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 2xra_1_A DATA FIRST_RESID 543 DATA SEQUENCE QLLSGIVQQQ NNLLRAIEAQ QHLLQLTVWG IKQLQARILA GGXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX 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XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XGHTTWMEWD REINNYTSLI DATA SEQUENCE HSLIEESQNQ QEKNEQELLE GSXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE QLLSGIVQQQ NNLLRAIEAQ QHLLQLTVWG IKQLQARILA 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 543 Q HA 0.000 nan 4.340 nan 0.000 0.214 543 Q C 0.000 176.000 176.000 -0.001 0.000 1.003 543 Q CA 0.000 55.803 55.803 -0.000 0.000 1.022 543 Q CB 0.000 28.738 28.738 -0.000 0.000 1.108 544 L N 0.748 121.971 121.223 -0.001 0.000 2.095 544 L HA 0.044 4.387 4.340 0.004 0.000 0.204 544 L C 0.998 177.867 176.870 -0.001 0.000 1.080 544 L CA 1.173 56.012 54.840 -0.001 0.000 0.759 544 L CB 0.093 42.151 42.059 -0.001 0.000 0.914 544 L HN 0.630 nan 8.230 nan 0.000 0.439 545 L N -0.442 120.781 121.223 -0.001 0.000 2.046 545 L HA -0.206 4.136 4.340 0.004 0.000 0.208 545 L C 2.827 179.697 176.870 -0.001 0.000 1.077 545 L CA 1.953 56.792 54.840 -0.001 0.000 0.747 545 L CB -0.855 41.204 42.059 -0.000 0.000 0.896 545 L HN 0.342 nan 8.230 nan 0.000 0.432 546 S N -0.801 114.898 115.700 -0.001 0.000 2.399 546 S HA -0.128 4.344 4.470 0.004 0.000 0.231 546 S C 2.055 176.654 174.600 -0.001 0.000 1.022 546 S CA 1.202 59.402 58.200 -0.001 0.000 0.983 546 S CB -0.478 62.722 63.200 -0.001 0.000 0.803 546 S HN 0.548 nan 8.310 nan 0.000 0.480 547 G N 1.341 110.140 108.800 -0.001 0.000 2.421 547 G HA2 -0.042 3.921 3.960 0.004 0.000 0.217 547 G HA3 -0.042 3.921 3.960 0.004 0.000 0.217 547 G C 1.341 176.240 174.900 -0.002 0.000 1.143 547 G CA 0.602 45.701 45.100 -0.002 0.000 0.784 547 G HN 0.490 nan 8.290 nan 0.000 0.541 548 I N 0.898 121.467 120.570 -0.002 0.000 2.233 548 I HA -0.069 4.103 4.170 0.004 0.000 0.243 548 I C 2.905 179.021 176.117 -0.002 0.000 1.093 548 I CA 0.683 61.982 61.300 -0.002 0.000 1.380 548 I CB -1.065 36.934 38.000 -0.001 0.000 1.067 548 I HN 0.018 nan 8.210 nan 0.000 0.413 549 V N 0.653 120.566 119.914 -0.002 0.000 2.407 549 V HA -0.277 3.845 4.120 0.004 0.000 0.248 549 V C 2.575 178.667 176.094 -0.003 0.000 1.055 549 V CA 1.796 64.095 62.300 -0.002 0.000 1.049 549 V CB -0.685 31.137 31.823 -0.001 0.000 0.662 549 V HN 0.493 nan 8.190 nan 0.000 0.455 550 Q N -0.607 119.191 119.800 -0.003 0.000 2.230 550 Q HA -0.233 4.109 4.340 0.004 0.000 0.202 550 Q C 2.297 178.294 176.000 -0.005 0.000 0.963 550 Q CA 1.526 57.327 55.803 -0.003 0.000 0.866 550 Q CB 0.005 28.741 28.738 -0.003 0.000 0.931 550 Q HN 0.727 nan 8.270 nan 0.000 0.452 551 Q N -0.219 119.579 119.800 -0.004 0.000 2.137 551 Q HA -0.160 4.182 4.340 0.004 0.000 0.198 551 Q C 1.883 177.880 176.000 -0.006 0.000 0.960 551 Q CA 1.055 56.855 55.803 -0.005 0.000 0.847 551 Q CB 0.192 28.928 28.738 -0.004 0.000 0.915 551 Q HN 0.476 nan 8.270 nan 0.000 0.448 552 Q N 0.013 119.810 119.800 -0.005 0.000 2.170 552 Q HA -0.169 4.173 4.340 0.004 0.000 0.203 552 Q C 1.720 177.715 176.000 -0.008 0.000 0.976 552 Q CA 1.280 57.080 55.803 -0.006 0.000 0.858 552 Q CB -0.061 28.675 28.738 -0.004 0.000 0.907 552 Q HN 0.318 nan 8.270 nan 0.000 0.433 553 N N 0.868 119.563 118.700 -0.007 0.000 2.142 553 N HA -0.140 4.603 4.740 0.004 0.000 0.186 553 N C 1.344 176.847 175.510 -0.013 0.000 1.023 553 N CA 1.192 54.236 53.050 -0.009 0.000 0.852 553 N CB -0.031 38.452 38.487 -0.007 0.000 0.998 553 N HN 0.160 nan 8.380 nan 0.000 0.424 554 N N 0.380 119.073 118.700 -0.012 0.000 2.120 554 N HA -0.093 4.649 4.740 0.004 0.000 0.188 554 N C 1.724 177.222 175.510 -0.019 0.000 1.024 554 N CA 0.797 53.838 53.050 -0.015 0.000 0.852 554 N CB -0.443 38.037 38.487 -0.012 0.000 1.003 554 N HN 0.323 nan 8.380 nan 0.000 0.424 555 L N 0.254 121.467 121.223 -0.017 0.000 2.046 555 L HA -0.137 4.206 4.340 0.004 0.000 0.208 555 L C 2.286 179.142 176.870 -0.024 0.000 1.077 555 L CA 0.607 55.436 54.840 -0.019 0.000 0.747 555 L CB -0.504 41.547 42.059 -0.013 0.000 0.896 555 L HN 0.131 nan 8.230 nan 0.000 0.432 556 L N 0.086 121.296 121.223 -0.021 0.000 2.012 556 L HA -0.210 4.132 4.340 0.004 0.000 0.210 556 L C 2.702 179.548 176.870 -0.041 0.000 1.073 556 L CA 1.755 56.579 54.840 -0.025 0.000 0.748 556 L CB -0.498 41.550 42.059 -0.018 0.000 0.891 556 L HN 0.080 nan 8.230 nan 0.000 0.431 557 R N -0.597 119.879 120.500 -0.040 0.000 2.096 557 R HA -0.091 4.251 4.340 0.004 0.000 0.235 557 R C 2.265 178.523 176.300 -0.070 0.000 1.127 557 R CA 1.219 57.286 56.100 -0.054 0.000 0.968 557 R CB -0.613 29.665 30.300 -0.038 0.000 0.861 557 R HN 0.557 nan 8.270 nan 0.000 0.440 558 A N 1.060 123.847 122.820 -0.054 0.000 1.898 558 A HA -0.129 4.193 4.320 0.004 0.000 0.216 558 A C 2.119 179.662 177.584 -0.069 0.000 1.181 558 A CA 1.152 53.155 52.037 -0.056 0.000 0.620 558 A CB -0.407 18.568 19.000 -0.041 0.000 0.819 558 A HN 0.179 nan 8.150 nan 0.000 0.442 559 I N -0.315 120.218 120.570 -0.061 0.000 2.286 559 I HA -0.266 3.906 4.170 0.004 0.000 0.248 559 I C 2.490 178.550 176.117 -0.095 0.000 1.115 559 I CA 1.556 62.820 61.300 -0.060 0.000 1.392 559 I CB -0.353 37.625 38.000 -0.037 0.000 1.065 559 I HN 0.440 nan 8.210 nan 0.000 0.418 560 E N 0.834 120.954 120.200 -0.132 0.000 2.051 560 E HA -0.228 4.124 4.350 0.004 0.000 0.192 560 E C 2.349 178.684 176.600 -0.442 0.000 0.991 560 E CA 1.396 57.645 56.400 -0.252 0.000 0.799 560 E CB -0.246 29.314 29.700 -0.233 0.000 0.748 560 E HN 0.524 nan 8.360 nan 0.000 0.449 561 A N 1.171 123.808 122.820 -0.305 0.000 1.930 561 A HA -0.263 4.059 4.320 0.004 0.000 0.217 561 A C 2.135 179.647 177.584 -0.120 0.000 1.175 561 A CA 1.684 53.582 52.037 -0.231 0.000 0.627 561 A CB -0.503 18.436 19.000 -0.102 0.000 0.815 561 A HN 0.235 nan 8.150 nan 0.000 0.443 562 Q N -0.957 118.783 119.800 -0.101 0.000 2.124 562 Q HA -0.273 4.069 4.340 0.004 0.000 0.202 562 Q C 2.195 178.168 176.000 -0.045 0.000 0.977 562 Q CA 1.967 57.733 55.803 -0.061 0.000 0.850 562 Q CB -0.191 28.512 28.738 -0.058 0.000 0.901 562 Q HN 0.618 nan 8.270 nan 0.000 0.429 563 Q N -0.112 119.653 119.800 -0.059 0.000 2.084 563 Q HA -0.197 4.145 4.340 0.004 0.000 0.202 563 Q C 1.462 177.493 176.000 0.052 0.000 0.978 563 Q CA 2.221 58.022 55.803 -0.005 0.000 0.844 563 Q CB -0.321 28.428 28.738 0.019 0.000 0.898 563 Q HN 0.697 nan 8.270 nan 0.000 0.426 564 H N -1.069 117.964 119.070 -0.062 0.000 2.290 564 H HA -0.157 4.401 4.556 0.002 0.000 0.298 564 H C 1.844 177.079 175.328 -0.155 0.000 1.087 564 H CA 1.095 57.083 56.048 -0.100 0.000 1.291 564 H CB 0.006 29.739 29.762 -0.049 0.000 1.369 564 H HN 0.242 nan 8.280 nan 0.000 0.492 565 L N 0.836 122.084 121.223 0.041 0.000 2.083 565 L HA -0.136 4.207 4.340 0.004 0.000 0.209 565 L C 2.198 179.033 176.870 -0.059 0.000 1.083 565 L CA 1.095 55.925 54.840 -0.016 0.000 0.752 565 L CB -0.601 41.459 42.059 0.002 0.000 0.899 565 L HN 0.192 nan 8.230 nan 0.000 0.433 566 L N -0.587 120.603 121.223 -0.054 0.000 2.046 566 L HA -0.214 4.128 4.340 0.004 0.000 0.208 566 L C 2.530 179.320 176.870 -0.133 0.000 1.077 566 L CA 1.969 56.776 54.840 -0.055 0.000 0.747 566 L CB -0.885 41.153 42.059 -0.034 0.000 0.896 566 L HN 0.463 nan 8.230 nan 0.000 0.432 567 Q N -0.935 118.716 119.800 -0.248 0.000 2.079 567 Q HA -0.194 4.149 4.340 0.004 0.000 0.200 567 Q C 2.109 177.550 176.000 -0.932 0.000 0.974 567 Q CA 1.814 57.296 55.803 -0.534 0.000 0.840 567 Q CB -0.604 27.782 28.738 -0.586 0.000 0.898 567 Q HN 0.449 nan 8.270 nan 0.000 0.430 568 L N 0.300 121.088 121.223 -0.726 0.000 2.042 568 L HA -0.187 4.155 4.340 0.004 0.000 0.210 568 L C 2.314 179.135 176.870 -0.081 0.000 1.076 568 L CA 2.625 57.227 54.840 -0.396 0.000 0.749 568 L CB -1.308 40.669 42.059 -0.138 0.000 0.893 568 L HN 0.587 nan 8.230 nan 0.000 0.432 569 T N -4.576 109.951 114.554 -0.044 0.000 2.788 569 T HA -0.166 4.186 4.350 0.004 0.000 0.268 569 T C 1.907 176.706 174.700 0.165 0.000 1.044 569 T CA 1.462 63.613 62.100 0.086 0.000 1.139 569 T CB -1.118 67.815 68.868 0.108 0.000 0.867 569 T HN 0.135 nan 8.240 nan 0.000 0.454 570 V N -0.037 119.940 119.914 0.105 0.000 2.332 570 V HA -0.142 3.981 4.120 0.004 0.000 0.248 570 V C 2.615 178.942 176.094 0.389 0.000 1.055 570 V CA 1.572 64.023 62.300 0.251 0.000 1.038 570 V CB -0.951 30.933 31.823 0.102 0.000 0.651 570 V HN 0.573 nan 8.190 nan 0.000 0.450 571 W N 0.730 122.136 121.300 0.176 0.000 2.363 571 W HA 0.016 4.677 4.660 0.001 0.000 0.296 571 W C 2.533 179.124 176.519 0.119 0.000 1.212 571 W CA 1.060 58.486 57.345 0.135 0.000 1.260 571 W CB -1.663 27.852 29.460 0.093 0.000 1.131 571 W HN 0.347 nan 8.180 nan 0.000 0.530 572 G N 0.586 109.585 108.800 0.332 0.000 2.404 572 G HA2 -0.217 3.745 3.960 0.004 0.000 0.215 572 G HA3 -0.217 3.745 3.960 0.004 0.000 0.215 572 G C 1.606 176.616 174.900 0.183 0.000 1.174 572 G CA 1.138 46.366 45.100 0.213 0.000 0.780 572 G HN 0.190 nan 8.290 nan 0.000 0.537 573 I N 0.380 121.093 120.570 0.240 0.000 2.226 573 I HA -0.138 4.034 4.170 0.004 0.000 0.245 573 I C 2.795 178.997 176.117 0.141 0.000 1.100 573 I CA 1.188 62.620 61.300 0.220 0.000 1.374 573 I CB -0.096 38.124 38.000 0.366 0.000 1.057 573 I HN 0.095 nan 8.210 nan 0.000 0.413 574 K N 0.181 120.737 120.400 0.261 0.000 2.097 574 K HA -0.242 4.080 4.320 0.004 0.000 0.206 574 K C 2.176 178.798 176.600 0.036 0.000 1.049 574 K CA 1.283 57.677 56.287 0.179 0.000 0.933 574 K CB -0.181 32.506 32.500 0.311 0.000 0.717 574 K HN 0.329 nan 8.250 nan 0.000 0.442 575 Q N 0.885 120.726 119.800 0.067 0.000 2.084 575 Q HA -0.140 4.202 4.340 0.004 0.000 0.202 575 Q C 1.990 177.961 176.000 -0.048 0.000 0.978 575 Q CA 1.243 57.052 55.803 0.011 0.000 0.844 575 Q CB 0.042 28.802 28.738 0.036 0.000 0.898 575 Q HN 0.295 nan 8.270 nan 0.000 0.426 576 L N 0.346 121.537 121.223 -0.053 0.000 2.156 576 L HA -0.177 4.166 4.340 0.004 0.000 0.208 576 L C 2.607 179.362 176.870 -0.192 0.000 1.095 576 L CA 1.096 55.878 54.840 -0.097 0.000 0.770 576 L CB -0.385 41.633 42.059 -0.068 0.000 0.914 576 L HN 0.301 nan 8.230 nan 0.000 0.439 577 Q N 0.890 120.510 119.800 -0.300 0.000 2.079 577 Q HA -0.146 4.197 4.340 0.004 0.000 0.200 577 Q C 2.185 177.945 176.000 -0.400 0.000 0.974 577 Q CA 2.079 57.545 55.803 -0.562 0.000 0.840 577 Q CB -0.265 27.847 28.738 -1.044 0.000 0.898 577 Q HN 0.360 nan 8.270 nan 0.000 0.430 578 A N 0.425 123.094 122.820 -0.251 0.000 1.972 578 A HA -0.128 4.194 4.320 0.004 0.000 0.219 578 A C 2.125 179.629 177.584 -0.135 0.000 1.169 578 A CA 1.439 53.378 52.037 -0.164 0.000 0.635 578 A CB -0.405 18.539 19.000 -0.093 0.000 0.810 578 A HN 0.428 nan 8.150 nan 0.000 0.446 579 R N -0.578 119.846 120.500 -0.127 0.000 2.119 579 R HA -0.024 4.318 4.340 0.004 0.000 0.222 579 R C 1.939 178.173 176.300 -0.109 0.000 1.088 579 R CA 1.390 57.430 56.100 -0.100 0.000 0.984 579 R CB -0.448 29.803 30.300 -0.082 0.000 0.884 579 R HN 0.755 nan 8.270 nan 0.000 0.447 580 I N -1.713 118.771 120.570 -0.144 0.000 2.761 580 I HA -0.042 4.130 4.170 0.004 0.000 0.261 580 I C 1.664 177.702 176.117 -0.133 0.000 1.198 580 I CA 1.158 62.376 61.300 -0.137 0.000 1.482 580 I CB -0.187 37.721 38.000 -0.154 0.000 1.100 580 I HN -0.056 nan 8.210 nan 0.000 0.445 581 L N 1.237 122.365 121.223 -0.158 0.000 2.072 581 L HA 0.264 4.607 4.340 0.004 0.000 0.205 581 L C 1.525 178.344 176.870 -0.085 0.000 1.079 581 L CA 1.500 56.260 54.840 -0.134 0.000 0.752 581 L CB -0.570 41.393 42.059 -0.160 0.000 0.906 581 L HN 0.412 nan 8.230 nan 0.000 0.436 582 A N -1.091 121.682 122.820 -0.079 0.000 2.664 582 A HA 0.717 5.039 4.320 0.004 0.000 0.338 582 A C 0.045 177.597 177.584 -0.053 0.000 1.280 582 A CA 0.186 52.189 52.037 -0.056 0.000 0.809 582 A CB -0.223 18.748 19.000 -0.048 0.000 1.114 582 A HN 0.311 nan 8.150 nan 0.000 0.479 583 G N -0.495 108.274 108.800 -0.050 0.000 2.663 583 G HA2 0.896 4.858 3.960 0.004 0.000 0.299 583 G HA3 0.896 4.858 3.960 0.004 0.000 0.299 583 G C -0.313 174.558 174.900 -0.048 0.000 1.372 583 G CA -0.046 45.025 45.100 -0.049 0.000 0.781 583 G HN 1.785 nan 8.290 nan 0.000 0.491 1627 T N -2.122 112.588 114.554 0.260 0.000 3.122 1627 T HA 0.156 4.508 4.350 0.004 0.000 0.250 1627 T C 0.855 175.689 174.700 0.223 0.000 1.067 1627 T CA -0.246 61.969 62.100 0.192 0.000 0.966 1627 T CB -0.576 68.373 68.868 0.135 0.000 1.002 1627 T HN 0.669 nan 8.240 nan 0.000 0.542 1628 W N 0.799 122.239 121.300 0.234 0.000 2.468 1628 W HA 0.204 4.866 4.660 0.003 0.000 0.262 1628 W C 2.089 178.799 176.519 0.318 0.000 1.241 1628 W CA 0.059 57.576 57.345 0.288 0.000 1.232 1628 W CB -0.300 29.261 29.460 0.168 0.000 1.124 1628 W HN 0.264 nan 8.180 nan 0.000 0.597 1629 M N 0.262 120.100 119.600 0.398 0.000 2.175 1629 M HA -0.162 4.320 4.480 0.004 0.000 0.264 1629 M C 1.671 178.093 176.300 0.203 0.000 1.063 1629 M CA 1.902 57.365 55.300 0.272 0.000 1.119 1629 M CB -0.296 32.415 32.600 0.185 0.000 1.377 1629 M HN -0.041 nan 8.290 nan 0.000 0.415 1630 E N -2.052 118.240 120.200 0.154 0.000 2.230 1630 E HA -0.178 4.174 4.350 0.004 0.000 0.192 1630 E C 1.605 178.234 176.600 0.047 0.000 0.987 1630 E CA 0.836 57.273 56.400 0.062 0.000 0.841 1630 E CB -0.282 29.421 29.700 0.005 0.000 0.783 1630 E HN 0.694 nan 8.360 nan 0.000 0.481 1631 W N 2.313 123.541 121.300 -0.119 0.000 2.354 1631 W HA -0.196 4.468 4.660 0.006 0.000 0.315 1631 W C 1.634 178.167 176.519 0.024 0.000 1.206 1631 W CA 1.949 59.200 57.345 -0.156 0.000 1.290 1631 W CB -0.249 29.083 29.460 -0.214 0.000 1.152 1631 W HN -0.026 nan 8.180 nan 0.000 0.489 1632 D N -0.473 120.113 120.400 0.309 0.000 2.123 1632 D HA -0.256 4.387 4.640 0.004 0.000 0.196 1632 D C 2.322 178.600 176.300 -0.037 0.000 0.992 1632 D CA 1.913 55.992 54.000 0.133 0.000 0.833 1632 D CB -0.274 40.722 40.800 0.327 0.000 0.954 1632 D HN 0.096 nan 8.370 nan 0.000 0.455 1633 R N 0.189 120.689 120.500 -0.000 0.000 2.081 1633 R HA -0.166 4.176 4.340 0.004 0.000 0.235 1633 R C 1.993 178.230 176.300 -0.106 0.000 1.131 1633 R CA 1.482 57.557 56.100 -0.042 0.000 0.960 1633 R CB -0.095 30.194 30.300 -0.019 0.000 0.856 1633 R HN 0.058 nan 8.270 nan 0.000 0.436 1634 E N 0.378 120.501 120.200 -0.129 0.000 2.106 1634 E HA -0.113 4.240 4.350 0.004 0.000 0.192 1634 E C 1.840 178.377 176.600 -0.104 0.000 0.984 1634 E CA 0.998 57.330 56.400 -0.112 0.000 0.806 1634 E CB -0.011 29.633 29.700 -0.094 0.000 0.750 1634 E HN 0.283 nan 8.360 nan 0.000 0.458 1635 I N 1.277 121.668 120.570 -0.299 0.000 2.163 1635 I HA -0.273 3.900 4.170 0.004 0.000 0.243 1635 I C 1.732 177.752 176.117 -0.162 0.000 1.085 1635 I CA 1.227 62.334 61.300 -0.322 0.000 1.347 1635 I CB -1.137 36.489 38.000 -0.623 0.000 1.044 1635 I HN 0.218 nan 8.210 nan 0.000 0.408 1636 N N 1.303 119.914 118.700 -0.148 0.000 2.166 1636 N HA -0.166 4.576 4.740 0.004 0.000 0.186 1636 N C 1.556 176.982 175.510 -0.140 0.000 1.019 1636 N CA 1.279 54.264 53.050 -0.109 0.000 0.856 1636 N CB -0.644 37.801 38.487 -0.069 0.000 0.993 1636 N HN 0.510 nan 8.380 nan 0.000 0.426 1637 N N -0.467 118.121 118.700 -0.186 0.000 2.069 1637 N HA -0.152 4.590 4.740 0.004 0.000 0.191 1637 N C 1.219 176.519 175.510 -0.349 0.000 1.031 1637 N CA 1.032 53.901 53.050 -0.302 0.000 0.852 1637 N CB -0.174 38.049 38.487 -0.441 0.000 1.018 1637 N HN 0.278 nan 8.380 nan 0.000 0.423 1638 Y N 0.812 121.020 120.300 -0.154 0.000 2.365 1638 Y HA 0.005 4.558 4.550 0.005 0.000 0.293 1638 Y C 2.624 178.423 175.900 -0.168 0.000 1.119 1638 Y CA 0.752 58.770 58.100 -0.138 0.000 1.203 1638 Y CB -0.456 37.938 38.460 -0.111 0.000 1.026 1638 Y HN 0.025 nan 8.280 nan 0.000 0.549 1639 T N -1.330 113.168 114.554 -0.094 0.000 2.821 1639 T HA -0.213 4.139 4.350 0.004 0.000 0.267 1639 T C 2.205 176.595 174.700 -0.516 0.000 1.046 1639 T CA 1.588 63.514 62.100 -0.289 0.000 1.139 1639 T CB -0.465 68.254 68.868 -0.249 0.000 0.871 1639 T HN 0.309 nan 8.240 nan 0.000 0.454 1640 S N 0.823 116.348 115.700 -0.292 0.000 2.368 1640 S HA -0.063 4.409 4.470 0.004 0.000 0.225 1640 S C 1.992 176.526 174.600 -0.110 0.000 1.030 1640 S CA 0.783 58.870 58.200 -0.189 0.000 0.999 1640 S CB -0.436 62.697 63.200 -0.112 0.000 0.844 1640 S HN 0.310 nan 8.310 nan 0.000 0.459 1641 L N 1.369 122.529 121.223 -0.105 0.000 2.017 1641 L HA 0.092 4.434 4.340 0.004 0.000 0.208 1641 L C 2.092 178.968 176.870 0.009 0.000 1.073 1641 L CA 1.720 56.535 54.840 -0.042 0.000 0.745 1641 L CB -0.886 41.148 42.059 -0.042 0.000 0.894 1641 L HN 0.453 nan 8.230 nan 0.000 0.432 1642 I N -0.811 119.760 120.570 0.002 0.000 2.361 1642 I HA -0.284 3.888 4.170 0.004 0.000 0.251 1642 I C 2.359 178.557 176.117 0.134 0.000 1.133 1642 I CA 1.634 62.966 61.300 0.053 0.000 1.413 1642 I CB -0.522 37.505 38.000 0.046 0.000 1.073 1642 I HN 0.445 nan 8.210 nan 0.000 0.424 1643 H N -0.825 118.261 119.070 0.027 0.000 2.353 1643 H HA -0.109 4.449 4.556 0.002 0.000 0.300 1643 H C 2.342 177.682 175.328 0.019 0.000 1.090 1643 H CA 1.182 57.246 56.048 0.026 0.000 1.327 1643 H CB -0.016 29.764 29.762 0.030 0.000 1.383 1643 H HN 0.319 nan 8.280 nan 0.000 0.508 1644 S N 0.636 116.420 115.700 0.139 0.000 2.368 1644 S HA -0.105 4.367 4.470 0.004 0.000 0.225 1644 S C 2.228 176.861 174.600 0.055 0.000 1.030 1644 S CA 0.820 59.064 58.200 0.074 0.000 0.999 1644 S CB -0.140 63.085 63.200 0.041 0.000 0.844 1644 S HN 0.246 nan 8.310 nan 0.000 0.459 1645 L N 0.755 122.012 121.223 0.056 0.000 2.109 1645 L HA -0.003 4.339 4.340 0.004 0.000 0.207 1645 L C 2.201 179.094 176.870 0.040 0.000 1.086 1645 L CA 0.879 55.744 54.840 0.042 0.000 0.760 1645 L CB -0.519 41.566 42.059 0.043 0.000 0.910 1645 L HN 0.266 nan 8.230 nan 0.000 0.437 1646 I N -0.213 120.389 120.570 0.052 0.000 2.127 1646 I HA -0.321 3.852 4.170 0.004 0.000 0.241 1646 I C 2.715 178.847 176.117 0.025 0.000 1.075 1646 I CA 1.490 62.811 61.300 0.036 0.000 1.334 1646 I CB -0.271 37.756 38.000 0.045 0.000 1.040 1646 I HN 0.339 nan 8.210 nan 0.000 0.405 1647 E N 0.712 120.931 120.200 0.032 0.000 2.077 1647 E HA -0.304 4.048 4.350 0.004 0.000 0.193 1647 E C 2.098 178.708 176.600 0.017 0.000 0.989 1647 E CA 1.495 57.907 56.400 0.021 0.000 0.800 1647 E CB -0.030 29.684 29.700 0.024 0.000 0.746 1647 E HN 0.450 nan 8.360 nan 0.000 0.452 1648 E N -0.148 120.065 120.200 0.021 0.000 2.118 1648 E HA -0.165 4.188 4.350 0.004 0.000 0.195 1648 E C 2.019 178.627 176.600 0.012 0.000 0.992 1648 E CA 1.400 57.810 56.400 0.016 0.000 0.804 1648 E CB 0.082 29.792 29.700 0.018 0.000 0.741 1648 E HN 0.084 nan 8.360 nan 0.000 0.458 1649 S N 0.414 116.121 115.700 0.012 0.000 2.371 1649 S HA -0.149 4.323 4.470 0.004 0.000 0.224 1649 S C 1.865 176.467 174.600 0.004 0.000 1.029 1649 S CA 0.942 59.146 58.200 0.008 0.000 0.978 1649 S CB -0.158 63.045 63.200 0.006 0.000 0.833 1649 S HN 0.311 nan 8.310 nan 0.000 0.466 1650 Q N 1.152 120.955 119.800 0.004 0.000 2.096 1650 Q HA -0.096 4.246 4.340 0.004 0.000 0.204 1650 Q C 1.776 177.778 176.000 0.003 0.000 0.982 1650 Q CA 1.228 57.032 55.803 0.002 0.000 0.850 1650 Q CB -0.185 28.554 28.738 0.002 0.000 0.901 1650 Q HN 0.421 nan 8.270 nan 0.000 0.422 1651 N N 0.183 118.886 118.700 0.005 0.000 2.171 1651 N HA -0.158 4.584 4.740 0.004 0.000 0.184 1651 N C 1.681 177.193 175.510 0.004 0.000 1.021 1651 N CA 1.001 54.054 53.050 0.005 0.000 0.854 1651 N CB -0.221 38.270 38.487 0.006 0.000 0.994 1651 N HN 0.152 nan 8.380 nan 0.000 0.426 1652 Q N 1.088 120.891 119.800 0.004 0.000 2.124 1652 Q HA -0.127 4.215 4.340 0.004 0.000 0.202 1652 Q C 1.935 177.936 176.000 0.002 0.000 0.977 1652 Q CA 1.427 57.232 55.803 0.004 0.000 0.850 1652 Q CB -0.282 28.459 28.738 0.004 0.000 0.901 1652 Q HN 0.224 nan 8.270 nan 0.000 0.429 1653 Q N 0.434 120.235 119.800 0.001 0.000 2.084 1653 Q HA -0.168 4.174 4.340 0.004 0.000 0.202 1653 Q C 1.610 177.610 176.000 0.000 0.000 0.978 1653 Q CA 2.144 57.947 55.803 0.000 0.000 0.844 1653 Q CB -0.061 28.676 28.738 -0.001 0.000 0.898 1653 Q HN 0.572 nan 8.270 nan 0.000 0.426 1654 E N -0.278 119.922 120.200 0.001 0.000 2.072 1654 E HA -0.165 4.187 4.350 0.004 0.000 0.191 1654 E C 1.976 178.577 176.600 0.002 0.000 0.985 1654 E CA 1.102 57.503 56.400 0.001 0.000 0.801 1654 E CB -0.025 29.676 29.700 0.002 0.000 0.750 1654 E HN 0.277 nan 8.360 nan 0.000 0.452 1655 K N 0.678 121.079 120.400 0.002 0.000 2.009 1655 K HA -0.138 4.184 4.320 0.004 0.000 0.210 1655 K C 1.969 178.570 176.600 0.001 0.000 1.049 1655 K CA 1.429 57.717 56.287 0.002 0.000 0.929 1655 K CB -0.140 32.361 32.500 0.002 0.000 0.714 1655 K HN 0.021 nan 8.250 nan 0.000 0.440 1656 N N 1.245 119.946 118.700 0.001 0.000 2.094 1656 N HA -0.188 4.554 4.740 0.004 0.000 0.191 1656 N C 1.523 177.033 175.510 0.001 0.000 1.023 1656 N CA 1.369 54.420 53.050 0.001 0.000 0.857 1656 N CB -0.226 38.261 38.487 0.001 0.000 1.013 1656 N HN 0.317 nan 8.380 nan 0.000 0.426 1657 E N -0.175 120.025 120.200 0.000 0.000 2.204 1657 E HA -0.176 4.176 4.350 0.004 0.000 0.194 1657 E C 1.767 178.368 176.600 0.001 0.000 0.989 1657 E CA 0.608 57.008 56.400 0.000 0.000 0.824 1657 E CB 0.088 29.788 29.700 0.000 0.000 0.756 1657 E HN 0.270 nan 8.360 nan 0.000 0.477 1658 Q N 0.869 120.670 119.800 0.001 0.000 2.033 1658 Q HA -0.131 4.211 4.340 0.004 0.000 0.196 1658 Q C 1.872 177.872 176.000 0.001 0.000 0.970 1658 Q CA 1.242 57.045 55.803 0.001 0.000 0.828 1658 Q CB 0.060 28.799 28.738 0.001 0.000 0.895 1658 Q HN 0.065 nan 8.270 nan 0.000 0.440 1659 E N 0.134 120.334 120.200 0.001 0.000 2.097 1659 E HA -0.206 4.146 4.350 0.004 0.000 0.196 1659 E C 1.963 178.563 176.600 0.001 0.000 1.000 1659 E CA 1.306 57.706 56.400 0.001 0.000 0.804 1659 E CB -0.317 29.384 29.700 0.001 0.000 0.740 1659 E HN 0.350 nan 8.360 nan 0.000 0.454 1660 L N 0.495 121.718 121.223 0.001 0.000 2.141 1660 L HA -0.111 4.231 4.340 0.004 0.000 0.209 1660 L C 2.246 179.117 176.870 0.000 0.000 1.094 1660 L CA 1.041 55.882 54.840 0.000 0.000 0.763 1660 L CB -0.240 41.819 42.059 0.000 0.000 0.908 1660 L HN 0.067 nan 8.230 nan 0.000 0.437 1661 L N -0.673 120.550 121.223 0.001 0.000 2.313 1661 L HA -0.044 4.298 4.340 0.004 0.000 0.214 1661 L C 2.068 178.938 176.870 0.001 0.000 1.119 1661 L CA 1.429 56.270 54.840 0.001 0.000 0.809 1661 L CB -0.432 41.627 42.059 0.001 0.000 0.933 1661 L HN 0.353 nan 8.230 nan 0.000 0.449 1662 E N -0.852 119.348 120.200 0.001 0.000 2.479 1662 E HA 0.241 4.593 4.350 0.004 0.000 0.193 1662 E C 0.914 177.514 176.600 0.001 0.000 1.049 1662 E CA 0.522 56.922 56.400 0.001 0.000 0.870 1662 E CB 0.177 29.877 29.700 0.001 0.000 0.944 1662 E HN 0.487 nan 8.360 nan 0.000 0.492 1663 G N 1.990 110.790 108.800 0.001 0.000 2.155 1663 G HA2 -0.246 3.716 3.960 0.004 0.000 0.135 1663 G HA3 -0.246 3.716 3.960 0.004 0.000 0.135 1663 G C 0.119 175.019 174.900 0.000 0.000 1.023 1663 G CA 0.019 45.119 45.100 0.000 0.000 0.688 1663 G HN 0.578 nan 8.290 nan 0.000 0.499 2542 G N -0.872 107.928 108.800 0.001 0.000 2.732 2542 G HA2 0.159 4.121 3.960 0.004 0.000 0.206 2542 G HA3 0.159 4.121 3.960 0.004 0.000 0.206 2542 G C 1.067 175.967 174.900 0.001 0.000 1.253 2542 G CA 0.520 45.620 45.100 0.001 0.000 0.796 2542 G HN 0.571 nan 8.290 nan 0.000 0.616 2543 Q N -0.231 119.570 119.800 0.001 0.000 2.389 2543 Q HA 0.157 4.499 4.340 0.004 0.000 0.204 2543 Q C 2.263 178.264 176.000 0.001 0.000 0.944 2543 Q CA 0.155 55.958 55.803 0.001 0.000 0.908 2543 Q CB 0.130 28.869 28.738 0.001 0.000 1.002 2543 Q HN 0.329 nan 8.270 nan 0.000 0.493 2544 L N 0.436 121.659 121.223 0.001 0.000 2.072 2544 L HA -0.117 4.225 4.340 0.004 0.000 0.205 2544 L C 1.861 178.732 176.870 0.001 0.000 1.079 2544 L CA 1.378 56.218 54.840 0.001 0.000 0.752 2544 L CB -0.532 41.527 42.059 0.001 0.000 0.906 2544 L HN 0.168 nan 8.230 nan 0.000 0.436 2545 L N -0.528 120.695 121.223 0.001 0.000 2.046 2545 L HA -0.170 4.172 4.340 0.004 0.000 0.208 2545 L C 2.811 179.682 176.870 0.001 0.000 1.077 2545 L CA 2.105 56.945 54.840 0.001 0.000 0.747 2545 L CB -0.955 41.104 42.059 0.001 0.000 0.896 2545 L HN 0.577 nan 8.230 nan 0.000 0.432 2546 S N -1.725 113.976 115.700 0.001 0.000 2.402 2546 S HA -0.062 4.410 4.470 0.004 0.000 0.229 2546 S C 2.067 176.668 174.600 0.002 0.000 1.021 2546 S CA 0.722 58.923 58.200 0.002 0.000 0.974 2546 S CB -1.229 61.972 63.200 0.002 0.000 0.800 2546 S HN 0.417 nan 8.310 nan 0.000 0.484 2547 G N 1.470 110.271 108.800 0.002 0.000 2.448 2547 G HA2 0.058 4.020 3.960 0.004 0.000 0.218 2547 G HA3 0.058 4.020 3.960 0.004 0.000 0.218 2547 G C 1.350 176.251 174.900 0.002 0.000 1.135 2547 G CA 0.610 45.711 45.100 0.002 0.000 0.784 2547 G HN 0.552 nan 8.290 nan 0.000 0.543 2548 I N 0.314 120.885 120.570 0.001 0.000 2.286 2548 I HA -0.102 4.071 4.170 0.004 0.000 0.245 2548 I C 2.671 178.789 176.117 0.002 0.000 1.104 2548 I CA 0.350 61.651 61.300 0.001 0.000 1.397 2548 I CB -0.008 37.992 38.000 0.001 0.000 1.072 2548 I HN 0.006 nan 8.210 nan 0.000 0.417 2549 V N 0.391 120.307 119.914 0.002 0.000 2.427 2549 V HA -0.285 3.837 4.120 0.004 0.000 0.248 2549 V C 2.415 178.511 176.094 0.004 0.000 1.051 2549 V CA 1.825 64.127 62.300 0.003 0.000 1.048 2549 V CB -0.644 31.181 31.823 0.003 0.000 0.666 2549 V HN 0.426 nan 8.190 nan 0.000 0.456 2550 Q N 0.522 120.325 119.800 0.004 0.000 2.084 2550 Q HA -0.248 4.094 4.340 0.004 0.000 0.202 2550 Q C 2.167 178.170 176.000 0.005 0.000 0.978 2550 Q CA 2.093 57.899 55.803 0.005 0.000 0.844 2550 Q CB -0.464 28.277 28.738 0.004 0.000 0.898 2550 Q HN 0.637 nan 8.270 nan 0.000 0.426 2551 Q N -0.170 119.633 119.800 0.004 0.000 2.167 2551 Q HA -0.121 4.222 4.340 0.004 0.000 0.202 2551 Q C 1.847 177.849 176.000 0.003 0.000 0.970 2551 Q CA 1.746 57.551 55.803 0.004 0.000 0.855 2551 Q CB -0.003 28.736 28.738 0.002 0.000 0.911 2551 Q HN 0.580 nan 8.270 nan 0.000 0.438 2552 Q N -0.534 119.268 119.800 0.003 0.000 2.172 2552 Q HA -0.102 4.240 4.340 0.004 0.000 0.200 2552 Q C 1.839 177.843 176.000 0.006 0.000 0.964 2552 Q CA 0.978 56.783 55.803 0.003 0.000 0.855 2552 Q CB -0.170 28.570 28.738 0.003 0.000 0.918 2552 Q HN 0.460 nan 8.270 nan 0.000 0.444 2553 N N 1.045 119.749 118.700 0.007 0.000 2.084 2553 N HA -0.158 4.584 4.740 0.004 0.000 0.190 2553 N C 1.324 176.842 175.510 0.013 0.000 1.030 2553 N CA 1.146 54.202 53.050 0.010 0.000 0.849 2553 N CB 0.044 38.537 38.487 0.010 0.000 1.012 2553 N HN 0.221 nan 8.380 nan 0.000 0.423 2554 N N 0.983 119.690 118.700 0.011 0.000 2.058 2554 N HA -0.121 4.621 4.740 0.004 0.000 0.191 2554 N C 1.790 177.308 175.510 0.013 0.000 1.037 2554 N CA 0.700 53.758 53.050 0.013 0.000 0.848 2554 N CB -0.692 37.801 38.487 0.011 0.000 1.021 2554 N HN 0.172 nan 8.380 nan 0.000 0.422 2555 L N 0.771 121.999 121.223 0.008 0.000 2.042 2555 L HA -0.093 4.249 4.340 0.004 0.000 0.210 2555 L C 2.226 179.100 176.870 0.007 0.000 1.076 2555 L CA 0.972 55.816 54.840 0.005 0.000 0.749 2555 L CB -1.252 40.807 42.059 0.000 0.000 0.893 2555 L HN 0.178 nan 8.230 nan 0.000 0.432 2556 L N -0.407 120.821 121.223 0.009 0.000 2.012 2556 L HA -0.200 4.142 4.340 0.004 0.000 0.210 2556 L C 2.680 179.562 176.870 0.020 0.000 1.073 2556 L CA 1.729 56.575 54.840 0.011 0.000 0.748 2556 L CB -0.573 41.493 42.059 0.012 0.000 0.891 2556 L HN 0.191 nan 8.230 nan 0.000 0.431 2557 R N -0.724 119.792 120.500 0.027 0.000 2.120 2557 R HA -0.068 4.274 4.340 0.004 0.000 0.234 2557 R C 2.171 178.500 176.300 0.047 0.000 1.123 2557 R CA 1.116 57.242 56.100 0.042 0.000 0.975 2557 R CB -0.520 29.804 30.300 0.040 0.000 0.866 2557 R HN 0.539 nan 8.270 nan 0.000 0.446 2558 A N 0.990 123.829 122.820 0.032 0.000 1.929 2558 A HA -0.073 4.250 4.320 0.004 0.000 0.216 2558 A C 2.080 179.676 177.584 0.020 0.000 1.176 2558 A CA 0.893 52.949 52.037 0.032 0.000 0.628 2558 A CB -0.273 18.740 19.000 0.021 0.000 0.816 2558 A HN 0.144 nan 8.150 nan 0.000 0.444 2559 I N -0.407 120.167 120.570 0.007 0.000 2.252 2559 I HA -0.251 3.921 4.170 0.004 0.000 0.245 2559 I C 2.477 178.581 176.117 -0.022 0.000 1.102 2559 I CA 1.505 62.797 61.300 -0.013 0.000 1.385 2559 I CB -0.349 37.640 38.000 -0.018 0.000 1.064 2559 I HN 0.407 nan 8.210 nan 0.000 0.414 2560 E N 0.795 120.998 120.200 0.005 0.000 2.085 2560 E HA -0.243 4.109 4.350 0.004 0.000 0.194 2560 E C 2.326 178.971 176.600 0.076 0.000 0.994 2560 E CA 1.400 57.811 56.400 0.020 0.000 0.801 2560 E CB -0.194 29.555 29.700 0.081 0.000 0.743 2560 E HN 0.529 nan 8.360 nan 0.000 0.453 2561 A N 0.999 123.889 122.820 0.118 0.000 1.898 2561 A HA -0.237 4.085 4.320 0.004 0.000 0.216 2561 A C 2.040 179.648 177.584 0.041 0.000 1.181 2561 A CA 1.319 53.456 52.037 0.166 0.000 0.620 2561 A CB -0.411 18.694 19.000 0.175 0.000 0.819 2561 A HN 0.171 nan 8.150 nan 0.000 0.442 2562 Q N -1.328 118.475 119.800 0.004 0.000 2.124 2562 Q HA -0.251 4.091 4.340 0.004 0.000 0.202 2562 Q C 2.300 178.250 176.000 -0.084 0.000 0.977 2562 Q CA 1.645 57.428 55.803 -0.033 0.000 0.850 2562 Q CB -0.137 28.584 28.738 -0.027 0.000 0.901 2562 Q HN 0.712 nan 8.270 nan 0.000 0.429 2563 Q N -0.130 119.593 119.800 -0.128 0.000 2.124 2563 Q HA -0.184 4.159 4.340 0.004 0.000 0.202 2563 Q C 1.668 177.500 176.000 -0.279 0.000 0.977 2563 Q CA 1.582 57.256 55.803 -0.215 0.000 0.850 2563 Q CB -0.092 28.475 28.738 -0.284 0.000 0.901 2563 Q HN 0.485 nan 8.270 nan 0.000 0.429 2564 H N -0.514 118.383 119.070 -0.289 0.000 2.357 2564 H HA -0.055 4.503 4.556 0.004 0.000 0.301 2564 H C 2.033 177.113 175.328 -0.412 0.000 1.082 2564 H CA 1.495 57.242 56.048 -0.501 0.000 1.342 2564 H CB -0.071 28.989 29.762 -1.170 0.000 1.389 2564 H HN 0.265 nan 8.280 nan 0.000 0.511 2565 L N 0.277 121.383 121.223 -0.194 0.000 2.042 2565 L HA -0.200 4.142 4.340 0.004 0.000 0.210 2565 L C 2.619 179.476 176.870 -0.021 0.000 1.076 2565 L CA 0.761 55.545 54.840 -0.094 0.000 0.749 2565 L CB -0.335 41.694 42.059 -0.050 0.000 0.893 2565 L HN 0.160 nan 8.230 nan 0.000 0.432 2566 L N -1.051 120.151 121.223 -0.035 0.000 2.027 2566 L HA -0.251 4.091 4.340 0.004 0.000 0.206 2566 L C 2.611 179.513 176.870 0.054 0.000 1.074 2566 L CA 1.323 56.168 54.840 0.008 0.000 0.745 2566 L CB -0.336 41.699 42.059 -0.040 0.000 0.898 2566 L HN 0.277 nan 8.230 nan 0.000 0.433 2567 Q N -0.440 119.366 119.800 0.011 0.000 2.226 2567 Q HA -0.177 4.165 4.340 0.004 0.000 0.204 2567 Q C 2.259 178.367 176.000 0.180 0.000 0.975 2567 Q CA 1.205 57.052 55.803 0.073 0.000 0.866 2567 Q CB -0.059 28.692 28.738 0.022 0.000 0.915 2567 Q HN 0.491 nan 8.270 nan 0.000 0.440 2568 L N -0.182 121.134 121.223 0.156 0.000 2.109 2568 L HA -0.140 4.202 4.340 0.004 0.000 0.207 2568 L C 2.650 179.884 176.870 0.607 0.000 1.086 2568 L CA 1.512 56.533 54.840 0.302 0.000 0.760 2568 L CB -0.706 41.380 42.059 0.044 0.000 0.910 2568 L HN 0.365 nan 8.230 nan 0.000 0.437 2569 T N -3.511 111.307 114.554 0.440 0.000 2.821 2569 T HA -0.106 4.246 4.350 0.004 0.000 0.267 2569 T C 1.854 176.813 174.700 0.432 0.000 1.046 2569 T CA 1.019 63.413 62.100 0.491 0.000 1.139 2569 T CB -0.679 68.395 68.868 0.343 0.000 0.871 2569 T HN 0.052 nan 8.240 nan 0.000 0.454 2570 V N 0.146 120.279 119.914 0.366 0.000 2.287 2570 V HA -0.124 3.998 4.120 0.004 0.000 0.248 2570 V C 2.221 178.546 176.094 0.385 0.000 1.053 2570 V CA 1.958 64.481 62.300 0.372 0.000 1.027 2570 V CB -0.918 31.049 31.823 0.239 0.000 0.646 2570 V HN 0.716 nan 8.190 nan 0.000 0.447 2571 W N 1.130 122.541 121.300 0.184 0.000 2.333 2571 W HA -0.137 4.526 4.660 0.004 0.000 0.316 2571 W C 2.378 178.884 176.519 -0.021 0.000 1.215 2571 W CA 2.190 59.589 57.345 0.090 0.000 1.278 2571 W CB -0.830 28.674 29.460 0.074 0.000 1.154 2571 W HN 0.251 nan 8.180 nan 0.000 0.486 2572 G N 0.692 109.622 108.800 0.215 0.000 2.476 2572 G HA2 -0.323 3.639 3.960 0.004 0.000 0.218 2572 G HA3 -0.323 3.639 3.960 0.004 0.000 0.218 2572 G C 1.481 176.386 174.900 0.008 0.000 1.164 2572 G CA 1.570 46.568 45.100 -0.169 0.000 0.768 2572 G HN 0.376 nan 8.290 nan 0.000 0.560 2573 I N 0.257 120.921 120.570 0.157 0.000 2.226 2573 I HA -0.157 4.015 4.170 0.004 0.000 0.245 2573 I C 2.786 178.922 176.117 0.032 0.000 1.100 2573 I CA 1.271 62.665 61.300 0.157 0.000 1.374 2573 I CB -0.104 38.089 38.000 0.321 0.000 1.057 2573 I HN 0.113 nan 8.210 nan 0.000 0.413 2574 K N 0.085 120.500 120.400 0.025 0.000 2.148 2574 K HA -0.149 4.173 4.320 0.004 0.000 0.204 2574 K C 2.180 178.634 176.600 -0.244 0.000 1.050 2574 K CA 0.868 57.117 56.287 -0.063 0.000 0.942 2574 K CB -0.013 32.484 32.500 -0.005 0.000 0.724 2574 K HN 0.316 nan 8.250 nan 0.000 0.446 2575 Q N 0.513 120.075 119.800 -0.397 0.000 2.123 2575 Q HA -0.058 4.284 4.340 0.004 0.000 0.199 2575 Q C 2.192 178.103 176.000 -0.149 0.000 0.966 2575 Q CA 1.074 56.650 55.803 -0.378 0.000 0.845 2575 Q CB -0.024 28.344 28.738 -0.617 0.000 0.907 2575 Q HN 0.357 nan 8.270 nan 0.000 0.439 2576 L N 0.531 121.700 121.223 -0.090 0.000 2.109 2576 L HA -0.152 4.190 4.340 0.004 0.000 0.207 2576 L C 2.689 179.438 176.870 -0.202 0.000 1.086 2576 L CA 0.915 55.694 54.840 -0.102 0.000 0.760 2576 L CB -0.387 41.632 42.059 -0.066 0.000 0.910 2576 L HN 0.267 nan 8.230 nan 0.000 0.437 2577 Q N 0.285 119.913 119.800 -0.285 0.000 2.084 2577 Q HA -0.229 4.114 4.340 0.004 0.000 0.202 2577 Q C 2.285 178.077 176.000 -0.346 0.000 0.978 2577 Q CA 1.813 57.332 55.803 -0.473 0.000 0.844 2577 Q CB -0.038 28.299 28.738 -0.668 0.000 0.898 2577 Q HN 0.534 nan 8.270 nan 0.000 0.426 2578 A N 0.662 123.339 122.820 -0.239 0.000 1.972 2578 A HA -0.185 4.137 4.320 0.004 0.000 0.219 2578 A C 2.036 179.536 177.584 -0.141 0.000 1.169 2578 A CA 1.486 53.423 52.037 -0.168 0.000 0.635 2578 A CB -0.403 18.517 19.000 -0.133 0.000 0.810 2578 A HN 0.314 nan 8.150 nan 0.000 0.446 2579 R N -0.948 119.466 120.500 -0.142 0.000 2.100 2579 R HA 0.083 4.425 4.340 0.004 0.000 0.220 2579 R C 1.583 177.805 176.300 -0.130 0.000 1.091 2579 R CA 0.892 56.922 56.100 -0.115 0.000 0.986 2579 R CB -0.048 30.192 30.300 -0.099 0.000 0.888 2579 R HN 0.421 nan 8.270 nan 0.000 0.444 2580 I N 0.345 120.811 120.570 -0.172 0.000 2.584 2580 I HA 0.023 4.195 4.170 0.004 0.000 0.255 2580 I C 0.614 176.624 176.117 -0.179 0.000 1.145 2580 I CA 0.648 61.843 61.300 -0.174 0.000 1.462 2580 I CB -0.480 37.400 38.000 -0.201 0.000 1.102 2580 I HN 0.055 nan 8.210 nan 0.000 0.433 3625 H N 0.954 120.117 119.070 0.155 0.000 2.492 3625 H HA -0.094 4.464 4.556 0.004 0.000 0.296 3625 H C 2.323 177.775 175.328 0.207 0.000 1.095 3625 H CA 2.178 58.322 56.048 0.160 0.000 1.281 3625 H CB 0.053 29.865 29.762 0.084 0.000 1.374 3625 H HN 0.359 nan 8.280 nan 0.000 0.545 3626 T N -0.974 113.701 114.554 0.201 0.000 2.851 3626 T HA -0.075 4.277 4.350 0.004 0.000 0.262 3626 T C 1.917 176.688 174.700 0.117 0.000 1.043 3626 T CA 1.566 63.747 62.100 0.135 0.000 1.140 3626 T CB -0.361 68.584 68.868 0.129 0.000 0.872 3626 T HN 0.373 nan 8.240 nan 0.000 0.446 3627 T N 0.181 114.834 114.554 0.165 0.000 2.985 3627 T HA -0.011 4.341 4.350 0.004 0.000 0.266 3627 T C 1.450 176.209 174.700 0.098 0.000 1.076 3627 T CA 0.438 62.603 62.100 0.108 0.000 1.135 3627 T CB -0.334 68.631 68.868 0.162 0.000 0.890 3627 T HN 0.468 nan 8.240 nan 0.000 0.480 3628 W N 1.193 122.583 121.300 0.151 0.000 2.418 3628 W HA 0.206 4.868 4.660 0.003 0.000 0.292 3628 W C 2.390 179.005 176.519 0.159 0.000 1.213 3628 W CA 0.349 57.789 57.345 0.159 0.000 1.283 3628 W CB -0.347 29.122 29.460 0.014 0.000 1.119 3628 W HN 0.139 nan 8.180 nan 0.000 0.542 3629 M N -0.145 119.572 119.600 0.195 0.000 2.175 3629 M HA -0.181 4.302 4.480 0.004 0.000 0.264 3629 M C 1.628 177.994 176.300 0.110 0.000 1.063 3629 M CA 1.647 57.012 55.300 0.108 0.000 1.119 3629 M CB -0.475 32.119 32.600 -0.010 0.000 1.377 3629 M HN 0.086 nan 8.290 nan 0.000 0.415 3630 E N -0.991 119.257 120.200 0.080 0.000 2.107 3630 E HA -0.230 4.123 4.350 0.004 0.000 0.191 3630 E C 1.609 178.215 176.600 0.011 0.000 0.982 3630 E CA 1.137 57.548 56.400 0.017 0.000 0.809 3630 E CB -0.197 29.486 29.700 -0.029 0.000 0.756 3630 E HN 0.581 nan 8.360 nan 0.000 0.459 3631 W N 2.470 123.662 121.300 -0.181 0.000 2.335 3631 W HA -0.242 4.420 4.660 0.003 0.000 0.311 3631 W C 1.715 178.207 176.519 -0.044 0.000 1.213 3631 W CA 2.121 59.338 57.345 -0.212 0.000 1.274 3631 W CB -0.280 29.008 29.460 -0.286 0.000 1.148 3631 W HN 0.007 nan 8.180 nan 0.000 0.498 3632 D N -0.487 120.086 120.400 0.288 0.000 2.116 3632 D HA -0.279 4.363 4.640 0.004 0.000 0.193 3632 D C 2.359 178.622 176.300 -0.062 0.000 0.998 3632 D CA 2.167 56.242 54.000 0.125 0.000 0.836 3632 D CB -0.371 40.598 40.800 0.282 0.000 0.951 3632 D HN 0.088 nan 8.370 nan 0.000 0.449 3633 R N 0.494 120.976 120.500 -0.030 0.000 2.081 3633 R HA -0.140 4.202 4.340 0.004 0.000 0.235 3633 R C 1.992 178.223 176.300 -0.114 0.000 1.131 3633 R CA 1.401 57.465 56.100 -0.060 0.000 0.960 3633 R CB -0.115 30.161 30.300 -0.040 0.000 0.856 3633 R HN 0.301 nan 8.270 nan 0.000 0.436 3634 E N 0.316 120.428 120.200 -0.147 0.000 2.077 3634 E HA -0.174 4.178 4.350 0.004 0.000 0.193 3634 E C 2.096 178.619 176.600 -0.127 0.000 0.989 3634 E CA 1.070 57.389 56.400 -0.136 0.000 0.800 3634 E CB -0.016 29.606 29.700 -0.131 0.000 0.746 3634 E HN 0.334 nan 8.360 nan 0.000 0.452 3635 I N 2.041 122.408 120.570 -0.337 0.000 2.208 3635 I HA -0.270 3.903 4.170 0.004 0.000 0.245 3635 I C 1.882 177.905 176.117 -0.157 0.000 1.097 3635 I CA 1.250 62.338 61.300 -0.354 0.000 1.363 3635 I CB -1.067 36.513 38.000 -0.701 0.000 1.051 3635 I HN 0.121 nan 8.210 nan 0.000 0.413 3636 N N 1.261 119.880 118.700 -0.134 0.000 2.166 3636 N HA -0.150 4.592 4.740 0.004 0.000 0.186 3636 N C 1.558 177.024 175.510 -0.073 0.000 1.019 3636 N CA 1.038 54.046 53.050 -0.070 0.000 0.856 3636 N CB -0.492 37.965 38.487 -0.050 0.000 0.993 3636 N HN 0.376 nan 8.380 nan 0.000 0.426 3637 N N 0.142 118.770 118.700 -0.120 0.000 2.142 3637 N HA -0.092 4.650 4.740 0.004 0.000 0.186 3637 N C 1.611 176.986 175.510 -0.225 0.000 1.023 3637 N CA 0.823 53.755 53.050 -0.197 0.000 0.852 3637 N CB -0.454 37.852 38.487 -0.302 0.000 0.998 3637 N HN 0.323 nan 8.380 nan 0.000 0.424 3638 Y N 1.382 121.600 120.300 -0.137 0.000 2.220 3638 Y HA -0.055 4.498 4.550 0.004 0.000 0.291 3638 Y C 2.571 178.393 175.900 -0.130 0.000 1.129 3638 Y CA 1.107 59.125 58.100 -0.136 0.000 1.161 3638 Y CB -0.698 37.675 38.460 -0.145 0.000 0.997 3638 Y HN 0.029 nan 8.280 nan 0.000 0.522 3639 T N -1.249 113.318 114.554 0.022 0.000 2.684 3639 T HA -0.252 4.100 4.350 0.004 0.000 0.267 3639 T C 2.229 176.915 174.700 -0.022 0.000 1.036 3639 T CA 1.740 63.810 62.100 -0.050 0.000 1.148 3639 T CB -0.591 68.274 68.868 -0.005 0.000 0.863 3639 T HN 0.307 nan 8.240 nan 0.000 0.436 3640 S N 0.585 116.306 115.700 0.035 0.000 2.368 3640 S HA -0.060 4.413 4.470 0.004 0.000 0.225 3640 S C 1.990 176.602 174.600 0.020 0.000 1.030 3640 S CA 0.868 59.107 58.200 0.066 0.000 0.999 3640 S CB -0.445 62.757 63.200 0.004 0.000 0.844 3640 S HN 0.331 nan 8.310 nan 0.000 0.459 3641 L N 1.483 122.679 121.223 -0.045 0.000 2.046 3641 L HA 0.086 4.428 4.340 0.004 0.000 0.208 3641 L C 2.020 178.872 176.870 -0.030 0.000 1.077 3641 L CA 1.688 56.494 54.840 -0.057 0.000 0.747 3641 L CB -0.540 41.449 42.059 -0.118 0.000 0.896 3641 L HN 0.399 nan 8.230 nan 0.000 0.432 3642 I N -1.250 119.287 120.570 -0.054 0.000 2.226 3642 I HA -0.297 3.875 4.170 0.004 0.000 0.245 3642 I C 2.447 178.484 176.117 -0.133 0.000 1.100 3642 I CA 0.904 62.139 61.300 -0.108 0.000 1.374 3642 I CB -0.659 37.237 38.000 -0.173 0.000 1.057 3642 I HN 0.360 nan 8.210 nan 0.000 0.413 3643 H N 0.722 119.767 119.070 -0.041 0.000 2.290 3643 H HA -0.154 4.404 4.556 0.003 0.000 0.298 3643 H C 2.648 177.955 175.328 -0.035 0.000 1.087 3643 H CA 2.104 58.124 56.048 -0.046 0.000 1.291 3643 H CB -0.582 29.151 29.762 -0.048 0.000 1.369 3643 H HN 0.393 nan 8.280 nan 0.000 0.492 3644 S N 0.540 116.296 115.700 0.092 0.000 2.419 3644 S HA -0.091 4.381 4.470 0.004 0.000 0.233 3644 S C 2.222 176.832 174.600 0.017 0.000 1.016 3644 S CA 0.791 59.014 58.200 0.038 0.000 0.974 3644 S CB -0.449 62.760 63.200 0.015 0.000 0.786 3644 S HN 0.061 nan 8.310 nan 0.000 0.492 3645 L N 1.296 122.522 121.223 0.005 0.000 2.109 3645 L HA 0.235 4.577 4.340 0.004 0.000 0.207 3645 L C 2.361 179.230 176.870 -0.002 0.000 1.086 3645 L CA 1.140 55.978 54.840 -0.004 0.000 0.760 3645 L CB -0.727 41.325 42.059 -0.011 0.000 0.910 3645 L HN 0.356 nan 8.230 nan 0.000 0.437 3646 I N -1.051 119.519 120.570 -0.000 0.000 2.286 3646 I HA -0.249 3.923 4.170 0.004 0.000 0.245 3646 I C 2.307 178.436 176.117 0.019 0.000 1.104 3646 I CA 0.939 62.242 61.300 0.005 0.000 1.397 3646 I CB -0.196 37.805 38.000 0.002 0.000 1.072 3646 I HN 0.311 nan 8.210 nan 0.000 0.417 3647 E N 0.743 120.961 120.200 0.030 0.000 2.085 3647 E HA -0.262 4.090 4.350 0.004 0.000 0.194 3647 E C 2.045 178.653 176.600 0.013 0.000 0.994 3647 E CA 1.350 57.764 56.400 0.024 0.000 0.801 3647 E CB -0.069 29.645 29.700 0.024 0.000 0.743 3647 E HN 0.511 nan 8.360 nan 0.000 0.453 3648 E N 0.208 120.413 120.200 0.009 0.000 2.106 3648 E HA -0.121 4.231 4.350 0.004 0.000 0.192 3648 E C 2.179 178.781 176.600 0.004 0.000 0.984 3648 E CA 0.975 57.377 56.400 0.004 0.000 0.806 3648 E CB 0.078 29.779 29.700 0.001 0.000 0.750 3648 E HN 0.053 nan 8.360 nan 0.000 0.458 3649 S N 0.917 116.620 115.700 0.005 0.000 2.387 3649 S HA -0.160 4.313 4.470 0.004 0.000 0.226 3649 S C 1.913 176.518 174.600 0.008 0.000 1.026 3649 S CA 0.872 59.074 58.200 0.005 0.000 0.972 3649 S CB -0.108 63.094 63.200 0.003 0.000 0.814 3649 S HN 0.252 nan 8.310 nan 0.000 0.477 3650 Q N 1.194 121.001 119.800 0.011 0.000 2.084 3650 Q HA -0.058 4.284 4.340 0.004 0.000 0.202 3650 Q C 1.852 177.858 176.000 0.010 0.000 0.978 3650 Q CA 1.127 56.938 55.803 0.013 0.000 0.844 3650 Q CB -0.210 28.539 28.738 0.018 0.000 0.898 3650 Q HN 0.412 nan 8.270 nan 0.000 0.426 3651 N N 0.512 119.217 118.700 0.008 0.000 2.120 3651 N HA -0.191 4.551 4.740 0.004 0.000 0.188 3651 N C 1.714 177.227 175.510 0.004 0.000 1.024 3651 N CA 1.222 54.275 53.050 0.005 0.000 0.852 3651 N CB -0.207 38.283 38.487 0.004 0.000 1.003 3651 N HN 0.183 nan 8.380 nan 0.000 0.424 3652 Q N 0.883 120.685 119.800 0.004 0.000 2.172 3652 Q HA -0.080 4.262 4.340 0.004 0.000 0.200 3652 Q C 1.928 177.930 176.000 0.003 0.000 0.964 3652 Q CA 1.244 57.048 55.803 0.003 0.000 0.855 3652 Q CB -0.160 28.579 28.738 0.002 0.000 0.918 3652 Q HN 0.270 nan 8.270 nan 0.000 0.444 3653 Q N 0.417 120.220 119.800 0.005 0.000 2.046 3653 Q HA -0.144 4.198 4.340 0.004 0.000 0.200 3653 Q C 1.697 177.700 176.000 0.005 0.000 0.975 3653 Q CA 1.992 57.798 55.803 0.006 0.000 0.836 3653 Q CB -0.087 28.655 28.738 0.008 0.000 0.896 3653 Q HN 0.523 nan 8.270 nan 0.000 0.428 3654 E N -0.203 120.001 120.200 0.006 0.000 2.110 3654 E HA -0.215 4.137 4.350 0.004 0.000 0.193 3654 E C 1.845 178.448 176.600 0.004 0.000 0.988 3654 E CA 1.142 57.545 56.400 0.005 0.000 0.804 3654 E CB -0.027 29.676 29.700 0.006 0.000 0.745 3654 E HN 0.246 nan 8.360 nan 0.000 0.458 3655 K N 0.453 120.855 120.400 0.003 0.000 2.057 3655 K HA -0.124 4.198 4.320 0.004 0.000 0.206 3655 K C 1.844 178.445 176.600 0.002 0.000 1.050 3655 K CA 1.187 57.476 56.287 0.002 0.000 0.935 3655 K CB 0.146 32.647 32.500 0.001 0.000 0.715 3655 K HN -0.015 nan 8.250 nan 0.000 0.439 3656 N N 1.163 119.864 118.700 0.002 0.000 2.120 3656 N HA -0.159 4.583 4.740 0.004 0.000 0.188 3656 N C 1.436 176.947 175.510 0.002 0.000 1.024 3656 N CA 1.328 54.380 53.050 0.002 0.000 0.852 3656 N CB -0.131 38.357 38.487 0.002 0.000 1.003 3656 N HN 0.312 nan 8.380 nan 0.000 0.424 3657 E N 0.657 120.859 120.200 0.003 0.000 2.077 3657 E HA -0.164 4.188 4.350 0.004 0.000 0.193 3657 E C 1.984 178.585 176.600 0.002 0.000 0.989 3657 E CA 0.930 57.331 56.400 0.003 0.000 0.800 3657 E CB -0.055 29.647 29.700 0.004 0.000 0.746 3657 E HN 0.436 nan 8.360 nan 0.000 0.452 3658 Q N 0.267 120.068 119.800 0.002 0.000 2.050 3658 Q HA -0.224 4.118 4.340 0.004 0.000 0.202 3658 Q C 2.107 178.108 176.000 0.001 0.000 0.980 3658 Q CA 1.412 57.216 55.803 0.002 0.000 0.840 3658 Q CB -0.015 28.724 28.738 0.002 0.000 0.898 3658 Q HN 0.077 nan 8.270 nan 0.000 0.424 3659 E N 0.685 120.886 120.200 0.001 0.000 2.106 3659 E HA -0.177 4.176 4.350 0.004 0.000 0.192 3659 E C 1.691 178.292 176.600 0.001 0.000 0.984 3659 E CA 0.547 56.948 56.400 0.001 0.000 0.806 3659 E CB -0.226 29.475 29.700 0.001 0.000 0.750 3659 E HN 0.212 nan 8.360 nan 0.000 0.458 3660 L N 0.244 121.467 121.223 0.001 0.000 2.081 3660 L HA -0.117 4.225 4.340 0.004 0.000 0.212 3660 L C 1.849 178.720 176.870 0.001 0.000 1.080 3660 L CA 1.641 56.482 54.840 0.001 0.000 0.754 3660 L CB -0.351 41.709 42.059 0.002 0.000 0.893 3660 L HN 0.257 nan 8.230 nan 0.000 0.433 3661 L N -1.023 120.201 121.223 0.001 0.000 2.622 3661 L HA -0.071 4.271 4.340 0.004 0.000 0.233 3661 L C 1.949 178.819 176.870 0.001 0.000 1.156 3661 L CA 0.535 55.376 54.840 0.001 0.000 0.866 3661 L CB -0.351 41.708 42.059 0.001 0.000 0.980 3661 L HN 0.430 nan 8.230 nan 0.000 0.448 3662 E N -1.148 119.052 120.200 0.001 0.000 2.306 3662 E HA 0.260 4.612 4.350 0.004 0.000 0.201 3662 E C 1.190 177.791 176.600 0.000 0.000 0.874 3662 E CA 0.573 56.973 56.400 0.000 0.000 0.972 3662 E CB 0.754 30.454 29.700 0.000 0.000 0.957 3662 E HN 0.370 nan 8.360 nan 0.000 0.492 3663 G N 0.786 109.586 108.800 0.000 0.000 2.492 3663 G HA2 0.123 4.085 3.960 0.004 0.000 0.065 3663 G HA3 0.123 4.085 3.960 0.004 0.000 0.065 3663 G C -0.851 174.049 174.900 0.000 0.000 0.956 3663 G CA 0.195 45.295 45.100 0.000 0.000 1.223 3663 G HN 0.152 nan 8.290 nan 0.000 0.511 4544 L N 1.721 122.944 121.223 -0.000 0.000 2.012 4544 L HA -0.071 4.271 4.340 0.004 0.000 0.210 4544 L C 2.003 178.873 176.870 -0.000 0.000 1.073 4544 L CA 1.838 56.678 54.840 0.000 0.000 0.748 4544 L CB -0.556 41.504 42.059 0.000 0.000 0.891 4544 L HN 0.423 nan 8.230 nan 0.000 0.431 4545 L N -0.613 120.610 121.223 -0.000 0.000 2.083 4545 L HA -0.170 4.172 4.340 0.004 0.000 0.209 4545 L C 2.784 179.654 176.870 -0.001 0.000 1.083 4545 L CA 1.908 56.748 54.840 -0.000 0.000 0.752 4545 L CB -0.703 41.356 42.059 -0.000 0.000 0.899 4545 L HN 0.620 nan 8.230 nan 0.000 0.433 4546 S N -1.759 113.940 115.700 -0.001 0.000 2.387 4546 S HA -0.060 4.412 4.470 0.004 0.000 0.226 4546 S C 2.130 176.729 174.600 -0.001 0.000 1.026 4546 S CA 0.694 58.893 58.200 -0.001 0.000 0.972 4546 S CB -1.216 61.983 63.200 -0.001 0.000 0.814 4546 S HN 0.398 nan 8.310 nan 0.000 0.477 4547 G N 1.911 110.711 108.800 -0.001 0.000 2.422 4547 G HA2 -0.041 3.921 3.960 0.004 0.000 0.218 4547 G HA3 -0.041 3.921 3.960 0.004 0.000 0.218 4547 G C 1.404 176.304 174.900 -0.000 0.000 1.146 4547 G CA 0.865 45.965 45.100 -0.000 0.000 0.769 4547 G HN 0.547 nan 8.290 nan 0.000 0.547 4548 I N 0.297 120.867 120.570 -0.000 0.000 2.179 4548 I HA -0.172 4.000 4.170 0.004 0.000 0.242 4548 I C 2.771 178.888 176.117 -0.000 0.000 1.088 4548 I CA 0.592 61.892 61.300 0.000 0.000 1.357 4548 I CB -0.182 37.818 38.000 0.000 0.000 1.051 4548 I HN 0.036 nan 8.210 nan 0.000 0.409 4549 V N 0.285 120.199 119.914 -0.001 0.000 2.358 4549 V HA -0.305 3.818 4.120 0.004 0.000 0.246 4549 V C 2.377 178.470 176.094 -0.001 0.000 1.047 4549 V CA 1.804 64.104 62.300 -0.001 0.000 1.035 4549 V CB -0.688 31.134 31.823 -0.001 0.000 0.658 4549 V HN 0.462 nan 8.190 nan 0.000 0.452 4550 Q N -0.549 119.251 119.800 -0.001 0.000 2.135 4550 Q HA -0.305 4.037 4.340 0.004 0.000 0.204 4550 Q C 2.311 178.311 176.000 -0.001 0.000 0.981 4550 Q CA 2.014 57.816 55.803 -0.001 0.000 0.856 4550 Q CB -0.223 28.514 28.738 -0.001 0.000 0.902 4550 Q HN 0.582 nan 8.270 nan 0.000 0.425 4551 Q N 0.149 119.948 119.800 -0.001 0.000 2.123 4551 Q HA -0.153 4.190 4.340 0.004 0.000 0.199 4551 Q C 1.921 177.921 176.000 -0.001 0.000 0.966 4551 Q CA 1.266 57.069 55.803 -0.000 0.000 0.845 4551 Q CB 0.104 28.842 28.738 0.001 0.000 0.907 4551 Q HN 0.268 nan 8.270 nan 0.000 0.439 4552 Q N 0.124 119.924 119.800 -0.001 0.000 2.096 4552 Q HA -0.142 4.200 4.340 0.004 0.000 0.204 4552 Q C 1.656 177.655 176.000 -0.002 0.000 0.982 4552 Q CA 1.485 57.287 55.803 -0.002 0.000 0.850 4552 Q CB -0.324 28.413 28.738 -0.002 0.000 0.901 4552 Q HN 0.513 nan 8.270 nan 0.000 0.422 4553 N N 0.829 119.529 118.700 -0.001 0.000 2.171 4553 N HA -0.093 4.649 4.740 0.004 0.000 0.184 4553 N C 1.451 176.961 175.510 -0.001 0.000 1.021 4553 N CA 0.648 53.698 53.050 -0.001 0.000 0.854 4553 N CB -0.399 38.087 38.487 -0.001 0.000 0.994 4553 N HN 0.236 nan 8.380 nan 0.000 0.426 4554 N N 1.288 119.988 118.700 -0.001 0.000 2.104 4554 N HA -0.083 4.659 4.740 0.004 0.000 0.190 4554 N C 1.885 177.394 175.510 -0.002 0.000 1.024 4554 N CA 0.640 53.689 53.050 -0.001 0.000 0.853 4554 N CB -0.394 38.092 38.487 -0.001 0.000 1.008 4554 N HN 0.287 nan 8.380 nan 0.000 0.424 4555 L N -0.126 121.095 121.223 -0.003 0.000 2.072 4555 L HA -0.066 4.276 4.340 0.004 0.000 0.205 4555 L C 2.233 179.100 176.870 -0.005 0.000 1.079 4555 L CA 0.367 55.205 54.840 -0.004 0.000 0.752 4555 L CB -0.371 41.685 42.059 -0.004 0.000 0.906 4555 L HN 0.117 nan 8.230 nan 0.000 0.436 4556 L N 0.101 121.322 121.223 -0.003 0.000 2.012 4556 L HA -0.207 4.135 4.340 0.004 0.000 0.210 4556 L C 2.747 179.618 176.870 0.002 0.000 1.073 4556 L CA 1.762 56.601 54.840 -0.003 0.000 0.748 4556 L CB -0.441 41.617 42.059 -0.001 0.000 0.891 4556 L HN 0.082 nan 8.230 nan 0.000 0.431 4557 R N -0.613 119.890 120.500 0.005 0.000 2.096 4557 R HA -0.107 4.235 4.340 0.004 0.000 0.235 4557 R C 2.251 178.560 176.300 0.015 0.000 1.127 4557 R CA 1.187 57.295 56.100 0.014 0.000 0.968 4557 R CB -0.656 29.649 30.300 0.010 0.000 0.861 4557 R HN 0.553 nan 8.270 nan 0.000 0.440 4558 A N 1.367 124.188 122.820 0.002 0.000 1.877 4558 A HA -0.153 4.169 4.320 0.004 0.000 0.216 4558 A C 2.148 179.726 177.584 -0.011 0.000 1.186 4558 A CA 1.259 53.292 52.037 -0.007 0.000 0.620 4558 A CB -0.473 18.517 19.000 -0.017 0.000 0.822 4558 A HN 0.178 nan 8.150 nan 0.000 0.443 4559 I N -0.485 120.078 120.570 -0.012 0.000 2.226 4559 I HA -0.254 3.918 4.170 0.004 0.000 0.245 4559 I C 2.485 178.593 176.117 -0.016 0.000 1.100 4559 I CA 1.574 62.862 61.300 -0.021 0.000 1.374 4559 I CB -0.440 37.547 38.000 -0.022 0.000 1.057 4559 I HN 0.437 nan 8.210 nan 0.000 0.413 4560 E N 0.917 121.121 120.200 0.006 0.000 2.106 4560 E HA -0.193 4.159 4.350 0.004 0.000 0.192 4560 E C 2.344 178.991 176.600 0.079 0.000 0.984 4560 E CA 1.240 57.659 56.400 0.031 0.000 0.806 4560 E CB -0.167 29.565 29.700 0.054 0.000 0.750 4560 E HN 0.514 nan 8.360 nan 0.000 0.458 4561 A N 1.191 124.058 122.820 0.079 0.000 1.930 4561 A HA -0.225 4.097 4.320 0.004 0.000 0.217 4561 A C 2.036 179.605 177.584 -0.025 0.000 1.175 4561 A CA 1.208 53.308 52.037 0.105 0.000 0.627 4561 A CB -0.346 18.740 19.000 0.144 0.000 0.815 4561 A HN 0.159 nan 8.150 nan 0.000 0.443 4562 Q N -1.327 118.450 119.800 -0.039 0.000 2.124 4562 Q HA -0.234 4.108 4.340 0.004 0.000 0.202 4562 Q C 2.251 178.191 176.000 -0.100 0.000 0.977 4562 Q CA 1.572 57.329 55.803 -0.078 0.000 0.850 4562 Q CB -0.125 28.574 28.738 -0.065 0.000 0.901 4562 Q HN 0.693 nan 8.270 nan 0.000 0.429 4563 Q N -0.286 119.458 119.800 -0.094 0.000 2.224 4563 Q HA -0.159 4.183 4.340 0.004 0.000 0.203 4563 Q C 1.581 177.457 176.000 -0.207 0.000 0.970 4563 Q CA 1.459 57.184 55.803 -0.129 0.000 0.865 4563 Q CB -0.020 28.643 28.738 -0.125 0.000 0.922 4563 Q HN 0.460 nan 8.270 nan 0.000 0.445 4564 H N -0.966 117.930 119.070 -0.290 0.000 2.333 4564 H HA -0.065 4.493 4.556 0.004 0.000 0.302 4564 H C 1.775 176.792 175.328 -0.518 0.000 1.075 4564 H CA 1.431 57.198 56.048 -0.469 0.000 1.348 4564 H CB -0.034 29.213 29.762 -0.858 0.000 1.393 4564 H HN 0.249 nan 8.280 nan 0.000 0.509 4565 L N 0.917 121.910 121.223 -0.383 0.000 2.079 4565 L HA -0.157 4.185 4.340 0.004 0.000 0.210 4565 L C 2.265 179.066 176.870 -0.114 0.000 1.081 4565 L CA 1.126 55.811 54.840 -0.258 0.000 0.752 4565 L CB -0.698 41.258 42.059 -0.171 0.000 0.896 4565 L HN 0.134 nan 8.230 nan 0.000 0.433 4566 L N -1.112 120.056 121.223 -0.091 0.000 2.156 4566 L HA -0.104 4.238 4.340 0.004 0.000 0.208 4566 L C 2.349 179.223 176.870 0.007 0.000 1.095 4566 L CA 1.459 56.284 54.840 -0.025 0.000 0.770 4566 L CB -0.804 41.232 42.059 -0.037 0.000 0.914 4566 L HN 0.325 nan 8.230 nan 0.000 0.439 4567 Q N -0.548 119.228 119.800 -0.040 0.000 2.167 4567 Q HA -0.082 4.260 4.340 0.004 0.000 0.202 4567 Q C 2.302 178.362 176.000 0.100 0.000 0.970 4567 Q CA 1.401 57.206 55.803 0.004 0.000 0.855 4567 Q CB -0.381 28.311 28.738 -0.076 0.000 0.911 4567 Q HN 0.491 nan 8.270 nan 0.000 0.438 4568 L N 0.525 121.786 121.223 0.062 0.000 2.056 4568 L HA -0.166 4.176 4.340 0.004 0.000 0.207 4568 L C 2.532 179.694 176.870 0.486 0.000 1.078 4568 L CA 1.761 56.710 54.840 0.181 0.000 0.749 4568 L CB -0.922 41.085 42.059 -0.087 0.000 0.901 4568 L HN 0.305 nan 8.230 nan 0.000 0.433 4569 T N -3.566 111.187 114.554 0.331 0.000 2.821 4569 T HA -0.101 4.251 4.350 0.004 0.000 0.267 4569 T C 1.830 176.714 174.700 0.305 0.000 1.046 4569 T CA 1.020 63.356 62.100 0.394 0.000 1.139 4569 T CB -0.649 68.382 68.868 0.271 0.000 0.871 4569 T HN 0.066 nan 8.240 nan 0.000 0.454 4570 V N 0.054 120.105 119.914 0.229 0.000 2.343 4570 V HA -0.092 4.031 4.120 0.004 0.000 0.247 4570 V C 2.209 178.411 176.094 0.181 0.000 1.051 4570 V CA 1.825 64.227 62.300 0.170 0.000 1.036 4570 V CB -0.884 31.013 31.823 0.124 0.000 0.654 4570 V HN 0.728 nan 8.190 nan 0.000 0.451 4571 W N 1.206 122.539 121.300 0.056 0.000 2.358 4571 W HA -0.087 4.575 4.660 0.003 0.000 0.303 4571 W C 2.309 178.766 176.519 -0.102 0.000 1.208 4571 W CA 1.840 59.181 57.345 -0.007 0.000 1.274 4571 W CB -0.627 28.835 29.460 0.004 0.000 1.138 4571 W HN 0.242 nan 8.180 nan 0.000 0.515 4572 G N 0.711 109.592 108.800 0.135 0.000 2.418 4572 G HA2 -0.291 3.671 3.960 0.004 0.000 0.217 4572 G HA3 -0.291 3.671 3.960 0.004 0.000 0.217 4572 G C 1.438 176.281 174.900 -0.095 0.000 1.158 4572 G CA 1.486 46.425 45.100 -0.269 0.000 0.771 4572 G HN 0.357 nan 8.290 nan 0.000 0.545 4573 I N 0.243 120.824 120.570 0.019 0.000 2.202 4573 I HA -0.105 4.067 4.170 0.004 0.000 0.242 4573 I C 2.672 178.754 176.117 -0.058 0.000 1.091 4573 I CA 1.354 62.669 61.300 0.026 0.000 1.368 4573 I CB -0.170 37.882 38.000 0.086 0.000 1.058 4573 I HN 0.095 nan 8.210 nan 0.000 0.410 4574 K N 0.337 120.668 120.400 -0.115 0.000 2.063 4574 K HA -0.242 4.080 4.320 0.004 0.000 0.208 4574 K C 2.306 178.759 176.600 -0.245 0.000 1.048 4574 K CA 1.420 57.610 56.287 -0.161 0.000 0.928 4574 K CB 0.037 32.430 32.500 -0.179 0.000 0.713 4574 K HN 0.209 nan 8.250 nan 0.000 0.442 4575 Q N 0.414 119.955 119.800 -0.433 0.000 2.079 4575 Q HA -0.108 4.234 4.340 0.004 0.000 0.200 4575 Q C 2.210 178.133 176.000 -0.128 0.000 0.974 4575 Q CA 1.188 56.747 55.803 -0.406 0.000 0.840 4575 Q CB -0.132 28.129 28.738 -0.796 0.000 0.898 4575 Q HN 0.387 nan 8.270 nan 0.000 0.430 4576 L N 0.499 121.685 121.223 -0.060 0.000 2.046 4576 L HA -0.234 4.109 4.340 0.004 0.000 0.208 4576 L C 2.589 179.413 176.870 -0.076 0.000 1.077 4576 L CA 1.259 56.062 54.840 -0.063 0.000 0.747 4576 L CB -0.387 41.638 42.059 -0.058 0.000 0.896 4576 L HN 0.226 nan 8.230 nan 0.000 0.432 4577 Q N 0.485 120.243 119.800 -0.069 0.000 2.084 4577 Q HA -0.189 4.154 4.340 0.004 0.000 0.202 4577 Q C 2.148 178.112 176.000 -0.062 0.000 0.978 4577 Q CA 2.156 57.924 55.803 -0.058 0.000 0.844 4577 Q CB -0.249 28.463 28.738 -0.044 0.000 0.898 4577 Q HN 0.417 nan 8.270 nan 0.000 0.426 4578 A N 0.184 122.959 122.820 -0.076 0.000 1.969 4578 A HA -0.128 4.194 4.320 0.004 0.000 0.218 4578 A C 2.034 179.584 177.584 -0.056 0.000 1.169 4578 A CA 1.326 53.324 52.037 -0.067 0.000 0.635 4578 A CB -0.369 18.580 19.000 -0.085 0.000 0.810 4578 A HN 0.235 nan 8.150 nan 0.000 0.445 4579 R N -0.477 119.985 120.500 -0.062 0.000 2.153 4579 R HA 0.140 4.482 4.340 0.004 0.000 0.218 4579 R C 1.874 178.135 176.300 -0.064 0.000 1.072 4579 R CA 0.767 56.830 56.100 -0.060 0.000 0.990 4579 R CB -0.727 29.526 30.300 -0.078 0.000 0.889 4579 R HN 0.638 nan 8.270 nan 0.000 0.452 4580 I N 1.494 122.023 120.570 -0.068 0.000 2.286 4580 I HA -0.265 3.908 4.170 0.004 0.000 0.248 4580 I C 1.598 177.684 176.117 -0.051 0.000 1.115 4580 I CA 1.037 62.298 61.300 -0.065 0.000 1.392 4580 I CB -0.235 37.725 38.000 -0.067 0.000 1.065 4580 I HN 0.055 nan 8.210 nan 0.000 0.418 4581 L N -1.422 119.774 121.223 -0.044 0.000 2.599 4581 L HA 0.425 4.767 4.340 0.004 0.000 0.230 4581 L C 0.635 177.487 176.870 -0.031 0.000 1.141 4581 L CA 0.267 55.086 54.840 -0.035 0.000 0.877 4581 L CB -1.140 40.901 42.059 -0.031 0.000 1.009 4581 L HN 0.027 nan 8.230 nan 0.000 0.447 4582 A N 0.000 122.800 122.820 -0.034 0.000 2.254 4582 A HA 0.000 4.322 4.320 0.004 0.000 0.244 4582 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 4582 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 4582 A HN 0.000 nan 8.150 nan 0.000 0.486