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 2h6i_1_B DATA FIRST_RESID 515 DATA SEQUENCE SSPVWSEPLY SLRPEHARER LQDDSVETVT SIEQAKVEEK IQEVFSSYKF DATA SEQUENCE NHLVPRLVLQ REKHFHYLKR GLRQLTDAYE CLDASRPTLC YWILHSLELL DATA SEQUENCE DEPIPQIVAT DVCQFLELCQ SPEGGFGGGP GQYPHLAPTY AAVNALCIIG DATA SEQUENCE TEEAYDIINR EKLLQYLYSL KQPDGSFLMH VGGEVDVRSA YCAASVASLT DATA SEQUENCE NIITPDLFEG TAEWIARCQN WEGGIGGVPG MEAHGGYTFC GLAALVILKR DATA SEQUENCE ERSLNLKSLL QWVTSRQMRF EGGFQGRCNK LVDGCYSFWQ AGLLPLLHRA DATA SEQUENCE LHAQGDPALS MSHWMFHQQA LQEYILMCCQ CPAGGLLDKP GKSRDFYHTC DATA SEQUENCE FCLSGLSIAQ HFGSGAMLHD VVLGVPENAL QPTHPVYNIG PDKVIQATTY DATA SEQUENCE FLQKPVPGFE 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 515 S HA 0.000 nan 4.470 nan 0.000 0.327 515 S C 0.000 174.555 174.600 -0.075 0.000 1.055 515 S CA 0.000 58.172 58.200 -0.047 0.000 1.107 515 S CB 0.000 63.168 63.200 -0.053 0.000 0.593 516 S N 2.391 118.021 115.700 -0.117 0.000 2.617 516 S HA 0.789 5.259 4.470 0.000 0.000 0.283 516 S C -2.562 171.851 174.600 -0.311 0.000 1.189 516 S CA -0.774 57.301 58.200 -0.207 0.000 1.036 516 S CB 0.616 63.684 63.200 -0.220 0.000 1.014 516 S HN 0.580 nan 8.310 nan 0.000 0.522 517 P HA 0.104 nan 4.420 nan 0.000 0.274 517 P C 1.063 177.960 177.300 -0.672 0.000 1.237 517 P CA -0.594 62.069 63.100 -0.728 0.000 0.793 517 P CB 0.377 31.221 31.700 -1.426 0.000 0.977 518 V N -0.633 119.019 119.914 -0.436 0.000 2.828 518 V HA -0.141 3.979 4.120 0.000 0.000 0.260 518 V C 1.110 177.125 176.094 -0.131 0.000 1.101 518 V CA 1.156 63.331 62.300 -0.210 0.000 1.123 518 V CB -1.407 30.380 31.823 -0.060 0.000 0.704 518 V HN 0.700 nan 8.190 nan 0.000 0.493 519 W N -0.104 121.189 121.300 -0.013 0.000 3.290 519 W HA 0.582 5.242 4.660 0.000 0.000 0.287 519 W C 0.499 177.007 176.519 -0.019 0.000 1.288 519 W CA 0.086 57.422 57.345 -0.015 0.000 1.725 519 W CB -0.559 28.890 29.460 -0.019 0.000 1.103 519 W HN 0.333 nan 8.180 nan 0.000 0.670 520 S N 1.126 116.731 115.700 -0.158 0.000 2.557 520 S HA 0.358 4.828 4.470 0.000 0.000 0.291 520 S C -1.326 173.191 174.600 -0.138 0.000 1.116 520 S CA -0.342 57.806 58.200 -0.088 0.000 0.992 520 S CB 2.092 65.152 63.200 -0.233 0.000 1.028 520 S HN 0.218 nan 8.310 nan 0.000 0.484 521 E N 4.456 124.620 120.200 -0.060 0.000 2.283 521 E HA 0.460 4.810 4.350 0.000 0.000 0.258 521 E C -2.805 173.762 176.600 -0.055 0.000 0.893 521 E CA -2.216 54.145 56.400 -0.065 0.000 0.798 521 E CB 1.322 31.002 29.700 -0.035 0.000 1.242 521 E HN 0.281 nan 8.360 nan 0.000 0.414 522 P HA 0.056 nan 4.420 nan 0.000 0.268 522 P C -0.952 176.319 177.300 -0.050 0.000 1.204 522 P CA 0.262 63.325 63.100 -0.062 0.000 0.768 522 P CB 0.468 32.137 31.700 -0.051 0.000 0.842 523 L N 2.955 124.133 121.223 -0.076 0.000 2.334 523 L HA 0.327 4.667 4.340 0.000 0.000 0.276 523 L C 1.346 178.134 176.870 -0.137 0.000 1.014 523 L CA -0.819 53.958 54.840 -0.105 0.000 0.815 523 L CB 1.261 43.217 42.059 -0.172 0.000 1.268 523 L HN 0.395 nan 8.230 nan 0.000 0.428 524 Y N 1.847 122.008 120.300 -0.232 0.000 2.165 524 Y HA -0.273 4.277 4.550 0.000 0.000 0.286 524 Y C 2.267 177.869 175.900 -0.498 0.000 1.155 524 Y CA 2.103 60.047 58.100 -0.260 0.000 1.164 524 Y CB 0.217 38.536 38.460 -0.235 0.000 0.978 524 Y HN 0.643 nan 8.280 nan 0.000 0.513 525 S N 0.001 115.242 115.700 -0.765 0.000 2.507 525 S HA -0.026 4.444 4.470 0.000 0.000 0.235 525 S C 1.492 175.400 174.600 -1.153 0.000 0.988 525 S CA 1.100 58.389 58.200 -1.519 0.000 0.944 525 S CB -0.250 61.800 63.200 -1.917 0.000 0.762 525 S HN 0.459 nan 8.310 nan 0.000 0.526 526 L N 0.498 121.349 121.223 -0.620 0.000 2.693 526 L HA 0.249 4.589 4.340 0.000 0.000 0.235 526 L C 0.490 177.245 176.870 -0.191 0.000 1.127 526 L CA -0.150 54.496 54.840 -0.323 0.000 0.914 526 L CB 0.082 42.019 42.059 -0.204 0.000 1.193 526 L HN 0.007 nan 8.230 nan 0.000 0.502 527 R N 1.694 122.056 120.500 -0.230 0.000 2.590 527 R HA 0.045 4.385 4.340 0.000 0.000 0.274 527 R C -1.146 175.125 176.300 -0.048 0.000 1.061 527 R CA -1.170 54.858 56.100 -0.120 0.000 1.081 527 R CB 0.316 30.526 30.300 -0.150 0.000 0.984 527 R HN -0.115 nan 8.270 nan 0.000 0.448 528 P HA -0.246 nan 4.420 nan 0.000 0.218 528 P C 0.601 177.911 177.300 0.017 0.000 1.148 528 P CA 1.492 64.599 63.100 0.011 0.000 0.822 528 P CB 0.149 31.855 31.700 0.011 0.000 0.784 529 E N -0.522 119.677 120.200 -0.003 0.000 2.418 529 E HA -0.212 4.139 4.350 0.000 0.000 0.197 529 E C 1.899 178.490 176.600 -0.016 0.000 1.026 529 E CA 0.620 57.015 56.400 -0.010 0.000 0.862 529 E CB -1.402 28.287 29.700 -0.020 0.000 0.799 529 E HN 0.438 nan 8.360 nan 0.000 0.518 530 H N 1.060 120.055 119.070 -0.124 0.000 2.518 530 H HA 0.085 4.641 4.556 0.000 0.000 0.289 530 H C 1.690 177.055 175.328 0.062 0.000 1.051 530 H CA 1.208 57.170 56.048 -0.143 0.000 1.280 530 H CB 0.260 29.841 29.762 -0.302 0.000 1.380 530 H HN 0.297 nan 8.280 nan 0.000 0.566 531 A N 1.193 124.071 122.820 0.096 0.000 2.019 531 A HA -0.149 4.171 4.320 0.000 0.000 0.219 531 A C 2.490 180.075 177.584 0.001 0.000 1.164 531 A CA 0.949 53.049 52.037 0.106 0.000 0.644 531 A CB -0.408 18.640 19.000 0.079 0.000 0.805 531 A HN 0.426 nan 8.150 nan 0.000 0.449 532 R N -0.074 120.408 120.500 -0.030 0.000 2.193 532 R HA -0.070 4.270 4.340 0.000 0.000 0.229 532 R C 0.972 177.231 176.300 -0.068 0.000 1.110 532 R CA 1.089 57.160 56.100 -0.047 0.000 0.988 532 R CB -0.132 30.146 30.300 -0.038 0.000 0.871 532 R HN 0.411 nan 8.270 nan 0.000 0.458 533 E N 0.717 120.861 120.200 -0.093 0.000 2.511 533 E HA -0.010 4.341 4.350 0.000 0.000 0.196 533 E C 0.199 176.759 176.600 -0.066 0.000 1.066 533 E CA 0.339 56.695 56.400 -0.073 0.000 0.871 533 E CB 0.022 29.630 29.700 -0.154 0.000 0.863 533 E HN 0.118 nan 8.360 nan 0.000 0.520 534 R N 0.916 121.311 120.500 -0.174 0.000 2.594 534 R HA 0.096 4.436 4.340 0.000 0.000 0.272 534 R C 0.516 176.695 176.300 -0.201 0.000 1.074 534 R CA -0.774 55.113 56.100 -0.355 0.000 1.105 534 R CB 0.235 30.302 30.300 -0.387 0.000 1.008 534 R HN 0.071 nan 8.270 nan 0.000 0.472 535 L N 2.161 123.261 121.223 -0.204 0.000 2.593 535 L HA -0.121 4.219 4.340 0.000 0.000 0.287 535 L C -0.070 176.744 176.870 -0.093 0.000 1.243 535 L CA 1.288 56.056 54.840 -0.120 0.000 0.890 535 L CB 0.185 42.178 42.059 -0.110 0.000 1.134 535 L HN 0.443 nan 8.230 nan 0.000 0.502 536 Q N 3.121 122.883 119.800 -0.064 0.000 2.456 536 Q HA 0.173 4.514 4.340 0.000 0.000 0.252 536 Q C -0.282 175.695 176.000 -0.037 0.000 1.042 536 Q CA -0.362 55.412 55.803 -0.048 0.000 0.766 536 Q CB 0.835 29.550 28.738 -0.038 0.000 1.196 536 Q HN 0.739 nan 8.270 nan 0.000 0.504 537 D N 1.400 121.778 120.400 -0.037 0.000 2.319 537 D HA -0.087 4.553 4.640 0.000 0.000 0.230 537 D C -0.345 175.944 176.300 -0.019 0.000 1.094 537 D CA -0.065 53.919 54.000 -0.027 0.000 0.856 537 D CB 0.193 40.977 40.800 -0.028 0.000 0.915 537 D HN 0.390 nan 8.370 nan 0.000 0.517 538 D N -0.084 120.305 120.400 -0.019 0.000 2.860 538 D HA -0.259 4.381 4.640 0.000 0.000 0.229 538 D C -0.061 176.232 176.300 -0.013 0.000 1.169 538 D CA 1.176 55.168 54.000 -0.014 0.000 0.737 538 D CB -1.668 39.126 40.800 -0.009 0.000 1.080 538 D HN 0.290 nan 8.370 nan 0.000 0.424 539 S N -2.645 113.046 115.700 -0.015 0.000 3.380 539 S HA -0.226 4.244 4.470 0.000 0.000 0.300 539 S C 0.213 174.807 174.600 -0.010 0.000 1.255 539 S CA 0.932 59.124 58.200 -0.014 0.000 0.963 539 S CB -0.691 62.502 63.200 -0.012 0.000 1.106 539 S HN 0.363 nan 8.310 nan 0.000 0.629 540 V N 2.052 121.960 119.914 -0.010 0.000 2.305 540 V HA 0.296 4.416 4.120 0.000 0.000 0.275 540 V C 0.242 176.332 176.094 -0.007 0.000 1.020 540 V CA -0.604 61.693 62.300 -0.007 0.000 0.811 540 V CB 1.399 33.220 31.823 -0.004 0.000 1.031 540 V HN 0.337 nan 8.190 nan 0.000 0.439 541 E N 3.053 123.249 120.200 -0.007 0.000 2.301 541 E HA 0.652 5.002 4.350 0.000 0.000 0.275 541 E C 0.071 176.669 176.600 -0.002 0.000 1.030 541 E CA -0.388 56.008 56.400 -0.006 0.000 0.852 541 E CB 1.871 31.566 29.700 -0.008 0.000 1.060 541 E HN 0.764 nan 8.360 nan 0.000 0.401 542 T N -2.430 112.124 114.554 -0.000 0.000 2.812 542 T HA 0.190 4.540 4.350 0.000 0.000 0.294 542 T C 0.967 175.671 174.700 0.005 0.000 1.159 542 T CA -0.824 61.279 62.100 0.005 0.000 1.008 542 T CB 0.857 69.730 68.868 0.008 0.000 1.289 542 T HN 0.107 nan 8.240 nan 0.000 0.514 543 V N 1.087 121.007 119.914 0.009 0.000 2.380 543 V HA -0.213 3.908 4.120 0.000 0.000 0.251 543 V C 2.898 178.999 176.094 0.011 0.000 1.063 543 V CA 2.777 65.083 62.300 0.011 0.000 1.055 543 V CB -1.516 30.317 31.823 0.016 0.000 0.657 543 V HN 1.100 nan 8.190 nan 0.000 0.455 544 T N 0.533 115.094 114.554 0.012 0.000 2.652 544 T HA -0.202 4.149 4.350 0.000 0.000 0.267 544 T C 2.124 176.825 174.700 0.002 0.000 1.039 544 T CA 2.111 64.217 62.100 0.011 0.000 1.153 544 T CB -0.398 68.479 68.868 0.016 0.000 0.863 544 T HN 0.767 nan 8.240 nan 0.000 0.428 545 S N 1.416 117.114 115.700 -0.003 0.000 2.383 545 S HA -0.004 4.466 4.470 0.000 0.000 0.227 545 S C 2.123 176.713 174.600 -0.017 0.000 1.026 545 S CA 0.729 58.921 58.200 -0.013 0.000 0.981 545 S CB -0.803 62.388 63.200 -0.015 0.000 0.818 545 S HN 0.480 nan 8.310 nan 0.000 0.472 546 I N 1.888 122.452 120.570 -0.010 0.000 2.163 546 I HA -0.154 4.016 4.170 0.000 0.000 0.243 546 I C 2.874 178.985 176.117 -0.010 0.000 1.085 546 I CA 1.525 62.819 61.300 -0.011 0.000 1.347 546 I CB -0.384 37.613 38.000 -0.005 0.000 1.044 546 I HN 0.275 nan 8.210 nan 0.000 0.408 547 E N 0.294 120.493 120.200 -0.002 0.000 2.106 547 E HA -0.253 4.097 4.350 0.000 0.000 0.192 547 E C 2.010 178.609 176.600 -0.002 0.000 0.984 547 E CA 1.059 57.460 56.400 0.003 0.000 0.806 547 E CB -0.327 29.380 29.700 0.012 0.000 0.750 547 E HN 0.410 nan 8.360 nan 0.000 0.458 548 Q N 1.108 120.903 119.800 -0.008 0.000 2.050 548 Q HA -0.062 4.278 4.340 0.000 0.000 0.202 548 Q C 1.986 177.965 176.000 -0.034 0.000 0.980 548 Q CA 2.094 57.888 55.803 -0.016 0.000 0.840 548 Q CB -0.541 28.184 28.738 -0.023 0.000 0.898 548 Q HN 0.187 nan 8.270 nan 0.000 0.424 549 A N 0.427 123.220 122.820 -0.045 0.000 1.902 549 A HA -0.226 4.094 4.320 0.000 0.000 0.217 549 A C 2.026 179.577 177.584 -0.054 0.000 1.181 549 A CA 1.845 53.842 52.037 -0.067 0.000 0.623 549 A CB -0.491 18.474 19.000 -0.059 0.000 0.818 549 A HN 0.439 nan 8.150 nan 0.000 0.443 550 K N -0.552 119.830 120.400 -0.030 0.000 2.026 550 K HA -0.080 4.240 4.320 0.000 0.000 0.208 550 K C 1.869 178.463 176.600 -0.010 0.000 1.048 550 K CA 1.487 57.764 56.287 -0.018 0.000 0.929 550 K CB -0.408 32.087 32.500 -0.007 0.000 0.713 550 K HN 0.283 nan 8.250 nan 0.000 0.439 551 V N 1.817 121.731 119.914 0.000 0.000 2.295 551 V HA -0.252 3.868 4.120 0.000 0.000 0.246 551 V C 2.039 178.151 176.094 0.030 0.000 1.049 551 V CA 1.788 64.100 62.300 0.020 0.000 1.024 551 V CB -0.423 31.420 31.823 0.032 0.000 0.648 551 V HN 0.337 nan 8.190 nan 0.000 0.447 552 E N -0.309 119.894 120.200 0.005 0.000 2.085 552 E HA -0.305 4.045 4.350 0.000 0.000 0.194 552 E C 2.238 178.830 176.600 -0.014 0.000 0.994 552 E CA 1.528 57.920 56.400 -0.014 0.000 0.801 552 E CB -0.123 29.424 29.700 -0.256 0.000 0.743 552 E HN 0.563 nan 8.360 nan 0.000 0.453 553 E N 1.410 121.584 120.200 -0.044 0.000 2.058 553 E HA -0.230 4.120 4.350 0.000 0.000 0.194 553 E C 1.855 178.462 176.600 0.013 0.000 0.997 553 E CA 1.539 57.924 56.400 -0.025 0.000 0.801 553 E CB -0.049 29.633 29.700 -0.030 0.000 0.746 553 E HN -0.062 nan 8.360 nan 0.000 0.450 554 K N 0.142 120.548 120.400 0.009 0.000 2.057 554 K HA -0.024 4.297 4.320 0.000 0.000 0.206 554 K C 1.893 178.481 176.600 -0.019 0.000 1.050 554 K CA 1.227 57.516 56.287 0.002 0.000 0.935 554 K CB -0.398 32.102 32.500 0.001 0.000 0.715 554 K HN 0.173 nan 8.250 nan 0.000 0.439 555 I N 1.073 121.628 120.570 -0.024 0.000 2.394 555 I HA -0.163 4.007 4.170 0.000 0.000 0.251 555 I C 2.192 178.137 176.117 -0.286 0.000 1.136 555 I CA 1.160 62.330 61.300 -0.216 0.000 1.425 555 I CB -1.129 36.764 38.000 -0.178 0.000 1.079 555 I HN 0.346 nan 8.210 nan 0.000 0.425 556 Q N 1.550 121.426 119.800 0.126 0.000 2.079 556 Q HA -0.189 4.151 4.340 0.000 0.000 0.200 556 Q C 2.042 178.136 176.000 0.156 0.000 0.974 556 Q CA 1.718 57.704 55.803 0.305 0.000 0.840 556 Q CB -0.150 28.798 28.738 0.349 0.000 0.898 556 Q HN 0.487 nan 8.270 nan 0.000 0.430 557 E N -0.917 119.327 120.200 0.074 0.000 2.058 557 E HA -0.178 4.172 4.350 0.000 0.000 0.194 557 E C 1.974 178.608 176.600 0.056 0.000 0.997 557 E CA 1.616 58.046 56.400 0.051 0.000 0.801 557 E CB -0.085 29.629 29.700 0.022 0.000 0.746 557 E HN 0.205 nan 8.360 nan 0.000 0.450 558 V N 0.983 120.910 119.914 0.021 0.000 2.255 558 V HA -0.277 3.844 4.120 0.000 0.000 0.247 558 V C 2.044 178.300 176.094 0.271 0.000 1.051 558 V CA 1.863 64.214 62.300 0.085 0.000 1.018 558 V CB -0.714 31.103 31.823 -0.011 0.000 0.641 558 V HN 0.291 nan 8.190 nan 0.000 0.445 559 F N 0.535 120.563 119.950 0.130 0.000 2.087 559 F HA -0.268 4.259 4.527 0.000 0.000 0.299 559 F C 2.777 178.633 175.800 0.095 0.000 1.100 559 F CA 1.514 59.560 58.000 0.077 0.000 1.226 559 F CB -0.412 38.569 39.000 -0.032 0.000 0.983 559 F HN 0.122 nan 8.300 nan 0.000 0.479 560 S N -0.214 115.639 115.700 0.255 0.000 2.400 560 S HA -0.198 4.272 4.470 0.000 0.000 0.232 560 S C 2.022 176.595 174.600 -0.045 0.000 1.025 560 S CA 1.374 59.623 58.200 0.083 0.000 0.993 560 S CB -0.500 62.735 63.200 0.059 0.000 0.808 560 S HN 0.486 nan 8.310 nan 0.000 0.478 561 S N 0.019 115.713 115.700 -0.011 0.000 2.507 561 S HA -0.030 4.440 4.470 0.000 0.000 0.235 561 S C 1.093 175.474 174.600 -0.364 0.000 0.988 561 S CA 0.556 58.638 58.200 -0.197 0.000 0.944 561 S CB -0.525 62.573 63.200 -0.170 0.000 0.762 561 S HN 0.589 nan 8.310 nan 0.000 0.526 562 Y N 1.313 121.534 120.300 -0.131 0.000 2.485 562 Y HA 0.475 5.025 4.550 0.000 0.000 0.260 562 Y C 0.757 176.582 175.900 -0.126 0.000 1.173 562 Y CA -0.409 57.670 58.100 -0.035 0.000 1.252 562 Y CB 0.293 38.788 38.460 0.058 0.000 1.123 562 Y HN 0.203 nan 8.280 nan 0.000 0.524 563 K N 0.212 120.425 120.400 -0.313 0.000 2.270 563 K HA 0.459 4.779 4.320 0.000 0.000 0.255 563 K C -1.688 174.507 176.600 -0.675 0.000 0.936 563 K CA -0.586 55.551 56.287 -0.251 0.000 0.809 563 K CB 0.763 33.200 32.500 -0.105 0.000 1.131 563 K HN -0.045 nan 8.250 nan 0.000 0.427 564 F N 4.518 124.503 119.950 0.058 0.000 2.584 564 F HA 0.300 4.828 4.527 0.000 0.000 0.328 564 F C 0.355 176.196 175.800 0.068 0.000 1.407 564 F CA -0.771 57.260 58.000 0.051 0.000 1.145 564 F CB 0.126 39.151 39.000 0.041 0.000 1.440 564 F HN 0.715 nan 8.300 nan 0.000 0.580 565 N N 0.142 118.925 118.700 0.138 0.000 1.258 565 N HA -0.371 4.369 4.740 0.000 0.000 0.141 565 N C 1.067 176.693 175.510 0.192 0.000 0.811 565 N CA 1.746 54.883 53.050 0.144 0.000 0.960 565 N CB -0.839 37.740 38.487 0.153 0.000 1.205 565 N HN 0.581 nan 8.380 nan 0.000 0.527 566 H N 1.064 120.199 119.070 0.108 0.000 2.556 566 H HA 0.304 4.860 4.556 0.000 0.000 0.268 566 H C 0.163 175.585 175.328 0.157 0.000 0.996 566 H CA 0.349 56.460 56.048 0.106 0.000 1.157 566 H CB -0.112 29.703 29.762 0.088 0.000 1.355 566 H HN 0.278 nan 8.280 nan 0.000 0.597 567 L N 1.269 122.604 121.223 0.187 0.000 2.257 567 L HA 0.351 4.691 4.340 0.000 0.000 0.290 567 L C -1.001 176.019 176.870 0.250 0.000 1.044 567 L CA -0.464 54.507 54.840 0.217 0.000 0.810 567 L CB 1.061 43.264 42.059 0.239 0.000 1.193 567 L HN -0.094 nan 8.230 nan 0.000 0.425 568 V N 7.133 127.150 119.914 0.171 0.000 2.383 568 V HA 0.351 4.471 4.120 0.000 0.000 0.264 568 V C -2.174 174.028 176.094 0.180 0.000 1.001 568 V CA -1.385 61.026 62.300 0.185 0.000 0.828 568 V CB 0.798 32.658 31.823 0.062 0.000 1.069 568 V HN 0.691 nan 8.190 nan 0.000 0.451 569 P HA 0.062 nan 4.420 nan 0.000 0.266 569 P C 0.246 177.642 177.300 0.159 0.000 1.186 569 P CA 0.172 63.382 63.100 0.183 0.000 0.767 569 P CB 0.510 32.294 31.700 0.139 0.000 0.820 570 R N 2.006 122.579 120.500 0.123 0.000 2.570 570 R HA 0.126 4.466 4.340 0.000 0.000 0.277 570 R C 0.213 176.572 176.300 0.099 0.000 1.039 570 R CA -0.314 55.838 56.100 0.087 0.000 1.065 570 R CB -0.143 30.197 30.300 0.066 0.000 0.964 570 R HN 0.477 nan 8.270 nan 0.000 0.428 571 L N 2.913 124.177 121.223 0.069 0.000 2.426 571 L HA 0.189 4.529 4.340 0.000 0.000 0.271 571 L C -0.141 176.765 176.870 0.059 0.000 1.169 571 L CA -0.187 54.691 54.840 0.063 0.000 0.836 571 L CB 0.827 42.876 42.059 -0.017 0.000 1.112 571 L HN 0.298 nan 8.230 nan 0.000 0.465 572 V N 3.957 123.918 119.914 0.078 0.000 2.531 572 V HA 0.262 4.382 4.120 0.000 0.000 0.301 572 V C -0.274 175.854 176.094 0.058 0.000 1.034 572 V CA -0.637 61.699 62.300 0.060 0.000 0.865 572 V CB 2.005 33.865 31.823 0.061 0.000 0.995 572 V HN 0.443 nan 8.190 nan 0.000 0.424 573 L N 4.989 126.243 121.223 0.052 0.000 2.319 573 L HA 0.399 4.739 4.340 0.000 0.000 0.280 573 L C 0.692 177.590 176.870 0.046 0.000 1.099 573 L CA 0.453 55.343 54.840 0.083 0.000 0.828 573 L CB 1.018 43.128 42.059 0.086 0.000 1.150 573 L HN 0.611 nan 8.230 nan 0.000 0.442 574 Q N 5.322 125.106 119.800 -0.026 0.000 3.254 574 Q HA 0.024 4.364 4.340 0.000 0.000 0.315 574 Q C 1.202 177.038 176.000 -0.272 0.000 1.405 574 Q CA 0.140 55.826 55.803 -0.195 0.000 0.966 574 Q CB -0.293 28.247 28.738 -0.331 0.000 1.706 574 Q HN 0.718 nan 8.270 nan 0.000 0.525 575 R N 1.025 121.508 120.500 -0.028 0.000 2.134 575 R HA -0.224 4.116 4.340 0.000 0.000 0.248 575 R C 1.093 177.418 176.300 0.043 0.000 1.143 575 R CA 1.545 57.679 56.100 0.057 0.000 0.957 575 R CB 0.409 30.727 30.300 0.031 0.000 0.867 575 R HN 0.243 nan 8.270 nan 0.000 0.441 576 E N 0.675 120.878 120.200 0.005 0.000 2.072 576 E HA -0.162 4.188 4.350 0.000 0.000 0.191 576 E C 1.940 178.577 176.600 0.061 0.000 0.985 576 E CA 1.364 57.788 56.400 0.039 0.000 0.801 576 E CB -0.098 29.658 29.700 0.093 0.000 0.750 576 E HN 0.442 nan 8.360 nan 0.000 0.452 577 K N -0.063 120.349 120.400 0.021 0.000 2.057 577 K HA -0.146 4.174 4.320 0.000 0.000 0.207 577 K C 2.140 178.796 176.600 0.093 0.000 1.049 577 K CA 1.193 57.505 56.287 0.041 0.000 0.931 577 K CB -0.215 32.214 32.500 -0.119 0.000 0.714 577 K HN 0.208 nan 8.250 nan 0.000 0.440 578 H N -0.210 118.936 119.070 0.127 0.000 2.326 578 H HA -0.114 4.442 4.556 0.000 0.000 0.301 578 H C 1.971 177.413 175.328 0.189 0.000 1.081 578 H CA 1.149 57.296 56.048 0.165 0.000 1.334 578 H CB -0.602 29.227 29.762 0.113 0.000 1.385 578 H HN 0.154 nan 8.280 nan 0.000 0.504 579 F N 2.115 122.110 119.950 0.076 0.000 2.126 579 F HA -0.241 4.286 4.527 0.000 0.000 0.299 579 F C 2.378 178.137 175.800 -0.069 0.000 1.096 579 F CA 1.565 59.525 58.000 -0.068 0.000 1.255 579 F CB -0.451 38.407 39.000 -0.236 0.000 0.997 579 F HN 0.169 nan 8.300 nan 0.000 0.479 580 H N -1.751 117.202 119.070 -0.195 0.000 2.423 580 H HA -0.142 4.414 4.556 0.000 0.000 0.297 580 H C 2.031 177.314 175.328 -0.075 0.000 1.075 580 H CA 1.670 57.551 56.048 -0.278 0.000 1.342 580 H CB -1.032 28.674 29.762 -0.093 0.000 1.395 580 H HN 0.450 nan 8.280 nan 0.000 0.530 581 Y N 1.665 122.000 120.300 0.059 0.000 2.163 581 Y HA -0.144 4.406 4.550 0.000 0.000 0.288 581 Y C 2.368 178.372 175.900 0.174 0.000 1.136 581 Y CA 0.971 59.136 58.100 0.107 0.000 1.147 581 Y CB -0.724 37.803 38.460 0.111 0.000 0.987 581 Y HN -0.014 nan 8.280 nan 0.000 0.509 582 L N 0.590 121.803 121.223 -0.015 0.000 1.970 582 L HA -0.273 4.068 4.340 0.000 0.000 0.212 582 L C 2.663 179.414 176.870 -0.198 0.000 1.071 582 L CA 2.186 56.972 54.840 -0.090 0.000 0.751 582 L CB -0.812 41.265 42.059 0.029 0.000 0.889 582 L HN 0.134 nan 8.230 nan 0.000 0.432 583 K N 0.124 120.372 120.400 -0.253 0.000 2.144 583 K HA -0.305 4.015 4.320 0.000 0.000 0.209 583 K C 2.331 178.806 176.600 -0.207 0.000 1.047 583 K CA 1.923 58.043 56.287 -0.279 0.000 0.927 583 K CB -0.025 32.161 32.500 -0.524 0.000 0.716 583 K HN 0.016 nan 8.250 nan 0.000 0.454 584 R N 0.161 120.558 120.500 -0.172 0.000 2.062 584 R HA -0.020 4.320 4.340 0.000 0.000 0.229 584 R C 2.245 178.433 176.300 -0.186 0.000 1.128 584 R CA 2.075 58.100 56.100 -0.125 0.000 0.960 584 R CB -1.207 29.070 30.300 -0.038 0.000 0.855 584 R HN 0.311 nan 8.270 nan 0.000 0.432 585 G N 0.813 109.455 108.800 -0.263 0.000 2.432 585 G HA2 -0.230 3.731 3.960 0.000 0.000 0.219 585 G HA3 -0.230 3.731 3.960 0.000 0.000 0.219 585 G C 1.280 175.850 174.900 -0.550 0.000 1.135 585 G CA 0.811 45.609 45.100 -0.504 0.000 0.767 585 G HN 0.351 nan 8.290 nan 0.000 0.550 586 L N 0.034 120.999 121.223 -0.429 0.000 2.187 586 L HA 0.041 4.381 4.340 0.000 0.000 0.213 586 L C 2.615 179.308 176.870 -0.294 0.000 1.100 586 L CA 1.488 56.121 54.840 -0.345 0.000 0.765 586 L CB -0.158 41.761 42.059 -0.233 0.000 0.904 586 L HN 0.045 nan 8.230 nan 0.000 0.437 587 R N -1.189 119.162 120.500 -0.249 0.000 2.087 587 R HA 0.237 4.577 4.340 0.000 0.000 0.213 587 R C 0.599 176.775 176.300 -0.207 0.000 1.137 587 R CA 0.437 56.415 56.100 -0.203 0.000 1.022 587 R CB -0.098 30.116 30.300 -0.143 0.000 0.920 587 R HN 0.413 nan 8.270 nan 0.000 0.451 588 Q N 0.042 119.727 119.800 -0.191 0.000 2.423 588 Q HA 0.586 4.927 4.340 0.000 0.000 0.278 588 Q C -1.583 174.318 176.000 -0.165 0.000 1.097 588 Q CA -0.527 55.184 55.803 -0.153 0.000 0.809 588 Q CB 2.245 30.928 28.738 -0.092 0.000 1.391 588 Q HN 0.018 nan 8.270 nan 0.000 0.428 589 L N 1.400 122.546 121.223 -0.129 0.000 2.422 589 L HA 0.504 4.844 4.340 0.000 0.000 0.264 589 L C 0.288 177.179 176.870 0.035 0.000 0.984 589 L CA -0.978 53.793 54.840 -0.115 0.000 0.819 589 L CB 2.156 44.056 42.059 -0.266 0.000 1.330 589 L HN 0.815 nan 8.230 nan 0.000 0.410 590 T N -3.166 111.471 114.554 0.139 0.000 2.667 590 T HA 0.016 4.366 4.350 0.000 0.000 0.305 590 T C 0.782 175.603 174.700 0.201 0.000 1.022 590 T CA 0.141 62.341 62.100 0.166 0.000 0.995 590 T CB 0.445 69.427 68.868 0.190 0.000 1.026 590 T HN 0.759 nan 8.240 nan 0.000 0.527 591 D N -0.597 119.892 120.400 0.147 0.000 2.378 591 D HA 0.097 4.737 4.640 0.000 0.000 0.227 591 D C 1.873 178.257 176.300 0.140 0.000 1.012 591 D CA 0.717 54.794 54.000 0.128 0.000 0.905 591 D CB -0.676 40.173 40.800 0.083 0.000 0.895 591 D HN 0.661 nan 8.370 nan 0.000 0.532 592 A N -0.390 122.535 122.820 0.175 0.000 2.121 592 A HA -0.086 4.234 4.320 0.000 0.000 0.218 592 A C 0.994 178.584 177.584 0.009 0.000 1.154 592 A CA 0.479 52.573 52.037 0.094 0.000 0.679 592 A CB -0.813 18.250 19.000 0.104 0.000 0.795 592 A HN 0.320 nan 8.150 nan 0.000 0.458 593 Y N 0.050 120.420 120.300 0.117 0.000 2.532 593 Y HA 0.169 4.719 4.550 0.000 0.000 0.283 593 Y C 1.748 177.707 175.900 0.097 0.000 1.181 593 Y CA -0.085 58.096 58.100 0.134 0.000 1.256 593 Y CB -0.053 38.502 38.460 0.159 0.000 1.112 593 Y HN 0.440 nan 8.280 nan 0.000 0.521 594 E N -0.500 119.790 120.200 0.150 0.000 2.204 594 E HA -0.200 4.150 4.350 0.000 0.000 0.194 594 E C 1.964 178.614 176.600 0.084 0.000 0.989 594 E CA 1.350 57.813 56.400 0.106 0.000 0.824 594 E CB -0.131 29.613 29.700 0.074 0.000 0.756 594 E HN 0.639 nan 8.360 nan 0.000 0.477 595 C N -0.616 118.723 119.300 0.065 0.000 2.491 595 C HA 0.126 4.587 4.460 0.000 0.000 0.277 595 C C 1.653 176.689 174.990 0.077 0.000 1.455 595 C CA -0.196 58.852 59.018 0.051 0.000 1.758 595 C CB -0.983 26.771 27.740 0.023 0.000 1.745 595 C HN 0.221 nan 8.230 nan 0.000 0.558 596 L N 0.642 121.941 121.223 0.125 0.000 3.014 596 L HA 0.228 4.568 4.340 0.000 0.000 0.263 596 L C 1.585 178.529 176.870 0.123 0.000 1.207 596 L CA 0.186 55.120 54.840 0.157 0.000 1.017 596 L CB -0.244 41.990 42.059 0.291 0.000 1.360 596 L HN 0.164 nan 8.230 nan 0.000 0.560 597 D N 1.461 121.918 120.400 0.095 0.000 2.309 597 D HA -0.145 4.495 4.640 0.000 0.000 0.212 597 D C 1.727 178.055 176.300 0.046 0.000 0.968 597 D CA 1.146 55.190 54.000 0.074 0.000 0.882 597 D CB 0.482 41.317 40.800 0.058 0.000 0.918 597 D HN 0.293 nan 8.370 nan 0.000 0.503 598 A N -1.045 121.787 122.820 0.020 0.000 2.460 598 A HA 0.390 4.711 4.320 0.000 0.000 0.258 598 A C 0.912 178.472 177.584 -0.040 0.000 1.300 598 A CA -0.222 51.801 52.037 -0.023 0.000 0.913 598 A CB 0.397 19.363 19.000 -0.057 0.000 1.031 598 A HN 0.046 nan 8.150 nan 0.000 0.512 599 S N -0.807 114.891 115.700 -0.003 0.000 2.825 599 S HA 0.206 4.676 4.470 0.000 0.000 0.242 599 S C 1.104 175.682 174.600 -0.037 0.000 0.980 599 S CA -0.467 57.711 58.200 -0.038 0.000 1.107 599 S CB 0.007 63.183 63.200 -0.039 0.000 1.172 599 S HN 0.603 nan 8.310 nan 0.000 0.483 600 R N 1.610 122.137 120.500 0.044 0.000 2.075 600 R HA 0.034 4.375 4.340 0.000 0.000 0.226 600 R C -1.124 175.223 176.300 0.079 0.000 1.114 600 R CA 1.026 57.173 56.100 0.078 0.000 0.972 600 R CB -1.176 29.260 30.300 0.227 0.000 0.869 600 R HN 0.257 nan 8.270 nan 0.000 0.437 601 P HA -0.087 nan 4.420 nan 0.000 0.219 601 P C 0.813 178.072 177.300 -0.069 0.000 1.146 601 P CA 1.409 64.552 63.100 0.072 0.000 0.808 601 P CB 0.048 31.754 31.700 0.011 0.000 0.779 602 T N -0.707 113.738 114.554 -0.181 0.000 2.821 602 T HA -0.060 4.291 4.350 0.000 0.000 0.267 602 T C 1.710 175.956 174.700 -0.757 0.000 1.046 602 T CA 0.947 62.780 62.100 -0.445 0.000 1.139 602 T CB -0.799 67.738 68.868 -0.552 0.000 0.871 602 T HN 0.080 nan 8.240 nan 0.000 0.454 603 L N 0.292 121.228 121.223 -0.478 0.000 2.093 603 L HA -0.091 4.249 4.340 0.000 0.000 0.208 603 L C 2.832 179.612 176.870 -0.150 0.000 1.085 603 L CA 0.721 55.429 54.840 -0.219 0.000 0.755 603 L CB -0.532 41.459 42.059 -0.113 0.000 0.904 603 L HN 0.381 nan 8.230 nan 0.000 0.435 604 C N -1.080 118.139 119.300 -0.135 0.000 2.413 604 C HA -0.257 4.203 4.460 0.000 0.000 0.278 604 C C 2.755 177.733 174.990 -0.020 0.000 1.224 604 C CA 1.046 60.014 59.018 -0.082 0.000 1.732 604 C CB -0.741 26.996 27.740 -0.005 0.000 2.050 604 C HN 0.595 nan 8.230 nan 0.000 0.463 605 Y N 0.527 120.754 120.300 -0.122 0.000 2.128 605 Y HA -0.222 4.328 4.550 0.000 0.000 0.284 605 Y C 2.254 178.206 175.900 0.087 0.000 1.154 605 Y CA 1.652 59.715 58.100 -0.062 0.000 1.149 605 Y CB -0.763 37.633 38.460 -0.107 0.000 0.976 605 Y HN 0.414 nan 8.280 nan 0.000 0.505 606 W N 0.686 121.850 121.300 -0.226 0.000 2.317 606 W HA -0.269 4.391 4.660 0.000 0.000 0.318 606 W C 2.575 178.932 176.519 -0.270 0.000 1.227 606 W CA 1.742 58.897 57.345 -0.317 0.000 1.269 606 W CB -1.377 28.102 29.460 0.031 0.000 1.155 606 W HN 0.183 nan 8.180 nan 0.000 0.484 607 I N -0.393 120.211 120.570 0.058 0.000 2.252 607 I HA -0.314 3.856 4.170 0.000 0.000 0.245 607 I C 2.432 178.502 176.117 -0.078 0.000 1.102 607 I CA 1.152 62.416 61.300 -0.058 0.000 1.385 607 I CB -0.818 37.037 38.000 -0.243 0.000 1.064 607 I HN -0.127 nan 8.210 nan 0.000 0.414 608 L N -0.247 120.929 121.223 -0.077 0.000 2.056 608 L HA -0.249 4.091 4.340 0.000 0.000 0.207 608 L C 2.764 179.609 176.870 -0.042 0.000 1.078 608 L CA 1.413 56.225 54.840 -0.046 0.000 0.749 608 L CB -0.876 41.175 42.059 -0.013 0.000 0.901 608 L HN 0.312 nan 8.230 nan 0.000 0.433 609 H N -0.094 118.832 119.070 -0.240 0.000 2.387 609 H HA -0.117 4.439 4.556 0.000 0.000 0.299 609 H C 2.365 177.560 175.328 -0.222 0.000 1.090 609 H CA 1.594 57.474 56.048 -0.280 0.000 1.332 609 H CB 0.058 29.464 29.762 -0.594 0.000 1.386 609 H HN 0.136 nan 8.280 nan 0.000 0.516 610 S N -0.074 115.464 115.700 -0.271 0.000 2.356 610 S HA -0.110 4.360 4.470 0.000 0.000 0.223 610 S C 2.354 176.861 174.600 -0.155 0.000 1.032 610 S CA 1.300 59.348 58.200 -0.254 0.000 1.005 610 S CB -0.294 62.833 63.200 -0.123 0.000 0.867 610 S HN 0.360 nan 8.310 nan 0.000 0.449 611 L N 1.296 122.475 121.223 -0.074 0.000 2.046 611 L HA -0.132 4.208 4.340 0.000 0.000 0.208 611 L C 2.727 179.563 176.870 -0.057 0.000 1.077 611 L CA 1.490 56.324 54.840 -0.010 0.000 0.747 611 L CB -0.581 41.499 42.059 0.034 0.000 0.896 611 L HN 0.408 nan 8.230 nan 0.000 0.432 612 E N 0.940 121.093 120.200 -0.079 0.000 2.038 612 E HA -0.253 4.097 4.350 0.000 0.000 0.195 612 E C 2.349 178.886 176.600 -0.105 0.000 1.000 612 E CA 1.457 57.819 56.400 -0.064 0.000 0.803 612 E CB -0.160 29.538 29.700 -0.004 0.000 0.750 612 E HN 0.430 nan 8.360 nan 0.000 0.448 613 L N 0.585 121.676 121.223 -0.220 0.000 2.042 613 L HA -0.204 4.136 4.340 0.000 0.000 0.210 613 L C 2.562 179.370 176.870 -0.104 0.000 1.076 613 L CA 0.964 55.683 54.840 -0.203 0.000 0.749 613 L CB -0.324 41.522 42.059 -0.355 0.000 0.893 613 L HN 0.286 nan 8.230 nan 0.000 0.432 614 L N -0.487 120.679 121.223 -0.096 0.000 2.610 614 L HA -0.085 4.255 4.340 0.000 0.000 0.232 614 L C 0.468 177.294 176.870 -0.074 0.000 1.149 614 L CA 0.135 54.941 54.840 -0.057 0.000 0.872 614 L CB -0.523 41.523 42.059 -0.022 0.000 0.992 614 L HN 0.317 nan 8.230 nan 0.000 0.447 615 D N 1.071 121.427 120.400 -0.074 0.000 2.708 615 D HA -0.189 4.451 4.640 0.000 0.000 0.236 615 D C -0.066 176.161 176.300 -0.121 0.000 1.146 615 D CA 0.589 54.542 54.000 -0.077 0.000 0.662 615 D CB -0.327 40.437 40.800 -0.061 0.000 1.059 615 D HN 0.250 nan 8.370 nan 0.000 0.428 616 E N 1.116 121.234 120.200 -0.137 0.000 2.081 616 E HA 0.299 4.649 4.350 0.000 0.000 0.276 616 E C -1.908 174.624 176.600 -0.113 0.000 0.950 616 E CA -1.623 54.640 56.400 -0.227 0.000 0.776 616 E CB 1.104 30.633 29.700 -0.285 0.000 1.094 616 E HN 0.327 nan 8.360 nan 0.000 0.402 617 P HA 0.090 nan 4.420 nan 0.000 0.267 617 P C -0.201 177.093 177.300 -0.011 0.000 1.200 617 P CA -0.184 62.884 63.100 -0.054 0.000 0.772 617 P CB 0.865 32.531 31.700 -0.058 0.000 0.855 618 I N 3.368 123.933 120.570 -0.010 0.000 2.307 618 I HA 0.262 4.432 4.170 0.000 0.000 0.289 618 I C -1.974 174.139 176.117 -0.006 0.000 1.021 618 I CA -2.925 58.376 61.300 0.001 0.000 1.224 618 I CB -0.076 37.916 38.000 -0.014 0.000 1.376 618 I HN 0.169 nan 8.210 nan 0.000 0.470 619 P HA 0.118 nan 4.420 nan 0.000 0.264 619 P C 0.877 178.169 177.300 -0.014 0.000 1.193 619 P CA -0.122 62.977 63.100 -0.001 0.000 0.763 619 P CB 0.621 32.327 31.700 0.010 0.000 0.810 620 Q N 1.767 121.555 119.800 -0.019 0.000 2.197 620 Q HA -0.203 4.137 4.340 0.000 0.000 0.211 620 Q C 1.579 177.565 176.000 -0.023 0.000 0.993 620 Q CA 1.263 57.050 55.803 -0.027 0.000 0.883 620 Q CB -0.279 28.443 28.738 -0.026 0.000 0.916 620 Q HN 0.502 nan 8.270 nan 0.000 0.418 621 I N -0.071 120.488 120.570 -0.017 0.000 2.202 621 I HA -0.198 3.972 4.170 0.000 0.000 0.242 621 I C 2.356 178.462 176.117 -0.018 0.000 1.091 621 I CA 1.054 62.344 61.300 -0.016 0.000 1.368 621 I CB -1.123 36.869 38.000 -0.012 0.000 1.058 621 I HN 0.065 nan 8.210 nan 0.000 0.410 622 V N 1.460 121.362 119.914 -0.020 0.000 2.343 622 V HA -0.238 3.882 4.120 0.000 0.000 0.247 622 V C 2.868 178.946 176.094 -0.027 0.000 1.051 622 V CA 1.713 63.997 62.300 -0.028 0.000 1.036 622 V CB -1.249 30.557 31.823 -0.028 0.000 0.654 622 V HN 0.438 nan 8.190 nan 0.000 0.451 623 A N -0.112 122.692 122.820 -0.027 0.000 1.908 623 A HA -0.263 4.057 4.320 0.000 0.000 0.218 623 A C 2.395 179.966 177.584 -0.023 0.000 1.181 623 A CA 2.692 54.711 52.037 -0.031 0.000 0.627 623 A CB -1.064 17.909 19.000 -0.045 0.000 0.818 623 A HN 0.499 nan 8.150 nan 0.000 0.445 624 T N -0.082 114.460 114.554 -0.021 0.000 2.867 624 T HA -0.091 4.259 4.350 0.000 0.000 0.268 624 T C 1.416 176.121 174.700 0.008 0.000 1.057 624 T CA 1.428 63.522 62.100 -0.011 0.000 1.136 624 T CB -0.348 68.512 68.868 -0.013 0.000 0.874 624 T HN 0.459 nan 8.240 nan 0.000 0.466 625 D N 0.801 121.205 120.400 0.006 0.000 2.117 625 D HA -0.026 4.614 4.640 0.000 0.000 0.198 625 D C 2.258 178.592 176.300 0.057 0.000 0.982 625 D CA 0.569 54.581 54.000 0.021 0.000 0.828 625 D CB -0.453 40.343 40.800 -0.007 0.000 0.967 625 D HN 0.193 nan 8.370 nan 0.000 0.464 626 V N 0.562 120.498 119.914 0.036 0.000 2.343 626 V HA -0.273 3.847 4.120 0.000 0.000 0.247 626 V C 2.706 178.873 176.094 0.121 0.000 1.051 626 V CA 1.183 63.529 62.300 0.077 0.000 1.036 626 V CB -0.543 31.293 31.823 0.021 0.000 0.654 626 V HN 0.289 nan 8.190 nan 0.000 0.451 627 C N -0.354 118.984 119.300 0.064 0.000 2.413 627 C HA -0.221 4.239 4.460 0.000 0.000 0.276 627 C C 2.918 177.954 174.990 0.077 0.000 1.236 627 C CA 1.381 60.433 59.018 0.057 0.000 1.735 627 C CB -1.070 26.682 27.740 0.020 0.000 2.031 627 C HN 0.618 nan 8.230 nan 0.000 0.474 628 Q N -0.762 119.084 119.800 0.077 0.000 2.050 628 Q HA -0.224 4.116 4.340 0.000 0.000 0.202 628 Q C 2.068 178.123 176.000 0.091 0.000 0.980 628 Q CA 1.783 57.629 55.803 0.071 0.000 0.840 628 Q CB -0.494 28.283 28.738 0.064 0.000 0.898 628 Q HN 0.754 nan 8.270 nan 0.000 0.424 629 F N 1.663 121.618 119.950 0.007 0.000 2.095 629 F HA -0.204 4.323 4.527 0.000 0.000 0.298 629 F C 1.805 177.631 175.800 0.042 0.000 1.104 629 F CA 1.370 59.376 58.000 0.009 0.000 1.232 629 F CB -0.235 38.758 39.000 -0.012 0.000 0.987 629 F HN -0.046 nan 8.300 nan 0.000 0.475 630 L N -0.042 121.161 121.223 -0.032 0.000 2.275 630 L HA -0.175 4.165 4.340 0.000 0.000 0.215 630 L C 2.421 179.334 176.870 0.073 0.000 1.119 630 L CA 1.602 56.428 54.840 -0.024 0.000 0.790 630 L CB -0.803 41.310 42.059 0.090 0.000 0.919 630 L HN 0.299 nan 8.230 nan 0.000 0.443 631 E N 0.832 121.044 120.200 0.019 0.000 2.107 631 E HA -0.175 4.176 4.350 0.000 0.000 0.191 631 E C 2.307 178.842 176.600 -0.107 0.000 0.982 631 E CA 0.717 57.111 56.400 -0.010 0.000 0.809 631 E CB 0.059 29.760 29.700 0.002 0.000 0.756 631 E HN 0.479 nan 8.360 nan 0.000 0.459 632 L N 0.214 121.346 121.223 -0.153 0.000 2.275 632 L HA -0.136 4.204 4.340 0.000 0.000 0.215 632 L C 2.106 178.830 176.870 -0.245 0.000 1.119 632 L CA 0.364 55.094 54.840 -0.183 0.000 0.790 632 L CB -0.055 41.901 42.059 -0.172 0.000 0.919 632 L HN 0.385 nan 8.230 nan 0.000 0.443 633 C N -1.283 117.837 119.300 -0.300 0.000 2.673 633 C HA 0.028 4.488 4.460 0.000 0.000 0.264 633 C C 1.449 176.322 174.990 -0.195 0.000 1.304 633 C CA -0.550 58.327 59.018 -0.235 0.000 1.727 633 C CB -0.710 26.889 27.740 -0.235 0.000 1.932 633 C HN 0.400 nan 8.230 nan 0.000 0.563 634 Q N 1.743 121.343 119.800 -0.333 0.000 2.313 634 Q HA 0.191 4.531 4.340 0.000 0.000 0.266 634 Q C 0.286 176.040 176.000 -0.410 0.000 0.989 634 Q CA 0.229 55.621 55.803 -0.685 0.000 0.890 634 Q CB 0.630 28.873 28.738 -0.826 0.000 1.200 634 Q HN 0.466 nan 8.270 nan 0.000 0.396 635 S N 3.722 119.176 115.700 -0.410 0.000 2.610 635 S HA 0.341 4.811 4.470 0.000 0.000 0.273 635 S C -1.627 172.828 174.600 -0.241 0.000 1.274 635 S CA -1.511 56.531 58.200 -0.265 0.000 1.023 635 S CB 0.785 63.830 63.200 -0.258 0.000 0.962 635 S HN 0.668 nan 8.310 nan 0.000 0.523 636 P HA -0.062 nan 4.420 nan 0.000 0.225 636 P C 0.625 177.856 177.300 -0.116 0.000 1.156 636 P CA 0.832 63.858 63.100 -0.123 0.000 0.787 636 P CB -0.116 31.535 31.700 -0.082 0.000 0.802 637 E N -0.014 120.110 120.200 -0.127 0.000 2.502 637 E HA 0.305 4.655 4.350 0.000 0.000 0.194 637 E C 0.668 177.199 176.600 -0.115 0.000 1.062 637 E CA 0.121 56.464 56.400 -0.095 0.000 0.867 637 E CB -0.410 29.245 29.700 -0.074 0.000 0.888 637 E HN 0.129 nan 8.360 nan 0.000 0.510 638 G N -0.492 108.180 108.800 -0.213 0.000 2.629 638 G HA2 0.287 4.247 3.960 0.000 0.000 0.686 638 G HA3 0.287 4.247 3.960 0.000 0.000 0.686 638 G C 0.295 174.904 174.900 -0.486 0.000 1.232 638 G CA -0.634 44.327 45.100 -0.231 0.000 0.803 638 G HN 1.011 nan 8.290 nan 0.000 0.638 639 G N -0.873 107.713 108.800 -0.357 0.000 2.725 639 G HA2 0.382 4.343 3.960 0.000 0.000 0.220 639 G HA3 0.382 4.343 3.960 0.000 0.000 0.220 639 G C -0.507 174.142 174.900 -0.418 0.000 1.357 639 G CA 0.219 45.153 45.100 -0.277 0.000 0.866 639 G HN 1.833 nan 8.290 nan 0.000 0.548 640 F N 0.289 120.147 119.950 -0.153 0.000 2.563 640 F HA 0.714 5.241 4.527 0.000 0.000 0.316 640 F C 1.031 176.792 175.800 -0.066 0.000 1.076 640 F CA 0.136 58.069 58.000 -0.111 0.000 0.921 640 F CB 2.044 40.998 39.000 -0.077 0.000 1.209 640 F HN 0.858 nan 8.300 nan 0.000 0.462 641 G N -0.004 108.845 108.800 0.081 0.000 2.557 641 G HA2 0.446 4.406 3.960 0.000 0.000 0.302 641 G HA3 0.446 4.406 3.960 0.000 0.000 0.302 641 G C 0.854 175.781 174.900 0.045 0.000 1.311 641 G CA -0.352 44.782 45.100 0.058 0.000 1.030 641 G HN 0.896 nan 8.290 nan 0.000 0.509 642 G N -1.712 107.091 108.800 0.004 0.000 2.534 642 G HA2 0.430 4.390 3.960 0.000 0.000 0.217 642 G HA3 0.430 4.390 3.960 0.000 0.000 0.217 642 G C 0.687 175.603 174.900 0.026 0.000 1.128 642 G CA 1.079 46.175 45.100 -0.006 0.000 0.784 642 G HN 1.241 nan 8.290 nan 0.000 0.542 643 G N -1.443 107.356 108.800 -0.002 0.000 2.523 643 G HA2 0.495 4.456 3.960 0.000 0.000 0.291 643 G HA3 0.495 4.456 3.960 0.000 0.000 0.291 643 G C -3.392 171.467 174.900 -0.068 0.000 1.450 643 G CA -1.013 44.092 45.100 0.009 0.000 0.790 643 G HN -0.107 nan 8.290 nan 0.000 0.496 644 P HA 0.261 nan 4.420 nan 0.000 0.262 644 P C 1.127 178.385 177.300 -0.069 0.000 1.182 644 P CA 2.079 65.117 63.100 -0.104 0.000 0.761 644 P CB 0.874 32.535 31.700 -0.065 0.000 0.795 645 G N 1.607 110.362 108.800 -0.075 0.000 2.205 645 G HA2 -0.278 3.682 3.960 0.000 0.000 0.261 645 G HA3 -0.278 3.682 3.960 0.000 0.000 0.261 645 G C 0.147 174.995 174.900 -0.086 0.000 0.980 645 G CA -0.202 44.859 45.100 -0.065 0.000 0.632 645 G HN 0.583 nan 8.290 nan 0.000 0.533 646 Q N -0.278 119.469 119.800 -0.088 0.000 2.299 646 Q HA 0.481 4.822 4.340 0.000 0.000 0.246 646 Q C 0.180 176.176 176.000 -0.007 0.000 0.935 646 Q CA -0.577 55.157 55.803 -0.115 0.000 0.887 646 Q CB 0.764 29.453 28.738 -0.082 0.000 1.223 646 Q HN 0.526 nan 8.270 nan 0.000 0.439 647 Y N 2.230 122.501 120.300 -0.047 0.000 2.607 647 Y HA 0.009 4.559 4.550 0.000 0.000 0.348 647 Y C -1.554 174.321 175.900 -0.040 0.000 1.261 647 Y CA -1.753 56.322 58.100 -0.042 0.000 1.480 647 Y CB 0.043 38.498 38.460 -0.008 0.000 1.358 647 Y HN 0.439 nan 8.280 nan 0.000 0.630 648 P HA 0.028 nan 4.420 nan 0.000 0.274 648 P C -1.116 176.328 177.300 0.240 0.000 1.231 648 P CA 0.386 63.450 63.100 -0.059 0.000 0.790 648 P CB 1.243 32.567 31.700 -0.628 0.000 0.951 649 H N 2.030 121.214 119.070 0.189 0.000 3.029 649 H HA 0.191 4.747 4.556 0.000 0.000 0.358 649 H C 0.740 176.247 175.328 0.299 0.000 1.129 649 H CA -0.529 55.700 56.048 0.302 0.000 1.230 649 H CB 1.644 31.513 29.762 0.179 0.000 1.827 649 H HN 0.197 nan 8.280 nan 0.000 0.530 650 L N 2.979 124.353 121.223 0.251 0.000 2.187 650 L HA -0.164 4.176 4.340 0.000 0.000 0.213 650 L C 2.543 179.605 176.870 0.320 0.000 1.100 650 L CA 1.465 56.452 54.840 0.245 0.000 0.765 650 L CB -0.417 41.683 42.059 0.068 0.000 0.904 650 L HN 0.664 nan 8.230 nan 0.000 0.437 651 A N 1.071 124.201 122.820 0.518 0.000 1.835 651 A HA -0.128 4.192 4.320 0.000 0.000 0.215 651 A C -0.001 177.751 177.584 0.279 0.000 1.199 651 A CA 1.848 54.114 52.037 0.382 0.000 0.615 651 A CB -1.941 17.275 19.000 0.359 0.000 0.838 651 A HN 0.288 nan 8.150 nan 0.000 0.444 652 P HA -0.096 nan 4.420 nan 0.000 0.220 652 P C 1.268 178.615 177.300 0.079 0.000 1.148 652 P CA 1.709 64.874 63.100 0.108 0.000 0.803 652 P CB -0.358 31.398 31.700 0.092 0.000 0.782 653 T N -0.615 114.052 114.554 0.189 0.000 2.708 653 T HA -0.192 4.159 4.350 0.000 0.000 0.266 653 T C 1.729 176.413 174.700 -0.026 0.000 1.037 653 T CA 1.306 63.501 62.100 0.158 0.000 1.146 653 T CB -1.166 67.888 68.868 0.311 0.000 0.865 653 T HN 0.103 nan 8.240 nan 0.000 0.435 654 Y N 2.240 122.507 120.300 -0.055 0.000 2.128 654 Y HA -0.119 4.431 4.550 0.000 0.000 0.284 654 Y C 2.527 178.271 175.900 -0.260 0.000 1.154 654 Y CA 1.238 59.255 58.100 -0.139 0.000 1.149 654 Y CB -0.749 37.660 38.460 -0.085 0.000 0.976 654 Y HN 0.167 nan 8.280 nan 0.000 0.505 655 A N 0.867 123.571 122.820 -0.193 0.000 1.883 655 A HA -0.155 4.165 4.320 0.000 0.000 0.217 655 A C 2.435 179.784 177.584 -0.391 0.000 1.186 655 A CA 2.162 53.985 52.037 -0.356 0.000 0.624 655 A CB -1.626 17.319 19.000 -0.092 0.000 0.822 655 A HN 0.692 nan 8.150 nan 0.000 0.444 656 A N -0.764 121.797 122.820 -0.430 0.000 1.933 656 A HA 0.022 4.342 4.320 0.000 0.000 0.218 656 A C 2.212 179.422 177.584 -0.622 0.000 1.175 656 A CA 1.807 53.461 52.037 -0.639 0.000 0.628 656 A CB -0.774 17.422 19.000 -1.341 0.000 0.814 656 A HN 0.396 nan 8.150 nan 0.000 0.444 657 V N 0.431 120.001 119.914 -0.573 0.000 2.379 657 V HA -0.182 3.938 4.120 0.000 0.000 0.245 657 V C 2.258 178.175 176.094 -0.296 0.000 1.044 657 V CA 2.028 64.103 62.300 -0.375 0.000 1.036 657 V CB -0.943 30.695 31.823 -0.308 0.000 0.664 657 V HN 0.520 nan 8.190 nan 0.000 0.453 658 N N 0.633 119.071 118.700 -0.437 0.000 2.188 658 N HA -0.086 4.655 4.740 0.000 0.000 0.184 658 N C 1.844 177.291 175.510 -0.105 0.000 1.018 658 N CA 1.555 54.391 53.050 -0.357 0.000 0.858 658 N CB -0.478 37.557 38.487 -0.753 0.000 0.989 658 N HN 0.456 nan 8.380 nan 0.000 0.426 659 A N 0.638 123.405 122.820 -0.088 0.000 1.902 659 A HA -0.057 4.263 4.320 0.000 0.000 0.217 659 A C 2.242 179.818 177.584 -0.015 0.000 1.181 659 A CA 0.946 52.993 52.037 0.017 0.000 0.623 659 A CB -0.721 18.278 19.000 -0.002 0.000 0.818 659 A HN 0.255 nan 8.150 nan 0.000 0.443 660 L N -1.022 120.171 121.223 -0.049 0.000 2.141 660 L HA -0.207 4.133 4.340 0.000 0.000 0.209 660 L C 2.474 179.376 176.870 0.052 0.000 1.094 660 L CA 0.956 55.794 54.840 -0.003 0.000 0.763 660 L CB -0.499 41.581 42.059 0.035 0.000 0.908 660 L HN 0.486 nan 8.230 nan 0.000 0.437 661 C N -0.500 118.855 119.300 0.092 0.000 2.464 661 C HA 0.006 4.466 4.460 0.000 0.000 0.278 661 C C 2.659 177.702 174.990 0.089 0.000 1.375 661 C CA -0.032 59.098 59.018 0.188 0.000 1.761 661 C CB -0.414 27.392 27.740 0.110 0.000 1.944 661 C HN 0.419 nan 8.230 nan 0.000 0.509 662 I N 0.869 121.468 120.570 0.048 0.000 2.252 662 I HA -0.171 3.999 4.170 0.000 0.000 0.245 662 I C 2.228 178.343 176.117 -0.003 0.000 1.102 662 I CA 1.687 63.016 61.300 0.048 0.000 1.385 662 I CB -0.294 37.752 38.000 0.076 0.000 1.064 662 I HN 0.283 nan 8.210 nan 0.000 0.414 663 I N 0.627 121.172 120.570 -0.042 0.000 2.315 663 I HA -0.171 4.000 4.170 0.000 0.000 0.248 663 I C 1.927 177.932 176.117 -0.186 0.000 1.117 663 I CA 1.155 62.396 61.300 -0.099 0.000 1.404 663 I CB -0.832 37.103 38.000 -0.108 0.000 1.071 663 I HN 0.458 nan 8.210 nan 0.000 0.419 664 G N 1.801 110.440 108.800 -0.268 0.000 2.212 664 G HA2 -0.308 3.652 3.960 0.000 0.000 0.267 664 G HA3 -0.308 3.652 3.960 0.000 0.000 0.267 664 G C 0.471 174.871 174.900 -0.834 0.000 1.002 664 G CA 0.759 45.565 45.100 -0.490 0.000 0.729 664 G HN 0.520 nan 8.290 nan 0.000 0.517 665 T N -3.320 110.788 114.554 -0.742 0.000 2.918 665 T HA 0.615 4.965 4.350 0.000 0.000 0.283 665 T C 1.029 175.248 174.700 -0.802 0.000 1.001 665 T CA 0.177 61.923 62.100 -0.589 0.000 1.041 665 T CB 1.953 70.630 68.868 -0.320 0.000 1.028 665 T HN 0.195 nan 8.240 nan 0.000 0.511 666 E N 0.054 119.953 120.200 -0.501 0.000 2.204 666 E HA -0.179 4.171 4.350 0.000 0.000 0.195 666 E C 1.962 178.443 176.600 -0.197 0.000 0.990 666 E CA 1.038 57.214 56.400 -0.375 0.000 0.821 666 E CB 0.043 29.647 29.700 -0.160 0.000 0.750 666 E HN 0.900 nan 8.360 nan 0.000 0.477 667 E N 0.696 120.790 120.200 -0.176 0.000 2.051 667 E HA -0.226 4.125 4.350 0.000 0.000 0.192 667 E C 2.035 178.595 176.600 -0.066 0.000 0.991 667 E CA 1.111 57.461 56.400 -0.084 0.000 0.799 667 E CB -0.073 29.579 29.700 -0.080 0.000 0.748 667 E HN 0.203 nan 8.360 nan 0.000 0.449 668 A N 0.480 123.202 122.820 -0.163 0.000 1.877 668 A HA -0.181 4.140 4.320 0.000 0.000 0.216 668 A C 2.060 179.685 177.584 0.068 0.000 1.186 668 A CA 1.526 53.503 52.037 -0.100 0.000 0.620 668 A CB -1.172 17.693 19.000 -0.226 0.000 0.822 668 A HN 0.525 nan 8.150 nan 0.000 0.443 669 Y N 0.115 120.397 120.300 -0.030 0.000 2.128 669 Y HA -0.233 4.317 4.550 0.000 0.000 0.284 669 Y C 2.112 178.181 175.900 0.280 0.000 1.154 669 Y CA 0.747 58.905 58.100 0.098 0.000 1.149 669 Y CB -0.169 38.017 38.460 -0.456 0.000 0.976 669 Y HN 0.296 nan 8.280 nan 0.000 0.505 670 D N 0.271 120.867 120.400 0.326 0.000 2.348 670 D HA -0.090 4.550 4.640 0.000 0.000 0.216 670 D C 1.855 178.283 176.300 0.214 0.000 0.970 670 D CA 0.778 54.948 54.000 0.283 0.000 0.889 670 D CB -0.137 40.780 40.800 0.195 0.000 0.912 670 D HN 0.446 nan 8.370 nan 0.000 0.524 671 I N 0.847 121.535 120.570 0.197 0.000 2.394 671 I HA -0.145 4.025 4.170 0.000 0.000 0.251 671 I C 1.006 177.235 176.117 0.186 0.000 1.136 671 I CA 0.440 61.836 61.300 0.160 0.000 1.425 671 I CB 0.005 38.101 38.000 0.161 0.000 1.079 671 I HN -0.139 nan 8.210 nan 0.000 0.425 672 I N 2.325 123.051 120.570 0.261 0.000 2.517 672 I HA -0.069 4.102 4.170 0.000 0.000 0.285 672 I C 0.622 176.817 176.117 0.130 0.000 1.106 672 I CA 0.114 61.556 61.300 0.237 0.000 1.402 672 I CB -0.074 38.060 38.000 0.223 0.000 1.399 672 I HN 0.148 nan 8.210 nan 0.000 0.535 673 N N 7.242 125.962 118.700 0.033 0.000 2.555 673 N HA 0.110 4.850 4.740 0.000 0.000 0.244 673 N C 0.973 176.487 175.510 0.007 0.000 1.114 673 N CA 0.001 53.053 53.050 0.003 0.000 0.963 673 N CB 0.501 38.950 38.487 -0.063 0.000 1.276 673 N HN 0.496 nan 8.380 nan 0.000 0.510 674 R N 2.063 122.581 120.500 0.030 0.000 2.081 674 R HA -0.133 4.207 4.340 0.000 0.000 0.235 674 R C 1.020 177.316 176.300 -0.006 0.000 1.131 674 R CA 1.441 57.544 56.100 0.005 0.000 0.960 674 R CB 0.158 30.468 30.300 0.018 0.000 0.856 674 R HN 0.470 nan 8.270 nan 0.000 0.436 675 E N 0.718 120.914 120.200 -0.006 0.000 2.058 675 E HA -0.155 4.195 4.350 0.000 0.000 0.194 675 E C 1.823 178.401 176.600 -0.036 0.000 0.997 675 E CA 1.183 57.569 56.400 -0.024 0.000 0.801 675 E CB 0.044 29.731 29.700 -0.021 0.000 0.746 675 E HN 0.064 nan 8.360 nan 0.000 0.450 676 K N 0.169 120.551 120.400 -0.030 0.000 2.155 676 K HA -0.033 4.287 4.320 0.000 0.000 0.203 676 K C 2.089 178.700 176.600 0.017 0.000 1.052 676 K CA 0.382 56.653 56.287 -0.027 0.000 0.948 676 K CB -0.427 32.039 32.500 -0.056 0.000 0.728 676 K HN 0.131 nan 8.250 nan 0.000 0.448 677 L N 1.266 122.500 121.223 0.019 0.000 2.046 677 L HA -0.133 4.207 4.340 0.000 0.000 0.208 677 L C 2.082 179.008 176.870 0.092 0.000 1.077 677 L CA 1.327 56.217 54.840 0.085 0.000 0.747 677 L CB -0.650 41.446 42.059 0.061 0.000 0.896 677 L HN 0.061 nan 8.230 nan 0.000 0.432 678 L N -0.673 120.559 121.223 0.016 0.000 2.056 678 L HA -0.191 4.149 4.340 0.000 0.000 0.207 678 L C 2.468 179.310 176.870 -0.047 0.000 1.078 678 L CA 1.701 56.528 54.840 -0.022 0.000 0.749 678 L CB -0.720 41.283 42.059 -0.094 0.000 0.901 678 L HN 0.421 nan 8.230 nan 0.000 0.433 679 Q N -1.868 117.888 119.800 -0.074 0.000 2.124 679 Q HA -0.266 4.074 4.340 0.000 0.000 0.202 679 Q C 2.135 178.177 176.000 0.070 0.000 0.977 679 Q CA 1.992 57.749 55.803 -0.077 0.000 0.850 679 Q CB -0.410 28.293 28.738 -0.059 0.000 0.901 679 Q HN 0.614 nan 8.270 nan 0.000 0.429 680 Y N 1.208 121.504 120.300 -0.008 0.000 2.181 680 Y HA -0.192 4.358 4.550 0.000 0.000 0.288 680 Y C 1.753 177.691 175.900 0.065 0.000 1.146 680 Y CA 1.218 59.328 58.100 0.017 0.000 1.164 680 Y CB -0.284 38.176 38.460 0.000 0.000 0.982 680 Y HN 0.014 nan 8.280 nan 0.000 0.515 681 L N -1.404 119.782 121.223 -0.061 0.000 2.046 681 L HA -0.285 4.055 4.340 0.000 0.000 0.208 681 L C 2.218 179.126 176.870 0.063 0.000 1.077 681 L CA 1.551 56.331 54.840 -0.099 0.000 0.747 681 L CB -0.904 41.127 42.059 -0.046 0.000 0.896 681 L HN 0.201 nan 8.230 nan 0.000 0.432 682 Y N 0.557 120.796 120.300 -0.102 0.000 2.224 682 Y HA -0.247 4.303 4.550 0.000 0.000 0.289 682 Y C 3.042 178.870 175.900 -0.120 0.000 1.146 682 Y CA 1.411 59.450 58.100 -0.102 0.000 1.182 682 Y CB -0.645 37.755 38.460 -0.100 0.000 0.983 682 Y HN 0.293 nan 8.280 nan 0.000 0.524 683 S N -1.043 114.676 115.700 0.033 0.000 2.603 683 S HA -0.026 4.444 4.470 0.000 0.000 0.229 683 S C 1.372 175.902 174.600 -0.117 0.000 0.972 683 S CA 0.719 58.896 58.200 -0.038 0.000 0.935 683 S CB -0.593 62.605 63.200 -0.003 0.000 0.769 683 S HN 0.472 nan 8.310 nan 0.000 0.536 684 L N -0.638 120.497 121.223 -0.146 0.000 2.731 684 L HA 0.407 4.747 4.340 0.000 0.000 0.240 684 L C 0.601 177.358 176.870 -0.189 0.000 1.120 684 L CA -0.356 54.402 54.840 -0.138 0.000 0.913 684 L CB 0.079 42.057 42.059 -0.134 0.000 1.213 684 L HN 0.065 nan 8.230 nan 0.000 0.515 685 K N 1.821 122.035 120.400 -0.310 0.000 2.379 685 K HA 0.130 4.450 4.320 0.000 0.000 0.284 685 K C -0.151 176.119 176.600 -0.549 0.000 1.044 685 K CA 0.270 56.099 56.287 -0.763 0.000 0.974 685 K CB 0.512 32.581 32.500 -0.718 0.000 0.962 685 K HN -0.091 nan 8.250 nan 0.000 0.474 686 Q N 4.825 124.251 119.800 -0.624 0.000 2.204 686 Q HA 0.275 4.616 4.340 0.000 0.000 0.254 686 Q C -1.751 174.022 176.000 -0.379 0.000 0.981 686 Q CA -2.025 53.527 55.803 -0.418 0.000 0.897 686 Q CB 0.948 29.443 28.738 -0.405 0.000 1.273 686 Q HN 0.508 nan 8.270 nan 0.000 0.464 687 P HA -0.120 nan 4.420 nan 0.000 0.222 687 P C 0.333 177.536 177.300 -0.162 0.000 1.153 687 P CA 1.084 64.068 63.100 -0.194 0.000 0.798 687 P CB 0.293 31.912 31.700 -0.136 0.000 0.796 688 D N -0.880 119.424 120.400 -0.160 0.000 2.324 688 D HA 0.085 4.725 4.640 0.000 0.000 0.235 688 D C 1.444 177.695 176.300 -0.082 0.000 1.095 688 D CA 0.495 54.456 54.000 -0.065 0.000 0.871 688 D CB -0.774 40.044 40.800 0.031 0.000 0.906 688 D HN 0.280 nan 8.370 nan 0.000 0.522 689 G N -0.106 108.553 108.800 -0.236 0.000 2.234 689 G HA2 -0.290 3.670 3.960 0.000 0.000 0.235 689 G HA3 -0.290 3.670 3.960 0.000 0.000 0.235 689 G C 0.511 175.127 174.900 -0.474 0.000 0.997 689 G CA 0.378 45.344 45.100 -0.224 0.000 0.623 689 G HN 0.829 nan 8.290 nan 0.000 0.514 690 S N -0.315 114.883 115.700 -0.837 0.000 2.661 690 S HA 0.821 5.291 4.470 0.000 0.000 0.265 690 S C -0.342 173.730 174.600 -0.880 0.000 1.225 690 S CA -0.420 57.118 58.200 -1.104 0.000 0.986 690 S CB 1.490 63.686 63.200 -1.673 0.000 1.008 690 S HN 0.585 nan 8.310 nan 0.000 0.565 691 F N -0.439 119.212 119.950 -0.498 0.000 2.565 691 F HA 0.510 5.037 4.527 0.000 0.000 0.313 691 F C -0.094 175.524 175.800 -0.303 0.000 1.091 691 F CA -1.026 56.775 58.000 -0.332 0.000 0.915 691 F CB 1.573 40.431 39.000 -0.237 0.000 1.208 691 F HN 0.445 nan 8.300 nan 0.000 0.453 692 L N 3.480 124.642 121.223 -0.101 0.000 2.436 692 L HA 0.174 4.514 4.340 0.000 0.000 0.265 692 L C 1.257 178.042 176.870 -0.141 0.000 1.168 692 L CA -0.644 54.101 54.840 -0.158 0.000 0.815 692 L CB 0.554 42.496 42.059 -0.194 0.000 1.109 692 L HN 0.691 nan 8.230 nan 0.000 0.462 693 M N 0.546 120.028 119.600 -0.198 0.000 2.319 693 M HA -0.010 4.470 4.480 0.000 0.000 0.265 693 M C 0.270 176.397 176.300 -0.289 0.000 1.068 693 M CA 1.212 56.365 55.300 -0.245 0.000 1.118 693 M CB -0.956 31.513 32.600 -0.218 0.000 1.395 693 M HN 0.783 nan 8.290 nan 0.000 0.435 694 H N -4.767 114.197 119.070 -0.176 0.000 3.037 694 H HA 0.455 5.011 4.556 0.000 0.000 0.336 694 H C -0.857 174.488 175.328 0.029 0.000 1.323 694 H CA -1.214 54.831 56.048 -0.005 0.000 1.159 694 H CB 0.328 30.143 29.762 0.089 0.000 1.882 694 H HN -0.248 nan 8.280 nan 0.000 0.535 695 V N 1.965 122.006 119.914 0.211 0.000 2.625 695 V HA 0.186 4.306 4.120 0.000 0.000 0.305 695 V C 1.712 177.844 176.094 0.063 0.000 1.055 695 V CA 1.895 64.244 62.300 0.082 0.000 1.209 695 V CB -0.046 31.820 31.823 0.071 0.000 0.877 695 V HN 1.467 nan 8.190 nan 0.000 0.489 696 G N 3.350 112.118 108.800 -0.052 0.000 2.166 696 G HA2 -0.167 3.793 3.960 0.000 0.000 0.260 696 G HA3 -0.167 3.793 3.960 0.000 0.000 0.260 696 G C 0.518 175.326 174.900 -0.153 0.000 0.986 696 G CA 0.269 45.344 45.100 -0.043 0.000 0.683 696 G HN 1.382 nan 8.290 nan 0.000 0.527 697 G N -0.640 107.872 108.800 -0.479 0.000 2.568 697 G HA2 0.642 4.602 3.960 0.000 0.000 0.293 697 G HA3 0.642 4.602 3.960 0.000 0.000 0.293 697 G C 0.256 174.971 174.900 -0.308 0.000 1.347 697 G CA 0.211 44.875 45.100 -0.727 0.000 1.039 697 G HN 0.680 nan 8.290 nan 0.000 0.523 698 E N -0.828 119.256 120.200 -0.192 0.000 2.349 698 E HA 0.330 4.680 4.350 0.000 0.000 0.262 698 E C -0.965 175.581 176.600 -0.089 0.000 1.088 698 E CA -0.362 55.991 56.400 -0.078 0.000 0.899 698 E CB 1.489 31.195 29.700 0.011 0.000 1.044 698 E HN 0.075 nan 8.360 nan 0.000 0.420 699 V N 2.344 122.220 119.914 -0.064 0.000 2.495 699 V HA 0.444 4.564 4.120 0.000 0.000 0.298 699 V C -0.600 175.489 176.094 -0.009 0.000 1.031 699 V CA -0.297 61.955 62.300 -0.079 0.000 0.871 699 V CB 1.196 32.939 31.823 -0.134 0.000 0.988 699 V HN 0.961 nan 8.190 nan 0.000 0.432 700 D N 2.177 122.580 120.400 0.005 0.000 2.755 700 D HA 0.092 4.732 4.640 0.000 0.000 0.277 700 D C 0.182 176.581 176.300 0.166 0.000 1.261 700 D CA -0.575 53.490 54.000 0.110 0.000 0.759 700 D CB 1.575 42.356 40.800 -0.032 0.000 1.279 700 D HN 0.125 nan 8.370 nan 0.000 0.420 701 V N 0.676 120.764 119.914 0.290 0.000 2.660 701 V HA -0.232 3.888 4.120 0.000 0.000 0.257 701 V C 2.091 178.347 176.094 0.271 0.000 1.088 701 V CA 2.114 64.624 62.300 0.350 0.000 1.106 701 V CB -0.694 31.299 31.823 0.283 0.000 0.686 701 V HN 0.565 nan 8.190 nan 0.000 0.481 702 R N 0.602 121.266 120.500 0.274 0.000 2.091 702 R HA -0.168 4.172 4.340 0.000 0.000 0.238 702 R C 2.568 178.973 176.300 0.174 0.000 1.136 702 R CA 1.817 58.060 56.100 0.237 0.000 0.959 702 R CB -0.711 29.715 30.300 0.211 0.000 0.856 702 R HN 0.762 nan 8.270 nan 0.000 0.437 703 S N 0.703 116.469 115.700 0.111 0.000 2.400 703 S HA -0.130 4.341 4.470 0.000 0.000 0.232 703 S C 2.200 176.799 174.600 -0.001 0.000 1.025 703 S CA 1.074 59.295 58.200 0.036 0.000 0.993 703 S CB -0.174 63.041 63.200 0.024 0.000 0.808 703 S HN 0.393 nan 8.310 nan 0.000 0.478 704 A N 0.521 123.399 122.820 0.098 0.000 1.929 704 A HA 0.056 4.376 4.320 0.000 0.000 0.216 704 A C 2.073 179.690 177.584 0.055 0.000 1.176 704 A CA 1.321 53.431 52.037 0.120 0.000 0.628 704 A CB -1.107 18.031 19.000 0.230 0.000 0.816 704 A HN 0.680 nan 8.150 nan 0.000 0.444 705 Y N -0.015 120.283 120.300 -0.004 0.000 2.263 705 Y HA -0.188 4.363 4.550 0.000 0.000 0.292 705 Y C 2.449 178.351 175.900 0.004 0.000 1.130 705 Y CA 1.087 59.175 58.100 -0.021 0.000 1.179 705 Y CB -0.816 37.648 38.460 0.007 0.000 0.998 705 Y HN 0.364 nan 8.280 nan 0.000 0.532 706 C N 0.506 119.700 119.300 -0.177 0.000 2.436 706 C HA -0.127 4.333 4.460 0.000 0.000 0.277 706 C C 3.076 177.992 174.990 -0.123 0.000 1.241 706 C CA 1.344 60.263 59.018 -0.165 0.000 1.721 706 C CB -1.698 26.032 27.740 -0.017 0.000 2.043 706 C HN 0.740 nan 8.230 nan 0.000 0.472 707 A N 0.740 123.447 122.820 -0.188 0.000 1.859 707 A HA -0.096 4.224 4.320 0.000 0.000 0.217 707 A C 2.389 179.975 177.584 0.002 0.000 1.198 707 A CA 2.686 54.585 52.037 -0.230 0.000 0.629 707 A CB -1.248 17.314 19.000 -0.730 0.000 0.830 707 A HN 0.635 nan 8.150 nan 0.000 0.446 708 A N -1.109 121.663 122.820 -0.079 0.000 1.908 708 A HA -0.114 4.206 4.320 0.000 0.000 0.218 708 A C 2.484 180.022 177.584 -0.077 0.000 1.181 708 A CA 2.340 54.243 52.037 -0.223 0.000 0.627 708 A CB -1.049 17.663 19.000 -0.479 0.000 0.818 708 A HN 0.621 nan 8.150 nan 0.000 0.445 709 S N -0.400 115.227 115.700 -0.122 0.000 2.351 709 S HA -0.184 4.286 4.470 0.000 0.000 0.220 709 S C 2.115 176.767 174.600 0.088 0.000 1.035 709 S CA 2.585 60.789 58.200 0.007 0.000 1.031 709 S CB -0.894 62.243 63.200 -0.105 0.000 0.928 709 S HN 1.054 nan 8.310 nan 0.000 0.433 710 V N 0.632 120.549 119.914 0.006 0.000 2.358 710 V HA 0.091 4.211 4.120 0.000 0.000 0.246 710 V C 2.549 178.625 176.094 -0.030 0.000 1.047 710 V CA 1.717 63.993 62.300 -0.041 0.000 1.035 710 V CB -1.761 30.046 31.823 -0.027 0.000 0.658 710 V HN 0.535 nan 8.190 nan 0.000 0.452 711 A N 1.786 124.633 122.820 0.044 0.000 1.883 711 A HA -0.190 4.130 4.320 0.000 0.000 0.217 711 A C 2.637 180.265 177.584 0.074 0.000 1.186 711 A CA 3.039 55.129 52.037 0.089 0.000 0.624 711 A CB -1.176 17.987 19.000 0.272 0.000 0.822 711 A HN 0.980 nan 8.150 nan 0.000 0.444 712 S N -0.163 115.596 115.700 0.099 0.000 2.387 712 S HA -0.046 4.424 4.470 0.000 0.000 0.226 712 S C 1.934 176.552 174.600 0.030 0.000 1.026 712 S CA 1.302 59.562 58.200 0.099 0.000 0.972 712 S CB -0.728 62.564 63.200 0.153 0.000 0.814 712 S HN 0.425 nan 8.310 nan 0.000 0.477 713 L N 1.904 123.103 121.223 -0.040 0.000 1.994 713 L HA -0.073 4.267 4.340 0.000 0.000 0.208 713 L C 3.066 179.804 176.870 -0.219 0.000 1.071 713 L CA 1.736 56.470 54.840 -0.176 0.000 0.745 713 L CB -1.201 40.694 42.059 -0.274 0.000 0.892 713 L HN 0.599 nan 8.230 nan 0.000 0.431 714 T N -3.625 110.683 114.554 -0.410 0.000 3.148 714 T HA -0.014 4.336 4.350 0.000 0.000 0.253 714 T C 0.843 175.375 174.700 -0.281 0.000 1.134 714 T CA 0.339 61.952 62.100 -0.812 0.000 1.051 714 T CB -0.497 67.922 68.868 -0.747 0.000 0.959 714 T HN 0.396 nan 8.240 nan 0.000 0.525 715 N N 1.116 119.771 118.700 -0.074 0.000 2.708 715 N HA -0.176 4.564 4.740 0.000 0.000 0.255 715 N C 0.169 175.697 175.510 0.030 0.000 1.046 715 N CA 0.910 53.978 53.050 0.030 0.000 0.715 715 N CB -1.872 36.669 38.487 0.091 0.000 0.895 715 N HN 0.923 nan 8.380 nan 0.000 0.545 716 I N -2.343 118.241 120.570 0.024 0.000 3.817 716 I HA 0.393 4.563 4.170 0.000 0.000 0.325 716 I C -0.182 175.967 176.117 0.053 0.000 1.550 716 I CA -0.666 60.652 61.300 0.030 0.000 1.100 716 I CB 0.120 38.115 38.000 -0.008 0.000 1.216 716 I HN 0.031 nan 8.210 nan 0.000 0.481 717 I N 3.381 124.009 120.570 0.097 0.000 2.396 717 I HA 0.198 4.368 4.170 0.000 0.000 0.289 717 I C 0.828 176.981 176.117 0.060 0.000 1.056 717 I CA 0.006 61.381 61.300 0.125 0.000 1.365 717 I CB 1.308 39.449 38.000 0.236 0.000 1.407 717 I HN 0.345 nan 8.210 nan 0.000 0.509 718 T N 3.572 118.093 114.554 -0.056 0.000 2.952 718 T HA 0.398 4.748 4.350 0.000 0.000 0.286 718 T C -1.477 173.138 174.700 -0.143 0.000 1.024 718 T CA -1.863 60.074 62.100 -0.271 0.000 1.029 718 T CB 1.809 70.369 68.868 -0.514 0.000 1.094 718 T HN 0.375 nan 8.240 nan 0.000 0.515 719 P HA -0.109 nan 4.420 nan 0.000 0.218 719 P C 0.864 178.135 177.300 -0.049 0.000 1.148 719 P CA 1.290 64.381 63.100 -0.015 0.000 0.822 719 P CB 0.099 31.828 31.700 0.049 0.000 0.784 720 D N -0.559 119.757 120.400 -0.140 0.000 2.327 720 D HA -0.067 4.573 4.640 0.000 0.000 0.205 720 D C 2.057 178.179 176.300 -0.297 0.000 0.989 720 D CA 0.044 53.940 54.000 -0.173 0.000 0.873 720 D CB -0.915 39.780 40.800 -0.176 0.000 0.955 720 D HN 0.026 nan 8.370 nan 0.000 0.515 721 L N 0.544 121.547 121.223 -0.367 0.000 1.997 721 L HA -0.154 4.186 4.340 0.000 0.000 0.216 721 L C 1.290 177.812 176.870 -0.580 0.000 1.074 721 L CA 1.764 56.247 54.840 -0.596 0.000 0.763 721 L CB -0.853 40.844 42.059 -0.604 0.000 0.890 721 L HN -0.037 nan 8.230 nan 0.000 0.434 722 F N -0.347 119.602 119.950 -0.001 0.000 2.730 722 F HA 0.259 4.786 4.527 0.000 0.000 0.295 722 F C 0.881 176.678 175.800 -0.005 0.000 1.143 722 F CA -0.515 57.518 58.000 0.055 0.000 1.367 722 F CB -0.306 38.740 39.000 0.078 0.000 0.970 722 F HN 0.117 nan 8.300 nan 0.000 0.514 723 E N 0.750 120.962 120.200 0.020 0.000 2.366 723 E HA 0.255 4.605 4.350 0.000 0.000 0.266 723 E C 1.321 177.917 176.600 -0.007 0.000 1.015 723 E CA 0.799 57.198 56.400 -0.001 0.000 0.906 723 E CB 0.467 30.126 29.700 -0.068 0.000 0.979 723 E HN 0.574 nan 8.360 nan 0.000 0.443 724 G N 3.519 112.341 108.800 0.035 0.000 2.184 724 G HA2 -0.342 3.619 3.960 0.000 0.000 0.264 724 G HA3 -0.342 3.619 3.960 0.000 0.000 0.264 724 G C 0.970 175.935 174.900 0.108 0.000 0.975 724 G CA 0.713 45.841 45.100 0.046 0.000 0.642 724 G HN 0.629 nan 8.290 nan 0.000 0.536 725 T N 0.725 115.367 114.554 0.146 0.000 2.770 725 T HA 0.216 4.566 4.350 0.000 0.000 0.263 725 T C 2.807 177.649 174.700 0.236 0.000 1.039 725 T CA 2.206 64.445 62.100 0.231 0.000 1.142 725 T CB -0.396 68.693 68.868 0.369 0.000 0.868 725 T HN 1.128 nan 8.240 nan 0.000 0.435 726 A N 1.640 124.552 122.820 0.154 0.000 1.908 726 A HA -0.146 4.175 4.320 0.000 0.000 0.218 726 A C 2.203 179.843 177.584 0.093 0.000 1.181 726 A CA 1.750 53.847 52.037 0.101 0.000 0.627 726 A CB -0.572 18.463 19.000 0.058 0.000 0.818 726 A HN 0.420 nan 8.150 nan 0.000 0.445 727 E N -1.364 118.894 120.200 0.096 0.000 2.077 727 E HA -0.210 4.141 4.350 0.000 0.000 0.193 727 E C 1.580 178.219 176.600 0.065 0.000 0.989 727 E CA 1.362 57.800 56.400 0.063 0.000 0.800 727 E CB -0.373 29.363 29.700 0.061 0.000 0.746 727 E HN 0.842 nan 8.360 nan 0.000 0.452 728 W N 0.730 122.018 121.300 -0.020 0.000 2.381 728 W HA -0.071 4.589 4.660 0.000 0.000 0.301 728 W C 1.708 178.208 176.519 -0.031 0.000 1.205 728 W CA 1.312 58.639 57.345 -0.029 0.000 1.285 728 W CB -0.089 29.354 29.460 -0.028 0.000 1.133 728 W HN -0.018 nan 8.180 nan 0.000 0.521 729 I N 0.478 121.157 120.570 0.182 0.000 2.315 729 I HA -0.286 3.884 4.170 0.000 0.000 0.248 729 I C 2.570 178.594 176.117 -0.155 0.000 1.117 729 I CA 1.278 62.595 61.300 0.028 0.000 1.404 729 I CB -1.007 37.069 38.000 0.127 0.000 1.071 729 I HN 0.069 nan 8.210 nan 0.000 0.419 730 A N 0.993 123.747 122.820 -0.110 0.000 1.902 730 A HA -0.201 4.120 4.320 0.000 0.000 0.217 730 A C 2.315 179.780 177.584 -0.198 0.000 1.181 730 A CA 1.356 53.318 52.037 -0.126 0.000 0.623 730 A CB -0.600 18.355 19.000 -0.076 0.000 0.818 730 A HN 0.314 nan 8.150 nan 0.000 0.443 731 R N -1.167 119.175 120.500 -0.262 0.000 2.303 731 R HA -0.137 4.203 4.340 0.000 0.000 0.225 731 R C 1.652 177.720 176.300 -0.387 0.000 1.114 731 R CA 1.131 57.043 56.100 -0.314 0.000 1.007 731 R CB -0.665 29.401 30.300 -0.389 0.000 0.861 731 R HN 0.608 nan 8.270 nan 0.000 0.471 732 C N -0.078 118.954 119.300 -0.445 0.000 2.563 732 C HA 0.032 4.492 4.460 0.000 0.000 0.268 732 C C 1.300 176.104 174.990 -0.310 0.000 1.365 732 C CA -0.442 58.319 59.018 -0.429 0.000 1.754 732 C CB -0.544 26.901 27.740 -0.491 0.000 1.932 732 C HN 0.464 nan 8.230 nan 0.000 0.536 733 Q N 2.500 122.143 119.800 -0.262 0.000 2.332 733 Q HA 0.167 4.508 4.340 0.000 0.000 0.263 733 Q C 0.052 175.907 176.000 -0.243 0.000 0.979 733 Q CA 0.380 56.028 55.803 -0.257 0.000 0.885 733 Q CB 0.599 29.219 28.738 -0.198 0.000 1.218 733 Q HN 0.702 nan 8.270 nan 0.000 0.405 734 N N 3.082 121.595 118.700 -0.311 0.000 2.906 734 N HA 0.139 4.879 4.740 0.000 0.000 0.327 734 N C 0.765 176.140 175.510 -0.226 0.000 1.344 734 N CA -0.604 52.300 53.050 -0.242 0.000 0.823 734 N CB -0.442 37.864 38.487 -0.302 0.000 1.351 734 N HN 0.893 nan 8.380 nan 0.000 0.604 735 W N -0.488 120.747 121.300 -0.109 0.000 2.359 735 W HA -0.075 4.585 4.660 0.000 0.000 0.275 735 W C 0.438 176.923 176.519 -0.055 0.000 1.217 735 W CA 0.984 58.288 57.345 -0.068 0.000 1.196 735 W CB -0.859 28.574 29.460 -0.046 0.000 1.129 735 W HN 0.587 nan 8.180 nan 0.000 0.566 736 E N 0.163 119.832 120.200 -0.885 0.000 2.216 736 E HA 0.109 4.459 4.350 0.000 0.000 0.192 736 E C 2.134 178.513 176.600 -0.368 0.000 0.988 736 E CA 1.040 56.983 56.400 -0.762 0.000 0.834 736 E CB -0.366 28.701 29.700 -1.055 0.000 0.772 736 E HN 0.433 nan 8.360 nan 0.000 0.479 737 G N 0.551 109.094 108.800 -0.428 0.000 2.259 737 G HA2 -0.206 3.755 3.960 0.000 0.000 0.217 737 G HA3 -0.206 3.755 3.960 0.000 0.000 0.217 737 G C 0.549 175.176 174.900 -0.455 0.000 1.001 737 G CA -0.218 44.725 45.100 -0.260 0.000 0.627 737 G HN 0.520 nan 8.290 nan 0.000 0.501 738 G N -0.444 107.684 108.800 -1.121 0.000 2.525 738 G HA2 0.650 4.610 3.960 0.000 0.000 0.287 738 G HA3 0.650 4.610 3.960 0.000 0.000 0.287 738 G C -0.182 174.220 174.900 -0.830 0.000 1.350 738 G CA -0.551 43.659 45.100 -1.484 0.000 1.039 738 G HN 0.628 nan 8.290 nan 0.000 0.513 739 I N -0.141 120.042 120.570 -0.646 0.000 2.530 739 I HA 0.509 4.679 4.170 0.000 0.000 0.297 739 I C 0.764 176.731 176.117 -0.249 0.000 1.011 739 I CA -0.724 60.364 61.300 -0.354 0.000 1.107 739 I CB 2.219 40.098 38.000 -0.201 0.000 1.285 739 I HN 0.599 nan 8.210 nan 0.000 0.436 740 G N 2.198 110.852 108.800 -0.244 0.000 2.601 740 G HA2 0.450 4.410 3.960 0.000 0.000 0.317 740 G HA3 0.450 4.410 3.960 0.000 0.000 0.317 740 G C 0.802 175.483 174.900 -0.364 0.000 1.246 740 G CA -0.200 44.772 45.100 -0.213 0.000 1.012 740 G HN 0.771 nan 8.290 nan 0.000 0.494 741 G N -1.504 106.858 108.800 -0.730 0.000 2.408 741 G HA2 0.269 4.229 3.960 0.000 0.000 0.217 741 G HA3 0.269 4.229 3.960 0.000 0.000 0.217 741 G C 0.602 175.242 174.900 -0.432 0.000 1.150 741 G CA 1.842 46.240 45.100 -1.171 0.000 0.776 741 G HN 1.483 nan 8.290 nan 0.000 0.542 742 V N -4.774 114.945 119.914 -0.324 0.000 3.159 742 V HA 0.639 4.759 4.120 0.000 0.000 0.308 742 V C -3.044 172.869 176.094 -0.302 0.000 1.190 742 V CA -3.048 59.121 62.300 -0.219 0.000 1.037 742 V CB 1.711 33.516 31.823 -0.030 0.000 1.060 742 V HN -0.138 nan 8.190 nan 0.000 0.437 743 P HA 0.315 nan 4.420 nan 0.000 0.260 743 P C 0.996 178.193 177.300 -0.173 0.000 1.172 743 P CA 2.226 65.137 63.100 -0.315 0.000 0.760 743 P CB 0.458 31.961 31.700 -0.328 0.000 0.773 744 G N 2.197 110.915 108.800 -0.137 0.000 2.279 744 G HA2 -0.213 3.747 3.960 0.000 0.000 0.223 744 G HA3 -0.213 3.747 3.960 0.000 0.000 0.223 744 G C 0.285 175.164 174.900 -0.035 0.000 1.015 744 G CA -0.422 44.642 45.100 -0.059 0.000 0.621 744 G HN 0.395 nan 8.290 nan 0.000 0.506 745 M N 1.409 120.957 119.600 -0.086 0.000 2.202 745 M HA 0.379 4.859 4.480 0.000 0.000 0.316 745 M C 0.826 177.083 176.300 -0.071 0.000 1.138 745 M CA -0.539 54.722 55.300 -0.065 0.000 1.151 745 M CB 0.556 33.091 32.600 -0.109 0.000 1.422 745 M HN 0.413 nan 8.290 nan 0.000 0.471 746 E N 0.786 120.976 120.200 -0.016 0.000 2.437 746 E HA 0.231 4.581 4.350 0.000 0.000 0.263 746 E C -0.655 175.888 176.600 -0.096 0.000 1.030 746 E CA -0.347 56.035 56.400 -0.029 0.000 0.934 746 E CB 0.728 30.468 29.700 0.067 0.000 0.943 746 E HN 0.682 nan 8.360 nan 0.000 0.444 747 A N 4.430 127.099 122.820 -0.252 0.000 2.488 747 A HA 0.086 4.407 4.320 0.000 0.000 0.249 747 A C -0.532 177.056 177.584 0.007 0.000 1.083 747 A CA 0.098 51.885 52.037 -0.417 0.000 0.768 747 A CB 0.320 18.724 19.000 -0.993 0.000 1.017 747 A HN 0.668 nan 8.150 nan 0.000 0.496 748 H N 1.990 121.036 119.070 -0.039 0.000 2.934 748 H HA 0.345 4.901 4.556 0.000 0.000 0.340 748 H C 1.160 176.624 175.328 0.228 0.000 1.008 748 H CA 0.078 56.230 56.048 0.174 0.000 1.317 748 H CB 1.376 31.263 29.762 0.209 0.000 1.670 748 H HN 0.691 nan 8.280 nan 0.000 0.516 749 G N 3.031 111.928 108.800 0.162 0.000 2.547 749 G HA2 -0.345 3.615 3.960 0.000 0.000 0.221 749 G HA3 -0.345 3.615 3.960 0.000 0.000 0.221 749 G C 1.482 176.570 174.900 0.313 0.000 1.140 749 G CA 1.050 46.309 45.100 0.264 0.000 0.760 749 G HN 0.680 nan 8.290 nan 0.000 0.583 750 G N -0.412 108.564 108.800 0.293 0.000 2.402 750 G HA2 -0.113 3.847 3.960 0.000 0.000 0.216 750 G HA3 -0.113 3.847 3.960 0.000 0.000 0.216 750 G C 1.626 176.410 174.900 -0.192 0.000 1.162 750 G CA 0.821 45.759 45.100 -0.270 0.000 0.777 750 G HN 0.528 nan 8.290 nan 0.000 0.539 751 Y N 0.865 121.206 120.300 0.068 0.000 2.314 751 Y HA -0.053 4.497 4.550 0.000 0.000 0.293 751 Y C 3.282 179.177 175.900 -0.007 0.000 1.129 751 Y CA 1.155 59.234 58.100 -0.036 0.000 1.201 751 Y CB -0.073 38.331 38.460 -0.093 0.000 0.999 751 Y HN 0.115 nan 8.280 nan 0.000 0.541 752 T N 0.337 115.004 114.554 0.189 0.000 2.777 752 T HA -0.196 4.154 4.350 0.000 0.000 0.266 752 T C 1.544 176.284 174.700 0.067 0.000 1.040 752 T CA 1.278 63.430 62.100 0.087 0.000 1.141 752 T CB -0.575 68.366 68.868 0.122 0.000 0.868 752 T HN 0.332 nan 8.240 nan 0.000 0.444 753 F N 1.411 121.381 119.950 0.033 0.000 2.102 753 F HA -0.171 4.356 4.527 0.000 0.000 0.298 753 F C 2.513 178.225 175.800 -0.146 0.000 1.105 753 F CA 0.726 58.716 58.000 -0.016 0.000 1.239 753 F CB -0.857 38.239 39.000 0.160 0.000 0.991 753 F HN 0.144 nan 8.300 nan 0.000 0.474 754 C N 0.857 120.089 119.300 -0.112 0.000 2.393 754 C HA -0.196 4.264 4.460 0.000 0.000 0.276 754 C C 3.117 178.001 174.990 -0.177 0.000 1.215 754 C CA 1.590 60.464 59.018 -0.240 0.000 1.743 754 C CB -1.894 25.885 27.740 0.065 0.000 2.044 754 C HN 0.755 nan 8.230 nan 0.000 0.464 755 G N -0.396 108.363 108.800 -0.068 0.000 2.421 755 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 1.485 176.322 174.900 -0.105 0.000 1.171 755 G CA 1.045 46.122 45.100 -0.038 0.000 0.775 755 G HN 0.453 nan 8.290 nan 0.000 0.543 756 L N 1.393 122.507 121.223 -0.182 0.000 2.027 756 L HA 0.190 4.530 4.340 0.000 0.000 0.206 756 L C 3.101 179.831 176.870 -0.233 0.000 1.074 756 L CA 2.187 56.915 54.840 -0.186 0.000 0.745 756 L CB -0.859 41.087 42.059 -0.188 0.000 0.898 756 L HN 0.240 nan 8.230 nan 0.000 0.433 757 A N -0.647 121.914 122.820 -0.432 0.000 1.978 757 A HA -0.119 4.201 4.320 0.000 0.000 0.220 757 A C 2.417 179.927 177.584 -0.123 0.000 1.170 757 A CA 1.821 53.629 52.037 -0.382 0.000 0.636 757 A CB -1.077 17.450 19.000 -0.789 0.000 0.810 757 A HN 0.583 nan 8.150 nan 0.000 0.448 758 A N -0.238 122.549 122.820 -0.056 0.000 1.873 758 A HA 0.003 4.323 4.320 0.000 0.000 0.215 758 A C 2.126 179.661 177.584 -0.080 0.000 1.186 758 A CA 1.427 53.463 52.037 -0.002 0.000 0.616 758 A CB -0.587 18.444 19.000 0.051 0.000 0.823 758 A HN 0.460 nan 8.150 nan 0.000 0.442 759 L N -0.394 120.790 121.223 -0.065 0.000 2.141 759 L HA -0.127 4.213 4.340 0.000 0.000 0.209 759 L C 2.418 179.256 176.870 -0.054 0.000 1.094 759 L CA 0.646 55.453 54.840 -0.055 0.000 0.763 759 L CB -0.416 41.620 42.059 -0.038 0.000 0.908 759 L HN 0.234 nan 8.230 nan 0.000 0.437 760 V N 0.052 119.929 119.914 -0.062 0.000 2.427 760 V HA -0.272 3.848 4.120 0.000 0.000 0.248 760 V C 2.286 178.364 176.094 -0.027 0.000 1.051 760 V CA 1.668 63.947 62.300 -0.035 0.000 1.048 760 V CB -0.238 31.561 31.823 -0.039 0.000 0.666 760 V HN 0.326 nan 8.190 nan 0.000 0.456 761 I N -0.347 120.185 120.570 -0.062 0.000 2.252 761 I HA -0.212 3.958 4.170 0.000 0.000 0.245 761 I C 1.983 178.056 176.117 -0.073 0.000 1.102 761 I CA 1.562 62.823 61.300 -0.065 0.000 1.385 761 I CB -0.167 37.759 38.000 -0.123 0.000 1.064 761 I HN 0.254 nan 8.210 nan 0.000 0.414 762 L N 0.376 121.531 121.223 -0.114 0.000 2.599 762 L HA 0.004 4.344 4.340 0.000 0.000 0.230 762 L C 0.444 177.301 176.870 -0.021 0.000 1.141 762 L CA 0.252 55.035 54.840 -0.093 0.000 0.877 762 L CB -0.478 41.505 42.059 -0.128 0.000 1.009 762 L HN 0.204 nan 8.230 nan 0.000 0.447 763 K N 1.172 121.566 120.400 -0.009 0.000 3.257 763 K HA -0.179 4.141 4.320 0.000 0.000 0.270 763 K C 0.134 176.740 176.600 0.010 0.000 0.984 763 K CA 0.212 56.506 56.287 0.012 0.000 0.739 763 K CB -0.721 31.796 32.500 0.028 0.000 1.351 763 K HN 0.262 nan 8.250 nan 0.000 0.463 764 R N -0.210 120.290 120.500 -0.000 0.000 2.592 764 R HA 0.040 4.381 4.340 0.000 0.000 0.439 764 R C 0.439 176.738 176.300 -0.002 0.000 0.995 764 R CA -0.054 56.048 56.100 0.003 0.000 1.141 764 R CB 0.469 30.773 30.300 0.007 0.000 1.495 764 R HN 0.251 nan 8.270 nan 0.000 0.579 765 E N 0.876 121.073 120.200 -0.005 0.000 2.187 765 E HA -0.146 4.204 4.350 0.000 0.000 0.199 765 E C 1.542 178.139 176.600 -0.005 0.000 1.004 765 E CA 1.119 57.513 56.400 -0.009 0.000 0.813 765 E CB -0.074 29.625 29.700 -0.001 0.000 0.736 765 E HN 0.135 nan 8.360 nan 0.000 0.468 766 R N 0.294 120.795 120.500 0.001 0.000 2.293 766 R HA -0.000 4.340 4.340 0.000 0.000 0.219 766 R C 1.653 177.951 176.300 -0.003 0.000 1.091 766 R CA 0.911 57.012 56.100 0.002 0.000 1.004 766 R CB -0.147 30.156 30.300 0.005 0.000 0.865 766 R HN 0.103 nan 8.270 nan 0.000 0.469 767 S N 0.535 116.232 115.700 -0.006 0.000 2.555 767 S HA 0.048 4.518 4.470 0.000 0.000 0.230 767 S C 0.816 175.402 174.600 -0.022 0.000 0.978 767 S CA 0.558 58.752 58.200 -0.010 0.000 0.934 767 S CB 0.030 63.227 63.200 -0.006 0.000 0.766 767 S HN 0.156 nan 8.310 nan 0.000 0.533 768 L N 1.433 122.642 121.223 -0.024 0.000 2.334 768 L HA 0.441 4.781 4.340 0.000 0.000 0.270 768 L C 0.365 177.222 176.870 -0.021 0.000 1.018 768 L CA -0.922 53.897 54.840 -0.034 0.000 0.811 768 L CB 0.524 42.557 42.059 -0.043 0.000 1.271 768 L HN -0.065 nan 8.230 nan 0.000 0.443 769 N N 1.862 120.547 118.700 -0.026 0.000 2.605 769 N HA 0.116 4.856 4.740 0.000 0.000 0.258 769 N C 0.742 176.254 175.510 0.004 0.000 1.156 769 N CA 0.085 53.130 53.050 -0.009 0.000 1.008 769 N CB 0.438 38.919 38.487 -0.011 0.000 1.354 769 N HN 0.593 nan 8.380 nan 0.000 0.509 770 L N 1.903 123.134 121.223 0.013 0.000 2.261 770 L HA -0.160 4.181 4.340 0.000 0.000 0.216 770 L C 2.341 179.241 176.870 0.049 0.000 1.114 770 L CA 0.970 55.828 54.840 0.030 0.000 0.777 770 L CB -0.236 41.843 42.059 0.032 0.000 0.910 770 L HN 0.508 nan 8.230 nan 0.000 0.440 771 K N 0.677 121.104 120.400 0.044 0.000 2.062 771 K HA -0.153 4.167 4.320 0.000 0.000 0.205 771 K C 2.367 179.009 176.600 0.069 0.000 1.051 771 K CA 1.651 57.972 56.287 0.056 0.000 0.941 771 K CB 0.034 32.561 32.500 0.046 0.000 0.719 771 K HN 0.341 nan 8.250 nan 0.000 0.440 772 S N 0.967 116.701 115.700 0.057 0.000 2.406 772 S HA -0.128 4.342 4.470 0.000 0.000 0.228 772 S C 1.979 176.642 174.600 0.106 0.000 1.020 772 S CA 0.712 58.954 58.200 0.069 0.000 0.965 772 S CB -0.339 62.881 63.200 0.032 0.000 0.798 772 S HN 0.315 nan 8.310 nan 0.000 0.488 773 L N 1.077 122.350 121.223 0.083 0.000 2.056 773 L HA 0.199 4.539 4.340 0.000 0.000 0.207 773 L C 2.203 179.202 176.870 0.215 0.000 1.078 773 L CA 1.394 56.312 54.840 0.130 0.000 0.749 773 L CB -1.057 41.038 42.059 0.060 0.000 0.901 773 L HN 0.388 nan 8.230 nan 0.000 0.433 774 L N -0.204 121.111 121.223 0.152 0.000 2.017 774 L HA -0.234 4.106 4.340 0.000 0.000 0.208 774 L C 2.587 179.550 176.870 0.155 0.000 1.073 774 L CA 2.242 57.173 54.840 0.152 0.000 0.745 774 L CB -0.933 41.201 42.059 0.126 0.000 0.894 774 L HN 0.574 nan 8.230 nan 0.000 0.432 775 Q N -2.000 117.888 119.800 0.145 0.000 2.224 775 Q HA -0.258 4.082 4.340 0.000 0.000 0.203 775 Q C 2.022 178.105 176.000 0.138 0.000 0.970 775 Q CA 1.785 57.662 55.803 0.124 0.000 0.865 775 Q CB -0.396 28.407 28.738 0.110 0.000 0.922 775 Q HN 0.673 nan 8.270 nan 0.000 0.445 776 W N -0.459 120.846 121.300 0.009 0.000 2.408 776 W HA -0.152 4.508 4.660 0.000 0.000 0.311 776 W C 1.939 178.465 176.519 0.012 0.000 1.190 776 W CA 1.418 58.753 57.345 -0.016 0.000 1.321 776 W CB -0.682 28.742 29.460 -0.060 0.000 1.143 776 W HN 0.008 nan 8.180 nan 0.000 0.501 777 V N 1.479 121.375 119.914 -0.030 0.000 2.407 777 V HA -0.271 3.849 4.120 0.000 0.000 0.248 777 V C 2.381 178.422 176.094 -0.089 0.000 1.055 777 V CA 3.299 65.459 62.300 -0.234 0.000 1.049 777 V CB -1.145 30.719 31.823 0.069 0.000 0.662 777 V HN 0.460 nan 8.190 nan 0.000 0.455 778 T N -3.031 111.537 114.554 0.023 0.000 2.915 778 T HA -0.104 4.246 4.350 0.000 0.000 0.269 778 T C 1.794 176.471 174.700 -0.038 0.000 1.071 778 T CA 1.576 63.723 62.100 0.078 0.000 1.132 778 T CB -0.451 68.482 68.868 0.108 0.000 0.878 778 T HN 0.466 nan 8.240 nan 0.000 0.479 779 S N 0.892 116.516 115.700 -0.127 0.000 2.562 779 S HA 0.146 4.616 4.470 0.000 0.000 0.221 779 S C 1.854 176.303 174.600 -0.253 0.000 0.975 779 S CA -0.137 57.966 58.200 -0.161 0.000 0.918 779 S CB -0.119 62.996 63.200 -0.141 0.000 0.772 779 S HN 0.386 nan 8.310 nan 0.000 0.531 780 R N 1.282 121.588 120.500 -0.323 0.000 2.299 780 R HA 0.155 4.496 4.340 0.000 0.000 0.197 780 R C 0.833 176.935 176.300 -0.330 0.000 0.971 780 R CA 0.086 55.993 56.100 -0.322 0.000 1.030 780 R CB -0.301 29.758 30.300 -0.401 0.000 0.932 780 R HN 0.502 nan 8.270 nan 0.000 0.477 781 Q N 1.285 120.741 119.800 -0.574 0.000 2.288 781 Q HA 0.139 4.479 4.340 0.000 0.000 0.258 781 Q C -0.462 175.266 176.000 -0.454 0.000 0.957 781 Q CA -0.309 54.887 55.803 -1.011 0.000 0.919 781 Q CB 0.742 28.839 28.738 -1.067 0.000 1.185 781 Q HN -0.135 nan 8.270 nan 0.000 0.408 782 M N 4.549 123.927 119.600 -0.369 0.000 2.227 782 M HA 0.040 4.521 4.480 0.000 0.000 0.349 782 M C 1.181 177.428 176.300 -0.089 0.000 1.443 782 M CA 0.565 55.757 55.300 -0.180 0.000 1.110 782 M CB 0.192 32.705 32.600 -0.146 0.000 1.773 782 M HN 0.718 nan 8.290 nan 0.000 0.463 783 R N 1.424 121.906 120.500 -0.030 0.000 2.159 783 R HA -0.184 4.156 4.340 0.000 0.000 0.237 783 R C 1.340 177.694 176.300 0.089 0.000 1.131 783 R CA 1.671 57.788 56.100 0.028 0.000 0.982 783 R CB -0.437 29.872 30.300 0.016 0.000 0.868 783 R HN 0.560 nan 8.270 nan 0.000 0.453 784 F N 1.534 121.467 119.950 -0.028 0.000 2.315 784 F HA 0.186 4.714 4.527 0.000 0.000 0.284 784 F C 1.810 177.796 175.800 0.311 0.000 1.049 784 F CA 0.846 58.870 58.000 0.041 0.000 1.323 784 F CB 0.191 39.191 39.000 -0.000 0.000 1.113 784 F HN -0.123 nan 8.300 nan 0.000 0.544 785 E N 0.153 120.443 120.200 0.149 0.000 2.072 785 E HA 0.060 4.410 4.350 0.000 0.000 0.191 785 E C 1.819 178.446 176.600 0.044 0.000 0.985 785 E CA 1.529 57.946 56.400 0.029 0.000 0.801 785 E CB -0.593 28.986 29.700 -0.202 0.000 0.750 785 E HN 0.577 nan 8.360 nan 0.000 0.452 786 G N -0.580 108.191 108.800 -0.048 0.000 2.213 786 G HA2 -0.214 3.746 3.960 0.000 0.000 0.236 786 G HA3 -0.214 3.746 3.960 0.000 0.000 0.236 786 G C 0.578 175.414 174.900 -0.105 0.000 0.991 786 G CA 0.028 45.115 45.100 -0.021 0.000 0.629 786 G HN 0.624 nan 8.290 nan 0.000 0.517 787 G N -0.830 107.749 108.800 -0.368 0.000 2.583 787 G HA2 0.681 4.641 3.960 0.000 0.000 0.280 787 G HA3 0.681 4.641 3.960 0.000 0.000 0.280 787 G C -0.696 174.033 174.900 -0.285 0.000 1.376 787 G CA -0.976 43.946 45.100 -0.297 0.000 1.043 787 G HN 0.297 nan 8.290 nan 0.000 0.538 788 F N -0.333 119.556 119.950 -0.102 0.000 2.522 788 F HA 0.421 4.948 4.527 0.000 0.000 0.324 788 F C 0.590 176.346 175.800 -0.074 0.000 1.077 788 F CA -0.694 57.249 58.000 -0.094 0.000 0.944 788 F CB 2.287 41.246 39.000 -0.069 0.000 1.175 788 F HN 0.527 nan 8.300 nan 0.000 0.468 789 Q N 0.650 120.441 119.800 -0.014 0.000 2.204 789 Q HA 0.623 4.964 4.340 0.000 0.000 0.254 789 Q C 0.355 176.081 176.000 -0.458 0.000 0.981 789 Q CA -0.595 55.117 55.803 -0.151 0.000 0.897 789 Q CB 1.788 30.432 28.738 -0.157 0.000 1.273 789 Q HN 0.822 nan 8.270 nan 0.000 0.464 790 G N 0.806 109.092 108.800 -0.857 0.000 2.595 790 G HA2 0.102 4.062 3.960 0.000 0.000 0.213 790 G HA3 0.102 4.062 3.960 0.000 0.000 0.213 790 G C 0.279 174.797 174.900 -0.636 0.000 1.141 790 G CA -0.127 44.137 45.100 -1.395 0.000 0.806 790 G HN 0.440 nan 8.290 nan 0.000 0.530 791 R N -1.351 118.939 120.500 -0.350 0.000 2.771 791 R HA 0.370 4.710 4.340 0.000 0.000 0.274 791 R C -1.072 175.187 176.300 -0.068 0.000 0.987 791 R CA -0.812 55.234 56.100 -0.089 0.000 0.908 791 R CB 1.668 31.955 30.300 -0.021 0.000 1.213 791 R HN 0.093 nan 8.270 nan 0.000 0.468 792 C N 2.689 121.997 119.300 0.013 0.000 2.611 792 C HA 0.037 4.497 4.460 0.000 0.000 0.416 792 C C 0.719 175.714 174.990 0.007 0.000 1.366 792 C CA 0.511 59.524 59.018 -0.008 0.000 1.761 792 C CB -0.962 26.811 27.740 0.055 0.000 2.619 792 C HN 0.947 nan 8.230 nan 0.000 0.606 793 N N 2.569 121.262 118.700 -0.012 0.000 2.776 793 N HA -0.142 4.598 4.740 0.000 0.000 0.249 793 N C -0.730 174.780 175.510 0.001 0.000 1.111 793 N CA 1.273 54.324 53.050 0.002 0.000 0.711 793 N CB -0.816 37.688 38.487 0.030 0.000 1.065 793 N HN 0.834 nan 8.380 nan 0.000 0.556 794 K N -0.313 120.074 120.400 -0.021 0.000 2.433 794 K HA 0.530 4.850 4.320 0.000 0.000 0.252 794 K C 0.415 177.004 176.600 -0.018 0.000 1.015 794 K CA -0.838 55.442 56.287 -0.012 0.000 0.860 794 K CB 1.541 34.030 32.500 -0.019 0.000 1.359 794 K HN -0.059 nan 8.250 nan 0.000 0.452 795 L N 1.086 122.316 121.223 0.012 0.000 2.464 795 L HA 0.185 4.525 4.340 0.000 0.000 0.264 795 L C 0.674 177.563 176.870 0.031 0.000 1.199 795 L CA -0.542 54.312 54.840 0.022 0.000 0.818 795 L CB 0.342 42.431 42.059 0.049 0.000 1.102 795 L HN 0.306 nan 8.230 nan 0.000 0.473 796 V N 1.105 121.026 119.914 0.013 0.000 2.963 796 V HA 0.134 4.255 4.120 0.000 0.000 0.306 796 V C -0.369 175.810 176.094 0.142 0.000 1.077 796 V CA 0.306 62.605 62.300 -0.001 0.000 1.124 796 V CB 1.422 33.133 31.823 -0.187 0.000 0.987 796 V HN 0.868 nan 8.190 nan 0.000 0.487 797 D N 2.844 123.402 120.400 0.262 0.000 2.931 797 D HA 0.344 4.984 4.640 0.000 0.000 0.215 797 D C 0.715 177.260 176.300 0.408 0.000 1.297 797 D CA 0.203 54.423 54.000 0.367 0.000 0.892 797 D CB 1.878 42.961 40.800 0.472 0.000 1.642 797 D HN 0.602 nan 8.370 nan 0.000 0.560 798 G N 1.753 110.792 108.800 0.400 0.000 2.469 798 G HA2 -0.284 3.676 3.960 0.000 0.000 0.220 798 G HA3 -0.284 3.676 3.960 0.000 0.000 0.220 798 G C 1.730 176.750 174.900 0.201 0.000 1.136 798 G CA 1.386 46.695 45.100 0.349 0.000 0.759 798 G HN 0.735 nan 8.290 nan 0.000 0.562 799 C N -1.547 117.832 119.300 0.131 0.000 2.432 799 C HA 0.157 4.617 4.460 0.000 0.000 0.282 799 C C 2.315 177.171 174.990 -0.222 0.000 1.388 799 C CA 0.097 59.001 59.018 -0.192 0.000 1.777 799 C CB -1.633 25.782 27.740 -0.541 0.000 1.882 799 C HN 0.434 nan 8.230 nan 0.000 0.520 800 Y N 2.012 122.426 120.300 0.190 0.000 2.509 800 Y HA -0.045 4.506 4.550 0.000 0.000 0.293 800 Y C 2.787 178.651 175.900 -0.060 0.000 1.133 800 Y CA 1.038 59.237 58.100 0.165 0.000 1.283 800 Y CB -0.295 38.259 38.460 0.156 0.000 1.001 800 Y HN 0.301 nan 8.280 nan 0.000 0.555 801 S N 0.117 115.881 115.700 0.107 0.000 2.407 801 S HA -0.252 4.218 4.470 0.000 0.000 0.235 801 S C 1.622 176.123 174.600 -0.164 0.000 1.036 801 S CA 1.807 60.024 58.200 0.029 0.000 1.013 801 S CB -0.459 62.825 63.200 0.138 0.000 0.820 801 S HN 0.594 nan 8.310 nan 0.000 0.476 802 F N -0.021 119.738 119.950 -0.319 0.000 2.343 802 F HA 0.201 4.728 4.527 0.000 0.000 0.286 802 F C 1.665 177.184 175.800 -0.468 0.000 1.057 802 F CA -0.004 57.740 58.000 -0.428 0.000 1.365 802 F CB -0.533 38.178 39.000 -0.481 0.000 1.114 802 F HN 0.145 nan 8.300 nan 0.000 0.545 803 W N 1.168 122.285 121.300 -0.305 0.000 2.318 803 W HA -0.229 4.431 4.660 0.000 0.000 0.313 803 W C 2.451 178.772 176.519 -0.329 0.000 1.221 803 W CA 1.109 58.246 57.345 -0.346 0.000 1.266 803 W CB -0.486 28.970 29.460 -0.007 0.000 1.150 803 W HN 0.064 nan 8.180 nan 0.000 0.496 804 Q N -0.008 119.678 119.800 -0.191 0.000 1.990 804 Q HA -0.025 4.315 4.340 0.000 0.000 0.195 804 Q C 2.494 177.995 176.000 -0.832 0.000 0.977 804 Q CA 1.484 56.986 55.803 -0.501 0.000 0.828 804 Q CB -1.505 26.776 28.738 -0.761 0.000 0.896 804 Q HN 0.268 nan 8.270 nan 0.000 0.447 805 A N 1.256 123.255 122.820 -1.367 0.000 2.032 805 A HA -0.150 4.171 4.320 0.000 0.000 0.221 805 A C 2.233 179.354 177.584 -0.771 0.000 1.165 805 A CA 1.901 53.148 52.037 -1.317 0.000 0.645 805 A CB -1.132 17.032 19.000 -1.394 0.000 0.807 805 A HN 0.490 nan 8.150 nan 0.000 0.453 806 G N -0.597 107.777 108.800 -0.710 0.000 2.471 806 G HA2 -0.074 3.887 3.960 0.000 0.000 0.219 806 G HA3 -0.074 3.887 3.960 0.000 0.000 0.219 806 G C 1.434 176.157 174.900 -0.295 0.000 1.125 806 G CA 0.838 45.573 45.100 -0.609 0.000 0.775 806 G HN 0.473 nan 8.290 nan 0.000 0.548 807 L N 0.067 121.155 121.223 -0.224 0.000 2.141 807 L HA -0.016 4.324 4.340 0.000 0.000 0.209 807 L C 2.674 179.493 176.870 -0.084 0.000 1.094 807 L CA 0.102 54.886 54.840 -0.094 0.000 0.763 807 L CB -0.266 41.779 42.059 -0.023 0.000 0.908 807 L HN 0.111 nan 8.230 nan 0.000 0.437 808 L N 0.053 121.213 121.223 -0.106 0.000 2.012 808 L HA -0.148 4.192 4.340 0.000 0.000 0.210 808 L C 0.096 176.948 176.870 -0.030 0.000 1.073 808 L CA 2.314 57.181 54.840 0.046 0.000 0.748 808 L CB -2.595 39.629 42.059 0.275 0.000 0.891 808 L HN 0.173 nan 8.230 nan 0.000 0.431 809 P HA -0.111 nan 4.420 nan 0.000 0.218 809 P C 2.239 179.474 177.300 -0.108 0.000 1.149 809 P CA 0.992 63.726 63.100 -0.610 0.000 0.817 809 P CB 0.119 31.214 31.700 -1.009 0.000 0.785 810 L N -1.628 119.541 121.223 -0.091 0.000 2.056 810 L HA -0.153 4.187 4.340 0.000 0.000 0.207 810 L C 2.405 179.303 176.870 0.047 0.000 1.078 810 L CA 1.341 56.167 54.840 -0.024 0.000 0.749 810 L CB -0.976 41.034 42.059 -0.082 0.000 0.901 810 L HN -0.020 nan 8.230 nan 0.000 0.433 811 L N -1.007 120.258 121.223 0.070 0.000 2.017 811 L HA -0.263 4.077 4.340 0.000 0.000 0.208 811 L C 2.661 179.633 176.870 0.171 0.000 1.073 811 L CA 1.310 56.217 54.840 0.111 0.000 0.745 811 L CB -0.668 41.468 42.059 0.128 0.000 0.894 811 L HN 0.291 nan 8.230 nan 0.000 0.432 812 H N 0.081 119.262 119.070 0.185 0.000 2.319 812 H HA -0.257 4.300 4.556 0.000 0.000 0.297 812 H C 2.369 177.835 175.328 0.230 0.000 1.097 812 H CA 2.194 58.406 56.048 0.275 0.000 1.285 812 H CB 0.103 30.155 29.762 0.483 0.000 1.368 812 H HN 0.024 nan 8.280 nan 0.000 0.495 813 R N 0.563 121.229 120.500 0.277 0.000 2.073 813 R HA -0.040 4.300 4.340 0.000 0.000 0.234 813 R C 2.369 178.757 176.300 0.147 0.000 1.134 813 R CA 1.630 57.857 56.100 0.212 0.000 0.952 813 R CB -0.947 29.450 30.300 0.160 0.000 0.850 813 R HN 0.405 nan 8.270 nan 0.000 0.433 814 A N 0.540 123.421 122.820 0.102 0.000 1.877 814 A HA -0.088 4.232 4.320 0.000 0.000 0.216 814 A C 2.288 179.904 177.584 0.053 0.000 1.186 814 A CA 1.596 53.672 52.037 0.065 0.000 0.620 814 A CB -0.661 18.367 19.000 0.045 0.000 0.822 814 A HN 0.362 nan 8.150 nan 0.000 0.443 815 L N -1.630 119.623 121.223 0.049 0.000 2.093 815 L HA -0.182 4.158 4.340 0.000 0.000 0.208 815 L C 2.650 179.534 176.870 0.023 0.000 1.085 815 L CA 1.736 56.592 54.840 0.025 0.000 0.755 815 L CB -0.709 41.359 42.059 0.015 0.000 0.904 815 L HN 0.645 nan 8.230 nan 0.000 0.435 816 H N 0.323 119.339 119.070 -0.090 0.000 2.421 816 H HA -0.105 4.451 4.556 0.000 0.000 0.298 816 H C 2.067 177.390 175.328 -0.008 0.000 1.087 816 H CA 1.338 57.343 56.048 -0.070 0.000 1.330 816 H CB 0.171 29.890 29.762 -0.071 0.000 1.388 816 H HN 0.273 nan 8.280 nan 0.000 0.526 817 A N -0.005 122.798 122.820 -0.029 0.000 2.014 817 A HA -0.097 4.223 4.320 0.000 0.000 0.218 817 A C 2.080 179.615 177.584 -0.082 0.000 1.163 817 A CA 1.242 53.234 52.037 -0.076 0.000 0.652 817 A CB -0.222 18.787 19.000 0.016 0.000 0.808 817 A HN 0.613 nan 8.150 nan 0.000 0.449 818 Q N -1.335 118.434 119.800 -0.052 0.000 2.403 818 Q HA 0.237 4.578 4.340 0.000 0.000 0.203 818 Q C 0.824 176.793 176.000 -0.053 0.000 0.932 818 Q CA 0.290 56.071 55.803 -0.037 0.000 0.945 818 Q CB 0.087 28.818 28.738 -0.011 0.000 1.045 818 Q HN 0.826 nan 8.270 nan 0.000 0.511 819 G N 2.212 110.952 108.800 -0.100 0.000 2.225 819 G HA2 -0.229 3.731 3.960 0.000 0.000 0.264 819 G HA3 -0.229 3.731 3.960 0.000 0.000 0.264 819 G C -0.484 174.397 174.900 -0.032 0.000 1.060 819 G CA 0.164 45.211 45.100 -0.088 0.000 0.833 819 G HN 0.359 nan 8.290 nan 0.000 0.498 820 D N 0.715 121.107 120.400 -0.013 0.000 2.346 820 D HA 0.228 4.868 4.640 0.000 0.000 0.260 820 D C 0.210 176.530 176.300 0.034 0.000 1.252 820 D CA -1.123 52.885 54.000 0.014 0.000 0.895 820 D CB 1.122 41.933 40.800 0.018 0.000 1.097 820 D HN 0.264 nan 8.370 nan 0.000 0.489 821 P HA -0.025 nan 4.420 nan 0.000 0.229 821 P C 0.607 177.932 177.300 0.042 0.000 1.160 821 P CA 0.303 63.425 63.100 0.037 0.000 0.777 821 P CB 0.353 32.068 31.700 0.025 0.000 0.814 822 A N -0.474 122.370 122.820 0.041 0.000 2.307 822 A HA 0.228 4.548 4.320 0.000 0.000 0.218 822 A C 1.066 178.685 177.584 0.058 0.000 1.228 822 A CA -0.278 51.784 52.037 0.042 0.000 0.857 822 A CB -0.703 18.318 19.000 0.035 0.000 0.897 822 A HN 0.136 nan 8.150 nan 0.000 0.495 823 L N 0.728 121.995 121.223 0.074 0.000 2.426 823 L HA 0.151 4.491 4.340 0.000 0.000 0.271 823 L C 1.105 178.065 176.870 0.150 0.000 1.169 823 L CA -0.257 54.651 54.840 0.113 0.000 0.836 823 L CB 1.193 43.278 42.059 0.044 0.000 1.112 823 L HN 0.308 nan 8.230 nan 0.000 0.465 824 S N 2.580 118.391 115.700 0.185 0.000 2.585 824 S HA 0.248 4.718 4.470 0.000 0.000 0.273 824 S C 0.552 175.199 174.600 0.078 0.000 1.339 824 S CA -0.320 57.910 58.200 0.050 0.000 1.028 824 S CB 0.598 63.754 63.200 -0.073 0.000 0.906 824 S HN 0.617 nan 8.310 nan 0.000 0.528 825 M N 2.988 122.534 119.600 -0.090 0.000 2.496 825 M HA 0.167 4.647 4.480 0.000 0.000 0.330 825 M C 0.683 176.777 176.300 -0.343 0.000 1.133 825 M CA -0.191 55.096 55.300 -0.021 0.000 0.964 825 M CB 0.489 33.100 32.600 0.017 0.000 1.401 825 M HN 0.784 nan 8.290 nan 0.000 0.520 826 S N -2.502 112.605 115.700 -0.990 0.000 2.560 826 S HA 0.236 4.706 4.470 0.000 0.000 0.281 826 S C 0.056 173.479 174.600 -1.963 0.000 1.075 826 S CA -0.413 56.994 58.200 -1.322 0.000 1.295 826 S CB 0.421 63.110 63.200 -0.853 0.000 1.156 826 S HN 0.443 nan 8.310 nan 0.000 0.627 827 H N -0.969 117.102 119.070 -1.664 0.000 2.980 827 H HA 0.594 5.150 4.556 0.000 0.000 0.367 827 H C -1.532 173.363 175.328 -0.722 0.000 1.206 827 H CA -0.747 54.636 56.048 -1.108 0.000 1.126 827 H CB 0.742 30.159 29.762 -0.574 0.000 1.838 827 H HN 0.310 nan 8.280 nan 0.000 0.552 828 W N 1.958 123.215 121.300 -0.072 0.000 2.313 828 W HA 0.277 4.938 4.660 0.000 0.000 0.328 828 W C 0.418 176.938 176.519 0.001 0.000 1.197 828 W CA -0.729 56.656 57.345 0.067 0.000 1.235 828 W CB 0.677 30.190 29.460 0.088 0.000 1.158 828 W HN 0.347 nan 8.180 nan 0.000 0.578 829 M N 4.391 124.263 119.600 0.453 0.000 3.700 829 M HA 0.127 4.607 4.480 0.000 0.000 0.190 829 M C -0.996 175.524 176.300 0.367 0.000 1.422 829 M CA 0.434 55.913 55.300 0.297 0.000 1.646 829 M CB -1.173 31.594 32.600 0.278 0.000 1.154 829 M HN 0.338 nan 8.290 nan 0.000 0.506 830 F N -3.678 116.396 119.950 0.206 0.000 2.745 830 F HA 0.439 4.966 4.527 0.000 0.000 0.316 830 F C -0.570 175.297 175.800 0.113 0.000 1.155 830 F CA -1.367 56.749 58.000 0.192 0.000 0.937 830 F CB 0.883 40.090 39.000 0.345 0.000 1.361 830 F HN -0.071 nan 8.300 nan 0.000 0.472 831 H N 2.557 121.739 119.070 0.186 0.000 3.109 831 H HA 0.228 4.784 4.556 0.000 0.000 0.266 831 H C 0.604 175.913 175.328 -0.031 0.000 1.334 831 H CA 0.648 56.651 56.048 -0.074 0.000 1.456 831 H CB 0.940 30.597 29.762 -0.175 0.000 1.587 831 H HN 0.838 nan 8.280 nan 0.000 0.500 832 Q N 2.320 121.939 119.800 -0.302 0.000 2.096 832 Q HA -0.221 4.119 4.340 0.000 0.000 0.204 832 Q C 2.049 178.119 176.000 0.116 0.000 0.982 832 Q CA 1.605 57.322 55.803 -0.143 0.000 0.850 832 Q CB 0.208 28.802 28.738 -0.239 0.000 0.901 832 Q HN 0.691 nan 8.270 nan 0.000 0.422 833 Q N -0.080 119.777 119.800 0.094 0.000 2.046 833 Q HA -0.162 4.178 4.340 0.000 0.000 0.200 833 Q C 2.073 178.164 176.000 0.151 0.000 0.975 833 Q CA 1.214 57.092 55.803 0.125 0.000 0.836 833 Q CB -0.141 28.656 28.738 0.100 0.000 0.896 833 Q HN 0.393 nan 8.270 nan 0.000 0.428 834 A N 0.859 123.800 122.820 0.201 0.000 1.917 834 A HA -0.216 4.105 4.320 0.000 0.000 0.219 834 A C 1.985 179.644 177.584 0.125 0.000 1.182 834 A CA 1.515 53.507 52.037 -0.074 0.000 0.633 834 A CB -0.831 17.870 19.000 -0.499 0.000 0.819 834 A HN 0.494 nan 8.150 nan 0.000 0.448 835 L N -0.149 121.231 121.223 0.262 0.000 2.083 835 L HA -0.189 4.151 4.340 0.000 0.000 0.209 835 L C 2.442 179.479 176.870 0.279 0.000 1.083 835 L CA 2.269 57.314 54.840 0.342 0.000 0.752 835 L CB -0.691 41.688 42.059 0.533 0.000 0.899 835 L HN 0.514 nan 8.230 nan 0.000 0.433 836 Q N -0.667 119.259 119.800 0.209 0.000 2.119 836 Q HA -0.222 4.118 4.340 0.000 0.000 0.201 836 Q C 2.067 178.112 176.000 0.074 0.000 0.972 836 Q CA 1.818 57.696 55.803 0.125 0.000 0.847 836 Q CB -0.135 28.653 28.738 0.082 0.000 0.903 836 Q HN 0.647 nan 8.270 nan 0.000 0.433 837 E N -0.233 120.006 120.200 0.065 0.000 2.152 837 E HA -0.184 4.166 4.350 0.000 0.000 0.192 837 E C 1.591 178.256 176.600 0.108 0.000 0.983 837 E CA 0.735 57.137 56.400 0.003 0.000 0.818 837 E CB -0.041 29.602 29.700 -0.096 0.000 0.758 837 E HN 0.318 nan 8.360 nan 0.000 0.467 838 Y N 1.194 121.546 120.300 0.087 0.000 2.163 838 Y HA -0.154 4.396 4.550 0.000 0.000 0.288 838 Y C 1.785 177.731 175.900 0.077 0.000 1.136 838 Y CA 1.270 59.450 58.100 0.134 0.000 1.147 838 Y CB -0.144 38.394 38.460 0.130 0.000 0.987 838 Y HN -0.065 nan 8.280 nan 0.000 0.509 839 I N -0.301 120.238 120.570 -0.052 0.000 2.113 839 I HA -0.343 3.827 4.170 0.000 0.000 0.238 839 I C 2.368 178.392 176.117 -0.155 0.000 1.070 839 I CA 1.589 62.796 61.300 -0.154 0.000 1.332 839 I CB -0.641 37.365 38.000 0.010 0.000 1.044 839 I HN 0.198 nan 8.210 nan 0.000 0.402 840 L N -0.281 120.894 121.223 -0.080 0.000 2.083 840 L HA -0.216 4.124 4.340 0.000 0.000 0.209 840 L C 2.486 179.275 176.870 -0.135 0.000 1.083 840 L CA 1.554 56.348 54.840 -0.077 0.000 0.752 840 L CB -0.396 41.626 42.059 -0.061 0.000 0.899 840 L HN 0.325 nan 8.230 nan 0.000 0.433 841 M N -2.259 117.212 119.600 -0.215 0.000 2.501 841 M HA -0.027 4.454 4.480 0.000 0.000 0.261 841 M C 1.728 177.966 176.300 -0.104 0.000 1.129 841 M CA 0.492 55.605 55.300 -0.311 0.000 1.126 841 M CB 0.236 32.532 32.600 -0.508 0.000 1.359 841 M HN 0.328 nan 8.290 nan 0.000 0.471 842 C N -1.799 117.367 119.300 -0.223 0.000 2.964 842 C HA 0.143 4.603 4.460 0.000 0.000 0.358 842 C C 2.101 176.903 174.990 -0.313 0.000 1.289 842 C CA -0.411 58.437 59.018 -0.283 0.000 1.856 842 C CB -0.230 27.246 27.740 -0.440 0.000 2.488 842 C HN 0.550 nan 8.230 nan 0.000 0.604 843 C N 1.288 120.364 119.300 -0.373 0.000 2.697 843 C HA 0.142 4.603 4.460 0.000 0.000 0.267 843 C C 0.787 175.698 174.990 -0.131 0.000 1.278 843 C CA 0.029 58.889 59.018 -0.264 0.000 1.708 843 C CB -1.870 25.695 27.740 -0.291 0.000 1.860 843 C HN 0.618 nan 8.230 nan 0.000 0.589 844 Q N 0.092 119.853 119.800 -0.065 0.000 2.257 844 Q HA 0.321 4.661 4.340 0.000 0.000 0.255 844 Q C -0.525 175.479 176.000 0.008 0.000 0.920 844 Q CA -0.114 55.704 55.803 0.026 0.000 0.927 844 Q CB 1.745 30.544 28.738 0.102 0.000 1.229 844 Q HN 0.410 nan 8.270 nan 0.000 0.433 845 C N 5.301 124.604 119.300 0.005 0.000 2.325 845 C HA 0.294 4.754 4.460 0.000 0.000 0.347 845 C C -0.802 174.166 174.990 -0.036 0.000 1.263 845 C CA -2.005 56.982 59.018 -0.052 0.000 1.806 845 C CB 0.097 27.756 27.740 -0.135 0.000 2.405 845 C HN 0.757 nan 8.230 nan 0.000 0.537 846 P HA -0.146 nan 4.420 nan 0.000 0.216 846 P C 1.068 178.335 177.300 -0.054 0.000 1.150 846 P CA 2.339 65.416 63.100 -0.038 0.000 0.843 846 P CB 0.034 31.716 31.700 -0.028 0.000 0.787 847 A N -0.682 122.099 122.820 -0.066 0.000 2.235 847 A HA 0.436 4.756 4.320 0.000 0.000 0.208 847 A C 1.069 178.606 177.584 -0.079 0.000 1.172 847 A CA 0.752 52.749 52.037 -0.065 0.000 0.786 847 A CB -1.025 17.932 19.000 -0.072 0.000 0.804 847 A HN 0.452 nan 8.150 nan 0.000 0.479 848 G N -2.702 106.041 108.800 -0.094 0.000 2.674 848 G HA2 0.540 4.500 3.960 0.000 0.000 0.686 848 G HA3 0.540 4.500 3.960 0.000 0.000 0.686 848 G C 0.377 175.179 174.900 -0.163 0.000 1.195 848 G CA -0.235 44.849 45.100 -0.027 0.000 0.776 848 G HN 2.429 nan 8.290 nan 0.000 0.654 849 G N -0.945 108.001 108.800 0.243 0.000 2.662 849 G HA2 0.380 4.340 3.960 0.000 0.000 0.686 849 G HA3 0.380 4.340 3.960 0.000 0.000 0.686 849 G C -0.628 174.179 174.900 -0.156 0.000 1.271 849 G CA 0.082 45.081 45.100 -0.169 0.000 0.816 849 G HN 1.673 nan 8.290 nan 0.000 0.608 850 L N -0.098 121.011 121.223 -0.190 0.000 2.271 850 L HA 0.985 5.325 4.340 0.000 0.000 0.265 850 L C 0.385 177.187 176.870 -0.114 0.000 1.013 850 L CA -0.925 53.821 54.840 -0.158 0.000 0.820 850 L CB 1.783 43.722 42.059 -0.200 0.000 1.352 850 L HN 1.032 nan 8.230 nan 0.000 0.443 851 L N -3.249 117.898 121.223 -0.126 0.000 2.503 851 L HA 0.654 4.994 4.340 0.000 0.000 0.248 851 L C 0.392 177.090 176.870 -0.288 0.000 1.126 851 L CA -0.654 54.053 54.840 -0.221 0.000 0.929 851 L CB 0.141 42.064 42.059 -0.226 0.000 1.544 851 L HN 0.427 nan 8.230 nan 0.000 0.404 852 D N 0.133 120.173 120.400 -0.600 0.000 2.081 852 D HA -0.090 4.550 4.640 0.000 0.000 0.194 852 D C 0.013 176.310 176.300 -0.006 0.000 0.986 852 D CA 2.346 56.158 54.000 -0.313 0.000 0.837 852 D CB 0.377 40.984 40.800 -0.322 0.000 0.985 852 D HN 0.708 nan 8.370 nan 0.000 0.448 853 K N -1.838 118.540 120.400 -0.036 0.000 2.578 853 K HA 0.514 4.835 4.320 0.000 0.000 0.287 853 K C -3.015 173.570 176.600 -0.024 0.000 1.010 853 K CA -1.638 54.677 56.287 0.047 0.000 0.889 853 K CB 1.296 33.879 32.500 0.138 0.000 1.514 853 K HN -0.303 nan 8.250 nan 0.000 0.424 854 P HA 0.039 nan 4.420 nan 0.000 0.263 854 P C 0.403 177.691 177.300 -0.020 0.000 1.195 854 P CA 1.686 64.768 63.100 -0.030 0.000 0.762 854 P CB 0.550 32.236 31.700 -0.023 0.000 0.799 855 G N 1.860 110.642 108.800 -0.030 0.000 2.238 855 G HA2 -0.161 3.799 3.960 0.000 0.000 0.217 855 G HA3 -0.161 3.799 3.960 0.000 0.000 0.217 855 G C 0.164 175.046 174.900 -0.031 0.000 0.996 855 G CA -0.384 44.702 45.100 -0.023 0.000 0.632 855 G HN 0.441 nan 8.290 nan 0.000 0.503 856 K N 1.316 121.686 120.400 -0.049 0.000 2.090 856 K HA 0.687 5.008 4.320 0.000 0.000 0.249 856 K C 0.656 177.208 176.600 -0.081 0.000 0.995 856 K CA 0.210 56.456 56.287 -0.067 0.000 0.914 856 K CB 1.481 33.916 32.500 -0.108 0.000 1.057 856 K HN 0.584 nan 8.250 nan 0.000 0.462 857 S N 0.332 115.987 115.700 -0.074 0.000 2.617 857 S HA 0.449 4.920 4.470 0.000 0.000 0.283 857 S C 0.257 174.799 174.600 -0.097 0.000 1.189 857 S CA -0.972 57.183 58.200 -0.075 0.000 1.036 857 S CB 1.377 64.551 63.200 -0.044 0.000 1.014 857 S HN 0.582 nan 8.310 nan 0.000 0.522 858 R N 0.387 120.811 120.500 -0.127 0.000 2.801 858 R HA 0.522 4.862 4.340 0.000 0.000 0.273 858 R C -1.074 175.192 176.300 -0.057 0.000 1.080 858 R CA -0.255 55.752 56.100 -0.155 0.000 1.197 858 R CB -0.400 29.696 30.300 -0.341 0.000 1.109 858 R HN 0.867 nan 8.270 nan 0.000 0.535 859 D N -1.337 119.057 120.400 -0.010 0.000 2.766 859 D HA 0.059 4.699 4.640 0.000 0.000 0.244 859 D C -0.412 175.924 176.300 0.061 0.000 1.198 859 D CA -0.756 53.301 54.000 0.095 0.000 0.739 859 D CB -0.174 40.756 40.800 0.216 0.000 1.379 859 D HN 0.389 nan 8.370 nan 0.000 0.437 860 F N -0.178 120.012 119.950 0.400 0.000 2.250 860 F HA -0.095 4.432 4.527 0.000 0.000 0.301 860 F C 1.969 177.704 175.800 -0.109 0.000 1.077 860 F CA 0.890 59.019 58.000 0.215 0.000 1.348 860 F CB -0.416 38.762 39.000 0.297 0.000 1.040 860 F HN 0.499 nan 8.300 nan 0.000 0.509 861 Y N 0.660 120.723 120.300 -0.395 0.000 2.070 861 Y HA -0.260 4.290 4.550 0.000 0.000 0.279 861 Y C 2.515 178.133 175.900 -0.471 0.000 1.134 861 Y CA 1.911 59.365 58.100 -1.077 0.000 1.113 861 Y CB -1.163 36.669 38.460 -1.047 0.000 0.981 861 Y HN 0.038 nan 8.280 nan 0.000 0.487 862 H N -0.741 118.112 119.070 -0.361 0.000 2.387 862 H HA -0.131 4.425 4.556 0.000 0.000 0.299 862 H C 2.176 177.323 175.328 -0.302 0.000 1.099 862 H CA 2.238 58.065 56.048 -0.370 0.000 1.315 862 H CB -0.428 29.238 29.762 -0.159 0.000 1.380 862 H HN 0.344 nan 8.280 nan 0.000 0.513 863 T N -0.384 114.104 114.554 -0.111 0.000 2.652 863 T HA -0.279 4.071 4.350 0.000 0.000 0.267 863 T C 2.376 176.923 174.700 -0.256 0.000 1.039 863 T CA 1.380 63.398 62.100 -0.136 0.000 1.153 863 T CB -0.822 68.062 68.868 0.027 0.000 0.863 863 T HN 0.587 nan 8.240 nan 0.000 0.428 864 C N 0.801 119.892 119.300 -0.348 0.000 2.413 864 C HA -0.099 4.361 4.460 0.000 0.000 0.277 864 C C 2.376 176.906 174.990 -0.766 0.000 1.228 864 C CA 0.631 59.308 59.018 -0.568 0.000 1.731 864 C CB -1.713 25.587 27.740 -0.732 0.000 2.042 864 C HN 0.552 nan 8.230 nan 0.000 0.468 865 F N 0.374 119.992 119.950 -0.553 0.000 2.293 865 F HA 0.011 4.538 4.527 0.000 0.000 0.297 865 F C 2.754 178.338 175.800 -0.359 0.000 1.089 865 F CA 1.384 59.036 58.000 -0.579 0.000 1.377 865 F CB -0.822 37.665 39.000 -0.855 0.000 1.051 865 F HN 0.277 nan 8.300 nan 0.000 0.511 866 C N 0.305 119.504 119.300 -0.168 0.000 2.413 866 C HA -0.158 4.302 4.460 0.000 0.000 0.276 866 C C 2.795 177.725 174.990 -0.100 0.000 1.248 866 C CA 0.917 59.881 59.018 -0.091 0.000 1.742 866 C CB -1.166 26.513 27.740 -0.101 0.000 2.017 866 C HN 0.429 nan 8.230 nan 0.000 0.481 867 L N 0.066 121.180 121.223 -0.181 0.000 2.072 867 L HA -0.103 4.238 4.340 0.000 0.000 0.205 867 L C 2.657 179.442 176.870 -0.142 0.000 1.079 867 L CA 1.282 56.019 54.840 -0.173 0.000 0.752 867 L CB -0.708 41.203 42.059 -0.245 0.000 0.906 867 L HN 0.268 nan 8.230 nan 0.000 0.436 868 S N 0.204 115.780 115.700 -0.207 0.000 2.370 868 S HA -0.153 4.317 4.470 0.000 0.000 0.226 868 S C 2.000 176.670 174.600 0.116 0.000 1.033 868 S CA 1.407 59.542 58.200 -0.108 0.000 1.011 868 S CB -0.600 62.373 63.200 -0.379 0.000 0.852 868 S HN 0.616 nan 8.310 nan 0.000 0.457 869 G N 1.339 110.203 108.800 0.106 0.000 2.394 869 G HA2 -0.119 3.841 3.960 0.000 0.000 0.215 869 G HA3 -0.119 3.841 3.960 0.000 0.000 0.215 869 G C 1.363 176.342 174.900 0.131 0.000 1.165 869 G CA 0.634 45.809 45.100 0.126 0.000 0.784 869 G HN 0.410 nan 8.290 nan 0.000 0.535 870 L N 1.197 122.471 121.223 0.085 0.000 2.079 870 L HA -0.022 4.318 4.340 0.000 0.000 0.210 870 L C 2.864 179.785 176.870 0.084 0.000 1.081 870 L CA 2.359 57.249 54.840 0.083 0.000 0.752 870 L CB -0.639 41.436 42.059 0.027 0.000 0.896 870 L HN 0.245 nan 8.230 nan 0.000 0.433 871 S N -0.950 114.806 115.700 0.094 0.000 2.383 871 S HA -0.106 4.364 4.470 0.000 0.000 0.227 871 S C 2.036 176.780 174.600 0.240 0.000 1.026 871 S CA 1.336 59.627 58.200 0.152 0.000 0.981 871 S CB -0.356 62.949 63.200 0.175 0.000 0.818 871 S HN 0.497 nan 8.310 nan 0.000 0.472 872 I N 1.502 122.222 120.570 0.251 0.000 2.315 872 I HA -0.104 4.067 4.170 0.000 0.000 0.248 872 I C 2.737 179.119 176.117 0.442 0.000 1.117 872 I CA 1.051 62.529 61.300 0.298 0.000 1.404 872 I CB -0.448 37.637 38.000 0.143 0.000 1.071 872 I HN 0.380 nan 8.210 nan 0.000 0.419 873 A N 0.150 123.209 122.820 0.398 0.000 2.015 873 A HA -0.208 4.112 4.320 0.000 0.000 0.219 873 A C 2.163 179.865 177.584 0.197 0.000 1.163 873 A CA 1.353 53.656 52.037 0.443 0.000 0.646 873 A CB -0.382 18.862 19.000 0.405 0.000 0.806 873 A HN 0.514 nan 8.150 nan 0.000 0.448 874 Q N -1.066 118.750 119.800 0.027 0.000 2.376 874 Q HA 0.056 4.396 4.340 0.000 0.000 0.206 874 Q C -0.311 175.487 176.000 -0.336 0.000 0.921 874 Q CA 0.431 56.090 55.803 -0.241 0.000 0.911 874 Q CB 0.256 28.697 28.738 -0.494 0.000 1.032 874 Q HN 0.694 nan 8.270 nan 0.000 0.510 875 H N -0.594 118.599 119.070 0.204 0.000 2.505 875 H HA 0.294 4.850 4.556 0.000 0.000 0.338 875 H C -1.571 173.946 175.328 0.315 0.000 1.057 875 H CA -0.783 55.376 56.048 0.185 0.000 1.202 875 H CB 1.000 30.859 29.762 0.163 0.000 1.466 875 H HN 0.007 nan 8.280 nan 0.000 0.499 876 F N 1.747 121.679 119.950 -0.030 0.000 2.495 876 F HA 0.635 5.162 4.527 0.000 0.000 0.327 876 F C -0.436 175.197 175.800 -0.278 0.000 1.103 876 F CA -0.422 57.258 58.000 -0.533 0.000 0.949 876 F CB 1.949 40.363 39.000 -0.978 0.000 1.142 876 F HN 0.588 nan 8.300 nan 0.000 0.457 877 G N 2.323 110.398 108.800 -1.207 0.000 2.753 877 G HA2 0.511 4.471 3.960 0.000 0.000 0.297 877 G HA3 0.511 4.471 3.960 0.000 0.000 0.297 877 G C -1.947 172.409 174.900 -0.906 0.000 1.430 877 G CA -0.821 43.823 45.100 -0.760 0.000 1.040 877 G HN 0.835 nan 8.290 nan 0.000 0.530 878 S N 0.937 116.273 115.700 -0.606 0.000 2.550 878 S HA 0.616 5.086 4.470 0.000 0.000 0.274 878 S C 0.698 175.194 174.600 -0.174 0.000 1.110 878 S CA 0.933 58.922 58.200 -0.352 0.000 1.013 878 S CB 0.224 63.236 63.200 -0.312 0.000 1.152 878 S HN 2.733 nan 8.310 nan 0.000 0.450 879 G N 4.036 112.774 108.800 -0.104 0.000 2.536 879 G HA2 -0.114 3.847 3.960 0.000 0.000 0.280 879 G HA3 -0.114 3.847 3.960 0.000 0.000 0.280 879 G C 0.896 175.792 174.900 -0.006 0.000 1.152 879 G CA 0.247 45.341 45.100 -0.011 0.000 0.970 879 G HN 1.946 nan 8.290 nan 0.000 0.549 880 A N -0.574 122.254 122.820 0.014 0.000 2.275 880 A HA 0.597 4.917 4.320 0.000 0.000 0.212 880 A C 1.129 178.718 177.584 0.008 0.000 1.201 880 A CA 0.982 53.026 52.037 0.013 0.000 0.843 880 A CB -0.132 18.884 19.000 0.026 0.000 0.873 880 A HN 0.507 nan 8.150 nan 0.000 0.492 881 M N 0.636 120.238 119.600 0.002 0.000 2.146 881 M HA 0.477 4.958 4.480 0.000 0.000 0.357 881 M C -1.344 174.962 176.300 0.009 0.000 1.261 881 M CA -0.420 54.899 55.300 0.032 0.000 1.106 881 M CB 0.437 33.097 32.600 0.100 0.000 1.612 881 M HN 0.031 nan 8.290 nan 0.000 0.470 882 L N 3.786 125.041 121.223 0.053 0.000 2.409 882 L HA 0.428 4.768 4.340 0.000 0.000 0.272 882 L C -0.749 176.206 176.870 0.142 0.000 0.980 882 L CA -0.247 54.626 54.840 0.055 0.000 0.826 882 L CB 1.657 43.723 42.059 0.011 0.000 1.268 882 L HN 0.650 nan 8.230 nan 0.000 0.407 883 H N 1.340 120.439 119.070 0.049 0.000 3.172 883 H HA 0.511 5.068 4.556 0.000 0.000 0.322 883 H C -1.480 173.808 175.328 -0.067 0.000 1.003 883 H CA -0.509 55.506 56.048 -0.056 0.000 1.466 883 H CB 0.964 30.600 29.762 -0.211 0.000 1.673 883 H HN 0.512 nan 8.280 nan 0.000 0.512 884 D N 3.132 123.287 120.400 -0.408 0.000 2.253 884 D HA 0.388 5.028 4.640 0.000 0.000 0.249 884 D C -0.414 175.605 176.300 -0.468 0.000 1.049 884 D CA -0.317 53.512 54.000 -0.286 0.000 0.929 884 D CB 2.091 42.850 40.800 -0.068 0.000 1.176 884 D HN 0.265 nan 8.370 nan 0.000 0.437 885 V N 2.119 121.855 119.914 -0.296 0.000 2.538 885 V HA 0.127 4.247 4.120 0.000 0.000 0.265 885 V C -0.452 175.555 176.094 -0.147 0.000 0.977 885 V CA -0.702 61.470 62.300 -0.214 0.000 0.852 885 V CB 1.505 33.233 31.823 -0.158 0.000 1.058 885 V HN 0.267 nan 8.190 nan 0.000 0.462 886 V N 5.411 125.250 119.914 -0.126 0.000 2.320 886 V HA 0.341 4.461 4.120 0.000 0.000 0.265 886 V C 0.181 176.242 176.094 -0.055 0.000 1.048 886 V CA -0.386 61.858 62.300 -0.094 0.000 0.865 886 V CB 1.289 33.067 31.823 -0.075 0.000 1.043 886 V HN 0.624 nan 8.190 nan 0.000 0.474 887 L N 5.614 126.813 121.223 -0.040 0.000 2.461 887 L HA 0.733 5.074 4.340 0.000 0.000 0.272 887 L C 0.924 177.784 176.870 -0.017 0.000 1.197 887 L CA 1.998 56.823 54.840 -0.025 0.000 0.836 887 L CB 0.450 42.500 42.059 -0.015 0.000 1.105 887 L HN 0.925 nan 8.230 nan 0.000 0.477 888 G N 2.613 111.406 108.800 -0.011 0.000 2.542 888 G HA2 -0.127 3.833 3.960 0.000 0.000 0.235 888 G HA3 -0.127 3.833 3.960 0.000 0.000 0.235 888 G C -0.319 174.586 174.900 0.008 0.000 1.286 888 G CA -0.258 44.844 45.100 0.005 0.000 0.904 888 G HN 1.644 nan 8.290 nan 0.000 0.577 889 V N -1.343 118.583 119.914 0.019 0.000 2.655 889 V HA 0.466 4.586 4.120 0.000 0.000 0.300 889 V C -0.375 175.725 176.094 0.009 0.000 1.044 889 V CA -0.035 62.276 62.300 0.019 0.000 1.095 889 V CB 0.840 32.678 31.823 0.027 0.000 0.952 889 V HN 0.596 nan 8.190 nan 0.000 0.485 890 P HA -0.183 nan 4.420 nan 0.000 0.218 890 P C 1.316 178.619 177.300 0.006 0.000 1.152 890 P CA 1.797 64.898 63.100 0.002 0.000 0.857 890 P CB 0.131 31.833 31.700 0.003 0.000 0.787 891 E N -1.093 119.111 120.200 0.008 0.000 2.267 891 E HA -0.169 4.181 4.350 0.000 0.000 0.197 891 E C 1.601 178.207 176.600 0.011 0.000 0.998 891 E CA 0.786 57.190 56.400 0.007 0.000 0.830 891 E CB -0.938 28.766 29.700 0.006 0.000 0.751 891 E HN 0.301 nan 8.360 nan 0.000 0.491 892 N N 0.845 119.553 118.700 0.012 0.000 2.348 892 N HA -0.075 4.665 4.740 0.000 0.000 0.185 892 N C 0.125 175.643 175.510 0.012 0.000 1.019 892 N CA 0.928 53.987 53.050 0.014 0.000 0.880 892 N CB -0.407 38.085 38.487 0.008 0.000 0.965 892 N HN 0.176 nan 8.380 nan 0.000 0.437 893 A N 0.967 123.796 122.820 0.014 0.000 2.567 893 A HA 0.167 4.487 4.320 0.000 0.000 0.240 893 A C 0.339 177.964 177.584 0.069 0.000 1.053 893 A CA 0.262 52.322 52.037 0.038 0.000 0.755 893 A CB -0.150 18.890 19.000 0.067 0.000 0.978 893 A HN 0.244 nan 8.150 nan 0.000 0.507 894 L N 1.910 123.202 121.223 0.114 0.000 2.331 894 L HA 0.341 4.681 4.340 0.000 0.000 0.268 894 L C 0.371 177.359 176.870 0.197 0.000 1.015 894 L CA -1.087 53.818 54.840 0.108 0.000 0.807 894 L CB 0.969 43.067 42.059 0.065 0.000 1.293 894 L HN 0.650 nan 8.230 nan 0.000 0.451 895 Q N 2.171 122.018 119.800 0.078 0.000 2.373 895 Q HA 0.229 4.569 4.340 0.000 0.000 0.255 895 Q C -2.191 173.845 176.000 0.060 0.000 0.980 895 Q CA -1.564 54.261 55.803 0.035 0.000 0.882 895 Q CB 0.580 29.317 28.738 -0.001 0.000 1.249 895 Q HN 0.263 nan 8.270 nan 0.000 0.438 896 P HA 0.022 nan 4.420 nan 0.000 0.270 896 P C -0.426 176.951 177.300 0.127 0.000 1.223 896 P CA -0.063 63.049 63.100 0.019 0.000 0.785 896 P CB 0.829 32.454 31.700 -0.125 0.000 0.923 897 T N 0.078 114.751 114.554 0.198 0.000 2.893 897 T HA 0.176 4.526 4.350 0.000 0.000 0.293 897 T C -0.771 174.098 174.700 0.283 0.000 1.027 897 T CA -0.507 61.757 62.100 0.272 0.000 0.988 897 T CB 0.374 69.434 68.868 0.320 0.000 1.043 897 T HN 0.390 nan 8.240 nan 0.000 0.461 898 H N 6.254 125.481 119.070 0.261 0.000 2.899 898 H HA 0.218 4.774 4.556 0.000 0.000 0.303 898 H C -1.559 173.972 175.328 0.338 0.000 1.042 898 H CA -1.655 54.563 56.048 0.284 0.000 1.479 898 H CB 1.792 31.759 29.762 0.341 0.000 1.493 898 H HN 0.438 nan 8.280 nan 0.000 0.534 899 P HA -0.150 nan 4.420 nan 0.000 0.220 899 P C 1.361 178.969 177.300 0.512 0.000 1.148 899 P CA 0.632 63.916 63.100 0.306 0.000 0.803 899 P CB 0.635 32.349 31.700 0.022 0.000 0.782 900 V N -1.372 118.900 119.914 0.597 0.000 2.331 900 V HA -0.142 3.978 4.120 0.000 0.000 0.242 900 V C 2.313 178.619 176.094 0.353 0.000 1.034 900 V CA 1.647 64.133 62.300 0.310 0.000 1.027 900 V CB -1.257 30.537 31.823 -0.050 0.000 0.667 900 V HN -0.023 nan 8.190 nan 0.000 0.457 901 Y N -0.684 119.946 120.300 0.550 0.000 2.497 901 Y HA 0.271 4.822 4.550 0.000 0.000 0.265 901 Y C 1.318 177.447 175.900 0.381 0.000 1.111 901 Y CA 0.152 58.487 58.100 0.392 0.000 1.288 901 Y CB -0.120 38.371 38.460 0.053 0.000 1.082 901 Y HN 0.380 nan 8.280 nan 0.000 0.536 902 N N 1.183 120.200 118.700 0.528 0.000 2.708 902 N HA -0.202 4.538 4.740 0.000 0.000 0.255 902 N C -0.991 174.451 175.510 -0.113 0.000 1.046 902 N CA 0.960 54.138 53.050 0.213 0.000 0.715 902 N CB -1.427 37.005 38.487 -0.093 0.000 0.895 902 N HN 0.647 nan 8.380 nan 0.000 0.545 903 I N -3.959 116.690 120.570 0.132 0.000 3.102 903 I HA 0.696 4.866 4.170 0.000 0.000 0.310 903 I C 0.930 177.203 176.117 0.260 0.000 1.246 903 I CA -1.032 60.337 61.300 0.115 0.000 0.979 903 I CB 1.464 39.521 38.000 0.095 0.000 1.267 903 I HN 0.048 nan 8.210 nan 0.000 0.451 904 G N 2.606 111.546 108.800 0.234 0.000 2.287 904 G HA2 0.220 4.180 3.960 0.000 0.000 0.235 904 G HA3 0.220 4.180 3.960 0.000 0.000 0.235 904 G C -2.025 172.993 174.900 0.196 0.000 1.258 904 G CA -0.465 44.748 45.100 0.188 0.000 0.884 904 G HN 0.619 nan 8.290 nan 0.000 0.518 905 P HA -0.114 nan 4.420 nan 0.000 0.216 905 P C 1.665 179.067 177.300 0.169 0.000 1.150 905 P CA 1.474 64.725 63.100 0.252 0.000 0.837 905 P CB 0.191 31.997 31.700 0.178 0.000 0.786 906 D N -0.144 120.324 120.400 0.112 0.000 2.117 906 D HA -0.197 4.443 4.640 0.000 0.000 0.197 906 D C 1.452 177.798 176.300 0.077 0.000 0.987 906 D CA 1.419 55.467 54.000 0.080 0.000 0.829 906 D CB -0.768 40.065 40.800 0.056 0.000 0.961 906 D HN 0.069 nan 8.370 nan 0.000 0.460 907 K N 0.717 121.166 120.400 0.081 0.000 2.057 907 K HA -0.034 4.286 4.320 0.000 0.000 0.207 907 K C 2.517 179.142 176.600 0.041 0.000 1.049 907 K CA 0.458 56.790 56.287 0.075 0.000 0.931 907 K CB -0.794 31.753 32.500 0.079 0.000 0.714 907 K HN 0.205 nan 8.250 nan 0.000 0.440 908 V N 2.107 122.024 119.914 0.005 0.000 2.295 908 V HA -0.226 3.894 4.120 0.000 0.000 0.246 908 V C 2.420 178.473 176.094 -0.068 0.000 1.049 908 V CA 1.557 63.777 62.300 -0.133 0.000 1.024 908 V CB -0.437 31.283 31.823 -0.171 0.000 0.648 908 V HN 0.188 nan 8.190 nan 0.000 0.447 909 I N -0.354 120.231 120.570 0.025 0.000 2.179 909 I HA -0.335 3.836 4.170 0.000 0.000 0.242 909 I C 2.666 178.801 176.117 0.031 0.000 1.088 909 I CA 2.015 63.340 61.300 0.042 0.000 1.357 909 I CB -0.491 37.550 38.000 0.069 0.000 1.051 909 I HN 0.399 nan 8.210 nan 0.000 0.409 910 Q N 0.996 120.824 119.800 0.047 0.000 2.030 910 Q HA -0.243 4.097 4.340 0.000 0.000 0.204 910 Q C 2.354 178.358 176.000 0.008 0.000 0.986 910 Q CA 2.294 58.136 55.803 0.066 0.000 0.843 910 Q CB -0.124 28.686 28.738 0.119 0.000 0.904 910 Q HN 0.542 nan 8.270 nan 0.000 0.420 911 A N 0.306 123.112 122.820 -0.024 0.000 1.845 911 A HA -0.236 4.084 4.320 0.000 0.000 0.215 911 A C 2.319 179.877 177.584 -0.042 0.000 1.195 911 A CA 2.463 54.373 52.037 -0.211 0.000 0.616 911 A CB -1.512 17.480 19.000 -0.012 0.000 0.832 911 A HN 0.698 nan 8.150 nan 0.000 0.443 912 T N -2.819 111.734 114.554 -0.003 0.000 2.720 912 T HA -0.178 4.173 4.350 0.000 0.000 0.268 912 T C 1.794 176.513 174.700 0.031 0.000 1.037 912 T CA 2.272 64.395 62.100 0.038 0.000 1.144 912 T CB -1.219 67.645 68.868 -0.005 0.000 0.864 912 T HN 0.357 nan 8.240 nan 0.000 0.444 913 T N 0.769 115.325 114.554 0.005 0.000 2.708 913 T HA -0.066 4.284 4.350 0.000 0.000 0.266 913 T C 1.455 176.130 174.700 -0.041 0.000 1.037 913 T CA 1.499 63.600 62.100 0.001 0.000 1.146 913 T CB -0.685 68.195 68.868 0.021 0.000 0.865 913 T HN 0.501 nan 8.240 nan 0.000 0.435 914 Y N 1.304 121.449 120.300 -0.258 0.000 2.030 914 Y HA -0.205 4.345 4.550 0.000 0.000 0.274 914 Y C 1.937 177.593 175.900 -0.406 0.000 1.153 914 Y CA 1.238 59.082 58.100 -0.427 0.000 1.115 914 Y CB -0.882 37.050 38.460 -0.880 0.000 0.969 914 Y HN 0.242 nan 8.280 nan 0.000 0.488 915 F N -0.391 119.431 119.950 -0.214 0.000 2.269 915 F HA -0.208 4.319 4.527 0.000 0.000 0.301 915 F C 2.296 178.000 175.800 -0.161 0.000 1.082 915 F CA 0.843 58.712 58.000 -0.218 0.000 1.360 915 F CB -0.494 38.437 39.000 -0.115 0.000 1.041 915 F HN 0.080 nan 8.300 nan 0.000 0.512 916 L N -0.341 120.899 121.223 0.028 0.000 2.265 916 L HA -0.234 4.106 4.340 0.000 0.000 0.215 916 L C 2.124 178.973 176.870 -0.035 0.000 1.117 916 L CA 1.182 56.032 54.840 0.016 0.000 0.782 916 L CB -0.514 41.555 42.059 0.016 0.000 0.914 916 L HN 0.240 nan 8.230 nan 0.000 0.441 917 Q N -0.310 119.418 119.800 -0.120 0.000 2.488 917 Q HA -0.028 4.312 4.340 0.000 0.000 0.211 917 Q C 0.070 175.989 176.000 -0.135 0.000 0.967 917 Q CA 0.659 56.374 55.803 -0.147 0.000 0.926 917 Q CB 0.262 28.861 28.738 -0.232 0.000 0.992 917 Q HN 0.423 nan 8.270 nan 0.000 0.506 918 K N 1.246 121.583 120.400 -0.107 0.000 2.156 918 K HA 0.376 4.696 4.320 0.000 0.000 0.250 918 K C -2.492 174.107 176.600 -0.001 0.000 0.955 918 K CA -2.081 54.173 56.287 -0.055 0.000 0.855 918 K CB 1.283 33.769 32.500 -0.023 0.000 1.101 918 K HN -0.128 nan 8.250 nan 0.000 0.434 919 P HA 0.072 nan 4.420 nan 0.000 0.276 919 P C -0.365 176.968 177.300 0.055 0.000 1.244 919 P CA -0.470 62.646 63.100 0.025 0.000 0.801 919 P CB 0.694 32.401 31.700 0.010 0.000 1.006 920 V N 3.518 123.486 119.914 0.090 0.000 2.521 920 V HA 0.058 4.178 4.120 0.000 0.000 0.286 920 V C -1.858 174.303 176.094 0.112 0.000 1.034 920 V CA -1.176 61.199 62.300 0.125 0.000 1.045 920 V CB -0.308 31.656 31.823 0.236 0.000 0.974 920 V HN 0.553 nan 8.190 nan 0.000 0.480 921 P HA 0.018 nan 4.420 nan 0.000 0.251 921 P C 0.942 178.271 177.300 0.048 0.000 1.154 921 P CA 1.514 64.633 63.100 0.032 0.000 0.805 921 P CB -0.067 31.628 31.700 -0.009 0.000 0.759 922 G N 2.136 110.965 108.800 0.049 0.000 2.225 922 G HA2 -0.274 3.686 3.960 0.000 0.000 0.267 922 G HA3 -0.274 3.686 3.960 0.000 0.000 0.267 922 G C -0.262 174.726 174.900 0.148 0.000 1.024 922 G CA -0.194 44.940 45.100 0.056 0.000 0.784 922 G HN 0.526 nan 8.290 nan 0.000 0.507 923 F N -0.225 119.708 119.950 -0.027 0.000 2.588 923 F HA 0.744 5.271 4.527 0.000 0.000 0.310 923 F C -0.265 175.534 175.800 -0.002 0.000 1.082 923 F CA -1.186 56.807 58.000 -0.013 0.000 0.929 923 F CB 1.610 40.606 39.000 -0.006 0.000 1.254 923 F HN 0.087 nan 8.300 nan 0.000 0.455 924 E N 0.000 119.547 120.200 -1.088 0.000 2.725 924 E HA 0.000 4.350 4.350 0.000 0.000 0.291 924 E CA 0.000 55.948 56.400 -0.754 0.000 0.976 924 E CB 0.000 29.469 29.700 -0.385 0.000 0.812 924 E HN 0.000 nan 8.360 nan 0.000 0.440