 31.490 32.500 0.023 0.000 1.288 763 K HN 0.182 nan 8.250 nan 0.000 0.473 764 K N 0.081 120.479 120.400 -0.004 0.000 2.619 764 K HA 0.050 4.370 4.320 -0.000 0.000 0.201 764 K C 0.284 176.881 176.600 -0.005 0.000 1.090 764 K CA 0.005 56.293 56.287 0.002 0.000 1.063 764 K CB 0.894 33.398 32.500 0.006 0.000 0.810 764 K HN 0.193 nan 8.250 nan 0.000 0.506 765 E N 0.879 121.074 120.200 -0.008 0.000 2.219 765 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 765 E C 1.487 178.083 176.600 -0.007 0.000 0.998 765 E CA 1.124 57.516 56.400 -0.013 0.000 0.818 765 E CB -0.126 29.571 29.700 -0.006 0.000 0.741 765 E HN 0.183 nan 8.360 nan 0.000 0.477 766 R N 0.387 120.889 120.500 0.002 0.000 2.237 766 R HA 0.036 4.376 4.340 -0.000 0.000 0.219 766 R C 1.805 178.104 176.300 -0.002 0.000 1.080 766 R CA 0.923 57.025 56.100 0.004 0.000 0.995 766 R CB -0.138 30.169 30.300 0.010 0.000 0.875 766 R HN 0.087 nan 8.270 nan 0.000 0.462 767 S N 0.784 116.481 115.700 -0.004 0.000 2.469 767 S HA -0.001 4.469 4.470 -0.000 0.000 0.238 767 S C 0.899 175.486 174.600 -0.022 0.000 0.998 767 S CA 0.676 58.871 58.200 -0.008 0.000 0.957 767 S CB -0.031 63.166 63.200 -0.005 0.000 0.764 767 S HN 0.166 nan 8.310 nan 0.000 0.514 768 L N 1.582 122.789 121.223 -0.026 0.000 2.358 768 L HA 0.406 4.746 4.340 -0.000 0.000 0.268 768 L C 0.481 177.336 176.870 -0.026 0.000 1.032 768 L CA -0.836 53.980 54.840 -0.039 0.000 0.805 768 L CB 0.386 42.415 42.059 -0.050 0.000 1.253 768 L HN -0.030 nan 8.230 nan 0.000 0.452 769 N N 1.713 120.394 118.700 -0.031 0.000 2.555 769 N HA 0.141 4.881 4.740 -0.000 0.000 0.244 769 N C 0.695 176.201 175.510 -0.007 0.000 1.114 769 N CA 0.075 53.117 53.050 -0.015 0.000 0.963 769 N CB 0.540 39.017 38.487 -0.017 0.000 1.276 769 N HN 0.593 nan 8.380 nan 0.000 0.510 770 L N 2.220 123.446 121.223 0.005 0.000 2.187 770 L HA -0.174 4.166 4.340 -0.000 0.000 0.213 770 L C 2.349 179.242 176.870 0.039 0.000 1.100 770 L CA 1.087 55.938 54.840 0.020 0.000 0.765 770 L CB -0.193 41.881 42.059 0.024 0.000 0.904 770 L HN 0.513 nan 8.230 nan 0.000 0.437 771 K N 0.567 120.989 120.400 0.036 0.000 2.025 771 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 771 K C 2.356 178.992 176.600 0.061 0.000 1.049 771 K CA 1.716 58.032 56.287 0.049 0.000 0.933 771 K CB -0.052 32.472 32.500 0.041 0.000 0.714 771 K HN 0.309 nan 8.250 nan 0.000 0.438 772 S N 0.913 116.641 115.700 0.047 0.000 2.402 772 S HA -0.138 4.332 4.470 -0.000 0.000 0.229 772 S C 1.977 176.628 174.600 0.085 0.000 1.021 772 S CA 0.862 59.096 58.200 0.056 0.000 0.974 772 S CB -0.425 62.787 63.200 0.021 0.000 0.800 772 S HN 0.334 nan 8.310 nan 0.000 0.484 773 L N 1.298 122.557 121.223 0.059 0.000 2.027 773 L HA 0.163 4.503 4.340 -0.000 0.000 0.206 773 L C 2.253 179.238 176.870 0.192 0.000 1.074 773 L CA 1.565 56.462 54.840 0.095 0.000 0.745 773 L CB -1.226 40.852 42.059 0.031 0.000 0.898 773 L HN 0.413 nan 8.230 nan 0.000 0.433 774 L N -0.232 121.074 121.223 0.139 0.000 2.012 774 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 774 L C 2.602 179.564 176.870 0.154 0.000 1.073 774 L CA 2.307 57.234 54.840 0.146 0.000 0.748 774 L CB -0.858 41.272 42.059 0.119 0.000 0.891 774 L HN 0.587 nan 8.230 nan 0.000 0.431 775 Q N -1.867 118.018 119.800 0.142 0.000 2.170 775 Q HA -0.268 4.072 4.340 -0.000 0.000 0.203 775 Q C 2.061 178.144 176.000 0.139 0.000 0.976 775 Q CA 2.101 57.978 55.803 0.124 0.000 0.858 775 Q CB -0.486 28.317 28.738 0.108 0.000 0.907 775 Q HN 0.671 nan 8.270 nan 0.000 0.433 776 W N -0.452 120.845 121.300 -0.004 0.000 2.378 776 W HA -0.169 4.491 4.660 -0.000 0.000 0.313 776 W C 1.988 178.503 176.519 -0.006 0.000 1.197 776 W CA 1.527 58.853 57.345 -0.031 0.000 1.304 776 W CB -0.646 28.767 29.460 -0.078 0.000 1.148 776 W HN 0.046 nan 8.180 nan 0.000 0.494 777 V N 1.407 121.369 119.914 0.080 0.000 2.343 777 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 777 V C 2.445 178.503 176.094 -0.061 0.000 1.051 777 V CA 3.290 65.496 62.300 -0.158 0.000 1.036 777 V CB -1.173 30.715 31.823 0.109 0.000 0.654 777 V HN 0.468 nan 8.190 nan 0.000 0.451 778 T N -2.856 111.727 114.554 0.048 0.000 2.881 778 T HA -0.146 4.204 4.350 -0.000 0.000 0.270 778 T C 1.831 176.510 174.700 -0.035 0.000 1.068 778 T CA 1.769 63.925 62.100 0.094 0.000 1.131 778 T CB -0.576 68.364 68.868 0.119 0.000 0.871 778 T HN 0.467 nan 8.240 nan 0.000 0.479 779 S N 0.859 116.484 115.700 -0.126 0.000 2.522 779 S HA 0.128 4.598 4.470 -0.000 0.000 0.227 779 S C 1.896 176.330 174.600 -0.277 0.000 0.986 779 S CA -0.048 58.047 58.200 -0.174 0.000 0.929 779 S CB -0.150 62.954 63.200 -0.160 0.000 0.769 779 S HN 0.403 nan 8.310 nan 0.000 0.529 780 R N 1.271 121.561 120.500 -0.351 0.000 2.299 780 R HA 0.147 4.487 4.340 -0.000 0.000 0.197 780 R C 0.850 176.938 176.300 -0.353 0.000 0.971 780 R CA 0.093 55.980 56.100 -0.355 0.000 1.030 780 R CB -0.317 29.715 30.300 -0.447 0.000 0.932 780 R HN 0.506 nan 8.270 nan 0.000 0.477 781 Q N 1.211 120.646 119.800 -0.608 0.000 2.288 781 Q HA 0.142 4.482 4.340 -0.000 0.000 0.258 781 Q C -0.491 175.227 176.000 -0.470 0.000 0.957 781 Q CA -0.301 54.872 55.803 -1.050 0.000 0.919 781 Q CB 0.751 28.780 28.738 -1.181 0.000 1.185 781 Q HN -0.148 nan 8.270 nan 0.000 0.408 782 M N 4.505 123.881 119.600 -0.374 0.000 2.227 782 M HA 0.071 4.551 4.480 -0.000 0.000 0.349 782 M C 1.145 177.388 176.300 -0.095 0.000 1.443 782 M CA 0.492 55.685 55.300 -0.177 0.000 1.110 782 M CB 0.347 32.868 32.600 -0.133 0.000 1.773 782 M HN 0.731 nan 8.290 nan 0.000 0.463 783 R N 1.681 122.164 120.500 -0.028 0.000 2.105 783 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 783 R C 1.536 177.892 176.300 0.093 0.000 1.135 783 R CA 1.606 57.726 56.100 0.033 0.000 0.967 783 R CB -0.521 29.798 30.300 0.032 0.000 0.861 783 R HN 0.540 nan 8.270 nan 0.000 0.442 784 F N 2.014 121.944 119.950 -0.034 0.000 2.104 784 F HA 0.088 4.615 4.527 -0.000 0.000 0.288 784 F C 1.891 177.857 175.800 0.277 0.000 1.107 784 F CA 1.315 59.311 58.000 -0.007 0.000 1.208 784 F CB -0.103 38.876 39.000 -0.035 0.000 1.033 784 F HN -0.103 nan 8.300 nan 0.000 0.478 785 E N 0.175 120.438 120.200 0.106 0.000 2.085 785 E HA 0.021 4.370 4.350 -0.000 0.000 0.194 785 E C 1.903 178.532 176.600 0.049 0.000 0.994 785 E CA 1.605 58.025 56.400 0.034 0.000 0.801 785 E CB -0.711 28.920 29.700 -0.114 0.000 0.743 785 E HN 0.656 nan 8.360 nan 0.000 0.453 786 G N -0.522 108.246 108.800 -0.052 0.000 2.284 786 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.230 786 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.230 786 G C 0.650 175.474 174.900 -0.127 0.000 1.021 786 G CA -0.009 45.072 45.100 -0.032 0.000 0.619 786 G HN 0.655 nan 8.290 nan 0.000 0.510 787 G N -0.541 108.016 108.800 -0.405 0.000 2.525 787 G HA2 0.611 4.571 3.960 -0.000 0.000 0.287 787 G HA3 0.611 4.571 3.960 -0.000 0.000 0.287 787 G C -0.497 174.252 174.900 -0.252 0.000 1.350 787 G CA -0.667 44.240 45.100 -0.321 0.000 1.039 787 G HN 0.300 nan 8.290 nan 0.000 0.513 788 F N -0.645 119.237 119.950 -0.113 0.000 2.507 788 F HA 0.421 4.948 4.527 -0.000 0.000 0.327 788 F C 0.711 176.509 175.800 -0.004 0.000 1.068 788 F CA -0.685 57.265 58.000 -0.082 0.000 0.965 788 F CB 2.082 41.034 39.000 -0.080 0.000 1.192 788 F HN 0.528 nan 8.300 nan 0.000 0.476 789 Q N 0.334 120.172 119.800 0.063 0.000 2.204 789 Q HA 0.603 4.943 4.340 -0.000 0.000 0.254 789 Q C 0.427 176.189 176.000 -0.397 0.000 0.981 789 Q CA -0.600 55.189 55.803 -0.023 0.000 0.897 789 Q CB 1.706 30.389 28.738 -0.092 0.000 1.273 789 Q HN 0.819 nan 8.270 nan 0.000 0.464 790 G N 0.907 109.272 108.800 -0.724 0.000 2.603 790 G HA2 0.056 4.016 3.960 -0.000 0.000 0.214 790 G HA3 0.056 4.016 3.960 -0.000 0.000 0.214 790 G C 0.132 174.506 174.900 -0.877 0.000 1.140 790 G CA 0.053 44.262 45.100 -1.486 0.000 0.800 790 G HN 0.679 nan 8.290 nan 0.000 0.533 791 R N -2.169 118.088 120.500 -0.405 0.000 2.716 791 R HA 0.432 4.772 4.340 -0.000 0.000 0.271 791 R C -1.196 175.058 176.300 -0.076 0.000 1.028 791 R CA -0.936 55.091 56.100 -0.121 0.000 0.883 791 R CB 0.113 30.427 30.300 0.023 0.000 1.250 791 R HN -0.037 nan 8.270 nan 0.000 0.465 792 C N 2.292 121.592 119.300 -0.000 0.000 2.563 792 C HA 0.053 4.513 4.460 -0.000 0.000 0.411 792 C C 0.762 175.764 174.990 0.021 0.000 1.386 792 C CA 1.085 60.097 59.018 -0.010 0.000 1.703 792 C CB -1.272 26.498 27.740 0.050 0.000 2.596 792 C HN 0.986 nan 8.230 nan 0.000 0.605 793 N N 2.422 121.124 118.700 0.003 0.000 2.741 793 N HA -0.136 4.604 4.740 -0.000 0.000 0.251 793 N C -0.256 175.272 175.510 0.029 0.000 1.112 793 N CA 1.348 54.411 53.050 0.021 0.000 0.750 793 N CB -0.599 37.914 38.487 0.045 0.000 1.119 793 N HN 0.788 nan 8.380 nan 0.000 0.561 794 K N -0.205 120.208 120.400 0.021 0.000 2.296 794 K HA 0.579 4.899 4.320 -0.000 0.000 0.243 794 K C 0.579 177.205 176.600 0.044 0.000 1.082 794 K CA -0.753 55.562 56.287 0.046 0.000 0.929 794 K CB 0.915 33.456 32.500 0.068 0.000 1.353 794 K HN -0.072 nan 8.250 nan 0.000 0.536 795 L N 0.875 122.147 121.223 0.081 0.000 2.375 795 L HA 0.343 4.683 4.340 -0.000 0.000 0.268 795 L C 0.407 177.350 176.870 0.121 0.000 1.058 795 L CA -0.956 53.935 54.840 0.086 0.000 0.803 795 L CB 1.275 43.389 42.059 0.092 0.000 1.212 795 L HN 0.232 nan 8.230 nan 0.000 0.451 796 V N 1.236 121.196 119.914 0.078 0.000 2.872 796 V HA 0.109 4.229 4.120 -0.000 0.000 0.307 796 V C -0.543 175.657 176.094 0.177 0.000 1.072 796 V CA 0.537 62.875 62.300 0.062 0.000 1.148 796 V CB 1.251 32.995 31.823 -0.131 0.000 0.954 796 V HN 0.867 nan 8.190 nan 0.000 0.490 797 D N 3.149 123.705 120.400 0.260 0.000 2.931 797 D HA 0.344 4.984 4.640 -0.000 0.000 0.215 797 D C 0.719 177.173 176.300 0.258 0.000 1.297 797 D CA 0.190 54.333 54.000 0.240 0.000 0.892 797 D CB 1.855 42.718 40.800 0.105 0.000 1.642 797 D HN 0.591 nan 8.370 nan 0.000 0.560 798 G N 1.707 110.704 108.800 0.329 0.000 2.475 798 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 798 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 798 G C 1.727 176.712 174.900 0.141 0.000 1.125 798 G CA 1.348 46.635 45.100 0.312 0.000 0.755 798 G HN 0.733 nan 8.290 nan 0.000 0.565 799 C N -1.453 117.858 119.300 0.018 0.000 2.432 799 C HA 0.141 4.601 4.460 -0.000 0.000 0.282 799 C C 2.320 177.230 174.990 -0.132 0.000 1.388 799 C CA 0.135 59.022 59.018 -0.220 0.000 1.777 799 C CB -1.626 25.826 27.740 -0.480 0.000 1.882 799 C HN 0.475 nan 8.230 nan 0.000 0.520 800 Y N 1.890 122.285 120.300 0.159 0.000 2.616 800 Y HA -0.039 4.511 4.550 -0.000 0.000 0.296 800 Y C 2.701 178.529 175.900 -0.121 0.000 1.154 800 Y CA 0.502 58.660 58.100 0.097 0.000 1.325 800 Y CB -0.283 38.251 38.460 0.123 0.000 1.007 800 Y HN 0.314 nan 8.280 nan 0.000 0.542 801 S N 0.007 115.750 115.700 0.071 0.000 2.442 801 S HA -0.178 4.292 4.470 -0.000 0.000 0.236 801 S C 1.405 175.896 174.600 -0.180 0.000 1.007 801 S CA 1.261 59.449 58.200 -0.020 0.000 0.965 801 S CB -0.280 62.988 63.200 0.114 0.000 0.773 801 S HN 0.559 nan 8.310 nan 0.000 0.504 802 F N -0.088 119.673 119.950 -0.315 0.000 2.479 802 F HA 0.234 4.761 4.527 -0.000 0.000 0.280 802 F C 1.416 176.943 175.800 -0.455 0.000 0.982 802 F CA -0.195 57.549 58.000 -0.427 0.000 1.276 802 F CB -0.631 38.065 39.000 -0.506 0.000 1.137 802 F HN 0.129 nan 8.300 nan 0.000 0.660 803 W N 1.248 122.361 121.300 -0.312 0.000 2.325 803 W HA -0.215 4.445 4.660 -0.000 0.000 0.299 803 W C 2.284 178.615 176.519 -0.313 0.000 1.215 803 W CA 1.112 58.240 57.345 -0.363 0.000 1.244 803 W CB -0.401 29.053 29.460 -0.009 0.000 1.140 803 W HN 0.125 nan 8.180 nan 0.000 0.523 804 Q N -0.258 119.419 119.800 -0.206 0.000 2.123 804 Q HA 0.069 4.408 4.340 -0.000 0.000 0.193 804 Q C 2.503 178.026 176.000 -0.794 0.000 0.981 804 Q CA 1.314 56.842 55.803 -0.459 0.000 0.833 804 Q CB -1.373 26.994 28.738 -0.620 0.000 0.914 804 Q HN 0.239 nan 8.270 nan 0.000 0.484 805 A N 1.230 123.261 122.820 -1.314 0.000 1.986 805 A HA -0.121 4.198 4.320 -0.000 0.000 0.220 805 A C 2.183 179.303 177.584 -0.773 0.000 1.171 805 A CA 1.833 53.076 52.037 -1.323 0.000 0.640 805 A CB -1.091 17.019 19.000 -1.483 0.000 0.811 805 A HN 0.467 nan 8.150 nan 0.000 0.451 806 G N -0.638 107.733 108.800 -0.715 0.000 2.535 806 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.218 806 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.218 806 G C 1.383 176.091 174.900 -0.320 0.000 1.122 806 G CA 0.826 45.544 45.100 -0.636 0.000 0.769 806 G HN 0.475 nan 8.290 nan 0.000 0.549 807 L N -0.403 120.675 121.223 -0.241 0.000 2.179 807 L HA 0.115 4.455 4.340 -0.000 0.000 0.208 807 L C 2.733 179.552 176.870 -0.086 0.000 1.096 807 L CA 0.192 54.971 54.840 -0.102 0.000 0.779 807 L CB -0.208 41.834 42.059 -0.028 0.000 0.922 807 L HN 0.187 nan 8.230 nan 0.000 0.443 808 L N -0.170 120.988 121.223 -0.108 0.000 2.046 808 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 808 L C -0.255 176.596 176.870 -0.031 0.000 1.077 808 L CA 1.479 56.350 54.840 0.052 0.000 0.747 808 L CB -1.577 40.646 42.059 0.273 0.000 0.896 808 L HN 0.201 nan 8.230 nan 0.000 0.432 809 P HA -0.147 nan 4.420 nan 0.000 0.218 809 P C 1.862 179.087 177.300 -0.126 0.000 1.149 809 P CA 1.240 63.934 63.100 -0.677 0.000 0.817 809 P CB 0.104 31.194 31.700 -1.017 0.000 0.785 810 L N -1.651 119.513 121.223 -0.098 0.000 2.056 810 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 810 L C 2.375 179.273 176.870 0.047 0.000 1.078 810 L CA 1.273 56.098 54.840 -0.025 0.000 0.749 810 L CB -0.889 41.124 42.059 -0.077 0.000 0.901 810 L HN -0.025 nan 8.230 nan 0.000 0.433 811 L N -1.129 120.139 121.223 0.075 0.000 2.093 811 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 811 L C 2.602 179.578 176.870 0.177 0.000 1.085 811 L CA 1.028 55.936 54.840 0.113 0.000 0.755 811 L CB -0.558 41.575 42.059 0.124 0.000 0.904 811 L HN 0.299 nan 8.230 nan 0.000 0.435 812 H N 0.222 119.406 119.070 0.190 0.000 2.319 812 H HA -0.219 4.337 4.556 -0.000 0.000 0.299 812 H C 2.498 177.960 175.328 0.222 0.000 1.092 812 H CA 2.037 58.254 56.048 0.281 0.000 1.302 812 H CB 0.121 30.178 29.762 0.492 0.000 1.373 812 H HN 0.068 nan 8.280 nan 0.000 0.497 813 R N 0.066 120.752 120.500 0.309 0.000 2.081 813 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 813 R C 2.301 178.692 176.300 0.150 0.000 1.131 813 R CA 1.248 57.468 56.100 0.200 0.000 0.960 813 R CB -0.375 30.004 30.300 0.132 0.000 0.856 813 R HN 0.417 nan 8.270 nan 0.000 0.436 814 A N 1.039 123.927 122.820 0.113 0.000 1.898 814 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 814 A C 2.202 179.831 177.584 0.075 0.000 1.181 814 A CA 0.991 53.076 52.037 0.081 0.000 0.620 814 A CB -0.435 18.597 19.000 0.053 0.000 0.819 814 A HN 0.335 nan 8.150 nan 0.000 0.442 815 L N -1.276 119.987 121.223 0.066 0.000 2.093 815 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 815 L C 2.728 179.619 176.870 0.035 0.000 1.085 815 L CA 1.495 56.356 54.840 0.036 0.000 0.755 815 L CB -0.678 41.392 42.059 0.017 0.000 0.904 815 L HN 0.607 nan 8.230 nan 0.000 0.435 816 H N 0.635 119.669 119.070 -0.060 0.000 2.423 816 H HA -0.089 4.467 4.556 -0.000 0.000 0.297 816 H C 2.019 177.353 175.328 0.009 0.000 1.075 816 H CA 1.412 57.436 56.048 -0.040 0.000 1.342 816 H CB 0.378 30.123 29.762 -0.029 0.000 1.395 816 H HN 0.299 nan 8.280 nan 0.000 0.530 817 A N 0.606 123.536 122.820 0.184 0.000 2.067 817 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 817 A C 2.175 179.779 177.584 0.033 0.000 1.158 817 A CA 1.061 53.174 52.037 0.127 0.000 0.661 817 A CB -0.270 18.801 19.000 0.118 0.000 0.801 817 A HN 0.558 nan 8.150 nan 0.000 0.452 818 Q N -1.566 118.240 119.800 0.010 0.000 2.360 818 Q HA 0.265 4.605 4.340 -0.000 0.000 0.202 818 Q C 0.908 176.882 176.000 -0.043 0.000 0.915 818 Q CA 0.270 56.069 55.803 -0.008 0.000 0.943 818 Q CB 0.247 28.986 28.738 0.003 0.000 1.064 818 Q HN 0.822 nan 8.270 nan 0.000 0.511 819 G N 1.923 110.662 108.800 -0.102 0.000 2.147 819 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 819 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 819 G C -0.283 174.548 174.900 -0.115 0.000 1.005 819 G CA 0.132 45.144 45.100 -0.146 0.000 0.713 819 G HN 0.377 nan 8.290 nan 0.000 0.515 820 D N 0.788 121.133 120.400 -0.092 0.000 2.451 820 D HA 0.167 4.806 4.640 -0.000 0.000 0.254 820 D C 0.102 176.370 176.300 -0.054 0.000 1.204 820 D CA -0.476 53.493 54.000 -0.051 0.000 0.896 820 D CB 1.156 41.937 40.800 -0.031 0.000 1.136 820 D HN 0.281 nan 8.370 nan 0.000 0.499 821 P HA 0.049 nan 4.420 nan 0.000 0.240 821 P C 0.602 177.905 177.300 0.005 0.000 1.190 821 P CA 0.154 63.244 63.100 -0.017 0.000 0.781 821 P CB 0.444 32.135 31.700 -0.015 0.000 0.931 822 A N -0.066 122.759 122.820 0.009 0.000 2.218 822 A HA 0.171 4.491 4.320 -0.000 0.000 0.209 822 A C 1.222 178.829 177.584 0.038 0.000 1.168 822 A CA -0.183 51.866 52.037 0.020 0.000 0.804 822 A CB -0.820 18.192 19.000 0.019 0.000 0.834 822 A HN 0.128 nan 8.150 nan 0.000 0.482 823 L N 1.489 122.738 121.223 0.043 0.000 2.559 823 L HA 0.033 4.373 4.340 -0.000 0.000 0.274 823 L C 1.125 178.088 176.870 0.154 0.000 1.205 823 L CA -0.246 54.644 54.840 0.083 0.000 0.907 823 L CB 0.484 42.532 42.059 -0.018 0.000 1.153 823 L HN 0.332 nan 8.230 nan 0.000 0.490 824 S N 3.549 119.347 115.700 0.162 0.000 2.566 824 S HA 0.050 4.520 4.470 -0.000 0.000 0.280 824 S C 0.848 175.502 174.600 0.089 0.000 1.343 824 S CA -0.220 58.013 58.200 0.055 0.000 1.036 824 S CB 0.521 63.693 63.200 -0.047 0.000 0.866 824 S HN 0.598 nan 8.310 nan 0.000 0.526 825 M N 3.059 122.614 119.600 -0.075 0.000 2.405 825 M HA 0.164 4.644 4.480 -0.000 0.000 0.292 825 M C 1.009 177.076 176.300 -0.388 0.000 1.111 825 M CA 0.196 55.486 55.300 -0.017 0.000 0.979 825 M CB -0.306 32.325 32.600 0.052 0.000 1.426 825 M HN 0.850 nan 8.290 nan 0.000 0.509 826 S N -2.282 112.813 115.700 -1.008 0.000 2.648 826 S HA 0.221 4.691 4.470 -0.000 0.000 0.270 826 S C 0.177 173.612 174.600 -1.942 0.000 1.080 826 S CA -0.310 57.121 58.200 -1.282 0.000 1.159 826 S CB 0.721 63.468 63.200 -0.755 0.000 1.091 826 S HN 0.439 nan 8.310 nan 0.000 0.605 827 H N -0.870 117.266 119.070 -1.557 0.000 2.895 827 H HA 0.614 5.170 4.556 -0.000 0.000 0.373 827 H C -1.334 173.640 175.328 -0.590 0.000 1.174 827 H CA -0.819 54.648 56.048 -0.968 0.000 1.144 827 H CB 0.702 30.167 29.762 -0.495 0.000 1.793 827 H HN 0.306 nan 8.280 nan 0.000 0.551 828 W N 1.465 122.792 121.300 0.044 0.000 2.183 828 W HA 0.264 4.924 4.660 -0.000 0.000 0.348 828 W C 0.578 177.152 176.519 0.093 0.000 1.257 828 W CA -0.712 56.740 57.345 0.179 0.000 1.324 828 W CB 0.580 30.164 29.460 0.206 0.000 1.144 828 W HN 0.348 nan 8.180 nan 0.000 0.622 829 M N 3.415 123.332 119.600 0.528 0.000 3.663 829 M HA 0.156 4.636 4.480 -0.000 0.000 0.198 829 M C -1.165 175.387 176.300 0.419 0.000 1.365 829 M CA 0.258 55.769 55.300 0.352 0.000 1.595 829 M CB -0.952 31.836 32.600 0.313 0.000 1.120 829 M HN 0.311 nan 8.290 nan 0.000 0.522 830 F N -3.600 116.504 119.950 0.256 0.000 2.668 830 F HA 0.394 4.921 4.527 -0.000 0.000 0.309 830 F C -0.621 175.290 175.800 0.185 0.000 1.117 830 F CA -1.346 56.802 58.000 0.246 0.000 0.951 830 F CB 0.788 40.039 39.000 0.417 0.000 1.323 830 F HN -0.065 nan 8.300 nan 0.000 0.451 831 H N 3.120 122.297 119.070 0.178 0.000 3.291 831 H HA 0.148 4.703 4.556 -0.000 0.000 0.256 831 H C 0.701 176.025 175.328 -0.006 0.000 1.315 831 H CA 0.930 56.945 56.048 -0.055 0.000 1.521 831 H CB 0.901 30.578 29.762 -0.142 0.000 1.621 831 H HN 0.884 nan 8.280 nan 0.000 0.498 832 Q N 2.624 122.300 119.800 -0.207 0.000 2.084 832 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 832 Q C 2.196 178.286 176.000 0.151 0.000 0.978 832 Q CA 1.670 57.424 55.803 -0.082 0.000 0.844 832 Q CB 0.152 28.782 28.738 -0.179 0.000 0.898 832 Q HN 0.721 nan 8.270 nan 0.000 0.426 833 Q N 0.201 120.075 119.800 0.123 0.000 2.050 833 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 833 Q C 2.028 178.103 176.000 0.126 0.000 0.980 833 Q CA 1.491 57.368 55.803 0.122 0.000 0.840 833 Q CB -0.206 28.584 28.738 0.087 0.000 0.898 833 Q HN 0.374 nan 8.270 nan 0.000 0.424 834 A N 0.859 123.741 122.820 0.103 0.000 1.908 834 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 834 A C 2.013 179.676 177.584 0.131 0.000 1.181 834 A CA 1.414 53.393 52.037 -0.097 0.000 0.627 834 A CB -0.783 17.915 19.000 -0.503 0.000 0.818 834 A HN 0.506 nan 8.150 nan 0.000 0.445 835 L N -0.128 121.253 121.223 0.265 0.000 2.017 835 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 835 L C 2.481 179.534 176.870 0.305 0.000 1.073 835 L CA 2.356 57.414 54.840 0.362 0.000 0.745 835 L CB -0.806 41.584 42.059 0.551 0.000 0.894 835 L HN 0.511 nan 8.230 nan 0.000 0.432 836 Q N -0.684 119.257 119.800 0.236 0.000 2.135 836 Q HA -0.246 4.093 4.340 -0.000 0.000 0.204 836 Q C 2.123 178.196 176.000 0.121 0.000 0.981 836 Q CA 1.994 57.890 55.803 0.154 0.000 0.856 836 Q CB -0.157 28.643 28.738 0.103 0.000 0.902 836 Q HN 0.642 nan 8.270 nan 0.000 0.425 837 E N -0.269 120.000 120.200 0.116 0.000 2.072 837 E HA -0.211 4.139 4.350 -0.000 0.000 0.191 837 E C 1.709 178.414 176.600 0.174 0.000 0.985 837 E CA 1.002 57.453 56.400 0.086 0.000 0.801 837 E CB -0.143 29.559 29.700 0.003 0.000 0.750 837 E HN 0.334 nan 8.360 nan 0.000 0.452 838 Y N 1.468 121.849 120.300 0.135 0.000 2.145 838 Y HA -0.229 4.321 4.550 -0.000 0.000 0.286 838 Y C 1.895 177.870 175.900 0.125 0.000 1.145 838 Y CA 1.499 59.701 58.100 0.170 0.000 1.148 838 Y CB -0.239 38.312 38.460 0.152 0.000 0.981 838 Y HN -0.042 nan 8.280 nan 0.000 0.507 839 I N -0.415 120.150 120.570 -0.008 0.000 2.142 839 I HA -0.342 3.828 4.170 -0.000 0.000 0.240 839 I C 2.382 178.439 176.117 -0.100 0.000 1.078 839 I CA 1.573 62.811 61.300 -0.102 0.000 1.343 839 I CB -0.577 37.451 38.000 0.047 0.000 1.046 839 I HN 0.242 nan 8.210 nan 0.000 0.405 840 L N -0.312 120.903 121.223 -0.014 0.000 2.056 840 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 840 L C 2.583 179.461 176.870 0.013 0.000 1.078 840 L CA 1.491 56.337 54.840 0.010 0.000 0.749 840 L CB -0.345 41.732 42.059 0.031 0.000 0.901 840 L HN 0.276 nan 8.230 nan 0.000 0.433 841 M N -2.035 117.583 119.600 0.029 0.000 2.435 841 M HA -0.084 4.396 4.480 -0.000 0.000 0.265 841 M C 1.773 178.059 176.300 -0.024 0.000 1.104 841 M CA 0.866 56.214 55.300 0.081 0.000 1.140 841 M CB 0.067 32.805 32.600 0.230 0.000 1.372 841 M HN 0.361 nan 8.290 nan 0.000 0.456 842 C N -1.898 117.293 119.300 -0.182 0.000 3.364 842 C HA 0.164 4.624 4.460 -0.000 0.000 0.340 842 C C 1.914 176.710 174.990 -0.323 0.000 1.336 842 C CA -0.498 58.341 59.018 -0.298 0.000 1.778 842 C CB -0.331 27.124 27.740 -0.475 0.000 2.398 842 C HN 0.562 nan 8.230 nan 0.000 0.667 843 C N 0.996 120.103 119.300 -0.321 0.000 2.974 843 C HA 0.191 4.651 4.460 -0.000 0.000 0.282 843 C C 0.685 175.597 174.990 -0.131 0.000 1.292 843 C CA -0.141 58.738 59.018 -0.231 0.000 1.710 843 C CB -1.637 25.962 27.740 -0.236 0.000 2.036 843 C HN 0.608 nan 8.230 nan 0.000 0.629 844 Q N 0.286 120.036 119.800 -0.083 0.000 2.241 844 Q HA 0.360 4.699 4.340 -0.000 0.000 0.254 844 Q C -0.453 175.530 176.000 -0.028 0.000 0.917 844 Q CA -0.085 55.717 55.803 -0.002 0.000 0.919 844 Q CB 1.812 30.599 28.738 0.082 0.000 1.237 844 Q HN 0.460 nan 8.270 nan 0.000 0.434 845 C N 4.059 123.343 119.300 -0.027 0.000 2.369 845 C HA 0.342 4.802 4.460 -0.000 0.000 0.358 845 C C -1.353 173.592 174.990 -0.075 0.000 1.274 845 C CA -1.871 57.096 59.018 -0.086 0.000 1.935 845 C CB 0.126 27.768 27.740 -0.163 0.000 2.431 845 C HN 0.730 nan 8.230 nan 0.000 0.545 846 P HA -0.048 nan 4.420 nan 0.000 0.219 846 P C 1.063 178.300 177.300 -0.105 0.000 1.146 846 P CA 1.718 64.766 63.100 -0.085 0.000 0.808 846 P CB 0.100 31.757 31.700 -0.072 0.000 0.779 847 A N -1.141 121.612 122.820 -0.112 0.000 2.238 847 A HA 0.483 4.803 4.320 -0.000 0.000 0.208 847 A C 1.012 178.518 177.584 -0.129 0.000 1.177 847 A CA 0.731 52.702 52.037 -0.111 0.000 0.804 847 A CB -0.905 18.037 19.000 -0.097 0.000 0.823 847 A HN 0.303 nan 8.150 nan 0.000 0.482 848 G N -2.620 106.084 108.800 -0.161 0.000 2.674 848 G HA2 0.541 4.501 3.960 -0.000 0.000 0.686 848 G HA3 0.541 4.501 3.960 -0.000 0.000 0.686 848 G C 0.367 175.099 174.900 -0.279 0.000 1.195 848 G CA -0.237 44.796 45.100 -0.112 0.000 0.776 848 G HN 2.417 nan 8.290 nan 0.000 0.654 849 G N -0.996 107.899 108.800 0.158 0.000 2.663 849 G HA2 0.374 4.334 3.960 -0.000 0.000 0.686 849 G HA3 0.374 4.334 3.960 -0.000 0.000 0.686 849 G C -0.632 174.162 174.900 -0.176 0.000 1.246 849 G CA 0.087 45.032 45.100 -0.257 0.000 0.795 849 G HN 1.661 nan 8.290 nan 0.000 0.627 850 L N -0.082 121.034 121.223 -0.179 0.000 2.271 850 L HA 0.992 5.332 4.340 -0.000 0.000 0.265 850 L C 0.416 177.223 176.870 -0.105 0.000 1.013 850 L CA -0.939 53.812 54.840 -0.149 0.000 0.820 850 L CB 1.837 43.791 42.059 -0.175 0.000 1.352 850 L HN 1.125 nan 8.230 nan 0.000 0.443 851 L N -3.601 117.556 121.223 -0.110 0.000 2.630 851 L HA 0.662 5.002 4.340 -0.000 0.000 0.258 851 L C 0.325 177.073 176.870 -0.204 0.000 1.072 851 L CA -0.708 54.017 54.840 -0.190 0.000 0.885 851 L CB 0.592 42.527 42.059 -0.208 0.000 1.502 851 L HN 0.441 nan 8.230 nan 0.000 0.406 852 D N 0.573 120.681 120.400 -0.487 0.000 2.182 852 D HA -0.159 4.480 4.640 -0.000 0.000 0.193 852 D C 0.015 176.320 176.300 0.009 0.000 0.999 852 D CA 2.624 56.480 54.000 -0.241 0.000 0.850 852 D CB 0.295 40.898 40.800 -0.328 0.000 0.994 852 D HN 0.751 nan 8.370 nan 0.000 0.450 853 K N -1.829 118.556 120.400 -0.026 0.000 2.548 853 K HA 0.549 4.869 4.320 -0.000 0.000 0.282 853 K C -2.998 173.584 176.600 -0.030 0.000 1.006 853 K CA -1.696 54.620 56.287 0.050 0.000 0.892 853 K CB 1.487 34.073 32.500 0.143 0.000 1.499 853 K HN -0.268 nan 8.250 nan 0.000 0.433 854 P HA 0.018 nan 4.420 nan 0.000 0.262 854 P C 0.441 177.718 177.300 -0.039 0.000 1.182 854 P CA 1.708 64.776 63.100 -0.054 0.000 0.761 854 P CB 0.556 32.222 31.700 -0.056 0.000 0.795 855 G N 1.720 110.490 108.800 -0.051 0.000 2.238 855 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.217 855 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.217 855 G C 0.137 175.006 174.900 -0.051 0.000 0.996 855 G CA -0.338 44.738 45.100 -0.041 0.000 0.632 855 G HN 0.461 nan 8.290 nan 0.000 0.503 856 K N 1.489 121.847 120.400 -0.070 0.000 2.098 856 K HA 0.660 4.980 4.320 -0.000 0.000 0.261 856 K C 0.653 177.187 176.600 -0.111 0.000 0.987 856 K CA 0.212 56.443 56.287 -0.094 0.000 0.916 856 K CB 1.512 33.932 32.500 -0.135 0.000 1.039 856 K HN 0.571 nan 8.250 nan 0.000 0.455 857 S N 0.879 116.514 115.700 -0.108 0.000 2.616 857 S HA 0.421 4.891 4.470 -0.000 0.000 0.277 857 S C 0.243 174.766 174.600 -0.128 0.000 1.234 857 S CA -0.991 57.146 58.200 -0.104 0.000 1.028 857 S CB 1.248 64.405 63.200 -0.072 0.000 0.988 857 S HN 0.578 nan 8.310 nan 0.000 0.522 858 R N 0.387 120.805 120.500 -0.136 0.000 2.827 858 R HA 0.476 4.816 4.340 -0.000 0.000 0.269 858 R C -1.044 175.226 176.300 -0.049 0.000 1.048 858 R CA -0.228 55.782 56.100 -0.150 0.000 1.173 858 R CB -0.405 29.716 30.300 -0.297 0.000 1.070 858 R HN 0.863 nan 8.270 nan 0.000 0.498 859 D N -0.549 119.860 120.400 0.014 0.000 2.683 859 D HA 0.096 4.736 4.640 -0.000 0.000 0.246 859 D C -0.423 175.914 176.300 0.060 0.000 1.238 859 D CA -0.796 53.276 54.000 0.121 0.000 0.759 859 D CB -0.001 40.919 40.800 0.200 0.000 1.349 859 D HN 0.380 nan 8.370 nan 0.000 0.426 860 F N -0.498 119.648 119.950 0.327 0.000 2.293 860 F HA -0.049 4.478 4.527 -0.000 0.000 0.300 860 F C 1.932 177.612 175.800 -0.201 0.000 1.086 860 F CA 0.618 58.693 58.000 0.124 0.000 1.375 860 F CB -0.375 38.725 39.000 0.167 0.000 1.045 860 F HN 0.484 nan 8.300 nan 0.000 0.516 861 Y N 0.626 120.631 120.300 -0.492 0.000 2.114 861 Y HA -0.274 4.276 4.550 -0.000 0.000 0.284 861 Y C 2.442 178.042 175.900 -0.501 0.000 1.143 861 Y CA 2.001 59.433 58.100 -1.113 0.000 1.135 861 Y CB -0.964 36.904 38.460 -0.987 0.000 0.980 861 Y HN 0.044 nan 8.280 nan 0.000 0.499 862 H N -1.162 117.720 119.070 -0.312 0.000 2.457 862 H HA -0.063 4.493 4.556 -0.000 0.000 0.294 862 H C 2.168 177.338 175.328 -0.263 0.000 1.064 862 H CA 1.814 57.682 56.048 -0.301 0.000 1.330 862 H CB -0.344 29.350 29.762 -0.115 0.000 1.395 862 H HN 0.308 nan 8.280 nan 0.000 0.541 863 T N -0.589 113.905 114.554 -0.099 0.000 2.746 863 T HA -0.221 4.129 4.350 -0.000 0.000 0.267 863 T C 2.353 176.926 174.700 -0.211 0.000 1.039 863 T CA 1.276 63.315 62.100 -0.103 0.000 1.142 863 T CB -0.628 68.281 68.868 0.068 0.000 0.866 863 T HN 0.556 nan 8.240 nan 0.000 0.444 864 C N 0.631 119.733 119.300 -0.330 0.000 2.473 864 C HA -0.077 4.383 4.460 -0.000 0.000 0.279 864 C C 2.341 176.940 174.990 -0.652 0.000 1.250 864 C CA 0.486 59.202 59.018 -0.503 0.000 1.713 864 C CB -1.410 25.927 27.740 -0.672 0.000 2.066 864 C HN 0.657 nan 8.230 nan 0.000 0.474 865 Y N 0.012 120.017 120.300 -0.491 0.000 2.373 865 Y HA -0.059 4.491 4.550 -0.000 0.000 0.293 865 Y C 2.844 178.564 175.900 -0.300 0.000 1.129 865 Y CA 1.330 59.120 58.100 -0.517 0.000 1.226 865 Y CB -0.604 37.376 38.460 -0.800 0.000 1.000 865 Y HN 0.415 nan 8.280 nan 0.000 0.549 866 C N -0.172 119.044 119.300 -0.141 0.000 2.446 866 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 866 C C 2.669 177.619 174.990 -0.066 0.000 1.275 866 C CA 0.841 59.822 59.018 -0.061 0.000 1.727 866 C CB -1.178 26.521 27.740 -0.068 0.000 2.010 866 C HN 0.530 nan 8.230 nan 0.000 0.486 867 L N 0.355 121.498 121.223 -0.133 0.000 2.056 867 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 867 L C 2.661 179.487 176.870 -0.073 0.000 1.078 867 L CA 1.325 56.094 54.840 -0.118 0.000 0.749 867 L CB -0.721 41.231 42.059 -0.179 0.000 0.901 867 L HN 0.287 nan 8.230 nan 0.000 0.433 868 S N 0.208 115.845 115.700 -0.105 0.000 2.370 868 S HA -0.157 4.313 4.470 -0.000 0.000 0.226 868 S C 2.021 176.714 174.600 0.155 0.000 1.033 868 S CA 1.390 59.593 58.200 0.005 0.000 1.011 868 S CB -0.661 62.433 63.200 -0.177 0.000 0.852 868 S HN 0.616 nan 8.310 nan 0.000 0.457 869 G N 1.418 110.296 108.800 0.131 0.000 2.408 869 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.217 869 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.217 869 G C 1.379 176.360 174.900 0.134 0.000 1.150 869 G CA 0.751 45.926 45.100 0.125 0.000 0.776 869 G HN 0.409 nan 8.290 nan 0.000 0.542 870 L N 1.028 122.310 121.223 0.099 0.000 2.046 870 L HA 0.021 4.361 4.340 -0.000 0.000 0.208 870 L C 2.865 179.789 176.870 0.090 0.000 1.077 870 L CA 2.407 57.304 54.840 0.095 0.000 0.747 870 L CB -0.819 41.266 42.059 0.043 0.000 0.896 870 L HN 0.220 nan 8.230 nan 0.000 0.432 871 S N -0.707 115.050 115.700 0.096 0.000 2.356 871 S HA -0.151 4.318 4.470 -0.000 0.000 0.223 871 S C 2.047 176.767 174.600 0.201 0.000 1.032 871 S CA 1.418 59.699 58.200 0.134 0.000 1.005 871 S CB -0.307 63.006 63.200 0.188 0.000 0.867 871 S HN 0.421 nan 8.310 nan 0.000 0.449 872 I N 2.138 122.849 120.570 0.236 0.000 2.151 872 I HA -0.188 3.982 4.170 -0.000 0.000 0.243 872 I C 2.750 179.135 176.117 0.446 0.000 1.080 872 I CA 1.655 63.119 61.300 0.273 0.000 1.339 872 I CB -1.870 36.202 38.000 0.119 0.000 1.039 872 I HN 0.379 nan 8.210 nan 0.000 0.409 873 A N -0.237 122.836 122.820 0.423 0.000 2.121 873 A HA -0.171 4.148 4.320 -0.000 0.000 0.218 873 A C 2.170 179.870 177.584 0.194 0.000 1.154 873 A CA 1.096 53.413 52.037 0.467 0.000 0.679 873 A CB -0.396 18.880 19.000 0.460 0.000 0.795 873 A HN 0.590 nan 8.150 nan 0.000 0.458 874 Q N -1.119 118.694 119.800 0.022 0.000 2.373 874 Q HA 0.062 4.402 4.340 -0.000 0.000 0.210 874 Q C -0.322 175.474 176.000 -0.341 0.000 0.913 874 Q CA 0.389 56.036 55.803 -0.259 0.000 0.911 874 Q CB 0.286 28.712 28.738 -0.519 0.000 1.040 874 Q HN 0.702 nan 8.270 nan 0.000 0.521 875 H N -0.434 118.753 119.070 0.197 0.000 2.587 875 H HA 0.244 4.799 4.556 -0.000 0.000 0.325 875 H C -1.498 174.001 175.328 0.285 0.000 1.012 875 H CA -0.709 55.438 56.048 0.165 0.000 1.213 875 H CB 0.604 30.454 29.762 0.146 0.000 1.431 875 H HN 0.027 nan 8.280 nan 0.000 0.492 876 F N 2.072 121.971 119.950 -0.086 0.000 2.443 876 F HA 0.622 5.149 4.527 -0.000 0.000 0.335 876 F C -0.214 175.371 175.800 -0.359 0.000 1.104 876 F CA -0.435 57.177 58.000 -0.646 0.000 1.013 876 F CB 1.826 40.227 39.000 -0.998 0.000 1.136 876 F HN 0.581 nan 8.300 nan 0.000 0.470 877 G N 2.725 110.655 108.800 -1.450 0.000 2.552 877 G HA2 0.399 4.359 3.960 -0.000 0.000 0.288 877 G HA3 0.399 4.359 3.960 -0.000 0.000 0.288 877 G C -1.830 172.566 174.900 -0.840 0.000 1.358 877 G CA -0.661 43.930 45.100 -0.848 0.000 1.305 877 G HN 0.725 nan 8.290 nan 0.000 0.602 878 S N 1.941 117.215 115.700 -0.711 0.000 2.269 878 S HA 0.600 5.070 4.470 -0.000 0.000 0.194 878 S C 1.235 175.725 174.600 -0.184 0.000 1.547 878 S CA 0.987 58.965 58.200 -0.371 0.000 1.186 878 S CB -0.439 62.660 63.200 -0.169 0.000 1.069 878 S HN 2.401 nan 8.310 nan 0.000 0.473 879 G N 3.547 112.258 108.800 -0.149 0.000 2.779 879 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.284 879 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.284 879 G C 1.113 175.988 174.900 -0.042 0.000 1.326 879 G CA 0.167 45.224 45.100 -0.072 0.000 0.983 879 G HN 1.437 nan 8.290 nan 0.000 0.555 880 A N 0.043 122.858 122.820 -0.009 0.000 1.984 880 A HA 0.524 4.844 4.320 -0.000 0.000 0.214 880 A C 1.538 179.126 177.584 0.007 0.000 1.173 880 A CA 1.681 53.721 52.037 0.005 0.000 0.673 880 A CB -0.236 18.779 19.000 0.024 0.000 0.830 880 A HN 0.649 nan 8.150 nan 0.000 0.453 881 M N 0.392 120.003 119.600 0.019 0.000 2.239 881 M HA 0.397 4.877 4.480 -0.000 0.000 0.348 881 M C -0.935 175.381 176.300 0.026 0.000 1.239 881 M CA 0.669 56.005 55.300 0.059 0.000 1.114 881 M CB -0.169 32.521 32.600 0.151 0.000 1.641 881 M HN 0.167 nan 8.290 nan 0.000 0.453 882 L N 3.262 124.531 121.223 0.077 0.000 2.580 882 L HA 0.346 4.686 4.340 -0.000 0.000 0.266 882 L C -1.143 175.818 176.870 0.151 0.000 0.955 882 L CA -0.447 54.433 54.840 0.067 0.000 0.886 882 L CB 1.881 43.946 42.059 0.010 0.000 1.263 882 L HN 0.737 nan 8.230 nan 0.000 0.406 883 H N 1.638 120.750 119.070 0.071 0.000 2.782 883 H HA 0.557 5.113 4.556 -0.000 0.000 0.347 883 H C -1.587 173.709 175.328 -0.053 0.000 1.038 883 H CA -0.379 55.640 56.048 -0.048 0.000 1.255 883 H CB 1.737 31.362 29.762 -0.228 0.000 1.623 883 H HN 0.414 nan 8.280 nan 0.000 0.525 884 D N 3.059 123.117 120.400 -0.571 0.000 2.228 884 D HA 0.457 5.097 4.640 -0.000 0.000 0.247 884 D C -0.675 175.259 176.300 -0.610 0.000 0.995 884 D CA -0.453 53.305 54.000 -0.404 0.000 0.903 884 D CB 2.368 43.108 40.800 -0.100 0.000 1.205 884 D HN 0.257 nan 8.370 nan 0.000 0.459 885 V N 1.682 121.387 119.914 -0.349 0.000 2.498 885 V HA 0.225 4.345 4.120 -0.000 0.000 0.283 885 V C -0.619 175.389 176.094 -0.143 0.000 1.015 885 V CA -0.714 61.450 62.300 -0.225 0.000 0.867 885 V CB 1.833 33.570 31.823 -0.143 0.000 1.025 885 V HN 0.288 nan 8.190 nan 0.000 0.441 886 V N 5.651 125.500 119.914 -0.108 0.000 2.293 886 V HA 0.435 4.555 4.120 -0.000 0.000 0.275 886 V C 0.282 176.348 176.094 -0.046 0.000 1.021 886 V CA -0.493 61.762 62.300 -0.075 0.000 0.815 886 V CB 1.385 33.171 31.823 -0.061 0.000 1.025 886 V HN 0.701 nan 8.190 nan 0.000 0.448 887 M N 3.066 122.648 119.600 -0.031 0.000 2.243 887 M HA 0.498 4.978 4.480 -0.000 0.000 0.341 887 M C 1.070 177.355 176.300 -0.025 0.000 1.130 887 M CA 1.032 56.317 55.300 -0.024 0.000 1.162 887 M CB 0.435 33.029 32.600 -0.010 0.000 1.497 887 M HN 0.936 nan 8.290 nan 0.000 0.456 888 G N 1.158 109.937 108.800 -0.035 0.000 2.642 888 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.231 888 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.231 888 G C -0.317 174.567 174.900 -0.026 0.000 1.338 888 G CA -0.383 44.697 45.100 -0.033 0.000 0.883 888 G HN 1.209 nan 8.290 nan 0.000 0.570 889 V N -1.094 118.809 119.914 -0.019 0.000 2.788 889 V HA 0.404 4.524 4.120 -0.000 0.000 0.307 889 V C 0.104 176.191 176.094 -0.012 0.000 1.069 889 V CA 0.228 62.519 62.300 -0.015 0.000 1.173 889 V CB 0.845 32.663 31.823 -0.009 0.000 0.925 889 V HN 0.843 nan 8.190 nan 0.000 0.492 890 P HA -0.145 nan 4.420 nan 0.000 0.222 890 P C 0.950 178.249 177.300 -0.002 0.000 1.142 890 P CA 1.357 64.452 63.100 -0.009 0.000 0.788 890 P CB 0.302 31.996 31.700 -0.010 0.000 0.767 891 E N -0.284 119.915 120.200 -0.002 0.000 2.418 891 E HA -0.080 4.270 4.350 -0.000 0.000 0.197 891 E C 1.652 178.258 176.600 0.010 0.000 1.026 891 E CA 0.420 56.821 56.400 0.002 0.000 0.862 891 E CB -0.876 28.823 29.700 -0.002 0.000 0.799 891 E HN 0.272 nan 8.360 nan 0.000 0.518 892 N N 0.173 118.879 118.700 0.009 0.000 2.453 892 N HA -0.076 4.664 4.740 -0.000 0.000 0.183 892 N C 0.338 175.857 175.510 0.016 0.000 1.041 892 N CA 0.206 53.265 53.050 0.015 0.000 0.900 892 N CB -0.067 38.425 38.487 0.008 0.000 0.961 892 N HN 0.096 nan 8.380 nan 0.000 0.443 893 V N 2.148 122.073 119.914 0.018 0.000 2.599 893 V HA 0.014 4.133 4.120 -0.000 0.000 0.300 893 V C 0.128 176.272 176.094 0.083 0.000 1.034 893 V CA 0.080 62.405 62.300 0.042 0.000 1.115 893 V CB -0.116 31.751 31.823 0.073 0.000 0.934 893 V HN 0.019 nan 8.190 nan 0.000 0.485 894 L N 5.595 126.897 121.223 0.132 0.000 2.335 894 L HA 0.557 4.897 4.340 -0.000 0.000 0.268 894 L C 0.068 177.067 176.870 0.215 0.000 1.016 894 L CA -1.027 53.892 54.840 0.131 0.000 0.805 894 L CB 1.116 43.224 42.059 0.081 0.000 1.311 894 L HN 0.456 nan 8.230 nan 0.000 0.456 895 Q N 1.880 121.736 119.800 0.094 0.000 2.340 895 Q HA 0.258 4.598 4.340 -0.000 0.000 0.249 895 Q C -2.244 173.808 176.000 0.086 0.000 0.957 895 Q CA -1.595 54.235 55.803 0.044 0.000 0.882 895 Q CB 0.786 29.529 28.738 0.009 0.000 1.235 895 Q HN 0.251 nan 8.270 nan 0.000 0.439 896 P HA 0.057 nan 4.420 nan 0.000 0.272 896 P C -0.463 176.932 177.300 0.159 0.000 1.230 896 P CA -0.136 63.020 63.100 0.093 0.000 0.788 896 P CB 0.936 32.591 31.700 -0.074 0.000 0.949 897 T N 0.146 114.838 114.554 0.230 0.000 2.893 897 T HA 0.199 4.549 4.350 -0.000 0.000 0.291 897 T C -0.734 174.151 174.700 0.308 0.000 1.028 897 T CA -0.499 61.780 62.100 0.298 0.000 0.995 897 T CB 0.367 69.449 68.868 0.356 0.000 1.051 897 T HN 0.387 nan 8.240 nan 0.000 0.470 898 H N 5.755 124.985 119.070 0.267 0.000 2.819 898 H HA 0.248 4.804 4.556 -0.000 0.000 0.303 898 H C -1.622 173.911 175.328 0.341 0.000 1.058 898 H CA -1.815 54.401 56.048 0.279 0.000 1.471 898 H CB 1.802 31.753 29.762 0.316 0.000 1.480 898 H HN 0.423 nan 8.280 nan 0.000 0.517 899 P HA -0.115 nan 4.420 nan 0.000 0.231 899 P C 1.045 178.656 177.300 0.519 0.000 1.158 899 P CA 0.514 63.816 63.100 0.336 0.000 0.763 899 P CB 0.638 32.352 31.700 0.023 0.000 0.805 900 V N -2.012 118.308 119.914 0.676 0.000 2.788 900 V HA -0.034 4.086 4.120 -0.000 0.000 0.241 900 V C 1.989 178.277 176.094 0.324 0.000 1.083 900 V CA 1.276 63.774 62.300 0.331 0.000 1.103 900 V CB -0.852 30.980 31.823 0.015 0.000 0.800 900 V HN -0.051 nan 8.190 nan 0.000 0.476 901 Y N -0.645 119.944 120.300 0.481 0.000 2.481 901 Y HA 0.320 4.869 4.550 -0.000 0.000 0.258 901 Y C 1.280 177.383 175.900 0.338 0.000 1.103 901 Y CA 0.069 58.388 58.100 0.365 0.000 1.287 901 Y CB 0.056 38.536 38.460 0.034 0.000 1.108 901 Y HN 0.351 nan 8.280 nan 0.000 0.529 902 N N 1.115 120.108 118.700 0.488 0.000 2.746 902 N HA -0.190 4.550 4.740 -0.000 0.000 0.250 902 N C -0.959 174.465 175.510 -0.144 0.000 1.055 902 N CA 0.935 54.080 53.050 0.159 0.000 0.699 902 N CB -1.430 36.957 38.487 -0.168 0.000 0.919 902 N HN 0.634 nan 8.380 nan 0.000 0.548 903 I N -4.159 116.490 120.570 0.132 0.000 3.095 903 I HA 0.722 4.892 4.170 -0.000 0.000 0.310 903 I C 0.956 177.239 176.117 0.277 0.000 1.196 903 I CA -1.052 60.342 61.300 0.157 0.000 0.985 903 I CB 1.472 39.534 38.000 0.103 0.000 1.250 903 I HN 0.027 nan 8.210 nan 0.000 0.446 904 G N 2.364 111.313 108.800 0.247 0.000 2.265 904 G HA2 0.247 4.207 3.960 -0.000 0.000 0.240 904 G HA3 0.247 4.207 3.960 -0.000 0.000 0.240 904 G C -1.975 173.041 174.900 0.193 0.000 1.270 904 G CA -0.589 44.628 45.100 0.195 0.000 0.901 904 G HN 0.611 nan 8.290 nan 0.000 0.507 905 P HA -0.124 nan 4.420 nan 0.000 0.218 905 P C 1.587 178.985 177.300 0.163 0.000 1.148 905 P CA 1.504 64.759 63.100 0.260 0.000 0.822 905 P CB 0.208 32.019 31.700 0.184 0.000 0.784 906 D N -0.664 119.800 120.400 0.107 0.000 2.183 906 D HA -0.153 4.487 4.640 -0.000 0.000 0.203 906 D C 1.424 177.762 176.300 0.063 0.000 0.969 906 D CA 1.120 55.163 54.000 0.071 0.000 0.842 906 D CB -0.548 40.282 40.800 0.050 0.000 0.957 906 D HN 0.093 nan 8.370 nan 0.000 0.484 907 K N 0.750 121.191 120.400 0.068 0.000 2.155 907 K HA 0.021 4.341 4.320 -0.000 0.000 0.203 907 K C 2.421 179.033 176.600 0.019 0.000 1.052 907 K CA 0.218 56.539 56.287 0.056 0.000 0.948 907 K CB -0.422 32.114 32.500 0.060 0.000 0.728 907 K HN 0.161 nan 8.250 nan 0.000 0.448 908 V N 1.935 121.839 119.914 -0.018 0.000 2.270 908 V HA -0.211 3.909 4.120 -0.000 0.000 0.245 908 V C 2.379 178.424 176.094 -0.082 0.000 1.043 908 V CA 1.442 63.648 62.300 -0.157 0.000 1.014 908 V CB -0.372 31.309 31.823 -0.235 0.000 0.645 908 V HN 0.160 nan 8.190 nan 0.000 0.447 909 I N -0.303 120.270 120.570 0.006 0.000 2.127 909 I HA -0.359 3.811 4.170 -0.000 0.000 0.241 909 I C 2.674 178.798 176.117 0.011 0.000 1.075 909 I CA 2.104 63.417 61.300 0.022 0.000 1.334 909 I CB -0.459 37.571 38.000 0.050 0.000 1.040 909 I HN 0.399 nan 8.210 nan 0.000 0.405 910 Q N 0.862 120.680 119.800 0.029 0.000 2.030 910 Q HA -0.263 4.077 4.340 -0.000 0.000 0.204 910 Q C 2.334 178.333 176.000 -0.001 0.000 0.986 910 Q CA 2.296 58.127 55.803 0.045 0.000 0.843 910 Q CB -0.147 28.647 28.738 0.094 0.000 0.904 910 Q HN 0.560 nan 8.270 nan 0.000 0.420 911 A N 0.292 123.114 122.820 0.003 0.000 1.858 911 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 911 A C 2.307 179.861 177.584 -0.050 0.000 1.190 911 A CA 2.394 54.360 52.037 -0.118 0.000 0.617 911 A CB -1.419 17.621 19.000 0.067 0.000 0.827 911 A HN 0.703 nan 8.150 nan 0.000 0.443 912 T N -2.950 111.596 114.554 -0.013 0.000 2.684 912 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 912 T C 1.831 176.533 174.700 0.002 0.000 1.036 912 T CA 2.202 64.315 62.100 0.021 0.000 1.148 912 T CB -1.241 67.615 68.868 -0.020 0.000 0.863 912 T HN 0.331 nan 8.240 nan 0.000 0.436 913 T N 0.922 115.459 114.554 -0.028 0.000 2.684 913 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 913 T C 1.721 176.362 174.700 -0.098 0.000 1.036 913 T CA 1.932 64.008 62.100 -0.040 0.000 1.148 913 T CB -0.681 68.174 68.868 -0.021 0.000 0.863 913 T HN 0.780 nan 8.240 nan 0.000 0.436 914 H N 0.300 119.198 119.070 -0.287 0.000 2.319 914 H HA -0.058 4.498 4.556 -0.000 0.000 0.299 914 H C 1.746 176.790 175.328 -0.473 0.000 1.092 914 H CA 1.751 57.516 56.048 -0.472 0.000 1.302 914 H CB -0.580 28.624 29.762 -0.931 0.000 1.373 914 H HN 0.446 nan 8.280 nan 0.000 0.497 915 F N -0.304 119.465 119.950 -0.302 0.000 2.502 915 F HA 0.006 4.533 4.527 -0.000 0.000 0.298 915 F C 2.115 177.794 175.800 -0.201 0.000 1.111 915 F CA 0.250 58.090 58.000 -0.268 0.000 1.445 915 F CB 0.026 38.939 39.000 -0.145 0.000 1.081 915 F HN 0.144 nan 8.300 nan 0.000 0.558 916 L N -0.273 120.936 121.223 -0.024 0.000 2.465 916 L HA -0.164 4.176 4.340 -0.000 0.000 0.224 916 L C 1.999 178.818 176.870 -0.084 0.000 1.145 916 L CA 0.879 55.700 54.840 -0.032 0.000 0.834 916 L CB -0.448 41.596 42.059 -0.025 0.000 0.944 916 L HN 0.238 nan 8.230 nan 0.000 0.451 917 Q N -0.386 119.317 119.800 -0.162 0.000 2.378 917 Q HA -0.019 4.321 4.340 -0.000 0.000 0.205 917 Q C 0.202 176.111 176.000 -0.152 0.000 0.954 917 Q CA 0.598 56.297 55.803 -0.173 0.000 0.901 917 Q CB 0.252 28.839 28.738 -0.251 0.000 0.981 917 Q HN 0.279 nan 8.270 nan 0.000 0.483 918 K N 1.639 121.961 120.400 -0.130 0.000 2.095 918 K HA 0.374 4.694 4.320 -0.000 0.000 0.252 918 K C -2.386 174.179 176.600 -0.058 0.000 0.977 918 K CA -2.045 54.200 56.287 -0.070 0.000 0.900 918 K CB 0.701 33.205 32.500 0.007 0.000 1.060 918 K HN -0.088 nan 8.250 nan 0.000 0.449 919 P HA 0.175 nan 4.420 nan 0.000 0.292 919 P C -0.264 177.038 177.300 0.003 0.000 1.283 919 P CA -0.630 62.401 63.100 -0.116 0.000 0.835 919 P CB 0.935 32.428 31.700 -0.346 0.000 1.017 920 V N 5.196 125.122 119.914 0.020 0.000 2.539 920 V HA -0.044 4.076 4.120 -0.000 0.000 0.300 920 V C -1.793 174.387 176.094 0.144 0.000 1.019 920 V CA -0.502 61.841 62.300 0.072 0.000 1.160 920 V CB -1.049 30.815 31.823 0.070 0.000 0.901 920 V HN 0.584 nan 8.190 nan 0.000 0.481 921 P HA -0.009 nan 4.420 nan 0.000 0.257 921 P C 0.999 178.401 177.300 0.170 0.000 1.144 921 P CA 1.910 65.102 63.100 0.154 0.000 0.761 921 P CB 0.026 31.789 31.700 0.105 0.000 0.734 922 G N 2.396 111.305 108.800 0.181 0.000 2.176 922 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.253 922 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.253 922 G C 0.406 175.421 174.900 0.192 0.000 0.979 922 G CA -0.188 44.951 45.100 0.064 0.000 0.641 922 G HN 0.590 nan 8.290 nan 0.000 0.530 923 F N 0.000 119.962 119.950 0.020 0.000 2.286 923 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 923 F CA 0.000 58.011 58.000 0.018 0.000 1.383 923 F CB 0.000 39.007 39.000 0.012 0.000 1.145 923 F HN 0.000 nan 8.300 nan 0.000 0.574