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 3izh_1_J DATA FIRST_RESID 4618 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 TNIKDLSAQD 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 4618 V HA 0.000 nan 4.120 nan 0.000 0.244 4618 V C 0.000 176.088 176.094 -0.010 0.000 1.182 4618 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 4618 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 4619 L N 2.512 123.728 121.223 -0.013 0.000 2.325 4619 L HA 0.553 4.893 4.340 -0.000 0.000 0.279 4619 L C -2.188 174.674 176.870 -0.014 0.000 1.054 4619 L CA -1.543 53.289 54.840 -0.013 0.000 0.804 4619 L CB 0.864 42.913 42.059 -0.017 0.000 1.200 4619 L HN 0.163 nan 8.230 nan 0.000 0.436 4620 P HA -0.008 nan 4.420 nan 0.000 0.264 4620 P C -0.445 176.846 177.300 -0.014 0.000 1.193 4620 P CA -0.144 62.950 63.100 -0.011 0.000 0.763 4620 P CB 0.402 32.097 31.700 -0.009 0.000 0.810 4621 E N 3.248 123.439 120.200 -0.014 0.000 2.452 4621 E HA -0.114 4.236 4.350 -0.000 0.000 0.261 4621 E C 0.844 177.435 176.600 -0.015 0.000 0.987 4621 E CA 0.389 56.779 56.400 -0.016 0.000 0.926 4621 E CB 0.010 29.702 29.700 -0.014 0.000 0.934 4621 E HN 0.618 nan 8.360 nan 0.000 0.452 4622 N N 2.456 121.145 118.700 -0.018 0.000 2.990 4622 N HA -0.146 4.594 4.740 -0.000 0.000 0.163 4622 N C -0.613 174.886 175.510 -0.018 0.000 1.452 4622 N CA 0.222 53.263 53.050 -0.016 0.000 1.624 4622 N CB -0.630 37.850 38.487 -0.011 0.000 1.088 4622 N HN 0.388 nan 8.380 nan 0.000 0.695 4623 M N 2.058 121.646 119.600 -0.020 0.000 2.228 4623 M HA 0.227 4.707 4.480 -0.000 0.000 0.351 4623 M C 0.301 176.578 176.300 -0.037 0.000 1.233 4623 M CA 0.555 55.842 55.300 -0.021 0.000 1.129 4623 M CB 0.841 33.429 32.600 -0.018 0.000 1.604 4623 M HN 0.162 nan 8.290 nan 0.000 0.457 4624 K N 2.266 122.646 120.400 -0.034 0.000 2.316 4624 K HA 0.621 4.941 4.320 -0.000 0.000 0.251 4624 K C -1.214 175.342 176.600 -0.073 0.000 0.934 4624 K CA -0.573 55.667 56.287 -0.077 0.000 0.802 4624 K CB 1.965 34.442 32.500 -0.038 0.000 1.171 4624 K HN 0.676 nan 8.250 nan 0.000 0.426 4625 R N 3.086 123.459 120.500 -0.212 0.000 2.621 4625 R HA 0.430 4.770 4.340 -0.000 0.000 0.284 4625 R C -1.521 174.570 176.300 -0.350 0.000 0.998 4625 R CA -0.599 55.420 56.100 -0.136 0.000 0.895 4625 R CB 0.894 31.152 30.300 -0.070 0.000 1.195 4625 R HN 0.626 nan 8.270 nan 0.000 0.450 4626 Y N 4.206 124.511 120.300 0.007 0.000 2.462 4626 Y HA 0.541 5.091 4.550 -0.000 0.000 0.346 4626 Y C 0.275 176.181 175.900 0.011 0.000 0.976 4626 Y CA -0.950 57.158 58.100 0.013 0.000 1.044 4626 Y CB 2.227 40.702 38.460 0.026 0.000 1.230 4626 Y HN 0.426 nan 8.280 nan 0.000 0.455 4627 M N 0.861 120.545 119.600 0.141 0.000 2.618 4627 M HA 0.858 5.338 4.480 -0.000 0.000 0.281 4627 M C 0.180 176.519 176.300 0.066 0.000 1.267 4627 M CA -0.144 55.204 55.300 0.080 0.000 0.845 4627 M CB 1.350 33.974 32.600 0.040 0.000 1.732 4627 M HN 0.877 nan 8.290 nan 0.000 0.461 4628 G N 2.284 111.110 108.800 0.043 0.000 2.574 4628 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.286 4628 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.286 4628 G C 0.508 175.426 174.900 0.030 0.000 1.212 4628 G CA 1.067 46.183 45.100 0.027 0.000 0.979 4628 G HN 1.179 nan 8.290 nan 0.000 0.557 4629 R N 0.438 120.952 120.500 0.024 0.000 2.189 4629 R HA -0.043 4.297 4.340 -0.000 0.000 0.223 4629 R C 2.067 178.387 176.300 0.034 0.000 1.092 4629 R CA 1.947 58.059 56.100 0.020 0.000 0.989 4629 R CB -0.373 29.934 30.300 0.012 0.000 0.876 4629 R HN 0.596 nan 8.270 nan 0.000 0.457 4630 D N 0.256 120.693 120.400 0.061 0.000 2.123 4630 D HA -0.105 4.535 4.640 -0.000 0.000 0.200 4630 D C 1.706 178.058 176.300 0.087 0.000 0.976 4630 D CA 1.402 55.461 54.000 0.099 0.000 0.831 4630 D CB -0.126 40.779 40.800 0.175 0.000 0.974 4630 D HN 0.360 nan 8.370 nan 0.000 0.469 4631 A N 0.958 123.839 122.820 0.101 0.000 1.933 4631 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 4631 A C 2.152 179.746 177.584 0.017 0.000 1.175 4631 A CA 1.323 53.404 52.037 0.075 0.000 0.628 4631 A CB -0.517 18.537 19.000 0.088 0.000 0.814 4631 A HN 0.195 nan 8.150 nan 0.000 0.444 4632 Q N -1.110 118.699 119.800 0.016 0.000 2.046 4632 Q HA -0.145 4.195 4.340 -0.000 0.000 0.200 4632 Q C 2.423 178.415 176.000 -0.014 0.000 0.975 4632 Q CA 1.439 57.242 55.803 0.001 0.000 0.836 4632 Q CB -0.197 28.542 28.738 0.002 0.000 0.896 4632 Q HN 0.690 nan 8.270 nan 0.000 0.428 4633 R N 0.689 121.182 120.500 -0.013 0.000 2.083 4633 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 4633 R C 2.292 178.558 176.300 -0.056 0.000 1.137 4633 R CA 1.678 57.763 56.100 -0.025 0.000 0.951 4633 R CB -0.214 30.079 30.300 -0.012 0.000 0.851 4633 R HN 0.293 nan 8.270 nan 0.000 0.434 4634 M N 0.472 120.023 119.600 -0.082 0.000 2.086 4634 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 4634 M C 1.867 178.088 176.300 -0.132 0.000 1.067 4634 M CA 2.336 57.548 55.300 -0.146 0.000 1.116 4634 M CB -0.330 32.121 32.600 -0.248 0.000 1.348 4634 M HN 0.160 nan 8.290 nan 0.000 0.407 4635 N N 0.536 119.187 118.700 -0.082 0.000 2.069 4635 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 4635 N C 1.466 176.944 175.510 -0.054 0.000 1.031 4635 N CA 2.062 55.079 53.050 -0.055 0.000 0.852 4635 N CB -0.355 38.120 38.487 -0.021 0.000 1.018 4635 N HN 0.494 nan 8.380 nan 0.000 0.423 4636 I N -0.410 120.133 120.570 -0.044 0.000 2.179 4636 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 4636 I C 1.705 177.792 176.117 -0.050 0.000 1.088 4636 I CA 0.585 61.865 61.300 -0.034 0.000 1.357 4636 I CB -0.200 37.786 38.000 -0.023 0.000 1.051 4636 I HN 0.194 nan 8.210 nan 0.000 0.409 4637 L N 0.691 121.873 121.223 -0.068 0.000 2.046 4637 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 4637 L C 2.679 179.490 176.870 -0.098 0.000 1.077 4637 L CA 2.125 56.919 54.840 -0.077 0.000 0.747 4637 L CB -1.268 40.738 42.059 -0.087 0.000 0.896 4637 L HN 0.201 nan 8.230 nan 0.000 0.432 4638 A N -0.624 122.114 122.820 -0.137 0.000 1.877 4638 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 4638 A C 2.428 179.957 177.584 -0.091 0.000 1.186 4638 A CA 1.742 53.685 52.037 -0.158 0.000 0.620 4638 A CB -1.385 17.478 19.000 -0.229 0.000 0.822 4638 A HN 0.438 nan 8.150 nan 0.000 0.443 4639 G N -0.396 108.365 108.800 -0.066 0.000 2.418 4639 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 4639 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 4639 G C 1.701 176.580 174.900 -0.036 0.000 1.158 4639 G CA 1.374 46.450 45.100 -0.040 0.000 0.771 4639 G HN 0.552 nan 8.290 nan 0.000 0.545 4640 R N 0.766 121.243 120.500 -0.039 0.000 2.083 4640 R HA 0.039 4.379 4.340 -0.000 0.000 0.237 4640 R C 2.468 178.748 176.300 -0.034 0.000 1.137 4640 R CA 1.363 57.443 56.100 -0.033 0.000 0.951 4640 R CB -0.790 29.491 30.300 -0.032 0.000 0.851 4640 R HN 0.433 nan 8.270 nan 0.000 0.434 4641 I N 0.210 120.754 120.570 -0.044 0.000 2.226 4641 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 4641 I C 1.835 177.932 176.117 -0.034 0.000 1.100 4641 I CA 0.828 62.103 61.300 -0.041 0.000 1.374 4641 I CB -0.283 37.686 38.000 -0.052 0.000 1.057 4641 I HN 0.160 nan 8.210 nan 0.000 0.413 4642 I N 1.098 121.647 120.570 -0.035 0.000 2.226 4642 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 4642 I C 2.848 178.953 176.117 -0.021 0.000 1.100 4642 I CA 1.710 62.994 61.300 -0.025 0.000 1.374 4642 I CB -1.478 36.508 38.000 -0.023 0.000 1.057 4642 I HN 0.189 nan 8.210 nan 0.000 0.413 4643 A N 0.317 123.124 122.820 -0.022 0.000 1.933 4643 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 4643 A C 2.151 179.723 177.584 -0.020 0.000 1.175 4643 A CA 1.312 53.336 52.037 -0.020 0.000 0.628 4643 A CB -0.407 18.580 19.000 -0.021 0.000 0.814 4643 A HN 0.373 nan 8.150 nan 0.000 0.444 4644 E N -0.467 119.721 120.200 -0.021 0.000 2.150 4644 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 4644 E C 1.999 178.589 176.600 -0.017 0.000 0.985 4644 E CA 1.522 57.910 56.400 -0.020 0.000 0.814 4644 E CB -0.590 29.098 29.700 -0.021 0.000 0.752 4644 E HN 0.591 nan 8.360 nan 0.000 0.466 4645 T N 0.933 115.477 114.554 -0.017 0.000 2.857 4645 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 4645 T C 2.099 176.792 174.700 -0.011 0.000 1.048 4645 T CA 1.486 63.578 62.100 -0.013 0.000 1.139 4645 T CB 0.007 68.867 68.868 -0.013 0.000 0.874 4645 T HN 0.201 nan 8.240 nan 0.000 0.455 4646 V N 0.132 120.038 119.914 -0.012 0.000 2.992 4646 V HA 0.272 4.392 4.120 -0.000 0.000 0.250 4646 V C 2.265 178.352 176.094 -0.012 0.000 1.090 4646 V CA 0.736 63.029 62.300 -0.011 0.000 1.101 4646 V CB -0.692 31.125 31.823 -0.010 0.000 0.743 4646 V HN 0.223 nan 8.190 nan 0.000 0.468 4647 R N 2.250 122.741 120.500 -0.015 0.000 2.211 4647 R HA -0.164 4.176 4.340 -0.000 0.000 0.240 4647 R C 2.174 178.465 176.300 -0.014 0.000 1.144 4647 R CA 1.872 57.962 56.100 -0.017 0.000 0.992 4647 R CB -0.449 29.839 30.300 -0.020 0.000 0.869 4647 R HN 0.794 nan 8.270 nan 0.000 0.462 4648 S N -1.662 114.031 115.700 -0.012 0.000 2.595 4648 S HA -0.034 4.436 4.470 -0.000 0.000 0.235 4648 S C 1.284 175.880 174.600 -0.006 0.000 0.974 4648 S CA 1.165 59.359 58.200 -0.009 0.000 0.942 4648 S CB 0.333 63.528 63.200 -0.007 0.000 0.766 4648 S HN 0.272 nan 8.310 nan 0.000 0.536 4649 T N 1.226 115.775 114.554 -0.007 0.000 3.015 4649 T HA 0.336 4.686 4.350 -0.000 0.000 0.250 4649 T C 0.276 174.973 174.700 -0.006 0.000 1.057 4649 T CA -0.422 61.676 62.100 -0.004 0.000 1.066 4649 T CB -0.151 68.715 68.868 -0.003 0.000 0.959 4649 T HN 0.291 nan 8.240 nan 0.000 0.488 4650 L N 2.498 123.715 121.223 -0.010 0.000 2.499 4650 L HA 0.463 4.803 4.340 -0.000 0.000 0.273 4650 L C 0.721 177.583 176.870 -0.014 0.000 1.195 4650 L CA 1.252 56.084 54.840 -0.014 0.000 0.882 4650 L CB -0.771 41.276 42.059 -0.019 0.000 1.133 4650 L HN 0.441 nan 8.230 nan 0.000 0.483 4651 G N 3.866 112.658 108.800 -0.014 0.000 2.663 4651 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 4651 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 4651 G C -1.999 172.897 174.900 -0.007 0.000 1.288 4651 G CA -0.451 44.640 45.100 -0.015 0.000 0.836 4651 G HN 0.502 nan 8.290 nan 0.000 0.584 4652 P HA -0.002 nan 4.420 nan 0.000 0.218 4652 P C 1.396 178.706 177.300 0.017 0.000 1.148 4652 P CA 1.269 64.372 63.100 0.005 0.000 0.822 4652 P CB 0.134 31.832 31.700 -0.004 0.000 0.784 4653 K N -0.503 119.903 120.400 0.010 0.000 2.446 4653 K HA 0.258 4.578 4.320 -0.000 0.000 0.203 4653 K C 0.966 177.573 176.600 0.011 0.000 1.027 4653 K CA -0.048 56.250 56.287 0.018 0.000 1.166 4653 K CB -0.149 32.361 32.500 0.016 0.000 0.869 4653 K HN 0.062 nan 8.250 nan 0.000 0.504 4654 G N 1.853 110.657 108.800 0.007 0.000 2.442 4654 G HA2 0.314 4.274 3.960 -0.000 0.000 0.249 4654 G HA3 0.314 4.274 3.960 -0.000 0.000 0.249 4654 G C 0.310 175.214 174.900 0.007 0.000 1.263 4654 G CA -0.422 44.680 45.100 0.003 0.000 0.846 4654 G HN 0.197 nan 8.290 nan 0.000 0.555 4655 M N 0.700 120.303 119.600 0.005 0.000 2.792 4655 M HA 0.731 5.211 4.480 -0.000 0.000 0.294 4655 M C -0.819 175.483 176.300 0.005 0.000 1.215 4655 M CA -1.040 54.264 55.300 0.007 0.000 0.883 4655 M CB 1.828 34.431 32.600 0.006 0.000 1.620 4655 M HN 0.459 nan 8.290 nan 0.000 0.511 4656 D N -0.681 119.723 120.400 0.005 0.000 2.340 4656 D HA 0.578 5.217 4.640 -0.000 0.000 0.243 4656 D C -1.437 174.865 176.300 0.002 0.000 0.988 4656 D CA -0.785 53.218 54.000 0.004 0.000 0.959 4656 D CB 1.405 42.208 40.800 0.005 0.000 1.226 4656 D HN 0.640 nan 8.370 nan 0.000 0.509 4657 K N -0.111 120.289 120.400 0.001 0.000 2.267 4657 K HA 0.483 4.803 4.320 -0.000 0.000 0.246 4657 K C -0.917 175.683 176.600 0.000 0.000 0.954 4657 K CA -1.040 55.247 56.287 0.000 0.000 0.824 4657 K CB 2.326 34.825 32.500 -0.001 0.000 1.167 4657 K HN 0.483 nan 8.250 nan 0.000 0.431 4658 M N 3.583 123.183 119.600 -0.000 0.000 2.078 4658 M HA 0.316 4.796 4.480 -0.000 0.000 0.320 4658 M C -1.858 174.442 176.300 -0.001 0.000 0.969 4658 M CA -0.966 54.334 55.300 -0.001 0.000 0.929 4658 M CB 0.651 33.250 32.600 -0.001 0.000 1.504 4658 M HN 0.382 nan 8.290 nan 0.000 0.419 4659 L N 5.939 127.162 121.223 -0.001 0.000 2.298 4659 L HA 0.533 4.873 4.340 -0.000 0.000 0.284 4659 L C -0.944 175.926 176.870 -0.001 0.000 1.013 4659 L CA -0.325 54.515 54.840 -0.000 0.000 0.824 4659 L CB 1.960 44.019 42.059 -0.000 0.000 1.221 4659 L HN 0.438 nan 8.230 nan 0.000 0.418 4660 V N 3.166 123.080 119.914 -0.000 0.000 2.326 4660 V HA 0.300 4.420 4.120 -0.000 0.000 0.281 4660 V C -0.269 175.826 176.094 0.000 0.000 1.015 4660 V CA -1.050 61.250 62.300 -0.000 0.000 0.823 4660 V CB 1.199 33.022 31.823 -0.001 0.000 1.009 4660 V HN 0.796 nan 8.190 nan 0.000 0.436 4661 D N 3.488 123.888 120.400 0.000 0.000 2.369 4661 D HA -0.060 4.580 4.640 -0.000 0.000 0.241 4661 D C 1.132 177.433 176.300 0.001 0.000 1.271 4661 D CA -0.196 53.804 54.000 0.001 0.000 0.942 4661 D CB 0.609 41.409 40.800 0.001 0.000 1.129 4661 D HN 0.589 nan 8.370 nan 0.000 0.476 4662 D N -0.398 120.003 120.400 0.001 0.000 2.351 4662 D HA -0.160 4.480 4.640 -0.000 0.000 0.216 4662 D C 1.612 177.913 176.300 0.001 0.000 0.968 4662 D CA 0.621 54.622 54.000 0.001 0.000 0.899 4662 D CB -0.137 40.664 40.800 0.002 0.000 0.907 4662 D HN 0.419 nan 8.370 nan 0.000 0.514 4663 L N -0.984 120.240 121.223 0.001 0.000 2.463 4663 L HA 0.295 4.635 4.340 -0.000 0.000 0.219 4663 L C 1.981 178.851 176.870 -0.000 0.000 1.088 4663 L CA 0.611 55.451 54.840 0.000 0.000 0.849 4663 L CB 0.229 42.289 42.059 0.000 0.000 1.012 4663 L HN 0.324 nan 8.230 nan 0.000 0.468 4664 G N -0.583 108.217 108.800 -0.000 0.000 2.278 4664 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.210 4664 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.210 4664 G C 0.123 175.022 174.900 -0.001 0.000 1.000 4664 G CA -0.067 45.033 45.100 -0.001 0.000 0.635 4664 G HN 0.289 nan 8.290 nan 0.000 0.495 4665 D N 1.024 121.423 120.400 -0.001 0.000 2.472 4665 D HA 0.383 5.023 4.640 -0.000 0.000 0.237 4665 D C 0.351 176.650 176.300 -0.002 0.000 1.141 4665 D CA 0.510 54.509 54.000 -0.001 0.000 0.875 4665 D CB 1.199 41.998 40.800 -0.001 0.000 1.192 4665 D HN 0.383 nan 8.370 nan 0.000 0.450 4666 V N 4.217 124.130 119.914 -0.002 0.000 2.540 4666 V HA 0.404 4.524 4.120 -0.000 0.000 0.302 4666 V C -0.175 175.918 176.094 -0.003 0.000 1.035 4666 V CA -0.936 61.362 62.300 -0.002 0.000 0.873 4666 V CB 1.812 33.633 31.823 -0.003 0.000 0.992 4666 V HN 0.402 nan 8.190 nan 0.000 0.428 4667 V N 6.287 126.200 119.914 -0.002 0.000 2.487 4667 V HA 0.680 4.800 4.120 -0.000 0.000 0.298 4667 V C -0.879 175.214 176.094 -0.002 0.000 1.028 4667 V CA -0.247 62.052 62.300 -0.002 0.000 0.860 4667 V CB 2.107 33.929 31.823 -0.001 0.000 0.991 4667 V HN 0.644 nan 8.190 nan 0.000 0.427 4668 V N 6.332 126.244 119.914 -0.002 0.000 2.376 4668 V HA 0.706 4.826 4.120 -0.000 0.000 0.287 4668 V C 0.056 176.150 176.094 -0.000 0.000 1.015 4668 V CA -0.011 62.288 62.300 -0.001 0.000 0.834 4668 V CB 1.364 33.186 31.823 -0.002 0.000 1.001 4668 V HN 1.026 nan 8.190 nan 0.000 0.428 4669 T N 2.547 117.102 114.554 0.001 0.000 2.787 4669 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 4669 T C 0.249 174.950 174.700 0.002 0.000 1.221 4669 T CA -0.175 61.925 62.100 0.001 0.000 1.006 4669 T CB 1.943 70.812 68.868 0.001 0.000 1.328 4669 T HN 0.654 nan 8.240 nan 0.000 0.509 4670 N N 0.538 119.240 118.700 0.002 0.000 2.273 4670 N HA 0.120 4.860 4.740 -0.000 0.000 0.192 4670 N C -0.105 175.406 175.510 0.000 0.000 1.132 4670 N CA -0.147 52.904 53.050 0.002 0.000 0.887 4670 N CB -0.165 38.324 38.487 0.003 0.000 1.048 4670 N HN 0.603 nan 8.380 nan 0.000 0.490 4671 D N 0.440 120.841 120.400 0.001 0.000 2.450 4671 D HA 0.243 4.883 4.640 -0.000 0.000 0.247 4671 D C 1.462 177.762 176.300 -0.001 0.000 1.162 4671 D CA 0.304 54.304 54.000 0.000 0.000 0.879 4671 D CB 1.058 41.859 40.800 0.001 0.000 1.163 4671 D HN 0.244 nan 8.370 nan 0.000 0.472 4672 G N 2.483 111.282 108.800 -0.001 0.000 2.421 4672 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 4672 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 4672 G C 1.555 176.454 174.900 -0.001 0.000 1.171 4672 G CA 0.726 45.825 45.100 -0.002 0.000 0.775 4672 G HN 0.491 nan 8.290 nan 0.000 0.543 4673 V N 0.967 120.882 119.914 0.000 0.000 2.287 4673 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 4673 V C 3.150 179.244 176.094 0.002 0.000 1.053 4673 V CA 2.416 64.717 62.300 0.001 0.000 1.027 4673 V CB -1.044 30.781 31.823 0.002 0.000 0.646 4673 V HN 0.384 nan 8.190 nan 0.000 0.447 4674 T N 0.237 114.792 114.554 0.001 0.000 2.708 4674 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 4674 T C 1.834 176.534 174.700 0.001 0.000 1.037 4674 T CA 1.882 63.983 62.100 0.001 0.000 1.146 4674 T CB -0.313 68.555 68.868 0.001 0.000 0.865 4674 T HN 0.338 nan 8.240 nan 0.000 0.435 4675 I N 0.463 121.033 120.570 0.000 0.000 2.163 4675 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 4675 I C 2.069 178.186 176.117 0.000 0.000 1.085 4675 I CA 1.082 62.382 61.300 -0.000 0.000 1.347 4675 I CB -0.281 37.718 38.000 -0.001 0.000 1.044 4675 I HN 0.168 nan 8.210 nan 0.000 0.408 4676 L N 0.021 121.244 121.223 0.001 0.000 2.179 4676 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 4676 L C 2.476 179.348 176.870 0.004 0.000 1.096 4676 L CA 1.412 56.253 54.840 0.002 0.000 0.779 4676 L CB -0.924 41.136 42.059 0.001 0.000 0.922 4676 L HN 0.146 nan 8.230 nan 0.000 0.443 4677 R N -0.002 120.500 120.500 0.003 0.000 2.075 4677 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 4677 R C 1.909 178.211 176.300 0.004 0.000 1.126 4677 R CA 1.263 57.365 56.100 0.004 0.000 0.963 4677 R CB 0.037 30.338 30.300 0.003 0.000 0.858 4677 R HN 0.325 nan 8.270 nan 0.000 0.435 4678 E N 0.581 120.782 120.200 0.003 0.000 2.072 4678 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 4678 E C 1.171 177.773 176.600 0.003 0.000 0.982 4678 E CA 0.291 56.693 56.400 0.003 0.000 0.803 4678 E CB -0.280 29.421 29.700 0.002 0.000 0.755 4678 E HN 0.301 nan 8.360 nan 0.000 0.453 4679 M N 0.860 120.462 119.600 0.003 0.000 2.252 4679 M HA -0.053 4.427 4.480 -0.000 0.000 0.321 4679 M C 0.144 176.447 176.300 0.007 0.000 1.070 4679 M CA 0.486 55.789 55.300 0.004 0.000 1.143 4679 M CB 0.579 33.181 32.600 0.004 0.000 1.498 4679 M HN -0.188 nan 8.290 nan 0.000 0.445 4680 S N 4.006 119.711 115.700 0.008 0.000 2.512 4680 S HA 0.423 4.893 4.470 -0.000 0.000 0.291 4680 S C -0.804 173.805 174.600 0.014 0.000 1.151 4680 S CA -0.852 57.353 58.200 0.010 0.000 1.120 4680 S CB 0.004 63.209 63.200 0.008 0.000 1.029 4680 S HN 0.531 nan 8.310 nan 0.000 0.485 4681 V N 4.974 124.898 119.914 0.017 0.000 2.732 4681 V HA 0.328 4.448 4.120 -0.000 0.000 0.297 4681 V C 1.013 177.126 176.094 0.032 0.000 1.060 4681 V CA -0.117 62.199 62.300 0.027 0.000 1.038 4681 V CB 1.488 33.330 31.823 0.030 0.000 1.003 4681 V HN 0.800 nan 8.190 nan 0.000 0.481 4682 E N 0.659 120.888 120.200 0.047 0.000 2.288 4682 E HA 0.073 4.423 4.350 -0.000 0.000 0.200 4682 E C 0.678 177.308 176.600 0.050 0.000 0.880 4682 E CA -0.038 56.386 56.400 0.041 0.000 0.971 4682 E CB 0.011 29.734 29.700 0.038 0.000 0.954 4682 E HN 0.693 nan 8.360 nan 0.000 0.489 4683 H N 2.803 121.870 119.070 -0.005 0.000 2.886 4683 H HA 0.018 4.574 4.556 0.000 0.000 0.329 4683 H C -1.721 173.601 175.328 -0.010 0.000 1.044 4683 H CA -1.190 54.852 56.048 -0.011 0.000 1.456 4683 H CB 1.502 31.249 29.762 -0.026 0.000 1.464 4683 H HN -0.172 nan 8.280 nan 0.000 0.573 4684 P HA -0.127 nan 4.420 nan 0.000 0.215 4684 P C 1.125 178.488 177.300 0.105 0.000 1.153 4684 P CA 1.985 65.075 63.100 -0.016 0.000 0.853 4684 P CB 0.098 31.745 31.700 -0.088 0.000 0.788 4685 A N -0.120 122.872 122.820 0.287 0.000 1.933 4685 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 4685 A C 2.298 179.949 177.584 0.111 0.000 1.175 4685 A CA 2.033 54.191 52.037 0.201 0.000 0.628 4685 A CB -1.538 17.577 19.000 0.191 0.000 0.814 4685 A HN 0.201 nan 8.150 nan 0.000 0.444 4686 A N -0.188 122.715 122.820 0.139 0.000 1.929 4686 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 4686 A C 2.068 179.679 177.584 0.046 0.000 1.176 4686 A CA 1.586 53.652 52.037 0.048 0.000 0.628 4686 A CB -0.372 18.651 19.000 0.038 0.000 0.816 4686 A HN 0.521 nan 8.150 nan 0.000 0.444 4687 K N -1.003 119.433 120.400 0.061 0.000 2.147 4687 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 4687 K C 2.031 178.649 176.600 0.030 0.000 1.049 4687 K CA 1.573 57.883 56.287 0.038 0.000 0.936 4687 K CB -0.236 32.284 32.500 0.033 0.000 0.722 4687 K HN 0.600 nan 8.250 nan 0.000 0.446 4688 M N 0.707 120.328 119.600 0.036 0.000 2.254 4688 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 4688 M C 1.914 178.226 176.300 0.020 0.000 1.066 4688 M CA 0.988 56.304 55.300 0.027 0.000 1.123 4688 M CB 0.119 32.738 32.600 0.031 0.000 1.388 4688 M HN 0.112 nan 8.290 nan 0.000 0.425 4689 L N 0.781 122.015 121.223 0.018 0.000 2.156 4689 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 4689 L C 1.921 178.797 176.870 0.009 0.000 1.095 4689 L CA 1.371 56.217 54.840 0.010 0.000 0.770 4689 L CB -0.603 41.458 42.059 0.002 0.000 0.914 4689 L HN 0.275 nan 8.230 nan 0.000 0.439 4690 I N -0.075 120.502 120.570 0.011 0.000 2.315 4690 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 4690 I C 2.358 178.481 176.117 0.009 0.000 1.125 4690 I CA 1.109 62.415 61.300 0.010 0.000 1.392 4690 I CB -1.287 36.720 38.000 0.011 0.000 1.065 4690 I HN 0.387 nan 8.210 nan 0.000 0.424 4691 E N 0.651 120.858 120.200 0.011 0.000 2.150 4691 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 4691 E C 2.486 179.092 176.600 0.010 0.000 0.985 4691 E CA 0.795 57.201 56.400 0.011 0.000 0.814 4691 E CB -0.227 29.480 29.700 0.012 0.000 0.752 4691 E HN 0.343 nan 8.360 nan 0.000 0.466 4692 V N 1.754 121.675 119.914 0.010 0.000 2.287 4692 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 4692 V C 2.506 178.605 176.094 0.008 0.000 1.053 4692 V CA 1.949 64.255 62.300 0.010 0.000 1.027 4692 V CB -0.940 30.889 31.823 0.010 0.000 0.646 4692 V HN 0.251 nan 8.190 nan 0.000 0.447 4693 A N -0.354 122.470 122.820 0.006 0.000 1.902 4693 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 4693 A C 2.304 179.891 177.584 0.005 0.000 1.181 4693 A CA 2.030 54.070 52.037 0.005 0.000 0.623 4693 A CB -0.443 18.559 19.000 0.003 0.000 0.818 4693 A HN 0.557 nan 8.150 nan 0.000 0.443 4694 K N -1.019 119.385 120.400 0.006 0.000 2.097 4694 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 4694 K C 2.025 178.629 176.600 0.007 0.000 1.050 4694 K CA 1.673 57.964 56.287 0.006 0.000 0.938 4694 K CB -0.335 32.169 32.500 0.006 0.000 0.718 4694 K HN 0.462 nan 8.250 nan 0.000 0.442 4695 T N 0.975 115.533 114.554 0.008 0.000 2.904 4695 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 4695 T C 1.802 176.507 174.700 0.008 0.000 1.059 4695 T CA 1.130 63.235 62.100 0.009 0.000 1.137 4695 T CB -0.080 68.794 68.868 0.010 0.000 0.879 4695 T HN 0.153 nan 8.240 nan 0.000 0.467 4696 Q N 1.182 120.987 119.800 0.008 0.000 2.084 4696 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 4696 Q C 2.291 178.294 176.000 0.006 0.000 0.978 4696 Q CA 1.426 57.233 55.803 0.007 0.000 0.844 4696 Q CB -0.227 28.515 28.738 0.006 0.000 0.898 4696 Q HN 0.362 nan 8.270 nan 0.000 0.426 4697 E N 0.179 120.383 120.200 0.005 0.000 2.047 4697 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 4697 E C 1.715 178.318 176.600 0.005 0.000 0.987 4697 E CA 1.135 57.537 56.400 0.004 0.000 0.799 4697 E CB 0.079 29.781 29.700 0.004 0.000 0.752 4697 E HN 0.368 nan 8.360 nan 0.000 0.449 4698 K N 0.208 120.612 120.400 0.005 0.000 2.057 4698 K HA -0.121 4.199 4.320 -0.000 0.000 0.206 4698 K C 2.110 178.714 176.600 0.006 0.000 1.050 4698 K CA 1.087 57.377 56.287 0.005 0.000 0.935 4698 K CB 0.052 32.556 32.500 0.006 0.000 0.715 4698 K HN 0.028 nan 8.250 nan 0.000 0.439 4699 E N 0.090 120.294 120.200 0.007 0.000 2.051 4699 E HA -0.075 4.275 4.350 -0.000 0.000 0.189 4699 E C 2.042 178.646 176.600 0.007 0.000 0.979 4699 E CA 1.149 57.554 56.400 0.007 0.000 0.803 4699 E CB 0.203 29.909 29.700 0.009 0.000 0.761 4699 E HN 0.073 nan 8.360 nan 0.000 0.451 4700 V N -1.507 118.411 119.914 0.007 0.000 3.484 4700 V HA 0.290 4.410 4.120 -0.000 0.000 0.252 4700 V C 1.475 177.572 176.094 0.005 0.000 1.282 4700 V CA 0.734 63.038 62.300 0.006 0.000 1.104 4700 V CB 0.717 32.544 31.823 0.007 0.000 0.868 4700 V HN 0.411 nan 8.190 nan 0.000 0.457 4701 G N 0.718 109.521 108.800 0.004 0.000 5.064 4701 G HA2 -0.267 3.692 3.960 -0.000 0.000 0.277 4701 G HA3 -0.267 3.692 3.960 -0.000 0.000 0.277 4701 G C 0.042 174.944 174.900 0.003 0.000 1.580 4701 G CA 0.339 45.441 45.100 0.003 0.000 1.109 4701 G HN 0.464 nan 8.290 nan 0.000 0.695 4702 D N 1.631 122.033 120.400 0.002 0.000 2.383 4702 D HA 0.509 5.149 4.640 -0.000 0.000 0.248 4702 D C 1.418 177.718 176.300 0.000 0.000 1.170 4702 D CA 1.458 55.459 54.000 0.001 0.000 0.977 4702 D CB 0.590 41.391 40.800 0.001 0.000 1.120 4702 D HN 1.826 nan 8.370 nan 0.000 0.481 4703 G N 0.083 108.882 108.800 -0.002 0.000 2.141 4703 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.231 4703 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.231 4703 G C 1.075 175.972 174.900 -0.004 0.000 0.984 4703 G CA 1.268 46.365 45.100 -0.004 0.000 0.660 4703 G HN 0.653 nan 8.290 nan 0.000 0.525 4704 T N -2.354 112.198 114.554 -0.002 0.000 2.674 4704 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 4704 T C 2.232 176.929 174.700 -0.005 0.000 1.039 4704 T CA 2.663 64.762 62.100 -0.002 0.000 1.150 4704 T CB -0.738 68.129 68.868 -0.001 0.000 0.864 4704 T HN 0.334 nan 8.240 nan 0.000 0.427 4705 T N 1.763 116.313 114.554 -0.007 0.000 2.777 4705 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 4705 T C 2.312 177.003 174.700 -0.014 0.000 1.040 4705 T CA 1.733 63.827 62.100 -0.010 0.000 1.141 4705 T CB -0.961 67.901 68.868 -0.010 0.000 0.868 4705 T HN 0.526 nan 8.240 nan 0.000 0.444 4706 T N 2.292 116.837 114.554 -0.015 0.000 2.652 4706 T HA -0.093 4.257 4.350 -0.000 0.000 0.267 4706 T C 2.417 177.104 174.700 -0.022 0.000 1.039 4706 T CA 1.327 63.414 62.100 -0.022 0.000 1.153 4706 T CB -0.631 68.224 68.868 -0.021 0.000 0.863 4706 T HN 0.435 nan 8.240 nan 0.000 0.428 4707 A N 0.773 123.584 122.820 -0.014 0.000 1.933 4707 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 4707 A C 2.605 180.184 177.584 -0.008 0.000 1.175 4707 A CA 1.316 53.348 52.037 -0.009 0.000 0.628 4707 A CB -0.955 18.045 19.000 -0.000 0.000 0.814 4707 A HN 0.360 nan 8.150 nan 0.000 0.444 4708 V N -0.567 119.342 119.914 -0.009 0.000 2.307 4708 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 4708 V C 2.578 178.663 176.094 -0.015 0.000 1.045 4708 V CA 1.927 64.222 62.300 -0.009 0.000 1.024 4708 V CB -0.632 31.186 31.823 -0.009 0.000 0.651 4708 V HN 0.369 nan 8.190 nan 0.000 0.449 4709 V N -0.691 119.211 119.914 -0.020 0.000 2.307 4709 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 4709 V C 2.423 178.496 176.094 -0.034 0.000 1.045 4709 V CA 1.998 64.282 62.300 -0.026 0.000 1.024 4709 V CB -0.272 31.533 31.823 -0.029 0.000 0.651 4709 V HN 0.412 nan 8.190 nan 0.000 0.449 4710 V N 0.112 120.002 119.914 -0.041 0.000 2.358 4710 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 4710 V C 2.595 178.662 176.094 -0.044 0.000 1.047 4710 V CA 2.098 64.362 62.300 -0.060 0.000 1.035 4710 V CB -0.371 31.409 31.823 -0.072 0.000 0.658 4710 V HN 0.520 nan 8.190 nan 0.000 0.452 4711 A N -0.190 122.618 122.820 -0.020 0.000 1.933 4711 A HA -0.042 4.278 4.320 -0.000 0.000 0.218 4711 A C 2.306 179.896 177.584 0.009 0.000 1.175 4711 A CA 1.883 53.923 52.037 0.004 0.000 0.628 4711 A CB -1.220 17.787 19.000 0.011 0.000 0.814 4711 A HN 0.617 nan 8.150 nan 0.000 0.444 4712 G N -0.647 108.150 108.800 -0.005 0.000 2.414 4712 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.215 4712 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.215 4712 G C 1.429 176.327 174.900 -0.003 0.000 1.188 4712 G CA 0.853 45.950 45.100 -0.005 0.000 0.783 4712 G HN 0.451 nan 8.290 nan 0.000 0.537 4713 E N 0.393 120.584 120.200 -0.015 0.000 2.106 4713 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 4713 E C 2.693 179.293 176.600 0.000 0.000 0.984 4713 E CA 0.384 56.773 56.400 -0.018 0.000 0.806 4713 E CB -0.249 29.426 29.700 -0.043 0.000 0.750 4713 E HN 0.415 nan 8.360 nan 0.000 0.458 4714 L N 0.132 121.356 121.223 0.001 0.000 2.056 4714 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 4714 L C 2.394 179.354 176.870 0.150 0.000 1.078 4714 L CA 0.527 55.402 54.840 0.057 0.000 0.749 4714 L CB -0.283 41.792 42.059 0.027 0.000 0.901 4714 L HN 0.132 nan 8.230 nan 0.000 0.433 4715 L N -0.371 120.906 121.223 0.090 0.000 2.093 4715 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 4715 L C 2.674 179.575 176.870 0.052 0.000 1.085 4715 L CA 1.537 56.421 54.840 0.073 0.000 0.755 4715 L CB -0.779 41.306 42.059 0.043 0.000 0.904 4715 L HN 0.163 nan 8.230 nan 0.000 0.435 4716 R N -0.359 120.164 120.500 0.037 0.000 2.066 4716 R HA -0.218 4.122 4.340 -0.000 0.000 0.232 4716 R C 2.281 178.602 176.300 0.035 0.000 1.131 4716 R CA 1.570 57.684 56.100 0.023 0.000 0.955 4716 R CB -0.059 30.246 30.300 0.009 0.000 0.851 4716 R HN 0.056 nan 8.270 nan 0.000 0.432 4717 K N 0.365 120.799 120.400 0.055 0.000 2.148 4717 K HA -0.010 4.310 4.320 -0.000 0.000 0.204 4717 K C 1.668 178.324 176.600 0.094 0.000 1.050 4717 K CA 1.505 57.836 56.287 0.075 0.000 0.942 4717 K CB -0.204 32.351 32.500 0.092 0.000 0.724 4717 K HN 0.298 nan 8.250 nan 0.000 0.446 4718 A N 0.704 123.589 122.820 0.108 0.000 1.930 4718 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 4718 A C 2.113 179.704 177.584 0.012 0.000 1.175 4718 A CA 1.518 53.585 52.037 0.051 0.000 0.627 4718 A CB -0.525 18.503 19.000 0.048 0.000 0.815 4718 A HN 0.419 nan 8.150 nan 0.000 0.443 4719 E N 0.140 120.351 120.200 0.019 0.000 2.204 4719 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 4719 E C 1.848 178.451 176.600 0.004 0.000 0.989 4719 E CA 1.216 57.619 56.400 0.005 0.000 0.824 4719 E CB -0.157 29.546 29.700 0.005 0.000 0.756 4719 E HN 0.789 nan 8.360 nan 0.000 0.477 4720 E N 0.132 120.340 120.200 0.014 0.000 2.204 4720 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 4720 E C 2.229 178.835 176.600 0.010 0.000 0.990 4720 E CA 0.603 57.011 56.400 0.013 0.000 0.821 4720 E CB 0.038 29.750 29.700 0.021 0.000 0.750 4720 E HN 0.279 nan 8.360 nan 0.000 0.477 4721 L N 0.250 121.478 121.223 0.008 0.000 2.131 4721 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 4721 L C 2.459 179.323 176.870 -0.010 0.000 1.087 4721 L CA 0.470 55.310 54.840 0.000 0.000 0.767 4721 L CB -0.292 41.761 42.059 -0.010 0.000 0.917 4721 L HN 0.209 nan 8.230 nan 0.000 0.441 4722 L N -0.094 121.118 121.223 -0.017 0.000 2.046 4722 L HA -0.249 4.091 4.340 -0.000 0.000 0.208 4722 L C 2.173 179.030 176.870 -0.022 0.000 1.077 4722 L CA 1.459 56.282 54.840 -0.028 0.000 0.747 4722 L CB -0.512 41.528 42.059 -0.031 0.000 0.896 4722 L HN 0.284 nan 8.230 nan 0.000 0.432 4723 D N -0.803 119.590 120.400 -0.012 0.000 2.219 4723 D HA -0.183 4.457 4.640 -0.000 0.000 0.205 4723 D C 2.129 178.426 176.300 -0.005 0.000 0.970 4723 D CA 0.795 54.791 54.000 -0.008 0.000 0.851 4723 D CB 0.192 40.990 40.800 -0.003 0.000 0.943 4723 D HN 0.142 nan 8.370 nan 0.000 0.488 4724 Q N 0.166 119.964 119.800 -0.003 0.000 2.482 4724 Q HA 0.037 4.377 4.340 -0.000 0.000 0.209 4724 Q C 0.008 176.008 176.000 -0.001 0.000 0.961 4724 Q CA 0.297 56.100 55.803 0.000 0.000 0.945 4724 Q CB -0.033 28.708 28.738 0.005 0.000 1.012 4724 Q HN 0.366 nan 8.270 nan 0.000 0.515 4725 N N -0.389 118.306 118.700 -0.008 0.000 2.814 4725 N HA -0.124 4.616 4.740 -0.000 0.000 0.247 4725 N C -1.191 174.319 175.510 -0.000 0.000 1.089 4725 N CA 0.381 53.424 53.050 -0.011 0.000 0.682 4725 N CB -1.697 36.786 38.487 -0.006 0.000 0.970 4725 N HN -0.026 nan 8.380 nan 0.000 0.554 4726 V N 1.724 121.637 119.914 -0.001 0.000 2.328 4726 V HA 0.122 4.242 4.120 -0.000 0.000 0.278 4726 V C 0.915 177.026 176.094 0.029 0.000 1.021 4726 V CA -0.767 61.544 62.300 0.018 0.000 0.838 4726 V CB 1.321 33.148 31.823 0.008 0.000 0.999 4726 V HN 0.331 nan 8.190 nan 0.000 0.447 4727 H N 9.457 128.512 119.070 -0.025 0.000 3.167 4727 H HA 0.001 4.557 4.556 0.000 0.000 0.306 4727 H C -1.410 173.894 175.328 -0.041 0.000 0.965 4727 H CA -1.102 54.930 56.048 -0.027 0.000 1.408 4727 H CB 1.482 31.231 29.762 -0.022 0.000 1.406 4727 H HN 0.374 nan 8.280 nan 0.000 0.576 4728 P HA -0.157 nan 4.420 nan 0.000 0.219 4728 P C 1.512 178.901 177.300 0.150 0.000 1.146 4728 P CA 1.334 64.485 63.100 0.085 0.000 0.808 4728 P CB 0.097 31.802 31.700 0.008 0.000 0.779 4729 T N -0.794 113.967 114.554 0.344 0.000 2.881 4729 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 4729 T C 1.774 176.457 174.700 -0.028 0.000 1.068 4729 T CA 0.839 62.965 62.100 0.042 0.000 1.131 4729 T CB -0.647 68.091 68.868 -0.217 0.000 0.871 4729 T HN -0.006 nan 8.240 nan 0.000 0.479 4730 I N 0.171 120.739 120.570 -0.003 0.000 2.233 4730 I HA -0.091 4.079 4.170 -0.000 0.000 0.243 4730 I C 2.453 178.525 176.117 -0.076 0.000 1.093 4730 I CA 0.719 61.998 61.300 -0.034 0.000 1.380 4730 I CB -0.353 37.643 38.000 -0.007 0.000 1.067 4730 I HN 0.087 nan 8.210 nan 0.000 0.413 4731 V N 0.391 120.240 119.914 -0.109 0.000 2.287 4731 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 4731 V C 2.410 178.259 176.094 -0.410 0.000 1.053 4731 V CA 1.878 64.007 62.300 -0.286 0.000 1.027 4731 V CB -0.529 31.122 31.823 -0.285 0.000 0.646 4731 V HN 0.359 nan 8.190 nan 0.000 0.447 4732 V N -0.305 119.486 119.914 -0.206 0.000 2.427 4732 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 4732 V C 2.579 178.654 176.094 -0.033 0.000 1.051 4732 V CA 2.296 64.537 62.300 -0.098 0.000 1.048 4732 V CB -0.404 31.406 31.823 -0.022 0.000 0.666 4732 V HN 0.507 nan 8.190 nan 0.000 0.456 4733 K N 0.144 120.516 120.400 -0.047 0.000 2.025 4733 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 4733 K C 2.116 178.706 176.600 -0.017 0.000 1.049 4733 K CA 1.690 57.961 56.287 -0.028 0.000 0.933 4733 K CB -0.944 31.533 32.500 -0.038 0.000 0.714 4733 K HN 0.555 nan 8.250 nan 0.000 0.438 4734 G N 0.274 109.060 108.800 -0.025 0.000 2.440 4734 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 4734 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 4734 G C 1.403 176.364 174.900 0.102 0.000 1.154 4734 G CA 0.698 45.813 45.100 0.025 0.000 0.767 4734 G HN 0.253 nan 8.290 nan 0.000 0.552 4735 Y N 0.888 121.160 120.300 -0.046 0.000 2.200 4735 Y HA -0.051 4.498 4.550 -0.000 0.000 0.290 4735 Y C 3.113 178.864 175.900 -0.247 0.000 1.137 4735 Y CA 0.727 58.779 58.100 -0.080 0.000 1.163 4735 Y CB -0.779 37.782 38.460 0.168 0.000 0.988 4735 Y HN 0.199 nan 8.280 nan 0.000 0.518 4736 Q N -0.304 119.531 119.800 0.058 0.000 2.030 4736 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 4736 Q C 2.597 178.532 176.000 -0.108 0.000 0.986 4736 Q CA 1.639 57.433 55.803 -0.014 0.000 0.843 4736 Q CB -0.717 28.025 28.738 0.006 0.000 0.904 4736 Q HN 0.451 nan 8.270 nan 0.000 0.420 4737 A N 1.037 123.796 122.820 -0.100 0.000 1.883 4737 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 4737 A C 2.323 179.801 177.584 -0.176 0.000 1.186 4737 A CA 2.163 54.136 52.037 -0.108 0.000 0.624 4737 A CB -0.752 18.207 19.000 -0.068 0.000 0.822 4737 A HN 0.400 nan 8.150 nan 0.000 0.444 4738 A N -0.340 122.293 122.820 -0.312 0.000 1.930 4738 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 4738 A C 2.491 179.709 177.584 -0.610 0.000 1.175 4738 A CA 1.976 53.731 52.037 -0.471 0.000 0.627 4738 A CB -0.955 17.624 19.000 -0.701 0.000 0.815 4738 A HN 1.038 nan 8.150 nan 0.000 0.443 4739 A N -1.084 121.274 122.820 -0.771 0.000 1.877 4739 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 4739 A C 2.212 179.735 177.584 -0.100 0.000 1.186 4739 A CA 1.792 53.636 52.037 -0.322 0.000 0.620 4739 A CB -0.534 18.387 19.000 -0.132 0.000 0.822 4739 A HN 0.506 nan 8.150 nan 0.000 0.443 4740 Q N -0.127 119.610 119.800 -0.104 0.000 2.124 4740 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 4740 Q C 2.005 177.984 176.000 -0.035 0.000 0.977 4740 Q CA 2.108 57.881 55.803 -0.049 0.000 0.850 4740 Q CB -0.172 28.537 28.738 -0.049 0.000 0.901 4740 Q HN 0.539 nan 8.270 nan 0.000 0.429 4741 K N 0.379 120.749 120.400 -0.050 0.000 2.211 4741 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 4741 K C 1.749 178.375 176.600 0.043 0.000 1.050 4741 K CA 1.231 57.515 56.287 -0.005 0.000 0.945 4741 K CB -0.492 32.015 32.500 0.012 0.000 0.732 4741 K HN 0.192 nan 8.250 nan 0.000 0.451 4742 A N 0.583 123.424 122.820 0.034 0.000 1.933 4742 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 4742 A C 2.075 179.696 177.584 0.063 0.000 1.175 4742 A CA 1.627 53.712 52.037 0.082 0.000 0.628 4742 A CB -0.492 18.594 19.000 0.143 0.000 0.814 4742 A HN 0.510 nan 8.150 nan 0.000 0.444 4743 Q N -0.631 119.194 119.800 0.042 0.000 2.119 4743 Q HA -0.183 4.157 4.340 -0.000 0.000 0.201 4743 Q C 1.986 178.003 176.000 0.028 0.000 0.972 4743 Q CA 1.553 57.376 55.803 0.032 0.000 0.847 4743 Q CB -0.151 28.600 28.738 0.022 0.000 0.903 4743 Q HN 0.777 nan 8.270 nan 0.000 0.433 4744 E N 0.585 120.801 120.200 0.026 0.000 2.051 4744 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 4744 E C 2.048 178.672 176.600 0.040 0.000 0.991 4744 E CA 0.865 57.280 56.400 0.025 0.000 0.799 4744 E CB -0.076 29.633 29.700 0.015 0.000 0.748 4744 E HN 0.297 nan 8.360 nan 0.000 0.449 4745 L N 0.459 121.718 121.223 0.060 0.000 2.083 4745 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 4745 L C 2.370 179.269 176.870 0.050 0.000 1.083 4745 L CA 0.438 55.320 54.840 0.071 0.000 0.752 4745 L CB -0.282 41.832 42.059 0.091 0.000 0.899 4745 L HN 0.169 nan 8.230 nan 0.000 0.433 4746 L N -0.092 121.156 121.223 0.042 0.000 2.046 4746 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 4746 L C 2.492 179.377 176.870 0.026 0.000 1.077 4746 L CA 1.750 56.609 54.840 0.031 0.000 0.747 4746 L CB -0.668 41.407 42.059 0.028 0.000 0.896 4746 L HN 0.145 nan 8.230 nan 0.000 0.432 4747 K N -1.579 118.836 120.400 0.025 0.000 2.148 4747 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 4747 K C 1.890 178.503 176.600 0.022 0.000 1.050 4747 K CA 1.567 57.866 56.287 0.020 0.000 0.942 4747 K CB -0.195 32.315 32.500 0.017 0.000 0.724 4747 K HN 0.334 nan 8.250 nan 0.000 0.446 4748 T N 1.770 116.341 114.554 0.028 0.000 2.851 4748 T HA -0.036 4.314 4.350 -0.000 0.000 0.262 4748 T C 1.898 176.617 174.700 0.031 0.000 1.043 4748 T CA 1.107 63.226 62.100 0.031 0.000 1.140 4748 T CB -0.092 68.801 68.868 0.041 0.000 0.872 4748 T HN 0.361 nan 8.240 nan 0.000 0.446 4749 I N -0.096 120.495 120.570 0.034 0.000 3.226 4749 I HA 0.416 4.586 4.170 -0.000 0.000 0.277 4749 I C 1.147 177.281 176.117 0.028 0.000 1.243 4749 I CA -0.459 60.862 61.300 0.035 0.000 1.459 4749 I CB -0.526 37.499 38.000 0.042 0.000 1.093 4749 I HN -0.050 nan 8.210 nan 0.000 0.453 4750 A N 1.515 124.349 122.820 0.023 0.000 2.567 4750 A HA 0.074 4.394 4.320 -0.000 0.000 0.240 4750 A C 0.203 177.797 177.584 0.016 0.000 1.053 4750 A CA -0.008 52.039 52.037 0.018 0.000 0.755 4750 A CB -0.249 18.760 19.000 0.015 0.000 0.978 4750 A HN 0.640 nan 8.150 nan 0.000 0.507 4751 C N 4.086 123.395 119.300 0.015 0.000 2.281 4751 C HA 0.499 4.959 4.460 -0.000 0.000 0.336 4751 C C 0.283 175.279 174.990 0.010 0.000 1.217 4751 C CA -0.738 58.288 59.018 0.013 0.000 1.730 4751 C CB -1.484 26.264 27.740 0.013 0.000 2.338 4751 C HN 0.886 nan 8.230 nan 0.000 0.521 4752 E N 3.297 123.502 120.200 0.009 0.000 2.360 4752 E HA 0.451 4.801 4.350 -0.000 0.000 0.269 4752 E C 0.112 176.716 176.600 0.007 0.000 1.022 4752 E CA 0.112 56.517 56.400 0.008 0.000 0.887 4752 E CB 0.913 30.617 29.700 0.007 0.000 0.990 4752 E HN 0.677 nan 8.360 nan 0.000 0.426 4753 V N -0.930 118.987 119.914 0.006 0.000 3.130 4753 V HA 0.802 4.922 4.120 -0.000 0.000 0.310 4753 V C 0.381 176.478 176.094 0.005 0.000 1.158 4753 V CA -1.243 61.060 62.300 0.006 0.000 1.029 4753 V CB 1.803 33.630 31.823 0.006 0.000 1.057 4753 V HN 0.653 nan 8.190 nan 0.000 0.436 4754 G N 0.521 109.324 108.800 0.005 0.000 2.335 4754 G HA2 0.476 4.436 3.960 -0.000 0.000 0.268 4754 G HA3 0.476 4.436 3.960 -0.000 0.000 0.268 4754 G C 1.012 175.915 174.900 0.005 0.000 1.228 4754 G CA 0.234 45.337 45.100 0.004 0.000 0.968 4754 G HN 1.662 nan 8.290 nan 0.000 0.459 4755 A N 2.758 125.581 122.820 0.004 0.000 1.917 4755 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 4755 A C 1.949 179.536 177.584 0.005 0.000 1.182 4755 A CA 1.515 53.554 52.037 0.004 0.000 0.633 4755 A CB -0.124 18.879 19.000 0.004 0.000 0.819 4755 A HN 0.658 nan 8.150 nan 0.000 0.448 4756 Q N -0.309 119.493 119.800 0.005 0.000 2.201 4756 Q HA 0.088 4.428 4.340 -0.000 0.000 0.236 4756 Q C -0.712 175.291 176.000 0.006 0.000 0.857 4756 Q CA -0.407 55.399 55.803 0.005 0.000 1.025 4756 Q CB 0.362 29.102 28.738 0.005 0.000 1.124 4756 Q HN 0.559 nan 8.270 nan 0.000 0.473 4757 D N 1.340 121.743 120.400 0.006 0.000 2.382 4757 D HA -0.049 4.591 4.640 -0.000 0.000 0.259 4757 D C 0.906 177.210 176.300 0.007 0.000 1.224 4757 D CA 0.276 54.280 54.000 0.006 0.000 0.894 4757 D CB 1.170 41.973 40.800 0.006 0.000 1.127 4757 D HN -0.073 nan 8.370 nan 0.000 0.487 4758 K N 3.979 124.383 120.400 0.008 0.000 2.000 4758 K HA -0.272 4.048 4.320 -0.000 0.000 0.218 4758 K C 1.622 178.227 176.600 0.009 0.000 1.053 4758 K CA 2.120 58.412 56.287 0.008 0.000 0.946 4758 K CB -0.315 32.190 32.500 0.008 0.000 0.723 4758 K HN 0.422 nan 8.250 nan 0.000 0.446 4759 E N 0.304 120.509 120.200 0.008 0.000 2.049 4759 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 4759 E C 1.980 178.585 176.600 0.009 0.000 1.007 4759 E CA 2.103 58.508 56.400 0.008 0.000 0.809 4759 E CB -0.378 29.326 29.700 0.007 0.000 0.749 4759 E HN 0.470 nan 8.360 nan 0.000 0.450 4760 I N -0.048 120.527 120.570 0.008 0.000 2.361 4760 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 4760 I C 1.869 177.992 176.117 0.010 0.000 1.133 4760 I CA 0.313 61.618 61.300 0.009 0.000 1.413 4760 I CB -0.165 37.839 38.000 0.008 0.000 1.073 4760 I HN 0.189 nan 8.210 nan 0.000 0.424 4761 L N 0.234 121.462 121.223 0.009 0.000 2.046 4761 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 4761 L C 2.577 179.454 176.870 0.011 0.000 1.077 4761 L CA 1.968 56.814 54.840 0.010 0.000 0.747 4761 L CB -1.269 40.796 42.059 0.010 0.000 0.896 4761 L HN 0.184 nan 8.230 nan 0.000 0.432 4762 T N -1.353 113.207 114.554 0.011 0.000 2.833 4762 T HA -0.192 4.158 4.350 -0.000 0.000 0.269 4762 T C 1.992 176.700 174.700 0.014 0.000 1.054 4762 T CA 1.119 63.226 62.100 0.012 0.000 1.135 4762 T CB -0.025 68.849 68.868 0.011 0.000 0.869 4762 T HN 0.061 nan 8.240 nan 0.000 0.466 4763 K N 0.901 121.309 120.400 0.014 0.000 2.057 4763 K HA 0.173 4.493 4.320 -0.000 0.000 0.206 4763 K C 1.997 178.607 176.600 0.018 0.000 1.050 4763 K CA 0.787 57.083 56.287 0.016 0.000 0.935 4763 K CB -0.463 32.046 32.500 0.014 0.000 0.715 4763 K HN 0.339 nan 8.250 nan 0.000 0.439 4764 I N 0.190 120.769 120.570 0.015 0.000 2.142 4764 I HA -0.325 3.845 4.170 -0.000 0.000 0.240 4764 I C 2.224 178.352 176.117 0.019 0.000 1.078 4764 I CA 1.347 62.657 61.300 0.016 0.000 1.343 4764 I CB -0.439 37.568 38.000 0.013 0.000 1.046 4764 I HN 0.145 nan 8.210 nan 0.000 0.405 4765 A N 0.573 123.403 122.820 0.017 0.000 1.841 4765 A HA -0.301 4.019 4.320 -0.000 0.000 0.216 4765 A C 2.431 180.027 177.584 0.020 0.000 1.199 4765 A CA 2.194 54.242 52.037 0.017 0.000 0.621 4765 A CB -0.849 18.160 19.000 0.014 0.000 0.835 4765 A HN 0.433 nan 8.150 nan 0.000 0.445 4766 M N -0.651 118.961 119.600 0.020 0.000 2.149 4766 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 4766 M C 2.057 178.376 176.300 0.031 0.000 1.064 4766 M CA 2.144 57.457 55.300 0.021 0.000 1.102 4766 M CB -0.353 32.259 32.600 0.019 0.000 1.369 4766 M HN 0.496 nan 8.290 nan 0.000 0.408 4767 T N 0.032 114.608 114.554 0.037 0.000 2.788 4767 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 4767 T C 1.820 176.562 174.700 0.069 0.000 1.044 4767 T CA 1.747 63.879 62.100 0.054 0.000 1.139 4767 T CB -0.189 68.705 68.868 0.043 0.000 0.867 4767 T HN 0.446 nan 8.240 nan 0.000 0.454 4768 S N 1.150 116.880 115.700 0.050 0.000 2.345 4768 S HA 0.022 4.492 4.470 -0.000 0.000 0.220 4768 S C 2.061 176.689 174.600 0.047 0.000 1.031 4768 S CA 0.921 59.152 58.200 0.051 0.000 0.996 4768 S CB -0.398 62.823 63.200 0.034 0.000 0.882 4768 S HN 0.421 nan 8.310 nan 0.000 0.445 4769 I N 1.797 122.385 120.570 0.030 0.000 2.286 4769 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 4769 I C 1.142 177.262 176.117 0.005 0.000 1.115 4769 I CA 0.652 61.961 61.300 0.014 0.000 1.392 4769 I CB -1.021 36.984 38.000 0.009 0.000 1.065 4769 I HN 0.330 nan 8.210 nan 0.000 0.418 4770 T N 0.098 114.663 114.554 0.019 0.000 2.934 4770 T HA 0.304 4.654 4.350 -0.000 0.000 0.306 4770 T C 1.091 175.766 174.700 -0.042 0.000 1.042 4770 T CA 0.139 62.239 62.100 0.001 0.000 1.145 4770 T CB 1.104 69.995 68.868 0.037 0.000 0.982 4770 T HN 0.646 nan 8.240 nan 0.000 0.544 4771 G N 1.947 110.667 108.800 -0.134 0.000 2.157 4771 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.239 4771 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.239 4771 G C -0.066 174.720 174.900 -0.190 0.000 0.982 4771 G CA 0.207 45.133 45.100 -0.288 0.000 0.650 4771 G HN 0.905 nan 8.290 nan 0.000 0.527 4772 K N -0.952 119.383 120.400 -0.108 0.000 2.352 4772 K HA 0.610 4.930 4.320 -0.000 0.000 0.240 4772 K C 1.610 178.165 176.600 -0.074 0.000 1.017 4772 K CA -0.556 55.682 56.287 -0.081 0.000 0.851 4772 K CB 1.269 33.739 32.500 -0.049 0.000 1.261 4772 K HN 0.174 nan 8.250 nan 0.000 0.451 4773 G N 0.511 109.266 108.800 -0.074 0.000 2.442 4773 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 4773 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 4773 G C 1.206 176.077 174.900 -0.049 0.000 1.141 4773 G CA 1.261 46.321 45.100 -0.066 0.000 0.763 4773 G HN 0.613 nan 8.290 nan 0.000 0.554 4774 A N 0.276 123.070 122.820 -0.043 0.000 2.209 4774 A HA 0.122 4.442 4.320 -0.000 0.000 0.212 4774 A C 2.018 179.588 177.584 -0.024 0.000 1.158 4774 A CA 1.456 53.476 52.037 -0.028 0.000 0.742 4774 A CB -0.247 18.740 19.000 -0.021 0.000 0.790 4774 A HN 0.368 nan 8.150 nan 0.000 0.472 4775 E N 0.965 121.146 120.200 -0.031 0.000 2.267 4775 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 4775 E C 1.150 177.738 176.600 -0.020 0.000 0.998 4775 E CA 0.913 57.297 56.400 -0.026 0.000 0.830 4775 E CB -0.115 29.561 29.700 -0.040 0.000 0.751 4775 E HN 0.443 nan 8.360 nan 0.000 0.491 4776 K N -0.164 120.223 120.400 -0.022 0.000 2.160 4776 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 4776 K C 1.258 177.851 176.600 -0.010 0.000 1.047 4776 K CA 1.251 57.528 56.287 -0.016 0.000 0.930 4776 K CB -0.109 32.380 32.500 -0.017 0.000 0.720 4776 K HN 0.113 nan 8.250 nan 0.000 0.450 4777 A N 1.450 124.265 122.820 -0.009 0.000 2.855 4777 A HA 0.106 4.426 4.320 -0.000 0.000 0.301 4777 A C 1.312 178.895 177.584 -0.002 0.000 1.076 4777 A CA -0.447 51.588 52.037 -0.004 0.000 1.004 4777 A CB 0.002 19.001 19.000 -0.002 0.000 1.152 4777 A HN 0.272 nan 8.150 nan 0.000 0.531 4778 K N -0.172 120.227 120.400 -0.002 0.000 2.147 4778 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 4778 K C 0.930 177.533 176.600 0.005 0.000 1.049 4778 K CA 1.814 58.102 56.287 0.002 0.000 0.936 4778 K CB -0.074 32.427 32.500 0.002 0.000 0.722 4778 K HN 0.313 nan 8.250 nan 0.000 0.446 4779 E N 1.624 121.827 120.200 0.004 0.000 2.028 4779 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 4779 E C 1.985 178.589 176.600 0.006 0.000 0.988 4779 E CA 1.379 57.783 56.400 0.006 0.000 0.799 4779 E CB -0.052 29.651 29.700 0.005 0.000 0.755 4779 E HN 0.372 nan 8.360 nan 0.000 0.447 4780 K N 0.217 120.620 120.400 0.005 0.000 2.026 4780 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 4780 K C 1.808 178.413 176.600 0.008 0.000 1.048 4780 K CA 0.898 57.189 56.287 0.007 0.000 0.929 4780 K CB -0.049 32.454 32.500 0.006 0.000 0.713 4780 K HN -0.003 nan 8.250 nan 0.000 0.439 4781 L N 1.059 122.287 121.223 0.008 0.000 2.046 4781 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 4781 L C 2.469 179.345 176.870 0.010 0.000 1.077 4781 L CA 1.982 56.827 54.840 0.009 0.000 0.747 4781 L CB -1.055 41.008 42.059 0.007 0.000 0.896 4781 L HN 0.254 nan 8.230 nan 0.000 0.432 4782 A N -0.997 121.829 122.820 0.010 0.000 1.933 4782 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 4782 A C 2.304 179.895 177.584 0.011 0.000 1.175 4782 A CA 1.714 53.758 52.037 0.011 0.000 0.628 4782 A CB -0.455 18.552 19.000 0.012 0.000 0.814 4782 A HN 0.406 nan 8.150 nan 0.000 0.444 4783 E N 0.736 120.943 120.200 0.011 0.000 2.028 4783 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 4783 E C 1.866 178.474 176.600 0.013 0.000 0.988 4783 E CA 1.725 58.132 56.400 0.011 0.000 0.799 4783 E CB -0.500 29.206 29.700 0.010 0.000 0.755 4783 E HN 0.724 nan 8.360 nan 0.000 0.447 4784 I N -1.461 119.117 120.570 0.013 0.000 2.286 4784 I HA -0.178 3.992 4.170 -0.000 0.000 0.248 4784 I C 2.219 178.345 176.117 0.015 0.000 1.115 4784 I CA 1.265 62.574 61.300 0.015 0.000 1.392 4784 I CB -0.455 37.555 38.000 0.016 0.000 1.065 4784 I HN 0.038 nan 8.210 nan 0.000 0.418 4785 I N 0.968 121.546 120.570 0.013 0.000 2.202 4785 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 4785 I C 2.660 178.784 176.117 0.012 0.000 1.091 4785 I CA 1.027 62.334 61.300 0.013 0.000 1.368 4785 I CB -0.278 37.729 38.000 0.012 0.000 1.058 4785 I HN 0.085 nan 8.210 nan 0.000 0.410 4786 V N 0.830 120.751 119.914 0.012 0.000 2.343 4786 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 4786 V C 2.522 178.624 176.094 0.013 0.000 1.051 4786 V CA 2.152 64.460 62.300 0.012 0.000 1.036 4786 V CB -0.582 31.248 31.823 0.012 0.000 0.654 4786 V HN 0.437 nan 8.190 nan 0.000 0.451 4787 E N 0.883 121.092 120.200 0.015 0.000 2.072 4787 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 4787 E C 2.114 178.725 176.600 0.018 0.000 0.985 4787 E CA 1.675 58.085 56.400 0.017 0.000 0.801 4787 E CB -0.505 29.205 29.700 0.018 0.000 0.750 4787 E HN 0.484 nan 8.360 nan 0.000 0.452 4788 A N 0.228 123.058 122.820 0.016 0.000 1.883 4788 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 4788 A C 2.529 180.121 177.584 0.014 0.000 1.186 4788 A CA 1.943 53.989 52.037 0.015 0.000 0.624 4788 A CB -0.963 18.045 19.000 0.013 0.000 0.822 4788 A HN 0.206 nan 8.150 nan 0.000 0.444 4789 V N -0.474 119.447 119.914 0.012 0.000 2.295 4789 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 4789 V C 2.792 178.892 176.094 0.011 0.000 1.049 4789 V CA 2.324 64.630 62.300 0.010 0.000 1.024 4789 V CB -0.926 30.902 31.823 0.009 0.000 0.648 4789 V HN 0.664 nan 8.190 nan 0.000 0.447 4790 S N -0.216 115.491 115.700 0.012 0.000 2.383 4790 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 4790 S C 2.074 176.683 174.600 0.015 0.000 1.030 4790 S CA 1.704 59.911 58.200 0.012 0.000 1.002 4790 S CB -0.313 62.895 63.200 0.014 0.000 0.829 4790 S HN 0.622 nan 8.310 nan 0.000 0.467 4791 A N 0.835 123.667 122.820 0.020 0.000 1.898 4791 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 4791 A C 2.371 179.967 177.584 0.021 0.000 1.181 4791 A CA 1.735 53.788 52.037 0.027 0.000 0.620 4791 A CB -0.939 18.082 19.000 0.034 0.000 0.819 4791 A HN 0.944 nan 8.150 nan 0.000 0.442 4792 V N -3.166 116.757 119.914 0.015 0.000 2.951 4792 V HA -0.001 4.119 4.120 -0.000 0.000 0.255 4792 V C 2.059 178.157 176.094 0.006 0.000 1.088 4792 V CA 1.437 63.743 62.300 0.010 0.000 1.109 4792 V CB -0.542 31.286 31.823 0.007 0.000 0.724 4792 V HN 0.179 nan 8.190 nan 0.000 0.471 4793 V N 0.584 120.501 119.914 0.006 0.000 2.626 4793 V HA -0.124 3.996 4.120 -0.000 0.000 0.252 4793 V C 1.699 177.793 176.094 0.000 0.000 1.067 4793 V CA 2.445 64.747 62.300 0.003 0.000 1.081 4793 V CB -0.516 31.309 31.823 0.004 0.000 0.686 4793 V HN 0.850 nan 8.190 nan 0.000 0.468 4794 D N -0.731 119.669 120.400 -0.000 0.000 4.508 4794 D HA -0.222 4.418 4.640 -0.000 0.000 0.178 4794 D C 0.637 176.933 176.300 -0.007 0.000 0.644 4794 D CA 1.991 55.988 54.000 -0.006 0.000 1.244 4794 D CB -1.206 39.589 40.800 -0.007 0.000 0.727 4794 D HN 0.577 nan 8.370 nan 0.000 0.495 4795 D N 1.328 121.724 120.400 -0.007 0.000 2.377 4795 D HA 0.251 4.891 4.640 -0.000 0.000 0.245 4795 D C -0.213 176.085 176.300 -0.003 0.000 1.196 4795 D CA 0.101 54.097 54.000 -0.006 0.000 0.962 4795 D CB 0.620 41.416 40.800 -0.007 0.000 1.127 4795 D HN 0.290 nan 8.370 nan 0.000 0.471 4796 E N 0.335 120.533 120.200 -0.003 0.000 2.136 4796 E HA 0.512 4.862 4.350 -0.000 0.000 0.246 4796 E C -0.924 175.675 176.600 -0.001 0.000 1.017 4796 E CA -0.590 55.809 56.400 -0.001 0.000 0.883 4796 E CB -0.415 29.285 29.700 -0.001 0.000 1.199 4796 E HN 0.494 nan 8.360 nan 0.000 0.447 4797 G N 2.369 111.169 108.800 -0.000 0.000 2.405 4797 G HA2 0.232 4.192 3.960 -0.000 0.000 0.303 4797 G HA3 0.232 4.192 3.960 -0.000 0.000 0.303 4797 G C -1.923 172.977 174.900 0.000 0.000 1.644 4797 G CA -0.937 44.163 45.100 -0.000 0.000 0.899 4797 G HN 0.210 nan 8.290 nan 0.000 0.667 4798 K N 0.365 120.765 120.400 -0.000 0.000 2.427 4798 K HA 0.779 5.098 4.320 -0.000 0.000 0.252 4798 K C -1.292 175.308 176.600 0.001 0.000 0.931 4798 K CA -0.776 55.511 56.287 0.000 0.000 0.793 4798 K CB 2.346 34.846 32.500 -0.000 0.000 1.211 4798 K HN 1.021 nan 8.250 nan 0.000 0.426 4799 V N 2.886 122.800 119.914 0.001 0.000 2.555 4799 V HA 0.562 4.682 4.120 -0.000 0.000 0.302 4799 V C -1.581 174.514 176.094 0.001 0.000 1.038 4799 V CA -0.526 61.775 62.300 0.001 0.000 0.887 4799 V CB 1.843 33.667 31.823 0.003 0.000 0.991 4799 V HN 0.894 nan 8.190 nan 0.000 0.434 4800 D N 4.701 125.101 120.400 0.000 0.000 2.461 4800 D HA 0.248 4.888 4.640 -0.000 0.000 0.240 4800 D C 0.771 177.070 176.300 -0.001 0.000 1.094 4800 D CA -0.299 53.700 54.000 -0.001 0.000 0.868 4800 D CB 1.627 42.426 40.800 -0.003 0.000 1.062 4800 D HN 0.658 nan 8.370 nan 0.000 0.530 4801 K N 2.598 122.998 120.400 -0.001 0.000 2.520 4801 K HA -0.188 4.132 4.320 -0.000 0.000 0.197 4801 K C 0.822 177.420 176.600 -0.003 0.000 1.043 4801 K CA 0.875 57.162 56.287 -0.001 0.000 0.944 4801 K CB 0.235 32.735 32.500 0.001 0.000 0.770 4801 K HN 0.281 nan 8.250 nan 0.000 0.480 4802 D N 0.229 120.626 120.400 -0.005 0.000 2.264 4802 D HA -0.096 4.544 4.640 -0.000 0.000 0.208 4802 D C 1.320 177.613 176.300 -0.011 0.000 0.966 4802 D CA 0.731 54.726 54.000 -0.009 0.000 0.864 4802 D CB 0.177 40.971 40.800 -0.009 0.000 0.933 4802 D HN 0.258 nan 8.370 nan 0.000 0.499 4803 L N -0.105 121.113 121.223 -0.008 0.000 2.591 4803 L HA 0.194 4.534 4.340 -0.000 0.000 0.228 4803 L C 0.269 177.135 176.870 -0.007 0.000 1.133 4803 L CA 0.123 54.958 54.840 -0.009 0.000 0.880 4803 L CB 0.143 42.199 42.059 -0.004 0.000 1.033 4803 L HN 0.011 nan 8.230 nan 0.000 0.450 4804 I N 0.700 121.266 120.570 -0.006 0.000 2.405 4804 I HA 0.182 4.352 4.170 -0.000 0.000 0.280 4804 I C 0.125 176.237 176.117 -0.008 0.000 1.027 4804 I CA -0.325 60.972 61.300 -0.004 0.000 1.161 4804 I CB 1.262 39.262 38.000 0.001 0.000 1.300 4804 I HN -0.007 nan 8.210 nan 0.000 0.463 4805 K N 6.355 126.747 120.400 -0.013 0.000 2.185 4805 K HA 0.470 4.790 4.320 -0.000 0.000 0.271 4805 K C -0.738 175.854 176.600 -0.013 0.000 1.013 4805 K CA -0.471 55.805 56.287 -0.018 0.000 0.943 4805 K CB 1.061 33.542 32.500 -0.031 0.000 0.998 4805 K HN 0.437 nan 8.250 nan 0.000 0.468 4806 I N 3.930 124.493 120.570 -0.012 0.000 2.390 4806 I HA 0.166 4.336 4.170 -0.000 0.000 0.283 4806 I C -0.555 175.556 176.117 -0.010 0.000 1.016 4806 I CA -0.624 60.672 61.300 -0.006 0.000 1.151 4806 I CB 0.976 38.976 38.000 -0.000 0.000 1.293 4806 I HN 0.686 nan 8.210 nan 0.000 0.458 4807 E N 7.560 127.752 120.200 -0.013 0.000 2.151 4807 E HA 0.501 4.851 4.350 -0.000 0.000 0.275 4807 E C -0.889 175.711 176.600 0.000 0.000 0.936 4807 E CA -0.625 55.766 56.400 -0.016 0.000 0.777 4807 E CB 1.144 30.820 29.700 -0.040 0.000 1.108 4807 E HN 0.539 nan 8.360 nan 0.000 0.401 4808 K N 2.782 123.185 120.400 0.004 0.000 2.471 4808 K HA 0.616 4.936 4.320 -0.000 0.000 0.252 4808 K C -1.120 175.491 176.600 0.017 0.000 0.938 4808 K CA -1.164 55.131 56.287 0.015 0.000 0.796 4808 K CB 1.632 34.142 32.500 0.016 0.000 1.161 4808 K HN 0.179 nan 8.250 nan 0.000 0.425 4809 K N 1.876 122.291 120.400 0.025 0.000 2.578 4809 K HA 0.187 4.507 4.320 -0.000 0.000 0.250 4809 K C -1.018 175.600 176.600 0.030 0.000 0.955 4809 K CA -0.376 55.928 56.287 0.028 0.000 0.825 4809 K CB 2.071 34.593 32.500 0.035 0.000 1.151 4809 K HN 0.701 nan 8.250 nan 0.000 0.432 4810 S N 2.629 118.345 115.700 0.027 0.000 2.563 4810 S HA 0.563 5.033 4.470 -0.000 0.000 0.284 4810 S C 0.110 174.725 174.600 0.025 0.000 1.331 4810 S CA 1.270 59.485 58.200 0.025 0.000 1.047 4810 S CB -0.146 63.069 63.200 0.026 0.000 0.859 4810 S HN 1.087 nan 8.310 nan 0.000 0.514 4811 G N 1.503 110.315 108.800 0.021 0.000 2.375 4811 G HA2 0.518 4.478 3.960 -0.000 0.000 0.663 4811 G HA3 0.518 4.478 3.960 -0.000 0.000 0.663 4811 G C -0.115 174.796 174.900 0.018 0.000 1.391 4811 G CA -0.011 45.101 45.100 0.020 0.000 0.949 4811 G HN 2.129 nan 8.290 nan 0.000 0.646 4812 A N -0.627 122.201 122.820 0.014 0.000 5.949 4812 A HA 0.376 4.696 4.320 -0.000 0.000 0.275 4812 A C 1.157 178.746 177.584 0.008 0.000 2.055 4812 A CA 1.931 53.974 52.037 0.010 0.000 0.713 4812 A CB -1.612 17.396 19.000 0.013 0.000 1.146 4812 A HN 2.691 nan 8.150 nan 0.000 0.370 4813 S N -2.944 112.759 115.700 0.005 0.000 2.806 4813 S HA 0.639 5.109 4.470 -0.000 0.000 0.315 4813 S C 1.073 175.674 174.600 0.003 0.000 1.127 4813 S CA 0.218 58.419 58.200 0.002 0.000 0.918 4813 S CB 1.252 64.451 63.200 -0.001 0.000 1.240 4813 S HN 1.906 nan 8.310 nan 0.000 0.552 4814 I N 1.871 122.439 120.570 -0.002 0.000 2.493 4814 I HA -0.027 4.143 4.170 -0.000 0.000 0.254 4814 I C 1.283 177.400 176.117 0.000 0.000 1.160 4814 I CA 1.685 62.984 61.300 -0.002 0.000 1.445 4814 I CB -0.423 37.571 38.000 -0.009 0.000 1.086 4814 I HN 0.581 nan 8.210 nan 0.000 0.433 4815 D N 0.694 121.094 120.400 -0.001 0.000 2.178 4815 D HA -0.178 4.462 4.640 -0.000 0.000 0.201 4815 D C 1.559 177.861 176.300 0.003 0.000 0.980 4815 D CA 1.344 55.344 54.000 -0.000 0.000 0.842 4815 D CB -0.298 40.501 40.800 -0.002 0.000 0.948 4815 D HN 0.445 nan 8.370 nan 0.000 0.472 4816 D N -0.353 120.050 120.400 0.005 0.000 2.348 4816 D HA -0.029 4.611 4.640 -0.000 0.000 0.216 4816 D C 0.362 176.672 176.300 0.016 0.000 0.970 4816 D CA 0.499 54.504 54.000 0.009 0.000 0.889 4816 D CB -0.044 40.762 40.800 0.010 0.000 0.912 4816 D HN 0.019 nan 8.370 nan 0.000 0.524 4817 T N 1.324 115.888 114.554 0.016 0.000 2.939 4817 T HA 0.147 4.497 4.350 -0.000 0.000 0.319 4817 T C 0.318 175.032 174.700 0.024 0.000 1.082 4817 T CA 0.286 62.399 62.100 0.022 0.000 1.133 4817 T CB 0.423 69.301 68.868 0.016 0.000 1.019 4817 T HN 0.318 nan 8.240 nan 0.000 0.548 4818 E N 0.758 120.978 120.200 0.033 0.000 2.429 4818 E HA 0.554 4.904 4.350 -0.000 0.000 0.280 4818 E C -1.814 174.810 176.600 0.040 0.000 1.068 4818 E CA -1.082 55.339 56.400 0.034 0.000 0.837 4818 E CB 0.970 30.692 29.700 0.037 0.000 1.357 4818 E HN 0.349 nan 8.360 nan 0.000 0.455 4819 L N 1.226 122.470 121.223 0.036 0.000 2.317 4819 L HA 0.592 4.932 4.340 -0.000 0.000 0.281 4819 L C -1.532 175.366 176.870 0.047 0.000 1.024 4819 L CA -0.551 54.311 54.840 0.037 0.000 0.810 4819 L CB 1.344 43.419 42.059 0.026 0.000 1.240 4819 L HN 0.626 nan 8.230 nan 0.000 0.427 4820 I N 4.314 124.916 120.570 0.054 0.000 2.411 4820 I HA 0.328 4.497 4.170 -0.000 0.000 0.284 4820 I C -0.227 175.918 176.117 0.046 0.000 1.012 4820 I CA -0.476 60.866 61.300 0.069 0.000 1.119 4820 I CB 1.358 39.429 38.000 0.118 0.000 1.261 4820 I HN 0.419 nan 8.210 nan 0.000 0.448 4821 K N 4.799 125.221 120.400 0.036 0.000 2.199 4821 K HA 0.546 4.866 4.320 -0.000 0.000 0.226 4821 K C 0.427 177.040 176.600 0.023 0.000 1.237 4821 K CA 0.066 56.367 56.287 0.024 0.000 1.170 4821 K CB -0.335 32.173 32.500 0.013 0.000 1.418 4821 K HN 0.874 nan 8.250 nan 0.000 0.255 4822 G N -1.399 107.415 108.800 0.023 0.000 2.441 4822 G HA2 0.263 4.223 3.960 -0.000 0.000 0.225 4822 G HA3 0.263 4.223 3.960 -0.000 0.000 0.225 4822 G C -1.617 173.283 174.900 -0.001 0.000 1.200 4822 G CA -0.630 44.480 45.100 0.017 0.000 0.947 4822 G HN 0.064 nan 8.290 nan 0.000 0.484 4823 V N 0.381 120.285 119.914 -0.016 0.000 3.007 4823 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 4823 V C -0.876 175.143 176.094 -0.125 0.000 1.120 4823 V CA -0.679 61.583 62.300 -0.063 0.000 0.980 4823 V CB 2.013 33.788 31.823 -0.079 0.000 1.033 4823 V HN 0.829 nan 8.190 nan 0.000 0.429 4824 L N 4.050 125.156 121.223 -0.194 0.000 2.345 4824 L HA 0.694 5.034 4.340 -0.000 0.000 0.274 4824 L C -1.204 175.507 176.870 -0.266 0.000 0.999 4824 L CA -0.368 54.239 54.840 -0.389 0.000 0.849 4824 L CB 1.460 43.228 42.059 -0.485 0.000 1.220 4824 L HN 0.487 nan 8.230 nan 0.000 0.422 4825 V N 3.324 123.097 119.914 -0.234 0.000 2.472 4825 V HA 0.254 4.374 4.120 -0.000 0.000 0.290 4825 V C -0.220 175.809 176.094 -0.108 0.000 1.037 4825 V CA -0.657 61.571 62.300 -0.121 0.000 0.908 4825 V CB 1.703 33.502 31.823 -0.040 0.000 0.985 4825 V HN 0.778 nan 8.190 nan 0.000 0.454 4826 D N 3.409 123.770 120.400 -0.066 0.000 2.896 4826 D HA 0.277 4.917 4.640 -0.000 0.000 0.240 4826 D C -0.142 176.155 176.300 -0.005 0.000 1.193 4826 D CA -0.257 53.719 54.000 -0.039 0.000 0.983 4826 D CB 0.201 40.982 40.800 -0.032 0.000 1.074 4826 D HN 0.500 nan 8.370 nan 0.000 0.496 4827 K N -0.088 120.318 120.400 0.010 0.000 2.439 4827 K HA 0.511 4.831 4.320 -0.000 0.000 0.260 4827 K C -0.633 175.987 176.600 0.034 0.000 1.032 4827 K CA -0.919 55.386 56.287 0.031 0.000 0.882 4827 K CB 2.545 35.080 32.500 0.059 0.000 1.420 4827 K HN 0.088 nan 8.250 nan 0.000 0.455 4828 E N 0.706 120.923 120.200 0.029 0.000 2.320 4828 E HA 0.288 4.638 4.350 -0.000 0.000 0.264 4828 E C -1.071 175.533 176.600 0.007 0.000 0.923 4828 E CA -0.841 55.574 56.400 0.024 0.000 0.796 4828 E CB 1.566 31.278 29.700 0.020 0.000 1.262 4828 E HN 0.288 nan 8.360 nan 0.000 0.428 4829 R N 1.826 122.327 120.500 0.002 0.000 2.404 4829 R HA 0.046 4.386 4.340 -0.000 0.000 0.315 4829 R C 1.089 177.378 176.300 -0.018 0.000 1.032 4829 R CA -0.224 55.862 56.100 -0.022 0.000 0.992 4829 R CB 0.471 30.761 30.300 -0.016 0.000 0.959 4829 R HN 0.376 nan 8.270 nan 0.000 0.428 4830 V N 1.773 121.668 119.914 -0.032 0.000 2.380 4830 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 4830 V C 1.211 177.299 176.094 -0.010 0.000 1.063 4830 V CA 1.794 64.080 62.300 -0.023 0.000 1.055 4830 V CB -0.240 31.562 31.823 -0.036 0.000 0.657 4830 V HN 0.709 nan 8.190 nan 0.000 0.455 4831 S N -1.412 114.284 115.700 -0.007 0.000 2.501 4831 S HA 0.657 5.127 4.470 -0.000 0.000 0.301 4831 S C 0.872 175.479 174.600 0.011 0.000 1.096 4831 S CA -0.186 58.021 58.200 0.012 0.000 1.063 4831 S CB 1.894 65.111 63.200 0.029 0.000 1.042 4831 S HN 0.311 nan 8.310 nan 0.000 0.494 4832 A N 3.442 126.272 122.820 0.015 0.000 1.930 4832 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 4832 A C 1.920 179.509 177.584 0.009 0.000 1.175 4832 A CA 1.022 53.065 52.037 0.010 0.000 0.627 4832 A CB -0.475 18.530 19.000 0.008 0.000 0.815 4832 A HN 0.806 nan 8.150 nan 0.000 0.443 4833 Q N -0.490 119.317 119.800 0.013 0.000 2.472 4833 Q HA 0.121 4.461 4.340 -0.000 0.000 0.208 4833 Q C 0.494 176.502 176.000 0.014 0.000 0.958 4833 Q CA 0.208 56.017 55.803 0.011 0.000 0.932 4833 Q CB -0.338 28.406 28.738 0.010 0.000 1.007 4833 Q HN 0.692 nan 8.270 nan 0.000 0.508 4834 M N 1.798 121.405 119.600 0.013 0.000 2.248 4834 M HA 0.092 4.572 4.480 -0.000 0.000 0.337 4834 M C -1.948 174.356 176.300 0.006 0.000 1.121 4834 M CA -1.427 53.877 55.300 0.008 0.000 1.155 4834 M CB -0.105 32.493 32.600 -0.003 0.000 1.514 4834 M HN -0.194 nan 8.290 nan 0.000 0.452 4835 P HA 0.003 nan 4.420 nan 0.000 0.267 4835 P C -0.328 176.976 177.300 0.007 0.000 1.200 4835 P CA 0.194 63.298 63.100 0.007 0.000 0.772 4835 P CB 0.469 32.173 31.700 0.007 0.000 0.855 4836 K N 1.268 121.673 120.400 0.008 0.000 2.393 4836 K HA 0.051 4.371 4.320 -0.000 0.000 0.193 4836 K C 0.089 176.697 176.600 0.014 0.000 1.026 4836 K CA 0.431 56.725 56.287 0.011 0.000 1.064 4836 K CB 0.184 32.689 32.500 0.009 0.000 0.833 4836 K HN 0.142 nan 8.250 nan 0.000 0.521 4837 K N 0.249 120.657 120.400 0.012 0.000 2.571 4837 K HA 0.228 4.548 4.320 -0.000 0.000 0.252 4837 K C -2.224 174.384 176.600 0.013 0.000 0.956 4837 K CA -0.657 55.638 56.287 0.013 0.000 0.822 4837 K CB 2.037 34.541 32.500 0.008 0.000 1.286 4837 K HN -0.116 nan 8.250 nan 0.000 0.439 4838 V N 3.895 123.820 119.914 0.018 0.000 2.638 4838 V HA 0.773 4.893 4.120 -0.000 0.000 0.306 4838 V C -1.257 174.849 176.094 0.020 0.000 1.052 4838 V CA -0.029 62.282 62.300 0.018 0.000 0.885 4838 V CB 1.984 33.819 31.823 0.021 0.000 0.999 4838 V HN 0.953 nan 8.190 nan 0.000 0.424 4839 T N 1.542 116.106 114.554 0.016 0.000 2.855 4839 T HA 0.515 4.865 4.350 -0.000 0.000 0.281 4839 T C 0.029 174.739 174.700 0.016 0.000 1.007 4839 T CA 0.176 62.284 62.100 0.015 0.000 1.009 4839 T CB 1.257 70.131 68.868 0.010 0.000 0.983 4839 T HN 1.076 nan 8.240 nan 0.000 0.455 4840 D N 0.676 121.086 120.400 0.016 0.000 2.689 4840 D HA -0.156 4.484 4.640 -0.000 0.000 0.237 4840 D C 0.396 176.709 176.300 0.022 0.000 1.148 4840 D CA 0.875 54.885 54.000 0.017 0.000 0.656 4840 D CB -1.216 39.592 40.800 0.013 0.000 1.050 4840 D HN 1.121 nan 8.370 nan 0.000 0.426 4841 A N 1.323 124.160 122.820 0.028 0.000 2.498 4841 A HA 0.369 4.689 4.320 -0.000 0.000 0.239 4841 A C 0.536 178.143 177.584 0.038 0.000 1.068 4841 A CA 0.230 52.288 52.037 0.035 0.000 0.766 4841 A CB 0.578 19.606 19.000 0.046 0.000 1.003 4841 A HN 0.162 nan 8.150 nan 0.000 0.497 4842 K N 2.487 122.910 120.400 0.038 0.000 2.389 4842 K HA 0.417 4.737 4.320 -0.000 0.000 0.261 4842 K C -1.253 175.380 176.600 0.054 0.000 1.014 4842 K CA -0.212 56.100 56.287 0.040 0.000 0.920 4842 K CB 1.059 33.578 32.500 0.031 0.000 1.149 4842 K HN 0.537 nan 8.250 nan 0.000 0.444 4843 I N 1.932 122.545 120.570 0.072 0.000 2.365 4843 I HA 0.299 4.469 4.170 -0.000 0.000 0.291 4843 I C 0.354 176.533 176.117 0.102 0.000 1.004 4843 I CA -0.375 60.992 61.300 0.111 0.000 1.311 4843 I CB 1.582 39.676 38.000 0.156 0.000 1.401 4843 I HN 0.485 nan 8.210 nan 0.000 0.491 4844 A N 6.445 129.335 122.820 0.117 0.000 2.318 4844 A HA 0.806 5.126 4.320 -0.000 0.000 0.324 4844 A C -1.129 176.544 177.584 0.147 0.000 1.170 4844 A CA -0.516 51.581 52.037 0.099 0.000 0.810 4844 A CB 0.974 20.013 19.000 0.066 0.000 1.198 4844 A HN 0.600 nan 8.150 nan 0.000 0.484 4845 L N 3.647 124.936 121.223 0.109 0.000 2.324 4845 L HA 0.580 4.920 4.340 -0.000 0.000 0.274 4845 L C -1.213 175.701 176.870 0.073 0.000 1.012 4845 L CA -0.011 54.895 54.840 0.110 0.000 0.859 4845 L CB 0.518 42.611 42.059 0.057 0.000 1.224 4845 L HN 0.646 nan 8.230 nan 0.000 0.429 4846 L N 4.215 125.487 121.223 0.082 0.000 2.334 4846 L HA 0.533 4.873 4.340 -0.000 0.000 0.276 4846 L C 0.804 177.705 176.870 0.052 0.000 1.014 4846 L CA -0.464 54.409 54.840 0.054 0.000 0.815 4846 L CB 1.834 43.921 42.059 0.046 0.000 1.268 4846 L HN 0.600 nan 8.230 nan 0.000 0.428 4847 N N 0.529 119.250 118.700 0.035 0.000 2.397 4847 N HA -0.022 4.718 4.740 -0.000 0.000 0.190 4847 N C 0.249 175.773 175.510 0.023 0.000 1.099 4847 N CA -0.159 52.908 53.050 0.029 0.000 0.876 4847 N CB 0.593 39.092 38.487 0.021 0.000 1.143 4847 N HN 0.580 nan 8.380 nan 0.000 0.468 4848 C N 2.492 121.804 119.300 0.021 0.000 2.644 4848 C HA 0.655 5.115 4.460 -0.000 0.000 0.417 4848 C C 1.003 176.003 174.990 0.016 0.000 1.304 4848 C CA -0.712 58.316 59.018 0.016 0.000 2.035 4848 C CB -0.813 26.936 27.740 0.016 0.000 2.673 4848 C HN 0.430 nan 8.230 nan 0.000 0.602 4849 A N 6.615 129.441 122.820 0.011 0.000 2.462 4849 A HA 0.454 4.774 4.320 -0.000 0.000 0.243 4849 A C 0.252 177.840 177.584 0.006 0.000 1.076 4849 A CA -0.129 51.913 52.037 0.007 0.000 0.773 4849 A CB 0.058 19.060 19.000 0.002 0.000 1.010 4849 A HN 0.799 nan 8.150 nan 0.000 0.493 4850 I N 3.271 123.843 120.570 0.003 0.000 2.234 4850 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 4850 I C 0.618 176.734 176.117 -0.001 0.000 1.131 4850 I CA 0.431 61.733 61.300 0.005 0.000 1.335 4850 I CB -1.471 36.533 38.000 0.006 0.000 1.511 4850 I HN 0.887 nan 8.210 nan 0.000 0.588 4851 E N 3.750 123.951 120.200 0.002 0.000 2.431 4851 E HA 0.517 4.867 4.350 -0.000 0.000 0.268 4851 E C -0.668 175.937 176.600 0.008 0.000 0.953 4851 E CA -1.012 55.387 56.400 -0.001 0.000 0.810 4851 E CB 1.972 31.668 29.700 -0.006 0.000 1.369 4851 E HN -0.038 nan 8.360 nan 0.000 0.440 4852 I N 2.406 122.982 120.570 0.009 0.000 2.483 4852 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 4852 I C 0.384 176.509 176.117 0.013 0.000 1.112 4852 I CA -0.154 61.155 61.300 0.016 0.000 1.350 4852 I CB -0.510 37.502 38.000 0.018 0.000 1.419 4852 I HN 0.411 nan 8.210 nan 0.000 0.523 4853 K N 5.939 126.348 120.400 0.015 0.000 2.414 4853 K HA 0.162 4.482 4.320 -0.000 0.000 0.272 4853 K C 0.265 176.873 176.600 0.014 0.000 0.993 4853 K CA -0.113 56.181 56.287 0.013 0.000 0.964 4853 K CB 1.084 33.592 32.500 0.014 0.000 0.925 4853 K HN 0.425 nan 8.250 nan 0.000 0.487 4854 E N 0.942 121.148 120.200 0.009 0.000 2.288 4854 E HA 0.168 4.518 4.350 -0.000 0.000 0.268 4854 E C -0.424 176.181 176.600 0.008 0.000 0.885 4854 E CA -0.612 55.792 56.400 0.008 0.000 0.767 4854 E CB 1.770 31.471 29.700 0.002 0.000 1.220 4854 E HN 0.622 nan 8.360 nan 0.000 0.427 4855 T N -0.286 114.273 114.554 0.008 0.000 2.903 4855 T HA 0.077 4.427 4.350 -0.000 0.000 0.314 4855 T C 1.071 175.774 174.700 0.004 0.000 1.078 4855 T CA -0.432 61.672 62.100 0.008 0.000 1.114 4855 T CB 0.959 69.833 68.868 0.009 0.000 0.987 4855 T HN 0.231 nan 8.240 nan 0.000 0.548 4856 E N 0.760 120.962 120.200 0.004 0.000 2.077 4856 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 4856 E C 1.290 177.891 176.600 0.002 0.000 0.989 4856 E CA 0.977 57.378 56.400 0.003 0.000 0.800 4856 E CB -0.547 29.155 29.700 0.003 0.000 0.746 4856 E HN 0.805 nan 8.360 nan 0.000 0.452 4857 T N 1.597 116.152 114.554 0.002 0.000 2.919 4857 T HA -0.027 4.323 4.350 -0.000 0.000 0.302 4857 T C -0.188 174.512 174.700 -0.000 0.000 1.031 4857 T CA -0.563 61.538 62.100 0.002 0.000 1.127 4857 T CB 0.585 69.455 68.868 0.003 0.000 0.952 4857 T HN -0.153 nan 8.240 nan 0.000 0.540 4858 D N 2.517 122.916 120.400 -0.002 0.000 2.458 4858 D HA 0.427 5.066 4.640 -0.000 0.000 0.243 4858 D C -0.416 175.881 176.300 -0.006 0.000 1.146 4858 D CA 0.170 54.167 54.000 -0.005 0.000 0.877 4858 D CB 0.520 41.316 40.800 -0.006 0.000 1.176 4858 D HN 0.759 nan 8.370 nan 0.000 0.461 4859 A N 3.431 126.245 122.820 -0.010 0.000 2.556 4859 A HA 0.720 5.040 4.320 -0.000 0.000 0.294 4859 A C -0.895 176.674 177.584 -0.026 0.000 1.091 4859 A CA -0.693 51.336 52.037 -0.012 0.000 0.704 4859 A CB 1.699 20.696 19.000 -0.005 0.000 1.300 4859 A HN 0.588 nan 8.150 nan 0.000 0.406 4860 E N 0.615 120.795 120.200 -0.035 0.000 2.381 4860 E HA 0.455 4.805 4.350 -0.000 0.000 0.286 4860 E C -1.818 174.732 176.600 -0.083 0.000 0.960 4860 E CA -0.672 55.691 56.400 -0.062 0.000 0.793 4860 E CB 1.279 30.948 29.700 -0.052 0.000 1.225 4860 E HN 0.496 nan 8.360 nan 0.000 0.420 4861 I N 3.296 123.770 120.570 -0.159 0.000 2.496 4861 I HA 0.183 4.353 4.170 -0.000 0.000 0.285 4861 I C 0.172 176.190 176.117 -0.165 0.000 1.080 4861 I CA -0.030 61.123 61.300 -0.244 0.000 1.404 4861 I CB 0.553 38.167 38.000 -0.644 0.000 1.403 4861 I HN 0.293 nan 8.210 nan 0.000 0.539 4862 R N 7.356 127.809 120.500 -0.079 0.000 2.423 4862 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 4862 R C -0.625 175.682 176.300 0.012 0.000 1.196 4862 R CA -0.570 55.512 56.100 -0.030 0.000 1.262 4862 R CB 0.204 30.502 30.300 -0.004 0.000 1.116 4862 R HN 0.554 nan 8.270 nan 0.000 0.566 4863 I N 1.896 122.462 120.570 -0.007 0.000 2.588 4863 I HA -0.001 4.169 4.170 -0.000 0.000 0.283 4863 I C 1.440 177.586 176.117 0.048 0.000 1.119 4863 I CA 0.561 61.896 61.300 0.058 0.000 1.419 4863 I CB 1.056 39.081 38.000 0.040 0.000 1.394 4863 I HN 0.524 nan 8.210 nan 0.000 0.562 4864 T N -0.753 113.841 114.554 0.066 0.000 3.087 4864 T HA 0.272 4.622 4.350 -0.000 0.000 0.283 4864 T C 0.071 174.796 174.700 0.042 0.000 0.956 4864 T CA -0.328 61.798 62.100 0.044 0.000 0.894 4864 T CB 0.304 69.196 68.868 0.039 0.000 1.160 4864 T HN 0.450 nan 8.240 nan 0.000 0.532 4865 D N 1.373 121.805 120.400 0.054 0.000 2.857 4865 D HA 0.322 4.962 4.640 -0.000 0.000 0.227 4865 D C -2.326 174.005 176.300 0.051 0.000 1.192 4865 D CA -1.511 52.515 54.000 0.043 0.000 0.857 4865 D CB 2.768 43.589 40.800 0.035 0.000 1.645 4865 D HN -0.235 nan 8.370 nan 0.000 0.482 4866 P HA -0.120 nan 4.420 nan 0.000 0.218 4866 P C 1.157 178.481 177.300 0.040 0.000 1.148 4866 P CA 1.067 64.189 63.100 0.037 0.000 0.822 4866 P CB 0.291 32.006 31.700 0.025 0.000 0.784 4867 A N -0.014 122.824 122.820 0.030 0.000 1.978 4867 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 4867 A C 2.069 179.666 177.584 0.023 0.000 1.170 4867 A CA 1.653 53.701 52.037 0.018 0.000 0.636 4867 A CB -0.950 18.052 19.000 0.003 0.000 0.810 4867 A HN 0.195 nan 8.150 nan 0.000 0.448 4868 K N -0.455 119.981 120.400 0.060 0.000 2.155 4868 K HA 0.069 4.389 4.320 -0.000 0.000 0.203 4868 K C 1.687 178.429 176.600 0.237 0.000 1.052 4868 K CA 0.888 57.250 56.287 0.125 0.000 0.948 4868 K CB -0.310 32.343 32.500 0.254 0.000 0.728 4868 K HN 0.476 nan 8.250 nan 0.000 0.448 4869 L N 0.411 121.730 121.223 0.160 0.000 2.127 4869 L HA -0.213 4.127 4.340 -0.000 0.000 0.211 4869 L C 2.384 179.328 176.870 0.125 0.000 1.089 4869 L CA 0.949 55.872 54.840 0.139 0.000 0.757 4869 L CB -0.310 41.795 42.059 0.077 0.000 0.899 4869 L HN 0.257 nan 8.230 nan 0.000 0.434 4870 M N -1.404 118.246 119.600 0.083 0.000 2.357 4870 M HA -0.074 4.406 4.480 -0.000 0.000 0.266 4870 M C 2.190 178.508 176.300 0.031 0.000 1.095 4870 M CA 1.049 56.380 55.300 0.052 0.000 1.156 4870 M CB -0.952 31.664 32.600 0.026 0.000 1.365 4870 M HN 0.189 nan 8.290 nan 0.000 0.447 4871 E N 0.666 120.858 120.200 -0.013 0.000 2.070 4871 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 4871 E C 1.937 178.435 176.600 -0.169 0.000 1.004 4871 E CA 1.708 58.023 56.400 -0.142 0.000 0.805 4871 E CB -0.195 29.336 29.700 -0.282 0.000 0.744 4871 E HN 0.455 nan 8.360 nan 0.000 0.451 4872 F N 0.401 120.355 119.950 0.007 0.000 2.206 4872 F HA -0.018 4.509 4.527 0.000 0.000 0.298 4872 F C 2.515 178.321 175.800 0.010 0.000 1.090 4872 F CA 0.573 58.578 58.000 0.007 0.000 1.323 4872 F CB -0.195 38.809 39.000 0.006 0.000 1.028 4872 F HN -0.016 nan 8.300 nan 0.000 0.492 4873 I N -0.029 120.655 120.570 0.190 0.000 2.163 4873 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 4873 I C 2.288 178.451 176.117 0.076 0.000 1.085 4873 I CA 1.304 62.671 61.300 0.113 0.000 1.347 4873 I CB -0.391 37.659 38.000 0.084 0.000 1.044 4873 I HN 0.109 nan 8.210 nan 0.000 0.408 4874 E N 0.199 120.429 120.200 0.050 0.000 2.150 4874 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 4874 E C 2.022 178.634 176.600 0.021 0.000 0.985 4874 E CA 0.949 57.364 56.400 0.026 0.000 0.814 4874 E CB -0.189 29.513 29.700 0.003 0.000 0.752 4874 E HN 0.447 nan 8.360 nan 0.000 0.466 4875 Q N 1.347 121.159 119.800 0.020 0.000 2.079 4875 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 4875 Q C 1.673 177.703 176.000 0.050 0.000 0.974 4875 Q CA 1.575 57.390 55.803 0.019 0.000 0.840 4875 Q CB 0.019 28.759 28.738 0.004 0.000 0.898 4875 Q HN 0.287 nan 8.270 nan 0.000 0.430 4876 E N -0.407 119.838 120.200 0.076 0.000 2.152 4876 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 4876 E C 1.844 178.481 176.600 0.061 0.000 0.983 4876 E CA 0.810 57.253 56.400 0.072 0.000 0.818 4876 E CB 0.094 29.842 29.700 0.079 0.000 0.758 4876 E HN 0.346 nan 8.360 nan 0.000 0.467 4877 E N 1.052 121.288 120.200 0.060 0.000 2.072 4877 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 4877 E C 1.910 178.541 176.600 0.052 0.000 0.985 4877 E CA 0.849 57.288 56.400 0.065 0.000 0.801 4877 E CB -0.114 29.621 29.700 0.058 0.000 0.750 4877 E HN 0.164 nan 8.360 nan 0.000 0.452 4878 K N 0.652 121.072 120.400 0.034 0.000 2.026 4878 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 4878 K C 2.282 178.898 176.600 0.026 0.000 1.048 4878 K CA 1.362 57.661 56.287 0.020 0.000 0.929 4878 K CB -0.161 32.344 32.500 0.009 0.000 0.713 4878 K HN 0.041 nan 8.250 nan 0.000 0.439 4879 M N 0.938 120.558 119.600 0.033 0.000 2.108 4879 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 4879 M C 2.085 178.410 176.300 0.042 0.000 1.066 4879 M CA 1.471 56.792 55.300 0.035 0.000 1.107 4879 M CB -0.068 32.555 32.600 0.038 0.000 1.356 4879 M HN 0.357 nan 8.290 nan 0.000 0.406 4880 L N 0.096 121.353 121.223 0.056 0.000 2.027 4880 L HA -0.223 4.117 4.340 -0.000 0.000 0.206 4880 L C 2.249 179.176 176.870 0.096 0.000 1.074 4880 L CA 1.547 56.433 54.840 0.077 0.000 0.745 4880 L CB -0.303 41.813 42.059 0.097 0.000 0.898 4880 L HN 0.280 nan 8.230 nan 0.000 0.433 4881 K N -0.349 120.099 120.400 0.080 0.000 2.097 4881 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 4881 K C 1.657 178.270 176.600 0.022 0.000 1.049 4881 K CA 1.576 57.886 56.287 0.038 0.000 0.933 4881 K CB -0.162 32.329 32.500 -0.015 0.000 0.717 4881 K HN 0.356 nan 8.250 nan 0.000 0.442 4882 D N 0.529 120.943 120.400 0.022 0.000 2.144 4882 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 4882 D C 1.937 178.250 176.300 0.022 0.000 0.984 4882 D CA 0.996 55.006 54.000 0.015 0.000 0.834 4882 D CB 0.003 40.811 40.800 0.014 0.000 0.955 4882 D HN 0.069 nan 8.370 nan 0.000 0.465 4883 M N 0.376 119.995 119.600 0.032 0.000 2.084 4883 M HA -0.139 4.341 4.480 -0.000 0.000 0.259 4883 M C 2.455 178.778 176.300 0.037 0.000 1.072 4883 M CA 0.946 56.267 55.300 0.034 0.000 1.107 4883 M CB -1.094 31.529 32.600 0.039 0.000 1.299 4883 M HN -0.071 nan 8.290 nan 0.000 0.413 4884 V N 0.598 120.545 119.914 0.055 0.000 2.287 4884 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 4884 V C 2.734 178.851 176.094 0.038 0.000 1.053 4884 V CA 1.949 64.287 62.300 0.064 0.000 1.027 4884 V CB -1.462 30.435 31.823 0.124 0.000 0.646 4884 V HN 0.544 nan 8.190 nan 0.000 0.447 4885 A N -0.156 122.677 122.820 0.022 0.000 1.940 4885 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 4885 A C 2.192 179.781 177.584 0.009 0.000 1.176 4885 A CA 2.187 54.227 52.037 0.005 0.000 0.631 4885 A CB -0.528 18.468 19.000 -0.007 0.000 0.814 4885 A HN 0.570 nan 8.150 nan 0.000 0.446 4886 E N 0.267 120.476 120.200 0.014 0.000 2.077 4886 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 4886 E C 1.696 178.305 176.600 0.017 0.000 0.989 4886 E CA 1.380 57.788 56.400 0.014 0.000 0.800 4886 E CB -0.393 29.316 29.700 0.016 0.000 0.746 4886 E HN 0.657 nan 8.360 nan 0.000 0.452 4887 I N 0.614 121.196 120.570 0.021 0.000 2.142 4887 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 4887 I C 2.618 178.747 176.117 0.020 0.000 1.078 4887 I CA 1.283 62.597 61.300 0.022 0.000 1.343 4887 I CB -0.443 37.572 38.000 0.025 0.000 1.046 4887 I HN 0.102 nan 8.210 nan 0.000 0.405 4888 K N 1.680 122.091 120.400 0.018 0.000 2.063 4888 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 4888 K C 2.126 178.733 176.600 0.011 0.000 1.048 4888 K CA 1.807 58.103 56.287 0.015 0.000 0.928 4888 K CB -0.239 32.268 32.500 0.011 0.000 0.713 4888 K HN 0.317 nan 8.250 nan 0.000 0.442 4889 A N 0.506 123.331 122.820 0.010 0.000 2.024 4889 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 4889 A C 2.238 179.829 177.584 0.010 0.000 1.164 4889 A CA 2.163 54.205 52.037 0.008 0.000 0.643 4889 A CB -0.651 18.353 19.000 0.007 0.000 0.806 4889 A HN 0.440 nan 8.150 nan 0.000 0.451 4890 S N -1.966 113.742 115.700 0.014 0.000 2.453 4890 S HA 0.217 4.687 4.470 -0.000 0.000 0.231 4890 S C 1.483 176.092 174.600 0.016 0.000 1.005 4890 S CA 1.624 59.834 58.200 0.016 0.000 0.949 4890 S CB -0.321 62.890 63.200 0.019 0.000 0.774 4890 S HN 1.817 nan 8.310 nan 0.000 0.510 4891 G N -0.010 108.799 108.800 0.015 0.000 2.176 4891 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.232 4891 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.232 4891 G C 0.152 175.063 174.900 0.019 0.000 0.986 4891 G CA 0.111 45.220 45.100 0.016 0.000 0.643 4891 G HN 1.019 nan 8.290 nan 0.000 0.522 4892 A N 0.049 122.882 122.820 0.022 0.000 2.477 4892 A HA 0.600 4.920 4.320 -0.000 0.000 0.246 4892 A C 1.080 178.677 177.584 0.020 0.000 1.078 4892 A CA 0.776 52.828 52.037 0.026 0.000 0.770 4892 A CB 0.183 19.201 19.000 0.030 0.000 1.011 4892 A HN 0.378 nan 8.150 nan 0.000 0.494 4893 N N 0.487 119.200 118.700 0.021 0.000 2.159 4893 N HA 0.167 4.907 4.740 -0.000 0.000 0.217 4893 N C -0.880 174.631 175.510 0.002 0.000 1.223 4893 N CA 0.369 53.427 53.050 0.013 0.000 0.896 4893 N CB 1.237 39.734 38.487 0.016 0.000 1.064 4893 N HN 0.360 nan 8.380 nan 0.000 0.518 4894 V N 1.888 121.807 119.914 0.008 0.000 2.709 4894 V HA 0.510 4.630 4.120 -0.000 0.000 0.308 4894 V C -1.075 175.007 176.094 -0.019 0.000 1.062 4894 V CA -0.908 61.378 62.300 -0.024 0.000 0.901 4894 V CB 2.695 34.540 31.823 0.036 0.000 1.003 4894 V HN -0.032 nan 8.190 nan 0.000 0.425 4895 L N 4.562 125.707 121.223 -0.130 0.000 2.470 4895 L HA 0.726 5.066 4.340 -0.000 0.000 0.268 4895 L C -1.728 174.999 176.870 -0.238 0.000 0.964 4895 L CA -0.045 54.750 54.840 -0.075 0.000 0.839 4895 L CB 1.767 43.802 42.059 -0.041 0.000 1.276 4895 L HN 0.476 nan 8.230 nan 0.000 0.403 4896 F N 4.864 124.818 119.950 0.006 0.000 2.388 4896 F HA 0.524 5.051 4.527 -0.000 0.000 0.358 4896 F C 0.206 176.007 175.800 0.001 0.000 1.122 4896 F CA -0.241 57.761 58.000 0.002 0.000 1.056 4896 F CB 1.435 40.436 39.000 0.001 0.000 1.155 4896 F HN 0.575 nan 8.300 nan 0.000 0.461 4897 C N 4.697 124.068 119.300 0.118 0.000 2.376 4897 C HA 0.287 4.747 4.460 -0.000 0.000 0.335 4897 C C 1.503 176.540 174.990 0.079 0.000 1.229 4897 C CA -0.377 58.686 59.018 0.075 0.000 1.867 4897 C CB 1.181 28.936 27.740 0.024 0.000 2.319 4897 C HN 0.946 nan 8.230 nan 0.000 0.515 4898 Q N 2.836 122.672 119.800 0.059 0.000 2.062 4898 Q HA 0.007 4.347 4.340 -0.000 0.000 0.196 4898 Q C 1.106 177.124 176.000 0.030 0.000 0.967 4898 Q CA 1.481 57.312 55.803 0.046 0.000 0.832 4898 Q CB 0.132 28.890 28.738 0.033 0.000 0.899 4898 Q HN 0.696 nan 8.270 nan 0.000 0.442 4899 K N -0.296 120.117 120.400 0.021 0.000 2.894 4899 K HA 0.302 4.622 4.320 -0.000 0.000 0.325 4899 K C 0.583 177.186 176.600 0.004 0.000 0.984 4899 K CA 0.211 56.504 56.287 0.010 0.000 1.266 4899 K CB -0.894 31.610 32.500 0.006 0.000 1.423 4899 K HN 0.169 nan 8.250 nan 0.000 0.614 4900 G N 0.231 109.028 108.800 -0.005 0.000 2.504 4900 G HA2 0.552 4.512 3.960 -0.000 0.000 0.288 4900 G HA3 0.552 4.512 3.960 -0.000 0.000 0.288 4900 G C -0.557 174.328 174.900 -0.025 0.000 1.182 4900 G CA -0.582 44.508 45.100 -0.016 0.000 0.894 4900 G HN 0.300 nan 8.290 nan 0.000 0.521 4901 I N 1.132 121.678 120.570 -0.040 0.000 2.439 4901 I HA 0.148 4.318 4.170 -0.000 0.000 0.283 4901 I C -0.343 175.722 176.117 -0.085 0.000 1.023 4901 I CA -0.738 60.527 61.300 -0.059 0.000 1.100 4901 I CB 1.803 39.766 38.000 -0.062 0.000 1.238 4901 I HN 0.450 nan 8.210 nan 0.000 0.445 4902 D N 5.009 125.351 120.400 -0.097 0.000 2.449 4902 D HA -0.082 4.558 4.640 -0.000 0.000 0.236 4902 D C 0.638 176.811 176.300 -0.213 0.000 1.149 4902 D CA 0.279 54.201 54.000 -0.130 0.000 0.878 4902 D CB 1.277 42.005 40.800 -0.120 0.000 1.198 4902 D HN 0.476 nan 8.370 nan 0.000 0.446 4903 D N 2.475 122.725 120.400 -0.250 0.000 2.133 4903 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 4903 D C 1.756 177.560 176.300 -0.828 0.000 0.997 4903 D CA 0.689 54.435 54.000 -0.424 0.000 0.840 4903 D CB -0.104 40.505 40.800 -0.319 0.000 0.947 4903 D HN 0.339 nan 8.370 nan 0.000 0.452 4904 L N 0.805 121.646 121.223 -0.637 0.000 2.042 4904 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 4904 L C 2.133 178.532 176.870 -0.784 0.000 1.076 4904 L CA 1.750 56.162 54.840 -0.713 0.000 0.749 4904 L CB -0.752 41.042 42.059 -0.443 0.000 0.893 4904 L HN -0.011 nan 8.230 nan 0.000 0.432 4905 A N -1.252 121.282 122.820 -0.477 0.000 1.902 4905 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 4905 A C 2.162 179.629 177.584 -0.195 0.000 1.181 4905 A CA 1.796 53.667 52.037 -0.278 0.000 0.623 4905 A CB -0.553 18.363 19.000 -0.140 0.000 0.818 4905 A HN 0.656 nan 8.150 nan 0.000 0.443 4906 Q N -1.001 118.659 119.800 -0.234 0.000 2.096 4906 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 4906 Q C 1.913 177.911 176.000 -0.003 0.000 0.982 4906 Q CA 1.835 57.567 55.803 -0.119 0.000 0.850 4906 Q CB -0.411 28.251 28.738 -0.127 0.000 0.901 4906 Q HN 0.897 nan 8.270 nan 0.000 0.422 4907 H N -1.105 117.887 119.070 -0.130 0.000 2.321 4907 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 4907 H C 1.721 177.101 175.328 0.086 0.000 1.087 4907 H CA 1.103 57.109 56.048 -0.069 0.000 1.319 4907 H CB 0.067 29.741 29.762 -0.146 0.000 1.379 4907 H HN 0.252 nan 8.280 nan 0.000 0.501 4908 Y N 0.774 121.142 120.300 0.114 0.000 2.200 4908 Y HA -0.137 4.413 4.550 0.000 0.000 0.290 4908 Y C 2.548 178.468 175.900 0.032 0.000 1.137 4908 Y CA 0.489 58.623 58.100 0.056 0.000 1.163 4908 Y CB -0.882 37.598 38.460 0.034 0.000 0.988 4908 Y HN 0.140 nan 8.280 nan 0.000 0.518 4909 L N -0.526 120.802 121.223 0.174 0.000 2.042 4909 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 4909 L C 2.662 179.572 176.870 0.066 0.000 1.076 4909 L CA 1.385 56.276 54.840 0.084 0.000 0.749 4909 L CB -0.870 41.206 42.059 0.030 0.000 0.893 4909 L HN 0.194 nan 8.230 nan 0.000 0.432 4910 A N -0.043 122.823 122.820 0.078 0.000 1.898 4910 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 4910 A C 2.310 179.931 177.584 0.062 0.000 1.181 4910 A CA 1.622 53.696 52.037 0.061 0.000 0.620 4910 A CB -0.347 18.695 19.000 0.070 0.000 0.819 4910 A HN 0.311 nan 8.150 nan 0.000 0.442 4911 K N -0.289 120.167 120.400 0.093 0.000 2.209 4911 K HA -0.087 4.233 4.320 -0.000 0.000 0.204 4911 K C 1.209 177.837 176.600 0.047 0.000 1.048 4911 K CA 1.175 57.505 56.287 0.072 0.000 0.940 4911 K CB -0.009 32.551 32.500 0.100 0.000 0.729 4911 K HN 0.400 nan 8.250 nan 0.000 0.451 4912 E N -0.305 119.927 120.200 0.053 0.000 2.489 4912 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 4912 E C 0.848 177.462 176.600 0.024 0.000 1.057 4912 E CA 0.421 56.840 56.400 0.032 0.000 0.866 4912 E CB 0.479 30.201 29.700 0.036 0.000 0.916 4912 E HN 0.456 nan 8.360 nan 0.000 0.500 4913 G N 2.124 110.939 108.800 0.025 0.000 2.225 4913 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 4913 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 4913 G C 0.306 175.212 174.900 0.011 0.000 1.024 4913 G CA 0.301 45.411 45.100 0.016 0.000 0.784 4913 G HN 0.286 nan 8.290 nan 0.000 0.507 4914 I N 0.241 120.818 120.570 0.012 0.000 2.395 4914 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 4914 I C 0.779 176.884 176.117 -0.020 0.000 1.023 4914 I CA -0.872 60.427 61.300 -0.001 0.000 1.350 4914 I CB 1.558 39.561 38.000 0.004 0.000 1.409 4914 I HN -0.125 nan 8.210 nan 0.000 0.507 4915 V N 5.989 125.877 119.914 -0.043 0.000 2.509 4915 V HA 0.668 4.788 4.120 -0.000 0.000 0.284 4915 V C 0.347 176.350 176.094 -0.152 0.000 1.047 4915 V CA -0.280 61.972 62.300 -0.081 0.000 0.952 4915 V CB 1.270 33.047 31.823 -0.077 0.000 0.988 4915 V HN 0.872 nan 8.190 nan 0.000 0.469 4916 A N 4.007 126.726 122.820 -0.168 0.000 2.454 4916 A HA 0.986 5.306 4.320 -0.000 0.000 0.302 4916 A C -0.545 176.883 177.584 -0.260 0.000 1.079 4916 A CA -0.357 51.546 52.037 -0.222 0.000 0.731 4916 A CB 1.949 20.875 19.000 -0.124 0.000 1.299 4916 A HN 1.354 nan 8.150 nan 0.000 0.413 4917 A N 1.479 124.097 122.820 -0.336 0.000 2.393 4917 A HA 0.796 5.116 4.320 -0.000 0.000 0.306 4917 A C -0.121 177.414 177.584 -0.082 0.000 1.050 4917 A CA -0.647 51.259 52.037 -0.218 0.000 0.724 4917 A CB 1.010 19.826 19.000 -0.307 0.000 1.248 4917 A HN 1.258 nan 8.150 nan 0.000 0.424 4918 R N 1.474 121.955 120.500 -0.031 0.000 2.875 4918 R HA 0.735 5.075 4.340 -0.000 0.000 0.251 4918 R C -0.472 175.841 176.300 0.022 0.000 1.123 4918 R CA -0.808 55.289 56.100 -0.004 0.000 1.064 4918 R CB 0.492 30.779 30.300 -0.022 0.000 1.205 4918 R HN 0.489 nan 8.270 nan 0.000 0.503 4919 R N -0.553 119.959 120.500 0.019 0.000 3.405 4919 R HA -0.109 4.231 4.340 -0.000 0.000 0.258 4919 R C -0.670 175.651 176.300 0.035 0.000 1.030 4919 R CA 0.564 56.676 56.100 0.020 0.000 0.691 4919 R CB -2.547 27.759 30.300 0.010 0.000 1.093 4919 R HN 0.509 nan 8.270 nan 0.000 0.448 4920 V N 1.045 120.992 119.914 0.055 0.000 2.686 4920 V HA 0.085 4.205 4.120 -0.000 0.000 0.295 4920 V C 1.470 177.585 176.094 0.035 0.000 1.055 4920 V CA -0.308 62.031 62.300 0.066 0.000 1.050 4920 V CB 1.395 33.285 31.823 0.112 0.000 0.984 4920 V HN 0.175 nan 8.190 nan 0.000 0.482 4921 K N 3.366 123.779 120.400 0.022 0.000 2.414 4921 K HA 0.023 4.343 4.320 -0.000 0.000 0.272 4921 K C 1.346 177.948 176.600 0.004 0.000 0.993 4921 K CA -0.242 56.050 56.287 0.009 0.000 0.964 4921 K CB 0.365 32.866 32.500 0.001 0.000 0.925 4921 K HN 0.620 nan 8.250 nan 0.000 0.487 4922 K N 1.851 122.253 120.400 0.003 0.000 2.057 4922 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 4922 K C 1.530 178.125 176.600 -0.008 0.000 1.049 4922 K CA 1.810 58.097 56.287 -0.000 0.000 0.931 4922 K CB -0.130 32.370 32.500 0.001 0.000 0.714 4922 K HN 0.600 nan 8.250 nan 0.000 0.440 4923 S N 1.516 117.210 115.700 -0.010 0.000 2.399 4923 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 4923 S C 1.340 175.925 174.600 -0.026 0.000 1.022 4923 S CA 1.346 59.536 58.200 -0.016 0.000 0.983 4923 S CB -0.185 63.006 63.200 -0.014 0.000 0.803 4923 S HN 0.343 nan 8.310 nan 0.000 0.480 4924 D N 1.116 121.500 120.400 -0.027 0.000 2.144 4924 D HA 0.014 4.654 4.640 -0.000 0.000 0.200 4924 D C 1.864 178.124 176.300 -0.066 0.000 0.978 4924 D CA 0.724 54.696 54.000 -0.046 0.000 0.833 4924 D CB -0.188 40.591 40.800 -0.035 0.000 0.961 4924 D HN 0.242 nan 8.370 nan 0.000 0.470 4925 M N 0.539 120.114 119.600 -0.042 0.000 2.149 4925 M HA -0.117 4.363 4.480 -0.000 0.000 0.261 4925 M C 1.877 178.146 176.300 -0.052 0.000 1.064 4925 M CA 1.296 56.571 55.300 -0.042 0.000 1.102 4925 M CB -0.811 31.784 32.600 -0.008 0.000 1.369 4925 M HN 0.121 nan 8.290 nan 0.000 0.408 4926 E N -0.200 119.976 120.200 -0.040 0.000 2.107 4926 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 4926 E C 2.068 178.639 176.600 -0.048 0.000 0.982 4926 E CA 0.785 57.163 56.400 -0.036 0.000 0.809 4926 E CB 0.016 29.701 29.700 -0.025 0.000 0.756 4926 E HN 0.491 nan 8.360 nan 0.000 0.459 4927 K N 0.573 120.938 120.400 -0.058 0.000 2.097 4927 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 4927 K C 2.145 178.689 176.600 -0.095 0.000 1.050 4927 K CA 0.705 56.952 56.287 -0.066 0.000 0.938 4927 K CB -0.008 32.453 32.500 -0.065 0.000 0.718 4927 K HN 0.112 nan 8.250 nan 0.000 0.442 4928 L N 0.322 121.465 121.223 -0.134 0.000 2.093 4928 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 4928 L C 2.524 179.309 176.870 -0.142 0.000 1.085 4928 L CA 0.920 55.638 54.840 -0.203 0.000 0.755 4928 L CB -0.477 41.383 42.059 -0.333 0.000 0.904 4928 L HN 0.193 nan 8.230 nan 0.000 0.435 4929 A N 0.223 122.987 122.820 -0.093 0.000 1.873 4929 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 4929 A C 2.319 179.878 177.584 -0.042 0.000 1.186 4929 A CA 1.563 53.567 52.037 -0.054 0.000 0.616 4929 A CB -0.303 18.676 19.000 -0.035 0.000 0.823 4929 A HN 0.280 nan 8.150 nan 0.000 0.442 4930 K N -0.251 120.124 120.400 -0.042 0.000 2.009 4930 K HA -0.096 4.224 4.320 -0.000 0.000 0.210 4930 K C 2.388 178.969 176.600 -0.030 0.000 1.049 4930 K CA 1.280 57.548 56.287 -0.030 0.000 0.929 4930 K CB -0.371 32.111 32.500 -0.029 0.000 0.714 4930 K HN 0.435 nan 8.250 nan 0.000 0.440 4931 A N 0.891 123.683 122.820 -0.047 0.000 1.832 4931 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 4931 A C 2.291 179.853 177.584 -0.036 0.000 1.200 4931 A CA 2.135 54.145 52.037 -0.044 0.000 0.610 4931 A CB -1.093 17.867 19.000 -0.067 0.000 0.842 4931 A HN 0.268 nan 8.150 nan 0.000 0.444 4932 T N -0.872 113.649 114.554 -0.055 0.000 2.951 4932 T HA 0.283 4.633 4.350 -0.000 0.000 0.268 4932 T C 1.321 176.013 174.700 -0.012 0.000 1.073 4932 T CA 1.464 63.542 62.100 -0.037 0.000 1.134 4932 T CB -0.355 68.478 68.868 -0.059 0.000 0.884 4932 T HN 1.637 nan 8.240 nan 0.000 0.479 4933 G N 1.420 110.211 108.800 -0.015 0.000 2.182 4933 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.248 4933 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.248 4933 G C 0.045 174.947 174.900 0.003 0.000 1.042 4933 G CA -0.132 44.968 45.100 -0.001 0.000 0.775 4933 G HN 0.876 nan 8.290 nan 0.000 0.501 4934 A N -0.424 122.394 122.820 -0.004 0.000 2.303 4934 A HA 0.758 5.078 4.320 -0.000 0.000 0.317 4934 A C 0.186 177.772 177.584 0.004 0.000 1.149 4934 A CA -0.234 51.808 52.037 0.008 0.000 0.822 4934 A CB 0.904 19.913 19.000 0.015 0.000 1.131 4934 A HN 0.719 nan 8.150 nan 0.000 0.493 4935 N N 1.511 120.218 118.700 0.012 0.000 2.425 4935 N HA 0.357 5.097 4.740 -0.000 0.000 0.268 4935 N C -0.805 174.714 175.510 0.014 0.000 0.991 4935 N CA -0.278 52.778 53.050 0.010 0.000 0.931 4935 N CB 1.166 39.660 38.487 0.011 0.000 1.130 4935 N HN 0.289 nan 8.380 nan 0.000 0.493 4936 V N 4.882 124.802 119.914 0.010 0.000 2.485 4936 V HA 0.132 4.252 4.120 -0.000 0.000 0.287 4936 V C 0.457 176.560 176.094 0.015 0.000 1.022 4936 V CA 0.005 62.314 62.300 0.014 0.000 1.067 4936 V CB -0.130 31.698 31.823 0.008 0.000 0.967 4936 V HN 0.529 nan 8.190 nan 0.000 0.479 4937 I N 4.794 125.376 120.570 0.019 0.000 2.530 4937 I HA 0.334 4.504 4.170 -0.000 0.000 0.297 4937 I C 1.280 177.408 176.117 0.017 0.000 1.011 4937 I CA -0.230 61.081 61.300 0.017 0.000 1.107 4937 I CB 2.023 40.034 38.000 0.019 0.000 1.285 4937 I HN 0.773 nan 8.210 nan 0.000 0.436 4938 T N 1.938 116.500 114.554 0.014 0.000 2.755 4938 T HA 0.036 4.386 4.350 -0.000 0.000 0.251 4938 T C 0.830 175.538 174.700 0.014 0.000 1.044 4938 T CA 0.415 62.523 62.100 0.013 0.000 1.154 4938 T CB -0.098 68.776 68.868 0.011 0.000 0.866 4938 T HN 0.441 nan 8.240 nan 0.000 0.416 4939 N N 0.841 119.549 118.700 0.013 0.000 2.438 4939 N HA 0.259 4.999 4.740 -0.000 0.000 0.282 4939 N C 0.665 176.184 175.510 0.015 0.000 1.037 4939 N CA -0.719 52.340 53.050 0.014 0.000 0.942 4939 N CB 1.370 39.864 38.487 0.012 0.000 1.136 4939 N HN 0.174 nan 8.380 nan 0.000 0.481 4940 I N 3.677 124.257 120.570 0.016 0.000 2.335 4940 I HA -0.216 3.954 4.170 -0.000 0.000 0.251 4940 I C 1.818 177.944 176.117 0.015 0.000 1.129 4940 I CA 1.460 62.770 61.300 0.017 0.000 1.402 4940 I CB 0.051 38.062 38.000 0.018 0.000 1.069 4940 I HN 0.489 nan 8.210 nan 0.000 0.424 4941 K N 0.347 120.755 120.400 0.013 0.000 2.152 4941 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 4941 K C 1.629 178.236 176.600 0.011 0.000 1.048 4941 K CA 1.525 57.819 56.287 0.012 0.000 0.933 4941 K CB -0.573 31.934 32.500 0.011 0.000 0.721 4941 K HN 0.426 nan 8.250 nan 0.000 0.447 4942 D N 0.376 120.783 120.400 0.012 0.000 2.289 4942 D HA -0.042 4.598 4.640 -0.000 0.000 0.207 4942 D C 0.595 176.902 176.300 0.013 0.000 0.966 4942 D CA -0.059 53.948 54.000 0.011 0.000 0.868 4942 D CB -0.164 40.643 40.800 0.011 0.000 0.943 4942 D HN -0.021 nan 8.370 nan 0.000 0.514 4943 L N 1.340 122.571 121.223 0.015 0.000 2.559 4943 L HA 0.029 4.369 4.340 -0.000 0.000 0.282 4943 L C 0.377 177.256 176.870 0.015 0.000 1.232 4943 L CA 0.400 55.250 54.840 0.017 0.000 0.885 4943 L CB 0.272 42.343 42.059 0.019 0.000 1.131 4943 L HN -0.002 nan 8.230 nan 0.000 0.498 4944 S N 2.823 118.532 115.700 0.015 0.000 2.651 4944 S HA 0.761 5.231 4.470 -0.000 0.000 0.279 4944 S C 0.608 175.218 174.600 0.016 0.000 1.148 4944 S CA -0.389 57.819 58.200 0.014 0.000 0.837 4944 S CB 1.132 64.339 63.200 0.012 0.000 1.138 4944 S HN 0.838 nan 8.310 nan 0.000 0.478 4945 A N 0.598 123.427 122.820 0.015 0.000 1.978 4945 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 4945 A C 1.985 179.580 177.584 0.017 0.000 1.170 4945 A CA 1.416 53.462 52.037 0.016 0.000 0.636 4945 A CB -0.908 18.101 19.000 0.014 0.000 0.810 4945 A HN 0.730 nan 8.150 nan 0.000 0.448 4946 Q N 0.156 119.965 119.800 0.015 0.000 2.364 4946 Q HA -0.123 4.217 4.340 -0.000 0.000 0.207 4946 Q C 0.616 176.625 176.000 0.016 0.000 0.970 4946 Q CA 1.191 57.003 55.803 0.015 0.000 0.888 4946 Q CB -0.269 28.476 28.738 0.012 0.000 0.951 4946 Q HN 0.684 nan 8.270 nan 0.000 0.469 4947 D N -0.262 120.148 120.400 0.017 0.000 2.354 4947 D HA 0.065 4.705 4.640 -0.000 0.000 0.209 4947 D C 0.592 176.905 176.300 0.023 0.000 1.015 4947 D CA 0.037 54.048 54.000 0.018 0.000 0.867 4947 D CB 0.574 41.386 40.800 0.019 0.000 0.933 4947 D HN 0.200 nan 8.370 nan 0.000 0.520 4948 L N 0.906 122.144 121.223 0.025 0.000 2.461 4948 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 4948 L C 1.216 178.103 176.870 0.028 0.000 1.197 4948 L CA -0.169 54.689 54.840 0.030 0.000 0.836 4948 L CB 0.834 42.911 42.059 0.030 0.000 1.105 4948 L HN -0.092 nan 8.230 nan 0.000 0.477 4949 G N 0.995 109.815 108.800 0.034 0.000 2.509 4949 G HA2 0.484 4.444 3.960 -0.000 0.000 0.328 4949 G HA3 0.484 4.444 3.960 -0.000 0.000 0.328 4949 G C -1.360 173.560 174.900 0.033 0.000 1.194 4949 G CA -0.481 44.636 45.100 0.029 0.000 0.967 4949 G HN 0.536 nan 8.290 nan 0.000 0.488 4950 D N -0.187 120.230 120.400 0.027 0.000 2.498 4950 D HA 0.597 5.237 4.640 -0.000 0.000 0.247 4950 D C -0.459 175.856 176.300 0.026 0.000 1.070 4950 D CA -0.026 53.990 54.000 0.027 0.000 0.842 4950 D CB 2.153 42.965 40.800 0.020 0.000 1.361 4950 D HN 0.573 nan 8.370 nan 0.000 0.484 4951 A N 0.532 123.371 122.820 0.032 0.000 2.398 4951 A HA 0.609 4.929 4.320 -0.000 0.000 0.301 4951 A C 0.949 178.550 177.584 0.029 0.000 1.041 4951 A CA -0.540 51.518 52.037 0.034 0.000 0.711 4951 A CB 1.646 20.679 19.000 0.054 0.000 1.240 4951 A HN 0.521 nan 8.150 nan 0.000 0.420 4952 G N 0.470 109.282 108.800 0.019 0.000 2.443 4952 G HA2 0.313 4.273 3.960 -0.000 0.000 0.219 4952 G HA3 0.313 4.273 3.960 -0.000 0.000 0.219 4952 G C 0.223 175.137 174.900 0.023 0.000 1.131 4952 G CA 1.530 46.638 45.100 0.013 0.000 0.775 4952 G HN 1.109 nan 8.290 nan 0.000 0.547 4953 L N -0.315 120.931 121.223 0.039 0.000 2.549 4953 L HA 0.595 4.935 4.340 -0.000 0.000 0.259 4953 L C -1.531 175.385 176.870 0.077 0.000 0.934 4953 L CA -0.733 54.135 54.840 0.048 0.000 0.865 4953 L CB 2.449 44.531 42.059 0.038 0.000 1.352 4953 L HN -0.160 nan 8.230 nan 0.000 0.410 4954 V N 4.133 124.094 119.914 0.078 0.000 2.443 4954 V HA 0.694 4.814 4.120 -0.000 0.000 0.293 4954 V C -0.614 175.536 176.094 0.094 0.000 1.021 4954 V CA -0.421 61.942 62.300 0.104 0.000 0.848 4954 V CB 1.535 33.419 31.823 0.101 0.000 0.998 4954 V HN 0.820 nan 8.190 nan 0.000 0.424 4955 E N 3.115 123.393 120.200 0.130 0.000 2.343 4955 E HA 0.407 4.757 4.350 -0.000 0.000 0.278 4955 E C -1.138 175.558 176.600 0.161 0.000 0.910 4955 E CA -0.685 55.777 56.400 0.103 0.000 0.757 4955 E CB 2.357 32.086 29.700 0.048 0.000 1.218 4955 E HN 0.743 nan 8.360 nan 0.000 0.435 4956 E N 3.938 124.203 120.200 0.109 0.000 2.194 4956 E HA 0.241 4.591 4.350 -0.000 0.000 0.284 4956 E C -0.883 175.777 176.600 0.099 0.000 1.035 4956 E CA -0.234 56.241 56.400 0.124 0.000 0.836 4956 E CB 0.716 30.461 29.700 0.075 0.000 1.070 4956 E HN 0.329 nan 8.360 nan 0.000 0.401 4957 R N 3.447 124.050 120.500 0.172 0.000 2.740 4957 R HA 0.356 4.696 4.340 -0.000 0.000 0.282 4957 R C -1.018 175.364 176.300 0.138 0.000 0.969 4957 R CA -1.108 55.038 56.100 0.077 0.000 0.918 4957 R CB 1.537 31.740 30.300 -0.161 0.000 1.175 4957 R HN 0.256 nan 8.270 nan 0.000 0.464 4958 K N 2.142 122.582 120.400 0.067 0.000 2.227 4958 K HA 0.390 4.710 4.320 -0.000 0.000 0.280 4958 K C -0.527 176.119 176.600 0.077 0.000 1.041 4958 K CA -0.120 56.210 56.287 0.071 0.000 0.905 4958 K CB 0.836 33.359 32.500 0.039 0.000 1.068 4958 K HN 0.311 nan 8.250 nan 0.000 0.470 4959 I N 2.281 122.913 120.570 0.103 0.000 2.439 4959 I HA 0.145 4.315 4.170 -0.000 0.000 0.283 4959 I C 0.195 176.350 176.117 0.065 0.000 1.023 4959 I CA -0.362 60.996 61.300 0.098 0.000 1.100 4959 I CB 1.183 39.278 38.000 0.158 0.000 1.238 4959 I HN 0.723 nan 8.210 nan 0.000 0.445 4960 S N 4.578 120.305 115.700 0.046 0.000 3.682 4960 S HA -0.218 4.252 4.470 -0.000 0.000 0.354 4960 S C 1.407 176.025 174.600 0.031 0.000 1.034 4960 S CA 1.621 59.842 58.200 0.034 0.000 1.084 4960 S CB -1.038 62.182 63.200 0.033 0.000 0.903 4960 S HN 1.581 nan 8.310 nan 0.000 0.470 4961 G N 0.134 108.953 108.800 0.031 0.000 2.550 4961 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.233 4961 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.233 4961 G C -0.204 174.717 174.900 0.034 0.000 1.170 4961 G CA 0.367 45.484 45.100 0.028 0.000 0.693 4961 G HN 0.723 nan 8.290 nan 0.000 0.512 4962 D N 1.854 122.277 120.400 0.038 0.000 2.443 4962 D HA 0.459 5.099 4.640 -0.000 0.000 0.239 4962 D C 1.023 177.356 176.300 0.056 0.000 1.136 4962 D CA 0.873 54.897 54.000 0.040 0.000 0.879 4962 D CB 1.261 42.082 40.800 0.034 0.000 1.195 4962 D HN 0.709 nan 8.370 nan 0.000 0.443 4963 S N 1.946 117.677 115.700 0.051 0.000 2.523 4963 S HA 0.616 5.086 4.470 -0.000 0.000 0.275 4963 S C 0.023 174.665 174.600 0.069 0.000 1.281 4963 S CA -0.717 57.524 58.200 0.067 0.000 1.050 4963 S CB 0.770 64.001 63.200 0.051 0.000 0.937 4963 S HN 0.384 nan 8.310 nan 0.000 0.492 4964 M N 2.706 122.372 119.600 0.110 0.000 2.575 4964 M HA 0.501 4.981 4.480 -0.000 0.000 0.284 4964 M C -1.303 175.069 176.300 0.119 0.000 1.253 4964 M CA -0.868 54.471 55.300 0.065 0.000 0.861 4964 M CB 1.969 34.571 32.600 0.003 0.000 1.733 4964 M HN 0.432 nan 8.290 nan 0.000 0.462 4965 I N 1.677 122.256 120.570 0.014 0.000 2.412 4965 I HA 0.459 4.629 4.170 -0.000 0.000 0.296 4965 I C -1.104 174.976 176.117 -0.061 0.000 0.987 4965 I CA -0.363 60.989 61.300 0.087 0.000 1.180 4965 I CB 0.986 39.045 38.000 0.098 0.000 1.340 4965 I HN 0.530 nan 8.210 nan 0.000 0.455 4966 F N 4.769 124.747 119.950 0.046 0.000 2.426 4966 F HA 0.418 4.945 4.527 0.000 0.000 0.348 4966 F C 0.214 176.039 175.800 0.042 0.000 1.124 4966 F CA -0.767 57.255 58.000 0.036 0.000 1.008 4966 F CB 1.793 40.807 39.000 0.024 0.000 1.139 4966 F HN -0.006 nan 8.300 nan 0.000 0.452 4967 V N 3.993 123.995 119.914 0.147 0.000 2.257 4967 V HA 0.340 4.460 4.120 -0.000 0.000 0.269 4967 V C -0.485 175.668 176.094 0.098 0.000 1.040 4967 V CA -0.577 61.787 62.300 0.107 0.000 0.813 4967 V CB 0.426 32.281 31.823 0.054 0.000 1.065 4967 V HN 0.795 nan 8.190 nan 0.000 0.457 4968 E N 3.024 123.290 120.200 0.111 0.000 2.369 4968 E HA 0.716 5.066 4.350 -0.000 0.000 0.270 4968 E C -0.653 175.977 176.600 0.049 0.000 0.909 4968 E CA -0.839 55.614 56.400 0.089 0.000 0.775 4968 E CB 1.974 31.747 29.700 0.122 0.000 1.270 4968 E HN 0.198 nan 8.360 nan 0.000 0.445 4969 E N -0.763 119.453 120.200 0.027 0.000 3.169 4969 E HA -0.129 4.221 4.350 -0.000 0.000 0.305 4969 E C -0.670 175.921 176.600 -0.014 0.000 0.912 4969 E CA 0.467 56.868 56.400 0.001 0.000 1.029 4969 E CB -2.463 27.239 29.700 0.003 0.000 1.514 4969 E HN 0.632 nan 8.360 nan 0.000 0.412 4970 C N 1.261 120.556 119.300 -0.009 0.000 2.679 4970 C HA 0.049 4.508 4.460 -0.000 0.000 0.417 4970 C C 2.292 177.239 174.990 -0.071 0.000 1.302 4970 C CA 0.098 59.104 59.018 -0.021 0.000 1.973 4970 C CB 0.281 28.018 27.740 -0.005 0.000 2.715 4970 C HN 0.355 nan 8.230 nan 0.000 0.628 4971 K N 1.153 121.497 120.400 -0.093 0.000 1.969 4971 K HA -0.113 4.207 4.320 -0.000 0.000 0.223 4971 K C 0.445 176.790 176.600 -0.425 0.000 1.048 4971 K CA 1.412 57.558 56.287 -0.235 0.000 0.983 4971 K CB -0.122 32.297 32.500 -0.134 0.000 0.738 4971 K HN 0.696 nan 8.250 nan 0.000 0.446 4972 H N 0.806 119.881 119.070 0.008 0.000 2.423 4972 H HA 0.252 4.808 4.556 -0.000 0.000 0.237 4972 H C -2.368 172.962 175.328 0.004 0.000 1.391 4972 H CA -1.966 54.086 56.048 0.006 0.000 1.453 4972 H CB 0.425 30.190 29.762 0.005 0.000 1.484 4972 H HN 0.256 nan 8.280 nan 0.000 0.505 4973 P HA 0.054 nan 4.420 nan 0.000 0.268 4973 P C 0.691 178.019 177.300 0.046 0.000 1.205 4973 P CA -0.427 62.698 63.100 0.042 0.000 0.771 4973 P CB 1.742 33.454 31.700 0.020 0.000 0.858 4974 K N 0.461 120.878 120.400 0.029 0.000 2.358 4974 K HA 0.381 4.701 4.320 -0.000 0.000 0.197 4974 K C 0.443 177.047 176.600 0.007 0.000 1.025 4974 K CA -0.018 56.281 56.287 0.019 0.000 1.104 4974 K CB 0.615 33.124 32.500 0.014 0.000 0.855 4974 K HN 0.558 nan 8.250 nan 0.000 0.531 4975 A N 1.091 123.913 122.820 0.003 0.000 2.408 4975 A HA 0.563 4.883 4.320 -0.000 0.000 0.295 4975 A C -0.462 177.119 177.584 -0.004 0.000 1.040 4975 A CA -0.733 51.301 52.037 -0.006 0.000 0.707 4975 A CB 1.289 20.278 19.000 -0.019 0.000 1.235 4975 A HN -0.052 nan 8.150 nan 0.000 0.418 4976 V N -0.461 119.452 119.914 -0.002 0.000 2.960 4976 V HA 0.972 5.092 4.120 -0.000 0.000 0.315 4976 V C -0.295 175.797 176.094 -0.004 0.000 1.087 4976 V CA -0.579 61.723 62.300 0.002 0.000 0.982 4976 V CB 1.665 33.495 31.823 0.011 0.000 1.039 4976 V HN 0.804 nan 8.190 nan 0.000 0.437 4977 T N 3.734 118.288 114.554 -0.000 0.000 2.863 4977 T HA 0.568 4.918 4.350 -0.000 0.000 0.285 4977 T C -0.530 174.177 174.700 0.012 0.000 1.009 4977 T CA -0.288 61.808 62.100 -0.006 0.000 0.989 4977 T CB 1.552 70.401 68.868 -0.031 0.000 1.004 4977 T HN 0.920 nan 8.240 nan 0.000 0.455 4978 M N 4.212 123.818 119.600 0.010 0.000 2.060 4978 M HA 0.438 4.918 4.480 -0.000 0.000 0.342 4978 M C -1.114 175.200 176.300 0.023 0.000 1.031 4978 M CA -1.040 54.272 55.300 0.021 0.000 0.981 4978 M CB 0.238 32.847 32.600 0.016 0.000 1.376 4978 M HN 0.474 nan 8.290 nan 0.000 0.397 4979 L N 6.694 127.943 121.223 0.043 0.000 2.433 4979 L HA 0.400 4.740 4.340 -0.000 0.000 0.275 4979 L C -1.124 175.774 176.870 0.047 0.000 1.128 4979 L CA 0.616 55.489 54.840 0.055 0.000 0.875 4979 L CB 0.189 42.318 42.059 0.117 0.000 1.171 4979 L HN 0.601 nan 8.230 nan 0.000 0.463 4980 I N 6.091 126.682 120.570 0.035 0.000 2.359 4980 I HA 0.490 4.660 4.170 -0.000 0.000 0.294 4980 I C -0.039 176.097 176.117 0.031 0.000 0.987 4980 I CA -0.762 60.554 61.300 0.027 0.000 1.225 4980 I CB 0.901 38.913 38.000 0.019 0.000 1.366 4980 I HN 0.532 nan 8.210 nan 0.000 0.466 4981 R N 4.117 124.633 120.500 0.027 0.000 2.832 4981 R HA 0.890 5.230 4.340 -0.000 0.000 0.271 4981 R C -0.363 175.946 176.300 0.014 0.000 0.996 4981 R CA -1.081 55.033 56.100 0.024 0.000 0.977 4981 R CB 1.970 32.286 30.300 0.026 0.000 1.168 4981 R HN 0.877 nan 8.270 nan 0.000 0.482 4982 G N -0.935 107.872 108.800 0.013 0.000 2.519 4982 G HA2 0.155 4.115 3.960 -0.000 0.000 0.292 4982 G HA3 0.155 4.115 3.960 -0.000 0.000 0.292 4982 G C 0.213 175.118 174.900 0.009 0.000 1.507 4982 G CA -0.232 44.872 45.100 0.006 0.000 0.806 4982 G HN 0.444 nan 8.290 nan 0.000 0.523 4983 T N -2.233 112.323 114.554 0.004 0.000 3.155 4983 T HA 0.300 4.650 4.350 -0.000 0.000 0.264 4983 T C 0.836 175.544 174.700 0.013 0.000 1.160 4983 T CA 1.462 63.566 62.100 0.006 0.000 1.075 4983 T CB -0.090 68.778 68.868 0.001 0.000 0.921 4983 T HN 0.689 nan 8.240 nan 0.000 0.533 4984 T N 0.228 114.792 114.554 0.017 0.000 2.885 4984 T HA 0.340 4.690 4.350 -0.000 0.000 0.322 4984 T C 0.296 175.022 174.700 0.043 0.000 1.387 4984 T CA -0.657 61.463 62.100 0.032 0.000 1.041 4984 T CB 2.391 71.283 68.868 0.040 0.000 1.287 4984 T HN 0.004 nan 8.240 nan 0.000 0.491 4985 E N 0.907 121.141 120.200 0.056 0.000 2.038 4985 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 4985 E C 1.659 178.325 176.600 0.110 0.000 1.000 4985 E CA 2.031 58.469 56.400 0.064 0.000 0.803 4985 E CB -0.205 29.524 29.700 0.050 0.000 0.750 4985 E HN 0.756 nan 8.360 nan 0.000 0.448 4986 H N -0.956 118.115 119.070 0.001 0.000 2.422 4986 H HA -0.087 4.469 4.556 0.000 0.000 0.298 4986 H C 1.825 177.153 175.328 0.000 0.000 1.098 4986 H CA 1.146 57.195 56.048 0.001 0.000 1.315 4986 H CB 0.338 30.100 29.762 -0.000 0.000 1.382 4986 H HN 0.115 nan 8.280 nan 0.000 0.523 4987 V N 1.786 121.699 119.914 -0.001 0.000 2.283 4987 V HA -0.255 3.865 4.120 -0.000 0.000 0.243 4987 V C 2.625 178.699 176.094 -0.034 0.000 1.039 4987 V CA 1.806 64.058 62.300 -0.079 0.000 1.016 4987 V CB -0.426 31.369 31.823 -0.047 0.000 0.650 4987 V HN 0.553 nan 8.190 nan 0.000 0.449 4988 I N -1.154 119.420 120.570 0.005 0.000 2.493 4988 I HA -0.172 3.998 4.170 -0.000 0.000 0.254 4988 I C 2.283 178.413 176.117 0.021 0.000 1.160 4988 I CA 1.951 63.258 61.300 0.012 0.000 1.445 4988 I CB -0.554 37.458 38.000 0.021 0.000 1.086 4988 I HN 0.389 nan 8.210 nan 0.000 0.433 4989 E N 1.503 121.729 120.200 0.043 0.000 2.072 4989 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 4989 E C 2.034 178.661 176.600 0.045 0.000 0.985 4989 E CA 1.079 57.516 56.400 0.061 0.000 0.801 4989 E CB 0.098 29.868 29.700 0.117 0.000 0.750 4989 E HN 0.489 nan 8.360 nan 0.000 0.452 4990 E N 0.213 120.424 120.200 0.019 0.000 2.152 4990 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 4990 E C 2.256 178.847 176.600 -0.014 0.000 0.983 4990 E CA 0.650 57.042 56.400 -0.013 0.000 0.818 4990 E CB 0.012 29.655 29.700 -0.094 0.000 0.758 4990 E HN 0.205 nan 8.360 nan 0.000 0.467 4991 V N 1.643 121.547 119.914 -0.016 0.000 2.407 4991 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 4991 V C 2.447 178.542 176.094 0.002 0.000 1.055 4991 V CA 1.706 64.001 62.300 -0.009 0.000 1.049 4991 V CB -0.800 31.019 31.823 -0.008 0.000 0.662 4991 V HN 0.226 nan 8.190 nan 0.000 0.455 4992 A N 0.105 122.930 122.820 0.008 0.000 1.877 4992 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 4992 A C 2.417 180.009 177.584 0.012 0.000 1.186 4992 A CA 2.048 54.092 52.037 0.011 0.000 0.620 4992 A CB -0.578 18.431 19.000 0.015 0.000 0.822 4992 A HN 0.479 nan 8.150 nan 0.000 0.443 4993 R N -0.359 120.150 120.500 0.015 0.000 2.091 4993 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 4993 R C 2.278 178.586 176.300 0.014 0.000 1.136 4993 R CA 1.478 57.587 56.100 0.016 0.000 0.959 4993 R CB -0.418 29.895 30.300 0.022 0.000 0.856 4993 R HN 0.442 nan 8.270 nan 0.000 0.437 4994 A N 0.166 122.992 122.820 0.010 0.000 1.908 4994 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 4994 A C 2.227 179.818 177.584 0.012 0.000 1.181 4994 A CA 1.667 53.711 52.037 0.011 0.000 0.627 4994 A CB -0.446 18.556 19.000 0.004 0.000 0.818 4994 A HN 0.243 nan 8.150 nan 0.000 0.445 4995 V N 0.418 120.338 119.914 0.010 0.000 2.453 4995 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 4995 V C 2.042 178.142 176.094 0.010 0.000 1.048 4995 V CA 2.017 64.323 62.300 0.010 0.000 1.049 4995 V CB -0.792 31.036 31.823 0.009 0.000 0.672 4995 V HN 0.465 nan 8.190 nan 0.000 0.457 4996 D N 0.321 120.727 120.400 0.010 0.000 2.149 4996 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 4996 D C 1.852 178.158 176.300 0.011 0.000 0.990 4996 D CA 1.425 55.431 54.000 0.010 0.000 0.839 4996 D CB -0.219 40.587 40.800 0.010 0.000 0.948 4996 D HN 0.427 nan 8.370 nan 0.000 0.460 4997 D N 0.059 120.467 120.400 0.013 0.000 2.120 4997 D HA -0.006 4.634 4.640 -0.000 0.000 0.202 4997 D C 2.070 178.378 176.300 0.013 0.000 0.972 4997 D CA 1.164 55.172 54.000 0.014 0.000 0.837 4997 D CB -0.362 40.449 40.800 0.018 0.000 0.989 4997 D HN 0.114 nan 8.370 nan 0.000 0.469 4998 A N 0.766 123.594 122.820 0.014 0.000 1.908 4998 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 4998 A C 2.508 180.099 177.584 0.012 0.000 1.181 4998 A CA 1.339 53.385 52.037 0.014 0.000 0.627 4998 A CB -0.847 18.162 19.000 0.014 0.000 0.818 4998 A HN 0.141 nan 8.150 nan 0.000 0.445 4999 V N -0.074 119.846 119.914 0.010 0.000 2.343 4999 V HA -0.200 3.920 4.120 -0.000 0.000 0.247 4999 V C 2.795 178.893 176.094 0.008 0.000 1.051 4999 V CA 1.970 64.275 62.300 0.009 0.000 1.036 4999 V CB -1.435 30.392 31.823 0.008 0.000 0.654 4999 V HN 0.634 nan 8.190 nan 0.000 0.451 5000 G N -0.247 108.558 108.800 0.008 0.000 2.433 5000 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.216 5000 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.216 5000 G C 1.635 176.540 174.900 0.007 0.000 1.186 5000 G CA 1.314 46.419 45.100 0.007 0.000 0.779 5000 G HN 0.405 nan 8.290 nan 0.000 0.543 5001 V N 0.341 120.260 119.914 0.008 0.000 2.548 5001 V HA -0.094 4.026 4.120 -0.000 0.000 0.249 5001 V C 2.968 179.066 176.094 0.008 0.000 1.055 5001 V CA 1.077 63.381 62.300 0.008 0.000 1.065 5001 V CB -0.022 31.806 31.823 0.009 0.000 0.681 5001 V HN 0.227 nan 8.190 nan 0.000 0.462 5002 V N 1.168 121.087 119.914 0.008 0.000 2.427 5002 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 5002 V C 2.603 178.701 176.094 0.007 0.000 1.051 5002 V CA 2.128 64.433 62.300 0.008 0.000 1.048 5002 V CB -1.220 30.609 31.823 0.009 0.000 0.666 5002 V HN 0.603 nan 8.190 nan 0.000 0.456 5003 G N -1.366 107.438 108.800 0.006 0.000 2.402 5003 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 5003 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 5003 G C 1.758 176.661 174.900 0.005 0.000 1.162 5003 G CA 1.216 46.319 45.100 0.005 0.000 0.777 5003 G HN 0.518 nan 8.290 nan 0.000 0.539 5004 C N 0.482 119.785 119.300 0.005 0.000 2.413 5004 C HA -0.031 4.429 4.460 -0.000 0.000 0.276 5004 C C 3.232 178.225 174.990 0.005 0.000 1.248 5004 C CA 1.623 60.644 59.018 0.005 0.000 1.742 5004 C CB -0.932 26.811 27.740 0.005 0.000 2.017 5004 C HN 0.424 nan 8.230 nan 0.000 0.481 5005 T N 0.537 115.094 114.554 0.005 0.000 2.951 5005 T HA -0.031 4.319 4.350 -0.000 0.000 0.268 5005 T C 1.517 176.220 174.700 0.005 0.000 1.073 5005 T CA 0.906 63.010 62.100 0.005 0.000 1.134 5005 T CB -0.185 68.686 68.868 0.006 0.000 0.884 5005 T HN 0.327 nan 8.240 nan 0.000 0.479 5006 I N 1.154 121.727 120.570 0.005 0.000 2.439 5006 I HA -0.007 4.163 4.170 -0.000 0.000 0.251 5006 I C 2.248 178.367 176.117 0.003 0.000 1.139 5006 I CA 1.227 62.529 61.300 0.004 0.000 1.438 5006 I CB -0.191 37.812 38.000 0.004 0.000 1.085 5006 I HN 0.257 nan 8.210 nan 0.000 0.427 5007 E N -0.739 119.463 120.200 0.003 0.000 2.140 5007 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 5007 E C 0.206 176.808 176.600 0.003 0.000 0.973 5007 E CA 0.495 56.897 56.400 0.003 0.000 0.829 5007 E CB 0.255 29.956 29.700 0.003 0.000 0.781 5007 E HN 0.226 nan 8.360 nan 0.000 0.466 5008 D N -0.485 119.917 120.400 0.004 0.000 2.446 5008 D HA 0.156 4.796 4.640 -0.000 0.000 0.251 5008 D C 0.282 176.585 176.300 0.005 0.000 1.137 5008 D CA -0.392 53.611 54.000 0.004 0.000 0.890 5008 D CB 1.135 41.938 40.800 0.005 0.000 1.071 5008 D HN 0.045 nan 8.370 nan 0.000 0.528 5009 G N 3.106 111.909 108.800 0.005 0.000 3.194 5009 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.208 5009 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.208 5009 G C 0.502 175.405 174.900 0.006 0.000 1.240 5009 G CA 0.065 45.168 45.100 0.005 0.000 1.044 5009 G HN 0.246 nan 8.290 nan 0.000 0.495 5010 R N -0.388 120.115 120.500 0.006 0.000 2.637 5010 R HA 0.697 5.037 4.340 -0.000 0.000 0.291 5010 R C 0.102 176.406 176.300 0.007 0.000 0.963 5010 R CA -0.638 55.466 56.100 0.007 0.000 0.901 5010 R CB 1.697 32.002 30.300 0.008 0.000 1.160 5010 R HN 0.323 nan 8.270 nan 0.000 0.457 5011 I N -1.875 118.700 120.570 0.007 0.000 3.145 5011 I HA 0.861 5.031 4.170 -0.000 0.000 0.313 5011 I C -1.137 174.984 176.117 0.008 0.000 1.122 5011 I CA -1.317 59.987 61.300 0.007 0.000 0.987 5011 I CB 2.476 40.480 38.000 0.006 0.000 1.236 5011 I HN 0.325 nan 8.210 nan 0.000 0.453 5012 V N 1.531 121.449 119.914 0.006 0.000 3.077 5012 V HA 0.429 4.549 4.120 -0.000 0.000 0.299 5012 V C -0.341 175.754 176.094 0.003 0.000 1.276 5012 V CA -0.269 62.035 62.300 0.007 0.000 0.993 5012 V CB 2.604 34.431 31.823 0.006 0.000 1.076 5012 V HN 0.993 nan 8.190 nan 0.000 0.434 5013 S N 3.485 119.190 115.700 0.008 0.000 2.560 5013 S HA 0.503 4.973 4.470 -0.000 0.000 0.284 5013 S C 0.570 175.160 174.600 -0.017 0.000 1.327 5013 S CA 0.378 58.579 58.200 0.002 0.000 1.055 5013 S CB 1.238 64.450 63.200 0.021 0.000 0.868 5013 S HN 1.229 nan 8.310 nan 0.000 0.506 5014 G N 0.625 109.408 108.800 -0.028 0.000 2.945 5014 G HA2 0.522 4.482 3.960 -0.000 0.000 0.156 5014 G HA3 0.522 4.482 3.960 -0.000 0.000 0.156 5014 G C 0.890 175.756 174.900 -0.057 0.000 1.375 5014 G CA -0.197 44.877 45.100 -0.044 0.000 1.039 5014 G HN 1.526 nan 8.290 nan 0.000 0.586 5015 G N -1.500 107.258 108.800 -0.069 0.000 2.258 5015 G HA2 0.247 4.207 3.960 -0.000 0.000 0.274 5015 G HA3 0.247 4.207 3.960 -0.000 0.000 0.274 5015 G C 1.413 176.266 174.900 -0.079 0.000 1.021 5015 G CA 1.253 46.307 45.100 -0.077 0.000 0.798 5015 G HN 2.421 nan 8.290 nan 0.000 0.507 5016 G N -1.460 107.293 108.800 -0.078 0.000 2.160 5016 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.251 5016 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.251 5016 G C 1.331 176.163 174.900 -0.113 0.000 1.008 5016 G CA 1.577 46.625 45.100 -0.087 0.000 0.724 5016 G HN 1.903 nan 8.290 nan 0.000 0.514 5017 S N -0.347 115.282 115.700 -0.118 0.000 2.383 5017 S HA -0.136 4.334 4.470 -0.000 0.000 0.227 5017 S C 2.821 177.334 174.600 -0.145 0.000 1.026 5017 S CA 2.562 60.655 58.200 -0.178 0.000 0.981 5017 S CB -0.456 62.673 63.200 -0.118 0.000 0.818 5017 S HN 1.285 nan 8.310 nan 0.000 0.472 5018 T N 0.205 114.711 114.554 -0.080 0.000 2.622 5018 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 5018 T C 1.581 176.249 174.700 -0.054 0.000 1.047 5018 T CA 1.644 63.715 62.100 -0.048 0.000 1.159 5018 T CB -0.979 67.874 68.868 -0.026 0.000 0.863 5018 T HN 0.386 nan 8.240 nan 0.000 0.422 5019 E N 0.840 121.002 120.200 -0.064 0.000 2.171 5019 E HA -0.057 4.293 4.350 -0.000 0.000 0.197 5019 E C 2.261 178.815 176.600 -0.077 0.000 0.997 5019 E CA 0.827 57.187 56.400 -0.066 0.000 0.810 5019 E CB -0.660 28.989 29.700 -0.084 0.000 0.738 5019 E HN 0.414 nan 8.360 nan 0.000 0.467 5020 V N 0.898 120.745 119.914 -0.113 0.000 2.379 5020 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 5020 V C 2.118 178.151 176.094 -0.102 0.000 1.044 5020 V CA 1.471 63.693 62.300 -0.130 0.000 1.036 5020 V CB -0.316 31.376 31.823 -0.219 0.000 0.664 5020 V HN 0.220 nan 8.190 nan 0.000 0.453 5021 E N 0.054 120.195 120.200 -0.098 0.000 2.051 5021 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 5021 E C 2.193 178.775 176.600 -0.029 0.000 0.991 5021 E CA 1.181 57.562 56.400 -0.033 0.000 0.799 5021 E CB -0.307 29.393 29.700 -0.000 0.000 0.748 5021 E HN 0.338 nan 8.360 nan 0.000 0.449 5022 L N 0.944 122.156 121.223 -0.018 0.000 2.046 5022 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 5022 L C 2.576 179.442 176.870 -0.007 0.000 1.077 5022 L CA 1.465 56.311 54.840 0.010 0.000 0.747 5022 L CB -1.244 40.846 42.059 0.052 0.000 0.896 5022 L HN 0.041 nan 8.230 nan 0.000 0.432 5023 S N -1.246 114.442 115.700 -0.020 0.000 2.368 5023 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 5023 S C 2.049 176.619 174.600 -0.050 0.000 1.030 5023 S CA 1.632 59.818 58.200 -0.023 0.000 0.999 5023 S CB -0.177 63.000 63.200 -0.038 0.000 0.844 5023 S HN 0.330 nan 8.310 nan 0.000 0.459 5024 M N 1.305 120.865 119.600 -0.066 0.000 2.066 5024 M HA 0.034 4.514 4.480 -0.000 0.000 0.259 5024 M C 1.787 177.985 176.300 -0.171 0.000 1.074 5024 M CA 1.887 57.137 55.300 -0.083 0.000 1.114 5024 M CB -0.527 32.042 32.600 -0.051 0.000 1.306 5024 M HN 0.041 nan 8.290 nan 0.000 0.411 5025 K N 0.085 120.340 120.400 -0.241 0.000 2.097 5025 K HA -0.011 4.309 4.320 -0.000 0.000 0.206 5025 K C 1.892 177.939 176.600 -0.922 0.000 1.049 5025 K CA 1.447 57.393 56.287 -0.569 0.000 0.933 5025 K CB -0.776 31.455 32.500 -0.448 0.000 0.717 5025 K HN 0.397 nan 8.250 nan 0.000 0.442 5026 L N 0.353 121.336 121.223 -0.400 0.000 2.131 5026 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 5026 L C 2.594 179.416 176.870 -0.079 0.000 1.092 5026 L CA 0.920 55.672 54.840 -0.146 0.000 0.759 5026 L CB -0.291 41.797 42.059 0.047 0.000 0.903 5026 L HN 0.179 nan 8.230 nan 0.000 0.435 5027 R N 0.753 121.192 120.500 -0.102 0.000 2.092 5027 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 5027 R C 1.864 178.141 176.300 -0.040 0.000 1.119 5027 R CA 1.543 57.618 56.100 -0.041 0.000 0.970 5027 R CB -0.054 30.224 30.300 -0.036 0.000 0.864 5027 R HN 0.485 nan 8.270 nan 0.000 0.440 5028 E N -0.788 119.341 120.200 -0.119 0.000 2.072 5028 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 5028 E C 1.885 178.545 176.600 0.100 0.000 0.982 5028 E CA 0.939 57.310 56.400 -0.048 0.000 0.803 5028 E CB -0.178 29.459 29.700 -0.105 0.000 0.755 5028 E HN 0.317 nan 8.360 nan 0.000 0.453 5029 Y N 0.806 121.116 120.300 0.016 0.000 2.207 5029 Y HA -0.166 4.384 4.550 -0.000 0.000 0.287 5029 Y C 2.397 178.304 175.900 0.011 0.000 1.156 5029 Y CA 0.645 58.751 58.100 0.010 0.000 1.182 5029 Y CB -1.251 37.212 38.460 0.006 0.000 0.979 5029 Y HN 0.041 nan 8.280 nan 0.000 0.521 5030 A N 0.328 123.249 122.820 0.168 0.000 1.883 5030 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 5030 A C 2.203 179.833 177.584 0.077 0.000 1.186 5030 A CA 1.851 53.949 52.037 0.102 0.000 0.624 5030 A CB -0.486 18.561 19.000 0.078 0.000 0.822 5030 A HN 0.343 nan 8.150 nan 0.000 0.444 5031 E N -0.535 119.708 120.200 0.070 0.000 2.150 5031 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 5031 E C 2.156 178.789 176.600 0.055 0.000 0.985 5031 E CA 1.081 57.513 56.400 0.053 0.000 0.814 5031 E CB -0.651 29.074 29.700 0.043 0.000 0.752 5031 E HN 0.603 nan 8.360 nan 0.000 0.466 5032 G N 1.152 109.997 108.800 0.076 0.000 2.402 5032 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 5032 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 5032 G C 1.739 176.663 174.900 0.039 0.000 1.162 5032 G CA 0.404 45.540 45.100 0.061 0.000 0.777 5032 G HN 0.179 nan 8.290 nan 0.000 0.539 5033 I N -0.144 120.453 120.570 0.044 0.000 2.286 5033 I HA 0.010 4.180 4.170 -0.000 0.000 0.245 5033 I C 1.749 177.880 176.117 0.023 0.000 1.104 5033 I CA 0.623 61.939 61.300 0.026 0.000 1.397 5033 I CB -0.276 37.741 38.000 0.029 0.000 1.072 5033 I HN 0.319 nan 8.210 nan 0.000 0.417 5034 S N -0.721 114.997 115.700 0.030 0.000 3.307 5034 S HA -0.152 4.318 4.470 -0.000 0.000 0.634 5034 S C 0.591 175.203 174.600 0.020 0.000 2.711 5034 S CA 0.945 59.160 58.200 0.025 0.000 2.940 5034 S CB -1.372 61.839 63.200 0.019 0.000 0.331 5034 S HN 1.370 nan 8.310 nan 0.000 1.766 5035 G N 0.622 109.432 108.800 0.016 0.000 2.569 5035 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.259 5035 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.259 5035 G C 0.149 175.058 174.900 0.016 0.000 1.263 5035 G CA 1.165 46.273 45.100 0.013 0.000 0.928 5035 G HN 1.160 nan 8.290 nan 0.000 0.572 5036 R N 0.299 120.807 120.500 0.013 0.000 2.153 5036 R HA 0.195 4.535 4.340 -0.000 0.000 0.218 5036 R C 2.596 178.905 176.300 0.016 0.000 1.072 5036 R CA 1.800 57.909 56.100 0.015 0.000 0.990 5036 R CB -0.363 29.946 30.300 0.014 0.000 0.889 5036 R HN 0.706 nan 8.270 nan 0.000 0.452 5037 E N 0.470 120.677 120.200 0.012 0.000 2.160 5037 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 5037 E C 1.809 178.428 176.600 0.032 0.000 0.991 5037 E CA 1.454 57.861 56.400 0.012 0.000 0.810 5037 E CB -0.010 29.693 29.700 0.004 0.000 0.742 5037 E HN 0.534 nan 8.360 nan 0.000 0.466 5038 Q N 0.444 120.266 119.800 0.036 0.000 2.170 5038 Q HA -0.187 4.153 4.340 -0.000 0.000 0.203 5038 Q C 1.976 178.014 176.000 0.063 0.000 0.976 5038 Q CA 1.048 56.882 55.803 0.052 0.000 0.858 5038 Q CB -0.172 28.593 28.738 0.045 0.000 0.907 5038 Q HN 0.166 nan 8.270 nan 0.000 0.433 5039 L N 1.165 122.419 121.223 0.052 0.000 2.093 5039 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 5039 L C 2.559 179.482 176.870 0.089 0.000 1.085 5039 L CA 1.897 56.773 54.840 0.060 0.000 0.755 5039 L CB -1.076 41.007 42.059 0.039 0.000 0.904 5039 L HN 0.410 nan 8.230 nan 0.000 0.435 5040 A N -1.243 121.621 122.820 0.074 0.000 1.898 5040 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 5040 A C 2.331 180.076 177.584 0.268 0.000 1.181 5040 A CA 1.678 53.770 52.037 0.092 0.000 0.620 5040 A CB -0.802 18.186 19.000 -0.020 0.000 0.819 5040 A HN 0.192 nan 8.150 nan 0.000 0.442 5041 V N -0.124 119.901 119.914 0.186 0.000 2.515 5041 V HA -0.187 3.933 4.120 -0.000 0.000 0.250 5041 V C 2.575 178.799 176.094 0.217 0.000 1.058 5041 V CA 2.043 64.462 62.300 0.198 0.000 1.064 5041 V CB -0.795 31.098 31.823 0.117 0.000 0.675 5041 V HN 0.607 nan 8.190 nan 0.000 0.461 5042 R N 0.227 120.827 120.500 0.167 0.000 2.075 5042 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 5042 R C 2.289 178.678 176.300 0.148 0.000 1.126 5042 R CA 1.498 57.675 56.100 0.128 0.000 0.963 5042 R CB -0.344 30.009 30.300 0.087 0.000 0.858 5042 R HN 0.490 nan 8.270 nan 0.000 0.435 5043 A N 0.003 122.951 122.820 0.212 0.000 1.969 5043 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 5043 A C 1.906 179.596 177.584 0.178 0.000 1.169 5043 A CA 0.892 53.062 52.037 0.223 0.000 0.635 5043 A CB -0.624 18.566 19.000 0.317 0.000 0.810 5043 A HN 0.483 nan 8.150 nan 0.000 0.445 5044 F N 0.883 120.879 119.950 0.077 0.000 2.134 5044 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 5044 F C 2.518 178.248 175.800 -0.118 0.000 1.097 5044 F CA 1.284 59.160 58.000 -0.206 0.000 1.264 5044 F CB -0.228 38.684 39.000 -0.148 0.000 1.001 5044 F HN 0.249 nan 8.300 nan 0.000 0.479 5045 A N -0.271 122.646 122.820 0.162 0.000 1.933 5045 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 5045 A C 1.876 179.438 177.584 -0.037 0.000 1.175 5045 A CA 1.965 54.041 52.037 0.065 0.000 0.628 5045 A CB -0.863 18.187 19.000 0.083 0.000 0.814 5045 A HN 0.413 nan 8.150 nan 0.000 0.444 5046 D N -0.104 120.280 120.400 -0.026 0.000 2.224 5046 D HA 0.057 4.697 4.640 -0.000 0.000 0.205 5046 D C 2.118 178.359 176.300 -0.098 0.000 0.965 5046 D CA 1.227 55.200 54.000 -0.044 0.000 0.852 5046 D CB -0.284 40.512 40.800 -0.007 0.000 0.947 5046 D HN 0.421 nan 8.370 nan 0.000 0.494 5047 A N 0.535 123.253 122.820 -0.170 0.000 1.969 5047 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 5047 A C 2.243 179.663 177.584 -0.274 0.000 1.169 5047 A CA 0.549 52.440 52.037 -0.244 0.000 0.635 5047 A CB -0.630 18.136 19.000 -0.389 0.000 0.810 5047 A HN 0.204 nan 8.150 nan 0.000 0.445 5048 L N -0.574 120.466 121.223 -0.305 0.000 2.265 5048 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 5048 L C 2.411 179.187 176.870 -0.157 0.000 1.117 5048 L CA 1.485 56.175 54.840 -0.251 0.000 0.782 5048 L CB -0.419 41.516 42.059 -0.207 0.000 0.914 5048 L HN 0.564 nan 8.230 nan 0.000 0.441 5049 E N 0.001 120.124 120.200 -0.128 0.000 2.409 5049 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 5049 E C 2.202 178.751 176.600 -0.086 0.000 1.024 5049 E CA 0.503 56.847 56.400 -0.094 0.000 0.861 5049 E CB 0.175 29.831 29.700 -0.074 0.000 0.788 5049 E HN 0.307 nan 8.360 nan 0.000 0.521 5050 V N 0.870 120.725 119.914 -0.098 0.000 2.469 5050 V HA -0.246 3.874 4.120 -0.000 0.000 0.251 5050 V C 1.920 177.969 176.094 -0.075 0.000 1.064 5050 V CA 1.224 63.475 62.300 -0.082 0.000 1.066 5050 V CB -0.296 31.473 31.823 -0.090 0.000 0.667 5050 V HN 0.324 nan 8.190 nan 0.000 0.461 5051 I N 0.637 121.157 120.570 -0.084 0.000 2.113 5051 I HA -0.093 4.077 4.170 -0.000 0.000 0.238 5051 I C 0.308 176.386 176.117 -0.066 0.000 1.070 5051 I CA 1.827 63.083 61.300 -0.074 0.000 1.332 5051 I CB -3.030 34.923 38.000 -0.080 0.000 1.044 5051 I HN 0.336 nan 8.210 nan 0.000 0.402 5052 P HA -0.136 nan 4.420 nan 0.000 0.216 5052 P C 1.726 178.995 177.300 -0.052 0.000 1.153 5052 P CA 1.395 64.457 63.100 -0.062 0.000 0.858 5052 P CB -0.120 31.540 31.700 -0.066 0.000 0.789 5053 R N -0.637 119.833 120.500 -0.051 0.000 2.091 5053 R HA -0.075 4.265 4.340 -0.000 0.000 0.238 5053 R C 2.150 178.428 176.300 -0.038 0.000 1.136 5053 R CA 2.208 58.282 56.100 -0.043 0.000 0.959 5053 R CB -2.033 28.241 30.300 -0.044 0.000 0.856 5053 R HN 0.356 nan 8.270 nan 0.000 0.437 5054 T N -1.903 112.626 114.554 -0.041 0.000 3.057 5054 T HA 0.067 4.417 4.350 -0.000 0.000 0.254 5054 T C 1.904 176.584 174.700 -0.033 0.000 1.094 5054 T CA -0.047 62.032 62.100 -0.035 0.000 1.088 5054 T CB -0.015 68.832 68.868 -0.036 0.000 0.934 5054 T HN -0.103 nan 8.240 nan 0.000 0.497 5055 L N 1.812 123.010 121.223 -0.040 0.000 2.027 5055 L HA 0.298 4.638 4.340 -0.000 0.000 0.206 5055 L C 2.934 179.782 176.870 -0.037 0.000 1.074 5055 L CA 1.767 56.581 54.840 -0.043 0.000 0.745 5055 L CB -1.168 40.858 42.059 -0.054 0.000 0.898 5055 L HN 0.429 nan 8.230 nan 0.000 0.433 5056 A N -1.641 121.158 122.820 -0.035 0.000 2.021 5056 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 5056 A C 2.278 179.851 177.584 -0.018 0.000 1.163 5056 A CA 1.056 53.077 52.037 -0.026 0.000 0.676 5056 A CB -0.388 18.596 19.000 -0.027 0.000 0.818 5056 A HN 0.465 nan 8.150 nan 0.000 0.453 5057 E N 0.339 120.527 120.200 -0.020 0.000 2.028 5057 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 5057 E C 1.483 178.077 176.600 -0.010 0.000 0.988 5057 E CA 1.337 57.728 56.400 -0.015 0.000 0.799 5057 E CB -0.137 29.552 29.700 -0.018 0.000 0.755 5057 E HN 0.512 nan 8.360 nan 0.000 0.447 5058 N N 0.301 118.995 118.700 -0.011 0.000 2.309 5058 N HA -0.107 4.632 4.740 -0.000 0.000 0.182 5058 N C 1.395 176.907 175.510 0.003 0.000 1.018 5058 N CA 1.121 54.168 53.050 -0.005 0.000 0.876 5058 N CB -0.215 38.267 38.487 -0.008 0.000 0.972 5058 N HN 0.233 nan 8.380 nan 0.000 0.434 5059 A N -0.127 122.693 122.820 0.000 0.000 2.067 5059 A HA 0.320 4.640 4.320 -0.000 0.000 0.217 5059 A C 1.512 179.105 177.584 0.015 0.000 1.156 5059 A CA 1.107 53.150 52.037 0.011 0.000 0.683 5059 A CB -0.369 18.631 19.000 0.000 0.000 0.808 5059 A HN 0.312 nan 8.150 nan 0.000 0.455 5060 G N -1.327 107.477 108.800 0.006 0.000 2.137 5060 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.237 5060 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.237 5060 G C -0.025 174.878 174.900 0.005 0.000 1.002 5060 G CA 0.285 45.389 45.100 0.006 0.000 0.702 5060 G HN 0.432 nan 8.290 nan 0.000 0.515 5061 L N 0.135 121.358 121.223 0.001 0.000 2.399 5061 L HA 0.445 4.785 4.340 -0.000 0.000 0.265 5061 L C 0.547 177.414 176.870 -0.006 0.000 1.089 5061 L CA -1.011 53.828 54.840 -0.002 0.000 0.802 5061 L CB 0.844 42.900 42.059 -0.005 0.000 1.180 5061 L HN 0.095 nan 8.230 nan 0.000 0.454 5062 D N 1.186 121.583 120.400 -0.005 0.000 2.346 5062 D HA 0.077 4.717 4.640 -0.000 0.000 0.267 5062 D C 0.754 177.047 176.300 -0.012 0.000 1.320 5062 D CA 0.170 54.166 54.000 -0.007 0.000 0.951 5062 D CB 1.602 42.399 40.800 -0.005 0.000 1.079 5062 D HN 0.638 nan 8.370 nan 0.000 0.509 5063 A N 4.923 127.734 122.820 -0.014 0.000 1.908 5063 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 5063 A C 2.300 179.873 177.584 -0.020 0.000 1.181 5063 A CA 1.020 53.045 52.037 -0.020 0.000 0.627 5063 A CB -0.352 18.636 19.000 -0.021 0.000 0.818 5063 A HN 0.754 nan 8.150 nan 0.000 0.445 5064 I N -1.068 119.493 120.570 -0.016 0.000 2.142 5064 I HA -0.222 3.948 4.170 -0.000 0.000 0.240 5064 I C 2.607 178.716 176.117 -0.013 0.000 1.078 5064 I CA 1.860 63.151 61.300 -0.015 0.000 1.343 5064 I CB -0.329 37.664 38.000 -0.012 0.000 1.046 5064 I HN 0.367 nan 8.210 nan 0.000 0.405 5065 E N 1.226 121.419 120.200 -0.011 0.000 2.072 5065 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 5065 E C 2.131 178.726 176.600 -0.009 0.000 0.985 5065 E CA 1.222 57.617 56.400 -0.008 0.000 0.801 5065 E CB -0.020 29.677 29.700 -0.006 0.000 0.750 5065 E HN 0.238 nan 8.360 nan 0.000 0.452 5066 I N 0.371 120.934 120.570 -0.012 0.000 2.127 5066 I HA -0.248 3.922 4.170 -0.000 0.000 0.241 5066 I C 2.080 178.186 176.117 -0.017 0.000 1.075 5066 I CA 0.947 62.239 61.300 -0.014 0.000 1.334 5066 I CB -1.091 36.898 38.000 -0.018 0.000 1.040 5066 I HN 0.226 nan 8.210 nan 0.000 0.405 5067 L N 0.149 121.359 121.223 -0.022 0.000 2.042 5067 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 5067 L C 2.623 179.481 176.870 -0.019 0.000 1.076 5067 L CA 1.384 56.208 54.840 -0.027 0.000 0.749 5067 L CB -1.206 40.834 42.059 -0.031 0.000 0.893 5067 L HN 0.018 nan 8.230 nan 0.000 0.432 5068 V N -0.828 119.078 119.914 -0.013 0.000 2.358 5068 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 5068 V C 2.601 178.694 176.094 -0.001 0.000 1.047 5068 V CA 1.347 63.643 62.300 -0.007 0.000 1.035 5068 V CB -0.520 31.299 31.823 -0.006 0.000 0.658 5068 V HN 0.380 nan 8.190 nan 0.000 0.452 5069 K N -0.070 120.329 120.400 -0.001 0.000 2.057 5069 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 5069 K C 2.142 178.748 176.600 0.010 0.000 1.050 5069 K CA 1.053 57.343 56.287 0.004 0.000 0.935 5069 K CB -0.715 31.786 32.500 0.001 0.000 0.715 5069 K HN 0.383 nan 8.250 nan 0.000 0.439 5070 V N 1.535 121.452 119.914 0.005 0.000 2.261 5070 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 5070 V C 2.496 178.611 176.094 0.035 0.000 1.047 5070 V CA 1.661 63.968 62.300 0.011 0.000 1.015 5070 V CB -0.429 31.386 31.823 -0.014 0.000 0.642 5070 V HN 0.299 nan 8.190 nan 0.000 0.446 5071 R N 0.042 120.549 120.500 0.013 0.000 2.091 5071 R HA -0.175 4.165 4.340 -0.000 0.000 0.238 5071 R C 2.414 178.757 176.300 0.071 0.000 1.136 5071 R CA 1.579 57.697 56.100 0.029 0.000 0.959 5071 R CB -0.659 29.639 30.300 -0.003 0.000 0.856 5071 R HN 0.558 nan 8.270 nan 0.000 0.437 5072 A N 1.254 124.099 122.820 0.041 0.000 1.858 5072 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 5072 A C 2.406 180.013 177.584 0.038 0.000 1.190 5072 A CA 1.726 53.783 52.037 0.033 0.000 0.617 5072 A CB -0.803 18.207 19.000 0.017 0.000 0.827 5072 A HN 0.405 nan 8.150 nan 0.000 0.443 5073 A N -1.209 121.635 122.820 0.041 0.000 1.908 5073 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 5073 A C 2.155 179.766 177.584 0.046 0.000 1.181 5073 A CA 1.870 53.928 52.037 0.035 0.000 0.627 5073 A CB -0.993 18.026 19.000 0.032 0.000 0.818 5073 A HN 0.791 nan 8.150 nan 0.000 0.445 5074 H N 0.023 119.085 119.070 -0.013 0.000 2.353 5074 H HA -0.046 4.510 4.556 0.000 0.000 0.300 5074 H C 2.207 177.528 175.328 -0.012 0.000 1.090 5074 H CA 1.664 57.704 56.048 -0.013 0.000 1.327 5074 H CB -0.215 29.538 29.762 -0.016 0.000 1.383 5074 H HN 0.397 nan 8.280 nan 0.000 0.508 5075 A N -0.083 122.747 122.820 0.017 0.000 2.019 5075 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 5075 A C 2.700 180.239 177.584 -0.075 0.000 1.164 5075 A CA 1.800 53.818 52.037 -0.033 0.000 0.644 5075 A CB -0.624 18.396 19.000 0.034 0.000 0.805 5075 A HN 0.512 nan 8.150 nan 0.000 0.449 5076 S N -0.557 115.108 115.700 -0.058 0.000 2.370 5076 S HA -0.054 4.416 4.470 -0.000 0.000 0.214 5076 S C 1.791 176.350 174.600 -0.068 0.000 1.033 5076 S CA 0.787 58.958 58.200 -0.049 0.000 0.941 5076 S CB -0.354 62.832 63.200 -0.024 0.000 0.886 5076 S HN 0.568 nan 8.310 nan 0.000 0.521 5077 N N 1.311 119.971 118.700 -0.067 0.000 2.396 5077 N HA 0.213 4.953 4.740 -0.000 0.000 0.180 5077 N C 1.070 176.520 175.510 -0.099 0.000 1.028 5077 N CA 1.011 54.023 53.050 -0.063 0.000 0.893 5077 N CB -0.018 38.448 38.487 -0.035 0.000 0.967 5077 N HN 0.634 nan 8.380 nan 0.000 0.440 5078 G N 0.340 109.024 108.800 -0.193 0.000 2.378 5078 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.198 5078 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.198 5078 G C 0.050 174.728 174.900 -0.370 0.000 1.223 5078 G CA -0.035 44.910 45.100 -0.259 0.000 1.088 5078 G HN 0.263 nan 8.290 nan 0.000 0.530 5079 N N 0.430 119.026 118.700 -0.174 0.000 2.415 5079 N HA 0.138 4.878 4.740 -0.000 0.000 0.174 5079 N C 1.618 177.168 175.510 0.067 0.000 1.048 5079 N CA 1.167 54.224 53.050 0.011 0.000 0.895 5079 N CB 0.140 38.660 38.487 0.055 0.000 1.036 5079 N HN 0.609 nan 8.380 nan 0.000 0.449 5080 K N -0.652 119.757 120.400 0.015 0.000 2.399 5080 K HA 0.378 4.698 4.320 -0.000 0.000 0.204 5080 K C -0.539 176.069 176.600 0.013 0.000 1.023 5080 K CA 0.010 56.309 56.287 0.019 0.000 1.127 5080 K CB 0.333 32.838 32.500 0.008 0.000 0.856 5080 K HN 0.016 nan 8.250 nan 0.000 0.514 5081 C N 1.295 120.601 119.300 0.011 0.000 3.401 5081 C HA 0.706 5.166 4.460 -0.000 0.000 0.204 5081 C C 0.405 175.411 174.990 0.026 0.000 1.522 5081 C CA -0.507 58.515 59.018 0.007 0.000 1.409 5081 C CB -0.542 27.189 27.740 -0.015 0.000 1.967 5081 C HN 0.662 nan 8.230 nan 0.000 0.496 5082 A N 0.477 123.326 122.820 0.050 0.000 3.169 5082 A HA 0.930 5.250 4.320 -0.000 0.000 0.146 5082 A C 0.531 178.136 177.584 0.034 0.000 1.265 5082 A CA 0.558 52.637 52.037 0.069 0.000 2.339 5082 A CB -0.750 18.346 19.000 0.160 0.000 2.810 5082 A HN 1.986 nan 8.150 nan 0.000 1.169 5083 G N -1.368 107.450 108.800 0.031 0.000 2.960 5083 G HA2 0.229 4.189 3.960 -0.000 0.000 0.267 5083 G HA3 0.229 4.189 3.960 -0.000 0.000 0.267 5083 G C -0.321 174.563 174.900 -0.027 0.000 1.492 5083 G CA 0.209 45.299 45.100 -0.016 0.000 0.953 5083 G HN 2.018 nan 8.290 nan 0.000 0.555 5084 L N 0.085 121.278 121.223 -0.051 0.000 2.312 5084 L HA 0.732 5.072 4.340 -0.000 0.000 0.281 5084 L C 0.232 177.050 176.870 -0.086 0.000 1.070 5084 L CA -0.828 53.977 54.840 -0.058 0.000 0.805 5084 L CB 1.599 43.620 42.059 -0.064 0.000 1.174 5084 L HN 0.675 nan 8.230 nan 0.000 0.434 5085 N N 3.112 121.767 118.700 -0.074 0.000 2.800 5085 N HA 0.232 4.972 4.740 -0.000 0.000 0.240 5085 N C 0.657 176.108 175.510 -0.099 0.000 1.096 5085 N CA -0.311 52.675 53.050 -0.108 0.000 0.877 5085 N CB 0.943 39.404 38.487 -0.044 0.000 1.138 5085 N HN 0.515 nan 8.380 nan 0.000 0.509 5086 V N 2.528 122.328 119.914 -0.189 0.000 2.453 5086 V HA -0.246 3.874 4.120 -0.000 0.000 0.252 5086 V C 1.484 177.622 176.094 0.073 0.000 1.068 5086 V CA 1.545 63.785 62.300 -0.101 0.000 1.070 5086 V CB -0.815 30.914 31.823 -0.157 0.000 0.664 5086 V HN 0.581 nan 8.190 nan 0.000 0.461 5087 F N 1.180 121.127 119.950 -0.004 0.000 2.146 5087 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 5087 F C 2.665 178.463 175.800 -0.003 0.000 1.096 5087 F CA 1.774 59.771 58.000 -0.004 0.000 1.275 5087 F CB -1.583 37.415 39.000 -0.004 0.000 1.008 5087 F HN 0.383 nan 8.300 nan 0.000 0.480 5088 T N -3.750 110.916 114.554 0.187 0.000 3.044 5088 T HA 0.370 4.720 4.350 -0.000 0.000 0.250 5088 T C 1.562 176.299 174.700 0.061 0.000 1.081 5088 T CA 0.476 62.636 62.100 0.100 0.000 1.040 5088 T CB -0.121 68.793 68.868 0.077 0.000 0.962 5088 T HN 0.421 nan 8.240 nan 0.000 0.506 5089 G N 1.191 110.022 108.800 0.052 0.000 2.295 5089 G HA2 0.200 4.159 3.960 -0.000 0.000 0.287 5089 G HA3 0.200 4.159 3.960 -0.000 0.000 0.287 5089 G C 0.112 175.021 174.900 0.015 0.000 1.055 5089 G CA -0.056 45.060 45.100 0.027 0.000 0.922 5089 G HN 1.442 nan 8.290 nan 0.000 0.503 5090 A N -1.699 121.127 122.820 0.011 0.000 2.608 5090 A HA 0.943 5.263 4.320 -0.000 0.000 0.292 5090 A C 0.309 177.895 177.584 0.002 0.000 1.066 5090 A CA 0.048 52.090 52.037 0.008 0.000 0.676 5090 A CB 0.881 19.889 19.000 0.013 0.000 1.277 5090 A HN 1.942 nan 8.150 nan 0.000 0.413 5091 V N -0.645 119.271 119.914 0.003 0.000 3.209 5091 V HA 0.514 4.634 4.120 -0.000 0.000 0.305 5091 V C 0.174 176.272 176.094 0.006 0.000 1.127 5091 V CA 0.368 62.670 62.300 0.004 0.000 1.235 5091 V CB 0.179 32.008 31.823 0.011 0.000 0.987 5091 V HN 0.941 nan 8.190 nan 0.000 0.499 5092 E N 0.674 120.877 120.200 0.006 0.000 2.296 5092 E HA 0.383 4.733 4.350 -0.000 0.000 0.224 5092 E C -1.413 175.193 176.600 0.010 0.000 0.949 5092 E CA -0.597 55.808 56.400 0.008 0.000 0.879 5092 E CB 0.822 30.526 29.700 0.008 0.000 1.922 5092 E HN 0.877 nan 8.360 nan 0.000 0.437 5093 D N 1.262 121.667 120.400 0.009 0.000 2.441 5093 D HA 0.187 4.827 4.640 -0.000 0.000 0.231 5093 D C 0.870 177.174 176.300 0.008 0.000 1.073 5093 D CA -0.304 53.702 54.000 0.009 0.000 0.850 5093 D CB 0.802 41.607 40.800 0.008 0.000 1.062 5093 D HN 0.188 nan 8.370 nan 0.000 0.524 5094 M N 1.947 121.551 119.600 0.007 0.000 2.108 5094 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 5094 M C 2.281 178.583 176.300 0.005 0.000 1.066 5094 M CA 0.859 56.160 55.300 0.001 0.000 1.107 5094 M CB -1.094 31.507 32.600 0.001 0.000 1.356 5094 M HN 0.547 nan 8.290 nan 0.000 0.406 5095 C N 0.447 119.752 119.300 0.008 0.000 2.453 5095 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 5095 C C 2.713 177.708 174.990 0.009 0.000 1.262 5095 C CA 1.496 60.520 59.018 0.008 0.000 1.718 5095 C CB -0.857 26.888 27.740 0.008 0.000 2.031 5095 C HN 0.596 nan 8.230 nan 0.000 0.480 5096 E N 1.153 121.358 120.200 0.009 0.000 2.118 5096 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 5096 E C 1.612 178.220 176.600 0.014 0.000 0.992 5096 E CA 1.682 58.088 56.400 0.010 0.000 0.804 5096 E CB -0.373 29.332 29.700 0.010 0.000 0.741 5096 E HN 0.632 nan 8.360 nan 0.000 0.458 5097 N N -0.435 118.274 118.700 0.015 0.000 2.398 5097 N HA 0.070 4.810 4.740 -0.000 0.000 0.188 5097 N C 0.547 176.069 175.510 0.020 0.000 1.122 5097 N CA 0.899 53.961 53.050 0.021 0.000 0.866 5097 N CB 0.528 39.028 38.487 0.022 0.000 0.970 5097 N HN 0.287 nan 8.380 nan 0.000 0.462 5098 G N 0.540 109.349 108.800 0.014 0.000 2.283 5098 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.280 5098 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.280 5098 G C -0.090 174.816 174.900 0.010 0.000 1.029 5098 G CA 0.261 45.369 45.100 0.013 0.000 0.840 5098 G HN 0.200 nan 8.290 nan 0.000 0.505 5099 V N 1.064 120.979 119.914 0.002 0.000 2.222 5099 V HA 0.477 4.597 4.120 -0.000 0.000 0.253 5099 V C 0.792 176.878 176.094 -0.015 0.000 1.210 5099 V CA 0.069 62.362 62.300 -0.012 0.000 1.079 5099 V CB 0.539 32.341 31.823 -0.034 0.000 1.265 5099 V HN 0.961 nan 8.190 nan 0.000 0.494 5100 V N 1.914 121.823 119.914 -0.007 0.000 2.914 5100 V HA 0.888 5.008 4.120 -0.000 0.000 0.314 5100 V C -0.575 175.515 176.094 -0.007 0.000 1.084 5100 V CA -0.851 61.445 62.300 -0.006 0.000 0.963 5100 V CB 2.296 34.119 31.823 0.000 0.000 1.025 5100 V HN 0.777 nan 8.190 nan 0.000 0.432 5101 E N 2.148 122.344 120.200 -0.008 0.000 2.336 5101 E HA 0.723 5.073 4.350 -0.000 0.000 0.267 5101 E C -3.108 173.490 176.600 -0.002 0.000 0.906 5101 E CA -2.475 53.922 56.400 -0.006 0.000 0.781 5101 E CB 2.130 31.823 29.700 -0.012 0.000 1.261 5101 E HN 0.494 nan 8.360 nan 0.000 0.436 5102 P HA -0.032 nan 4.420 nan 0.000 0.269 5102 P C 0.335 177.636 177.300 0.001 0.000 1.209 5102 P CA -0.410 62.691 63.100 0.002 0.000 0.776 5102 P CB 0.523 32.225 31.700 0.002 0.000 0.876 5103 L N 3.410 124.635 121.223 0.004 0.000 2.093 5103 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 5103 L C 2.202 179.075 176.870 0.006 0.000 1.085 5103 L CA 1.714 56.557 54.840 0.005 0.000 0.755 5103 L CB -0.628 41.436 42.059 0.008 0.000 0.904 5103 L HN 0.268 nan 8.230 nan 0.000 0.435 5104 R N -1.441 119.062 120.500 0.005 0.000 2.127 5104 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 5104 R C 2.103 178.405 176.300 0.004 0.000 1.134 5104 R CA 1.415 57.519 56.100 0.005 0.000 0.975 5104 R CB -0.597 29.706 30.300 0.005 0.000 0.865 5104 R HN 0.293 nan 8.270 nan 0.000 0.447 5105 V N 1.361 121.276 119.914 0.002 0.000 2.255 5105 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 5105 V C 2.289 178.383 176.094 -0.001 0.000 1.051 5105 V CA 1.710 64.010 62.300 -0.001 0.000 1.018 5105 V CB -0.332 31.489 31.823 -0.004 0.000 0.641 5105 V HN 0.221 nan 8.190 nan 0.000 0.445 5106 K N -0.264 120.135 120.400 -0.001 0.000 2.103 5106 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 5106 K C 2.233 178.838 176.600 0.008 0.000 1.052 5106 K CA 1.567 57.854 56.287 -0.001 0.000 0.945 5106 K CB -0.704 31.794 32.500 -0.002 0.000 0.722 5106 K HN 0.500 nan 8.250 nan 0.000 0.443 5107 T N 1.345 115.906 114.554 0.011 0.000 2.737 5107 T HA -0.155 4.195 4.350 -0.000 0.000 0.265 5107 T C 1.928 176.638 174.700 0.017 0.000 1.038 5107 T CA 1.436 63.546 62.100 0.017 0.000 1.144 5107 T CB -0.075 68.802 68.868 0.015 0.000 0.866 5107 T HN 0.157 nan 8.240 nan 0.000 0.434 5108 Q N 1.314 121.121 119.800 0.012 0.000 2.079 5108 Q HA 0.118 4.458 4.340 -0.000 0.000 0.200 5108 Q C 2.312 178.319 176.000 0.012 0.000 0.974 5108 Q CA 1.666 57.476 55.803 0.012 0.000 0.840 5108 Q CB -0.740 28.002 28.738 0.008 0.000 0.898 5108 Q HN 0.471 nan 8.270 nan 0.000 0.430 5109 A N 0.401 123.225 122.820 0.008 0.000 1.892 5109 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 5109 A C 2.145 179.735 177.584 0.010 0.000 1.188 5109 A CA 1.781 53.820 52.037 0.003 0.000 0.631 5109 A CB -0.878 18.119 19.000 -0.005 0.000 0.822 5109 A HN 0.488 nan 8.150 nan 0.000 0.447 5110 I N -1.086 119.496 120.570 0.020 0.000 2.202 5110 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 5110 I C 2.783 178.931 176.117 0.052 0.000 1.091 5110 I CA 1.775 63.101 61.300 0.043 0.000 1.368 5110 I CB -0.347 37.694 38.000 0.067 0.000 1.058 5110 I HN 0.439 nan 8.210 nan 0.000 0.410 5111 Q N 1.101 120.924 119.800 0.039 0.000 1.975 5111 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 5111 Q C 2.295 178.315 176.000 0.034 0.000 0.990 5111 Q CA 2.630 58.455 55.803 0.036 0.000 0.845 5111 Q CB -0.375 28.378 28.738 0.025 0.000 0.913 5111 Q HN 0.327 nan 8.270 nan 0.000 0.420 5112 S N 0.191 115.906 115.700 0.025 0.000 2.383 5112 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 5112 S C 1.897 176.512 174.600 0.024 0.000 1.030 5112 S CA 0.986 59.199 58.200 0.021 0.000 1.002 5112 S CB -0.665 62.543 63.200 0.014 0.000 0.829 5112 S HN 0.587 nan 8.310 nan 0.000 0.467 5113 A N 1.550 124.384 122.820 0.024 0.000 1.877 5113 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 5113 A C 2.363 179.972 177.584 0.041 0.000 1.186 5113 A CA 1.726 53.776 52.037 0.021 0.000 0.620 5113 A CB -1.081 17.922 19.000 0.005 0.000 0.822 5113 A HN 0.524 nan 8.150 nan 0.000 0.443 5114 A N -0.319 122.540 122.820 0.065 0.000 1.930 5114 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 5114 A C 1.885 179.518 177.584 0.081 0.000 1.175 5114 A CA 1.514 53.610 52.037 0.099 0.000 0.627 5114 A CB -0.504 18.570 19.000 0.123 0.000 0.815 5114 A HN 0.626 nan 8.150 nan 0.000 0.443 5115 E N 0.053 120.288 120.200 0.058 0.000 2.153 5115 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 5115 E C 2.164 178.791 176.600 0.044 0.000 0.988 5115 E CA 1.242 57.670 56.400 0.047 0.000 0.811 5115 E CB -0.094 29.626 29.700 0.034 0.000 0.746 5115 E HN 0.605 nan 8.360 nan 0.000 0.466 5116 S N 0.179 115.904 115.700 0.041 0.000 2.377 5116 S HA -0.084 4.386 4.470 -0.000 0.000 0.223 5116 S C 2.106 176.734 174.600 0.047 0.000 1.030 5116 S CA 1.144 59.366 58.200 0.036 0.000 0.970 5116 S CB -0.157 63.059 63.200 0.027 0.000 0.830 5116 S HN 0.255 nan 8.310 nan 0.000 0.473 5117 T N 1.975 116.567 114.554 0.063 0.000 2.788 5117 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 5117 T C 1.786 176.545 174.700 0.098 0.000 1.044 5117 T CA 1.048 63.200 62.100 0.087 0.000 1.139 5117 T CB -0.236 68.705 68.868 0.121 0.000 0.867 5117 T HN 0.329 nan 8.240 nan 0.000 0.454 5118 E N 1.017 121.272 120.200 0.093 0.000 2.150 5118 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 5118 E C 2.155 178.788 176.600 0.055 0.000 0.985 5118 E CA 0.710 57.157 56.400 0.080 0.000 0.814 5118 E CB -0.258 29.483 29.700 0.070 0.000 0.752 5118 E HN 0.341 nan 8.360 nan 0.000 0.466 5119 M N 0.653 120.282 119.600 0.047 0.000 2.117 5119 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 5119 M C 2.144 178.466 176.300 0.035 0.000 1.065 5119 M CA 1.182 56.503 55.300 0.036 0.000 1.114 5119 M CB -0.493 32.125 32.600 0.031 0.000 1.361 5119 M HN 0.127 nan 8.290 nan 0.000 0.408 5120 L N -0.105 121.142 121.223 0.040 0.000 2.056 5120 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 5120 L C 2.464 179.356 176.870 0.037 0.000 1.078 5120 L CA 0.853 55.714 54.840 0.036 0.000 0.749 5120 L CB -0.747 41.335 42.059 0.039 0.000 0.901 5120 L HN 0.294 nan 8.230 nan 0.000 0.433 5121 L N -0.378 120.873 121.223 0.048 0.000 2.191 5121 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 5121 L C 2.770 179.659 176.870 0.031 0.000 1.103 5121 L CA 0.990 55.854 54.840 0.041 0.000 0.769 5121 L CB -0.427 41.664 42.059 0.052 0.000 0.908 5121 L HN 0.261 nan 8.230 nan 0.000 0.438 5122 R N 0.571 121.091 120.500 0.033 0.000 2.148 5122 R HA -0.013 4.327 4.340 -0.000 0.000 0.223 5122 R C 0.768 177.084 176.300 0.026 0.000 1.088 5122 R CA 0.312 56.430 56.100 0.030 0.000 0.985 5122 R CB -0.009 30.307 30.300 0.028 0.000 0.880 5122 R HN 0.228 nan 8.270 nan 0.000 0.451 5123 I N 2.167 122.752 120.570 0.024 0.000 2.517 5123 I HA -0.054 4.116 4.170 -0.000 0.000 0.285 5123 I C -0.001 176.127 176.117 0.018 0.000 1.106 5123 I CA 0.478 61.791 61.300 0.021 0.000 1.402 5123 I CB 0.963 38.975 38.000 0.021 0.000 1.399 5123 I HN 0.100 nan 8.210 nan 0.000 0.535 5124 D N 4.171 124.582 120.400 0.017 0.000 2.535 5124 D HA 0.146 4.786 4.640 -0.000 0.000 0.229 5124 D C -0.499 175.809 176.300 0.013 0.000 1.238 5124 D CA 0.243 54.250 54.000 0.011 0.000 0.824 5124 D CB 0.684 41.490 40.800 0.010 0.000 1.045 5124 D HN 0.466 nan 8.370 nan 0.000 0.500 5125 D N 0.473 120.884 120.400 0.018 0.000 2.931 5125 D HA 0.184 4.824 4.640 -0.000 0.000 0.215 5125 D C -1.445 174.871 176.300 0.027 0.000 1.297 5125 D CA -0.421 53.593 54.000 0.023 0.000 0.892 5125 D CB 2.064 42.876 40.800 0.020 0.000 1.642 5125 D HN -0.321 nan 8.370 nan 0.000 0.560 5126 V N 5.011 124.946 119.914 0.036 0.000 2.443 5126 V HA 0.516 4.636 4.120 -0.000 0.000 0.293 5126 V C 0.028 176.155 176.094 0.057 0.000 1.021 5126 V CA -0.568 61.758 62.300 0.042 0.000 0.848 5126 V CB 1.587 33.435 31.823 0.041 0.000 0.998 5126 V HN 0.519 nan 8.190 nan 0.000 0.424 5127 I N 4.539 125.138 120.570 0.049 0.000 2.437 5127 I HA 0.668 4.838 4.170 -0.000 0.000 0.279 5127 I C 0.222 176.369 176.117 0.050 0.000 1.028 5127 I CA -0.403 60.929 61.300 0.052 0.000 1.142 5127 I CB 1.608 39.629 38.000 0.035 0.000 1.266 5127 I HN 0.660 nan 8.210 nan 0.000 0.461 5128 A N 5.146 128.008 122.820 0.070 0.000 2.287 5128 A HA 0.859 5.179 4.320 -0.000 0.000 0.317 5128 A C 0.297 177.909 177.584 0.048 0.000 1.220 5128 A CA -0.437 51.632 52.037 0.053 0.000 0.835 5128 A CB 0.965 19.996 19.000 0.053 0.000 1.180 5128 A HN 0.744 nan 8.150 nan 0.000 0.500 5129 A N 1.982 124.816 122.820 0.023 0.000 2.429 5129 A HA 0.468 4.788 4.320 -0.000 0.000 0.242 5129 A C 0.615 178.200 177.584 0.002 0.000 1.088 5129 A CA 0.177 52.221 52.037 0.012 0.000 0.784 5129 A CB -0.020 18.983 19.000 0.005 0.000 1.038 5129 A HN 0.946 nan 8.150 nan 0.000 0.501 5130 E N 0.000 120.198 120.200 -0.003 0.000 2.725 5130 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 5130 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 5130 E CB 0.000 29.693 29.700 -0.011 0.000 0.812 5130 E HN 0.000 nan 8.360 nan 0.000 0.440