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 3izi_1_F DATA FIRST_RESID 2566 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI AAIAALSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE 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 2566 V HA 0.000 nan 4.120 nan 0.000 0.244 2566 V C 0.000 176.094 176.094 0.000 0.000 1.182 2566 V CA 0.000 62.300 62.300 0.000 0.000 1.235 2566 V CB 0.000 31.825 31.823 0.003 0.000 1.184 2567 L N 3.841 125.063 121.223 -0.002 0.000 2.312 2567 L HA 0.625 4.964 4.340 -0.001 0.000 0.281 2567 L C -2.015 174.851 176.870 -0.006 0.000 1.070 2567 L CA -1.442 53.396 54.840 -0.003 0.000 0.805 2567 L CB 0.251 42.306 42.059 -0.007 0.000 1.174 2567 L HN 0.170 nan 8.230 nan 0.000 0.434 2568 P HA 0.067 nan 4.420 nan 0.000 0.272 2568 P C -0.635 176.660 177.300 -0.010 0.000 1.223 2568 P CA -0.571 62.526 63.100 -0.006 0.000 0.784 2568 P CB 0.578 32.276 31.700 -0.004 0.000 0.923 2569 E N 1.882 122.076 120.200 -0.010 0.000 2.415 2569 E HA -0.042 4.308 4.350 -0.001 0.000 0.260 2569 E C 0.627 177.220 176.600 -0.013 0.000 1.016 2569 E CA 0.811 57.203 56.400 -0.012 0.000 0.924 2569 E CB -0.439 29.255 29.700 -0.010 0.000 0.961 2569 E HN 0.610 nan 8.360 nan 0.000 0.459 2570 N N 2.357 121.046 118.700 -0.017 0.000 2.990 2570 N HA -0.200 4.540 4.740 -0.001 0.000 0.163 2570 N C -0.634 174.865 175.510 -0.019 0.000 1.452 2570 N CA 0.872 53.911 53.050 -0.017 0.000 1.624 2570 N CB -1.140 37.341 38.487 -0.011 0.000 1.088 2570 N HN 0.483 nan 8.380 nan 0.000 0.695 2571 M N 2.607 122.197 119.600 -0.017 0.000 2.238 2571 M HA 0.259 4.738 4.480 -0.001 0.000 0.350 2571 M C -0.419 175.859 176.300 -0.037 0.000 1.321 2571 M CA 0.495 55.786 55.300 -0.015 0.000 1.097 2571 M CB 0.556 33.152 32.600 -0.007 0.000 1.713 2571 M HN 0.055 nan 8.290 nan 0.000 0.455 2572 K N 4.213 124.589 120.400 -0.040 0.000 2.143 2572 K HA 0.512 4.832 4.320 -0.001 0.000 0.272 2572 K C -0.639 175.871 176.600 -0.150 0.000 1.001 2572 K CA -0.664 55.545 56.287 -0.130 0.000 0.915 2572 K CB 1.422 33.841 32.500 -0.135 0.000 1.047 2572 K HN 0.635 nan 8.250 nan 0.000 0.458 2573 R N 2.451 122.779 120.500 -0.287 0.000 2.628 2573 R HA 0.320 4.660 4.340 -0.001 0.000 0.288 2573 R C -1.601 174.483 176.300 -0.359 0.000 0.980 2573 R CA -0.587 55.399 56.100 -0.191 0.000 0.891 2573 R CB 0.950 31.200 30.300 -0.083 0.000 1.188 2573 R HN 0.534 nan 8.270 nan 0.000 0.450 2574 Y N 4.574 124.885 120.300 0.018 0.000 2.446 2574 Y HA 0.547 5.096 4.550 -0.001 0.000 0.345 2574 Y C 0.262 176.168 175.900 0.010 0.000 0.984 2574 Y CA -0.893 57.217 58.100 0.016 0.000 1.058 2574 Y CB 2.210 40.684 38.460 0.024 0.000 1.220 2574 Y HN 0.404 nan 8.280 nan 0.000 0.455 2575 M N 1.104 120.788 119.600 0.140 0.000 2.534 2575 M HA 0.754 5.234 4.480 -0.001 0.000 0.280 2575 M C 0.041 176.375 176.300 0.057 0.000 1.217 2575 M CA -0.202 55.145 55.300 0.078 0.000 0.893 2575 M CB 1.312 33.937 32.600 0.042 0.000 1.730 2575 M HN 0.846 nan 8.290 nan 0.000 0.483 2576 G N 3.041 111.861 108.800 0.034 0.000 2.622 2576 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.307 2576 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.307 2576 G C 0.509 175.415 174.900 0.010 0.000 1.226 2576 G CA 1.522 46.628 45.100 0.010 0.000 0.997 2576 G HN 1.173 nan 8.290 nan 0.000 0.551 2577 R N 1.029 121.532 120.500 0.005 0.000 2.159 2577 R HA -0.004 4.335 4.340 -0.001 0.000 0.237 2577 R C 2.129 178.448 176.300 0.031 0.000 1.131 2577 R CA 2.631 58.734 56.100 0.005 0.000 0.982 2577 R CB -0.622 29.678 30.300 0.001 0.000 0.868 2577 R HN 0.603 nan 8.270 nan 0.000 0.453 2578 D N -0.422 120.019 120.400 0.067 0.000 2.162 2578 D HA -0.012 4.628 4.640 -0.001 0.000 0.203 2578 D C 1.619 178.016 176.300 0.161 0.000 0.967 2578 D CA 1.380 55.464 54.000 0.141 0.000 0.840 2578 D CB -0.139 40.773 40.800 0.187 0.000 0.972 2578 D HN 0.354 nan 8.370 nan 0.000 0.482 2579 A N 1.095 123.995 122.820 0.133 0.000 1.930 2579 A HA -0.174 4.146 4.320 -0.001 0.000 0.217 2579 A C 2.146 179.723 177.584 -0.012 0.000 1.175 2579 A CA 1.154 53.241 52.037 0.085 0.000 0.627 2579 A CB -0.235 18.816 19.000 0.086 0.000 0.815 2579 A HN 0.064 nan 8.150 nan 0.000 0.443 2580 Q N -0.703 119.094 119.800 -0.006 0.000 2.062 2580 Q HA -0.098 4.241 4.340 -0.001 0.000 0.196 2580 Q C 2.276 178.250 176.000 -0.043 0.000 0.967 2580 Q CA 1.376 57.163 55.803 -0.026 0.000 0.832 2580 Q CB -0.412 28.313 28.738 -0.022 0.000 0.899 2580 Q HN 0.750 nan 8.270 nan 0.000 0.442 2581 R N 0.296 120.776 120.500 -0.033 0.000 2.083 2581 R HA -0.109 4.231 4.340 -0.001 0.000 0.237 2581 R C 2.285 178.522 176.300 -0.105 0.000 1.137 2581 R CA 1.366 57.439 56.100 -0.044 0.000 0.951 2581 R CB -0.175 30.119 30.300 -0.010 0.000 0.851 2581 R HN 0.184 nan 8.270 nan 0.000 0.434 2582 M N 1.032 120.538 119.600 -0.157 0.000 2.086 2582 M HA -0.162 4.318 4.480 -0.001 0.000 0.261 2582 M C 1.155 177.249 176.300 -0.344 0.000 1.067 2582 M CA 1.813 56.910 55.300 -0.338 0.000 1.116 2582 M CB -0.768 31.400 32.600 -0.720 0.000 1.348 2582 M HN 0.135 nan 8.290 nan 0.000 0.407 2583 N N 0.863 119.425 118.700 -0.230 0.000 2.166 2583 N HA -0.079 4.660 4.740 -0.001 0.000 0.186 2583 N C 1.809 177.234 175.510 -0.141 0.000 1.019 2583 N CA 1.438 54.388 53.050 -0.166 0.000 0.856 2583 N CB -0.463 37.972 38.487 -0.088 0.000 0.993 2583 N HN 0.482 nan 8.380 nan 0.000 0.426 2584 I N 0.128 120.629 120.570 -0.115 0.000 2.315 2584 I HA -0.197 3.973 4.170 -0.001 0.000 0.248 2584 I C 1.608 177.654 176.117 -0.117 0.000 1.117 2584 I CA 0.539 61.789 61.300 -0.084 0.000 1.404 2584 I CB -0.033 37.936 38.000 -0.051 0.000 1.071 2584 I HN 0.019 nan 8.210 nan 0.000 0.419 2585 L N 0.660 121.783 121.223 -0.167 0.000 2.093 2585 L HA -0.119 4.221 4.340 -0.001 0.000 0.208 2585 L C 2.662 179.377 176.870 -0.259 0.000 1.085 2585 L CA 1.968 56.695 54.840 -0.189 0.000 0.755 2585 L CB -1.264 40.674 42.059 -0.201 0.000 0.904 2585 L HN 0.183 nan 8.230 nan 0.000 0.435 2586 A N -0.625 121.957 122.820 -0.397 0.000 1.858 2586 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 2586 A C 2.409 179.900 177.584 -0.157 0.000 1.190 2586 A CA 1.722 53.517 52.037 -0.405 0.000 0.617 2586 A CB -1.342 17.405 19.000 -0.421 0.000 0.827 2586 A HN 0.419 nan 8.150 nan 0.000 0.443 2587 G N -0.927 107.801 108.800 -0.120 0.000 2.402 2587 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.216 2587 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.216 2587 G C 1.746 176.609 174.900 -0.060 0.000 1.162 2587 G CA 0.986 46.046 45.100 -0.066 0.000 0.777 2587 G HN 0.551 nan 8.290 nan 0.000 0.539 2588 R N 0.003 120.460 120.500 -0.072 0.000 2.075 2588 R HA 0.065 4.404 4.340 -0.001 0.000 0.232 2588 R C 2.507 178.776 176.300 -0.052 0.000 1.126 2588 R CA 1.042 57.106 56.100 -0.059 0.000 0.963 2588 R CB -0.311 29.953 30.300 -0.058 0.000 0.858 2588 R HN 0.406 nan 8.270 nan 0.000 0.435 2589 I N 0.780 121.314 120.570 -0.060 0.000 2.226 2589 I HA -0.288 3.881 4.170 -0.001 0.000 0.245 2589 I C 2.071 178.172 176.117 -0.026 0.000 1.100 2589 I CA 0.823 62.099 61.300 -0.039 0.000 1.374 2589 I CB -0.190 37.789 38.000 -0.036 0.000 1.057 2589 I HN 0.213 nan 8.210 nan 0.000 0.413 2590 I N 1.063 121.617 120.570 -0.026 0.000 2.179 2590 I HA -0.265 3.905 4.170 -0.001 0.000 0.242 2590 I C 2.831 178.934 176.117 -0.023 0.000 1.088 2590 I CA 1.776 63.066 61.300 -0.017 0.000 1.357 2590 I CB -1.506 36.486 38.000 -0.013 0.000 1.051 2590 I HN 0.186 nan 8.210 nan 0.000 0.409 2591 A N 0.156 122.957 122.820 -0.032 0.000 1.969 2591 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 2591 A C 2.170 179.733 177.584 -0.035 0.000 1.169 2591 A CA 1.173 53.188 52.037 -0.037 0.000 0.635 2591 A CB -0.373 18.600 19.000 -0.045 0.000 0.810 2591 A HN 0.338 nan 8.150 nan 0.000 0.445 2592 E N -0.297 119.883 120.200 -0.033 0.000 2.110 2592 E HA -0.112 4.238 4.350 -0.001 0.000 0.193 2592 E C 2.085 178.669 176.600 -0.025 0.000 0.988 2592 E CA 1.700 58.082 56.400 -0.030 0.000 0.804 2592 E CB -0.609 29.074 29.700 -0.028 0.000 0.745 2592 E HN 0.600 nan 8.360 nan 0.000 0.458 2593 T N 0.743 115.284 114.554 -0.022 0.000 2.770 2593 T HA -0.048 4.302 4.350 -0.001 0.000 0.263 2593 T C 2.122 176.809 174.700 -0.020 0.000 1.039 2593 T CA 0.972 63.061 62.100 -0.018 0.000 1.142 2593 T CB -0.099 68.762 68.868 -0.012 0.000 0.868 2593 T HN -0.036 nan 8.240 nan 0.000 0.435 2594 V N 2.761 122.662 119.914 -0.022 0.000 2.548 2594 V HA -0.113 4.007 4.120 -0.001 0.000 0.249 2594 V C 2.630 178.707 176.094 -0.028 0.000 1.055 2594 V CA 1.504 63.791 62.300 -0.023 0.000 1.065 2594 V CB -0.679 31.130 31.823 -0.023 0.000 0.681 2594 V HN 0.522 nan 8.190 nan 0.000 0.462 2595 R N 1.662 122.143 120.500 -0.033 0.000 2.200 2595 R HA -0.142 4.198 4.340 -0.001 0.000 0.234 2595 R C 2.065 178.342 176.300 -0.037 0.000 1.127 2595 R CA 1.731 57.808 56.100 -0.038 0.000 0.989 2595 R CB -0.884 29.391 30.300 -0.042 0.000 0.869 2595 R HN 0.598 nan 8.270 nan 0.000 0.459 2596 S N 0.287 115.968 115.700 -0.033 0.000 2.555 2596 S HA -0.078 4.392 4.470 -0.001 0.000 0.230 2596 S C 1.699 176.279 174.600 -0.033 0.000 0.978 2596 S CA 0.824 59.004 58.200 -0.033 0.000 0.934 2596 S CB -0.063 63.120 63.200 -0.028 0.000 0.766 2596 S HN 0.587 nan 8.310 nan 0.000 0.533 2597 T N -1.035 113.501 114.554 -0.030 0.000 3.060 2597 T HA 0.333 4.683 4.350 -0.001 0.000 0.249 2597 T C 0.375 175.057 174.700 -0.031 0.000 1.079 2597 T CA -0.496 61.587 62.100 -0.028 0.000 1.013 2597 T CB -0.446 68.409 68.868 -0.021 0.000 0.975 2597 T HN 0.279 nan 8.240 nan 0.000 0.518 2598 L N 2.850 124.051 121.223 -0.036 0.000 2.462 2598 L HA 0.523 4.862 4.340 -0.001 0.000 0.272 2598 L C 0.702 177.543 176.870 -0.048 0.000 1.166 2598 L CA 1.595 56.412 54.840 -0.039 0.000 0.880 2598 L CB -0.668 41.365 42.059 -0.044 0.000 1.142 2598 L HN 0.702 nan 8.230 nan 0.000 0.473 2599 G N 4.047 112.822 108.800 -0.042 0.000 2.663 2599 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.686 2599 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.686 2599 G C -2.116 172.745 174.900 -0.064 0.000 1.288 2599 G CA -0.455 44.612 45.100 -0.055 0.000 0.836 2599 G HN 0.482 nan 8.290 nan 0.000 0.584 2600 P HA -0.009 nan 4.420 nan 0.000 0.219 2600 P C 1.370 178.555 177.300 -0.193 0.000 1.146 2600 P CA 1.478 64.509 63.100 -0.115 0.000 0.808 2600 P CB 0.053 31.605 31.700 -0.247 0.000 0.779 2601 K N -0.782 119.480 120.400 -0.230 0.000 2.437 2601 K HA 0.266 4.585 4.320 -0.001 0.000 0.205 2601 K C 0.932 177.470 176.600 -0.103 0.000 1.026 2601 K CA -0.204 55.974 56.287 -0.181 0.000 1.153 2601 K CB -0.302 32.070 32.500 -0.214 0.000 0.863 2601 K HN 0.016 nan 8.250 nan 0.000 0.502 2602 G N 0.526 109.278 108.800 -0.079 0.000 2.594 2602 G HA2 0.167 4.126 3.960 -0.001 0.000 0.243 2602 G HA3 0.167 4.126 3.960 -0.001 0.000 0.243 2602 G C 0.037 174.913 174.900 -0.040 0.000 1.229 2602 G CA -0.384 44.684 45.100 -0.053 0.000 0.843 2602 G HN -0.021 nan 8.290 nan 0.000 0.578 2603 M N 0.073 119.653 119.600 -0.033 0.000 2.705 2603 M HA 0.401 4.880 4.480 -0.001 0.000 0.272 2603 M C -0.481 175.806 176.300 -0.021 0.000 1.172 2603 M CA -0.576 54.708 55.300 -0.026 0.000 0.901 2603 M CB 1.233 33.817 32.600 -0.027 0.000 1.516 2603 M HN 0.344 nan 8.290 nan 0.000 0.530 2604 D N 0.555 120.944 120.400 -0.019 0.000 2.326 2604 D HA 0.473 5.113 4.640 -0.001 0.000 0.248 2604 D C -0.532 175.757 176.300 -0.019 0.000 1.001 2604 D CA -0.335 53.655 54.000 -0.017 0.000 0.961 2604 D CB 1.271 42.061 40.800 -0.017 0.000 1.183 2604 D HN 0.089 nan 8.370 nan 0.000 0.502 2605 K N 0.777 121.165 120.400 -0.019 0.000 2.259 2605 K HA 0.433 4.753 4.320 -0.001 0.000 0.252 2605 K C -0.579 176.007 176.600 -0.024 0.000 0.936 2605 K CA -0.651 55.624 56.287 -0.019 0.000 0.810 2605 K CB 2.309 34.800 32.500 -0.015 0.000 1.143 2605 K HN 0.428 nan 8.250 nan 0.000 0.427 2606 M N 4.051 123.636 119.600 -0.026 0.000 2.036 2606 M HA 0.262 4.742 4.480 -0.001 0.000 0.337 2606 M C -1.545 174.740 176.300 -0.026 0.000 1.012 2606 M CA -0.923 54.357 55.300 -0.033 0.000 0.962 2606 M CB 0.315 32.894 32.600 -0.036 0.000 1.423 2606 M HN 0.333 nan 8.290 nan 0.000 0.405 2607 L N 5.967 127.175 121.223 -0.025 0.000 2.265 2607 L HA 0.493 4.833 4.340 -0.001 0.000 0.289 2607 L C -0.820 176.041 176.870 -0.016 0.000 1.033 2607 L CA -0.236 54.594 54.840 -0.016 0.000 0.814 2607 L CB 1.665 43.718 42.059 -0.010 0.000 1.203 2607 L HN 0.415 nan 8.230 nan 0.000 0.423 2608 V N 2.954 122.861 119.914 -0.012 0.000 2.384 2608 V HA 0.363 4.483 4.120 -0.001 0.000 0.287 2608 V C -0.197 175.894 176.094 -0.004 0.000 1.020 2608 V CA -0.947 61.347 62.300 -0.010 0.000 0.850 2608 V CB 1.523 33.339 31.823 -0.011 0.000 0.987 2608 V HN 0.789 nan 8.190 nan 0.000 0.436 2609 D N 2.374 122.774 120.400 0.000 0.000 2.447 2609 D HA 0.055 4.694 4.640 -0.001 0.000 0.265 2609 D C 0.889 177.190 176.300 0.002 0.000 1.250 2609 D CA -0.473 53.528 54.000 0.002 0.000 1.046 2609 D CB 0.645 41.448 40.800 0.006 0.000 1.095 2609 D HN 0.429 nan 8.370 nan 0.000 0.555 2610 D N -1.691 118.710 120.400 0.002 0.000 2.219 2610 D HA -0.100 4.540 4.640 -0.001 0.000 0.205 2610 D C 1.495 177.797 176.300 0.003 0.000 0.970 2610 D CA 0.686 54.687 54.000 0.002 0.000 0.851 2610 D CB 0.005 40.806 40.800 0.001 0.000 0.943 2610 D HN 0.193 nan 8.370 nan 0.000 0.488 2611 L N -1.098 120.128 121.223 0.005 0.000 2.558 2611 L HA 0.346 4.686 4.340 -0.001 0.000 0.225 2611 L C 2.043 178.918 176.870 0.008 0.000 1.128 2611 L CA 0.974 55.818 54.840 0.007 0.000 0.868 2611 L CB 0.131 42.195 42.059 0.008 0.000 1.006 2611 L HN 0.276 nan 8.230 nan 0.000 0.454 2612 G N -1.498 107.306 108.800 0.007 0.000 2.213 2612 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.226 2612 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.226 2612 G C 0.321 175.228 174.900 0.011 0.000 0.992 2612 G CA 0.114 45.218 45.100 0.007 0.000 0.632 2612 G HN 0.333 nan 8.290 nan 0.000 0.511 2613 D N 0.950 121.360 120.400 0.017 0.000 2.401 2613 D HA 0.414 5.054 4.640 -0.001 0.000 0.254 2613 D C 0.258 176.569 176.300 0.019 0.000 1.192 2613 D CA 0.503 54.521 54.000 0.029 0.000 0.885 2613 D CB 1.316 42.137 40.800 0.034 0.000 1.147 2613 D HN 0.587 nan 8.370 nan 0.000 0.478 2614 V N 4.887 124.808 119.914 0.012 0.000 2.555 2614 V HA 0.607 4.727 4.120 -0.001 0.000 0.302 2614 V C -1.054 175.013 176.094 -0.044 0.000 1.038 2614 V CA -0.638 61.647 62.300 -0.025 0.000 0.887 2614 V CB 1.905 33.695 31.823 -0.055 0.000 0.991 2614 V HN 0.344 nan 8.190 nan 0.000 0.434 2615 V N 6.929 126.821 119.914 -0.038 0.000 2.604 2615 V HA 0.710 4.830 4.120 -0.001 0.000 0.305 2615 V C -0.894 175.168 176.094 -0.053 0.000 1.043 2615 V CA -0.232 62.048 62.300 -0.032 0.000 0.888 2615 V CB 2.272 34.105 31.823 0.016 0.000 0.995 2615 V HN 0.786 nan 8.190 nan 0.000 0.429 2616 V N 5.852 125.726 119.914 -0.067 0.000 2.417 2616 V HA 0.789 4.908 4.120 -0.001 0.000 0.291 2616 V C 0.089 176.172 176.094 -0.018 0.000 1.024 2616 V CA 0.019 62.288 62.300 -0.052 0.000 0.861 2616 V CB 1.594 33.372 31.823 -0.075 0.000 0.985 2616 V HN 1.074 nan 8.190 nan 0.000 0.436 2617 T N 2.595 117.141 114.554 -0.013 0.000 2.769 2617 T HA 0.312 4.662 4.350 -0.001 0.000 0.306 2617 T C 0.071 174.768 174.700 -0.006 0.000 1.400 2617 T CA -0.360 61.738 62.100 -0.003 0.000 1.007 2617 T CB 1.996 70.865 68.868 0.003 0.000 1.392 2617 T HN 0.656 nan 8.240 nan 0.000 0.500 2618 N N 0.807 119.506 118.700 -0.002 0.000 2.210 2618 N HA 0.081 4.821 4.740 -0.001 0.000 0.203 2618 N C -0.313 175.194 175.510 -0.004 0.000 1.175 2618 N CA 0.014 53.061 53.050 -0.005 0.000 0.894 2618 N CB 0.471 38.956 38.487 -0.004 0.000 1.041 2618 N HN 0.693 nan 8.380 nan 0.000 0.506 2619 D N -0.102 120.298 120.400 -0.001 0.000 2.401 2619 D HA 0.186 4.826 4.640 -0.001 0.000 0.254 2619 D C 1.497 177.795 176.300 -0.003 0.000 1.192 2619 D CA 0.290 54.290 54.000 -0.000 0.000 0.885 2619 D CB 1.013 41.815 40.800 0.004 0.000 1.147 2619 D HN 0.269 nan 8.370 nan 0.000 0.478 2620 G N 2.611 111.409 108.800 -0.005 0.000 2.440 2620 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.218 2620 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.218 2620 G C 1.513 176.411 174.900 -0.004 0.000 1.154 2620 G CA 0.732 45.828 45.100 -0.007 0.000 0.767 2620 G HN 0.488 nan 8.290 nan 0.000 0.552 2621 V N 0.823 120.736 119.914 -0.002 0.000 2.270 2621 V HA -0.171 3.949 4.120 -0.001 0.000 0.245 2621 V C 3.179 179.274 176.094 0.001 0.000 1.043 2621 V CA 2.384 64.684 62.300 0.000 0.000 1.014 2621 V CB -0.906 30.918 31.823 0.001 0.000 0.645 2621 V HN 0.401 nan 8.190 nan 0.000 0.447 2622 T N 0.387 114.943 114.554 0.002 0.000 2.720 2622 T HA -0.182 4.168 4.350 -0.001 0.000 0.268 2622 T C 1.795 176.496 174.700 0.002 0.000 1.037 2622 T CA 1.949 64.052 62.100 0.004 0.000 1.144 2622 T CB -0.312 68.559 68.868 0.006 0.000 0.864 2622 T HN 0.338 nan 8.240 nan 0.000 0.444 2623 I N 0.248 120.818 120.570 -0.000 0.000 2.179 2623 I HA -0.137 4.032 4.170 -0.001 0.000 0.242 2623 I C 2.112 178.229 176.117 -0.000 0.000 1.088 2623 I CA 1.006 62.305 61.300 -0.002 0.000 1.357 2623 I CB -0.281 37.716 38.000 -0.005 0.000 1.051 2623 I HN 0.156 nan 8.210 nan 0.000 0.409 2624 L N 0.169 121.392 121.223 0.000 0.000 2.156 2624 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 2624 L C 2.491 179.363 176.870 0.003 0.000 1.095 2624 L CA 1.493 56.335 54.840 0.002 0.000 0.770 2624 L CB -0.956 41.104 42.059 0.001 0.000 0.914 2624 L HN 0.151 nan 8.230 nan 0.000 0.439 2625 R N -0.106 120.395 120.500 0.003 0.000 2.066 2625 R HA -0.106 4.234 4.340 -0.001 0.000 0.232 2625 R C 1.922 178.224 176.300 0.004 0.000 1.131 2625 R CA 1.236 57.338 56.100 0.004 0.000 0.955 2625 R CB 0.046 30.348 30.300 0.004 0.000 0.851 2625 R HN 0.319 nan 8.270 nan 0.000 0.432 2626 E N 1.039 121.241 120.200 0.003 0.000 2.112 2626 E HA -0.074 4.275 4.350 -0.001 0.000 0.190 2626 E C 1.207 177.809 176.600 0.002 0.000 0.979 2626 E CA 0.535 56.937 56.400 0.004 0.000 0.814 2626 E CB -0.354 29.348 29.700 0.004 0.000 0.762 2626 E HN 0.462 nan 8.360 nan 0.000 0.460 2627 M N 0.714 120.316 119.600 0.002 0.000 2.252 2627 M HA 0.098 4.577 4.480 -0.001 0.000 0.333 2627 M C 0.208 176.509 176.300 0.002 0.000 1.111 2627 M CA 0.141 55.442 55.300 0.002 0.000 1.140 2627 M CB 0.433 33.034 32.600 0.002 0.000 1.538 2627 M HN -0.230 nan 8.290 nan 0.000 0.448 2628 S N 2.356 118.056 115.700 0.000 0.000 2.955 2628 S HA 0.468 4.938 4.470 -0.001 0.000 0.294 2628 S C -0.254 174.344 174.600 -0.003 0.000 1.198 2628 S CA -1.001 57.197 58.200 -0.002 0.000 1.008 2628 S CB -0.355 62.842 63.200 -0.005 0.000 1.279 2628 S HN 0.570 nan 8.310 nan 0.000 0.508 2629 V N 3.391 123.305 119.914 0.000 0.000 2.686 2629 V HA 0.215 4.334 4.120 -0.001 0.000 0.295 2629 V C 1.394 177.478 176.094 -0.016 0.000 1.055 2629 V CA -0.101 62.202 62.300 0.005 0.000 1.050 2629 V CB 1.269 33.103 31.823 0.018 0.000 0.984 2629 V HN 0.874 nan 8.190 nan 0.000 0.482 2630 E N 1.935 122.108 120.200 -0.045 0.000 2.256 2630 E HA 0.034 4.384 4.350 -0.001 0.000 0.198 2630 E C 0.458 176.968 176.600 -0.150 0.000 0.908 2630 E CA 0.194 56.518 56.400 -0.127 0.000 0.915 2630 E CB 0.298 29.863 29.700 -0.224 0.000 0.890 2630 E HN 0.743 nan 8.360 nan 0.000 0.484 2631 H N 1.674 120.733 119.070 -0.019 0.000 2.848 2631 H HA 0.074 4.630 4.556 -0.000 0.000 0.317 2631 H C -1.676 173.637 175.328 -0.026 0.000 1.046 2631 H CA -1.216 54.810 56.048 -0.036 0.000 1.470 2631 H CB 1.138 30.865 29.762 -0.059 0.000 1.483 2631 H HN 0.082 nan 8.280 nan 0.000 0.548 2632 P HA -0.133 nan 4.420 nan 0.000 0.218 2632 P C 1.334 178.660 177.300 0.042 0.000 1.148 2632 P CA 1.493 64.622 63.100 0.048 0.000 0.822 2632 P CB 0.269 31.993 31.700 0.039 0.000 0.784 2633 A N 0.244 123.089 122.820 0.043 0.000 1.902 2633 A HA -0.136 4.184 4.320 -0.001 0.000 0.217 2633 A C 2.331 179.923 177.584 0.013 0.000 1.181 2633 A CA 2.155 54.198 52.037 0.011 0.000 0.623 2633 A CB -1.602 17.379 19.000 -0.032 0.000 0.818 2633 A HN 0.203 nan 8.150 nan 0.000 0.443 2634 A N -0.279 122.561 122.820 0.033 0.000 1.933 2634 A HA -0.140 4.180 4.320 -0.001 0.000 0.218 2634 A C 2.070 179.669 177.584 0.025 0.000 1.175 2634 A CA 1.732 53.786 52.037 0.028 0.000 0.628 2634 A CB -0.408 18.625 19.000 0.055 0.000 0.814 2634 A HN 0.555 nan 8.150 nan 0.000 0.444 2635 K N -0.994 119.424 120.400 0.031 0.000 2.147 2635 K HA -0.066 4.254 4.320 -0.001 0.000 0.205 2635 K C 1.830 178.440 176.600 0.017 0.000 1.049 2635 K CA 1.329 57.629 56.287 0.021 0.000 0.936 2635 K CB -0.186 32.327 32.500 0.021 0.000 0.722 2635 K HN 0.376 nan 8.250 nan 0.000 0.446 2636 M N 0.344 119.955 119.600 0.017 0.000 2.334 2636 M HA -0.026 4.454 4.480 -0.001 0.000 0.266 2636 M C 2.136 178.443 176.300 0.013 0.000 1.082 2636 M CA 1.027 56.336 55.300 0.015 0.000 1.141 2636 M CB -0.606 32.004 32.600 0.017 0.000 1.380 2636 M HN 0.183 nan 8.290 nan 0.000 0.440 2637 L N 0.334 121.563 121.223 0.010 0.000 2.083 2637 L HA -0.198 4.141 4.340 -0.001 0.000 0.209 2637 L C 2.217 179.090 176.870 0.005 0.000 1.083 2637 L CA 1.039 55.882 54.840 0.006 0.000 0.752 2637 L CB -0.198 41.861 42.059 -0.001 0.000 0.899 2637 L HN 0.181 nan 8.230 nan 0.000 0.433 2638 I N -0.318 120.256 120.570 0.006 0.000 2.335 2638 I HA -0.307 3.863 4.170 -0.001 0.000 0.251 2638 I C 2.368 178.488 176.117 0.005 0.000 1.129 2638 I CA 1.038 62.341 61.300 0.005 0.000 1.402 2638 I CB -0.341 37.664 38.000 0.007 0.000 1.069 2638 I HN 0.305 nan 8.210 nan 0.000 0.424 2639 E N 0.395 120.599 120.200 0.008 0.000 2.204 2639 E HA -0.152 4.197 4.350 -0.001 0.000 0.195 2639 E C 2.401 179.006 176.600 0.007 0.000 0.990 2639 E CA 1.062 57.467 56.400 0.008 0.000 0.821 2639 E CB -0.208 29.498 29.700 0.010 0.000 0.750 2639 E HN 0.384 nan 8.360 nan 0.000 0.477 2640 V N 1.490 121.408 119.914 0.007 0.000 2.307 2640 V HA -0.220 3.900 4.120 -0.001 0.000 0.245 2640 V C 2.480 178.575 176.094 0.002 0.000 1.045 2640 V CA 1.756 64.059 62.300 0.006 0.000 1.024 2640 V CB -0.854 30.972 31.823 0.005 0.000 0.651 2640 V HN 0.241 nan 8.190 nan 0.000 0.449 2641 A N -0.285 122.535 122.820 0.000 0.000 1.940 2641 A HA -0.248 4.072 4.320 -0.001 0.000 0.219 2641 A C 2.295 179.879 177.584 0.001 0.000 1.176 2641 A CA 2.030 54.067 52.037 -0.001 0.000 0.631 2641 A CB -0.416 18.583 19.000 -0.002 0.000 0.814 2641 A HN 0.557 nan 8.150 nan 0.000 0.446 2642 K N -1.608 118.794 120.400 0.002 0.000 2.062 2642 K HA -0.082 4.238 4.320 -0.001 0.000 0.205 2642 K C 2.137 178.739 176.600 0.003 0.000 1.051 2642 K CA 1.534 57.823 56.287 0.003 0.000 0.941 2642 K CB -0.367 32.135 32.500 0.004 0.000 0.719 2642 K HN 0.422 nan 8.250 nan 0.000 0.440 2643 T N 0.774 115.330 114.554 0.004 0.000 2.995 2643 T HA -0.073 4.277 4.350 -0.001 0.000 0.269 2643 T C 1.774 176.476 174.700 0.004 0.000 1.091 2643 T CA 0.807 62.910 62.100 0.004 0.000 1.128 2643 T CB 0.067 68.938 68.868 0.006 0.000 0.891 2643 T HN 0.085 nan 8.240 nan 0.000 0.492 2644 Q N 0.958 120.760 119.800 0.003 0.000 2.020 2644 Q HA -0.046 4.293 4.340 -0.001 0.000 0.202 2644 Q C 2.301 178.302 176.000 0.001 0.000 0.982 2644 Q CA 1.237 57.041 55.803 0.001 0.000 0.838 2644 Q CB -0.484 28.253 28.738 -0.001 0.000 0.899 2644 Q HN 0.538 nan 8.270 nan 0.000 0.423 2645 E N 0.904 121.105 120.200 0.001 0.000 2.106 2645 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 2645 E C 1.721 178.322 176.600 0.002 0.000 0.984 2645 E CA 0.954 57.355 56.400 0.002 0.000 0.806 2645 E CB 0.229 29.930 29.700 0.002 0.000 0.750 2645 E HN 0.282 nan 8.360 nan 0.000 0.458 2646 K N 0.075 120.476 120.400 0.002 0.000 2.076 2646 K HA -0.128 4.192 4.320 -0.001 0.000 0.204 2646 K C 2.155 178.756 176.600 0.002 0.000 1.051 2646 K CA 1.188 57.476 56.287 0.002 0.000 0.949 2646 K CB -0.013 32.488 32.500 0.002 0.000 0.726 2646 K HN -0.088 nan 8.250 nan 0.000 0.443 2647 E N 0.337 120.538 120.200 0.002 0.000 2.060 2647 E HA -0.097 4.253 4.350 -0.001 0.000 0.189 2647 E C 1.595 178.196 176.600 0.002 0.000 0.974 2647 E CA 1.104 57.505 56.400 0.003 0.000 0.808 2647 E CB 0.515 30.217 29.700 0.003 0.000 0.768 2647 E HN 0.161 nan 8.360 nan 0.000 0.453 2648 V N -4.945 114.971 119.914 0.002 0.000 3.497 2648 V HA 0.586 4.705 4.120 -0.001 0.000 0.272 2648 V C 1.390 177.485 176.094 0.003 0.000 1.474 2648 V CA 0.743 63.044 62.300 0.003 0.000 1.025 2648 V CB 0.494 32.319 31.823 0.003 0.000 0.820 2648 V HN 0.304 nan 8.190 nan 0.000 0.437 2649 G N 0.692 109.493 108.800 0.002 0.000 3.586 2649 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.212 2649 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.212 2649 G C 0.203 175.104 174.900 0.002 0.000 1.411 2649 G CA 0.498 45.600 45.100 0.003 0.000 0.898 2649 G HN 0.628 nan 8.290 nan 0.000 0.575 2650 D N 0.804 121.205 120.400 0.003 0.000 2.511 2650 D HA 0.495 5.134 4.640 -0.001 0.000 0.276 2650 D C 1.519 177.818 176.300 -0.001 0.000 1.220 2650 D CA 1.159 55.160 54.000 0.002 0.000 1.077 2650 D CB 0.656 41.458 40.800 0.004 0.000 1.126 2650 D HN 1.595 nan 8.370 nan 0.000 0.583 2651 G N -0.628 108.170 108.800 -0.004 0.000 2.143 2651 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.249 2651 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.249 2651 G C 1.037 175.930 174.900 -0.011 0.000 0.981 2651 G CA 1.480 46.575 45.100 -0.008 0.000 0.665 2651 G HN 0.593 nan 8.290 nan 0.000 0.528 2652 T N -2.056 112.493 114.554 -0.009 0.000 2.588 2652 T HA -0.150 4.200 4.350 -0.001 0.000 0.261 2652 T C 2.202 176.893 174.700 -0.016 0.000 1.069 2652 T CA 2.622 64.716 62.100 -0.010 0.000 1.172 2652 T CB -1.010 67.854 68.868 -0.007 0.000 0.863 2652 T HN 0.342 nan 8.240 nan 0.000 0.408 2653 T N 1.848 116.392 114.554 -0.017 0.000 2.635 2653 T HA -0.151 4.198 4.350 -0.001 0.000 0.267 2653 T C 2.275 176.956 174.700 -0.032 0.000 1.040 2653 T CA 2.089 64.175 62.100 -0.024 0.000 1.156 2653 T CB -1.241 67.612 68.868 -0.024 0.000 0.863 2653 T HN 0.567 nan 8.240 nan 0.000 0.430 2654 T N 1.998 116.533 114.554 -0.032 0.000 2.635 2654 T HA -0.160 4.189 4.350 -0.001 0.000 0.267 2654 T C 2.345 177.015 174.700 -0.050 0.000 1.040 2654 T CA 1.527 63.602 62.100 -0.042 0.000 1.156 2654 T CB -0.697 68.149 68.868 -0.036 0.000 0.863 2654 T HN 0.473 nan 8.240 nan 0.000 0.430 2655 A N 0.661 123.458 122.820 -0.038 0.000 1.933 2655 A HA -0.037 4.282 4.320 -0.001 0.000 0.218 2655 A C 2.600 180.159 177.584 -0.042 0.000 1.175 2655 A CA 1.436 53.450 52.037 -0.038 0.000 0.628 2655 A CB -0.904 18.084 19.000 -0.020 0.000 0.814 2655 A HN 0.377 nan 8.150 nan 0.000 0.444 2656 V N -0.509 119.384 119.914 -0.036 0.000 2.358 2656 V HA -0.196 3.924 4.120 -0.001 0.000 0.246 2656 V C 2.548 178.613 176.094 -0.048 0.000 1.047 2656 V CA 1.835 64.114 62.300 -0.035 0.000 1.035 2656 V CB -0.734 31.073 31.823 -0.026 0.000 0.658 2656 V HN 0.362 nan 8.190 nan 0.000 0.452 2657 V N 0.848 120.729 119.914 -0.055 0.000 2.295 2657 V HA -0.199 3.921 4.120 -0.001 0.000 0.246 2657 V C 2.581 178.622 176.094 -0.088 0.000 1.049 2657 V CA 2.185 64.446 62.300 -0.065 0.000 1.024 2657 V CB -0.539 31.246 31.823 -0.063 0.000 0.648 2657 V HN 0.564 nan 8.190 nan 0.000 0.447 2658 V N -0.955 118.893 119.914 -0.109 0.000 2.626 2658 V HA -0.064 4.056 4.120 -0.001 0.000 0.252 2658 V C 2.403 178.395 176.094 -0.170 0.000 1.067 2658 V CA 1.684 63.885 62.300 -0.165 0.000 1.081 2658 V CB -1.229 30.472 31.823 -0.203 0.000 0.686 2658 V HN 0.372 nan 8.190 nan 0.000 0.468 2659 A N 1.572 124.325 122.820 -0.111 0.000 1.873 2659 A HA 0.096 4.416 4.320 -0.001 0.000 0.215 2659 A C 2.396 179.942 177.584 -0.062 0.000 1.186 2659 A CA 1.854 53.846 52.037 -0.076 0.000 0.616 2659 A CB -1.481 17.495 19.000 -0.040 0.000 0.823 2659 A HN 0.670 nan 8.150 nan 0.000 0.442 2660 G N -0.741 108.022 108.800 -0.061 0.000 2.408 2660 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.217 2660 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.217 2660 G C 1.461 176.327 174.900 -0.057 0.000 1.150 2660 G CA 1.289 46.357 45.100 -0.052 0.000 0.776 2660 G HN 0.535 nan 8.290 nan 0.000 0.542 2661 E N 0.338 120.489 120.200 -0.082 0.000 2.072 2661 E HA 0.026 4.376 4.350 -0.001 0.000 0.191 2661 E C 2.527 179.071 176.600 -0.094 0.000 0.985 2661 E CA 0.513 56.859 56.400 -0.091 0.000 0.801 2661 E CB -0.366 29.262 29.700 -0.120 0.000 0.750 2661 E HN 0.418 nan 8.360 nan 0.000 0.452 2662 L N -0.081 121.058 121.223 -0.141 0.000 2.046 2662 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 2662 L C 2.423 179.327 176.870 0.056 0.000 1.077 2662 L CA 0.941 55.686 54.840 -0.158 0.000 0.747 2662 L CB -0.383 41.500 42.059 -0.293 0.000 0.896 2662 L HN 0.220 nan 8.230 nan 0.000 0.432 2663 L N -0.765 120.483 121.223 0.040 0.000 2.046 2663 L HA -0.219 4.121 4.340 -0.001 0.000 0.208 2663 L C 2.824 179.719 176.870 0.041 0.000 1.077 2663 L CA 1.124 56.001 54.840 0.061 0.000 0.747 2663 L CB -0.517 41.550 42.059 0.013 0.000 0.896 2663 L HN 0.256 nan 8.230 nan 0.000 0.432 2664 R N 0.347 120.853 120.500 0.010 0.000 2.083 2664 R HA -0.172 4.168 4.340 -0.001 0.000 0.237 2664 R C 2.286 178.603 176.300 0.029 0.000 1.137 2664 R CA 1.300 57.403 56.100 0.005 0.000 0.951 2664 R CB 0.053 30.344 30.300 -0.015 0.000 0.851 2664 R HN 0.148 nan 8.270 nan 0.000 0.434 2665 K N 0.225 120.654 120.400 0.050 0.000 2.148 2665 K HA -0.050 4.269 4.320 -0.001 0.000 0.204 2665 K C 1.944 178.625 176.600 0.134 0.000 1.050 2665 K CA 1.186 57.526 56.287 0.089 0.000 0.942 2665 K CB -0.328 32.233 32.500 0.102 0.000 0.724 2665 K HN 0.273 nan 8.250 nan 0.000 0.446 2666 A N 1.424 124.344 122.820 0.168 0.000 1.883 2666 A HA -0.225 4.095 4.320 -0.001 0.000 0.217 2666 A C 2.198 179.806 177.584 0.040 0.000 1.186 2666 A CA 1.916 54.028 52.037 0.126 0.000 0.624 2666 A CB -0.465 18.616 19.000 0.135 0.000 0.822 2666 A HN 0.456 nan 8.150 nan 0.000 0.444 2667 E N -0.470 119.748 120.200 0.030 0.000 2.106 2667 E HA -0.225 4.125 4.350 -0.001 0.000 0.192 2667 E C 2.003 178.608 176.600 0.008 0.000 0.984 2667 E CA 1.122 57.526 56.400 0.006 0.000 0.806 2667 E CB -0.149 29.551 29.700 0.001 0.000 0.750 2667 E HN 0.750 nan 8.360 nan 0.000 0.458 2668 E N -0.085 120.128 120.200 0.021 0.000 2.097 2668 E HA -0.235 4.115 4.350 -0.001 0.000 0.196 2668 E C 1.910 178.521 176.600 0.019 0.000 1.000 2668 E CA 1.142 57.554 56.400 0.021 0.000 0.804 2668 E CB 0.050 29.768 29.700 0.030 0.000 0.740 2668 E HN 0.209 nan 8.360 nan 0.000 0.454 2669 L N 0.277 121.516 121.223 0.025 0.000 2.109 2669 L HA -0.122 4.217 4.340 -0.001 0.000 0.207 2669 L C 2.261 179.126 176.870 -0.008 0.000 1.086 2669 L CA 0.962 55.811 54.840 0.015 0.000 0.760 2669 L CB -0.692 41.379 42.059 0.019 0.000 0.910 2669 L HN 0.233 nan 8.230 nan 0.000 0.437 2670 L N -0.653 120.557 121.223 -0.021 0.000 2.083 2670 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 2670 L C 2.120 178.971 176.870 -0.030 0.000 1.083 2670 L CA 1.649 56.462 54.840 -0.043 0.000 0.752 2670 L CB -0.826 41.202 42.059 -0.052 0.000 0.899 2670 L HN 0.280 nan 8.230 nan 0.000 0.433 2671 D N -1.813 118.578 120.400 -0.015 0.000 2.249 2671 D HA -0.110 4.530 4.640 -0.001 0.000 0.205 2671 D C 1.777 178.076 176.300 -0.003 0.000 0.962 2671 D CA 0.469 54.464 54.000 -0.009 0.000 0.860 2671 D CB 0.218 41.016 40.800 -0.004 0.000 0.955 2671 D HN 0.192 nan 8.370 nan 0.000 0.505 2672 Q N 0.142 119.942 119.800 0.001 0.000 2.373 2672 Q HA 0.060 4.399 4.340 -0.001 0.000 0.206 2672 Q C 0.004 176.008 176.000 0.007 0.000 0.942 2672 Q CA 0.132 55.939 55.803 0.006 0.000 0.953 2672 Q CB 0.204 28.949 28.738 0.012 0.000 1.022 2672 Q HN 0.252 nan 8.270 nan 0.000 0.502 2673 N N -0.855 117.847 118.700 0.003 0.000 2.861 2673 N HA -0.139 4.601 4.740 -0.001 0.000 0.247 2673 N C -1.582 173.939 175.510 0.019 0.000 1.117 2673 N CA 0.262 53.318 53.050 0.010 0.000 0.703 2673 N CB -1.071 37.424 38.487 0.013 0.000 1.052 2673 N HN -0.046 nan 8.380 nan 0.000 0.555 2674 V N 1.822 121.743 119.914 0.010 0.000 2.334 2674 V HA 0.231 4.350 4.120 -0.001 0.000 0.281 2674 V C 0.622 176.727 176.094 0.019 0.000 1.016 2674 V CA -0.870 61.441 62.300 0.019 0.000 0.832 2674 V CB 1.247 33.072 31.823 0.004 0.000 0.999 2674 V HN 0.306 nan 8.190 nan 0.000 0.439 2675 H N 7.783 126.833 119.070 -0.033 0.000 2.928 2675 H HA 0.098 4.653 4.556 -0.000 0.000 0.338 2675 H C -1.731 173.565 175.328 -0.053 0.000 1.047 2675 H CA -1.270 54.758 56.048 -0.035 0.000 1.435 2675 H CB 1.946 31.691 29.762 -0.029 0.000 1.428 2675 H HN 0.351 nan 8.280 nan 0.000 0.590 2676 P HA -0.188 nan 4.420 nan 0.000 0.217 2676 P C 1.402 178.729 177.300 0.045 0.000 1.148 2676 P CA 2.461 65.500 63.100 -0.102 0.000 0.834 2676 P CB 0.018 31.609 31.700 -0.182 0.000 0.783 2677 T N -4.097 110.634 114.554 0.295 0.000 2.995 2677 T HA -0.064 4.286 4.350 -0.001 0.000 0.269 2677 T C 1.624 176.347 174.700 0.039 0.000 1.091 2677 T CA 0.809 62.994 62.100 0.141 0.000 1.128 2677 T CB -0.941 67.987 68.868 0.099 0.000 0.891 2677 T HN -0.048 nan 8.240 nan 0.000 0.492 2678 I N 0.878 121.475 120.570 0.046 0.000 2.480 2678 I HA 0.043 4.212 4.170 -0.001 0.000 0.251 2678 I C 2.576 178.640 176.117 -0.088 0.000 1.124 2678 I CA 0.383 61.674 61.300 -0.016 0.000 1.444 2678 I CB -0.283 37.720 38.000 0.004 0.000 1.098 2678 I HN 0.072 nan 8.210 nan 0.000 0.428 2679 V N 0.723 120.551 119.914 -0.144 0.000 2.295 2679 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 2679 V C 2.562 178.323 176.094 -0.553 0.000 1.049 2679 V CA 2.041 64.118 62.300 -0.371 0.000 1.024 2679 V CB -0.768 30.841 31.823 -0.356 0.000 0.648 2679 V HN 0.439 nan 8.190 nan 0.000 0.447 2680 V N -0.703 119.041 119.914 -0.283 0.000 2.667 2680 V HA -0.144 3.975 4.120 -0.001 0.000 0.252 2680 V C 2.361 178.414 176.094 -0.069 0.000 1.065 2680 V CA 2.191 64.399 62.300 -0.153 0.000 1.083 2680 V CB -0.799 30.992 31.823 -0.054 0.000 0.692 2680 V HN 0.514 nan 8.190 nan 0.000 0.468 2681 K N 2.303 122.662 120.400 -0.069 0.000 2.031 2681 K HA 0.107 4.426 4.320 -0.001 0.000 0.205 2681 K C 2.122 178.714 176.600 -0.013 0.000 1.049 2681 K CA 2.009 58.278 56.287 -0.029 0.000 0.939 2681 K CB -1.264 31.221 32.500 -0.026 0.000 0.717 2681 K HN 0.426 nan 8.250 nan 0.000 0.438 2682 G N -0.715 108.069 108.800 -0.027 0.000 2.408 2682 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.217 2682 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.217 2682 G C 1.135 176.110 174.900 0.124 0.000 1.150 2682 G CA 0.717 45.850 45.100 0.054 0.000 0.776 2682 G HN 0.271 nan 8.290 nan 0.000 0.542 2683 Y N 0.341 120.589 120.300 -0.086 0.000 2.263 2683 Y HA -0.020 4.529 4.550 -0.001 0.000 0.292 2683 Y C 2.853 178.537 175.900 -0.360 0.000 1.130 2683 Y CA 0.916 58.889 58.100 -0.211 0.000 1.179 2683 Y CB -0.928 37.602 38.460 0.117 0.000 0.998 2683 Y HN 0.264 nan 8.280 nan 0.000 0.532 2684 Q N 0.421 120.228 119.800 0.011 0.000 2.083 2684 Q HA -0.047 4.293 4.340 -0.001 0.000 0.198 2684 Q C 2.362 178.303 176.000 -0.098 0.000 0.969 2684 Q CA 1.742 57.525 55.803 -0.032 0.000 0.838 2684 Q CB -0.455 28.287 28.738 0.007 0.000 0.900 2684 Q HN 0.319 nan 8.270 nan 0.000 0.436 2685 A N 0.265 123.052 122.820 -0.055 0.000 1.873 2685 A HA -0.009 4.311 4.320 -0.001 0.000 0.215 2685 A C 2.276 179.817 177.584 -0.073 0.000 1.186 2685 A CA 1.850 53.901 52.037 0.024 0.000 0.616 2685 A CB -1.160 17.931 19.000 0.151 0.000 0.823 2685 A HN 0.500 nan 8.150 nan 0.000 0.442 2686 A N -0.297 122.390 122.820 -0.222 0.000 1.930 2686 A HA 0.224 4.544 4.320 -0.001 0.000 0.217 2686 A C 2.452 179.688 177.584 -0.579 0.000 1.175 2686 A CA 1.886 53.656 52.037 -0.445 0.000 0.627 2686 A CB -0.862 17.763 19.000 -0.625 0.000 0.815 2686 A HN 0.996 nan 8.150 nan 0.000 0.443 2687 A N -1.157 121.253 122.820 -0.684 0.000 1.930 2687 A HA -0.132 4.188 4.320 -0.001 0.000 0.217 2687 A C 2.111 179.603 177.584 -0.153 0.000 1.175 2687 A CA 1.492 53.366 52.037 -0.272 0.000 0.627 2687 A CB -0.391 18.524 19.000 -0.140 0.000 0.815 2687 A HN 0.465 nan 8.150 nan 0.000 0.443 2688 Q N -0.309 119.388 119.800 -0.172 0.000 2.119 2688 Q HA -0.167 4.173 4.340 -0.001 0.000 0.201 2688 Q C 2.016 177.910 176.000 -0.178 0.000 0.972 2688 Q CA 1.846 57.573 55.803 -0.127 0.000 0.847 2688 Q CB -0.337 28.349 28.738 -0.087 0.000 0.903 2688 Q HN 0.632 nan 8.270 nan 0.000 0.433 2689 K N 0.909 121.111 120.400 -0.330 0.000 2.148 2689 K HA 0.010 4.329 4.320 -0.001 0.000 0.204 2689 K C 1.821 178.268 176.600 -0.255 0.000 1.050 2689 K CA 1.149 57.171 56.287 -0.441 0.000 0.942 2689 K CB -0.361 31.491 32.500 -1.079 0.000 0.724 2689 K HN 0.124 nan 8.250 nan 0.000 0.446 2690 A N 0.533 123.242 122.820 -0.184 0.000 1.933 2690 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 2690 A C 2.035 179.596 177.584 -0.039 0.000 1.175 2690 A CA 1.578 53.580 52.037 -0.058 0.000 0.628 2690 A CB -0.483 18.546 19.000 0.049 0.000 0.814 2690 A HN 0.496 nan 8.150 nan 0.000 0.444 2691 Q N -0.874 118.896 119.800 -0.051 0.000 2.084 2691 Q HA -0.212 4.128 4.340 -0.001 0.000 0.202 2691 Q C 2.140 178.119 176.000 -0.035 0.000 0.978 2691 Q CA 1.638 57.422 55.803 -0.033 0.000 0.844 2691 Q CB -0.160 28.558 28.738 -0.033 0.000 0.898 2691 Q HN 0.863 nan 8.270 nan 0.000 0.426 2692 E N 0.768 120.934 120.200 -0.056 0.000 2.072 2692 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 2692 E C 1.988 178.567 176.600 -0.035 0.000 0.985 2692 E CA 0.636 57.009 56.400 -0.047 0.000 0.801 2692 E CB 0.000 29.663 29.700 -0.063 0.000 0.750 2692 E HN 0.295 nan 8.360 nan 0.000 0.452 2693 L N 0.601 121.797 121.223 -0.045 0.000 2.042 2693 L HA -0.212 4.128 4.340 -0.001 0.000 0.210 2693 L C 2.566 179.434 176.870 -0.002 0.000 1.076 2693 L CA 0.922 55.749 54.840 -0.021 0.000 0.749 2693 L CB -0.327 41.717 42.059 -0.024 0.000 0.893 2693 L HN 0.265 nan 8.230 nan 0.000 0.432 2694 L N -0.797 120.424 121.223 -0.004 0.000 2.109 2694 L HA -0.136 4.204 4.340 -0.001 0.000 0.207 2694 L C 2.610 179.482 176.870 0.004 0.000 1.086 2694 L CA 0.784 55.627 54.840 0.004 0.000 0.760 2694 L CB -0.429 41.632 42.059 0.004 0.000 0.910 2694 L HN 0.164 nan 8.230 nan 0.000 0.437 2695 K N -0.150 120.248 120.400 -0.003 0.000 2.211 2695 K HA -0.083 4.237 4.320 -0.001 0.000 0.203 2695 K C 2.071 178.671 176.600 0.001 0.000 1.050 2695 K CA 1.770 58.056 56.287 -0.002 0.000 0.945 2695 K CB -0.354 32.142 32.500 -0.006 0.000 0.732 2695 K HN 0.466 nan 8.250 nan 0.000 0.451 2696 T N -1.888 112.667 114.554 0.001 0.000 3.040 2696 T HA 0.062 4.412 4.350 -0.001 0.000 0.252 2696 T C 1.831 176.536 174.700 0.009 0.000 1.064 2696 T CA -0.016 62.087 62.100 0.004 0.000 1.110 2696 T CB -0.006 68.864 68.868 0.002 0.000 0.921 2696 T HN -0.063 nan 8.240 nan 0.000 0.480 2697 I N 2.133 122.712 120.570 0.015 0.000 2.876 2697 I HA 0.443 4.612 4.170 -0.001 0.000 0.264 2697 I C 1.402 177.532 176.117 0.022 0.000 1.204 2697 I CA -0.628 60.687 61.300 0.025 0.000 1.485 2697 I CB -0.616 37.410 38.000 0.043 0.000 1.103 2697 I HN 0.347 nan 8.210 nan 0.000 0.446 2698 A N 0.038 122.868 122.820 0.016 0.000 2.561 2698 A HA 0.096 4.416 4.320 -0.001 0.000 0.234 2698 A C 0.089 177.680 177.584 0.011 0.000 1.055 2698 A CA 0.045 52.090 52.037 0.013 0.000 0.756 2698 A CB -0.469 18.536 19.000 0.009 0.000 0.986 2698 A HN 0.433 nan 8.150 nan 0.000 0.505 2699 C N 3.129 122.436 119.300 0.011 0.000 2.264 2699 C HA 0.434 4.894 4.460 -0.001 0.000 0.324 2699 C C 0.365 175.359 174.990 0.006 0.000 1.267 2699 C CA -0.579 58.444 59.018 0.008 0.000 1.618 2699 C CB -0.510 27.236 27.740 0.010 0.000 2.278 2699 C HN 0.932 nan 8.230 nan 0.000 0.499 2700 E N 1.336 121.539 120.200 0.004 0.000 2.414 2700 E HA 0.358 4.708 4.350 -0.001 0.000 0.263 2700 E C -0.137 176.465 176.600 0.003 0.000 1.000 2700 E CA 0.404 56.806 56.400 0.003 0.000 0.914 2700 E CB 0.521 30.222 29.700 0.002 0.000 0.948 2700 E HN 0.497 nan 8.360 nan 0.000 0.444 2701 V N 2.146 122.062 119.914 0.003 0.000 3.087 2701 V HA 0.628 4.747 4.120 -0.001 0.000 0.306 2701 V C -0.186 175.909 176.094 0.002 0.000 1.187 2701 V CA -0.589 61.712 62.300 0.003 0.000 0.999 2701 V CB 2.255 34.080 31.823 0.003 0.000 1.049 2701 V HN 0.752 nan 8.190 nan 0.000 0.431 2702 G N 3.160 111.961 108.800 0.002 0.000 2.254 2702 G HA2 0.402 4.361 3.960 -0.001 0.000 0.253 2702 G HA3 0.402 4.361 3.960 -0.001 0.000 0.253 2702 G C 1.028 175.929 174.900 0.002 0.000 1.246 2702 G CA 0.383 45.484 45.100 0.002 0.000 0.946 2702 G HN 1.559 nan 8.290 nan 0.000 0.474 2703 A N 2.637 125.458 122.820 0.002 0.000 1.933 2703 A HA -0.070 4.249 4.320 -0.001 0.000 0.218 2703 A C 2.052 179.638 177.584 0.003 0.000 1.175 2703 A CA 1.214 53.253 52.037 0.002 0.000 0.628 2703 A CB -0.023 18.978 19.000 0.002 0.000 0.814 2703 A HN 0.577 nan 8.150 nan 0.000 0.444 2704 Q N -0.206 119.595 119.800 0.003 0.000 2.198 2704 Q HA 0.058 4.398 4.340 -0.001 0.000 0.209 2704 Q C -0.745 175.256 176.000 0.003 0.000 0.848 2704 Q CA -0.124 55.681 55.803 0.003 0.000 0.974 2704 Q CB 0.062 28.802 28.738 0.003 0.000 1.115 2704 Q HN 0.745 nan 8.270 nan 0.000 0.494 2705 D N 1.074 121.475 120.400 0.002 0.000 2.412 2705 D HA -0.048 4.591 4.640 -0.001 0.000 0.257 2705 D C 1.234 177.535 176.300 0.001 0.000 1.217 2705 D CA 0.159 54.160 54.000 0.001 0.000 0.897 2705 D CB 0.916 41.717 40.800 0.001 0.000 1.132 2705 D HN -0.220 nan 8.370 nan 0.000 0.493 2706 K N 2.996 123.397 120.400 0.001 0.000 2.077 2706 K HA -0.257 4.062 4.320 -0.001 0.000 0.213 2706 K C 1.448 178.048 176.600 -0.001 0.000 1.051 2706 K CA 1.687 57.974 56.287 0.000 0.000 0.929 2706 K CB 0.018 32.518 32.500 -0.000 0.000 0.715 2706 K HN 0.492 nan 8.250 nan 0.000 0.451 2707 E N 0.050 120.249 120.200 -0.002 0.000 2.017 2707 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 2707 E C 2.113 178.711 176.600 -0.003 0.000 0.997 2707 E CA 1.399 57.796 56.400 -0.004 0.000 0.804 2707 E CB -0.468 29.229 29.700 -0.004 0.000 0.757 2707 E HN 0.343 nan 8.360 nan 0.000 0.448 2708 I N 1.214 121.783 120.570 -0.001 0.000 2.335 2708 I HA -0.232 3.937 4.170 -0.001 0.000 0.251 2708 I C 2.246 178.364 176.117 0.001 0.000 1.129 2708 I CA 0.940 62.240 61.300 -0.000 0.000 1.402 2708 I CB -0.164 37.837 38.000 0.001 0.000 1.069 2708 I HN 0.035 nan 8.210 nan 0.000 0.424 2709 L N -0.418 120.806 121.223 0.001 0.000 2.056 2709 L HA -0.187 4.152 4.340 -0.001 0.000 0.207 2709 L C 2.495 179.366 176.870 0.001 0.000 1.078 2709 L CA 1.856 56.697 54.840 0.002 0.000 0.749 2709 L CB -1.172 40.888 42.059 0.002 0.000 0.901 2709 L HN 0.405 nan 8.230 nan 0.000 0.433 2710 T N -3.741 110.812 114.554 -0.001 0.000 2.985 2710 T HA -0.093 4.256 4.350 -0.001 0.000 0.266 2710 T C 1.862 176.559 174.700 -0.005 0.000 1.076 2710 T CA 0.575 62.673 62.100 -0.003 0.000 1.135 2710 T CB 0.006 68.871 68.868 -0.005 0.000 0.890 2710 T HN 0.005 nan 8.240 nan 0.000 0.480 2711 K N 0.797 121.194 120.400 -0.005 0.000 2.062 2711 K HA 0.248 4.568 4.320 -0.001 0.000 0.205 2711 K C 2.127 178.726 176.600 -0.001 0.000 1.051 2711 K CA 0.594 56.877 56.287 -0.007 0.000 0.941 2711 K CB -0.429 32.067 32.500 -0.006 0.000 0.719 2711 K HN 0.266 nan 8.250 nan 0.000 0.440 2712 I N 0.740 121.311 120.570 0.002 0.000 2.179 2712 I HA -0.211 3.959 4.170 -0.001 0.000 0.242 2712 I C 2.162 178.284 176.117 0.007 0.000 1.088 2712 I CA 1.436 62.740 61.300 0.006 0.000 1.357 2712 I CB -1.336 36.667 38.000 0.006 0.000 1.051 2712 I HN 0.090 nan 8.210 nan 0.000 0.409 2713 A N 0.819 123.642 122.820 0.005 0.000 1.873 2713 A HA -0.246 4.074 4.320 -0.001 0.000 0.218 2713 A C 2.410 179.998 177.584 0.007 0.000 1.193 2713 A CA 2.004 54.044 52.037 0.006 0.000 0.629 2713 A CB -0.638 18.364 19.000 0.004 0.000 0.826 2713 A HN 0.355 nan 8.150 nan 0.000 0.447 2714 M N -0.313 119.289 119.600 0.003 0.000 2.132 2714 M HA -0.130 4.350 4.480 -0.001 0.000 0.263 2714 M C 2.428 178.735 176.300 0.012 0.000 1.065 2714 M CA 2.020 57.320 55.300 0.000 0.000 1.122 2714 M CB -0.747 31.844 32.600 -0.016 0.000 1.365 2714 M HN 0.725 nan 8.290 nan 0.000 0.411 2715 T N -2.714 111.849 114.554 0.015 0.000 2.867 2715 T HA -0.095 4.254 4.350 -0.001 0.000 0.268 2715 T C 1.888 176.613 174.700 0.042 0.000 1.057 2715 T CA 1.631 63.752 62.100 0.035 0.000 1.136 2715 T CB -0.457 68.429 68.868 0.031 0.000 0.874 2715 T HN 0.298 nan 8.240 nan 0.000 0.466 2716 S N 0.922 116.639 115.700 0.028 0.000 2.368 2716 S HA 0.050 4.519 4.470 -0.001 0.000 0.224 2716 S C 2.001 176.619 174.600 0.029 0.000 1.029 2716 S CA 0.724 58.939 58.200 0.025 0.000 0.988 2716 S CB -0.616 62.594 63.200 0.017 0.000 0.838 2716 S HN 0.589 nan 8.310 nan 0.000 0.462 2717 I N 1.763 122.350 120.570 0.029 0.000 2.361 2717 I HA -0.101 4.069 4.170 -0.001 0.000 0.251 2717 I C 1.276 177.421 176.117 0.047 0.000 1.133 2717 I CA 0.894 62.212 61.300 0.031 0.000 1.413 2717 I CB -0.907 37.107 38.000 0.024 0.000 1.073 2717 I HN 0.429 nan 8.210 nan 0.000 0.424 2718 T N -0.585 114.010 114.554 0.069 0.000 2.932 2718 T HA 0.320 4.670 4.350 -0.001 0.000 0.312 2718 T C 1.161 175.919 174.700 0.097 0.000 1.071 2718 T CA 0.101 62.273 62.100 0.121 0.000 1.128 2718 T CB 1.286 70.280 68.868 0.209 0.000 0.984 2718 T HN 0.604 nan 8.240 nan 0.000 0.549 2719 G N 1.509 110.368 108.800 0.097 0.000 2.176 2719 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.253 2719 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.253 2719 G C -0.068 174.848 174.900 0.028 0.000 0.979 2719 G CA 0.394 45.517 45.100 0.037 0.000 0.641 2719 G HN 0.943 nan 8.290 nan 0.000 0.530 2720 K N -0.941 119.483 120.400 0.040 0.000 2.350 2720 K HA 0.621 4.940 4.320 -0.001 0.000 0.241 2720 K C 1.495 178.116 176.600 0.035 0.000 0.994 2720 K CA -0.521 55.785 56.287 0.030 0.000 0.839 2720 K CB 1.434 33.951 32.500 0.027 0.000 1.244 2720 K HN 0.160 nan 8.250 nan 0.000 0.443 2721 G N 0.376 109.193 108.800 0.028 0.000 2.422 2721 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.218 2721 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.218 2721 G C 1.290 176.208 174.900 0.030 0.000 1.140 2721 G CA 0.985 46.102 45.100 0.029 0.000 0.775 2721 G HN 0.616 nan 8.290 nan 0.000 0.545 2722 A N 1.690 124.527 122.820 0.028 0.000 2.125 2722 A HA -0.029 4.291 4.320 -0.001 0.000 0.219 2722 A C 2.131 179.730 177.584 0.025 0.000 1.156 2722 A CA 1.762 53.814 52.037 0.025 0.000 0.671 2722 A CB -0.438 18.576 19.000 0.023 0.000 0.794 2722 A HN 0.662 nan 8.150 nan 0.000 0.459 2723 E N 1.234 121.454 120.200 0.033 0.000 2.331 2723 E HA -0.293 4.056 4.350 -0.001 0.000 0.199 2723 E C 1.614 178.227 176.600 0.022 0.000 1.008 2723 E CA 1.367 57.787 56.400 0.033 0.000 0.843 2723 E CB -0.546 29.190 29.700 0.060 0.000 0.761 2723 E HN 0.820 nan 8.360 nan 0.000 0.507 2724 K N 0.858 121.273 120.400 0.024 0.000 2.211 2724 K HA -0.073 4.247 4.320 -0.001 0.000 0.204 2724 K C 1.503 178.108 176.600 0.008 0.000 1.047 2724 K CA 1.491 57.788 56.287 0.016 0.000 0.935 2724 K CB -0.006 32.506 32.500 0.019 0.000 0.728 2724 K HN 0.160 nan 8.250 nan 0.000 0.452 2725 A N 1.769 124.594 122.820 0.009 0.000 2.616 2725 A HA 0.144 4.464 4.320 -0.001 0.000 0.294 2725 A C 1.306 178.892 177.584 0.003 0.000 1.091 2725 A CA -0.561 51.479 52.037 0.005 0.000 0.971 2725 A CB -0.055 18.950 19.000 0.008 0.000 1.222 2725 A HN 0.415 nan 8.150 nan 0.000 0.521 2726 K N 0.167 120.568 120.400 0.002 0.000 2.286 2726 K HA -0.212 4.108 4.320 -0.001 0.000 0.203 2726 K C 0.864 177.461 176.600 -0.005 0.000 1.045 2726 K CA 1.929 58.216 56.287 -0.000 0.000 0.935 2726 K CB -0.103 32.395 32.500 -0.004 0.000 0.737 2726 K HN 0.333 nan 8.250 nan 0.000 0.460 2727 E N 1.488 121.683 120.200 -0.009 0.000 2.046 2727 E HA -0.140 4.210 4.350 -0.001 0.000 0.190 2727 E C 1.914 178.511 176.600 -0.004 0.000 0.982 2727 E CA 1.301 57.694 56.400 -0.010 0.000 0.800 2727 E CB -0.073 29.619 29.700 -0.013 0.000 0.756 2727 E HN 0.257 nan 8.360 nan 0.000 0.449 2728 K N 0.335 120.734 120.400 -0.001 0.000 2.097 2728 K HA -0.080 4.239 4.320 -0.001 0.000 0.205 2728 K C 1.637 178.240 176.600 0.005 0.000 1.050 2728 K CA 0.810 57.099 56.287 0.002 0.000 0.938 2728 K CB -0.253 32.249 32.500 0.004 0.000 0.718 2728 K HN 0.005 nan 8.250 nan 0.000 0.442 2729 L N 0.409 121.635 121.223 0.005 0.000 2.093 2729 L HA 0.035 4.375 4.340 -0.001 0.000 0.208 2729 L C 2.277 179.150 176.870 0.006 0.000 1.085 2729 L CA 1.895 56.740 54.840 0.007 0.000 0.755 2729 L CB -1.151 40.913 42.059 0.009 0.000 0.904 2729 L HN 0.269 nan 8.230 nan 0.000 0.435 2730 A N -0.802 122.020 122.820 0.003 0.000 1.898 2730 A HA -0.225 4.095 4.320 -0.001 0.000 0.216 2730 A C 2.314 179.899 177.584 0.002 0.000 1.181 2730 A CA 1.629 53.667 52.037 0.002 0.000 0.620 2730 A CB -0.496 18.503 19.000 -0.002 0.000 0.819 2730 A HN 0.380 nan 8.150 nan 0.000 0.442 2731 E N 0.332 120.534 120.200 0.002 0.000 2.058 2731 E HA -0.158 4.191 4.350 -0.001 0.000 0.194 2731 E C 1.696 178.300 176.600 0.006 0.000 0.997 2731 E CA 1.594 57.996 56.400 0.003 0.000 0.801 2731 E CB -0.388 29.313 29.700 0.002 0.000 0.746 2731 E HN 0.639 nan 8.360 nan 0.000 0.450 2732 I N -0.328 120.246 120.570 0.007 0.000 2.179 2732 I HA -0.234 3.935 4.170 -0.001 0.000 0.242 2732 I C 1.932 178.054 176.117 0.009 0.000 1.088 2732 I CA 0.759 62.065 61.300 0.010 0.000 1.357 2732 I CB -0.153 37.854 38.000 0.012 0.000 1.051 2732 I HN 0.161 nan 8.210 nan 0.000 0.409 2733 I N -0.360 120.214 120.570 0.008 0.000 2.406 2733 I HA -0.163 4.006 4.170 -0.001 0.000 0.249 2733 I C 2.296 178.417 176.117 0.006 0.000 1.122 2733 I CA 1.069 62.373 61.300 0.007 0.000 1.431 2733 I CB -0.288 37.716 38.000 0.006 0.000 1.087 2733 I HN -0.063 nan 8.210 nan 0.000 0.424 2734 V N 0.231 120.148 119.914 0.006 0.000 2.358 2734 V HA -0.259 3.861 4.120 -0.001 0.000 0.246 2734 V C 2.511 178.609 176.094 0.006 0.000 1.047 2734 V CA 1.918 64.221 62.300 0.005 0.000 1.035 2734 V CB -0.548 31.277 31.823 0.004 0.000 0.658 2734 V HN 0.403 nan 8.190 nan 0.000 0.452 2735 E N 0.845 121.050 120.200 0.007 0.000 2.077 2735 E HA -0.162 4.188 4.350 -0.001 0.000 0.193 2735 E C 2.133 178.739 176.600 0.010 0.000 0.989 2735 E CA 1.679 58.084 56.400 0.009 0.000 0.800 2735 E CB -0.492 29.214 29.700 0.010 0.000 0.746 2735 E HN 0.492 nan 8.360 nan 0.000 0.452 2736 A N 0.030 122.856 122.820 0.010 0.000 1.902 2736 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 2736 A C 2.505 180.093 177.584 0.008 0.000 1.181 2736 A CA 1.729 53.772 52.037 0.009 0.000 0.623 2736 A CB -0.784 18.221 19.000 0.008 0.000 0.818 2736 A HN 0.205 nan 8.150 nan 0.000 0.443 2737 V N -0.330 119.588 119.914 0.007 0.000 2.307 2737 V HA -0.194 3.926 4.120 -0.001 0.000 0.245 2737 V C 2.763 178.861 176.094 0.007 0.000 1.045 2737 V CA 2.240 64.544 62.300 0.006 0.000 1.024 2737 V CB -0.851 30.975 31.823 0.005 0.000 0.651 2737 V HN 0.546 nan 8.190 nan 0.000 0.449 2738 S N 0.193 115.897 115.700 0.008 0.000 2.387 2738 S HA -0.219 4.250 4.470 -0.001 0.000 0.230 2738 S C 2.169 176.776 174.600 0.011 0.000 1.035 2738 S CA 1.511 59.717 58.200 0.009 0.000 1.014 2738 S CB -0.472 62.733 63.200 0.009 0.000 0.836 2738 S HN 0.659 nan 8.310 nan 0.000 0.466 2739 A N 1.111 123.939 122.820 0.013 0.000 1.855 2739 A HA -0.043 4.277 4.320 -0.001 0.000 0.215 2739 A C 2.401 179.995 177.584 0.016 0.000 1.191 2739 A CA 1.759 53.806 52.037 0.018 0.000 0.613 2739 A CB -0.820 18.192 19.000 0.019 0.000 0.829 2739 A HN 0.579 nan 8.150 nan 0.000 0.442 2740 V N -3.212 116.709 119.914 0.011 0.000 3.052 2740 V HA 0.040 4.160 4.120 -0.001 0.000 0.254 2740 V C 2.033 178.130 176.094 0.006 0.000 1.100 2740 V CA 1.363 63.668 62.300 0.009 0.000 1.112 2740 V CB -0.364 31.462 31.823 0.005 0.000 0.738 2740 V HN 0.194 nan 8.190 nan 0.000 0.469 2741 V N 0.553 120.470 119.914 0.006 0.000 2.809 2741 V HA -0.059 4.061 4.120 -0.001 0.000 0.256 2741 V C 1.571 177.666 176.094 0.003 0.000 1.080 2741 V CA 2.290 64.593 62.300 0.004 0.000 1.102 2741 V CB -0.537 31.288 31.823 0.004 0.000 0.705 2741 V HN 0.842 nan 8.190 nan 0.000 0.475 2742 D N -0.651 119.752 120.400 0.004 0.000 4.438 2742 D HA -0.218 4.421 4.640 -0.001 0.000 0.158 2742 D C 0.632 176.932 176.300 0.001 0.000 0.686 2742 D CA 1.927 55.928 54.000 0.002 0.000 1.183 2742 D CB -1.243 39.556 40.800 -0.002 0.000 0.623 2742 D HN 0.557 nan 8.370 nan 0.000 0.521 2743 D N 1.020 121.420 120.400 -0.001 0.000 2.393 2743 D HA 0.289 4.929 4.640 -0.001 0.000 0.246 2743 D C -0.157 176.143 176.300 0.000 0.000 1.275 2743 D CA 0.228 54.227 54.000 -0.001 0.000 0.979 2743 D CB 0.402 41.200 40.800 -0.003 0.000 1.101 2743 D HN 0.154 nan 8.370 nan 0.000 0.505 2744 E N -0.604 119.596 120.200 0.000 0.000 2.731 2744 E HA 0.596 4.946 4.350 -0.001 0.000 0.220 2744 E C -0.182 176.419 176.600 0.000 0.000 1.087 2744 E CA -0.503 55.897 56.400 0.001 0.000 1.020 2744 E CB 0.857 30.557 29.700 0.001 0.000 1.339 2744 E HN 0.501 nan 8.360 nan 0.000 0.444 2745 G N 0.590 109.390 108.800 0.000 0.000 2.328 2745 G HA2 0.354 4.313 3.960 -0.001 0.000 0.299 2745 G HA3 0.354 4.313 3.960 -0.001 0.000 0.299 2745 G C -1.738 173.162 174.900 0.000 0.000 1.435 2745 G CA -0.925 44.175 45.100 0.000 0.000 0.865 2745 G HN 0.025 nan 8.290 nan 0.000 0.601 2746 K N 0.303 120.703 120.400 0.000 0.000 2.581 2746 K HA 0.586 4.906 4.320 -0.001 0.000 0.249 2746 K C -1.662 174.938 176.600 0.000 0.000 0.966 2746 K CA -0.581 55.706 56.287 0.000 0.000 0.811 2746 K CB 2.060 34.559 32.500 -0.001 0.000 1.223 2746 K HN 0.878 nan 8.250 nan 0.000 0.438 2747 V N 3.034 122.948 119.914 0.001 0.000 2.547 2747 V HA 0.428 4.548 4.120 -0.001 0.000 0.299 2747 V C -1.121 174.973 176.094 -0.000 0.000 1.040 2747 V CA -0.515 61.785 62.300 0.001 0.000 0.913 2747 V CB 1.693 33.517 31.823 0.001 0.000 0.992 2747 V HN 0.778 nan 8.190 nan 0.000 0.449 2748 D N 4.541 124.940 120.400 -0.001 0.000 2.441 2748 D HA 0.332 4.972 4.640 -0.001 0.000 0.231 2748 D C 0.787 177.085 176.300 -0.003 0.000 1.073 2748 D CA -0.307 53.692 54.000 -0.002 0.000 0.850 2748 D CB 1.678 42.476 40.800 -0.003 0.000 1.062 2748 D HN 0.553 nan 8.370 nan 0.000 0.524 2749 K N 2.042 122.440 120.400 -0.003 0.000 2.280 2749 K HA -0.152 4.168 4.320 -0.001 0.000 0.202 2749 K C 0.882 177.478 176.600 -0.007 0.000 1.047 2749 K CA 0.824 57.109 56.287 -0.004 0.000 0.942 2749 K CB 0.248 32.747 32.500 -0.003 0.000 0.739 2749 K HN 0.354 nan 8.250 nan 0.000 0.457 2750 D N 0.763 121.158 120.400 -0.008 0.000 2.310 2750 D HA -0.072 4.568 4.640 -0.001 0.000 0.212 2750 D C 1.342 177.634 176.300 -0.015 0.000 0.965 2750 D CA 0.626 54.619 54.000 -0.012 0.000 0.879 2750 D CB 0.157 40.950 40.800 -0.012 0.000 0.921 2750 D HN 0.104 nan 8.370 nan 0.000 0.510 2751 L N -0.186 121.030 121.223 -0.011 0.000 2.492 2751 L HA 0.157 4.497 4.340 -0.001 0.000 0.223 2751 L C 0.354 177.218 176.870 -0.011 0.000 1.132 2751 L CA 0.248 55.081 54.840 -0.011 0.000 0.850 2751 L CB 0.134 42.190 42.059 -0.005 0.000 0.966 2751 L HN 0.019 nan 8.230 nan 0.000 0.454 2752 I N 0.567 121.131 120.570 -0.010 0.000 2.390 2752 I HA 0.180 4.350 4.170 -0.001 0.000 0.283 2752 I C -0.089 176.019 176.117 -0.015 0.000 1.016 2752 I CA -0.641 60.653 61.300 -0.009 0.000 1.151 2752 I CB 1.406 39.403 38.000 -0.004 0.000 1.293 2752 I HN -0.148 nan 8.210 nan 0.000 0.458 2753 K N 7.270 127.657 120.400 -0.021 0.000 2.172 2753 K HA 0.452 4.771 4.320 -0.001 0.000 0.276 2753 K C -0.786 175.801 176.600 -0.023 0.000 1.013 2753 K CA -0.239 56.031 56.287 -0.028 0.000 0.913 2753 K CB 0.775 33.248 32.500 -0.045 0.000 1.055 2753 K HN 0.396 nan 8.250 nan 0.000 0.461 2754 I N 3.931 124.489 120.570 -0.021 0.000 2.347 2754 I HA 0.239 4.409 4.170 -0.001 0.000 0.283 2754 I C -0.161 175.943 176.117 -0.022 0.000 1.058 2754 I CA -0.679 60.611 61.300 -0.015 0.000 1.202 2754 I CB 0.344 38.339 38.000 -0.009 0.000 1.386 2754 I HN 0.684 nan 8.210 nan 0.000 0.475 2755 E N 6.972 127.156 120.200 -0.026 0.000 2.214 2755 E HA 0.613 4.962 4.350 -0.001 0.000 0.274 2755 E C -0.784 175.805 176.600 -0.018 0.000 0.977 2755 E CA -0.595 55.785 56.400 -0.034 0.000 0.827 2755 E CB 1.407 31.071 29.700 -0.059 0.000 1.130 2755 E HN 0.563 nan 8.360 nan 0.000 0.394 2756 K N 1.623 122.012 120.400 -0.019 0.000 2.498 2756 K HA 0.688 5.008 4.320 -0.001 0.000 0.254 2756 K C -1.334 175.259 176.600 -0.012 0.000 0.933 2756 K CA -1.213 55.068 56.287 -0.010 0.000 0.806 2756 K CB 1.818 34.312 32.500 -0.011 0.000 1.301 2756 K HN 0.198 nan 8.250 nan 0.000 0.432 2757 K N 1.348 121.747 120.400 -0.001 0.000 2.588 2757 K HA 0.216 4.536 4.320 -0.001 0.000 0.250 2757 K C -1.284 175.318 176.600 0.003 0.000 0.972 2757 K CA -0.338 55.949 56.287 0.001 0.000 0.821 2757 K CB 2.181 34.690 32.500 0.015 0.000 1.249 2757 K HN 0.711 nan 8.250 nan 0.000 0.442 2758 S N 2.579 118.275 115.700 -0.007 0.000 2.568 2758 S HA 0.602 5.071 4.470 -0.001 0.000 0.282 2758 S C 0.136 174.738 174.600 0.004 0.000 1.338 2758 S CA 1.338 59.534 58.200 -0.006 0.000 1.045 2758 S CB -0.221 62.968 63.200 -0.018 0.000 0.873 2758 S HN 1.208 nan 8.310 nan 0.000 0.516 2759 G N 1.788 110.592 108.800 0.007 0.000 2.428 2759 G HA2 0.509 4.469 3.960 -0.001 0.000 0.681 2759 G HA3 0.509 4.469 3.960 -0.001 0.000 0.681 2759 G C -0.098 174.810 174.900 0.014 0.000 1.340 2759 G CA -0.039 45.067 45.100 0.011 0.000 0.915 2759 G HN 2.158 nan 8.290 nan 0.000 0.645 2760 A N -0.816 122.011 122.820 0.013 0.000 6.088 2760 A HA 0.395 4.714 4.320 -0.001 0.000 0.261 2760 A C 1.092 178.683 177.584 0.012 0.000 2.138 2760 A CA 1.913 53.957 52.037 0.012 0.000 0.708 2760 A CB -1.632 17.377 19.000 0.015 0.000 1.068 2760 A HN 2.716 nan 8.150 nan 0.000 0.364 2761 S N -2.557 113.150 115.700 0.012 0.000 2.745 2761 S HA 0.692 5.162 4.470 -0.001 0.000 0.306 2761 S C 1.125 175.733 174.600 0.014 0.000 1.137 2761 S CA 0.144 58.351 58.200 0.012 0.000 0.900 2761 S CB 1.368 64.574 63.200 0.010 0.000 1.176 2761 S HN 1.651 nan 8.310 nan 0.000 0.520 2762 I N 1.114 121.692 120.570 0.014 0.000 2.493 2762 I HA -0.086 4.084 4.170 -0.001 0.000 0.254 2762 I C 1.576 177.701 176.117 0.013 0.000 1.160 2762 I CA 1.600 62.908 61.300 0.014 0.000 1.445 2762 I CB -0.101 37.908 38.000 0.015 0.000 1.086 2762 I HN 0.794 nan 8.210 nan 0.000 0.433 2763 D N 0.755 121.161 120.400 0.011 0.000 2.264 2763 D HA -0.203 4.437 4.640 -0.001 0.000 0.208 2763 D C 1.594 177.900 176.300 0.009 0.000 0.966 2763 D CA 1.118 55.123 54.000 0.008 0.000 0.864 2763 D CB 0.023 40.826 40.800 0.006 0.000 0.933 2763 D HN 0.358 nan 8.370 nan 0.000 0.499 2764 D N -0.461 119.946 120.400 0.011 0.000 2.347 2764 D HA -0.032 4.608 4.640 -0.001 0.000 0.213 2764 D C 0.236 176.548 176.300 0.020 0.000 0.985 2764 D CA 0.385 54.393 54.000 0.013 0.000 0.879 2764 D CB -0.127 40.681 40.800 0.014 0.000 0.919 2764 D HN 0.149 nan 8.370 nan 0.000 0.526 2765 T N 1.563 116.129 114.554 0.021 0.000 2.933 2765 T HA 0.106 4.456 4.350 -0.001 0.000 0.306 2765 T C 0.291 175.007 174.700 0.027 0.000 1.045 2765 T CA 0.675 62.791 62.100 0.026 0.000 1.143 2765 T CB 1.039 69.919 68.868 0.021 0.000 1.003 2765 T HN 0.013 nan 8.240 nan 0.000 0.540 2766 E N 1.477 121.700 120.200 0.038 0.000 2.390 2766 E HA 0.530 4.880 4.350 -0.001 0.000 0.280 2766 E C -1.884 174.746 176.600 0.051 0.000 0.992 2766 E CA -0.813 55.610 56.400 0.038 0.000 0.790 2766 E CB 1.074 30.795 29.700 0.035 0.000 1.248 2766 E HN 0.356 nan 8.360 nan 0.000 0.447 2767 L N 3.338 124.586 121.223 0.042 0.000 2.312 2767 L HA 0.596 4.936 4.340 -0.001 0.000 0.281 2767 L C -1.079 175.827 176.870 0.061 0.000 1.070 2767 L CA -0.182 54.684 54.840 0.043 0.000 0.805 2767 L CB 0.791 42.867 42.059 0.028 0.000 1.174 2767 L HN 0.570 nan 8.230 nan 0.000 0.434 2768 I N 5.457 126.072 120.570 0.076 0.000 2.382 2768 I HA 0.301 4.471 4.170 -0.001 0.000 0.285 2768 I C -0.056 176.099 176.117 0.064 0.000 1.007 2768 I CA -0.461 60.900 61.300 0.102 0.000 1.142 2768 I CB 1.153 39.269 38.000 0.192 0.000 1.289 2768 I HN 0.326 nan 8.210 nan 0.000 0.453 2769 K N 5.779 126.210 120.400 0.051 0.000 2.081 2769 K HA 0.484 4.804 4.320 -0.001 0.000 0.230 2769 K C 0.456 177.077 176.600 0.035 0.000 1.199 2769 K CA -0.005 56.303 56.287 0.034 0.000 1.130 2769 K CB -0.286 32.229 32.500 0.024 0.000 1.386 2769 K HN 0.979 nan 8.250 nan 0.000 0.280 2770 G N -0.662 108.156 108.800 0.029 0.000 2.398 2770 G HA2 0.022 3.982 3.960 -0.001 0.000 0.251 2770 G HA3 0.022 3.982 3.960 -0.001 0.000 0.251 2770 G C -1.606 173.289 174.900 -0.008 0.000 1.277 2770 G CA -0.806 44.304 45.100 0.016 0.000 0.927 2770 G HN 0.085 nan 8.290 nan 0.000 0.477 2771 V N 0.754 120.648 119.914 -0.034 0.000 2.495 2771 V HA 0.705 4.825 4.120 -0.001 0.000 0.298 2771 V C -0.645 175.364 176.094 -0.142 0.000 1.031 2771 V CA -0.623 61.620 62.300 -0.094 0.000 0.871 2771 V CB 1.407 33.148 31.823 -0.136 0.000 0.988 2771 V HN 0.910 nan 8.190 nan 0.000 0.432 2772 L N 7.467 128.567 121.223 -0.204 0.000 2.305 2772 L HA 0.836 5.175 4.340 -0.001 0.000 0.284 2772 L C -0.382 176.317 176.870 -0.285 0.000 1.013 2772 L CA -0.151 54.465 54.840 -0.373 0.000 0.819 2772 L CB 1.691 43.434 42.059 -0.527 0.000 1.227 2772 L HN 0.577 nan 8.230 nan 0.000 0.417 2773 V N 1.573 121.326 119.914 -0.269 0.000 2.769 2773 V HA 0.635 4.755 4.120 -0.001 0.000 0.312 2773 V C -0.491 175.521 176.094 -0.136 0.000 1.061 2773 V CA -0.523 61.673 62.300 -0.174 0.000 0.931 2773 V CB 1.835 33.572 31.823 -0.143 0.000 1.010 2773 V HN 0.822 nan 8.190 nan 0.000 0.433 2774 D N 1.127 121.474 120.400 -0.088 0.000 3.134 2774 D HA 0.340 4.979 4.640 -0.001 0.000 0.248 2774 D C -0.103 176.192 176.300 -0.009 0.000 1.273 2774 D CA -0.264 53.704 54.000 -0.054 0.000 0.904 2774 D CB 0.341 41.113 40.800 -0.047 0.000 1.089 2774 D HN 0.521 nan 8.370 nan 0.000 0.478 2775 K N 0.278 120.687 120.400 0.016 0.000 2.313 2775 K HA 0.534 4.854 4.320 -0.001 0.000 0.235 2775 K C 0.185 176.819 176.600 0.057 0.000 1.035 2775 K CA -0.853 55.465 56.287 0.052 0.000 0.868 2775 K CB 1.727 34.291 32.500 0.106 0.000 1.232 2775 K HN 0.311 nan 8.250 nan 0.000 0.459 2776 E N -0.104 120.126 120.200 0.050 0.000 2.378 2776 E HA 0.481 4.830 4.350 -0.001 0.000 0.265 2776 E C -0.748 175.865 176.600 0.023 0.000 0.932 2776 E CA -1.141 55.282 56.400 0.039 0.000 0.795 2776 E CB 1.118 30.835 29.700 0.028 0.000 1.296 2776 E HN 0.100 nan 8.360 nan 0.000 0.438 2777 R N 1.406 121.912 120.500 0.011 0.000 2.296 2777 R HA 0.074 4.414 4.340 -0.001 0.000 0.323 2777 R C 1.248 177.542 176.300 -0.011 0.000 1.067 2777 R CA 0.160 56.252 56.100 -0.014 0.000 0.946 2777 R CB 0.959 31.250 30.300 -0.016 0.000 0.991 2777 R HN 0.649 nan 8.270 nan 0.000 0.448 2778 V N 0.012 119.915 119.914 -0.020 0.000 2.688 2778 V HA -0.101 4.018 4.120 -0.001 0.000 0.256 2778 V C 0.905 176.996 176.094 -0.006 0.000 1.084 2778 V CA 1.212 63.506 62.300 -0.010 0.000 1.103 2778 V CB -0.251 31.564 31.823 -0.013 0.000 0.688 2778 V HN 0.526 nan 8.190 nan 0.000 0.480 2779 S N -0.903 114.792 115.700 -0.009 0.000 2.521 2779 S HA 0.774 5.244 4.470 -0.001 0.000 0.295 2779 S C 0.828 175.428 174.600 -0.001 0.000 1.098 2779 S CA -0.139 58.061 58.200 -0.000 0.000 0.999 2779 S CB 1.820 65.022 63.200 0.004 0.000 1.034 2779 S HN 0.735 nan 8.310 nan 0.000 0.483 2780 A N 3.478 126.301 122.820 0.005 0.000 2.121 2780 A HA -0.027 4.293 4.320 -0.001 0.000 0.218 2780 A C 1.782 179.370 177.584 0.006 0.000 1.154 2780 A CA 1.117 53.157 52.037 0.006 0.000 0.679 2780 A CB -0.438 18.566 19.000 0.007 0.000 0.795 2780 A HN 0.904 nan 8.150 nan 0.000 0.458 2781 Q N -0.906 118.898 119.800 0.008 0.000 2.389 2781 Q HA 0.144 4.484 4.340 -0.001 0.000 0.204 2781 Q C 0.296 176.288 176.000 -0.013 0.000 0.944 2781 Q CA 0.071 55.876 55.803 0.003 0.000 0.908 2781 Q CB -0.059 28.687 28.738 0.014 0.000 1.002 2781 Q HN 0.665 nan 8.270 nan 0.000 0.493 2782 M N 1.678 121.268 119.600 -0.017 0.000 2.242 2782 M HA 0.178 4.658 4.480 -0.001 0.000 0.344 2782 M C -2.111 174.178 176.300 -0.018 0.000 1.140 2782 M CA -1.920 53.364 55.300 -0.026 0.000 1.160 2782 M CB 0.171 32.750 32.600 -0.034 0.000 1.491 2782 M HN -0.179 nan 8.290 nan 0.000 0.459 2783 P HA 0.006 nan 4.420 nan 0.000 0.266 2783 P C -0.456 176.840 177.300 -0.007 0.000 1.193 2783 P CA 0.277 63.370 63.100 -0.012 0.000 0.770 2783 P CB 0.459 32.151 31.700 -0.014 0.000 0.836 2784 K N 1.271 121.671 120.400 0.001 0.000 2.393 2784 K HA 0.053 4.372 4.320 -0.001 0.000 0.193 2784 K C 0.384 176.996 176.600 0.019 0.000 1.026 2784 K CA 0.475 56.768 56.287 0.011 0.000 1.064 2784 K CB 0.124 32.631 32.500 0.012 0.000 0.833 2784 K HN 0.497 nan 8.250 nan 0.000 0.521 2785 K N -0.383 120.025 120.400 0.012 0.000 2.571 2785 K HA 0.336 4.656 4.320 -0.001 0.000 0.252 2785 K C -1.330 175.277 176.600 0.011 0.000 0.956 2785 K CA -0.787 55.510 56.287 0.017 0.000 0.822 2785 K CB 2.022 34.529 32.500 0.012 0.000 1.286 2785 K HN -0.275 nan 8.250 nan 0.000 0.439 2786 V N 2.097 122.021 119.914 0.017 0.000 2.577 2786 V HA 0.462 4.582 4.120 -0.001 0.000 0.303 2786 V C -0.207 175.899 176.094 0.020 0.000 1.042 2786 V CA -0.538 61.769 62.300 0.012 0.000 0.872 2786 V CB 1.847 33.674 31.823 0.006 0.000 0.998 2786 V HN 1.006 nan 8.190 nan 0.000 0.423 2787 T N -0.166 114.395 114.554 0.013 0.000 2.945 2787 T HA 0.566 4.916 4.350 -0.001 0.000 0.286 2787 T C 0.103 174.810 174.700 0.011 0.000 1.025 2787 T CA -0.257 61.850 62.100 0.013 0.000 1.039 2787 T CB 1.370 70.242 68.868 0.006 0.000 1.068 2787 T HN 0.774 nan 8.240 nan 0.000 0.497 2788 D N 0.059 120.466 120.400 0.011 0.000 2.689 2788 D HA -0.149 4.491 4.640 -0.001 0.000 0.237 2788 D C 0.270 176.579 176.300 0.016 0.000 1.148 2788 D CA 0.845 54.851 54.000 0.010 0.000 0.656 2788 D CB -1.257 39.546 40.800 0.006 0.000 1.050 2788 D HN 1.086 nan 8.370 nan 0.000 0.426 2789 A N 1.309 124.144 122.820 0.024 0.000 2.425 2789 A HA 0.409 4.729 4.320 -0.001 0.000 0.249 2789 A C 0.533 178.137 177.584 0.035 0.000 1.084 2789 A CA 0.060 52.115 52.037 0.031 0.000 0.781 2789 A CB 0.635 19.665 19.000 0.050 0.000 1.019 2789 A HN 0.150 nan 8.150 nan 0.000 0.490 2790 K N 2.720 123.138 120.400 0.030 0.000 2.354 2790 K HA 0.360 4.680 4.320 -0.001 0.000 0.257 2790 K C -1.224 175.402 176.600 0.043 0.000 1.062 2790 K CA -0.195 56.111 56.287 0.032 0.000 0.971 2790 K CB 0.832 33.344 32.500 0.020 0.000 1.305 2790 K HN 0.541 nan 8.250 nan 0.000 0.449 2791 I N 2.198 122.810 120.570 0.070 0.000 2.352 2791 I HA 0.183 4.353 4.170 -0.001 0.000 0.290 2791 I C 0.407 176.583 176.117 0.099 0.000 1.036 2791 I CA -0.130 61.238 61.300 0.115 0.000 1.336 2791 I CB 1.315 39.420 38.000 0.175 0.000 1.407 2791 I HN 0.454 nan 8.210 nan 0.000 0.497 2792 A N 7.635 130.512 122.820 0.095 0.000 2.330 2792 A HA 0.856 5.176 4.320 -0.001 0.000 0.327 2792 A C -0.763 176.895 177.584 0.124 0.000 1.155 2792 A CA -0.583 51.502 52.037 0.080 0.000 0.803 2792 A CB 0.694 19.719 19.000 0.042 0.000 1.208 2792 A HN 0.652 nan 8.150 nan 0.000 0.477 2793 L N 3.337 124.624 121.223 0.106 0.000 2.298 2793 L HA 0.487 4.827 4.340 -0.001 0.000 0.284 2793 L C -0.823 176.091 176.870 0.074 0.000 1.013 2793 L CA -0.188 54.720 54.840 0.114 0.000 0.824 2793 L CB 1.168 43.278 42.059 0.085 0.000 1.221 2793 L HN 0.575 nan 8.230 nan 0.000 0.418 2794 L N 3.098 124.368 121.223 0.078 0.000 2.334 2794 L HA 0.451 4.790 4.340 -0.001 0.000 0.276 2794 L C 0.734 177.635 176.870 0.052 0.000 1.014 2794 L CA -0.379 54.493 54.840 0.053 0.000 0.815 2794 L CB 2.117 44.203 42.059 0.045 0.000 1.268 2794 L HN 0.587 nan 8.230 nan 0.000 0.428 2795 N N 0.484 119.207 118.700 0.037 0.000 2.348 2795 N HA 0.017 4.756 4.740 -0.001 0.000 0.183 2795 N C 0.352 175.879 175.510 0.028 0.000 1.094 2795 N CA -0.049 53.020 53.050 0.032 0.000 0.885 2795 N CB 0.569 39.070 38.487 0.023 0.000 1.065 2795 N HN 0.753 nan 8.380 nan 0.000 0.472 2796 C N 0.801 120.117 119.300 0.026 0.000 2.470 2796 C HA 0.854 5.314 4.460 -0.001 0.000 0.350 2796 C C 1.038 176.044 174.990 0.026 0.000 1.341 2796 C CA -1.258 57.774 59.018 0.023 0.000 2.440 2796 C CB -0.006 27.746 27.740 0.021 0.000 2.295 2796 C HN 0.324 nan 8.230 nan 0.000 0.645 2797 A N 0.764 123.599 122.820 0.024 0.000 2.340 2797 A HA 0.631 4.951 4.320 -0.001 0.000 0.268 2797 A C -0.008 177.592 177.584 0.028 0.000 1.100 2797 A CA -0.642 51.410 52.037 0.026 0.000 0.803 2797 A CB -0.082 18.932 19.000 0.023 0.000 1.043 2797 A HN 0.859 nan 8.150 nan 0.000 0.488 2798 I N 2.242 122.831 120.570 0.030 0.000 2.243 2798 I HA 0.204 4.374 4.170 -0.001 0.000 0.289 2798 I C 0.115 176.258 176.117 0.043 0.000 1.140 2798 I CA 0.471 61.793 61.300 0.036 0.000 1.289 2798 I CB -0.556 37.467 38.000 0.038 0.000 1.498 2798 I HN 0.716 nan 8.210 nan 0.000 0.561 2799 E N 3.524 123.748 120.200 0.039 0.000 2.450 2799 E HA 0.493 4.842 4.350 -0.001 0.000 0.272 2799 E C -0.792 175.832 176.600 0.040 0.000 0.967 2799 E CA -1.120 55.304 56.400 0.040 0.000 0.818 2799 E CB 2.332 32.051 29.700 0.031 0.000 1.401 2799 E HN 0.122 nan 8.360 nan 0.000 0.450 2800 I N 2.310 122.905 120.570 0.041 0.000 2.406 2800 I HA 0.079 4.249 4.170 -0.001 0.000 0.293 2800 I C 0.506 176.642 176.117 0.031 0.000 1.101 2800 I CA 0.175 61.500 61.300 0.041 0.000 1.334 2800 I CB -0.521 37.507 38.000 0.046 0.000 1.421 2800 I HN 0.398 nan 8.210 nan 0.000 0.513 2801 K N 4.904 125.321 120.400 0.029 0.000 2.319 2801 K HA 0.084 4.404 4.320 -0.001 0.000 0.265 2801 K C -0.066 176.548 176.600 0.022 0.000 1.000 2801 K CA -0.200 56.100 56.287 0.023 0.000 0.943 2801 K CB 0.847 33.360 32.500 0.021 0.000 0.950 2801 K HN 0.460 nan 8.250 nan 0.000 0.485 2802 E N 1.418 121.628 120.200 0.016 0.000 2.207 2802 E HA 0.171 4.521 4.350 -0.001 0.000 0.270 2802 E C -1.057 175.551 176.600 0.013 0.000 0.927 2802 E CA -0.591 55.817 56.400 0.013 0.000 0.799 2802 E CB 1.359 31.064 29.700 0.007 0.000 1.172 2802 E HN 0.638 nan 8.360 nan 0.000 0.404 2803 T N 1.101 115.662 114.554 0.013 0.000 2.813 2803 T HA 0.178 4.528 4.350 -0.001 0.000 0.297 2803 T C 0.746 175.451 174.700 0.008 0.000 1.036 2803 T CA -0.378 61.729 62.100 0.012 0.000 1.044 2803 T CB 0.761 69.637 68.868 0.014 0.000 0.993 2803 T HN 0.417 nan 8.240 nan 0.000 0.535 2804 E N 0.334 120.539 120.200 0.008 0.000 2.047 2804 E HA 0.045 4.394 4.350 -0.001 0.000 0.191 2804 E C 1.238 177.841 176.600 0.005 0.000 0.987 2804 E CA 1.032 57.436 56.400 0.006 0.000 0.799 2804 E CB -0.586 29.118 29.700 0.006 0.000 0.752 2804 E HN 0.780 nan 8.360 nan 0.000 0.449 2805 T N 1.317 115.874 114.554 0.006 0.000 2.930 2805 T HA -0.006 4.344 4.350 -0.001 0.000 0.306 2805 T C -0.425 174.277 174.700 0.004 0.000 1.045 2805 T CA -0.691 61.412 62.100 0.005 0.000 1.134 2805 T CB 0.207 69.079 68.868 0.006 0.000 0.961 2805 T HN -0.120 nan 8.240 nan 0.000 0.545 2806 D N 2.830 123.231 120.400 0.001 0.000 2.425 2806 D HA 0.493 5.132 4.640 -0.001 0.000 0.247 2806 D C -0.243 176.056 176.300 -0.002 0.000 1.147 2806 D CA 0.460 54.459 54.000 -0.001 0.000 0.879 2806 D CB 0.866 41.664 40.800 -0.003 0.000 1.179 2806 D HN 0.758 nan 8.370 nan 0.000 0.456 2807 A N 2.641 125.457 122.820 -0.006 0.000 2.547 2807 A HA 0.585 4.904 4.320 -0.001 0.000 0.297 2807 A C -0.848 176.723 177.584 -0.022 0.000 1.056 2807 A CA -0.774 51.258 52.037 -0.008 0.000 0.688 2807 A CB 1.605 20.606 19.000 0.002 0.000 1.282 2807 A HN 0.463 nan 8.150 nan 0.000 0.400 2808 E N 0.922 121.103 120.200 -0.032 0.000 2.314 2808 E HA 0.503 4.853 4.350 -0.001 0.000 0.272 2808 E C -1.429 175.118 176.600 -0.089 0.000 0.884 2808 E CA -0.850 55.514 56.400 -0.061 0.000 0.753 2808 E CB 2.311 31.981 29.700 -0.051 0.000 1.213 2808 E HN 0.497 nan 8.360 nan 0.000 0.432 2809 I N 2.197 122.665 120.570 -0.169 0.000 2.428 2809 I HA 0.153 4.323 4.170 -0.001 0.000 0.289 2809 I C 0.040 176.036 176.117 -0.202 0.000 1.019 2809 I CA -0.185 60.944 61.300 -0.285 0.000 1.351 2809 I CB 0.421 38.011 38.000 -0.682 0.000 1.412 2809 I HN 0.187 nan 8.210 nan 0.000 0.513 2810 R N 6.731 127.153 120.500 -0.130 0.000 2.310 2810 R HA 0.431 4.771 4.340 -0.001 0.000 0.316 2810 R C -0.992 175.296 176.300 -0.021 0.000 1.004 2810 R CA -0.765 55.298 56.100 -0.061 0.000 0.900 2810 R CB 0.855 31.143 30.300 -0.020 0.000 1.152 2810 R HN 0.409 nan 8.270 nan 0.000 0.513 2811 I N 3.046 123.594 120.570 -0.036 0.000 2.416 2811 I HA 0.058 4.228 4.170 -0.001 0.000 0.288 2811 I C 1.642 177.780 176.117 0.035 0.000 1.051 2811 I CA 0.321 61.636 61.300 0.025 0.000 1.375 2811 I CB 1.101 39.106 38.000 0.008 0.000 1.407 2811 I HN 0.519 nan 8.210 nan 0.000 0.516 2812 T N 0.020 114.610 114.554 0.059 0.000 3.040 2812 T HA 0.221 4.570 4.350 -0.001 0.000 0.266 2812 T C 0.261 174.985 174.700 0.040 0.000 1.005 2812 T CA -0.227 61.898 62.100 0.042 0.000 0.906 2812 T CB 0.565 69.458 68.868 0.042 0.000 1.082 2812 T HN 0.576 nan 8.240 nan 0.000 0.531 2813 D N 0.843 121.274 120.400 0.051 0.000 2.886 2813 D HA 0.258 4.897 4.640 -0.001 0.000 0.216 2813 D C -2.300 174.030 176.300 0.050 0.000 1.256 2813 D CA -1.691 52.334 54.000 0.043 0.000 0.844 2813 D CB 2.913 43.736 40.800 0.039 0.000 1.669 2813 D HN -0.242 nan 8.370 nan 0.000 0.513 2814 P HA -0.097 nan 4.420 nan 0.000 0.219 2814 P C 1.042 178.367 177.300 0.041 0.000 1.146 2814 P CA 0.836 63.958 63.100 0.036 0.000 0.808 2814 P CB 0.300 32.014 31.700 0.024 0.000 0.779 2815 A N 0.525 123.366 122.820 0.035 0.000 1.930 2815 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 2815 A C 2.394 180.002 177.584 0.040 0.000 1.175 2815 A CA 1.711 53.766 52.037 0.030 0.000 0.627 2815 A CB -1.071 17.940 19.000 0.017 0.000 0.815 2815 A HN 0.159 nan 8.150 nan 0.000 0.443 2816 K N -0.683 119.754 120.400 0.062 0.000 2.103 2816 K HA -0.073 4.246 4.320 -0.001 0.000 0.204 2816 K C 1.843 178.580 176.600 0.229 0.000 1.052 2816 K CA 1.124 57.475 56.287 0.107 0.000 0.945 2816 K CB -0.258 32.323 32.500 0.135 0.000 0.722 2816 K HN 0.305 nan 8.250 nan 0.000 0.443 2817 L N 1.091 122.421 121.223 0.178 0.000 2.043 2817 L HA -0.206 4.134 4.340 -0.001 0.000 0.212 2817 L C 2.029 179.003 176.870 0.173 0.000 1.075 2817 L CA 1.761 56.706 54.840 0.175 0.000 0.752 2817 L CB -0.304 41.806 42.059 0.085 0.000 0.891 2817 L HN 0.282 nan 8.230 nan 0.000 0.432 2818 M N -1.158 118.507 119.600 0.109 0.000 2.254 2818 M HA -0.119 4.361 4.480 -0.001 0.000 0.265 2818 M C 2.129 178.463 176.300 0.056 0.000 1.066 2818 M CA 1.200 56.545 55.300 0.074 0.000 1.123 2818 M CB -1.035 31.591 32.600 0.043 0.000 1.388 2818 M HN 0.352 nan 8.290 nan 0.000 0.425 2819 E N -0.146 120.070 120.200 0.027 0.000 2.097 2819 E HA -0.199 4.151 4.350 -0.001 0.000 0.196 2819 E C 1.865 178.380 176.600 -0.143 0.000 1.000 2819 E CA 1.400 57.746 56.400 -0.090 0.000 0.804 2819 E CB -0.203 29.387 29.700 -0.182 0.000 0.740 2819 E HN 0.400 nan 8.360 nan 0.000 0.454 2820 F N 0.422 120.378 119.950 0.010 0.000 2.163 2820 F HA -0.067 4.459 4.527 -0.000 0.000 0.297 2820 F C 2.217 178.028 175.800 0.017 0.000 1.094 2820 F CA 0.645 58.652 58.000 0.012 0.000 1.290 2820 F CB -0.178 38.828 39.000 0.010 0.000 1.017 2820 F HN -0.047 nan 8.300 nan 0.000 0.483 2821 I N 0.192 120.885 120.570 0.205 0.000 2.194 2821 I HA -0.321 3.848 4.170 -0.001 0.000 0.246 2821 I C 2.054 178.228 176.117 0.094 0.000 1.093 2821 I CA 1.672 63.046 61.300 0.124 0.000 1.355 2821 I CB -0.458 37.595 38.000 0.089 0.000 1.046 2821 I HN 0.221 nan 8.210 nan 0.000 0.413 2822 E N -0.161 120.080 120.200 0.068 0.000 2.274 2822 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 2822 E C 2.025 178.647 176.600 0.038 0.000 0.996 2822 E CA 0.545 56.974 56.400 0.049 0.000 0.840 2822 E CB 0.020 29.733 29.700 0.022 0.000 0.772 2822 E HN 0.370 nan 8.360 nan 0.000 0.491 2823 Q N 1.152 120.969 119.800 0.030 0.000 2.137 2823 Q HA -0.147 4.193 4.340 -0.001 0.000 0.198 2823 Q C 1.433 177.465 176.000 0.054 0.000 0.960 2823 Q CA 1.330 57.143 55.803 0.017 0.000 0.847 2823 Q CB 0.203 28.932 28.738 -0.015 0.000 0.915 2823 Q HN 0.084 nan 8.270 nan 0.000 0.448 2824 E N 0.175 120.429 120.200 0.091 0.000 2.150 2824 E HA -0.135 4.215 4.350 -0.001 0.000 0.193 2824 E C 1.671 178.339 176.600 0.114 0.000 0.985 2824 E CA 1.145 57.603 56.400 0.097 0.000 0.814 2824 E CB 0.066 29.828 29.700 0.103 0.000 0.752 2824 E HN 0.472 nan 8.360 nan 0.000 0.466 2825 E N 0.427 120.704 120.200 0.128 0.000 2.051 2825 E HA -0.208 4.142 4.350 -0.001 0.000 0.192 2825 E C 1.964 178.622 176.600 0.098 0.000 0.991 2825 E CA 1.048 57.574 56.400 0.210 0.000 0.799 2825 E CB -0.059 29.760 29.700 0.198 0.000 0.748 2825 E HN 0.079 nan 8.360 nan 0.000 0.449 2826 K N 0.834 121.244 120.400 0.017 0.000 2.057 2826 K HA -0.170 4.149 4.320 -0.001 0.000 0.207 2826 K C 2.234 178.789 176.600 -0.075 0.000 1.049 2826 K CA 1.195 57.444 56.287 -0.065 0.000 0.931 2826 K CB -0.063 32.414 32.500 -0.039 0.000 0.714 2826 K HN 0.078 nan 8.250 nan 0.000 0.440 2827 M N 0.767 120.359 119.600 -0.012 0.000 2.067 2827 M HA -0.187 4.292 4.480 -0.001 0.000 0.260 2827 M C 1.878 178.174 176.300 -0.007 0.000 1.069 2827 M CA 1.622 56.921 55.300 -0.001 0.000 1.117 2827 M CB -0.071 32.549 32.600 0.034 0.000 1.334 2827 M HN 0.182 nan 8.290 nan 0.000 0.407 2828 L N -0.009 121.238 121.223 0.041 0.000 2.083 2828 L HA -0.218 4.122 4.340 -0.001 0.000 0.209 2828 L C 2.690 179.547 176.870 -0.022 0.000 1.083 2828 L CA 1.057 55.953 54.840 0.093 0.000 0.752 2828 L CB -0.921 41.288 42.059 0.251 0.000 0.899 2828 L HN 0.380 nan 8.230 nan 0.000 0.433 2829 K N 0.401 120.588 120.400 -0.355 0.000 2.097 2829 K HA -0.208 4.111 4.320 -0.001 0.000 0.206 2829 K C 1.402 177.828 176.600 -0.290 0.000 1.049 2829 K CA 1.734 57.599 56.287 -0.703 0.000 0.933 2829 K CB -0.092 31.848 32.500 -0.932 0.000 0.717 2829 K HN 0.277 nan 8.250 nan 0.000 0.442 2830 D N 0.291 120.588 120.400 -0.173 0.000 2.183 2830 D HA -0.094 4.546 4.640 -0.001 0.000 0.203 2830 D C 1.960 178.224 176.300 -0.060 0.000 0.969 2830 D CA 0.688 54.629 54.000 -0.098 0.000 0.842 2830 D CB 0.050 40.810 40.800 -0.067 0.000 0.957 2830 D HN 0.175 nan 8.370 nan 0.000 0.484 2831 M N 0.212 119.787 119.600 -0.042 0.000 2.132 2831 M HA -0.079 4.400 4.480 -0.001 0.000 0.263 2831 M C 2.252 178.546 176.300 -0.010 0.000 1.065 2831 M CA 0.709 56.002 55.300 -0.011 0.000 1.122 2831 M CB -0.736 31.872 32.600 0.013 0.000 1.365 2831 M HN -0.084 nan 8.290 nan 0.000 0.411 2832 V N 0.300 120.204 119.914 -0.017 0.000 2.453 2832 V HA -0.137 3.982 4.120 -0.001 0.000 0.247 2832 V C 2.670 178.745 176.094 -0.031 0.000 1.048 2832 V CA 1.546 63.841 62.300 -0.009 0.000 1.049 2832 V CB -1.235 30.600 31.823 0.020 0.000 0.672 2832 V HN 0.459 nan 8.190 nan 0.000 0.457 2833 A N -0.013 122.772 122.820 -0.058 0.000 1.972 2833 A HA -0.233 4.086 4.320 -0.001 0.000 0.219 2833 A C 2.168 179.732 177.584 -0.034 0.000 1.169 2833 A CA 1.980 53.984 52.037 -0.054 0.000 0.635 2833 A CB -0.395 18.560 19.000 -0.075 0.000 0.810 2833 A HN 0.550 nan 8.150 nan 0.000 0.446 2834 E N 0.291 120.474 120.200 -0.028 0.000 2.072 2834 E HA -0.088 4.261 4.350 -0.001 0.000 0.190 2834 E C 1.683 178.278 176.600 -0.010 0.000 0.982 2834 E CA 1.197 57.587 56.400 -0.016 0.000 0.803 2834 E CB -0.359 29.334 29.700 -0.012 0.000 0.755 2834 E HN 0.635 nan 8.360 nan 0.000 0.453 2835 I N 0.294 120.859 120.570 -0.008 0.000 2.179 2835 I HA -0.253 3.916 4.170 -0.001 0.000 0.242 2835 I C 2.299 178.412 176.117 -0.007 0.000 1.088 2835 I CA 1.268 62.566 61.300 -0.004 0.000 1.357 2835 I CB -0.250 37.747 38.000 -0.004 0.000 1.051 2835 I HN 0.068 nan 8.210 nan 0.000 0.409 2836 K N 1.578 121.971 120.400 -0.013 0.000 2.097 2836 K HA -0.107 4.212 4.320 -0.001 0.000 0.206 2836 K C 2.035 178.628 176.600 -0.012 0.000 1.049 2836 K CA 1.628 57.906 56.287 -0.014 0.000 0.933 2836 K CB -0.356 32.132 32.500 -0.020 0.000 0.717 2836 K HN 0.276 nan 8.250 nan 0.000 0.442 2837 A N -0.167 122.645 122.820 -0.013 0.000 1.933 2837 A HA -0.119 4.201 4.320 -0.001 0.000 0.218 2837 A C 2.183 179.764 177.584 -0.005 0.000 1.175 2837 A CA 2.063 54.093 52.037 -0.010 0.000 0.628 2837 A CB -0.718 18.274 19.000 -0.012 0.000 0.814 2837 A HN 0.354 nan 8.150 nan 0.000 0.444 2838 S N -1.794 113.905 115.700 -0.003 0.000 2.447 2838 S HA 0.233 4.703 4.470 -0.001 0.000 0.233 2838 S C 1.532 176.135 174.600 0.004 0.000 1.006 2838 S CA 1.256 59.457 58.200 0.002 0.000 0.957 2838 S CB -0.121 63.083 63.200 0.006 0.000 0.773 2838 S HN 1.683 nan 8.310 nan 0.000 0.507 2839 G N 0.581 109.381 108.800 0.001 0.000 2.168 2839 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.197 2839 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.197 2839 G C 0.086 174.987 174.900 0.003 0.000 0.997 2839 G CA -0.179 44.922 45.100 0.002 0.000 0.658 2839 G HN 0.804 nan 8.290 nan 0.000 0.513 2840 A N 0.260 123.081 122.820 0.003 0.000 2.407 2840 A HA 0.639 4.958 4.320 -0.001 0.000 0.248 2840 A C 0.937 178.517 177.584 -0.007 0.000 1.082 2840 A CA 0.942 52.981 52.037 0.003 0.000 0.785 2840 A CB 0.251 19.254 19.000 0.005 0.000 1.020 2840 A HN 1.296 nan 8.150 nan 0.000 0.489 2841 N N -0.638 118.055 118.700 -0.011 0.000 2.036 2841 N HA 0.202 4.942 4.740 -0.001 0.000 0.228 2841 N C -0.959 174.523 175.510 -0.045 0.000 1.368 2841 N CA 0.053 53.089 53.050 -0.024 0.000 0.846 2841 N CB 0.483 38.962 38.487 -0.015 0.000 1.145 2841 N HN 0.268 nan 8.380 nan 0.000 0.502 2842 V N 1.518 121.402 119.914 -0.049 0.000 2.656 2842 V HA 0.561 4.681 4.120 -0.001 0.000 0.307 2842 V C -1.147 174.858 176.094 -0.148 0.000 1.051 2842 V CA -0.770 61.457 62.300 -0.122 0.000 0.893 2842 V CB 2.403 34.198 31.823 -0.047 0.000 0.999 2842 V HN 0.230 nan 8.190 nan 0.000 0.426 2843 L N 5.461 126.497 121.223 -0.312 0.000 2.441 2843 L HA 0.615 4.954 4.340 -0.001 0.000 0.270 2843 L C -1.927 174.706 176.870 -0.394 0.000 0.973 2843 L CA -0.104 54.604 54.840 -0.220 0.000 0.842 2843 L CB 1.600 43.590 42.059 -0.115 0.000 1.239 2843 L HN 0.598 nan 8.230 nan 0.000 0.406 2844 F N 4.391 124.345 119.950 0.006 0.000 2.402 2844 F HA 0.360 4.887 4.527 -0.001 0.000 0.355 2844 F C 0.397 176.200 175.800 0.005 0.000 1.123 2844 F CA -0.479 57.523 58.000 0.004 0.000 1.021 2844 F CB 1.491 40.491 39.000 -0.001 0.000 1.160 2844 F HN 0.437 nan 8.300 nan 0.000 0.451 2845 C N 5.190 124.577 119.300 0.145 0.000 2.281 2845 C HA 0.221 4.680 4.460 -0.001 0.000 0.325 2845 C C 1.625 176.668 174.990 0.088 0.000 1.282 2845 C CA -0.473 58.599 59.018 0.091 0.000 1.640 2845 C CB 0.648 28.418 27.740 0.050 0.000 2.288 2845 C HN 0.960 nan 8.230 nan 0.000 0.507 2846 Q N 3.532 123.374 119.800 0.070 0.000 2.170 2846 Q HA -0.062 4.277 4.340 -0.001 0.000 0.203 2846 Q C 0.751 176.774 176.000 0.038 0.000 0.976 2846 Q CA 1.631 57.463 55.803 0.049 0.000 0.858 2846 Q CB 0.188 28.946 28.738 0.034 0.000 0.907 2846 Q HN 0.761 nan 8.270 nan 0.000 0.433 2847 K N -1.159 119.262 120.400 0.036 0.000 2.632 2847 K HA 0.446 4.765 4.320 -0.001 0.000 0.267 2847 K C 0.319 176.936 176.600 0.030 0.000 1.028 2847 K CA -0.202 56.102 56.287 0.028 0.000 1.045 2847 K CB 0.189 32.703 32.500 0.024 0.000 1.400 2847 K HN 0.112 nan 8.250 nan 0.000 0.522 2848 G N 0.261 109.076 108.800 0.024 0.000 2.599 2848 G HA2 0.436 4.396 3.960 -0.001 0.000 0.264 2848 G HA3 0.436 4.396 3.960 -0.001 0.000 0.264 2848 G C -0.529 174.385 174.900 0.023 0.000 1.200 2848 G CA -0.527 44.586 45.100 0.022 0.000 0.896 2848 G HN 0.367 nan 8.290 nan 0.000 0.536 2849 I N 0.245 120.828 120.570 0.021 0.000 2.499 2849 I HA 0.169 4.339 4.170 -0.001 0.000 0.288 2849 I C -0.494 175.637 176.117 0.022 0.000 1.048 2849 I CA -0.788 60.525 61.300 0.023 0.000 1.062 2849 I CB 2.158 40.168 38.000 0.017 0.000 1.238 2849 I HN 0.429 nan 8.210 nan 0.000 0.426 2850 D N 5.315 125.733 120.400 0.031 0.000 2.443 2850 D HA -0.074 4.566 4.640 -0.001 0.000 0.239 2850 D C 0.756 177.067 176.300 0.018 0.000 1.136 2850 D CA 0.062 54.079 54.000 0.028 0.000 0.879 2850 D CB 1.330 42.156 40.800 0.043 0.000 1.195 2850 D HN 0.638 nan 8.370 nan 0.000 0.443 2851 D N 3.566 123.967 120.400 0.002 0.000 2.158 2851 D HA -0.257 4.383 4.640 -0.001 0.000 0.197 2851 D C 1.955 178.233 176.300 -0.036 0.000 0.995 2851 D CA 0.777 54.768 54.000 -0.015 0.000 0.846 2851 D CB -0.372 40.414 40.800 -0.024 0.000 0.941 2851 D HN 0.362 nan 8.370 nan 0.000 0.456 2852 L N 0.561 121.756 121.223 -0.047 0.000 2.072 2852 L HA 0.148 4.488 4.340 -0.001 0.000 0.205 2852 L C 2.378 179.162 176.870 -0.144 0.000 1.079 2852 L CA 1.860 56.619 54.840 -0.135 0.000 0.752 2852 L CB -0.991 41.017 42.059 -0.085 0.000 0.906 2852 L HN 0.103 nan 8.230 nan 0.000 0.436 2853 A N -1.129 121.720 122.820 0.048 0.000 1.972 2853 A HA -0.244 4.076 4.320 -0.001 0.000 0.219 2853 A C 2.165 179.805 177.584 0.093 0.000 1.169 2853 A CA 1.731 53.867 52.037 0.166 0.000 0.635 2853 A CB -0.520 18.561 19.000 0.136 0.000 0.810 2853 A HN 0.667 nan 8.150 nan 0.000 0.446 2854 Q N -1.653 118.168 119.800 0.035 0.000 2.124 2854 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 2854 Q C 2.046 178.055 176.000 0.016 0.000 0.977 2854 Q CA 1.681 57.496 55.803 0.020 0.000 0.850 2854 Q CB -0.318 28.427 28.738 0.011 0.000 0.901 2854 Q HN 0.933 nan 8.270 nan 0.000 0.429 2855 H N -0.389 118.612 119.070 -0.115 0.000 2.353 2855 H HA -0.173 4.383 4.556 -0.001 0.000 0.300 2855 H C 1.357 176.633 175.328 -0.087 0.000 1.090 2855 H CA 1.718 57.676 56.048 -0.151 0.000 1.327 2855 H CB -0.080 29.517 29.762 -0.275 0.000 1.383 2855 H HN 0.224 nan 8.280 nan 0.000 0.508 2856 Y N 0.176 120.453 120.300 -0.039 0.000 2.224 2856 Y HA -0.133 4.417 4.550 -0.001 0.000 0.289 2856 Y C 2.567 178.404 175.900 -0.104 0.000 1.146 2856 Y CA 1.040 59.087 58.100 -0.089 0.000 1.182 2856 Y CB -0.643 37.815 38.460 -0.004 0.000 0.983 2856 Y HN 0.219 nan 8.280 nan 0.000 0.524 2857 L N -1.038 120.233 121.223 0.079 0.000 2.046 2857 L HA -0.225 4.115 4.340 -0.001 0.000 0.208 2857 L C 2.641 179.490 176.870 -0.035 0.000 1.077 2857 L CA 1.235 56.084 54.840 0.014 0.000 0.747 2857 L CB -0.830 41.230 42.059 0.003 0.000 0.896 2857 L HN 0.183 nan 8.230 nan 0.000 0.432 2858 A N -0.120 122.659 122.820 -0.069 0.000 1.930 2858 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 2858 A C 2.368 179.880 177.584 -0.119 0.000 1.175 2858 A CA 1.824 53.805 52.037 -0.092 0.000 0.627 2858 A CB -0.425 18.518 19.000 -0.096 0.000 0.815 2858 A HN 0.327 nan 8.150 nan 0.000 0.443 2859 K N -0.426 119.866 120.400 -0.180 0.000 2.147 2859 K HA -0.142 4.177 4.320 -0.001 0.000 0.205 2859 K C 1.031 177.596 176.600 -0.059 0.000 1.049 2859 K CA 1.484 57.685 56.287 -0.143 0.000 0.936 2859 K CB 0.005 32.420 32.500 -0.140 0.000 0.722 2859 K HN 0.335 nan 8.250 nan 0.000 0.446 2860 E N -0.718 119.459 120.200 -0.039 0.000 2.479 2860 E HA 0.058 4.408 4.350 -0.001 0.000 0.193 2860 E C 0.687 177.270 176.600 -0.028 0.000 1.049 2860 E CA 0.665 57.049 56.400 -0.026 0.000 0.870 2860 E CB 0.828 30.517 29.700 -0.018 0.000 0.944 2860 E HN 0.538 nan 8.360 nan 0.000 0.492 2861 G N 1.925 110.703 108.800 -0.036 0.000 2.160 2861 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.244 2861 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.244 2861 G C 0.228 175.108 174.900 -0.034 0.000 1.022 2861 G CA 0.100 45.180 45.100 -0.032 0.000 0.741 2861 G HN 0.271 nan 8.290 nan 0.000 0.508 2862 I N 1.135 121.681 120.570 -0.040 0.000 2.325 2862 I HA 0.403 4.573 4.170 -0.001 0.000 0.291 2862 I C 1.073 177.150 176.117 -0.066 0.000 1.019 2862 I CA -1.055 60.216 61.300 -0.049 0.000 1.302 2862 I CB 1.492 39.467 38.000 -0.043 0.000 1.401 2862 I HN 0.153 nan 8.210 nan 0.000 0.485 2863 V N 3.906 123.769 119.914 -0.085 0.000 2.546 2863 V HA 0.905 5.025 4.120 -0.001 0.000 0.284 2863 V C 0.094 176.071 176.094 -0.195 0.000 1.050 2863 V CA -0.254 61.979 62.300 -0.112 0.000 0.981 2863 V CB 1.100 32.865 31.823 -0.098 0.000 0.990 2863 V HN 0.834 nan 8.190 nan 0.000 0.474 2864 A N 3.532 126.237 122.820 -0.191 0.000 2.549 2864 A HA 1.015 5.335 4.320 -0.001 0.000 0.297 2864 A C -0.400 177.066 177.584 -0.196 0.000 1.061 2864 A CA -0.288 51.606 52.037 -0.238 0.000 0.690 2864 A CB 1.818 20.739 19.000 -0.133 0.000 1.287 2864 A HN 2.381 nan 8.150 nan 0.000 0.402 2865 A N 1.389 124.077 122.820 -0.220 0.000 2.449 2865 A HA 0.847 5.167 4.320 -0.001 0.000 0.302 2865 A C -0.302 177.295 177.584 0.022 0.000 1.048 2865 A CA -0.607 51.399 52.037 -0.053 0.000 0.708 2865 A CB 1.156 20.183 19.000 0.045 0.000 1.274 2865 A HN 1.404 nan 8.150 nan 0.000 0.410 2866 R N 1.388 121.910 120.500 0.037 0.000 2.832 2866 R HA 0.795 5.135 4.340 -0.001 0.000 0.271 2866 R C -0.470 175.861 176.300 0.052 0.000 0.996 2866 R CA -0.768 55.359 56.100 0.044 0.000 0.977 2866 R CB 0.801 31.116 30.300 0.025 0.000 1.168 2866 R HN 0.577 nan 8.270 nan 0.000 0.482 2867 R N -0.138 120.391 120.500 0.048 0.000 3.532 2867 R HA -0.097 4.243 4.340 -0.001 0.000 0.284 2867 R C -0.773 175.553 176.300 0.043 0.000 1.140 2867 R CA 0.602 56.725 56.100 0.038 0.000 0.768 2867 R CB -2.351 27.965 30.300 0.027 0.000 1.252 2867 R HN 0.548 nan 8.270 nan 0.000 0.454 2868 V N 1.497 121.449 119.914 0.063 0.000 2.572 2868 V HA 0.063 4.183 4.120 -0.001 0.000 0.291 2868 V C 1.426 177.531 176.094 0.018 0.000 1.039 2868 V CA -0.112 62.222 62.300 0.057 0.000 1.055 2868 V CB 1.333 33.217 31.823 0.101 0.000 0.969 2868 V HN 0.137 nan 8.190 nan 0.000 0.482 2869 K N 4.153 124.551 120.400 -0.004 0.000 2.448 2869 K HA 0.029 4.349 4.320 -0.001 0.000 0.278 2869 K C 1.388 177.974 176.600 -0.022 0.000 1.009 2869 K CA -0.243 56.036 56.287 -0.014 0.000 0.995 2869 K CB 0.356 32.841 32.500 -0.025 0.000 0.917 2869 K HN 0.609 nan 8.250 nan 0.000 0.481 2870 K N 2.140 122.532 120.400 -0.014 0.000 2.074 2870 K HA -0.197 4.123 4.320 -0.001 0.000 0.209 2870 K C 1.766 178.349 176.600 -0.028 0.000 1.048 2870 K CA 1.956 58.234 56.287 -0.016 0.000 0.926 2870 K CB -0.230 32.265 32.500 -0.009 0.000 0.713 2870 K HN 0.683 nan 8.250 nan 0.000 0.444 2871 S N 1.039 116.720 115.700 -0.031 0.000 2.359 2871 S HA -0.163 4.306 4.470 -0.001 0.000 0.224 2871 S C 1.378 175.942 174.600 -0.061 0.000 1.035 2871 S CA 1.796 59.972 58.200 -0.040 0.000 1.018 2871 S CB -0.217 62.961 63.200 -0.036 0.000 0.876 2871 S HN 0.303 nan 8.310 nan 0.000 0.448 2872 D N 0.837 121.192 120.400 -0.076 0.000 2.144 2872 D HA -0.044 4.595 4.640 -0.001 0.000 0.199 2872 D C 2.001 178.208 176.300 -0.155 0.000 0.984 2872 D CA 0.924 54.850 54.000 -0.123 0.000 0.834 2872 D CB -0.252 40.470 40.800 -0.130 0.000 0.955 2872 D HN 0.384 nan 8.370 nan 0.000 0.465 2873 M N 0.450 119.986 119.600 -0.107 0.000 2.159 2873 M HA -0.082 4.398 4.480 -0.001 0.000 0.263 2873 M C 1.902 178.156 176.300 -0.077 0.000 1.063 2873 M CA 1.193 56.438 55.300 -0.091 0.000 1.110 2873 M CB -0.776 31.804 32.600 -0.033 0.000 1.374 2873 M HN 0.111 nan 8.290 nan 0.000 0.411 2874 E N 0.087 120.251 120.200 -0.061 0.000 2.072 2874 E HA -0.135 4.214 4.350 -0.001 0.000 0.190 2874 E C 2.061 178.628 176.600 -0.056 0.000 0.982 2874 E CA 0.837 57.209 56.400 -0.046 0.000 0.803 2874 E CB -0.006 29.673 29.700 -0.034 0.000 0.755 2874 E HN 0.500 nan 8.360 nan 0.000 0.453 2875 K N 0.647 121.003 120.400 -0.075 0.000 2.097 2875 K HA -0.095 4.224 4.320 -0.001 0.000 0.206 2875 K C 2.199 178.745 176.600 -0.091 0.000 1.049 2875 K CA 0.806 57.047 56.287 -0.077 0.000 0.933 2875 K CB -0.087 32.359 32.500 -0.090 0.000 0.717 2875 K HN 0.110 nan 8.250 nan 0.000 0.442 2876 L N 0.507 121.649 121.223 -0.135 0.000 2.083 2876 L HA -0.182 4.158 4.340 -0.001 0.000 0.209 2876 L C 2.585 179.412 176.870 -0.072 0.000 1.083 2876 L CA 1.082 55.832 54.840 -0.149 0.000 0.752 2876 L CB -0.547 41.348 42.059 -0.274 0.000 0.899 2876 L HN 0.198 nan 8.230 nan 0.000 0.433 2877 A N -0.268 122.520 122.820 -0.052 0.000 1.898 2877 A HA -0.166 4.153 4.320 -0.001 0.000 0.216 2877 A C 2.340 179.917 177.584 -0.012 0.000 1.181 2877 A CA 1.319 53.344 52.037 -0.020 0.000 0.620 2877 A CB -0.241 18.750 19.000 -0.015 0.000 0.819 2877 A HN 0.187 nan 8.150 nan 0.000 0.442 2878 K N -0.006 120.382 120.400 -0.020 0.000 2.002 2878 K HA -0.064 4.256 4.320 -0.001 0.000 0.209 2878 K C 2.342 178.941 176.600 -0.002 0.000 1.048 2878 K CA 1.444 57.724 56.287 -0.011 0.000 0.930 2878 K CB -0.876 31.614 32.500 -0.016 0.000 0.714 2878 K HN 0.435 nan 8.250 nan 0.000 0.438 2879 A N 1.269 124.083 122.820 -0.011 0.000 1.841 2879 A HA -0.146 4.173 4.320 -0.001 0.000 0.214 2879 A C 2.379 179.972 177.584 0.014 0.000 1.195 2879 A CA 2.726 54.762 52.037 -0.001 0.000 0.611 2879 A CB -1.073 17.917 19.000 -0.016 0.000 0.835 2879 A HN 0.517 nan 8.150 nan 0.000 0.443 2880 T N -4.479 110.080 114.554 0.010 0.000 3.043 2880 T HA 0.369 4.718 4.350 -0.001 0.000 0.263 2880 T C 1.489 176.209 174.700 0.032 0.000 1.094 2880 T CA 1.250 63.365 62.100 0.025 0.000 1.127 2880 T CB -0.066 68.821 68.868 0.032 0.000 0.905 2880 T HN 1.832 nan 8.240 nan 0.000 0.490 2881 G N 1.467 110.282 108.800 0.025 0.000 2.143 2881 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.249 2881 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.249 2881 G C 0.280 175.195 174.900 0.025 0.000 0.981 2881 G CA -0.004 45.111 45.100 0.026 0.000 0.665 2881 G HN 1.185 nan 8.290 nan 0.000 0.528 2882 A N -0.283 122.553 122.820 0.027 0.000 2.445 2882 A HA 0.560 4.880 4.320 -0.001 0.000 0.242 2882 A C 0.428 178.028 177.584 0.026 0.000 1.075 2882 A CA 0.674 52.732 52.037 0.035 0.000 0.777 2882 A CB 0.390 19.421 19.000 0.052 0.000 1.013 2882 A HN 0.884 nan 8.150 nan 0.000 0.493 2883 N N 1.493 120.211 118.700 0.030 0.000 2.417 2883 N HA 0.375 5.114 4.740 -0.001 0.000 0.274 2883 N C -1.007 174.519 175.510 0.027 0.000 0.987 2883 N CA -0.420 52.643 53.050 0.023 0.000 0.912 2883 N CB 1.374 39.873 38.487 0.020 0.000 1.177 2883 N HN 0.283 nan 8.380 nan 0.000 0.490 2884 V N 4.816 124.743 119.914 0.022 0.000 2.485 2884 V HA 0.177 4.296 4.120 -0.001 0.000 0.287 2884 V C 0.335 176.443 176.094 0.022 0.000 1.022 2884 V CA -0.070 62.245 62.300 0.025 0.000 1.067 2884 V CB -0.115 31.717 31.823 0.016 0.000 0.967 2884 V HN 0.516 nan 8.190 nan 0.000 0.479 2885 I N 4.128 124.714 120.570 0.027 0.000 2.404 2885 I HA 0.423 4.592 4.170 -0.001 0.000 0.293 2885 I C 1.026 177.156 176.117 0.022 0.000 0.992 2885 I CA -0.369 60.944 61.300 0.022 0.000 1.149 2885 I CB 1.406 39.419 38.000 0.022 0.000 1.315 2885 I HN 0.626 nan 8.210 nan 0.000 0.446 2886 A N 5.382 128.212 122.820 0.017 0.000 1.872 2886 A HA 0.313 4.632 4.320 -0.001 0.000 0.214 2886 A C 1.111 178.705 177.584 0.017 0.000 1.187 2886 A CA 1.117 53.164 52.037 0.016 0.000 0.614 2886 A CB -0.037 18.971 19.000 0.013 0.000 0.826 2886 A HN 0.734 nan 8.150 nan 0.000 0.442 2887 A N -0.904 121.925 122.820 0.015 0.000 2.317 2887 A HA 0.654 4.973 4.320 -0.001 0.000 0.327 2887 A C 0.768 178.361 177.584 0.015 0.000 1.178 2887 A CA -0.600 51.446 52.037 0.015 0.000 0.817 2887 A CB 0.422 19.429 19.000 0.012 0.000 1.189 2887 A HN 0.306 nan 8.150 nan 0.000 0.489 2888 I N 1.900 122.479 120.570 0.015 0.000 2.264 2888 I HA -0.311 3.858 4.170 -0.001 0.000 0.248 2888 I C 2.753 178.876 176.117 0.010 0.000 1.111 2888 I CA 1.799 63.107 61.300 0.014 0.000 1.382 2888 I CB -0.207 37.802 38.000 0.014 0.000 1.060 2888 I HN 0.760 nan 8.210 nan 0.000 0.418 2889 A N 0.657 123.483 122.820 0.009 0.000 1.972 2889 A HA -0.128 4.191 4.320 -0.001 0.000 0.219 2889 A C 2.422 180.009 177.584 0.006 0.000 1.169 2889 A CA 1.722 53.762 52.037 0.006 0.000 0.635 2889 A CB -0.656 18.347 19.000 0.006 0.000 0.810 2889 A HN 0.447 nan 8.150 nan 0.000 0.446 2890 A N -0.700 122.125 122.820 0.009 0.000 2.206 2890 A HA 0.341 4.660 4.320 -0.001 0.000 0.211 2890 A C 0.915 178.505 177.584 0.010 0.000 1.158 2890 A CA -0.124 51.918 52.037 0.009 0.000 0.761 2890 A CB -0.494 18.512 19.000 0.010 0.000 0.801 2890 A HN 0.457 nan 8.150 nan 0.000 0.473 2891 L N 1.526 122.755 121.223 0.010 0.000 2.490 2891 L HA 0.193 4.533 4.340 -0.001 0.000 0.274 2891 L C 0.719 177.594 176.870 0.009 0.000 1.201 2891 L CA 0.168 55.015 54.840 0.011 0.000 0.869 2891 L CB 0.559 42.625 42.059 0.011 0.000 1.123 2891 L HN 0.470 nan 8.230 nan 0.000 0.484 2892 S N 1.316 117.022 115.700 0.010 0.000 2.651 2892 S HA 0.612 5.081 4.470 -0.001 0.000 0.279 2892 S C 0.438 175.044 174.600 0.011 0.000 1.148 2892 S CA -0.283 57.922 58.200 0.009 0.000 0.837 2892 S CB 1.652 64.857 63.200 0.008 0.000 1.138 2892 S HN 0.598 nan 8.310 nan 0.000 0.478 2893 A N 0.591 123.417 122.820 0.009 0.000 1.978 2893 A HA -0.068 4.252 4.320 -0.001 0.000 0.220 2893 A C 1.947 179.539 177.584 0.014 0.000 1.170 2893 A CA 1.332 53.376 52.037 0.011 0.000 0.636 2893 A CB -0.845 18.161 19.000 0.009 0.000 0.810 2893 A HN 0.731 nan 8.150 nan 0.000 0.448 2894 Q N 0.120 119.927 119.800 0.013 0.000 2.436 2894 Q HA -0.091 4.249 4.340 -0.001 0.000 0.209 2894 Q C 0.389 176.399 176.000 0.017 0.000 0.965 2894 Q CA 0.938 56.749 55.803 0.014 0.000 0.910 2894 Q CB -0.189 28.556 28.738 0.011 0.000 0.980 2894 Q HN 0.658 nan 8.270 nan 0.000 0.491 2895 D N -0.184 120.227 120.400 0.018 0.000 2.339 2895 D HA 0.083 4.723 4.640 -0.001 0.000 0.217 2895 D C 0.407 176.724 176.300 0.028 0.000 1.050 2895 D CA 0.104 54.117 54.000 0.022 0.000 0.856 2895 D CB 0.606 41.419 40.800 0.021 0.000 0.922 2895 D HN 0.197 nan 8.370 nan 0.000 0.518 2896 L N 0.778 122.018 121.223 0.028 0.000 2.371 2896 L HA 0.430 4.769 4.340 -0.001 0.000 0.272 2896 L C 1.122 178.013 176.870 0.036 0.000 1.124 2896 L CA -0.530 54.331 54.840 0.034 0.000 0.816 2896 L CB 1.391 43.467 42.059 0.029 0.000 1.129 2896 L HN -0.137 nan 8.230 nan 0.000 0.448 2897 G N 1.121 109.948 108.800 0.045 0.000 2.471 2897 G HA2 0.480 4.440 3.960 -0.001 0.000 0.332 2897 G HA3 0.480 4.440 3.960 -0.001 0.000 0.332 2897 G C -1.246 173.681 174.900 0.046 0.000 1.176 2897 G CA -0.459 44.667 45.100 0.044 0.000 0.949 2897 G HN 0.520 nan 8.290 nan 0.000 0.488 2898 D N -0.179 120.245 120.400 0.041 0.000 2.248 2898 D HA 0.621 5.260 4.640 -0.001 0.000 0.246 2898 D C -0.286 176.033 176.300 0.033 0.000 1.027 2898 D CA 0.042 54.062 54.000 0.034 0.000 0.853 2898 D CB 2.137 42.952 40.800 0.026 0.000 1.243 2898 D HN 0.580 nan 8.370 nan 0.000 0.462 2899 A N 0.426 123.267 122.820 0.035 0.000 2.486 2899 A HA 0.628 4.948 4.320 -0.001 0.000 0.300 2899 A C 0.928 178.528 177.584 0.026 0.000 1.048 2899 A CA -0.419 51.639 52.037 0.035 0.000 0.696 2899 A CB 1.718 20.755 19.000 0.062 0.000 1.278 2899 A HN 0.500 nan 8.150 nan 0.000 0.405 2900 G N 0.224 109.034 108.800 0.016 0.000 2.404 2900 G HA2 0.291 4.250 3.960 -0.001 0.000 0.215 2900 G HA3 0.291 4.250 3.960 -0.001 0.000 0.215 2900 G C 0.306 175.218 174.900 0.021 0.000 1.174 2900 G CA 1.682 46.788 45.100 0.009 0.000 0.780 2900 G HN 1.159 nan 8.290 nan 0.000 0.537 2901 L N -0.049 121.196 121.223 0.036 0.000 2.493 2901 L HA 0.647 4.987 4.340 -0.001 0.000 0.265 2901 L C -1.355 175.563 176.870 0.079 0.000 0.954 2901 L CA -0.807 54.061 54.840 0.046 0.000 0.844 2901 L CB 2.578 44.657 42.059 0.033 0.000 1.302 2901 L HN -0.121 nan 8.230 nan 0.000 0.405 2902 V N 4.428 124.393 119.914 0.084 0.000 2.376 2902 V HA 0.638 4.758 4.120 -0.001 0.000 0.287 2902 V C -0.538 175.620 176.094 0.106 0.000 1.015 2902 V CA -0.441 61.932 62.300 0.122 0.000 0.834 2902 V CB 1.420 33.319 31.823 0.128 0.000 1.001 2902 V HN 0.829 nan 8.190 nan 0.000 0.428 2903 E N 3.154 123.441 120.200 0.145 0.000 2.308 2903 E HA 0.388 4.738 4.350 -0.001 0.000 0.275 2903 E C -1.019 175.687 176.600 0.177 0.000 0.890 2903 E CA -0.655 55.817 56.400 0.119 0.000 0.754 2903 E CB 2.194 31.938 29.700 0.073 0.000 1.207 2903 E HN 0.751 nan 8.360 nan 0.000 0.426 2904 E N 4.330 124.604 120.200 0.123 0.000 2.152 2904 E HA 0.237 4.587 4.350 -0.001 0.000 0.285 2904 E C -0.908 175.769 176.600 0.127 0.000 1.043 2904 E CA -0.206 56.273 56.400 0.133 0.000 0.839 2904 E CB 0.679 30.425 29.700 0.078 0.000 1.069 2904 E HN 0.351 nan 8.360 nan 0.000 0.399 2905 R N 3.703 124.322 120.500 0.199 0.000 2.686 2905 R HA 0.396 4.735 4.340 -0.001 0.000 0.283 2905 R C -0.819 175.578 176.300 0.162 0.000 0.978 2905 R CA -0.908 55.281 56.100 0.148 0.000 0.897 2905 R CB 2.021 32.382 30.300 0.101 0.000 1.192 2905 R HN 0.333 nan 8.270 nan 0.000 0.457 2906 K N 2.686 123.142 120.400 0.094 0.000 2.367 2906 K HA 0.406 4.725 4.320 -0.001 0.000 0.263 2906 K C -0.884 175.759 176.600 0.072 0.000 1.000 2906 K CA -0.490 55.845 56.287 0.080 0.000 0.891 2906 K CB 1.214 33.743 32.500 0.049 0.000 1.117 2906 K HN 0.290 nan 8.250 nan 0.000 0.443 2907 I N 1.689 122.314 120.570 0.092 0.000 2.382 2907 I HA 0.083 4.253 4.170 -0.001 0.000 0.286 2907 I C 0.575 176.724 176.117 0.054 0.000 1.002 2907 I CA -0.053 61.293 61.300 0.076 0.000 1.135 2907 I CB 1.907 39.977 38.000 0.118 0.000 1.288 2907 I HN 0.666 nan 8.210 nan 0.000 0.448 2908 S N 4.433 120.155 115.700 0.036 0.000 3.672 2908 S HA -0.181 4.288 4.470 -0.001 0.000 0.319 2908 S C 1.264 175.877 174.600 0.022 0.000 1.151 2908 S CA 1.370 59.585 58.200 0.025 0.000 0.911 2908 S CB -1.248 61.965 63.200 0.023 0.000 0.939 2908 S HN 1.697 nan 8.310 nan 0.000 0.524 2909 G N -0.020 108.794 108.800 0.024 0.000 2.383 2909 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.229 2909 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.229 2909 G C -0.294 174.621 174.900 0.026 0.000 1.089 2909 G CA 0.291 45.404 45.100 0.021 0.000 0.640 2909 G HN 0.688 nan 8.290 nan 0.000 0.510 2910 D N 1.266 121.683 120.400 0.029 0.000 2.345 2910 D HA 0.471 5.110 4.640 -0.001 0.000 0.247 2910 D C 0.446 176.773 176.300 0.045 0.000 1.108 2910 D CA 0.646 54.663 54.000 0.029 0.000 0.894 2910 D CB 1.573 42.386 40.800 0.021 0.000 1.203 2910 D HN 0.258 nan 8.370 nan 0.000 0.430 2911 S N 2.049 117.773 115.700 0.041 0.000 2.523 2911 S HA 0.482 4.951 4.470 -0.001 0.000 0.275 2911 S C -0.132 174.498 174.600 0.050 0.000 1.281 2911 S CA -0.728 57.505 58.200 0.056 0.000 1.050 2911 S CB 0.047 63.275 63.200 0.046 0.000 0.937 2911 S HN 0.406 nan 8.310 nan 0.000 0.492 2912 M N 4.536 124.182 119.600 0.078 0.000 2.421 2912 M HA 0.524 5.003 4.480 -0.001 0.000 0.287 2912 M C -1.867 174.471 176.300 0.064 0.000 1.183 2912 M CA -0.642 54.666 55.300 0.013 0.000 0.916 2912 M CB 1.085 33.638 32.600 -0.079 0.000 1.701 2912 M HN 0.419 nan 8.290 nan 0.000 0.470 2913 I N 2.919 123.493 120.570 0.006 0.000 2.336 2913 I HA 0.421 4.591 4.170 -0.001 0.000 0.292 2913 I C -1.169 174.929 176.117 -0.033 0.000 0.991 2913 I CA -0.393 60.973 61.300 0.110 0.000 1.227 2913 I CB 1.114 39.234 38.000 0.199 0.000 1.366 2913 I HN 0.503 nan 8.210 nan 0.000 0.466 2914 F N 5.829 125.817 119.950 0.063 0.000 2.391 2914 F HA 0.351 4.878 4.527 -0.001 0.000 0.359 2914 F C 0.138 175.972 175.800 0.056 0.000 1.122 2914 F CA -0.647 57.379 58.000 0.042 0.000 1.120 2914 F CB 1.287 40.303 39.000 0.027 0.000 1.142 2914 F HN 0.031 nan 8.300 nan 0.000 0.483 2915 V N 4.383 124.388 119.914 0.152 0.000 2.293 2915 V HA 0.352 4.471 4.120 -0.001 0.000 0.275 2915 V C -0.306 175.846 176.094 0.098 0.000 1.021 2915 V CA -0.559 61.812 62.300 0.118 0.000 0.815 2915 V CB 0.484 32.347 31.823 0.066 0.000 1.025 2915 V HN 0.824 nan 8.190 nan 0.000 0.448 2916 E N 3.044 123.308 120.200 0.107 0.000 2.433 2916 E HA 0.644 4.994 4.350 -0.001 0.000 0.273 2916 E C -0.691 175.938 176.600 0.048 0.000 0.950 2916 E CA -0.872 55.578 56.400 0.083 0.000 0.796 2916 E CB 1.616 31.383 29.700 0.110 0.000 1.330 2916 E HN 0.193 nan 8.360 nan 0.000 0.455 2917 E N -0.957 119.260 120.200 0.028 0.000 2.513 2917 E HA -0.161 4.188 4.350 -0.001 0.000 0.257 2917 E C -0.490 176.104 176.600 -0.010 0.000 1.098 2917 E CA 0.678 57.080 56.400 0.005 0.000 0.752 2917 E CB -2.478 27.224 29.700 0.004 0.000 1.324 2917 E HN 0.593 nan 8.360 nan 0.000 0.403 2918 C N 0.471 119.767 119.300 -0.007 0.000 2.705 2918 C HA 0.071 4.531 4.460 -0.001 0.000 0.382 2918 C C 2.362 177.308 174.990 -0.073 0.000 1.322 2918 C CA -0.066 58.941 59.018 -0.018 0.000 2.290 2918 C CB 0.423 28.164 27.740 0.002 0.000 2.650 2918 C HN 0.408 nan 8.230 nan 0.000 0.695 2919 K N 0.303 120.641 120.400 -0.102 0.000 1.969 2919 K HA -0.106 4.213 4.320 -0.001 0.000 0.216 2919 K C 0.416 176.718 176.600 -0.497 0.000 1.048 2919 K CA 1.470 57.592 56.287 -0.275 0.000 0.948 2919 K CB -0.114 32.276 32.500 -0.184 0.000 0.726 2919 K HN 0.671 nan 8.250 nan 0.000 0.442 2920 H N 0.245 119.321 119.070 0.010 0.000 2.448 2920 H HA 0.225 4.781 4.556 -0.001 0.000 0.237 2920 H C -2.506 172.826 175.328 0.006 0.000 1.391 2920 H CA -2.012 54.041 56.048 0.007 0.000 1.477 2920 H CB 0.613 30.378 29.762 0.006 0.000 1.520 2920 H HN 0.189 nan 8.280 nan 0.000 0.502 2921 P HA 0.069 nan 4.420 nan 0.000 0.271 2921 P C 0.682 178.010 177.300 0.047 0.000 1.226 2921 P CA -0.406 62.721 63.100 0.045 0.000 0.765 2921 P CB 1.673 33.387 31.700 0.023 0.000 0.835 2922 K N 0.938 121.358 120.400 0.034 0.000 2.358 2922 K HA 0.376 4.695 4.320 -0.001 0.000 0.197 2922 K C 0.597 177.203 176.600 0.010 0.000 1.025 2922 K CA 0.003 56.304 56.287 0.023 0.000 1.104 2922 K CB 0.739 33.251 32.500 0.019 0.000 0.855 2922 K HN 0.551 nan 8.250 nan 0.000 0.531 2923 A N 0.897 123.720 122.820 0.005 0.000 2.486 2923 A HA 0.620 4.940 4.320 -0.001 0.000 0.300 2923 A C -0.558 177.023 177.584 -0.005 0.000 1.048 2923 A CA -0.714 51.319 52.037 -0.006 0.000 0.696 2923 A CB 1.516 20.504 19.000 -0.019 0.000 1.278 2923 A HN -0.063 nan 8.150 nan 0.000 0.405 2924 V N -1.216 118.694 119.914 -0.006 0.000 3.102 2924 V HA 0.979 5.099 4.120 -0.001 0.000 0.312 2924 V C -0.433 175.654 176.094 -0.011 0.000 1.135 2924 V CA -0.621 61.678 62.300 -0.002 0.000 1.022 2924 V CB 1.639 33.467 31.823 0.008 0.000 1.056 2924 V HN 0.900 nan 8.190 nan 0.000 0.436 2925 T N 3.331 117.881 114.554 -0.005 0.000 2.886 2925 T HA 0.580 4.930 4.350 -0.001 0.000 0.292 2925 T C -0.632 174.072 174.700 0.006 0.000 1.012 2925 T CA -0.259 61.831 62.100 -0.017 0.000 0.982 2925 T CB 1.515 70.353 68.868 -0.051 0.000 1.018 2925 T HN 0.982 nan 8.240 nan 0.000 0.451 2926 M N 4.257 123.857 119.600 0.001 0.000 2.066 2926 M HA 0.540 5.020 4.480 -0.001 0.000 0.340 2926 M C -1.501 174.808 176.300 0.014 0.000 1.053 2926 M CA -1.102 54.207 55.300 0.015 0.000 0.983 2926 M CB 0.570 33.176 32.600 0.010 0.000 1.520 2926 M HN 0.476 nan 8.290 nan 0.000 0.428 2927 L N 7.579 128.825 121.223 0.039 0.000 2.255 2927 L HA 0.524 4.864 4.340 -0.001 0.000 0.289 2927 L C -1.230 175.664 176.870 0.041 0.000 1.046 2927 L CA 0.064 54.932 54.840 0.047 0.000 0.816 2927 L CB 0.512 42.637 42.059 0.110 0.000 1.197 2927 L HN 0.672 nan 8.230 nan 0.000 0.427 2928 I N 5.883 126.468 120.570 0.025 0.000 2.331 2928 I HA 0.437 4.607 4.170 -0.001 0.000 0.292 2928 I C 0.136 176.267 176.117 0.022 0.000 0.998 2928 I CA -0.586 60.727 61.300 0.021 0.000 1.267 2928 I CB 0.581 38.588 38.000 0.013 0.000 1.386 2928 I HN 0.526 nan 8.210 nan 0.000 0.476 2929 R N 4.124 124.638 120.500 0.023 0.000 2.873 2929 R HA 0.899 5.239 4.340 -0.001 0.000 0.264 2929 R C -0.272 176.038 176.300 0.017 0.000 1.026 2929 R CA -1.041 55.071 56.100 0.021 0.000 1.002 2929 R CB 1.944 32.259 30.300 0.025 0.000 1.174 2929 R HN 0.864 nan 8.270 nan 0.000 0.488 2930 G N -1.033 107.775 108.800 0.015 0.000 2.340 2930 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.298 2930 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.298 2930 G C -0.074 174.834 174.900 0.013 0.000 1.498 2930 G CA -0.249 44.859 45.100 0.015 0.000 0.847 2930 G HN 0.377 nan 8.290 nan 0.000 0.594 2931 T N -0.552 114.011 114.554 0.015 0.000 3.035 2931 T HA 0.316 4.665 4.350 -0.001 0.000 0.268 2931 T C 0.776 175.485 174.700 0.014 0.000 1.109 2931 T CA 2.112 64.221 62.100 0.014 0.000 1.119 2931 T CB -0.235 68.642 68.868 0.016 0.000 0.900 2931 T HN 0.699 nan 8.240 nan 0.000 0.503 2932 T N 0.194 114.757 114.554 0.016 0.000 2.894 2932 T HA 0.298 4.647 4.350 -0.001 0.000 0.309 2932 T C 0.284 174.980 174.700 -0.007 0.000 1.208 2932 T CA -0.682 61.426 62.100 0.013 0.000 1.016 2932 T CB 2.160 71.054 68.868 0.043 0.000 1.192 2932 T HN -0.078 nan 8.240 nan 0.000 0.491 2933 E N 0.708 120.872 120.200 -0.061 0.000 2.085 2933 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 2933 E C 1.566 178.084 176.600 -0.136 0.000 0.994 2933 E CA 1.837 58.157 56.400 -0.133 0.000 0.801 2933 E CB -0.060 29.500 29.700 -0.234 0.000 0.743 2933 E HN 0.609 nan 8.360 nan 0.000 0.453 2934 H N -0.886 118.187 119.070 0.005 0.000 2.495 2934 H HA 0.019 4.574 4.556 -0.001 0.000 0.287 2934 H C 2.035 177.366 175.328 0.005 0.000 1.033 2934 H CA 1.147 57.197 56.048 0.004 0.000 1.307 2934 H CB 0.112 29.877 29.762 0.004 0.000 1.401 2934 H HN 0.113 nan 8.280 nan 0.000 0.555 2935 V N 1.968 121.948 119.914 0.109 0.000 2.283 2935 V HA -0.200 3.919 4.120 -0.001 0.000 0.243 2935 V C 2.655 178.775 176.094 0.043 0.000 1.039 2935 V CA 1.669 64.007 62.300 0.065 0.000 1.016 2935 V CB -0.518 31.332 31.823 0.046 0.000 0.650 2935 V HN 0.401 nan 8.190 nan 0.000 0.449 2936 I N -1.079 119.506 120.570 0.026 0.000 2.756 2936 I HA -0.149 4.020 4.170 -0.001 0.000 0.262 2936 I C 2.239 178.365 176.117 0.015 0.000 1.225 2936 I CA 1.856 63.165 61.300 0.015 0.000 1.472 2936 I CB -0.498 37.503 38.000 0.003 0.000 1.094 2936 I HN 0.421 nan 8.210 nan 0.000 0.454 2937 E N 1.800 122.013 120.200 0.022 0.000 2.046 2937 E HA -0.272 4.078 4.350 -0.001 0.000 0.190 2937 E C 2.232 178.857 176.600 0.042 0.000 0.982 2937 E CA 1.060 57.480 56.400 0.033 0.000 0.800 2937 E CB -0.144 29.593 29.700 0.061 0.000 0.756 2937 E HN 0.542 nan 8.360 nan 0.000 0.449 2938 E N 0.597 120.829 120.200 0.054 0.000 2.153 2938 E HA -0.148 4.202 4.350 -0.001 0.000 0.194 2938 E C 2.093 178.711 176.600 0.029 0.000 0.988 2938 E CA 1.041 57.466 56.400 0.041 0.000 0.811 2938 E CB 0.102 29.827 29.700 0.043 0.000 0.746 2938 E HN 0.215 nan 8.360 nan 0.000 0.466 2939 V N 1.375 121.305 119.914 0.027 0.000 2.358 2939 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 2939 V C 2.666 178.770 176.094 0.017 0.000 1.047 2939 V CA 1.630 63.942 62.300 0.021 0.000 1.035 2939 V CB -0.928 30.907 31.823 0.020 0.000 0.658 2939 V HN 0.359 nan 8.190 nan 0.000 0.452 2940 A N 0.508 123.337 122.820 0.015 0.000 1.908 2940 A HA -0.302 4.017 4.320 -0.001 0.000 0.218 2940 A C 2.310 179.900 177.584 0.011 0.000 1.181 2940 A CA 2.435 54.478 52.037 0.010 0.000 0.627 2940 A CB -0.552 18.452 19.000 0.007 0.000 0.818 2940 A HN 0.469 nan 8.150 nan 0.000 0.445 2941 R N 0.035 120.544 120.500 0.014 0.000 2.075 2941 R HA 0.010 4.350 4.340 -0.001 0.000 0.232 2941 R C 2.175 178.482 176.300 0.012 0.000 1.126 2941 R CA 1.886 57.993 56.100 0.013 0.000 0.963 2941 R CB -0.893 29.416 30.300 0.016 0.000 0.858 2941 R HN 0.394 nan 8.270 nan 0.000 0.435 2942 A N 0.134 122.963 122.820 0.015 0.000 1.883 2942 A HA -0.140 4.180 4.320 -0.001 0.000 0.217 2942 A C 2.225 179.817 177.584 0.013 0.000 1.186 2942 A CA 2.075 54.121 52.037 0.016 0.000 0.624 2942 A CB -0.970 18.041 19.000 0.019 0.000 0.822 2942 A HN 0.330 nan 8.150 nan 0.000 0.444 2943 V N -2.435 117.486 119.914 0.012 0.000 2.871 2943 V HA -0.118 4.002 4.120 -0.001 0.000 0.256 2943 V C 1.913 178.011 176.094 0.007 0.000 1.082 2943 V CA 2.018 64.324 62.300 0.010 0.000 1.105 2943 V CB -0.661 31.168 31.823 0.009 0.000 0.713 2943 V HN 0.549 nan 8.190 nan 0.000 0.473 2944 D N 1.518 121.922 120.400 0.007 0.000 2.104 2944 D HA -0.262 4.377 4.640 -0.001 0.000 0.194 2944 D C 1.625 177.928 176.300 0.005 0.000 0.994 2944 D CA 2.298 56.301 54.000 0.004 0.000 0.830 2944 D CB -0.068 40.734 40.800 0.004 0.000 0.959 2944 D HN 0.601 nan 8.370 nan 0.000 0.452 2945 D N 0.109 120.513 120.400 0.007 0.000 2.144 2945 D HA -0.061 4.579 4.640 -0.001 0.000 0.200 2945 D C 2.040 178.344 176.300 0.007 0.000 0.978 2945 D CA 1.370 55.374 54.000 0.007 0.000 0.833 2945 D CB -0.262 40.543 40.800 0.008 0.000 0.961 2945 D HN 0.254 nan 8.370 nan 0.000 0.470 2946 A N 0.385 123.210 122.820 0.008 0.000 1.908 2946 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 2946 A C 2.364 179.952 177.584 0.006 0.000 1.181 2946 A CA 1.183 53.225 52.037 0.008 0.000 0.627 2946 A CB -0.840 18.165 19.000 0.009 0.000 0.818 2946 A HN 0.152 nan 8.150 nan 0.000 0.445 2947 V N -0.116 119.801 119.914 0.005 0.000 2.295 2947 V HA -0.197 3.923 4.120 -0.001 0.000 0.246 2947 V C 2.829 178.926 176.094 0.004 0.000 1.049 2947 V CA 2.011 64.313 62.300 0.004 0.000 1.024 2947 V CB -1.493 30.331 31.823 0.003 0.000 0.648 2947 V HN 0.618 nan 8.190 nan 0.000 0.447 2948 G N 0.457 109.260 108.800 0.004 0.000 2.446 2948 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.217 2948 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.217 2948 G C 1.724 176.626 174.900 0.004 0.000 1.168 2948 G CA 1.663 46.765 45.100 0.003 0.000 0.771 2948 G HN 0.594 nan 8.290 nan 0.000 0.551 2949 V N -1.441 118.476 119.914 0.005 0.000 2.591 2949 V HA -0.009 4.110 4.120 -0.001 0.000 0.249 2949 V C 2.652 178.749 176.094 0.005 0.000 1.053 2949 V CA 1.368 63.671 62.300 0.005 0.000 1.068 2949 V CB -0.484 31.343 31.823 0.007 0.000 0.689 2949 V HN 0.132 nan 8.190 nan 0.000 0.462 2950 V N 1.990 121.907 119.914 0.005 0.000 2.453 2950 V HA -0.024 4.096 4.120 -0.001 0.000 0.247 2950 V C 2.904 179.000 176.094 0.004 0.000 1.048 2950 V CA 2.137 64.440 62.300 0.005 0.000 1.049 2950 V CB -1.296 30.530 31.823 0.005 0.000 0.672 2950 V HN 0.625 nan 8.190 nan 0.000 0.457 2951 G N -1.117 107.685 108.800 0.004 0.000 2.422 2951 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.218 2951 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.218 2951 G C 1.722 176.624 174.900 0.003 0.000 1.146 2951 G CA 1.291 46.393 45.100 0.003 0.000 0.769 2951 G HN 0.536 nan 8.290 nan 0.000 0.547 2952 C N 0.542 119.844 119.300 0.003 0.000 2.429 2952 C HA -0.024 4.436 4.460 -0.001 0.000 0.277 2952 C C 3.208 178.200 174.990 0.004 0.000 1.262 2952 C CA 1.505 60.525 59.018 0.003 0.000 1.733 2952 C CB -1.037 26.706 27.740 0.004 0.000 2.010 2952 C HN 0.427 nan 8.230 nan 0.000 0.483 2953 T N 1.101 115.658 114.554 0.004 0.000 2.833 2953 T HA -0.043 4.307 4.350 -0.001 0.000 0.269 2953 T C 1.566 176.268 174.700 0.003 0.000 1.054 2953 T CA 1.204 63.307 62.100 0.004 0.000 1.135 2953 T CB -0.212 68.659 68.868 0.004 0.000 0.869 2953 T HN 0.515 nan 8.240 nan 0.000 0.466 2954 I N 0.462 121.034 120.570 0.003 0.000 2.480 2954 I HA -0.017 4.153 4.170 -0.001 0.000 0.251 2954 I C 2.518 178.637 176.117 0.002 0.000 1.124 2954 I CA 0.941 62.242 61.300 0.003 0.000 1.444 2954 I CB -0.212 37.790 38.000 0.003 0.000 1.098 2954 I HN 0.227 nan 8.210 nan 0.000 0.428 2955 E N 0.133 120.334 120.200 0.002 0.000 2.110 2955 E HA -0.176 4.174 4.350 -0.001 0.000 0.193 2955 E C 0.533 177.134 176.600 0.002 0.000 0.988 2955 E CA 0.829 57.230 56.400 0.002 0.000 0.804 2955 E CB 0.166 29.867 29.700 0.002 0.000 0.745 2955 E HN 0.257 nan 8.360 nan 0.000 0.458 2956 D N -1.045 119.357 120.400 0.002 0.000 2.620 2956 D HA 0.126 4.765 4.640 -0.001 0.000 0.252 2956 D C -0.195 176.107 176.300 0.003 0.000 1.207 2956 D CA -0.363 53.638 54.000 0.002 0.000 0.884 2956 D CB 1.596 42.397 40.800 0.002 0.000 1.262 2956 D HN 0.056 nan 8.370 nan 0.000 0.552 2957 G N 3.398 112.199 108.800 0.002 0.000 3.374 2957 G HA2 0.084 4.044 3.960 -0.001 0.000 0.252 2957 G HA3 0.084 4.044 3.960 -0.001 0.000 0.252 2957 G C 0.405 175.307 174.900 0.003 0.000 1.326 2957 G CA -0.141 44.961 45.100 0.003 0.000 1.133 2957 G HN 0.293 nan 8.290 nan 0.000 0.528 2958 R N -0.459 120.043 120.500 0.004 0.000 2.621 2958 R HA 0.621 4.961 4.340 -0.001 0.000 0.292 2958 R C -0.760 175.544 176.300 0.006 0.000 0.969 2958 R CA -0.788 55.315 56.100 0.005 0.000 0.887 2958 R CB 2.043 32.346 30.300 0.005 0.000 1.180 2958 R HN 0.265 nan 8.270 nan 0.000 0.450 2959 I N -1.051 119.523 120.570 0.007 0.000 3.002 2959 I HA 0.774 4.944 4.170 -0.001 0.000 0.310 2959 I C -0.537 175.588 176.117 0.012 0.000 1.087 2959 I CA -1.188 60.118 61.300 0.009 0.000 1.017 2959 I CB 2.083 40.088 38.000 0.009 0.000 1.226 2959 I HN 0.359 nan 8.210 nan 0.000 0.443 2960 V N -0.143 119.780 119.914 0.015 0.000 2.962 2960 V HA 0.820 4.940 4.120 -0.001 0.000 0.313 2960 V C 0.060 176.168 176.094 0.024 0.000 1.099 2960 V CA -0.467 61.846 62.300 0.021 0.000 0.971 2960 V CB 1.125 32.960 31.823 0.020 0.000 1.028 2960 V HN 1.139 nan 8.190 nan 0.000 0.430 2961 S N 2.181 117.901 115.700 0.033 0.000 2.562 2961 S HA 0.650 5.119 4.470 -0.001 0.000 0.281 2961 S C 0.589 175.209 174.600 0.033 0.000 1.333 2961 S CA 0.160 58.383 58.200 0.037 0.000 1.052 2961 S CB 0.867 64.098 63.200 0.052 0.000 0.884 2961 S HN 1.772 nan 8.310 nan 0.000 0.506 2962 G N 0.576 109.395 108.800 0.032 0.000 2.630 2962 G HA2 0.532 4.492 3.960 -0.001 0.000 0.223 2962 G HA3 0.532 4.492 3.960 -0.001 0.000 0.223 2962 G C 0.931 175.847 174.900 0.027 0.000 1.434 2962 G CA -0.541 44.575 45.100 0.027 0.000 1.057 2962 G HN 2.040 nan 8.290 nan 0.000 0.570 2963 G N -1.917 106.899 108.800 0.026 0.000 2.225 2963 G HA2 0.232 4.191 3.960 -0.001 0.000 0.267 2963 G HA3 0.232 4.191 3.960 -0.001 0.000 0.267 2963 G C 1.478 176.375 174.900 -0.006 0.000 1.024 2963 G CA 1.214 46.326 45.100 0.020 0.000 0.784 2963 G HN 2.457 nan 8.290 nan 0.000 0.507 2964 G N -1.400 107.387 108.800 -0.021 0.000 2.162 2964 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.260 2964 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.260 2964 G C 1.510 176.359 174.900 -0.086 0.000 0.976 2964 G CA 1.693 46.761 45.100 -0.053 0.000 0.655 2964 G HN 1.957 nan 8.290 nan 0.000 0.533 2965 S N 0.119 115.787 115.700 -0.053 0.000 2.370 2965 S HA -0.184 4.286 4.470 -0.001 0.000 0.226 2965 S C 2.800 177.315 174.600 -0.141 0.000 1.033 2965 S CA 2.848 61.002 58.200 -0.076 0.000 1.011 2965 S CB -0.592 62.660 63.200 0.086 0.000 0.852 2965 S HN 1.399 nan 8.310 nan 0.000 0.457 2966 T N 0.024 114.545 114.554 -0.054 0.000 2.614 2966 T HA -0.095 4.254 4.350 -0.001 0.000 0.263 2966 T C 1.568 176.215 174.700 -0.089 0.000 1.055 2966 T CA 1.624 63.699 62.100 -0.041 0.000 1.162 2966 T CB -1.064 67.794 68.868 -0.017 0.000 0.863 2966 T HN 0.417 nan 8.240 nan 0.000 0.414 2967 E N 0.937 121.081 120.200 -0.092 0.000 2.187 2967 E HA -0.076 4.273 4.350 -0.001 0.000 0.199 2967 E C 2.240 178.759 176.600 -0.135 0.000 1.004 2967 E CA 0.968 57.306 56.400 -0.102 0.000 0.813 2967 E CB -0.705 28.935 29.700 -0.099 0.000 0.736 2967 E HN 0.436 nan 8.360 nan 0.000 0.468 2968 V N 0.436 120.217 119.914 -0.223 0.000 2.453 2968 V HA -0.201 3.919 4.120 -0.001 0.000 0.247 2968 V C 2.263 178.170 176.094 -0.311 0.000 1.048 2968 V CA 1.762 63.879 62.300 -0.305 0.000 1.049 2968 V CB -0.367 31.174 31.823 -0.471 0.000 0.672 2968 V HN 0.217 nan 8.190 nan 0.000 0.457 2969 E N 0.783 120.771 120.200 -0.354 0.000 2.077 2969 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 2969 E C 2.017 178.628 176.600 0.019 0.000 0.989 2969 E CA 1.574 57.974 56.400 0.000 0.000 0.800 2969 E CB -0.420 29.365 29.700 0.141 0.000 0.746 2969 E HN 0.553 nan 8.360 nan 0.000 0.452 2970 L N -0.009 121.203 121.223 -0.017 0.000 2.046 2970 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 2970 L C 2.666 179.554 176.870 0.031 0.000 1.077 2970 L CA 1.355 56.204 54.840 0.015 0.000 0.747 2970 L CB -0.670 41.393 42.059 0.006 0.000 0.896 2970 L HN 0.195 nan 8.230 nan 0.000 0.432 2971 S N -0.313 115.384 115.700 -0.006 0.000 2.356 2971 S HA -0.200 4.270 4.470 -0.001 0.000 0.223 2971 S C 2.126 176.749 174.600 0.038 0.000 1.032 2971 S CA 1.260 59.465 58.200 0.008 0.000 1.005 2971 S CB -0.017 63.167 63.200 -0.027 0.000 0.867 2971 S HN 0.212 nan 8.310 nan 0.000 0.449 2972 M N 0.887 120.509 119.600 0.037 0.000 2.117 2972 M HA 0.033 4.512 4.480 -0.001 0.000 0.262 2972 M C 1.997 178.343 176.300 0.076 0.000 1.065 2972 M CA 1.465 56.804 55.300 0.064 0.000 1.114 2972 M CB -0.996 31.661 32.600 0.096 0.000 1.361 2972 M HN 0.239 nan 8.290 nan 0.000 0.408 2973 K N -0.007 120.440 120.400 0.079 0.000 2.211 2973 K HA 0.193 4.513 4.320 -0.001 0.000 0.201 2973 K C 2.066 178.737 176.600 0.117 0.000 1.052 2973 K CA 0.569 56.907 56.287 0.085 0.000 0.973 2973 K CB -0.226 32.312 32.500 0.064 0.000 0.766 2973 K HN 0.352 nan 8.250 nan 0.000 0.466 2974 L N 0.350 121.645 121.223 0.120 0.000 2.240 2974 L HA -0.011 4.329 4.340 -0.001 0.000 0.211 2974 L C 2.300 179.295 176.870 0.209 0.000 1.106 2974 L CA 0.748 55.702 54.840 0.189 0.000 0.793 2974 L CB -0.195 41.979 42.059 0.192 0.000 0.927 2974 L HN 0.076 nan 8.230 nan 0.000 0.446 2975 R N 0.038 120.622 120.500 0.140 0.000 2.148 2975 R HA -0.116 4.223 4.340 -0.001 0.000 0.223 2975 R C 1.977 178.334 176.300 0.095 0.000 1.088 2975 R CA 0.981 57.145 56.100 0.107 0.000 0.985 2975 R CB -0.052 30.293 30.300 0.075 0.000 0.880 2975 R HN 0.446 nan 8.270 nan 0.000 0.451 2976 E N -0.498 119.767 120.200 0.109 0.000 2.112 2976 E HA -0.172 4.178 4.350 -0.001 0.000 0.190 2976 E C 1.437 178.107 176.600 0.116 0.000 0.979 2976 E CA 0.676 57.133 56.400 0.094 0.000 0.814 2976 E CB -0.052 29.702 29.700 0.090 0.000 0.762 2976 E HN 0.280 nan 8.360 nan 0.000 0.460 2977 Y N 1.593 121.909 120.300 0.027 0.000 2.224 2977 Y HA -0.207 4.342 4.550 -0.001 0.000 0.289 2977 Y C 2.180 178.091 175.900 0.019 0.000 1.146 2977 Y CA 1.256 59.368 58.100 0.020 0.000 1.182 2977 Y CB -0.382 38.088 38.460 0.018 0.000 0.983 2977 Y HN -0.013 nan 8.280 nan 0.000 0.524 2978 A N 0.239 123.063 122.820 0.006 0.000 1.940 2978 A HA -0.180 4.139 4.320 -0.001 0.000 0.219 2978 A C 2.119 179.649 177.584 -0.090 0.000 1.176 2978 A CA 1.858 53.862 52.037 -0.055 0.000 0.631 2978 A CB -0.532 18.497 19.000 0.047 0.000 0.814 2978 A HN 0.523 nan 8.150 nan 0.000 0.446 2979 E N -0.497 119.673 120.200 -0.051 0.000 2.072 2979 E HA -0.127 4.222 4.350 -0.001 0.000 0.191 2979 E C 2.185 178.739 176.600 -0.077 0.000 0.985 2979 E CA 1.171 57.545 56.400 -0.043 0.000 0.801 2979 E CB -0.694 29.000 29.700 -0.010 0.000 0.750 2979 E HN 0.590 nan 8.360 nan 0.000 0.452 2980 G N 1.298 110.028 108.800 -0.117 0.000 2.422 2980 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.218 2980 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.218 2980 G C 1.584 176.375 174.900 -0.182 0.000 1.140 2980 G CA 0.247 45.267 45.100 -0.135 0.000 0.775 2980 G HN 0.110 nan 8.290 nan 0.000 0.545 2981 I N 0.211 120.619 120.570 -0.270 0.000 2.233 2981 I HA 0.025 4.195 4.170 -0.001 0.000 0.243 2981 I C 1.678 177.717 176.117 -0.129 0.000 1.093 2981 I CA 1.026 62.180 61.300 -0.243 0.000 1.380 2981 I CB -1.117 36.696 38.000 -0.311 0.000 1.067 2981 I HN 0.300 nan 8.210 nan 0.000 0.413 2982 S N -1.112 114.527 115.700 -0.101 0.000 3.513 2982 S HA -0.107 4.363 4.470 -0.001 0.000 0.636 2982 S C 0.750 175.323 174.600 -0.046 0.000 2.452 2982 S CA 1.349 59.514 58.200 -0.059 0.000 2.644 2982 S CB -1.364 61.806 63.200 -0.050 0.000 0.331 2982 S HN 1.421 nan 8.310 nan 0.000 1.787 2983 G N 1.121 109.902 108.800 -0.031 0.000 2.578 2983 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.275 2983 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.275 2983 G C 0.341 175.233 174.900 -0.014 0.000 1.271 2983 G CA 1.639 46.725 45.100 -0.022 0.000 0.941 2983 G HN 1.879 nan 8.290 nan 0.000 0.564 2984 R N 0.403 120.897 120.500 -0.009 0.000 2.236 2984 R HA 0.228 4.568 4.340 -0.001 0.000 0.208 2984 R C 2.003 178.302 176.300 -0.001 0.000 1.036 2984 R CA 1.646 57.746 56.100 0.000 0.000 1.001 2984 R CB -0.201 30.102 30.300 0.006 0.000 0.896 2984 R HN 0.665 nan 8.270 nan 0.000 0.464 2985 E N 1.569 121.761 120.200 -0.013 0.000 2.204 2985 E HA -0.219 4.130 4.350 -0.001 0.000 0.194 2985 E C 1.810 178.405 176.600 -0.008 0.000 0.989 2985 E CA 1.434 57.824 56.400 -0.017 0.000 0.824 2985 E CB 0.063 29.741 29.700 -0.037 0.000 0.756 2985 E HN 0.596 nan 8.360 nan 0.000 0.477 2986 Q N 0.685 120.475 119.800 -0.017 0.000 2.230 2986 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 2986 Q C 1.985 178.008 176.000 0.038 0.000 0.963 2986 Q CA 0.951 56.748 55.803 -0.009 0.000 0.866 2986 Q CB -0.307 28.417 28.738 -0.024 0.000 0.931 2986 Q HN 0.207 nan 8.270 nan 0.000 0.452 2987 L N 0.346 121.594 121.223 0.041 0.000 2.109 2987 L HA 0.178 4.518 4.340 -0.001 0.000 0.207 2987 L C 2.245 179.183 176.870 0.114 0.000 1.086 2987 L CA 1.796 56.675 54.840 0.065 0.000 0.760 2987 L CB -0.986 41.099 42.059 0.045 0.000 0.910 2987 L HN 0.302 nan 8.230 nan 0.000 0.437 2988 A N -1.152 121.732 122.820 0.107 0.000 1.898 2988 A HA -0.126 4.194 4.320 -0.001 0.000 0.216 2988 A C 2.232 180.026 177.584 0.349 0.000 1.181 2988 A CA 1.943 54.086 52.037 0.177 0.000 0.620 2988 A CB -1.004 18.012 19.000 0.027 0.000 0.819 2988 A HN 0.265 nan 8.150 nan 0.000 0.442 2989 V N -0.177 119.874 119.914 0.228 0.000 2.427 2989 V HA -0.207 3.913 4.120 -0.001 0.000 0.248 2989 V C 2.619 178.872 176.094 0.265 0.000 1.051 2989 V CA 2.151 64.604 62.300 0.254 0.000 1.048 2989 V CB -0.775 31.157 31.823 0.181 0.000 0.666 2989 V HN 0.620 nan 8.190 nan 0.000 0.456 2990 R N 0.082 120.693 120.500 0.184 0.000 2.096 2990 R HA -0.128 4.211 4.340 -0.001 0.000 0.235 2990 R C 2.257 178.644 176.300 0.144 0.000 1.127 2990 R CA 1.545 57.730 56.100 0.142 0.000 0.968 2990 R CB -0.345 30.011 30.300 0.093 0.000 0.861 2990 R HN 0.503 nan 8.270 nan 0.000 0.440 2991 A N 0.029 122.959 122.820 0.183 0.000 1.929 2991 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 2991 A C 1.894 179.548 177.584 0.117 0.000 1.176 2991 A CA 0.817 52.953 52.037 0.163 0.000 0.628 2991 A CB -0.633 18.506 19.000 0.231 0.000 0.816 2991 A HN 0.479 nan 8.150 nan 0.000 0.444 2992 F N 1.151 121.115 119.950 0.023 0.000 2.095 2992 F HA -0.150 4.376 4.527 -0.001 0.000 0.298 2992 F C 2.528 178.259 175.800 -0.115 0.000 1.104 2992 F CA 1.488 59.371 58.000 -0.195 0.000 1.232 2992 F CB -0.363 38.572 39.000 -0.109 0.000 0.987 2992 F HN 0.249 nan 8.300 nan 0.000 0.475 2993 A N -0.435 122.470 122.820 0.142 0.000 1.902 2993 A HA -0.241 4.079 4.320 -0.001 0.000 0.217 2993 A C 1.983 179.533 177.584 -0.056 0.000 1.181 2993 A CA 1.951 54.016 52.037 0.046 0.000 0.623 2993 A CB -1.175 17.896 19.000 0.118 0.000 0.818 2993 A HN 0.498 nan 8.150 nan 0.000 0.443 2994 D N 0.021 120.402 120.400 -0.032 0.000 2.123 2994 D HA -0.073 4.567 4.640 -0.001 0.000 0.196 2994 D C 2.044 178.280 176.300 -0.107 0.000 0.992 2994 D CA 1.621 55.592 54.000 -0.049 0.000 0.833 2994 D CB -0.248 40.545 40.800 -0.012 0.000 0.954 2994 D HN 0.334 nan 8.370 nan 0.000 0.455 2995 A N -0.117 122.595 122.820 -0.179 0.000 1.898 2995 A HA -0.087 4.232 4.320 -0.001 0.000 0.216 2995 A C 2.147 179.573 177.584 -0.263 0.000 1.181 2995 A CA 0.902 52.796 52.037 -0.237 0.000 0.620 2995 A CB -0.670 18.121 19.000 -0.349 0.000 0.819 2995 A HN 0.300 nan 8.150 nan 0.000 0.442 2996 L N 0.218 121.243 121.223 -0.330 0.000 2.191 2996 L HA -0.125 4.215 4.340 -0.001 0.000 0.212 2996 L C 2.141 178.911 176.870 -0.166 0.000 1.103 2996 L CA 1.726 56.401 54.840 -0.275 0.000 0.769 2996 L CB -0.800 41.085 42.059 -0.290 0.000 0.908 2996 L HN 0.482 nan 8.230 nan 0.000 0.438 2997 E N -1.373 118.746 120.200 -0.135 0.000 2.333 2997 E HA -0.180 4.170 4.350 -0.001 0.000 0.198 2997 E C 2.262 178.809 176.600 -0.090 0.000 1.007 2997 E CA 0.730 57.071 56.400 -0.098 0.000 0.845 2997 E CB -0.159 29.497 29.700 -0.074 0.000 0.766 2997 E HN 0.291 nan 8.360 nan 0.000 0.507 2998 V N 1.131 120.984 119.914 -0.101 0.000 2.720 2998 V HA -0.212 3.907 4.120 -0.001 0.000 0.256 2998 V C 1.717 177.764 176.094 -0.078 0.000 1.082 2998 V CA 1.088 63.337 62.300 -0.085 0.000 1.101 2998 V CB -0.205 31.563 31.823 -0.092 0.000 0.693 2998 V HN 0.258 nan 8.190 nan 0.000 0.479 2999 I N 0.603 121.122 120.570 -0.086 0.000 2.162 2999 I HA -0.035 4.135 4.170 -0.001 0.000 0.238 2999 I C 0.222 176.300 176.117 -0.065 0.000 1.076 2999 I CA 1.467 62.722 61.300 -0.074 0.000 1.353 2999 I CB -2.838 35.115 38.000 -0.078 0.000 1.063 2999 I HN 0.311 nan 8.210 nan 0.000 0.408 3000 P HA -0.171 nan 4.420 nan 0.000 0.216 3000 P C 1.798 179.066 177.300 -0.053 0.000 1.154 3000 P CA 1.755 64.819 63.100 -0.060 0.000 0.865 3000 P CB -0.159 31.500 31.700 -0.068 0.000 0.789 3001 R N -1.467 119.000 120.500 -0.054 0.000 2.075 3001 R HA -0.023 4.316 4.340 -0.001 0.000 0.232 3001 R C 2.033 178.304 176.300 -0.048 0.000 1.126 3001 R CA 1.719 57.790 56.100 -0.048 0.000 0.963 3001 R CB -1.006 29.266 30.300 -0.048 0.000 0.858 3001 R HN 0.199 nan 8.270 nan 0.000 0.435 3002 T N 1.080 115.603 114.554 -0.052 0.000 3.051 3002 T HA 0.132 4.481 4.350 -0.001 0.000 0.255 3002 T C 1.807 176.474 174.700 -0.055 0.000 1.085 3002 T CA 0.138 62.207 62.100 -0.052 0.000 1.109 3002 T CB 0.143 68.980 68.868 -0.052 0.000 0.921 3002 T HN 0.063 nan 8.240 nan 0.000 0.488 3003 L N 0.952 122.141 121.223 -0.057 0.000 2.043 3003 L HA -0.171 4.168 4.340 -0.001 0.000 0.212 3003 L C 2.823 179.649 176.870 -0.074 0.000 1.075 3003 L CA 1.640 56.441 54.840 -0.064 0.000 0.752 3003 L CB -0.442 41.583 42.059 -0.056 0.000 0.891 3003 L HN 0.257 nan 8.230 nan 0.000 0.432 3004 A N -1.253 121.529 122.820 -0.063 0.000 2.030 3004 A HA -0.119 4.200 4.320 -0.001 0.000 0.215 3004 A C 2.185 179.735 177.584 -0.058 0.000 1.164 3004 A CA 0.702 52.701 52.037 -0.063 0.000 0.697 3004 A CB -0.260 18.710 19.000 -0.049 0.000 0.827 3004 A HN 0.416 nan 8.150 nan 0.000 0.457 3005 E N 0.628 120.798 120.200 -0.051 0.000 2.070 3005 E HA -0.261 4.089 4.350 -0.001 0.000 0.197 3005 E C 1.373 177.943 176.600 -0.050 0.000 1.004 3005 E CA 1.625 57.998 56.400 -0.046 0.000 0.805 3005 E CB -0.130 29.544 29.700 -0.042 0.000 0.744 3005 E HN 0.540 nan 8.360 nan 0.000 0.451 3006 N N -0.038 118.628 118.700 -0.058 0.000 2.396 3006 N HA -0.073 4.666 4.740 -0.001 0.000 0.180 3006 N C 1.361 176.827 175.510 -0.074 0.000 1.028 3006 N CA 1.022 54.035 53.050 -0.061 0.000 0.893 3006 N CB -0.144 38.305 38.487 -0.064 0.000 0.967 3006 N HN 0.227 nan 8.380 nan 0.000 0.440 3007 A N 0.061 122.828 122.820 -0.088 0.000 2.119 3007 A HA 0.300 4.619 4.320 -0.001 0.000 0.216 3007 A C 1.466 179.009 177.584 -0.069 0.000 1.152 3007 A CA 1.052 53.029 52.037 -0.101 0.000 0.708 3007 A CB -0.383 18.541 19.000 -0.127 0.000 0.805 3007 A HN 0.306 nan 8.150 nan 0.000 0.460 3008 G N -1.330 107.437 108.800 -0.054 0.000 2.142 3008 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.225 3008 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.225 3008 G C -0.050 174.829 174.900 -0.034 0.000 1.015 3008 G CA 0.279 45.355 45.100 -0.039 0.000 0.716 3008 G HN 0.438 nan 8.290 nan 0.000 0.508 3009 L N -0.147 121.053 121.223 -0.038 0.000 2.387 3009 L HA 0.548 4.887 4.340 -0.001 0.000 0.266 3009 L C 0.357 177.211 176.870 -0.026 0.000 1.059 3009 L CA -1.096 53.726 54.840 -0.031 0.000 0.801 3009 L CB 0.913 42.951 42.059 -0.035 0.000 1.223 3009 L HN 0.099 nan 8.230 nan 0.000 0.456 3010 D N 0.723 121.111 120.400 -0.020 0.000 2.338 3010 D HA 0.199 4.838 4.640 -0.001 0.000 0.255 3010 D C 0.740 177.029 176.300 -0.019 0.000 1.237 3010 D CA -0.007 53.983 54.000 -0.017 0.000 0.883 3010 D CB 1.850 42.642 40.800 -0.012 0.000 1.087 3010 D HN 0.588 nan 8.370 nan 0.000 0.485 3011 A N 5.216 128.023 122.820 -0.021 0.000 1.978 3011 A HA -0.179 4.141 4.320 -0.001 0.000 0.220 3011 A C 2.065 179.638 177.584 -0.018 0.000 1.170 3011 A CA 0.890 52.913 52.037 -0.023 0.000 0.636 3011 A CB -0.328 18.657 19.000 -0.025 0.000 0.810 3011 A HN 0.700 nan 8.150 nan 0.000 0.448 3012 I N -0.533 120.029 120.570 -0.014 0.000 2.235 3012 I HA -0.153 4.017 4.170 -0.001 0.000 0.241 3012 I C 2.434 178.547 176.117 -0.008 0.000 1.085 3012 I CA 1.681 62.975 61.300 -0.011 0.000 1.378 3012 I CB -1.463 36.532 38.000 -0.008 0.000 1.076 3012 I HN 0.572 nan 8.210 nan 0.000 0.415 3013 E N 1.555 121.751 120.200 -0.007 0.000 2.051 3013 E HA -0.218 4.131 4.350 -0.001 0.000 0.192 3013 E C 2.336 178.934 176.600 -0.003 0.000 0.991 3013 E CA 1.636 58.034 56.400 -0.004 0.000 0.799 3013 E CB -0.094 29.604 29.700 -0.004 0.000 0.748 3013 E HN 0.590 nan 8.360 nan 0.000 0.449 3014 I N -0.889 119.677 120.570 -0.007 0.000 2.439 3014 I HA -0.129 4.041 4.170 -0.001 0.000 0.251 3014 I C 2.389 178.502 176.117 -0.007 0.000 1.139 3014 I CA 0.593 61.889 61.300 -0.006 0.000 1.438 3014 I CB -0.272 37.720 38.000 -0.013 0.000 1.085 3014 I HN 0.121 nan 8.210 nan 0.000 0.427 3015 L N 1.233 122.449 121.223 -0.011 0.000 2.046 3015 L HA -0.081 4.259 4.340 -0.001 0.000 0.208 3015 L C 2.344 179.211 176.870 -0.004 0.000 1.077 3015 L CA 1.774 56.607 54.840 -0.012 0.000 0.747 3015 L CB -0.480 41.570 42.059 -0.015 0.000 0.896 3015 L HN 0.120 nan 8.230 nan 0.000 0.432 3016 V N -0.520 119.394 119.914 0.000 0.000 2.302 3016 V HA -0.209 3.911 4.120 -0.001 0.000 0.243 3016 V C 2.521 178.622 176.094 0.012 0.000 1.036 3016 V CA 1.888 64.192 62.300 0.006 0.000 1.020 3016 V CB -0.569 31.257 31.823 0.005 0.000 0.657 3016 V HN 0.402 nan 8.190 nan 0.000 0.453 3017 K N -0.257 120.150 120.400 0.011 0.000 2.103 3017 K HA -0.063 4.257 4.320 -0.001 0.000 0.204 3017 K C 2.045 178.660 176.600 0.025 0.000 1.052 3017 K CA 1.104 57.400 56.287 0.016 0.000 0.945 3017 K CB -0.223 32.284 32.500 0.012 0.000 0.722 3017 K HN 0.300 nan 8.250 nan 0.000 0.443 3018 V N 1.306 121.233 119.914 0.022 0.000 2.379 3018 V HA -0.180 3.939 4.120 -0.001 0.000 0.245 3018 V C 2.381 178.508 176.094 0.054 0.000 1.044 3018 V CA 1.431 63.751 62.300 0.034 0.000 1.036 3018 V CB -0.445 31.387 31.823 0.015 0.000 0.664 3018 V HN 0.296 nan 8.190 nan 0.000 0.453 3019 R N 0.546 121.066 120.500 0.034 0.000 2.083 3019 R HA -0.212 4.128 4.340 -0.001 0.000 0.237 3019 R C 2.265 178.612 176.300 0.077 0.000 1.137 3019 R CA 1.972 58.099 56.100 0.046 0.000 0.951 3019 R CB -0.472 29.841 30.300 0.021 0.000 0.851 3019 R HN 0.474 nan 8.270 nan 0.000 0.434 3020 A N 0.537 123.388 122.820 0.052 0.000 1.898 3020 A HA -0.053 4.266 4.320 -0.001 0.000 0.216 3020 A C 2.361 179.974 177.584 0.048 0.000 1.181 3020 A CA 1.575 53.639 52.037 0.044 0.000 0.620 3020 A CB -0.743 18.274 19.000 0.028 0.000 0.819 3020 A HN 0.562 nan 8.150 nan 0.000 0.442 3021 A N -0.940 121.912 122.820 0.053 0.000 1.902 3021 A HA -0.167 4.152 4.320 -0.001 0.000 0.217 3021 A C 2.025 179.642 177.584 0.055 0.000 1.181 3021 A CA 2.115 54.180 52.037 0.047 0.000 0.623 3021 A CB -0.851 18.178 19.000 0.048 0.000 0.818 3021 A HN 0.781 nan 8.150 nan 0.000 0.443 3022 H N -0.268 118.806 119.070 0.006 0.000 2.299 3022 H HA 0.091 4.647 4.556 -0.000 0.000 0.302 3022 H C 2.211 177.543 175.328 0.007 0.000 1.078 3022 H CA 1.985 58.037 56.048 0.006 0.000 1.323 3022 H CB -0.263 29.502 29.762 0.005 0.000 1.381 3022 H HN 0.371 nan 8.280 nan 0.000 0.498 3023 A N -0.592 122.281 122.820 0.088 0.000 1.940 3023 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 3023 A C 2.578 180.145 177.584 -0.028 0.000 1.176 3023 A CA 2.082 54.142 52.037 0.038 0.000 0.631 3023 A CB -1.063 17.983 19.000 0.077 0.000 0.814 3023 A HN 0.521 nan 8.150 nan 0.000 0.446 3024 S N -0.619 115.069 115.700 -0.021 0.000 2.371 3024 S HA -0.077 4.393 4.470 -0.001 0.000 0.219 3024 S C 1.834 176.407 174.600 -0.046 0.000 1.040 3024 S CA 1.037 59.223 58.200 -0.023 0.000 0.958 3024 S CB -0.379 62.817 63.200 -0.006 0.000 0.860 3024 S HN 0.602 nan 8.310 nan 0.000 0.487 3025 N N 1.054 119.722 118.700 -0.055 0.000 2.409 3025 N HA 0.241 4.981 4.740 -0.001 0.000 0.179 3025 N C 1.053 176.505 175.510 -0.098 0.000 1.032 3025 N CA 0.975 53.991 53.050 -0.058 0.000 0.898 3025 N CB 0.159 38.625 38.487 -0.034 0.000 0.971 3025 N HN 0.609 nan 8.380 nan 0.000 0.441 3026 G N 0.602 109.288 108.800 -0.189 0.000 2.342 3026 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.220 3026 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.220 3026 G C 0.150 174.799 174.900 -0.419 0.000 1.243 3026 G CA 0.140 45.088 45.100 -0.253 0.000 1.083 3026 G HN 0.271 nan 8.290 nan 0.000 0.500 3027 N N 0.141 118.702 118.700 -0.232 0.000 2.436 3027 N HA -0.008 4.732 4.740 -0.001 0.000 0.178 3027 N C 1.621 177.148 175.510 0.028 0.000 1.026 3027 N CA 1.427 54.435 53.050 -0.070 0.000 0.880 3027 N CB -0.139 38.364 38.487 0.027 0.000 1.061 3027 N HN 0.837 nan 8.380 nan 0.000 0.434 3028 K N -0.222 120.176 120.400 -0.003 0.000 2.387 3028 K HA 0.325 4.644 4.320 -0.001 0.000 0.198 3028 K C -0.152 176.451 176.600 0.005 0.000 1.022 3028 K CA -0.159 56.135 56.287 0.011 0.000 1.128 3028 K CB 0.039 32.542 32.500 0.005 0.000 0.853 3028 K HN 0.034 nan 8.250 nan 0.000 0.523 3029 C N 1.214 120.509 119.300 -0.008 0.000 2.955 3029 C HA 0.690 5.150 4.460 -0.001 0.000 0.229 3029 C C 0.383 175.375 174.990 0.003 0.000 1.842 3029 C CA -0.489 58.525 59.018 -0.008 0.000 1.539 3029 C CB -0.685 27.039 27.740 -0.027 0.000 2.869 3029 C HN 0.654 nan 8.230 nan 0.000 0.503 3030 A N 0.042 122.886 122.820 0.039 0.000 5.810 3030 A HA 0.946 5.266 4.320 -0.001 0.000 0.151 3030 A C 0.148 177.780 177.584 0.079 0.000 0.903 3030 A CA 0.404 52.483 52.037 0.070 0.000 1.207 3030 A CB -0.379 18.682 19.000 0.101 0.000 2.339 3030 A HN 1.963 nan 8.150 nan 0.000 1.102 3031 G N -1.855 107.007 108.800 0.103 0.000 2.787 3031 G HA2 0.367 4.326 3.960 -0.001 0.000 0.685 3031 G HA3 0.367 4.326 3.960 -0.001 0.000 0.685 3031 G C -0.755 174.173 174.900 0.047 0.000 1.437 3031 G CA -0.011 45.129 45.100 0.066 0.000 0.872 3031 G HN 2.036 nan 8.290 nan 0.000 0.566 3032 L N 0.696 121.937 121.223 0.030 0.000 2.289 3032 L HA 0.743 5.082 4.340 -0.001 0.000 0.285 3032 L C 0.200 177.092 176.870 0.037 0.000 1.049 3032 L CA -0.995 53.859 54.840 0.024 0.000 0.804 3032 L CB 1.537 43.599 42.059 0.003 0.000 1.195 3032 L HN 0.748 nan 8.230 nan 0.000 0.428 3033 N N 3.002 121.733 118.700 0.051 0.000 2.501 3033 N HA 0.222 4.961 4.740 -0.001 0.000 0.245 3033 N C 0.806 176.354 175.510 0.064 0.000 0.974 3033 N CA -0.272 52.834 53.050 0.094 0.000 0.941 3033 N CB 1.199 39.756 38.487 0.117 0.000 1.122 3033 N HN 0.510 nan 8.380 nan 0.000 0.507 3034 V N 1.621 121.536 119.914 0.002 0.000 2.913 3034 V HA -0.012 4.108 4.120 -0.001 0.000 0.260 3034 V C 1.403 177.405 176.094 -0.154 0.000 1.098 3034 V CA 1.233 63.464 62.300 -0.116 0.000 1.121 3034 V CB -1.200 30.487 31.823 -0.227 0.000 0.714 3034 V HN 0.473 nan 8.190 nan 0.000 0.487 3035 F N 2.525 122.473 119.950 -0.003 0.000 2.259 3035 F HA -0.042 4.485 4.527 -0.000 0.000 0.298 3035 F C 2.675 178.474 175.800 -0.001 0.000 1.088 3035 F CA 1.851 59.850 58.000 -0.002 0.000 1.358 3035 F CB -0.368 38.632 39.000 -0.001 0.000 1.040 3035 F HN 0.380 nan 8.300 nan 0.000 0.505 3036 T N -4.038 110.618 114.554 0.171 0.000 3.022 3036 T HA 0.361 4.711 4.350 -0.001 0.000 0.250 3036 T C 1.546 176.275 174.700 0.049 0.000 1.060 3036 T CA 0.422 62.577 62.100 0.093 0.000 1.013 3036 T CB 0.268 69.182 68.868 0.077 0.000 0.982 3036 T HN 0.355 nan 8.240 nan 0.000 0.508 3037 G N 1.085 109.905 108.800 0.033 0.000 2.225 3037 G HA2 0.230 4.190 3.960 -0.001 0.000 0.264 3037 G HA3 0.230 4.190 3.960 -0.001 0.000 0.264 3037 G C 0.099 175.006 174.900 0.010 0.000 1.060 3037 G CA -0.181 44.922 45.100 0.006 0.000 0.833 3037 G HN 1.435 nan 8.290 nan 0.000 0.498 3038 A N -1.840 120.992 122.820 0.021 0.000 2.608 3038 A HA 0.869 5.189 4.320 -0.001 0.000 0.292 3038 A C 0.032 177.632 177.584 0.027 0.000 1.066 3038 A CA 0.149 52.198 52.037 0.020 0.000 0.676 3038 A CB 1.350 20.363 19.000 0.022 0.000 1.277 3038 A HN 1.779 nan 8.150 nan 0.000 0.413 3039 V N 1.620 121.548 119.914 0.024 0.000 2.673 3039 V HA 0.394 4.514 4.120 -0.001 0.000 0.303 3039 V C 0.010 176.124 176.094 0.032 0.000 1.046 3039 V CA 0.965 63.282 62.300 0.029 0.000 1.126 3039 V CB 0.477 32.318 31.823 0.029 0.000 0.934 3039 V HN 0.917 nan 8.190 nan 0.000 0.487 3040 E N 3.808 124.030 120.200 0.038 0.000 2.359 3040 E HA 0.388 4.738 4.350 -0.001 0.000 0.223 3040 E C -1.405 175.216 176.600 0.034 0.000 0.877 3040 E CA -0.679 55.742 56.400 0.035 0.000 0.887 3040 E CB 0.726 30.451 29.700 0.041 0.000 1.890 3040 E HN 0.704 nan 8.360 nan 0.000 0.419 3041 D N 1.261 121.678 120.400 0.028 0.000 2.472 3041 D HA 0.180 4.820 4.640 -0.001 0.000 0.234 3041 D C 0.839 177.155 176.300 0.027 0.000 1.088 3041 D CA -0.279 53.736 54.000 0.025 0.000 0.882 3041 D CB 0.647 41.456 40.800 0.015 0.000 1.037 3041 D HN 0.188 nan 8.370 nan 0.000 0.520 3042 M N 1.661 121.283 119.600 0.036 0.000 2.159 3042 M HA -0.143 4.337 4.480 -0.001 0.000 0.263 3042 M C 2.321 178.636 176.300 0.025 0.000 1.063 3042 M CA 0.781 56.103 55.300 0.037 0.000 1.110 3042 M CB -1.142 31.485 32.600 0.045 0.000 1.374 3042 M HN 0.530 nan 8.290 nan 0.000 0.411 3043 C N 0.642 119.956 119.300 0.022 0.000 2.432 3043 C HA -0.170 4.290 4.460 -0.001 0.000 0.277 3043 C C 2.705 177.700 174.990 0.007 0.000 1.249 3043 C CA 1.409 60.435 59.018 0.014 0.000 1.725 3043 C CB -0.921 26.827 27.740 0.014 0.000 2.028 3043 C HN 0.636 nan 8.230 nan 0.000 0.477 3044 E N 0.029 120.233 120.200 0.007 0.000 2.110 3044 E HA -0.174 4.176 4.350 -0.001 0.000 0.193 3044 E C 1.377 177.975 176.600 -0.003 0.000 0.988 3044 E CA 1.166 57.567 56.400 0.001 0.000 0.804 3044 E CB -0.182 29.519 29.700 0.002 0.000 0.745 3044 E HN 0.654 nan 8.360 nan 0.000 0.458 3045 N N -0.372 118.328 118.700 -0.001 0.000 2.398 3045 N HA 0.004 4.744 4.740 -0.001 0.000 0.188 3045 N C 0.757 176.255 175.510 -0.019 0.000 1.122 3045 N CA 0.905 53.948 53.050 -0.012 0.000 0.866 3045 N CB 0.979 39.463 38.487 -0.005 0.000 0.970 3045 N HN 0.332 nan 8.380 nan 0.000 0.462 3046 G N 0.472 109.267 108.800 -0.009 0.000 2.153 3046 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.252 3046 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.252 3046 G C 0.048 174.947 174.900 -0.002 0.000 0.994 3046 G CA 0.097 45.192 45.100 -0.009 0.000 0.698 3046 G HN 0.205 nan 8.290 nan 0.000 0.521 3047 V N 1.487 121.407 119.914 0.010 0.000 2.222 3047 V HA 0.495 4.615 4.120 -0.001 0.000 0.253 3047 V C 0.767 176.878 176.094 0.029 0.000 1.210 3047 V CA 0.161 62.478 62.300 0.028 0.000 1.079 3047 V CB 0.412 32.266 31.823 0.052 0.000 1.265 3047 V HN 1.065 nan 8.190 nan 0.000 0.494 3048 V N 1.476 121.403 119.914 0.021 0.000 3.007 3048 V HA 0.894 5.013 4.120 -0.001 0.000 0.311 3048 V C -0.717 175.388 176.094 0.017 0.000 1.120 3048 V CA -0.759 61.553 62.300 0.019 0.000 0.980 3048 V CB 2.561 34.393 31.823 0.015 0.000 1.033 3048 V HN 0.636 nan 8.190 nan 0.000 0.429 3049 E N 1.911 122.120 120.200 0.016 0.000 2.369 3049 E HA 0.660 5.009 4.350 -0.001 0.000 0.270 3049 E C -3.241 173.365 176.600 0.010 0.000 0.909 3049 E CA -2.406 54.002 56.400 0.013 0.000 0.775 3049 E CB 2.154 31.861 29.700 0.012 0.000 1.270 3049 E HN 0.467 nan 8.360 nan 0.000 0.445 3050 P HA -0.007 nan 4.420 nan 0.000 0.268 3050 P C 0.865 178.169 177.300 0.006 0.000 1.205 3050 P CA -0.350 62.754 63.100 0.007 0.000 0.771 3050 P CB 0.478 32.182 31.700 0.006 0.000 0.858 3051 L N 4.530 125.757 121.223 0.006 0.000 2.042 3051 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 3051 L C 2.200 179.073 176.870 0.005 0.000 1.076 3051 L CA 1.894 56.738 54.840 0.006 0.000 0.749 3051 L CB -0.697 41.365 42.059 0.006 0.000 0.893 3051 L HN 0.272 nan 8.230 nan 0.000 0.432 3052 R N -1.198 119.304 120.500 0.004 0.000 2.117 3052 R HA -0.164 4.176 4.340 -0.001 0.000 0.243 3052 R C 2.117 178.419 176.300 0.003 0.000 1.143 3052 R CA 1.616 57.718 56.100 0.004 0.000 0.968 3052 R CB -0.725 29.577 30.300 0.003 0.000 0.863 3052 R HN 0.346 nan 8.270 nan 0.000 0.444 3053 V N 1.325 121.241 119.914 0.003 0.000 2.261 3053 V HA -0.240 3.879 4.120 -0.001 0.000 0.246 3053 V C 2.224 178.318 176.094 0.000 0.000 1.047 3053 V CA 1.686 63.987 62.300 0.002 0.000 1.015 3053 V CB -0.299 31.526 31.823 0.002 0.000 0.642 3053 V HN 0.217 nan 8.190 nan 0.000 0.446 3054 K N -0.344 120.056 120.400 0.000 0.000 2.167 3054 K HA -0.009 4.310 4.320 -0.001 0.000 0.203 3054 K C 2.174 178.774 176.600 0.001 0.000 1.052 3054 K CA 1.261 57.547 56.287 -0.003 0.000 0.956 3054 K CB -0.559 31.939 32.500 -0.003 0.000 0.735 3054 K HN 0.482 nan 8.250 nan 0.000 0.451 3055 T N 1.254 115.811 114.554 0.004 0.000 2.812 3055 T HA -0.128 4.222 4.350 -0.001 0.000 0.264 3055 T C 1.900 176.606 174.700 0.010 0.000 1.042 3055 T CA 1.211 63.315 62.100 0.007 0.000 1.140 3055 T CB -0.004 68.867 68.868 0.005 0.000 0.870 3055 T HN 0.129 nan 8.240 nan 0.000 0.445 3056 Q N 1.253 121.057 119.800 0.007 0.000 2.123 3056 Q HA 0.159 4.499 4.340 -0.001 0.000 0.199 3056 Q C 2.269 178.274 176.000 0.009 0.000 0.966 3056 Q CA 1.501 57.309 55.803 0.008 0.000 0.845 3056 Q CB -0.619 28.123 28.738 0.006 0.000 0.907 3056 Q HN 0.476 nan 8.270 nan 0.000 0.439 3057 A N 0.508 123.330 122.820 0.003 0.000 1.858 3057 A HA -0.160 4.160 4.320 -0.001 0.000 0.216 3057 A C 1.933 179.517 177.584 -0.000 0.000 1.190 3057 A CA 1.615 53.650 52.037 -0.003 0.000 0.617 3057 A CB -0.713 18.280 19.000 -0.011 0.000 0.827 3057 A HN 0.443 nan 8.150 nan 0.000 0.443 3058 I N -0.119 120.455 120.570 0.008 0.000 2.252 3058 I HA -0.223 3.947 4.170 -0.001 0.000 0.245 3058 I C 2.649 178.807 176.117 0.068 0.000 1.102 3058 I CA 1.771 63.089 61.300 0.030 0.000 1.385 3058 I CB -1.481 36.549 38.000 0.050 0.000 1.064 3058 I HN 0.595 nan 8.210 nan 0.000 0.414 3059 Q N 0.879 120.709 119.800 0.051 0.000 2.002 3059 Q HA -0.204 4.135 4.340 -0.001 0.000 0.204 3059 Q C 2.385 178.414 176.000 0.048 0.000 0.988 3059 Q CA 2.722 58.554 55.803 0.049 0.000 0.843 3059 Q CB 0.092 28.846 28.738 0.027 0.000 0.908 3059 Q HN 0.360 nan 8.270 nan 0.000 0.420 3060 S N 0.287 116.007 115.700 0.032 0.000 2.368 3060 S HA -0.102 4.368 4.470 -0.001 0.000 0.224 3060 S C 1.938 176.557 174.600 0.032 0.000 1.029 3060 S CA 0.884 59.101 58.200 0.028 0.000 0.988 3060 S CB -0.339 62.871 63.200 0.017 0.000 0.838 3060 S HN 0.571 nan 8.310 nan 0.000 0.462 3061 A N 1.670 124.505 122.820 0.025 0.000 1.877 3061 A HA 0.079 4.398 4.320 -0.001 0.000 0.216 3061 A C 2.359 179.967 177.584 0.041 0.000 1.186 3061 A CA 1.755 53.800 52.037 0.013 0.000 0.620 3061 A CB -1.126 17.863 19.000 -0.018 0.000 0.822 3061 A HN 0.516 nan 8.150 nan 0.000 0.443 3062 A N -0.588 122.286 122.820 0.089 0.000 1.930 3062 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 3062 A C 1.976 179.652 177.584 0.153 0.000 1.175 3062 A CA 2.109 54.256 52.037 0.183 0.000 0.627 3062 A CB -0.419 18.775 19.000 0.323 0.000 0.815 3062 A HN 0.543 nan 8.150 nan 0.000 0.443 3063 E N -0.153 120.107 120.200 0.101 0.000 2.072 3063 E HA -0.111 4.238 4.350 -0.001 0.000 0.190 3063 E C 2.220 178.862 176.600 0.070 0.000 0.982 3063 E CA 1.447 57.894 56.400 0.079 0.000 0.803 3063 E CB -0.340 29.392 29.700 0.053 0.000 0.755 3063 E HN 0.461 nan 8.360 nan 0.000 0.453 3064 S N -1.278 114.456 115.700 0.057 0.000 2.383 3064 S HA -0.112 4.358 4.470 -0.001 0.000 0.227 3064 S C 1.885 176.517 174.600 0.054 0.000 1.026 3064 S CA 1.656 59.883 58.200 0.044 0.000 0.981 3064 S CB -0.543 62.675 63.200 0.029 0.000 0.818 3064 S HN 0.407 nan 8.310 nan 0.000 0.472 3065 T N 1.733 116.330 114.554 0.071 0.000 2.652 3065 T HA -0.125 4.225 4.350 -0.001 0.000 0.267 3065 T C 1.761 176.541 174.700 0.133 0.000 1.039 3065 T CA 1.650 63.807 62.100 0.094 0.000 1.153 3065 T CB -0.481 68.451 68.868 0.107 0.000 0.863 3065 T HN 0.587 nan 8.240 nan 0.000 0.428 3066 E N 0.583 120.882 120.200 0.166 0.000 2.085 3066 E HA -0.172 4.178 4.350 -0.001 0.000 0.194 3066 E C 2.253 178.899 176.600 0.077 0.000 0.994 3066 E CA 1.068 57.553 56.400 0.142 0.000 0.801 3066 E CB -0.234 29.550 29.700 0.141 0.000 0.743 3066 E HN 0.459 nan 8.360 nan 0.000 0.453 3067 M N 0.241 119.879 119.600 0.064 0.000 2.082 3067 M HA -0.242 4.237 4.480 -0.001 0.000 0.258 3067 M C 1.951 178.271 176.300 0.035 0.000 1.069 3067 M CA 1.422 56.748 55.300 0.043 0.000 1.102 3067 M CB -0.050 32.572 32.600 0.037 0.000 1.336 3067 M HN 0.178 nan 8.290 nan 0.000 0.404 3068 L N 0.391 121.636 121.223 0.036 0.000 2.083 3068 L HA -0.154 4.185 4.340 -0.001 0.000 0.209 3068 L C 2.143 179.025 176.870 0.019 0.000 1.083 3068 L CA 1.657 56.511 54.840 0.022 0.000 0.752 3068 L CB -0.920 41.149 42.059 0.017 0.000 0.899 3068 L HN 0.402 nan 8.230 nan 0.000 0.433 3069 L N -1.584 119.659 121.223 0.034 0.000 2.395 3069 L HA -0.099 4.241 4.340 -0.001 0.000 0.218 3069 L C 2.489 179.364 176.870 0.008 0.000 1.130 3069 L CA 0.429 55.281 54.840 0.019 0.000 0.826 3069 L CB -0.361 41.714 42.059 0.028 0.000 0.941 3069 L HN 0.206 nan 8.230 nan 0.000 0.451 3070 R N 0.015 120.526 120.500 0.018 0.000 2.115 3070 R HA -0.026 4.314 4.340 -0.001 0.000 0.230 3070 R C 0.273 176.583 176.300 0.016 0.000 1.111 3070 R CA 0.617 56.728 56.100 0.017 0.000 0.976 3070 R CB -0.149 30.164 30.300 0.023 0.000 0.870 3070 R HN 0.140 nan 8.270 nan 0.000 0.445 3071 I N 2.167 122.746 120.570 0.015 0.000 2.496 3071 I HA -0.063 4.107 4.170 -0.001 0.000 0.285 3071 I C 0.656 176.782 176.117 0.015 0.000 1.080 3071 I CA 0.240 61.550 61.300 0.018 0.000 1.404 3071 I CB 1.157 39.169 38.000 0.019 0.000 1.403 3071 I HN 0.140 nan 8.210 nan 0.000 0.539 3072 D N 2.275 122.688 120.400 0.020 0.000 2.469 3072 D HA 0.175 4.815 4.640 -0.001 0.000 0.213 3072 D C -0.311 176.010 176.300 0.035 0.000 1.135 3072 D CA -0.007 54.005 54.000 0.019 0.000 0.834 3072 D CB 0.319 41.127 40.800 0.013 0.000 1.009 3072 D HN 0.358 nan 8.370 nan 0.000 0.507 3073 D N -0.283 120.143 120.400 0.044 0.000 2.812 3073 D HA 0.218 4.858 4.640 -0.001 0.000 0.210 3073 D C -1.672 174.667 176.300 0.064 0.000 1.260 3073 D CA -0.512 53.521 54.000 0.056 0.000 0.817 3073 D CB 2.194 43.017 40.800 0.040 0.000 1.694 3073 D HN -0.183 nan 8.370 nan 0.000 0.530 3074 V N 4.070 124.040 119.914 0.094 0.000 2.384 3074 V HA 0.544 4.664 4.120 -0.001 0.000 0.287 3074 V C 0.043 176.185 176.094 0.079 0.000 1.020 3074 V CA -0.588 61.772 62.300 0.100 0.000 0.850 3074 V CB 1.216 33.139 31.823 0.166 0.000 0.987 3074 V HN 0.415 nan 8.190 nan 0.000 0.436 3075 I N 4.510 125.114 120.570 0.056 0.000 2.355 3075 I HA 0.671 4.841 4.170 -0.001 0.000 0.288 3075 I C 0.431 176.571 176.117 0.038 0.000 0.999 3075 I CA -0.106 61.217 61.300 0.040 0.000 1.163 3075 I CB 1.747 39.764 38.000 0.028 0.000 1.316 3075 I HN 0.652 nan 8.210 nan 0.000 0.454 3076 A N 5.114 127.955 122.820 0.035 0.000 2.276 3076 A HA 0.884 5.204 4.320 -0.001 0.000 0.316 3076 A C 0.167 177.762 177.584 0.018 0.000 1.229 3076 A CA -0.568 51.486 52.037 0.029 0.000 0.851 3076 A CB 0.694 19.715 19.000 0.034 0.000 1.165 3076 A HN 0.780 nan 8.150 nan 0.000 0.513 3077 A N 1.971 124.800 122.820 0.015 0.000 2.371 3077 A HA 0.475 4.794 4.320 -0.001 0.000 0.257 3077 A C 0.593 178.181 177.584 0.008 0.000 1.089 3077 A CA -0.157 51.886 52.037 0.010 0.000 0.794 3077 A CB 0.086 19.092 19.000 0.010 0.000 1.029 3077 A HN 0.951 nan 8.150 nan 0.000 0.488 3078 E N 0.000 120.203 120.200 0.005 0.000 2.725 3078 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 3078 E CA 0.000 56.402 56.400 0.003 0.000 0.976 3078 E CB 0.000 29.701 29.700 0.002 0.000 0.812 3078 E HN 0.000 nan 8.360 nan 0.000 0.440