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 3izm_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 0.000 176.084 176.094 -0.017 0.000 1.182 4618 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 4618 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 4619 L N 2.410 123.620 121.223 -0.021 0.000 2.325 4619 L HA 0.621 4.961 4.340 0.000 0.000 0.278 4619 L C -2.351 174.504 176.870 -0.025 0.000 1.023 4619 L CA -1.586 53.239 54.840 -0.026 0.000 0.811 4619 L CB 1.050 43.088 42.059 -0.035 0.000 1.249 4619 L HN 0.158 nan 8.230 nan 0.000 0.431 4620 P HA 0.045 nan 4.420 nan 0.000 0.265 4620 P C -0.582 176.703 177.300 -0.024 0.000 1.193 4620 P CA -0.300 62.788 63.100 -0.021 0.000 0.765 4620 P CB 0.492 32.180 31.700 -0.019 0.000 0.823 4621 E N 2.924 123.112 120.200 -0.020 0.000 2.376 4621 E HA 0.040 4.390 4.350 0.000 0.000 0.266 4621 E C 0.507 177.095 176.600 -0.020 0.000 1.009 4621 E CA 0.621 57.008 56.400 -0.021 0.000 0.902 4621 E CB -0.139 29.552 29.700 -0.015 0.000 0.972 4621 E HN 0.395 nan 8.360 nan 0.000 0.439 4622 N N 1.953 120.638 118.700 -0.025 0.000 2.990 4622 N HA -0.199 4.541 4.740 0.000 0.000 0.163 4622 N C -0.160 175.330 175.510 -0.034 0.000 1.452 4622 N CA 0.654 53.691 53.050 -0.022 0.000 1.624 4622 N CB -1.159 37.319 38.487 -0.014 0.000 1.088 4622 N HN 0.583 nan 8.380 nan 0.000 0.695 4623 M N 2.841 122.415 119.600 -0.043 0.000 2.248 4623 M HA 0.065 4.545 4.480 0.000 0.000 0.345 4623 M C -0.452 175.789 176.300 -0.098 0.000 1.243 4623 M CA 0.666 55.930 55.300 -0.061 0.000 1.090 4623 M CB 0.410 32.976 32.600 -0.057 0.000 1.683 4623 M HN -0.122 nan 8.290 nan 0.000 0.450 4624 K N 5.197 125.520 120.400 -0.129 0.000 2.259 4624 K HA 0.538 4.858 4.320 0.000 0.000 0.252 4624 K C -1.123 175.275 176.600 -0.336 0.000 0.936 4624 K CA -0.575 55.559 56.287 -0.254 0.000 0.810 4624 K CB 2.197 34.572 32.500 -0.209 0.000 1.143 4624 K HN 0.770 nan 8.250 nan 0.000 0.427 4625 R N 2.143 122.332 120.500 -0.518 0.000 2.604 4625 R HA 0.422 4.762 4.340 0.000 0.000 0.281 4625 R C -1.483 174.466 176.300 -0.584 0.000 1.020 4625 R CA -0.530 55.322 56.100 -0.414 0.000 0.899 4625 R CB 1.208 31.389 30.300 -0.198 0.000 1.205 4625 R HN 0.601 nan 8.270 nan 0.000 0.450 4626 Y N 4.284 124.577 120.300 -0.013 0.000 2.512 4626 Y HA 0.594 5.144 4.550 0.000 0.000 0.348 4626 Y C 0.155 176.059 175.900 0.007 0.000 0.990 4626 Y CA -1.073 57.031 58.100 0.006 0.000 1.033 4626 Y CB 2.375 40.851 38.460 0.027 0.000 1.259 4626 Y HN 0.409 nan 8.280 nan 0.000 0.461 4627 M N 0.858 120.555 119.600 0.162 0.000 2.520 4627 M HA 0.773 5.253 4.480 0.000 0.000 0.280 4627 M C 0.053 176.395 176.300 0.070 0.000 1.232 4627 M CA -0.180 55.172 55.300 0.087 0.000 0.892 4627 M CB 1.226 33.854 32.600 0.046 0.000 1.728 4627 M HN 0.898 nan 8.290 nan 0.000 0.475 4628 G N 2.712 111.538 108.800 0.045 0.000 2.622 4628 G HA2 -0.378 3.582 3.960 0.000 0.000 0.307 4628 G HA3 -0.378 3.582 3.960 0.000 0.000 0.307 4628 G C 0.642 175.556 174.900 0.022 0.000 1.226 4628 G CA 1.333 46.447 45.100 0.024 0.000 0.997 4628 G HN 1.189 nan 8.290 nan 0.000 0.551 4629 R N 0.364 120.873 120.500 0.016 0.000 2.096 4629 R HA -0.070 4.270 4.340 0.000 0.000 0.235 4629 R C 2.155 178.467 176.300 0.020 0.000 1.127 4629 R CA 2.199 58.304 56.100 0.009 0.000 0.968 4629 R CB -0.405 29.898 30.300 0.005 0.000 0.861 4629 R HN 0.612 nan 8.270 nan 0.000 0.440 4630 D N 0.044 120.474 120.400 0.050 0.000 2.183 4630 D HA -0.074 4.566 4.640 0.000 0.000 0.203 4630 D C 1.700 178.034 176.300 0.056 0.000 0.969 4630 D CA 1.223 55.266 54.000 0.071 0.000 0.842 4630 D CB -0.060 40.834 40.800 0.156 0.000 0.957 4630 D HN 0.374 nan 8.370 nan 0.000 0.484 4631 A N 1.228 124.107 122.820 0.099 0.000 1.877 4631 A HA -0.191 4.129 4.320 0.000 0.000 0.216 4631 A C 2.155 179.759 177.584 0.034 0.000 1.186 4631 A CA 1.176 53.273 52.037 0.100 0.000 0.620 4631 A CB -0.360 18.706 19.000 0.111 0.000 0.822 4631 A HN 0.067 nan 8.150 nan 0.000 0.443 4632 Q N -0.706 119.105 119.800 0.017 0.000 2.079 4632 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 4632 Q C 2.267 178.251 176.000 -0.026 0.000 0.974 4632 Q CA 1.608 57.409 55.803 -0.003 0.000 0.840 4632 Q CB -0.380 28.352 28.738 -0.010 0.000 0.898 4632 Q HN 0.758 nan 8.270 nan 0.000 0.430 4633 R N -0.158 120.321 120.500 -0.035 0.000 2.066 4633 R HA -0.060 4.280 4.340 0.000 0.000 0.232 4633 R C 2.157 178.395 176.300 -0.103 0.000 1.131 4633 R CA 1.096 57.162 56.100 -0.056 0.000 0.955 4633 R CB 0.049 30.322 30.300 -0.044 0.000 0.851 4633 R HN 0.135 nan 8.270 nan 0.000 0.432 4634 M N 0.763 120.276 119.600 -0.145 0.000 2.229 4634 M HA -0.104 4.376 4.480 0.000 0.000 0.264 4634 M C 1.646 177.785 176.300 -0.268 0.000 1.063 4634 M CA 1.411 56.568 55.300 -0.238 0.000 1.114 4634 M CB -1.095 31.249 32.600 -0.426 0.000 1.387 4634 M HN 0.293 nan 8.290 nan 0.000 0.420 4635 N N 0.223 118.842 118.700 -0.135 0.000 2.171 4635 N HA -0.057 4.683 4.740 0.000 0.000 0.184 4635 N C 1.834 177.265 175.510 -0.132 0.000 1.021 4635 N CA 1.049 54.028 53.050 -0.117 0.000 0.854 4635 N CB 0.084 38.576 38.487 0.009 0.000 0.994 4635 N HN 0.297 nan 8.380 nan 0.000 0.426 4636 I N 0.904 121.419 120.570 -0.091 0.000 2.315 4636 I HA -0.232 3.938 4.170 0.000 0.000 0.248 4636 I C 1.901 177.958 176.117 -0.099 0.000 1.117 4636 I CA 0.707 61.965 61.300 -0.070 0.000 1.404 4636 I CB -0.026 37.949 38.000 -0.042 0.000 1.071 4636 I HN 0.076 nan 8.210 nan 0.000 0.419 4637 L N 0.716 121.859 121.223 -0.133 0.000 2.005 4637 L HA -0.143 4.197 4.340 0.000 0.000 0.207 4637 L C 2.729 179.493 176.870 -0.176 0.000 1.072 4637 L CA 2.192 56.949 54.840 -0.139 0.000 0.744 4637 L CB -1.312 40.660 42.059 -0.143 0.000 0.895 4637 L HN 0.191 nan 8.230 nan 0.000 0.433 4638 A N -0.577 122.066 122.820 -0.295 0.000 1.917 4638 A HA -0.169 4.151 4.320 0.000 0.000 0.219 4638 A C 2.398 179.870 177.584 -0.188 0.000 1.182 4638 A CA 1.957 53.790 52.037 -0.341 0.000 0.633 4638 A CB -1.418 17.131 19.000 -0.750 0.000 0.819 4638 A HN 0.463 nan 8.150 nan 0.000 0.448 4639 G N -0.900 107.808 108.800 -0.154 0.000 2.404 4639 G HA2 -0.241 3.719 3.960 0.000 0.000 0.215 4639 G HA3 -0.241 3.719 3.960 0.000 0.000 0.215 4639 G C 1.751 176.609 174.900 -0.071 0.000 1.174 4639 G CA 1.021 46.069 45.100 -0.086 0.000 0.780 4639 G HN 0.566 nan 8.290 nan 0.000 0.537 4640 R N 0.015 120.470 120.500 -0.074 0.000 2.092 4640 R HA 0.068 4.408 4.340 0.000 0.000 0.231 4640 R C 2.541 178.806 176.300 -0.059 0.000 1.119 4640 R CA 0.911 56.974 56.100 -0.061 0.000 0.970 4640 R CB -0.314 29.951 30.300 -0.057 0.000 0.864 4640 R HN 0.424 nan 8.270 nan 0.000 0.440 4641 I N 0.730 121.258 120.570 -0.070 0.000 2.208 4641 I HA -0.311 3.859 4.170 0.000 0.000 0.245 4641 I C 2.043 178.131 176.117 -0.047 0.000 1.097 4641 I CA 0.922 62.187 61.300 -0.059 0.000 1.363 4641 I CB -0.211 37.747 38.000 -0.070 0.000 1.051 4641 I HN 0.212 nan 8.210 nan 0.000 0.413 4642 I N 1.026 121.567 120.570 -0.049 0.000 2.179 4642 I HA -0.276 3.894 4.170 0.000 0.000 0.242 4642 I C 2.857 178.954 176.117 -0.033 0.000 1.088 4642 I CA 1.768 63.047 61.300 -0.035 0.000 1.357 4642 I CB -1.530 36.451 38.000 -0.032 0.000 1.051 4642 I HN 0.192 nan 8.210 nan 0.000 0.409 4643 A N 0.282 123.079 122.820 -0.039 0.000 1.933 4643 A HA -0.186 4.134 4.320 0.000 0.000 0.218 4643 A C 2.159 179.721 177.584 -0.036 0.000 1.175 4643 A CA 1.372 53.386 52.037 -0.038 0.000 0.628 4643 A CB -0.414 18.559 19.000 -0.044 0.000 0.814 4643 A HN 0.370 nan 8.150 nan 0.000 0.444 4644 E N -0.459 119.719 120.200 -0.037 0.000 2.106 4644 E HA -0.106 4.244 4.350 0.000 0.000 0.192 4644 E C 2.086 178.668 176.600 -0.029 0.000 0.984 4644 E CA 1.614 57.994 56.400 -0.033 0.000 0.806 4644 E CB -0.655 29.025 29.700 -0.034 0.000 0.750 4644 E HN 0.601 nan 8.360 nan 0.000 0.458 4645 T N 1.047 115.585 114.554 -0.027 0.000 2.770 4645 T HA -0.091 4.259 4.350 0.000 0.000 0.263 4645 T C 2.124 176.812 174.700 -0.020 0.000 1.039 4645 T CA 1.637 63.724 62.100 -0.022 0.000 1.142 4645 T CB -0.111 68.746 68.868 -0.018 0.000 0.868 4645 T HN 0.200 nan 8.240 nan 0.000 0.435 4646 V N 1.880 121.781 119.914 -0.022 0.000 2.788 4646 V HA 0.049 4.169 4.120 0.000 0.000 0.251 4646 V C 2.345 178.425 176.094 -0.023 0.000 1.068 4646 V CA 1.126 63.414 62.300 -0.020 0.000 1.090 4646 V CB -0.891 30.921 31.823 -0.019 0.000 0.710 4646 V HN 0.464 nan 8.190 nan 0.000 0.467 4647 R N 2.719 123.202 120.500 -0.028 0.000 2.193 4647 R HA -0.079 4.261 4.340 0.000 0.000 0.229 4647 R C 2.010 178.292 176.300 -0.030 0.000 1.110 4647 R CA 1.667 57.748 56.100 -0.031 0.000 0.988 4647 R CB -1.065 29.214 30.300 -0.035 0.000 0.871 4647 R HN 0.681 nan 8.270 nan 0.000 0.458 4648 S N 0.187 115.871 115.700 -0.027 0.000 2.555 4648 S HA -0.077 4.393 4.470 0.000 0.000 0.230 4648 S C 1.695 176.279 174.600 -0.026 0.000 0.978 4648 S CA 0.788 58.971 58.200 -0.027 0.000 0.934 4648 S CB 0.060 63.245 63.200 -0.024 0.000 0.766 4648 S HN 0.588 nan 8.310 nan 0.000 0.533 4649 T N -1.170 113.369 114.554 -0.024 0.000 3.014 4649 T HA 0.328 4.678 4.350 0.000 0.000 0.250 4649 T C 0.391 175.077 174.700 -0.024 0.000 1.060 4649 T CA -0.452 61.636 62.100 -0.021 0.000 1.040 4649 T CB -0.438 68.421 68.868 -0.015 0.000 0.971 4649 T HN 0.266 nan 8.240 nan 0.000 0.497 4650 L N 2.760 123.967 121.223 -0.028 0.000 2.410 4650 L HA 0.557 4.897 4.340 0.000 0.000 0.273 4650 L C 0.636 177.482 176.870 -0.040 0.000 1.152 4650 L CA 1.556 56.378 54.840 -0.030 0.000 0.855 4650 L CB -0.372 41.668 42.059 -0.031 0.000 1.129 4650 L HN 0.735 nan 8.230 nan 0.000 0.463 4651 G N 3.940 112.717 108.800 -0.040 0.000 2.662 4651 G HA2 -0.127 3.833 3.960 0.000 0.000 0.686 4651 G HA3 -0.127 3.833 3.960 0.000 0.000 0.686 4651 G C -2.146 172.706 174.900 -0.079 0.000 1.271 4651 G CA -0.459 44.604 45.100 -0.062 0.000 0.816 4651 G HN 0.488 nan 8.290 nan 0.000 0.608 4652 P HA -0.024 nan 4.420 nan 0.000 0.217 4652 P C 1.444 178.651 177.300 -0.154 0.000 1.148 4652 P CA 1.489 64.477 63.100 -0.187 0.000 0.828 4652 P CB 0.047 31.440 31.700 -0.512 0.000 0.783 4653 K N -1.010 119.300 120.400 -0.150 0.000 2.410 4653 K HA 0.243 4.563 4.320 0.000 0.000 0.200 4653 K C 1.036 177.595 176.600 -0.069 0.000 1.023 4653 K CA -0.182 56.042 56.287 -0.105 0.000 1.149 4653 K CB -0.128 32.305 32.500 -0.111 0.000 0.859 4653 K HN 0.040 nan 8.250 nan 0.000 0.514 4654 G N 0.534 109.298 108.800 -0.061 0.000 2.527 4654 G HA2 0.199 4.159 3.960 0.000 0.000 0.248 4654 G HA3 0.199 4.159 3.960 0.000 0.000 0.248 4654 G C -0.019 174.862 174.900 -0.032 0.000 1.231 4654 G CA -0.420 44.654 45.100 -0.042 0.000 0.838 4654 G HN -0.054 nan 8.290 nan 0.000 0.570 4655 M N 0.159 119.743 119.600 -0.026 0.000 2.531 4655 M HA 0.427 4.907 4.480 0.000 0.000 0.262 4655 M C -0.607 175.684 176.300 -0.015 0.000 1.168 4655 M CA -0.546 54.742 55.300 -0.020 0.000 0.926 4655 M CB 1.382 33.970 32.600 -0.021 0.000 1.445 4655 M HN 0.351 nan 8.290 nan 0.000 0.531 4656 D N 0.330 120.722 120.400 -0.013 0.000 2.374 4656 D HA 0.505 5.146 4.640 0.000 0.000 0.239 4656 D C -0.624 175.669 176.300 -0.011 0.000 0.991 4656 D CA -0.415 53.580 54.000 -0.009 0.000 0.960 4656 D CB 1.383 42.179 40.800 -0.005 0.000 1.284 4656 D HN 0.100 nan 8.370 nan 0.000 0.512 4657 K N 0.681 121.077 120.400 -0.007 0.000 2.259 4657 K HA 0.503 4.823 4.320 0.000 0.000 0.249 4657 K C -0.680 175.917 176.600 -0.007 0.000 0.942 4657 K CA -0.669 55.614 56.287 -0.007 0.000 0.816 4657 K CB 2.321 34.819 32.500 -0.004 0.000 1.155 4657 K HN 0.438 nan 8.250 nan 0.000 0.428 4658 M N 3.626 123.219 119.600 -0.012 0.000 2.046 4658 M HA 0.287 4.767 4.480 0.000 0.000 0.309 4658 M C -1.683 174.615 176.300 -0.004 0.000 0.935 4658 M CA -0.962 54.329 55.300 -0.015 0.000 0.915 4658 M CB 0.531 33.110 32.600 -0.035 0.000 1.474 4658 M HN 0.348 nan 8.290 nan 0.000 0.415 4659 L N 5.997 127.225 121.223 0.009 0.000 2.280 4659 L HA 0.529 4.869 4.340 0.000 0.000 0.287 4659 L C -0.859 176.024 176.870 0.021 0.000 1.023 4659 L CA -0.331 54.517 54.840 0.013 0.000 0.819 4659 L CB 1.758 43.826 42.059 0.016 0.000 1.212 4659 L HN 0.408 nan 8.230 nan 0.000 0.420 4660 V N 2.829 122.752 119.914 0.015 0.000 2.378 4660 V HA 0.343 4.463 4.120 0.000 0.000 0.288 4660 V C -0.151 175.953 176.094 0.017 0.000 1.016 4660 V CA -0.958 61.353 62.300 0.019 0.000 0.840 4660 V CB 1.396 33.227 31.823 0.013 0.000 0.994 4660 V HN 0.798 nan 8.190 nan 0.000 0.431 4661 D N 3.554 123.966 120.400 0.021 0.000 2.356 4661 D HA -0.007 4.633 4.640 0.000 0.000 0.258 4661 D C 1.042 177.350 176.300 0.014 0.000 1.279 4661 D CA -0.219 53.791 54.000 0.017 0.000 1.016 4661 D CB 0.479 41.289 40.800 0.017 0.000 1.107 4661 D HN 0.562 nan 8.370 nan 0.000 0.544 4662 D N -0.887 119.521 120.400 0.012 0.000 2.371 4662 D HA -0.121 4.519 4.640 0.000 0.000 0.221 4662 D C 1.596 177.902 176.300 0.011 0.000 0.986 4662 D CA 0.494 54.500 54.000 0.011 0.000 0.899 4662 D CB -0.166 40.640 40.800 0.010 0.000 0.902 4662 D HN 0.389 nan 8.370 nan 0.000 0.530 4663 L N -0.942 120.289 121.223 0.012 0.000 2.590 4663 L HA 0.322 4.662 4.340 0.000 0.000 0.227 4663 L C 1.748 178.627 176.870 0.015 0.000 1.099 4663 L CA 0.493 55.341 54.840 0.012 0.000 0.872 4663 L CB 0.339 42.405 42.059 0.012 0.000 1.088 4663 L HN 0.286 nan 8.230 nan 0.000 0.479 4664 G N -0.231 108.580 108.800 0.017 0.000 2.201 4664 G HA2 -0.247 3.713 3.960 0.000 0.000 0.212 4664 G HA3 -0.247 3.713 3.960 0.000 0.000 0.212 4664 G C 0.061 174.980 174.900 0.030 0.000 0.994 4664 G CA -0.063 45.050 45.100 0.020 0.000 0.644 4664 G HN 0.305 nan 8.290 nan 0.000 0.508 4665 D N 1.279 121.698 120.400 0.032 0.000 2.434 4665 D HA 0.376 5.016 4.640 0.000 0.000 0.252 4665 D C 0.523 176.859 176.300 0.062 0.000 1.185 4665 D CA 0.241 54.267 54.000 0.044 0.000 0.886 4665 D CB 1.087 41.905 40.800 0.031 0.000 1.148 4665 D HN 0.230 nan 8.370 nan 0.000 0.483 4666 V N 4.881 124.859 119.914 0.107 0.000 2.370 4666 V HA 0.261 4.381 4.120 0.000 0.000 0.279 4666 V C 0.229 176.465 176.094 0.237 0.000 1.029 4666 V CA -0.834 61.546 62.300 0.134 0.000 0.870 4666 V CB 1.621 33.505 31.823 0.103 0.000 0.984 4666 V HN 0.327 nan 8.190 nan 0.000 0.451 4667 V N 6.015 126.010 119.914 0.134 0.000 2.357 4667 V HA 0.423 4.543 4.120 0.000 0.000 0.284 4667 V C -0.162 175.996 176.094 0.107 0.000 1.018 4667 V CA -0.507 61.875 62.300 0.137 0.000 0.841 4667 V CB 1.802 33.667 31.823 0.071 0.000 0.991 4667 V HN 0.606 nan 8.190 nan 0.000 0.437 4668 V N 4.670 124.688 119.914 0.173 0.000 2.350 4668 V HA 0.710 4.830 4.120 0.000 0.000 0.285 4668 V C 0.074 176.218 176.094 0.083 0.000 1.014 4668 V CA 0.027 62.372 62.300 0.075 0.000 0.831 4668 V CB 1.553 33.365 31.823 -0.017 0.000 1.000 4668 V HN 0.979 nan 8.190 nan 0.000 0.433 4669 T N 2.719 117.298 114.554 0.043 0.000 2.792 4669 T HA 0.334 4.684 4.350 0.000 0.000 0.303 4669 T C 0.150 174.861 174.700 0.017 0.000 1.310 4669 T CA -0.342 61.778 62.100 0.034 0.000 1.007 4669 T CB 2.140 71.028 68.868 0.032 0.000 1.335 4669 T HN 0.560 nan 8.240 nan 0.000 0.504 4670 N N 0.285 118.993 118.700 0.014 0.000 2.257 4670 N HA 0.118 4.858 4.740 0.000 0.000 0.200 4670 N C -0.806 174.706 175.510 0.004 0.000 1.163 4670 N CA 0.082 53.136 53.050 0.006 0.000 0.891 4670 N CB 0.463 38.953 38.487 0.005 0.000 1.067 4670 N HN 0.610 nan 8.380 nan 0.000 0.497 4671 D N -0.008 120.396 120.400 0.008 0.000 2.434 4671 D HA 0.157 4.797 4.640 0.000 0.000 0.252 4671 D C 1.370 177.672 176.300 0.003 0.000 1.185 4671 D CA 0.211 54.215 54.000 0.005 0.000 0.886 4671 D CB 1.115 41.920 40.800 0.008 0.000 1.148 4671 D HN 0.250 nan 8.370 nan 0.000 0.483 4672 G N 1.625 110.425 108.800 -0.001 0.000 2.421 4672 G HA2 -0.241 3.719 3.960 0.000 0.000 0.216 4672 G HA3 -0.241 3.719 3.960 0.000 0.000 0.216 4672 G C 1.536 176.436 174.900 -0.001 0.000 1.171 4672 G CA 0.326 45.425 45.100 -0.003 0.000 0.775 4672 G HN 0.461 nan 8.290 nan 0.000 0.543 4673 V N 0.826 120.740 119.914 0.000 0.000 2.490 4673 V HA -0.129 3.991 4.120 0.000 0.000 0.250 4673 V C 2.925 179.021 176.094 0.005 0.000 1.061 4673 V CA 2.877 65.179 62.300 0.002 0.000 1.064 4673 V CB -0.615 31.209 31.823 0.002 0.000 0.670 4673 V HN 0.403 nan 8.190 nan 0.000 0.461 4674 T N 0.539 115.096 114.554 0.006 0.000 2.812 4674 T HA -0.046 4.304 4.350 0.000 0.000 0.264 4674 T C 1.759 176.465 174.700 0.009 0.000 1.042 4674 T CA 1.914 64.019 62.100 0.008 0.000 1.140 4674 T CB -0.262 68.612 68.868 0.010 0.000 0.870 4674 T HN 0.474 nan 8.240 nan 0.000 0.445 4675 I N 0.652 121.227 120.570 0.008 0.000 2.264 4675 I HA -0.150 4.020 4.170 0.000 0.000 0.248 4675 I C 2.015 178.136 176.117 0.007 0.000 1.111 4675 I CA 0.916 62.221 61.300 0.007 0.000 1.382 4675 I CB -0.272 37.730 38.000 0.003 0.000 1.060 4675 I HN 0.163 nan 8.210 nan 0.000 0.418 4676 L N 0.232 121.458 121.223 0.005 0.000 2.109 4676 L HA -0.101 4.239 4.340 0.000 0.000 0.207 4676 L C 2.524 179.400 176.870 0.009 0.000 1.086 4676 L CA 1.619 56.462 54.840 0.006 0.000 0.760 4676 L CB -0.767 41.295 42.059 0.004 0.000 0.910 4676 L HN 0.095 nan 8.230 nan 0.000 0.437 4677 R N -0.851 119.655 120.500 0.009 0.000 2.075 4677 R HA -0.097 4.243 4.340 0.000 0.000 0.232 4677 R C 2.034 178.341 176.300 0.011 0.000 1.126 4677 R CA 0.957 57.063 56.100 0.010 0.000 0.963 4677 R CB -0.112 30.193 30.300 0.009 0.000 0.858 4677 R HN 0.320 nan 8.270 nan 0.000 0.435 4678 E N 0.874 121.081 120.200 0.012 0.000 2.086 4678 E HA -0.060 4.290 4.350 0.000 0.000 0.190 4678 E C 1.223 177.830 176.600 0.013 0.000 0.975 4678 E CA 0.501 56.909 56.400 0.013 0.000 0.813 4678 E CB -0.125 29.584 29.700 0.015 0.000 0.768 4678 E HN 0.355 nan 8.360 nan 0.000 0.457 4679 M N -0.036 119.571 119.600 0.012 0.000 2.240 4679 M HA 0.091 4.571 4.480 0.000 0.000 0.317 4679 M C 0.509 176.818 176.300 0.014 0.000 1.087 4679 M CA 0.357 55.664 55.300 0.012 0.000 1.176 4679 M CB 0.540 33.146 32.600 0.010 0.000 1.439 4679 M HN -0.257 nan 8.290 nan 0.000 0.452 4680 S N 2.205 117.915 115.700 0.015 0.000 2.473 4680 S HA 0.439 4.909 4.470 0.000 0.000 0.312 4680 S C -0.729 173.885 174.600 0.023 0.000 1.087 4680 S CA -0.790 57.421 58.200 0.018 0.000 1.077 4680 S CB -0.282 62.928 63.200 0.017 0.000 1.065 4680 S HN 0.516 nan 8.310 nan 0.000 0.510 4681 V N 5.664 125.594 119.914 0.027 0.000 2.439 4681 V HA 0.400 4.520 4.120 0.000 0.000 0.282 4681 V C 0.720 176.842 176.094 0.047 0.000 1.039 4681 V CA -0.380 61.943 62.300 0.038 0.000 0.913 4681 V CB 1.638 33.484 31.823 0.038 0.000 0.983 4681 V HN 0.778 nan 8.190 nan 0.000 0.460 4682 E N 1.085 121.324 120.200 0.065 0.000 2.256 4682 E HA 0.084 4.434 4.350 0.000 0.000 0.198 4682 E C 0.727 177.376 176.600 0.082 0.000 0.908 4682 E CA 0.072 56.509 56.400 0.062 0.000 0.915 4682 E CB -0.001 29.734 29.700 0.058 0.000 0.890 4682 E HN 0.692 nan 8.360 nan 0.000 0.484 4683 H N 2.796 121.883 119.070 0.028 0.000 2.886 4683 H HA 0.024 4.580 4.556 0.000 0.000 0.329 4683 H C -1.712 173.632 175.328 0.027 0.000 1.044 4683 H CA -1.266 54.802 56.048 0.033 0.000 1.456 4683 H CB 1.446 31.212 29.762 0.007 0.000 1.464 4683 H HN -0.190 nan 8.280 nan 0.000 0.573 4684 P HA -0.125 nan 4.420 nan 0.000 0.218 4684 P C 1.051 178.469 177.300 0.197 0.000 1.148 4684 P CA 1.941 65.096 63.100 0.091 0.000 0.822 4684 P CB 0.146 31.848 31.700 0.004 0.000 0.784 4685 A N 0.006 123.085 122.820 0.431 0.000 1.898 4685 A HA -0.045 4.275 4.320 0.000 0.000 0.216 4685 A C 2.315 179.950 177.584 0.084 0.000 1.181 4685 A CA 1.886 54.044 52.037 0.203 0.000 0.620 4685 A CB -1.540 17.511 19.000 0.086 0.000 0.819 4685 A HN 0.187 nan 8.150 nan 0.000 0.442 4686 A N -0.119 122.748 122.820 0.080 0.000 1.972 4686 A HA -0.136 4.184 4.320 0.000 0.000 0.219 4686 A C 2.071 179.682 177.584 0.045 0.000 1.169 4686 A CA 1.728 53.782 52.037 0.029 0.000 0.635 4686 A CB -0.390 18.624 19.000 0.022 0.000 0.810 4686 A HN 0.546 nan 8.150 nan 0.000 0.446 4687 K N -0.975 119.467 120.400 0.070 0.000 2.097 4687 K HA -0.057 4.263 4.320 0.000 0.000 0.205 4687 K C 1.888 178.513 176.600 0.041 0.000 1.050 4687 K CA 1.337 57.655 56.287 0.051 0.000 0.938 4687 K CB -0.206 32.326 32.500 0.053 0.000 0.718 4687 K HN 0.358 nan 8.250 nan 0.000 0.442 4688 M N 0.592 120.221 119.600 0.048 0.000 2.254 4688 M HA -0.066 4.414 4.480 0.000 0.000 0.265 4688 M C 2.150 178.466 176.300 0.026 0.000 1.066 4688 M CA 1.130 56.452 55.300 0.037 0.000 1.123 4688 M CB -0.654 31.972 32.600 0.043 0.000 1.388 4688 M HN 0.204 nan 8.290 nan 0.000 0.425 4689 L N 0.109 121.345 121.223 0.021 0.000 2.083 4689 L HA -0.201 4.139 4.340 0.000 0.000 0.209 4689 L C 2.215 179.091 176.870 0.009 0.000 1.083 4689 L CA 1.038 55.884 54.840 0.010 0.000 0.752 4689 L CB -0.164 41.894 42.059 -0.002 0.000 0.899 4689 L HN 0.189 nan 8.230 nan 0.000 0.433 4690 I N -0.449 120.129 120.570 0.013 0.000 2.286 4690 I HA -0.283 3.887 4.170 0.000 0.000 0.248 4690 I C 2.439 178.563 176.117 0.012 0.000 1.115 4690 I CA 1.006 62.313 61.300 0.012 0.000 1.392 4690 I CB -0.318 37.691 38.000 0.015 0.000 1.065 4690 I HN 0.277 nan 8.210 nan 0.000 0.418 4691 E N 0.470 120.679 120.200 0.015 0.000 2.110 4691 E HA -0.156 4.194 4.350 0.000 0.000 0.193 4691 E C 2.431 179.038 176.600 0.012 0.000 0.988 4691 E CA 1.110 57.519 56.400 0.014 0.000 0.804 4691 E CB -0.273 29.437 29.700 0.018 0.000 0.745 4691 E HN 0.357 nan 8.360 nan 0.000 0.458 4692 V N 1.539 121.460 119.914 0.012 0.000 2.358 4692 V HA -0.232 3.888 4.120 0.000 0.000 0.246 4692 V C 2.462 178.560 176.094 0.006 0.000 1.047 4692 V CA 1.773 64.079 62.300 0.010 0.000 1.035 4692 V CB -0.820 31.008 31.823 0.009 0.000 0.658 4692 V HN 0.242 nan 8.190 nan 0.000 0.452 4693 A N -0.353 122.470 122.820 0.004 0.000 1.933 4693 A HA -0.217 4.103 4.320 0.000 0.000 0.218 4693 A C 2.284 179.870 177.584 0.004 0.000 1.175 4693 A CA 1.802 53.840 52.037 0.002 0.000 0.628 4693 A CB -0.397 18.604 19.000 0.001 0.000 0.814 4693 A HN 0.543 nan 8.150 nan 0.000 0.444 4694 K N -0.939 119.464 120.400 0.006 0.000 2.148 4694 K HA -0.062 4.258 4.320 0.000 0.000 0.204 4694 K C 1.987 178.591 176.600 0.005 0.000 1.050 4694 K CA 1.516 57.806 56.287 0.006 0.000 0.942 4694 K CB -0.278 32.227 32.500 0.007 0.000 0.724 4694 K HN 0.450 nan 8.250 nan 0.000 0.446 4695 T N 1.419 115.976 114.554 0.006 0.000 2.777 4695 T HA -0.115 4.235 4.350 0.000 0.000 0.266 4695 T C 1.810 176.513 174.700 0.005 0.000 1.040 4695 T CA 1.006 63.110 62.100 0.006 0.000 1.141 4695 T CB -0.032 68.841 68.868 0.008 0.000 0.868 4695 T HN 0.158 nan 8.240 nan 0.000 0.444 4696 Q N 0.745 120.547 119.800 0.004 0.000 2.124 4696 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 4696 Q C 2.349 178.350 176.000 0.002 0.000 0.977 4696 Q CA 1.322 57.127 55.803 0.002 0.000 0.850 4696 Q CB -0.408 28.330 28.738 0.000 0.000 0.901 4696 Q HN 0.553 nan 8.270 nan 0.000 0.429 4697 E N 1.372 121.573 120.200 0.002 0.000 2.051 4697 E HA -0.172 4.178 4.350 0.000 0.000 0.192 4697 E C 1.899 178.500 176.600 0.002 0.000 0.991 4697 E CA 1.389 57.791 56.400 0.002 0.000 0.799 4697 E CB -0.077 29.624 29.700 0.002 0.000 0.748 4697 E HN 0.054 nan 8.360 nan 0.000 0.449 4698 K N 0.055 120.456 120.400 0.002 0.000 2.057 4698 K HA -0.147 4.173 4.320 0.000 0.000 0.206 4698 K C 1.786 178.387 176.600 0.001 0.000 1.050 4698 K CA 1.378 57.666 56.287 0.001 0.000 0.935 4698 K CB 0.008 32.510 32.500 0.002 0.000 0.715 4698 K HN 0.155 nan 8.250 nan 0.000 0.439 4699 E N 0.070 120.271 120.200 0.002 0.000 2.033 4699 E HA -0.094 4.256 4.350 0.000 0.000 0.189 4699 E C 1.994 178.595 176.600 0.001 0.000 0.979 4699 E CA 1.684 58.085 56.400 0.002 0.000 0.802 4699 E CB 0.149 29.851 29.700 0.003 0.000 0.763 4699 E HN 0.340 nan 8.360 nan 0.000 0.449 4700 V N -4.821 115.094 119.914 0.001 0.000 3.562 4700 V HA 0.520 4.640 4.120 0.000 0.000 0.270 4700 V C 1.390 177.484 176.094 0.001 0.000 1.418 4700 V CA 0.856 63.157 62.300 0.001 0.000 1.033 4700 V CB 0.646 32.470 31.823 0.002 0.000 0.820 4700 V HN 0.301 nan 8.190 nan 0.000 0.441 4701 G N 0.762 109.563 108.800 0.001 0.000 4.365 4701 G HA2 -0.277 3.683 3.960 0.000 0.000 0.214 4701 G HA3 -0.277 3.683 3.960 0.000 0.000 0.214 4701 G C 0.161 175.062 174.900 0.002 0.000 1.450 4701 G CA 0.506 45.606 45.100 0.001 0.000 0.937 4701 G HN 0.627 nan 8.290 nan 0.000 0.625 4702 D N 1.170 121.572 120.400 0.003 0.000 2.506 4702 D HA 0.485 5.125 4.640 0.000 0.000 0.272 4702 D C 1.556 177.856 176.300 0.001 0.000 1.214 4702 D CA 1.171 55.173 54.000 0.003 0.000 1.067 4702 D CB 0.657 41.460 40.800 0.006 0.000 1.117 4702 D HN 1.622 nan 8.370 nan 0.000 0.578 4703 G N -0.494 108.306 108.800 -0.000 0.000 2.162 4703 G HA2 -0.341 3.619 3.960 0.000 0.000 0.260 4703 G HA3 -0.341 3.619 3.960 0.000 0.000 0.260 4703 G C 1.091 175.987 174.900 -0.007 0.000 0.976 4703 G CA 1.634 46.731 45.100 -0.004 0.000 0.655 4703 G HN 0.614 nan 8.290 nan 0.000 0.533 4704 T N -2.490 112.060 114.554 -0.006 0.000 2.674 4704 T HA -0.121 4.229 4.350 0.000 0.000 0.265 4704 T C 2.241 176.934 174.700 -0.012 0.000 1.039 4704 T CA 2.557 64.653 62.100 -0.007 0.000 1.150 4704 T CB -0.809 68.057 68.868 -0.004 0.000 0.864 4704 T HN 0.355 nan 8.240 nan 0.000 0.427 4705 T N 2.448 116.994 114.554 -0.012 0.000 2.720 4705 T HA -0.127 4.223 4.350 0.000 0.000 0.268 4705 T C 2.435 177.120 174.700 -0.025 0.000 1.037 4705 T CA 2.146 64.235 62.100 -0.018 0.000 1.144 4705 T CB -1.039 67.819 68.868 -0.016 0.000 0.864 4705 T HN 0.843 nan 8.240 nan 0.000 0.444 4706 T N 0.768 115.307 114.554 -0.024 0.000 2.867 4706 T HA 0.100 4.450 4.350 0.000 0.000 0.268 4706 T C 2.246 176.922 174.700 -0.039 0.000 1.057 4706 T CA 1.018 63.098 62.100 -0.033 0.000 1.136 4706 T CB -0.495 68.356 68.868 -0.028 0.000 0.874 4706 T HN 0.335 nan 8.240 nan 0.000 0.466 4707 A N 1.085 123.887 122.820 -0.030 0.000 1.930 4707 A HA 0.128 4.448 4.320 0.000 0.000 0.217 4707 A C 2.606 180.169 177.584 -0.035 0.000 1.175 4707 A CA 1.474 53.492 52.037 -0.031 0.000 0.627 4707 A CB -0.960 18.029 19.000 -0.018 0.000 0.815 4707 A HN 0.426 nan 8.150 nan 0.000 0.443 4708 V N -0.545 119.350 119.914 -0.031 0.000 2.358 4708 V HA -0.191 3.929 4.120 0.000 0.000 0.246 4708 V C 2.547 178.615 176.094 -0.044 0.000 1.047 4708 V CA 1.846 64.126 62.300 -0.032 0.000 1.035 4708 V CB -0.722 31.086 31.823 -0.025 0.000 0.658 4708 V HN 0.353 nan 8.190 nan 0.000 0.452 4709 V N -0.567 119.318 119.914 -0.047 0.000 2.307 4709 V HA -0.196 3.924 4.120 0.000 0.000 0.245 4709 V C 2.449 178.499 176.094 -0.074 0.000 1.045 4709 V CA 2.049 64.315 62.300 -0.055 0.000 1.024 4709 V CB -0.256 31.536 31.823 -0.051 0.000 0.651 4709 V HN 0.415 nan 8.190 nan 0.000 0.449 4710 V N -0.005 119.858 119.914 -0.086 0.000 2.515 4710 V HA -0.168 3.952 4.120 0.000 0.000 0.250 4710 V C 2.504 178.513 176.094 -0.142 0.000 1.058 4710 V CA 1.958 64.182 62.300 -0.126 0.000 1.064 4710 V CB -0.210 31.530 31.823 -0.138 0.000 0.675 4710 V HN 0.521 nan 8.190 nan 0.000 0.461 4711 A N -0.224 122.536 122.820 -0.100 0.000 1.929 4711 A HA 0.036 4.356 4.320 0.000 0.000 0.216 4711 A C 2.325 179.869 177.584 -0.067 0.000 1.176 4711 A CA 1.584 53.573 52.037 -0.080 0.000 0.628 4711 A CB -1.132 17.840 19.000 -0.046 0.000 0.816 4711 A HN 0.586 nan 8.150 nan 0.000 0.444 4712 G N -0.371 108.391 108.800 -0.064 0.000 2.418 4712 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 4712 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 4712 G C 1.472 176.337 174.900 -0.059 0.000 1.158 4712 G CA 1.310 46.377 45.100 -0.055 0.000 0.771 4712 G HN 0.555 nan 8.290 nan 0.000 0.545 4713 E N -0.039 120.115 120.200 -0.077 0.000 2.107 4713 E HA -0.034 4.316 4.350 0.000 0.000 0.191 4713 E C 2.279 178.825 176.600 -0.090 0.000 0.982 4713 E CA 0.384 56.734 56.400 -0.082 0.000 0.809 4713 E CB -0.395 29.245 29.700 -0.101 0.000 0.756 4713 E HN 0.251 nan 8.360 nan 0.000 0.459 4714 L N 0.154 121.298 121.223 -0.131 0.000 2.083 4714 L HA -0.086 4.254 4.340 0.000 0.000 0.209 4714 L C 1.995 178.861 176.870 -0.007 0.000 1.083 4714 L CA 1.596 56.337 54.840 -0.165 0.000 0.752 4714 L CB -0.369 41.539 42.059 -0.251 0.000 0.899 4714 L HN 0.262 nan 8.230 nan 0.000 0.433 4715 L N -1.183 120.044 121.223 0.005 0.000 2.109 4715 L HA -0.151 4.189 4.340 0.000 0.000 0.207 4715 L C 2.690 179.578 176.870 0.029 0.000 1.086 4715 L CA 1.012 55.877 54.840 0.041 0.000 0.760 4715 L CB -0.483 41.580 42.059 0.007 0.000 0.910 4715 L HN 0.242 nan 8.230 nan 0.000 0.437 4716 R N 0.717 121.217 120.500 -0.000 0.000 2.091 4716 R HA -0.145 4.195 4.340 0.000 0.000 0.238 4716 R C 2.199 178.511 176.300 0.020 0.000 1.136 4716 R CA 1.479 57.577 56.100 -0.003 0.000 0.959 4716 R CB -0.116 30.171 30.300 -0.022 0.000 0.856 4716 R HN 0.068 nan 8.270 nan 0.000 0.437 4717 K N -0.086 120.335 120.400 0.035 0.000 2.155 4717 K HA 0.082 4.402 4.320 0.000 0.000 0.203 4717 K C 1.922 178.605 176.600 0.139 0.000 1.052 4717 K CA 1.126 57.457 56.287 0.074 0.000 0.948 4717 K CB -0.221 32.318 32.500 0.065 0.000 0.728 4717 K HN 0.291 nan 8.250 nan 0.000 0.448 4718 A N 1.445 124.374 122.820 0.182 0.000 1.933 4718 A HA -0.190 4.130 4.320 0.000 0.000 0.218 4718 A C 2.128 179.747 177.584 0.058 0.000 1.175 4718 A CA 1.616 53.748 52.037 0.158 0.000 0.628 4718 A CB -0.350 18.768 19.000 0.197 0.000 0.814 4718 A HN 0.421 nan 8.150 nan 0.000 0.444 4719 E N -0.409 119.817 120.200 0.042 0.000 2.106 4719 E HA -0.195 4.155 4.350 0.000 0.000 0.192 4719 E C 1.739 178.346 176.600 0.012 0.000 0.984 4719 E CA 1.028 57.436 56.400 0.014 0.000 0.806 4719 E CB -0.036 29.666 29.700 0.003 0.000 0.750 4719 E HN 0.524 nan 8.360 nan 0.000 0.458 4720 E N 0.503 120.717 120.200 0.024 0.000 2.110 4720 E HA -0.172 4.178 4.350 0.000 0.000 0.193 4720 E C 2.243 178.854 176.600 0.019 0.000 0.988 4720 E CA 0.732 57.145 56.400 0.021 0.000 0.804 4720 E CB -0.144 29.574 29.700 0.029 0.000 0.745 4720 E HN 0.403 nan 8.360 nan 0.000 0.458 4721 L N 0.061 121.299 121.223 0.026 0.000 2.093 4721 L HA -0.163 4.177 4.340 0.000 0.000 0.208 4721 L C 2.293 179.157 176.870 -0.010 0.000 1.085 4721 L CA 0.361 55.207 54.840 0.010 0.000 0.755 4721 L CB -0.283 41.776 42.059 0.000 0.000 0.904 4721 L HN 0.120 nan 8.230 nan 0.000 0.435 4722 L N -0.183 121.032 121.223 -0.014 0.000 2.141 4722 L HA -0.208 4.132 4.340 0.000 0.000 0.209 4722 L C 2.070 178.930 176.870 -0.017 0.000 1.094 4722 L CA 1.665 56.490 54.840 -0.025 0.000 0.763 4722 L CB -0.800 41.243 42.059 -0.027 0.000 0.908 4722 L HN 0.225 nan 8.230 nan 0.000 0.437 4723 D N -1.371 119.025 120.400 -0.007 0.000 2.178 4723 D HA -0.169 4.471 4.640 0.000 0.000 0.202 4723 D C 1.900 178.199 176.300 -0.002 0.000 0.974 4723 D CA 0.753 54.751 54.000 -0.004 0.000 0.841 4723 D CB 0.225 41.024 40.800 -0.000 0.000 0.953 4723 D HN 0.217 nan 8.370 nan 0.000 0.478 4724 Q N 0.033 119.833 119.800 -0.000 0.000 2.444 4724 Q HA 0.056 4.396 4.340 0.000 0.000 0.206 4724 Q C 0.035 176.035 176.000 0.001 0.000 0.948 4724 Q CA 0.208 56.013 55.803 0.002 0.000 0.946 4724 Q CB 0.149 28.891 28.738 0.007 0.000 1.027 4724 Q HN 0.363 nan 8.270 nan 0.000 0.513 4725 N N -0.211 118.486 118.700 -0.005 0.000 2.780 4725 N HA -0.135 4.605 4.740 0.000 0.000 0.248 4725 N C -0.904 174.607 175.510 0.002 0.000 1.102 4725 N CA 0.404 53.450 53.050 -0.005 0.000 0.697 4725 N CB -1.768 36.721 38.487 0.003 0.000 1.028 4725 N HN 0.008 nan 8.380 nan 0.000 0.554 4726 V N 1.769 121.679 119.914 -0.006 0.000 2.408 4726 V HA 0.062 4.182 4.120 0.000 0.000 0.267 4726 V C 1.131 177.223 176.094 -0.004 0.000 1.047 4726 V CA -0.569 61.733 62.300 0.003 0.000 0.937 4726 V CB 1.126 32.942 31.823 -0.013 0.000 0.999 4726 V HN 0.287 nan 8.190 nan 0.000 0.472 4727 H N 8.312 127.361 119.070 -0.036 0.000 3.001 4727 H HA 0.026 4.582 4.556 0.000 0.000 0.334 4727 H C -1.666 173.632 175.328 -0.051 0.000 1.034 4727 H CA -1.130 54.897 56.048 -0.034 0.000 1.420 4727 H CB 1.604 31.349 29.762 -0.028 0.000 1.405 4727 H HN 0.383 nan 8.280 nan 0.000 0.593 4728 P HA -0.187 nan 4.420 nan 0.000 0.217 4728 P C 1.414 178.738 177.300 0.041 0.000 1.148 4728 P CA 2.558 65.593 63.100 -0.109 0.000 0.834 4728 P CB 0.023 31.622 31.700 -0.168 0.000 0.783 4729 T N -4.116 110.607 114.554 0.282 0.000 3.023 4729 T HA 0.000 4.350 4.350 0.000 0.000 0.266 4729 T C 1.753 176.481 174.700 0.047 0.000 1.093 4729 T CA 0.677 62.864 62.100 0.146 0.000 1.129 4729 T CB -1.041 67.896 68.868 0.114 0.000 0.899 4729 T HN 0.059 nan 8.240 nan 0.000 0.491 4730 I N 0.812 121.416 120.570 0.058 0.000 2.333 4730 I HA -0.048 4.122 4.170 0.000 0.000 0.246 4730 I C 2.622 178.685 176.117 -0.090 0.000 1.106 4730 I CA 0.475 61.768 61.300 -0.011 0.000 1.411 4730 I CB -0.331 37.675 38.000 0.010 0.000 1.082 4730 I HN 0.093 nan 8.210 nan 0.000 0.420 4731 V N 1.270 121.096 119.914 -0.147 0.000 2.255 4731 V HA -0.250 3.870 4.120 0.000 0.000 0.247 4731 V C 2.562 178.315 176.094 -0.569 0.000 1.051 4731 V CA 2.201 64.275 62.300 -0.377 0.000 1.018 4731 V CB -0.667 30.940 31.823 -0.361 0.000 0.641 4731 V HN 0.482 nan 8.190 nan 0.000 0.445 4732 V N -1.331 118.410 119.914 -0.289 0.000 2.809 4732 V HA -0.146 3.974 4.120 0.000 0.000 0.256 4732 V C 2.238 178.308 176.094 -0.041 0.000 1.080 4732 V CA 2.139 64.360 62.300 -0.132 0.000 1.102 4732 V CB -0.759 31.051 31.823 -0.021 0.000 0.705 4732 V HN 0.554 nan 8.190 nan 0.000 0.475 4733 K N 1.307 121.672 120.400 -0.057 0.000 2.025 4733 K HA -0.002 4.318 4.320 0.000 0.000 0.207 4733 K C 2.204 178.805 176.600 0.002 0.000 1.049 4733 K CA 1.666 57.942 56.287 -0.018 0.000 0.933 4733 K CB -0.816 31.671 32.500 -0.022 0.000 0.714 4733 K HN 0.526 nan 8.250 nan 0.000 0.438 4734 G N -0.150 108.644 108.800 -0.011 0.000 2.408 4734 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 4734 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 4734 G C 1.144 176.138 174.900 0.157 0.000 1.150 4734 G CA 0.556 45.695 45.100 0.064 0.000 0.776 4734 G HN 0.251 nan 8.290 nan 0.000 0.542 4735 Y N 0.398 120.674 120.300 -0.040 0.000 2.242 4735 Y HA -0.051 4.498 4.550 -0.000 0.000 0.291 4735 Y C 2.863 178.606 175.900 -0.260 0.000 1.137 4735 Y CA 1.010 59.038 58.100 -0.121 0.000 1.181 4735 Y CB -0.866 37.656 38.460 0.104 0.000 0.989 4735 Y HN 0.273 nan 8.280 nan 0.000 0.527 4736 Q N 0.309 120.140 119.800 0.052 0.000 2.083 4736 Q HA -0.037 4.303 4.340 0.000 0.000 0.198 4736 Q C 2.364 178.324 176.000 -0.067 0.000 0.969 4736 Q CA 1.687 57.486 55.803 -0.007 0.000 0.838 4736 Q CB -0.472 28.278 28.738 0.021 0.000 0.900 4736 Q HN 0.314 nan 8.270 nan 0.000 0.436 4737 A N 0.366 123.172 122.820 -0.024 0.000 1.877 4737 A HA -0.038 4.282 4.320 0.000 0.000 0.216 4737 A C 2.289 179.843 177.584 -0.050 0.000 1.186 4737 A CA 1.977 54.038 52.037 0.041 0.000 0.620 4737 A CB -1.222 17.873 19.000 0.158 0.000 0.822 4737 A HN 0.505 nan 8.150 nan 0.000 0.443 4738 A N -0.336 122.373 122.820 -0.186 0.000 1.930 4738 A HA 0.216 4.536 4.320 0.000 0.000 0.217 4738 A C 2.461 179.668 177.584 -0.628 0.000 1.175 4738 A CA 1.925 53.709 52.037 -0.421 0.000 0.627 4738 A CB -0.891 17.730 19.000 -0.632 0.000 0.815 4738 A HN 1.025 nan 8.150 nan 0.000 0.443 4739 A N -1.127 121.255 122.820 -0.730 0.000 1.930 4739 A HA -0.142 4.178 4.320 0.000 0.000 0.217 4739 A C 2.119 179.600 177.584 -0.172 0.000 1.175 4739 A CA 1.521 53.344 52.037 -0.357 0.000 0.627 4739 A CB -0.396 18.480 19.000 -0.207 0.000 0.815 4739 A HN 0.477 nan 8.150 nan 0.000 0.443 4740 Q N -0.296 119.401 119.800 -0.172 0.000 2.084 4740 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 4740 Q C 2.054 177.956 176.000 -0.163 0.000 0.978 4740 Q CA 1.868 57.597 55.803 -0.123 0.000 0.844 4740 Q CB -0.369 28.316 28.738 -0.089 0.000 0.898 4740 Q HN 0.613 nan 8.270 nan 0.000 0.426 4741 K N 0.979 121.211 120.400 -0.280 0.000 2.097 4741 K HA 0.011 4.332 4.320 0.000 0.000 0.205 4741 K C 1.832 178.306 176.600 -0.210 0.000 1.050 4741 K CA 1.206 57.279 56.287 -0.357 0.000 0.938 4741 K CB -0.448 31.578 32.500 -0.790 0.000 0.718 4741 K HN 0.122 nan 8.250 nan 0.000 0.442 4742 A N 0.618 123.345 122.820 -0.155 0.000 1.933 4742 A HA -0.211 4.109 4.320 0.000 0.000 0.218 4742 A C 2.079 179.647 177.584 -0.026 0.000 1.175 4742 A CA 1.693 53.706 52.037 -0.040 0.000 0.628 4742 A CB -0.516 18.525 19.000 0.068 0.000 0.814 4742 A HN 0.510 nan 8.150 nan 0.000 0.444 4743 Q N -0.632 119.145 119.800 -0.039 0.000 2.079 4743 Q HA -0.190 4.150 4.340 0.000 0.000 0.200 4743 Q C 1.980 177.961 176.000 -0.031 0.000 0.974 4743 Q CA 1.604 57.392 55.803 -0.025 0.000 0.840 4743 Q CB -0.180 28.542 28.738 -0.026 0.000 0.898 4743 Q HN 0.774 nan 8.270 nan 0.000 0.430 4744 E N 0.524 120.692 120.200 -0.053 0.000 2.106 4744 E HA -0.157 4.193 4.350 0.000 0.000 0.192 4744 E C 2.045 178.623 176.600 -0.036 0.000 0.984 4744 E CA 0.738 57.109 56.400 -0.048 0.000 0.806 4744 E CB -0.026 29.633 29.700 -0.069 0.000 0.750 4744 E HN 0.307 nan 8.360 nan 0.000 0.458 4745 L N 0.567 121.765 121.223 -0.042 0.000 2.056 4745 L HA -0.191 4.149 4.340 0.000 0.000 0.207 4745 L C 2.436 179.304 176.870 -0.003 0.000 1.078 4745 L CA 0.891 55.719 54.840 -0.020 0.000 0.749 4745 L CB -0.326 41.722 42.059 -0.019 0.000 0.901 4745 L HN 0.169 nan 8.230 nan 0.000 0.433 4746 L N -0.444 120.778 121.223 -0.002 0.000 2.056 4746 L HA -0.205 4.135 4.340 0.000 0.000 0.207 4746 L C 2.597 179.469 176.870 0.003 0.000 1.078 4746 L CA 1.336 56.179 54.840 0.006 0.000 0.749 4746 L CB -0.429 41.634 42.059 0.007 0.000 0.901 4746 L HN 0.206 nan 8.230 nan 0.000 0.433 4747 K N -0.731 119.667 120.400 -0.003 0.000 2.148 4747 K HA -0.097 4.223 4.320 0.000 0.000 0.204 4747 K C 2.050 178.649 176.600 -0.002 0.000 1.050 4747 K CA 1.529 57.814 56.287 -0.003 0.000 0.942 4747 K CB -0.169 32.327 32.500 -0.007 0.000 0.724 4747 K HN 0.276 nan 8.250 nan 0.000 0.446 4748 T N 1.943 116.495 114.554 -0.003 0.000 2.777 4748 T HA -0.072 4.278 4.350 0.000 0.000 0.266 4748 T C 1.859 176.561 174.700 0.003 0.000 1.040 4748 T CA 1.261 63.360 62.100 -0.001 0.000 1.141 4748 T CB -0.127 68.740 68.868 -0.002 0.000 0.868 4748 T HN 0.385 nan 8.240 nan 0.000 0.444 4749 I N -0.325 120.250 120.570 0.008 0.000 3.578 4749 I HA 0.451 4.621 4.170 0.000 0.000 0.295 4749 I C 1.036 177.158 176.117 0.009 0.000 1.280 4749 I CA -0.554 60.753 61.300 0.011 0.000 1.347 4749 I CB -0.457 37.557 38.000 0.024 0.000 1.051 4749 I HN -0.055 nan 8.210 nan 0.000 0.460 4750 A N 1.578 124.402 122.820 0.007 0.000 2.548 4750 A HA 0.101 4.421 4.320 0.000 0.000 0.247 4750 A C 0.161 177.747 177.584 0.004 0.000 1.067 4750 A CA -0.016 52.024 52.037 0.006 0.000 0.757 4750 A CB -0.280 18.722 19.000 0.003 0.000 0.996 4750 A HN 0.642 nan 8.150 nan 0.000 0.504 4751 C N 3.611 122.913 119.300 0.004 0.000 2.265 4751 C HA 0.473 4.933 4.460 0.000 0.000 0.332 4751 C C 0.494 175.484 174.990 0.001 0.000 1.248 4751 C CA -0.585 58.434 59.018 0.002 0.000 1.727 4751 C CB -0.799 26.942 27.740 0.002 0.000 2.348 4751 C HN 0.930 nan 8.230 nan 0.000 0.519 4752 E N 3.843 124.043 120.200 -0.000 0.000 2.316 4752 E HA 0.498 4.848 4.350 0.000 0.000 0.275 4752 E C -0.294 176.305 176.600 -0.001 0.000 1.029 4752 E CA -0.200 56.199 56.400 -0.001 0.000 0.871 4752 E CB 0.860 30.559 29.700 -0.001 0.000 1.022 4752 E HN 0.727 nan 8.360 nan 0.000 0.418 4753 V N 0.976 120.889 119.914 -0.001 0.000 3.102 4753 V HA 0.733 4.853 4.120 0.000 0.000 0.312 4753 V C 0.362 176.455 176.094 -0.002 0.000 1.135 4753 V CA -0.784 61.514 62.300 -0.002 0.000 1.022 4753 V CB 1.533 33.355 31.823 -0.002 0.000 1.056 4753 V HN 0.714 nan 8.190 nan 0.000 0.436 4754 G N 0.519 109.318 108.800 -0.003 0.000 2.343 4754 G HA2 0.466 4.426 3.960 0.000 0.000 0.254 4754 G HA3 0.466 4.426 3.960 0.000 0.000 0.254 4754 G C 0.986 175.884 174.900 -0.003 0.000 1.277 4754 G CA 0.172 45.270 45.100 -0.003 0.000 0.909 4754 G HN 1.658 nan 8.290 nan 0.000 0.502 4755 A N 2.474 125.293 122.820 -0.002 0.000 1.978 4755 A HA -0.099 4.221 4.320 0.000 0.000 0.220 4755 A C 2.067 179.650 177.584 -0.003 0.000 1.170 4755 A CA 1.970 54.005 52.037 -0.002 0.000 0.636 4755 A CB -0.091 18.908 19.000 -0.002 0.000 0.810 4755 A HN 0.764 nan 8.150 nan 0.000 0.448 4756 Q N -0.227 119.572 119.800 -0.002 0.000 2.175 4756 Q HA 0.299 4.639 4.340 0.000 0.000 0.225 4756 Q C -0.415 175.583 176.000 -0.003 0.000 0.837 4756 Q CA 0.164 55.965 55.803 -0.002 0.000 1.032 4756 Q CB -0.678 28.059 28.738 -0.002 0.000 1.137 4756 Q HN 0.430 nan 8.270 nan 0.000 0.483 4757 D N 0.890 121.289 120.400 -0.003 0.000 2.346 4757 D HA 0.044 4.684 4.640 0.000 0.000 0.260 4757 D C 0.997 177.294 176.300 -0.004 0.000 1.252 4757 D CA -0.070 53.928 54.000 -0.003 0.000 0.895 4757 D CB 0.901 41.699 40.800 -0.004 0.000 1.097 4757 D HN 0.078 nan 8.370 nan 0.000 0.489 4758 K N 3.621 124.018 120.400 -0.004 0.000 2.052 4758 K HA -0.303 4.017 4.320 0.000 0.000 0.215 4758 K C 1.553 178.149 176.600 -0.006 0.000 1.053 4758 K CA 2.193 58.477 56.287 -0.005 0.000 0.934 4758 K CB -0.208 32.290 32.500 -0.004 0.000 0.717 4758 K HN 0.676 nan 8.250 nan 0.000 0.450 4759 E N -0.533 119.663 120.200 -0.007 0.000 2.021 4759 E HA -0.227 4.123 4.350 0.000 0.000 0.200 4759 E C 2.010 178.604 176.600 -0.009 0.000 1.015 4759 E CA 1.766 58.161 56.400 -0.008 0.000 0.824 4759 E CB -0.298 29.397 29.700 -0.008 0.000 0.762 4759 E HN 0.345 nan 8.360 nan 0.000 0.454 4760 I N 0.552 121.118 120.570 -0.007 0.000 2.614 4760 I HA -0.189 3.981 4.170 0.000 0.000 0.258 4760 I C 1.946 178.059 176.117 -0.006 0.000 1.189 4760 I CA 0.624 61.920 61.300 -0.007 0.000 1.462 4760 I CB -0.067 37.930 38.000 -0.005 0.000 1.092 4760 I HN 0.213 nan 8.210 nan 0.000 0.442 4761 L N 0.034 121.253 121.223 -0.006 0.000 2.093 4761 L HA -0.172 4.168 4.340 0.000 0.000 0.208 4761 L C 2.654 179.519 176.870 -0.007 0.000 1.085 4761 L CA 2.373 57.210 54.840 -0.006 0.000 0.755 4761 L CB -1.410 40.646 42.059 -0.005 0.000 0.904 4761 L HN 0.476 nan 8.230 nan 0.000 0.435 4762 T N -4.833 109.716 114.554 -0.009 0.000 3.014 4762 T HA -0.080 4.270 4.350 0.000 0.000 0.263 4762 T C 1.909 176.601 174.700 -0.014 0.000 1.078 4762 T CA 0.525 62.618 62.100 -0.011 0.000 1.135 4762 T CB -0.101 68.760 68.868 -0.012 0.000 0.895 4762 T HN 0.189 nan 8.240 nan 0.000 0.480 4763 K N 0.521 120.913 120.400 -0.014 0.000 2.062 4763 K HA 0.118 4.438 4.320 0.000 0.000 0.205 4763 K C 2.136 178.729 176.600 -0.012 0.000 1.051 4763 K CA 0.824 57.101 56.287 -0.016 0.000 0.941 4763 K CB -0.156 32.335 32.500 -0.015 0.000 0.719 4763 K HN 0.236 nan 8.250 nan 0.000 0.440 4764 I N 1.338 121.904 120.570 -0.007 0.000 2.202 4764 I HA -0.202 3.968 4.170 0.000 0.000 0.242 4764 I C 2.501 178.617 176.117 -0.002 0.000 1.091 4764 I CA 1.193 62.492 61.300 -0.003 0.000 1.368 4764 I CB -1.359 36.640 38.000 -0.002 0.000 1.058 4764 I HN 0.092 nan 8.210 nan 0.000 0.410 4765 A N 0.724 123.541 122.820 -0.004 0.000 1.865 4765 A HA -0.247 4.073 4.320 0.000 0.000 0.217 4765 A C 2.412 179.994 177.584 -0.004 0.000 1.191 4765 A CA 1.992 54.027 52.037 -0.004 0.000 0.623 4765 A CB -0.623 18.374 19.000 -0.006 0.000 0.826 4765 A HN 0.353 nan 8.150 nan 0.000 0.444 4766 M N -0.325 119.269 119.600 -0.010 0.000 2.099 4766 M HA -0.132 4.348 4.480 0.000 0.000 0.262 4766 M C 2.439 178.732 176.300 -0.011 0.000 1.067 4766 M CA 2.031 57.321 55.300 -0.016 0.000 1.124 4766 M CB -0.681 31.900 32.600 -0.032 0.000 1.353 4766 M HN 0.718 nan 8.290 nan 0.000 0.410 4767 T N -2.754 111.795 114.554 -0.008 0.000 2.867 4767 T HA -0.099 4.251 4.350 0.000 0.000 0.268 4767 T C 1.889 176.606 174.700 0.030 0.000 1.057 4767 T CA 1.645 63.750 62.100 0.009 0.000 1.136 4767 T CB -0.464 68.410 68.868 0.010 0.000 0.874 4767 T HN 0.286 nan 8.240 nan 0.000 0.466 4768 S N 0.973 116.684 115.700 0.019 0.000 2.355 4768 S HA 0.042 4.512 4.470 0.000 0.000 0.222 4768 S C 1.990 176.607 174.600 0.027 0.000 1.031 4768 S CA 0.862 59.075 58.200 0.022 0.000 0.993 4768 S CB -0.603 62.604 63.200 0.012 0.000 0.859 4768 S HN 0.589 nan 8.310 nan 0.000 0.453 4769 I N 1.718 122.302 120.570 0.022 0.000 2.361 4769 I HA -0.108 4.063 4.170 0.000 0.000 0.251 4769 I C 1.218 177.362 176.117 0.045 0.000 1.133 4769 I CA 0.871 62.186 61.300 0.025 0.000 1.413 4769 I CB -0.907 37.102 38.000 0.015 0.000 1.073 4769 I HN 0.426 nan 8.210 nan 0.000 0.424 4770 T N -0.542 114.050 114.554 0.064 0.000 2.932 4770 T HA 0.315 4.665 4.350 0.000 0.000 0.312 4770 T C 1.169 175.947 174.700 0.130 0.000 1.071 4770 T CA 0.100 62.276 62.100 0.127 0.000 1.128 4770 T CB 1.272 70.258 68.868 0.196 0.000 0.984 4770 T HN 0.604 nan 8.240 nan 0.000 0.549 4771 G N 1.324 110.210 108.800 0.143 0.000 2.176 4771 G HA2 -0.216 3.744 3.960 0.000 0.000 0.253 4771 G HA3 -0.216 3.744 3.960 0.000 0.000 0.253 4771 G C -0.039 174.886 174.900 0.043 0.000 0.979 4771 G CA 0.353 45.495 45.100 0.070 0.000 0.641 4771 G HN 0.913 nan 8.290 nan 0.000 0.530 4772 K N -0.462 119.969 120.400 0.051 0.000 2.185 4772 K HA 0.681 5.001 4.320 0.000 0.000 0.240 4772 K C 1.586 178.208 176.600 0.037 0.000 0.983 4772 K CA 0.124 56.432 56.287 0.036 0.000 0.873 4772 K CB 0.841 33.360 32.500 0.032 0.000 1.118 4772 K HN 0.195 nan 8.250 nan 0.000 0.441 4773 G N 0.200 109.018 108.800 0.029 0.000 2.432 4773 G HA2 -0.226 3.734 3.960 0.000 0.000 0.219 4773 G HA3 -0.226 3.734 3.960 0.000 0.000 0.219 4773 G C 1.179 176.096 174.900 0.029 0.000 1.135 4773 G CA 1.024 46.141 45.100 0.028 0.000 0.767 4773 G HN 0.577 nan 8.290 nan 0.000 0.550 4774 A N 0.504 123.340 122.820 0.027 0.000 2.172 4774 A HA 0.081 4.401 4.320 0.000 0.000 0.216 4774 A C 1.988 179.586 177.584 0.024 0.000 1.154 4774 A CA 1.654 53.705 52.037 0.023 0.000 0.701 4774 A CB -0.338 18.674 19.000 0.019 0.000 0.789 4774 A HN 0.507 nan 8.150 nan 0.000 0.465 4775 E N 1.189 121.409 120.200 0.034 0.000 2.171 4775 E HA -0.297 4.053 4.350 0.000 0.000 0.197 4775 E C 1.880 178.496 176.600 0.026 0.000 0.997 4775 E CA 1.671 58.093 56.400 0.037 0.000 0.810 4775 E CB -0.202 29.539 29.700 0.069 0.000 0.738 4775 E HN 0.802 nan 8.360 nan 0.000 0.467 4776 K N -0.459 119.958 120.400 0.028 0.000 2.218 4776 K HA -0.122 4.198 4.320 0.000 0.000 0.205 4776 K C 1.240 177.848 176.600 0.012 0.000 1.046 4776 K CA 1.493 57.792 56.287 0.021 0.000 0.933 4776 K CB -0.018 32.495 32.500 0.022 0.000 0.728 4776 K HN 0.105 nan 8.250 nan 0.000 0.454 4777 A N 1.803 124.630 122.820 0.011 0.000 2.606 4777 A HA 0.136 4.456 4.320 0.000 0.000 0.290 4777 A C 1.369 178.954 177.584 0.002 0.000 1.174 4777 A CA -0.542 51.498 52.037 0.006 0.000 0.958 4777 A CB -0.015 18.990 19.000 0.008 0.000 1.194 4777 A HN 0.423 nan 8.150 nan 0.000 0.526 4778 K N 0.154 120.554 120.400 0.000 0.000 2.281 4778 K HA -0.188 4.132 4.320 0.000 0.000 0.203 4778 K C 0.863 177.457 176.600 -0.010 0.000 1.046 4778 K CA 1.871 58.155 56.287 -0.004 0.000 0.938 4778 K CB -0.096 32.399 32.500 -0.009 0.000 0.737 4778 K HN 0.317 nan 8.250 nan 0.000 0.458 4779 E N 1.500 121.693 120.200 -0.011 0.000 2.046 4779 E HA -0.137 4.213 4.350 0.000 0.000 0.190 4779 E C 1.915 178.510 176.600 -0.008 0.000 0.982 4779 E CA 1.302 57.694 56.400 -0.013 0.000 0.800 4779 E CB -0.049 29.643 29.700 -0.013 0.000 0.756 4779 E HN 0.267 nan 8.360 nan 0.000 0.449 4780 K N 0.212 120.609 120.400 -0.005 0.000 2.097 4780 K HA -0.066 4.254 4.320 0.000 0.000 0.205 4780 K C 1.656 178.254 176.600 -0.003 0.000 1.050 4780 K CA 0.721 57.006 56.287 -0.003 0.000 0.938 4780 K CB -0.199 32.301 32.500 0.000 0.000 0.718 4780 K HN -0.008 nan 8.250 nan 0.000 0.442 4781 L N 0.516 121.737 121.223 -0.003 0.000 2.056 4781 L HA 0.015 4.355 4.340 0.000 0.000 0.207 4781 L C 2.283 179.150 176.870 -0.005 0.000 1.078 4781 L CA 1.975 56.813 54.840 -0.003 0.000 0.749 4781 L CB -1.182 40.877 42.059 -0.000 0.000 0.901 4781 L HN 0.269 nan 8.230 nan 0.000 0.433 4782 A N -0.972 121.844 122.820 -0.006 0.000 1.933 4782 A HA -0.258 4.062 4.320 0.000 0.000 0.218 4782 A C 2.355 179.934 177.584 -0.008 0.000 1.175 4782 A CA 1.799 53.831 52.037 -0.008 0.000 0.628 4782 A CB -0.543 18.451 19.000 -0.011 0.000 0.814 4782 A HN 0.500 nan 8.150 nan 0.000 0.444 4783 E N -0.226 119.970 120.200 -0.008 0.000 2.077 4783 E HA -0.160 4.190 4.350 0.000 0.000 0.193 4783 E C 1.875 178.470 176.600 -0.007 0.000 0.989 4783 E CA 1.229 57.625 56.400 -0.007 0.000 0.800 4783 E CB -0.215 29.481 29.700 -0.006 0.000 0.746 4783 E HN 0.663 nan 8.360 nan 0.000 0.452 4784 I N 0.343 120.909 120.570 -0.007 0.000 2.226 4784 I HA -0.265 3.905 4.170 0.000 0.000 0.245 4784 I C 2.117 178.227 176.117 -0.011 0.000 1.100 4784 I CA 0.738 62.033 61.300 -0.009 0.000 1.374 4784 I CB -0.073 37.922 38.000 -0.009 0.000 1.057 4784 I HN 0.200 nan 8.210 nan 0.000 0.413 4785 I N -0.450 120.114 120.570 -0.009 0.000 2.406 4785 I HA -0.161 4.009 4.170 0.000 0.000 0.249 4785 I C 2.295 178.407 176.117 -0.009 0.000 1.122 4785 I CA 1.073 62.368 61.300 -0.009 0.000 1.431 4785 I CB -0.303 37.693 38.000 -0.007 0.000 1.087 4785 I HN -0.072 nan 8.210 nan 0.000 0.424 4786 V N 0.229 120.138 119.914 -0.008 0.000 2.358 4786 V HA -0.245 3.875 4.120 0.000 0.000 0.246 4786 V C 2.501 178.591 176.094 -0.007 0.000 1.047 4786 V CA 1.862 64.159 62.300 -0.007 0.000 1.035 4786 V CB -0.523 31.296 31.823 -0.006 0.000 0.658 4786 V HN 0.401 nan 8.190 nan 0.000 0.452 4787 E N 0.826 121.021 120.200 -0.007 0.000 2.072 4787 E HA -0.143 4.207 4.350 0.000 0.000 0.191 4787 E C 2.133 178.727 176.600 -0.009 0.000 0.985 4787 E CA 1.597 57.992 56.400 -0.007 0.000 0.801 4787 E CB -0.462 29.233 29.700 -0.008 0.000 0.750 4787 E HN 0.489 nan 8.360 nan 0.000 0.452 4788 A N 0.077 122.890 122.820 -0.012 0.000 1.877 4788 A HA -0.145 4.175 4.320 0.000 0.000 0.216 4788 A C 2.510 180.087 177.584 -0.013 0.000 1.186 4788 A CA 1.746 53.773 52.037 -0.016 0.000 0.620 4788 A CB -0.847 18.141 19.000 -0.019 0.000 0.822 4788 A HN 0.205 nan 8.150 nan 0.000 0.443 4789 V N -0.515 119.393 119.914 -0.010 0.000 2.307 4789 V HA -0.197 3.923 4.120 0.000 0.000 0.245 4789 V C 2.816 178.906 176.094 -0.006 0.000 1.045 4789 V CA 2.272 64.567 62.300 -0.008 0.000 1.024 4789 V CB -0.713 31.105 31.823 -0.007 0.000 0.651 4789 V HN 0.668 nan 8.190 nan 0.000 0.449 4790 S N -0.091 115.606 115.700 -0.004 0.000 2.370 4790 S HA -0.207 4.263 4.470 0.000 0.000 0.226 4790 S C 2.119 176.720 174.600 0.002 0.000 1.033 4790 S CA 1.704 59.904 58.200 -0.001 0.000 1.011 4790 S CB -0.330 62.870 63.200 -0.000 0.000 0.852 4790 S HN 0.616 nan 8.310 nan 0.000 0.457 4791 A N 0.716 123.536 122.820 0.000 0.000 1.933 4791 A HA -0.006 4.314 4.320 0.000 0.000 0.218 4791 A C 2.319 179.906 177.584 0.005 0.000 1.175 4791 A CA 1.861 53.900 52.037 0.004 0.000 0.628 4791 A CB -0.787 18.211 19.000 -0.003 0.000 0.814 4791 A HN 0.987 nan 8.150 nan 0.000 0.444 4792 V N -3.842 116.071 119.914 -0.002 0.000 3.307 4792 V HA 0.090 4.210 4.120 0.000 0.000 0.253 4792 V C 1.996 178.088 176.094 -0.003 0.000 1.149 4792 V CA 1.159 63.456 62.300 -0.004 0.000 1.112 4792 V CB -0.248 31.568 31.823 -0.011 0.000 0.777 4792 V HN 0.171 nan 8.190 nan 0.000 0.464 4793 V N 0.501 120.414 119.914 -0.003 0.000 2.453 4793 V HA -0.033 4.088 4.120 0.000 0.000 0.247 4793 V C 1.627 177.719 176.094 -0.002 0.000 1.048 4793 V CA 2.520 64.818 62.300 -0.003 0.000 1.049 4793 V CB -0.276 31.545 31.823 -0.003 0.000 0.672 4793 V HN 0.810 nan 8.190 nan 0.000 0.457 4794 D N -0.616 119.785 120.400 0.001 0.000 4.438 4794 D HA -0.218 4.422 4.640 0.000 0.000 0.158 4794 D C 0.601 176.899 176.300 -0.004 0.000 0.686 4794 D CA 1.946 55.946 54.000 0.000 0.000 1.183 4794 D CB -1.304 39.494 40.800 -0.003 0.000 0.623 4794 D HN 0.574 nan 8.370 nan 0.000 0.521 4795 D N 1.462 121.858 120.400 -0.007 0.000 2.384 4795 D HA 0.262 4.902 4.640 0.000 0.000 0.244 4795 D C -0.302 175.994 176.300 -0.006 0.000 1.251 4795 D CA 0.307 54.302 54.000 -0.008 0.000 0.961 4795 D CB 0.420 41.215 40.800 -0.010 0.000 1.116 4795 D HN 0.219 nan 8.370 nan 0.000 0.484 4796 E N -0.134 120.062 120.200 -0.006 0.000 2.400 4796 E HA 0.565 4.915 4.350 0.000 0.000 0.232 4796 E C -0.261 176.336 176.600 -0.005 0.000 0.988 4796 E CA -0.657 55.740 56.400 -0.005 0.000 0.823 4796 E CB 0.779 30.477 29.700 -0.004 0.000 1.246 4796 E HN 0.497 nan 8.360 nan 0.000 0.441 4797 G N 1.736 110.533 108.800 -0.005 0.000 2.339 4797 G HA2 0.211 4.171 3.960 0.000 0.000 0.302 4797 G HA3 0.211 4.171 3.960 0.000 0.000 0.302 4797 G C -1.781 173.117 174.900 -0.004 0.000 1.425 4797 G CA -0.814 44.283 45.100 -0.005 0.000 0.899 4797 G HN 0.063 nan 8.290 nan 0.000 0.619 4798 K N 0.312 120.709 120.400 -0.005 0.000 2.550 4798 K HA 0.543 4.863 4.320 0.000 0.000 0.252 4798 K C -1.345 175.253 176.600 -0.005 0.000 0.943 4798 K CA -0.539 55.745 56.287 -0.004 0.000 0.806 4798 K CB 2.196 34.693 32.500 -0.005 0.000 1.289 4798 K HN 0.601 nan 8.250 nan 0.000 0.435 4799 V N 3.324 123.235 119.914 -0.005 0.000 2.370 4799 V HA 0.261 4.381 4.120 0.000 0.000 0.279 4799 V C -0.310 175.780 176.094 -0.006 0.000 1.029 4799 V CA -0.689 61.608 62.300 -0.005 0.000 0.870 4799 V CB 1.370 33.190 31.823 -0.005 0.000 0.984 4799 V HN 0.624 nan 8.190 nan 0.000 0.451 4800 D N 3.812 124.207 120.400 -0.007 0.000 2.453 4800 D HA 0.305 4.945 4.640 0.000 0.000 0.238 4800 D C 0.864 177.158 176.300 -0.010 0.000 1.088 4800 D CA -0.537 53.458 54.000 -0.008 0.000 0.854 4800 D CB 1.598 42.393 40.800 -0.009 0.000 1.076 4800 D HN 0.423 nan 8.370 nan 0.000 0.533 4801 K N 1.965 122.360 120.400 -0.010 0.000 2.360 4801 K HA -0.150 4.170 4.320 0.000 0.000 0.201 4801 K C 0.906 177.497 176.600 -0.014 0.000 1.046 4801 K CA 0.809 57.089 56.287 -0.011 0.000 0.945 4801 K CB 0.242 32.736 32.500 -0.009 0.000 0.750 4801 K HN 0.344 nan 8.250 nan 0.000 0.464 4802 D N 0.785 121.177 120.400 -0.014 0.000 2.310 4802 D HA -0.082 4.558 4.640 0.000 0.000 0.212 4802 D C 1.260 177.547 176.300 -0.022 0.000 0.965 4802 D CA 0.642 54.631 54.000 -0.017 0.000 0.879 4802 D CB 0.137 40.928 40.800 -0.015 0.000 0.921 4802 D HN 0.118 nan 8.370 nan 0.000 0.510 4803 L N -0.155 121.055 121.223 -0.021 0.000 2.554 4803 L HA 0.156 4.496 4.340 0.000 0.000 0.226 4803 L C 0.349 177.202 176.870 -0.029 0.000 1.137 4803 L CA 0.205 55.030 54.840 -0.024 0.000 0.863 4803 L CB 0.075 42.123 42.059 -0.019 0.000 0.985 4803 L HN 0.022 nan 8.230 nan 0.000 0.451 4804 I N 0.650 121.204 120.570 -0.028 0.000 2.390 4804 I HA 0.171 4.341 4.170 0.000 0.000 0.283 4804 I C 0.108 176.204 176.117 -0.035 0.000 1.016 4804 I CA -0.347 60.934 61.300 -0.032 0.000 1.151 4804 I CB 1.416 39.401 38.000 -0.025 0.000 1.293 4804 I HN -0.033 nan 8.210 nan 0.000 0.458 4805 K N 6.814 127.186 120.400 -0.046 0.000 2.276 4805 K HA 0.400 4.720 4.320 0.000 0.000 0.283 4805 K C -0.647 175.924 176.600 -0.049 0.000 1.044 4805 K CA -0.516 55.741 56.287 -0.049 0.000 0.944 4805 K CB 0.876 33.338 32.500 -0.064 0.000 1.012 4805 K HN 0.456 nan 8.250 nan 0.000 0.472 4806 I N 4.323 124.870 120.570 -0.039 0.000 2.307 4806 I HA 0.155 4.325 4.170 0.000 0.000 0.287 4806 I C -0.139 175.958 176.117 -0.033 0.000 1.054 4806 I CA -0.551 60.729 61.300 -0.034 0.000 1.218 4806 I CB 0.685 38.671 38.000 -0.024 0.000 1.398 4806 I HN 0.674 nan 8.210 nan 0.000 0.475 4807 E N 7.301 127.477 120.200 -0.040 0.000 2.216 4807 E HA 0.474 4.824 4.350 0.000 0.000 0.279 4807 E C -0.734 175.857 176.600 -0.016 0.000 0.997 4807 E CA -0.588 55.793 56.400 -0.030 0.000 0.817 4807 E CB 1.046 30.718 29.700 -0.046 0.000 1.096 4807 E HN 0.542 nan 8.360 nan 0.000 0.393 4808 K N 2.883 123.279 120.400 -0.007 0.000 2.541 4808 K HA 0.562 4.882 4.320 0.000 0.000 0.250 4808 K C -1.030 175.574 176.600 0.005 0.000 0.950 4808 K CA -1.087 55.199 56.287 -0.002 0.000 0.805 4808 K CB 1.510 34.004 32.500 -0.010 0.000 1.166 4808 K HN 0.092 nan 8.250 nan 0.000 0.430 4809 K N 2.042 122.451 120.400 0.015 0.000 2.578 4809 K HA 0.197 4.517 4.320 0.000 0.000 0.250 4809 K C -0.895 175.717 176.600 0.019 0.000 0.955 4809 K CA -0.652 55.648 56.287 0.022 0.000 0.825 4809 K CB 2.045 34.570 32.500 0.042 0.000 1.151 4809 K HN 0.776 nan 8.250 nan 0.000 0.432 4810 S N 1.278 116.986 115.700 0.012 0.000 2.568 4810 S HA 0.504 4.974 4.470 0.000 0.000 0.282 4810 S C 0.358 174.969 174.600 0.019 0.000 1.338 4810 S CA 1.269 59.478 58.200 0.014 0.000 1.045 4810 S CB 0.152 63.359 63.200 0.011 0.000 0.873 4810 S HN 0.873 nan 8.310 nan 0.000 0.516 4811 G N 1.673 110.486 108.800 0.020 0.000 2.465 4811 G HA2 0.509 4.469 3.960 0.000 0.000 0.681 4811 G HA3 0.509 4.469 3.960 0.000 0.000 0.681 4811 G C -0.085 174.828 174.900 0.021 0.000 1.340 4811 G CA -0.050 45.062 45.100 0.020 0.000 0.884 4811 G HN 2.157 nan 8.290 nan 0.000 0.650 4812 A N -0.571 122.260 122.820 0.019 0.000 6.088 4812 A HA 0.393 4.713 4.320 0.000 0.000 0.261 4812 A C 1.120 178.715 177.584 0.018 0.000 2.138 4812 A CA 1.932 53.980 52.037 0.018 0.000 0.708 4812 A CB -1.621 17.392 19.000 0.022 0.000 1.068 4812 A HN 2.723 nan 8.150 nan 0.000 0.364 4813 S N -2.789 112.922 115.700 0.018 0.000 2.811 4813 S HA 0.703 5.173 4.470 0.000 0.000 0.311 4813 S C 1.122 175.733 174.600 0.018 0.000 1.152 4813 S CA 0.148 58.358 58.200 0.017 0.000 0.864 4813 S CB 1.307 64.516 63.200 0.015 0.000 1.226 4813 S HN 1.564 nan 8.310 nan 0.000 0.541 4814 I N 1.305 121.885 120.570 0.016 0.000 2.614 4814 I HA -0.094 4.076 4.170 0.000 0.000 0.258 4814 I C 0.877 177.002 176.117 0.014 0.000 1.189 4814 I CA 1.278 62.587 61.300 0.015 0.000 1.462 4814 I CB -0.086 37.922 38.000 0.015 0.000 1.092 4814 I HN 0.585 nan 8.210 nan 0.000 0.442 4815 D N 1.025 121.433 120.400 0.013 0.000 2.178 4815 D HA -0.181 4.459 4.640 0.000 0.000 0.201 4815 D C 1.438 177.746 176.300 0.014 0.000 0.980 4815 D CA 1.305 55.312 54.000 0.012 0.000 0.842 4815 D CB -0.249 40.558 40.800 0.011 0.000 0.948 4815 D HN 0.480 nan 8.370 nan 0.000 0.472 4816 D N -0.523 119.887 120.400 0.017 0.000 2.347 4816 D HA -0.022 4.618 4.640 0.000 0.000 0.215 4816 D C 0.265 176.580 176.300 0.025 0.000 0.976 4816 D CA 0.453 54.467 54.000 0.022 0.000 0.884 4816 D CB -0.002 40.813 40.800 0.025 0.000 0.915 4816 D HN -0.026 nan 8.370 nan 0.000 0.526 4817 T N 1.096 115.662 114.554 0.019 0.000 2.933 4817 T HA 0.170 4.520 4.350 0.000 0.000 0.306 4817 T C 0.122 174.829 174.700 0.012 0.000 1.045 4817 T CA 0.525 62.634 62.100 0.015 0.000 1.143 4817 T CB 0.655 69.528 68.868 0.010 0.000 1.003 4817 T HN 0.038 nan 8.240 nan 0.000 0.540 4818 E N 1.791 121.997 120.200 0.009 0.000 2.390 4818 E HA 0.520 4.871 4.350 0.000 0.000 0.280 4818 E C -1.948 174.644 176.600 -0.013 0.000 0.992 4818 E CA -0.800 55.602 56.400 0.004 0.000 0.790 4818 E CB 1.038 30.750 29.700 0.019 0.000 1.248 4818 E HN 0.349 nan 8.360 nan 0.000 0.447 4819 L N 3.623 124.836 121.223 -0.017 0.000 2.292 4819 L HA 0.599 4.939 4.340 0.000 0.000 0.284 4819 L C -1.141 175.705 176.870 -0.040 0.000 1.065 4819 L CA -0.216 54.604 54.840 -0.033 0.000 0.806 4819 L CB 0.830 42.874 42.059 -0.026 0.000 1.175 4819 L HN 0.577 nan 8.230 nan 0.000 0.431 4820 I N 5.554 126.081 120.570 -0.071 0.000 2.382 4820 I HA 0.304 4.474 4.170 0.000 0.000 0.285 4820 I C -0.135 175.935 176.117 -0.078 0.000 1.007 4820 I CA -0.493 60.757 61.300 -0.083 0.000 1.142 4820 I CB 1.189 39.088 38.000 -0.168 0.000 1.289 4820 I HN 0.315 nan 8.210 nan 0.000 0.453 4821 K N 5.804 126.174 120.400 -0.049 0.000 2.081 4821 K HA 0.516 4.836 4.320 0.000 0.000 0.230 4821 K C 0.458 177.030 176.600 -0.048 0.000 1.199 4821 K CA -0.049 56.212 56.287 -0.044 0.000 1.130 4821 K CB -0.212 32.269 32.500 -0.032 0.000 1.386 4821 K HN 0.968 nan 8.250 nan 0.000 0.280 4822 G N -0.695 108.064 108.800 -0.068 0.000 2.455 4822 G HA2 0.122 4.082 3.960 0.000 0.000 0.223 4822 G HA3 0.122 4.082 3.960 0.000 0.000 0.223 4822 G C -1.637 173.197 174.900 -0.110 0.000 1.226 4822 G CA -0.720 44.337 45.100 -0.072 0.000 0.948 4822 G HN 0.086 nan 8.290 nan 0.000 0.478 4823 V N 0.445 120.284 119.914 -0.125 0.000 2.588 4823 V HA 0.636 4.756 4.120 0.000 0.000 0.304 4823 V C -0.806 175.174 176.094 -0.189 0.000 1.042 4823 V CA -0.627 61.581 62.300 -0.154 0.000 0.877 4823 V CB 1.560 33.291 31.823 -0.153 0.000 0.996 4823 V HN 0.608 nan 8.190 nan 0.000 0.425 4824 L N 5.208 126.286 121.223 -0.242 0.000 2.255 4824 L HA 0.491 4.831 4.340 0.000 0.000 0.289 4824 L C -0.091 176.733 176.870 -0.077 0.000 1.046 4824 L CA 0.165 54.839 54.840 -0.277 0.000 0.816 4824 L CB 1.473 43.245 42.059 -0.480 0.000 1.197 4824 L HN 0.438 nan 8.230 nan 0.000 0.427 4825 V N 2.686 122.623 119.914 0.038 0.000 2.394 4825 V HA 0.237 4.357 4.120 0.000 0.000 0.282 4825 V C 0.119 176.292 176.094 0.133 0.000 1.031 4825 V CA -0.784 61.556 62.300 0.066 0.000 0.881 4825 V CB 1.568 33.448 31.823 0.095 0.000 0.982 4825 V HN 0.781 nan 8.190 nan 0.000 0.451 4826 D N 3.775 124.230 120.400 0.091 0.000 3.085 4826 D HA 0.176 4.816 4.640 0.000 0.000 0.243 4826 D C 0.117 176.471 176.300 0.090 0.000 1.232 4826 D CA -0.256 53.799 54.000 0.092 0.000 0.913 4826 D CB 0.137 40.973 40.800 0.060 0.000 1.108 4826 D HN 0.268 nan 8.370 nan 0.000 0.468 4827 K N 0.458 120.928 120.400 0.117 0.000 2.409 4827 K HA 0.421 4.741 4.320 0.000 0.000 0.252 4827 K C 0.351 177.007 176.600 0.093 0.000 1.036 4827 K CA -0.651 55.700 56.287 0.107 0.000 0.871 4827 K CB 2.263 34.851 32.500 0.146 0.000 1.374 4827 K HN 0.308 nan 8.250 nan 0.000 0.459 4828 E N 0.733 120.970 120.200 0.062 0.000 2.378 4828 E HA 0.394 4.744 4.350 0.000 0.000 0.265 4828 E C -0.683 175.925 176.600 0.014 0.000 0.932 4828 E CA -0.906 55.515 56.400 0.035 0.000 0.795 4828 E CB 1.244 30.957 29.700 0.021 0.000 1.296 4828 E HN 0.217 nan 8.360 nan 0.000 0.438 4829 R N 1.244 121.743 120.500 -0.002 0.000 2.296 4829 R HA 0.108 4.448 4.340 0.000 0.000 0.323 4829 R C 1.362 177.653 176.300 -0.015 0.000 1.067 4829 R CA 0.223 56.310 56.100 -0.022 0.000 0.946 4829 R CB 0.461 30.747 30.300 -0.023 0.000 0.991 4829 R HN 0.559 nan 8.270 nan 0.000 0.448 4830 V N -0.044 119.857 119.914 -0.022 0.000 2.720 4830 V HA -0.075 4.045 4.120 0.000 0.000 0.256 4830 V C 0.904 177.000 176.094 0.002 0.000 1.082 4830 V CA 1.078 63.371 62.300 -0.011 0.000 1.101 4830 V CB -0.224 31.588 31.823 -0.019 0.000 0.693 4830 V HN 0.524 nan 8.190 nan 0.000 0.479 4831 S N -1.003 114.698 115.700 0.000 0.000 2.526 4831 S HA 0.773 5.244 4.470 0.000 0.000 0.293 4831 S C 0.843 175.443 174.600 -0.000 0.000 1.092 4831 S CA -0.120 58.087 58.200 0.012 0.000 0.980 4831 S CB 1.874 65.089 63.200 0.026 0.000 1.048 4831 S HN 0.711 nan 8.310 nan 0.000 0.483 4832 A N 3.266 126.085 122.820 -0.001 0.000 2.070 4832 A HA -0.043 4.277 4.320 0.000 0.000 0.220 4832 A C 1.776 179.353 177.584 -0.013 0.000 1.159 4832 A CA 1.259 53.291 52.037 -0.009 0.000 0.656 4832 A CB -0.477 18.516 19.000 -0.012 0.000 0.800 4832 A HN 0.899 nan 8.150 nan 0.000 0.453 4833 Q N -1.030 118.763 119.800 -0.012 0.000 2.424 4833 Q HA 0.196 4.536 4.340 0.000 0.000 0.204 4833 Q C 0.214 176.208 176.000 -0.010 0.000 0.933 4833 Q CA -0.019 55.776 55.803 -0.014 0.000 0.929 4833 Q CB 0.027 28.754 28.738 -0.018 0.000 1.037 4833 Q HN 0.658 nan 8.270 nan 0.000 0.511 4834 M N 1.518 121.112 119.600 -0.010 0.000 2.250 4834 M HA 0.222 4.702 4.480 0.000 0.000 0.344 4834 M C -2.138 174.154 176.300 -0.014 0.000 1.150 4834 M CA -2.023 53.269 55.300 -0.013 0.000 1.147 4834 M CB 0.387 32.975 32.600 -0.020 0.000 1.498 4834 M HN -0.191 nan 8.290 nan 0.000 0.461 4835 P HA -0.021 nan 4.420 nan 0.000 0.269 4835 P C -0.157 177.135 177.300 -0.014 0.000 1.211 4835 P CA 0.055 63.148 63.100 -0.012 0.000 0.781 4835 P CB 0.489 32.183 31.700 -0.009 0.000 0.877 4836 K N 1.032 121.424 120.400 -0.013 0.000 2.379 4836 K HA 0.056 4.376 4.320 0.000 0.000 0.194 4836 K C 0.486 177.079 176.600 -0.012 0.000 1.031 4836 K CA 0.808 57.086 56.287 -0.016 0.000 1.037 4836 K CB 0.143 32.631 32.500 -0.019 0.000 0.824 4836 K HN 0.577 nan 8.250 nan 0.000 0.516 4837 K N -0.779 119.618 120.400 -0.005 0.000 2.557 4837 K HA 0.381 4.701 4.320 0.000 0.000 0.257 4837 K C -1.260 175.345 176.600 0.008 0.000 0.933 4837 K CA -0.733 55.557 56.287 0.005 0.000 0.820 4837 K CB 1.985 34.486 32.500 0.002 0.000 1.330 4837 K HN -0.285 nan 8.250 nan 0.000 0.432 4838 V N 2.047 121.972 119.914 0.018 0.000 2.483 4838 V HA 0.429 4.549 4.120 0.000 0.000 0.297 4838 V C -0.282 175.829 176.094 0.027 0.000 1.027 4838 V CA -0.527 61.784 62.300 0.019 0.000 0.855 4838 V CB 1.837 33.670 31.823 0.017 0.000 0.995 4838 V HN 0.998 nan 8.190 nan 0.000 0.424 4839 T N 0.079 114.646 114.554 0.021 0.000 2.929 4839 T HA 0.541 4.891 4.350 0.000 0.000 0.284 4839 T C 0.125 174.838 174.700 0.021 0.000 1.014 4839 T CA -0.276 61.838 62.100 0.022 0.000 1.051 4839 T CB 1.296 70.173 68.868 0.016 0.000 1.028 4839 T HN 0.769 nan 8.240 nan 0.000 0.485 4840 D N 0.336 120.749 120.400 0.022 0.000 2.689 4840 D HA -0.153 4.487 4.640 0.000 0.000 0.237 4840 D C 0.301 176.616 176.300 0.026 0.000 1.148 4840 D CA 0.840 54.852 54.000 0.020 0.000 0.656 4840 D CB -1.252 39.557 40.800 0.015 0.000 1.050 4840 D HN 1.103 nan 8.370 nan 0.000 0.426 4841 A N 1.409 124.250 122.820 0.035 0.000 2.477 4841 A HA 0.377 4.697 4.320 0.000 0.000 0.246 4841 A C 0.542 178.153 177.584 0.046 0.000 1.078 4841 A CA 0.145 52.208 52.037 0.044 0.000 0.770 4841 A CB 0.595 19.633 19.000 0.064 0.000 1.011 4841 A HN 0.156 nan 8.150 nan 0.000 0.494 4842 K N 3.179 123.604 120.400 0.043 0.000 2.347 4842 K HA 0.400 4.720 4.320 0.000 0.000 0.262 4842 K C -0.941 175.694 176.600 0.058 0.000 1.052 4842 K CA 0.158 56.471 56.287 0.044 0.000 0.946 4842 K CB 0.927 33.446 32.500 0.031 0.000 1.220 4842 K HN 0.638 nan 8.250 nan 0.000 0.450 4843 I N 2.033 122.653 120.570 0.083 0.000 2.353 4843 I HA 0.287 4.457 4.170 0.000 0.000 0.293 4843 I C 0.273 176.458 176.117 0.114 0.000 0.992 4843 I CA -0.657 60.723 61.300 0.133 0.000 1.268 4843 I CB 1.589 39.709 38.000 0.199 0.000 1.387 4843 I HN 0.433 nan 8.210 nan 0.000 0.478 4844 A N 7.674 130.565 122.820 0.119 0.000 2.337 4844 A HA 0.840 5.160 4.320 0.000 0.000 0.329 4844 A C -0.779 176.891 177.584 0.143 0.000 1.146 4844 A CA -0.545 51.550 52.037 0.097 0.000 0.800 4844 A CB 0.934 19.968 19.000 0.057 0.000 1.220 4844 A HN 0.703 nan 8.150 nan 0.000 0.472 4845 L N 3.152 124.439 121.223 0.107 0.000 2.345 4845 L HA 0.419 4.759 4.340 0.000 0.000 0.274 4845 L C -0.980 175.933 176.870 0.072 0.000 0.999 4845 L CA -0.090 54.815 54.840 0.108 0.000 0.849 4845 L CB 1.026 43.130 42.059 0.075 0.000 1.220 4845 L HN 0.564 nan 8.230 nan 0.000 0.422 4846 L N 3.352 124.620 121.223 0.075 0.000 2.307 4846 L HA 0.381 4.721 4.340 0.000 0.000 0.284 4846 L C 0.721 177.621 176.870 0.049 0.000 1.023 4846 L CA -0.502 54.369 54.840 0.051 0.000 0.810 4846 L CB 1.761 43.845 42.059 0.043 0.000 1.231 4846 L HN 0.623 nan 8.230 nan 0.000 0.423 4847 N N 0.747 119.468 118.700 0.035 0.000 2.322 4847 N HA -0.021 4.719 4.740 0.000 0.000 0.181 4847 N C 0.445 175.969 175.510 0.025 0.000 1.088 4847 N CA -0.277 52.791 53.050 0.030 0.000 0.885 4847 N CB -0.304 38.197 38.487 0.023 0.000 1.013 4847 N HN 0.586 nan 8.380 nan 0.000 0.472 4848 C N 0.245 119.559 119.300 0.022 0.000 2.595 4848 C HA 0.849 5.309 4.460 0.000 0.000 0.384 4848 C C 0.949 175.950 174.990 0.019 0.000 1.289 4848 C CA -1.449 57.580 59.018 0.018 0.000 2.372 4848 C CB -0.179 27.570 27.740 0.015 0.000 2.593 4848 C HN 0.479 nan 8.230 nan 0.000 0.639 4849 A N 2.435 125.265 122.820 0.015 0.000 2.401 4849 A HA 0.596 4.916 4.320 0.000 0.000 0.259 4849 A C 0.040 177.631 177.584 0.012 0.000 1.103 4849 A CA -0.516 51.529 52.037 0.014 0.000 0.789 4849 A CB -0.161 18.845 19.000 0.011 0.000 1.035 4849 A HN 0.879 nan 8.150 nan 0.000 0.491 4850 I N 2.837 123.413 120.570 0.011 0.000 2.317 4850 I HA 0.266 4.436 4.170 0.000 0.000 0.286 4850 I C -0.285 175.838 176.117 0.009 0.000 1.119 4850 I CA -0.061 61.246 61.300 0.011 0.000 1.228 4850 I CB -0.209 37.798 38.000 0.011 0.000 1.476 4850 I HN 0.828 nan 8.210 nan 0.000 0.514 4851 E N 3.913 124.119 120.200 0.010 0.000 2.445 4851 E HA 0.544 4.894 4.350 0.000 0.000 0.273 4851 E C -0.694 175.916 176.600 0.016 0.000 0.961 4851 E CA -1.045 55.361 56.400 0.010 0.000 0.807 4851 E CB 1.128 30.830 29.700 0.004 0.000 1.362 4851 E HN 0.095 nan 8.360 nan 0.000 0.453 4852 I N 1.466 122.048 120.570 0.020 0.000 2.573 4852 I HA 0.071 4.241 4.170 0.000 0.000 0.295 4852 I C 0.208 176.337 176.117 0.019 0.000 1.141 4852 I CA 0.113 61.428 61.300 0.025 0.000 1.364 4852 I CB -0.731 37.289 38.000 0.032 0.000 1.447 4852 I HN 0.375 nan 8.210 nan 0.000 0.571 4853 K N 7.159 127.569 120.400 0.017 0.000 2.412 4853 K HA 0.143 4.463 4.320 0.000 0.000 0.281 4853 K C -0.034 176.576 176.600 0.017 0.000 1.027 4853 K CA 0.049 56.345 56.287 0.014 0.000 0.989 4853 K CB 0.407 32.914 32.500 0.012 0.000 0.935 4853 K HN 0.688 nan 8.250 nan 0.000 0.475 4854 E N 1.642 121.850 120.200 0.013 0.000 2.227 4854 E HA 0.251 4.601 4.350 0.000 0.000 0.268 4854 E C -0.746 175.860 176.600 0.010 0.000 0.907 4854 E CA -1.110 55.298 56.400 0.013 0.000 0.786 4854 E CB 1.371 31.076 29.700 0.008 0.000 1.191 4854 E HN 0.487 nan 8.360 nan 0.000 0.411 4855 T N 1.060 115.621 114.554 0.011 0.000 2.906 4855 T HA -0.038 4.312 4.350 0.000 0.000 0.320 4855 T C 0.729 175.433 174.700 0.006 0.000 1.088 4855 T CA 0.145 62.250 62.100 0.009 0.000 1.120 4855 T CB 0.513 69.387 68.868 0.011 0.000 1.000 4855 T HN 0.589 nan 8.240 nan 0.000 0.550 4856 E N 1.373 121.576 120.200 0.006 0.000 2.153 4856 E HA 0.020 4.370 4.350 0.000 0.000 0.194 4856 E C 1.270 177.872 176.600 0.003 0.000 0.988 4856 E CA 1.275 57.678 56.400 0.004 0.000 0.811 4856 E CB -0.333 29.369 29.700 0.004 0.000 0.746 4856 E HN 0.868 nan 8.360 nan 0.000 0.466 4857 T N -0.709 113.847 114.554 0.003 0.000 2.868 4857 T HA 0.095 4.445 4.350 0.000 0.000 0.292 4857 T C 0.207 174.907 174.700 0.000 0.000 1.028 4857 T CA -0.915 61.187 62.100 0.002 0.000 1.059 4857 T CB 1.072 69.942 68.868 0.004 0.000 0.991 4857 T HN -0.174 nan 8.240 nan 0.000 0.531 4858 D N 1.068 121.467 120.400 -0.001 0.000 2.382 4858 D HA 0.431 5.071 4.640 0.000 0.000 0.259 4858 D C -0.345 175.952 176.300 -0.005 0.000 1.224 4858 D CA 0.175 54.173 54.000 -0.004 0.000 0.894 4858 D CB -0.149 40.648 40.800 -0.005 0.000 1.127 4858 D HN 0.938 nan 8.370 nan 0.000 0.487 4859 A N 3.704 126.518 122.820 -0.009 0.000 2.587 4859 A HA 0.724 5.044 4.320 0.000 0.000 0.293 4859 A C -1.062 176.507 177.584 -0.026 0.000 1.087 4859 A CA -0.802 51.227 52.037 -0.012 0.000 0.692 4859 A CB 1.498 20.496 19.000 -0.003 0.000 1.291 4859 A HN 0.614 nan 8.150 nan 0.000 0.407 4860 E N 0.487 120.663 120.200 -0.040 0.000 2.392 4860 E HA 0.593 4.943 4.350 0.000 0.000 0.279 4860 E C -1.598 174.931 176.600 -0.118 0.000 0.964 4860 E CA -0.913 55.444 56.400 -0.072 0.000 0.777 4860 E CB 1.086 30.747 29.700 -0.065 0.000 1.249 4860 E HN 0.317 nan 8.360 nan 0.000 0.449 4861 I N 1.794 122.240 120.570 -0.207 0.000 2.556 4861 I HA 0.101 4.271 4.170 0.000 0.000 0.284 4861 I C 0.174 176.088 176.117 -0.339 0.000 1.114 4861 I CA -0.000 61.045 61.300 -0.425 0.000 1.418 4861 I CB 0.291 37.861 38.000 -0.717 0.000 1.394 4861 I HN 0.343 nan 8.210 nan 0.000 0.552 4862 R N 7.057 127.388 120.500 -0.282 0.000 2.332 4862 R HA 0.381 4.721 4.340 0.000 0.000 0.306 4862 R C -0.675 175.592 176.300 -0.056 0.000 1.117 4862 R CA -0.861 55.168 56.100 -0.117 0.000 1.108 4862 R CB 0.382 30.666 30.300 -0.027 0.000 1.126 4862 R HN 0.418 nan 8.270 nan 0.000 0.548 4863 I N 2.689 123.212 120.570 -0.079 0.000 2.648 4863 I HA -0.050 4.120 4.170 0.000 0.000 0.284 4863 I C 1.707 177.867 176.117 0.071 0.000 1.153 4863 I CA 0.790 62.112 61.300 0.038 0.000 1.426 4863 I CB 0.641 38.645 38.000 0.008 0.000 1.381 4863 I HN 0.536 nan 8.210 nan 0.000 0.571 4864 T N -0.123 114.501 114.554 0.116 0.000 2.975 4864 T HA 0.218 4.568 4.350 0.000 0.000 0.261 4864 T C 0.241 174.978 174.700 0.062 0.000 0.984 4864 T CA -0.232 61.915 62.100 0.078 0.000 0.911 4864 T CB 0.748 69.665 68.868 0.081 0.000 1.127 4864 T HN 0.616 nan 8.240 nan 0.000 0.514 4865 D N 0.462 120.906 120.400 0.074 0.000 2.769 4865 D HA 0.275 4.915 4.640 0.000 0.000 0.219 4865 D C -2.559 173.776 176.300 0.059 0.000 1.245 4865 D CA -1.477 52.554 54.000 0.053 0.000 0.801 4865 D CB 2.540 43.364 40.800 0.041 0.000 1.598 4865 D HN -0.325 nan 8.370 nan 0.000 0.485 4866 P HA -0.135 nan 4.420 nan 0.000 0.218 4866 P C 0.950 178.276 177.300 0.043 0.000 1.146 4866 P CA 1.611 64.735 63.100 0.040 0.000 0.820 4866 P CB 0.303 32.019 31.700 0.027 0.000 0.778 4867 A N -0.623 122.219 122.820 0.037 0.000 1.873 4867 A HA -0.181 4.139 4.320 0.000 0.000 0.215 4867 A C 2.128 179.736 177.584 0.039 0.000 1.186 4867 A CA 1.726 53.781 52.037 0.029 0.000 0.616 4867 A CB -0.939 18.070 19.000 0.014 0.000 0.823 4867 A HN 0.027 nan 8.150 nan 0.000 0.442 4868 K N -0.525 119.910 120.400 0.059 0.000 2.152 4868 K HA -0.077 4.243 4.320 0.000 0.000 0.206 4868 K C 1.700 178.449 176.600 0.247 0.000 1.048 4868 K CA 0.961 57.306 56.287 0.097 0.000 0.933 4868 K CB -0.520 32.074 32.500 0.156 0.000 0.721 4868 K HN 0.397 nan 8.250 nan 0.000 0.447 4869 L N 0.167 121.507 121.223 0.195 0.000 2.043 4869 L HA -0.200 4.141 4.340 0.000 0.000 0.212 4869 L C 1.749 178.718 176.870 0.165 0.000 1.075 4869 L CA 1.823 56.771 54.840 0.179 0.000 0.752 4869 L CB -0.264 41.850 42.059 0.092 0.000 0.891 4869 L HN 0.215 nan 8.230 nan 0.000 0.432 4870 M N -1.285 118.380 119.600 0.108 0.000 2.236 4870 M HA -0.111 4.369 4.480 0.000 0.000 0.266 4870 M C 2.211 178.548 176.300 0.061 0.000 1.070 4870 M CA 1.280 56.624 55.300 0.074 0.000 1.137 4870 M CB -1.093 31.533 32.600 0.044 0.000 1.378 4870 M HN 0.395 nan 8.290 nan 0.000 0.426 4871 E N 0.068 120.284 120.200 0.026 0.000 2.085 4871 E HA -0.189 4.161 4.350 0.000 0.000 0.194 4871 E C 1.900 178.446 176.600 -0.090 0.000 0.994 4871 E CA 1.283 57.642 56.400 -0.068 0.000 0.801 4871 E CB -0.040 29.562 29.700 -0.164 0.000 0.743 4871 E HN 0.384 nan 8.360 nan 0.000 0.453 4872 F N 0.494 120.449 119.950 0.010 0.000 2.134 4872 F HA -0.140 4.387 4.527 0.000 0.000 0.299 4872 F C 2.213 178.021 175.800 0.014 0.000 1.097 4872 F CA 0.933 58.940 58.000 0.010 0.000 1.264 4872 F CB -0.068 38.938 39.000 0.009 0.000 1.001 4872 F HN 0.055 nan 8.300 nan 0.000 0.479 4873 I N -0.319 120.374 120.570 0.205 0.000 2.226 4873 I HA -0.232 3.938 4.170 0.000 0.000 0.245 4873 I C 2.254 178.427 176.117 0.093 0.000 1.100 4873 I CA 1.141 62.517 61.300 0.127 0.000 1.374 4873 I CB -0.371 37.687 38.000 0.096 0.000 1.057 4873 I HN 0.095 nan 8.210 nan 0.000 0.413 4874 E N 0.278 120.519 120.200 0.069 0.000 2.150 4874 E HA -0.257 4.093 4.350 0.000 0.000 0.193 4874 E C 2.018 178.637 176.600 0.030 0.000 0.985 4874 E CA 0.974 57.402 56.400 0.045 0.000 0.814 4874 E CB -0.201 29.513 29.700 0.023 0.000 0.752 4874 E HN 0.433 nan 8.360 nan 0.000 0.466 4875 Q N 1.200 121.010 119.800 0.017 0.000 2.084 4875 Q HA -0.152 4.188 4.340 0.000 0.000 0.202 4875 Q C 1.826 177.843 176.000 0.029 0.000 0.978 4875 Q CA 1.356 57.158 55.803 -0.002 0.000 0.844 4875 Q CB 0.040 28.753 28.738 -0.041 0.000 0.898 4875 Q HN 0.096 nan 8.270 nan 0.000 0.426 4876 E N 0.219 120.459 120.200 0.067 0.000 2.150 4876 E HA -0.149 4.201 4.350 0.000 0.000 0.193 4876 E C 1.822 178.461 176.600 0.065 0.000 0.985 4876 E CA 0.882 57.325 56.400 0.070 0.000 0.814 4876 E CB 0.001 29.755 29.700 0.089 0.000 0.752 4876 E HN 0.487 nan 8.360 nan 0.000 0.466 4877 E N 0.925 121.174 120.200 0.082 0.000 2.072 4877 E HA -0.162 4.188 4.350 0.000 0.000 0.191 4877 E C 2.024 178.635 176.600 0.018 0.000 0.985 4877 E CA 0.737 57.212 56.400 0.125 0.000 0.801 4877 E CB -0.147 29.645 29.700 0.153 0.000 0.750 4877 E HN 0.222 nan 8.360 nan 0.000 0.452 4878 K N 0.507 120.898 120.400 -0.014 0.000 2.057 4878 K HA -0.092 4.228 4.320 0.000 0.000 0.207 4878 K C 2.282 178.820 176.600 -0.102 0.000 1.049 4878 K CA 1.073 57.317 56.287 -0.072 0.000 0.931 4878 K CB -0.043 32.431 32.500 -0.042 0.000 0.714 4878 K HN 0.014 nan 8.250 nan 0.000 0.440 4879 M N 0.427 119.994 119.600 -0.055 0.000 2.065 4879 M HA -0.212 4.268 4.480 0.000 0.000 0.259 4879 M C 2.214 178.466 176.300 -0.079 0.000 1.069 4879 M CA 1.387 56.659 55.300 -0.048 0.000 1.110 4879 M CB -0.300 32.294 32.600 -0.009 0.000 1.328 4879 M HN 0.191 nan 8.290 nan 0.000 0.405 4880 L N 0.225 121.399 121.223 -0.082 0.000 2.109 4880 L HA -0.095 4.245 4.340 0.000 0.000 0.207 4880 L C 2.278 178.971 176.870 -0.296 0.000 1.086 4880 L CA 1.783 56.572 54.840 -0.086 0.000 0.760 4880 L CB -0.619 41.474 42.059 0.058 0.000 0.910 4880 L HN 0.173 nan 8.230 nan 0.000 0.437 4881 K N -0.665 119.353 120.400 -0.638 0.000 2.063 4881 K HA -0.204 4.116 4.320 0.000 0.000 0.208 4881 K C 1.590 177.959 176.600 -0.386 0.000 1.048 4881 K CA 1.819 57.546 56.287 -0.934 0.000 0.928 4881 K CB -0.060 31.909 32.500 -0.886 0.000 0.713 4881 K HN 0.335 nan 8.250 nan 0.000 0.442 4882 D N 0.368 120.626 120.400 -0.237 0.000 2.144 4882 D HA -0.129 4.511 4.640 0.000 0.000 0.200 4882 D C 1.906 178.149 176.300 -0.096 0.000 0.978 4882 D CA 1.111 55.032 54.000 -0.132 0.000 0.833 4882 D CB -0.048 40.697 40.800 -0.092 0.000 0.961 4882 D HN 0.295 nan 8.370 nan 0.000 0.470 4883 M N 0.031 119.575 119.600 -0.093 0.000 2.080 4883 M HA -0.155 4.325 4.480 0.000 0.000 0.260 4883 M C 2.275 178.551 176.300 -0.040 0.000 1.068 4883 M CA 1.079 56.347 55.300 -0.053 0.000 1.109 4883 M CB -0.212 32.365 32.600 -0.038 0.000 1.342 4883 M HN -0.103 nan 8.290 nan 0.000 0.405 4884 V N 0.193 120.074 119.914 -0.054 0.000 2.427 4884 V HA -0.200 3.920 4.120 0.000 0.000 0.248 4884 V C 2.590 178.671 176.094 -0.022 0.000 1.051 4884 V CA 1.801 64.090 62.300 -0.019 0.000 1.048 4884 V CB -1.115 30.719 31.823 0.018 0.000 0.666 4884 V HN 0.521 nan 8.190 nan 0.000 0.456 4885 A N -0.427 122.363 122.820 -0.051 0.000 1.978 4885 A HA -0.200 4.120 4.320 0.000 0.000 0.220 4885 A C 2.189 179.758 177.584 -0.024 0.000 1.170 4885 A CA 1.618 53.633 52.037 -0.037 0.000 0.636 4885 A CB -0.318 18.649 19.000 -0.056 0.000 0.810 4885 A HN 0.536 nan 8.150 nan 0.000 0.448 4886 E N -0.120 120.065 120.200 -0.025 0.000 2.107 4886 E HA -0.074 4.276 4.350 0.000 0.000 0.191 4886 E C 1.980 178.576 176.600 -0.007 0.000 0.982 4886 E CA 0.835 57.226 56.400 -0.015 0.000 0.809 4886 E CB -0.359 29.331 29.700 -0.016 0.000 0.756 4886 E HN 0.742 nan 8.360 nan 0.000 0.459 4887 I N 1.351 121.918 120.570 -0.005 0.000 2.226 4887 I HA -0.247 3.923 4.170 0.000 0.000 0.245 4887 I C 2.636 178.755 176.117 0.004 0.000 1.100 4887 I CA 1.041 62.343 61.300 0.002 0.000 1.374 4887 I CB -0.257 37.745 38.000 0.004 0.000 1.057 4887 I HN -0.019 nan 8.210 nan 0.000 0.413 4888 K N 1.662 122.064 120.400 0.002 0.000 2.057 4888 K HA -0.141 4.179 4.320 0.000 0.000 0.207 4888 K C 2.125 178.727 176.600 0.003 0.000 1.049 4888 K CA 1.758 58.048 56.287 0.004 0.000 0.931 4888 K CB -0.241 32.262 32.500 0.005 0.000 0.714 4888 K HN 0.296 nan 8.250 nan 0.000 0.440 4889 A N 0.624 123.444 122.820 -0.000 0.000 2.019 4889 A HA -0.107 4.213 4.320 0.000 0.000 0.219 4889 A C 2.202 179.788 177.584 0.003 0.000 1.164 4889 A CA 1.962 53.999 52.037 -0.000 0.000 0.644 4889 A CB -0.468 18.530 19.000 -0.004 0.000 0.805 4889 A HN 0.380 nan 8.150 nan 0.000 0.449 4890 S N -1.720 113.983 115.700 0.005 0.000 2.419 4890 S HA 0.205 4.675 4.470 0.000 0.000 0.233 4890 S C 1.647 176.254 174.600 0.011 0.000 1.016 4890 S CA 1.304 59.509 58.200 0.008 0.000 0.974 4890 S CB -0.200 63.006 63.200 0.010 0.000 0.786 4890 S HN 1.675 nan 8.310 nan 0.000 0.492 4891 G N 0.667 109.473 108.800 0.010 0.000 2.179 4891 G HA2 -0.122 3.838 3.960 0.000 0.000 0.220 4891 G HA3 -0.122 3.838 3.960 0.000 0.000 0.220 4891 G C 0.135 175.043 174.900 0.014 0.000 0.990 4891 G CA -0.124 44.983 45.100 0.011 0.000 0.646 4891 G HN 0.859 nan 8.290 nan 0.000 0.517 4892 A N 0.509 123.337 122.820 0.014 0.000 2.425 4892 A HA 0.598 4.918 4.320 0.000 0.000 0.249 4892 A C 1.081 178.670 177.584 0.008 0.000 1.084 4892 A CA 1.034 53.081 52.037 0.016 0.000 0.781 4892 A CB 0.256 19.266 19.000 0.017 0.000 1.019 4892 A HN 1.217 nan 8.150 nan 0.000 0.490 4893 N N 0.051 118.755 118.700 0.007 0.000 2.067 4893 N HA 0.113 4.853 4.740 0.000 0.000 0.227 4893 N C -0.857 174.639 175.510 -0.022 0.000 1.348 4893 N CA 0.209 53.257 53.050 -0.004 0.000 0.879 4893 N CB 0.311 38.800 38.487 0.003 0.000 1.109 4893 N HN 0.260 nan 8.380 nan 0.000 0.501 4894 V N 1.621 121.522 119.914 -0.021 0.000 2.540 4894 V HA 0.619 4.739 4.120 0.000 0.000 0.302 4894 V C -1.262 174.777 176.094 -0.092 0.000 1.035 4894 V CA -0.878 61.377 62.300 -0.075 0.000 0.873 4894 V CB 1.879 33.700 31.823 -0.002 0.000 0.992 4894 V HN 0.217 nan 8.190 nan 0.000 0.428 4895 L N 5.295 126.370 121.223 -0.247 0.000 2.438 4895 L HA 0.732 5.072 4.340 0.000 0.000 0.270 4895 L C -1.659 174.977 176.870 -0.392 0.000 0.972 4895 L CA -0.030 54.704 54.840 -0.177 0.000 0.831 4895 L CB 1.731 43.736 42.059 -0.090 0.000 1.273 4895 L HN 0.466 nan 8.230 nan 0.000 0.405 4896 F N 4.556 124.516 119.950 0.017 0.000 2.449 4896 F HA 0.558 5.085 4.527 -0.000 0.000 0.342 4896 F C 0.005 175.813 175.800 0.013 0.000 1.127 4896 F CA -0.411 57.599 58.000 0.016 0.000 0.975 4896 F CB 1.702 40.712 39.000 0.016 0.000 1.146 4896 F HN 0.564 nan 8.300 nan 0.000 0.444 4897 C N 4.740 124.133 119.300 0.154 0.000 2.322 4897 C HA 0.276 4.736 4.460 0.000 0.000 0.324 4897 C C 1.523 176.570 174.990 0.096 0.000 1.284 4897 C CA -0.418 58.658 59.018 0.096 0.000 1.606 4897 C CB 0.976 28.746 27.740 0.049 0.000 2.251 4897 C HN 0.958 nan 8.230 nan 0.000 0.502 4898 Q N 3.107 122.952 119.800 0.074 0.000 2.119 4898 Q HA -0.030 4.310 4.340 0.000 0.000 0.201 4898 Q C 0.819 176.845 176.000 0.042 0.000 0.972 4898 Q CA 1.589 57.425 55.803 0.055 0.000 0.847 4898 Q CB 0.172 28.933 28.738 0.038 0.000 0.903 4898 Q HN 0.756 nan 8.270 nan 0.000 0.433 4899 K N -1.070 119.351 120.400 0.036 0.000 2.520 4899 K HA 0.417 4.737 4.320 0.000 0.000 0.256 4899 K C 0.327 176.942 176.600 0.025 0.000 1.033 4899 K CA -0.183 56.120 56.287 0.026 0.000 1.007 4899 K CB 0.071 32.583 32.500 0.020 0.000 1.330 4899 K HN 0.102 nan 8.250 nan 0.000 0.507 4900 G N 0.351 109.161 108.800 0.017 0.000 2.569 4900 G HA2 0.388 4.348 3.960 0.000 0.000 0.249 4900 G HA3 0.388 4.348 3.960 0.000 0.000 0.249 4900 G C -0.487 174.417 174.900 0.006 0.000 1.216 4900 G CA -0.498 44.608 45.100 0.010 0.000 0.845 4900 G HN 0.367 nan 8.290 nan 0.000 0.568 4901 I N 0.918 121.486 120.570 -0.003 0.000 2.439 4901 I HA 0.150 4.320 4.170 0.000 0.000 0.285 4901 I C -0.411 175.688 176.117 -0.031 0.000 1.021 4901 I CA -0.766 60.527 61.300 -0.012 0.000 1.091 4901 I CB 1.935 39.927 38.000 -0.014 0.000 1.242 4901 I HN 0.422 nan 8.210 nan 0.000 0.439 4902 D N 5.228 125.607 120.400 -0.034 0.000 2.455 4902 D HA -0.054 4.586 4.640 0.000 0.000 0.241 4902 D C 0.667 176.889 176.300 -0.130 0.000 1.138 4902 D CA 0.174 54.138 54.000 -0.061 0.000 0.877 4902 D CB 1.314 42.089 40.800 -0.041 0.000 1.187 4902 D HN 0.480 nan 8.370 nan 0.000 0.451 4903 D N 2.861 123.151 120.400 -0.182 0.000 2.172 4903 D HA -0.202 4.438 4.640 0.000 0.000 0.196 4903 D C 1.746 177.553 176.300 -0.821 0.000 0.999 4903 D CA 0.666 54.444 54.000 -0.370 0.000 0.856 4903 D CB 0.006 40.642 40.800 -0.273 0.000 0.934 4903 D HN 0.371 nan 8.370 nan 0.000 0.453 4904 L N 0.621 121.525 121.223 -0.532 0.000 2.083 4904 L HA -0.070 4.270 4.340 0.000 0.000 0.209 4904 L C 2.104 178.855 176.870 -0.199 0.000 1.083 4904 L CA 1.721 56.308 54.840 -0.423 0.000 0.752 4904 L CB -0.696 41.306 42.059 -0.095 0.000 0.899 4904 L HN -0.013 nan 8.230 nan 0.000 0.433 4905 A N -1.174 121.609 122.820 -0.061 0.000 1.930 4905 A HA -0.241 4.080 4.320 0.000 0.000 0.217 4905 A C 2.167 179.769 177.584 0.030 0.000 1.175 4905 A CA 1.693 53.775 52.037 0.074 0.000 0.627 4905 A CB -0.535 18.487 19.000 0.038 0.000 0.815 4905 A HN 0.651 nan 8.150 nan 0.000 0.443 4906 Q N -1.054 118.698 119.800 -0.081 0.000 2.170 4906 Q HA -0.184 4.156 4.340 0.000 0.000 0.203 4906 Q C 1.786 177.815 176.000 0.047 0.000 0.976 4906 Q CA 1.563 57.347 55.803 -0.033 0.000 0.858 4906 Q CB -0.339 28.367 28.738 -0.053 0.000 0.907 4906 Q HN 0.891 nan 8.270 nan 0.000 0.433 4907 H N -1.342 117.669 119.070 -0.098 0.000 2.389 4907 H HA -0.124 4.432 4.556 0.000 0.000 0.299 4907 H C 1.307 176.519 175.328 -0.192 0.000 1.081 4907 H CA 1.031 56.962 56.048 -0.194 0.000 1.345 4907 H CB 0.108 29.669 29.762 -0.335 0.000 1.393 4907 H HN 0.305 nan 8.280 nan 0.000 0.520 4908 Y N 0.382 120.748 120.300 0.109 0.000 2.365 4908 Y HA -0.082 4.468 4.550 0.000 0.000 0.293 4908 Y C 2.404 178.321 175.900 0.029 0.000 1.119 4908 Y CA 0.085 58.218 58.100 0.054 0.000 1.203 4908 Y CB 0.117 38.597 38.460 0.033 0.000 1.026 4908 Y HN 0.072 nan 8.280 nan 0.000 0.549 4909 L N -0.616 120.706 121.223 0.166 0.000 2.083 4909 L HA -0.246 4.094 4.340 0.000 0.000 0.209 4909 L C 2.649 179.552 176.870 0.055 0.000 1.083 4909 L CA 1.068 55.958 54.840 0.083 0.000 0.752 4909 L CB -0.630 41.455 42.059 0.044 0.000 0.899 4909 L HN 0.240 nan 8.230 nan 0.000 0.433 4910 A N -0.164 122.688 122.820 0.053 0.000 1.969 4910 A HA -0.238 4.082 4.320 0.000 0.000 0.218 4910 A C 2.372 179.975 177.584 0.032 0.000 1.169 4910 A CA 1.696 53.752 52.037 0.031 0.000 0.635 4910 A CB -0.384 18.630 19.000 0.023 0.000 0.810 4910 A HN 0.322 nan 8.150 nan 0.000 0.445 4911 K N -0.366 120.068 120.400 0.058 0.000 2.097 4911 K HA -0.145 4.175 4.320 0.000 0.000 0.206 4911 K C 1.029 177.658 176.600 0.047 0.000 1.049 4911 K CA 1.512 57.835 56.287 0.060 0.000 0.933 4911 K CB -0.003 32.565 32.500 0.112 0.000 0.717 4911 K HN 0.353 nan 8.250 nan 0.000 0.442 4912 E N -0.760 119.469 120.200 0.048 0.000 2.474 4912 E HA 0.059 4.409 4.350 0.000 0.000 0.195 4912 E C 0.602 177.213 176.600 0.018 0.000 1.039 4912 E CA 0.628 57.047 56.400 0.031 0.000 0.881 4912 E CB 0.880 30.599 29.700 0.031 0.000 0.970 4912 E HN 0.540 nan 8.360 nan 0.000 0.486 4913 G N 2.118 110.927 108.800 0.016 0.000 2.176 4913 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 4913 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 4913 G C 0.231 175.129 174.900 -0.002 0.000 1.024 4913 G CA 0.107 45.210 45.100 0.005 0.000 0.755 4913 G HN 0.273 nan 8.290 nan 0.000 0.507 4914 I N 0.992 121.561 120.570 -0.002 0.000 2.352 4914 I HA 0.378 4.548 4.170 0.000 0.000 0.290 4914 I C 1.125 177.219 176.117 -0.037 0.000 1.036 4914 I CA -0.955 60.334 61.300 -0.017 0.000 1.336 4914 I CB 1.373 39.367 38.000 -0.011 0.000 1.407 4914 I HN 0.165 nan 8.210 nan 0.000 0.497 4915 V N 4.070 123.947 119.914 -0.061 0.000 2.546 4915 V HA 0.889 5.009 4.120 0.000 0.000 0.284 4915 V C 0.116 176.108 176.094 -0.170 0.000 1.050 4915 V CA -0.215 62.029 62.300 -0.093 0.000 0.981 4915 V CB 1.118 32.889 31.823 -0.088 0.000 0.990 4915 V HN 0.830 nan 8.190 nan 0.000 0.474 4916 A N 3.710 126.426 122.820 -0.174 0.000 2.539 4916 A HA 1.020 5.340 4.320 0.000 0.000 0.296 4916 A C -0.356 177.101 177.584 -0.212 0.000 1.073 4916 A CA -0.354 51.547 52.037 -0.226 0.000 0.700 4916 A CB 1.904 20.831 19.000 -0.122 0.000 1.296 4916 A HN 2.417 nan 8.150 nan 0.000 0.405 4917 A N 1.525 124.194 122.820 -0.253 0.000 2.381 4917 A HA 0.740 5.060 4.320 0.000 0.000 0.299 4917 A C -0.092 177.499 177.584 0.012 0.000 1.049 4917 A CA -0.595 51.392 52.037 -0.083 0.000 0.715 4917 A CB 0.925 19.924 19.000 -0.002 0.000 1.222 4917 A HN 1.276 nan 8.150 nan 0.000 0.428 4918 R N 2.018 122.536 120.500 0.029 0.000 2.602 4918 R HA 0.696 5.036 4.340 0.000 0.000 0.237 4918 R C 0.374 176.711 176.300 0.062 0.000 1.219 4918 R CA -0.153 55.972 56.100 0.042 0.000 1.121 4918 R CB 0.341 30.651 30.300 0.017 0.000 1.408 4918 R HN 1.067 nan 8.270 nan 0.000 0.559 4919 R N -1.198 119.332 120.500 0.049 0.000 3.502 4919 R HA -0.130 4.210 4.340 0.000 0.000 0.266 4919 R C -1.234 175.100 176.300 0.056 0.000 1.077 4919 R CA 0.707 56.833 56.100 0.044 0.000 0.718 4919 R CB -2.557 27.762 30.300 0.032 0.000 1.120 4919 R HN 0.291 nan 8.270 nan 0.000 0.457 4920 V N 1.284 121.244 119.914 0.077 0.000 2.614 4920 V HA 0.082 4.202 4.120 0.000 0.000 0.291 4920 V C 1.179 177.298 176.094 0.042 0.000 1.049 4920 V CA -0.177 62.172 62.300 0.081 0.000 1.038 4920 V CB 1.410 33.310 31.823 0.129 0.000 0.980 4920 V HN 0.329 nan 8.190 nan 0.000 0.481 4921 K N 3.074 123.489 120.400 0.024 0.000 2.448 4921 K HA 0.024 4.344 4.320 0.000 0.000 0.278 4921 K C 1.175 177.774 176.600 -0.001 0.000 1.009 4921 K CA -0.290 56.002 56.287 0.009 0.000 0.995 4921 K CB 0.525 33.026 32.500 0.001 0.000 0.917 4921 K HN 0.616 nan 8.250 nan 0.000 0.481 4922 K N 2.311 122.711 120.400 0.001 0.000 2.113 4922 K HA -0.188 4.132 4.320 0.000 0.000 0.208 4922 K C 1.853 178.443 176.600 -0.016 0.000 1.047 4922 K CA 2.126 58.411 56.287 -0.004 0.000 0.928 4922 K CB -0.473 32.026 32.500 -0.001 0.000 0.716 4922 K HN 0.580 nan 8.250 nan 0.000 0.446 4923 S N 0.164 115.853 115.700 -0.018 0.000 2.370 4923 S HA -0.155 4.315 4.470 0.000 0.000 0.226 4923 S C 1.345 175.920 174.600 -0.042 0.000 1.033 4923 S CA 1.760 59.945 58.200 -0.026 0.000 1.011 4923 S CB -0.392 62.795 63.200 -0.022 0.000 0.852 4923 S HN 0.428 nan 8.310 nan 0.000 0.457 4924 D N 0.416 120.787 120.400 -0.050 0.000 2.234 4924 D HA 0.025 4.665 4.640 0.000 0.000 0.205 4924 D C 1.931 178.160 176.300 -0.118 0.000 0.962 4924 D CA 0.608 54.557 54.000 -0.085 0.000 0.855 4924 D CB -0.159 40.591 40.800 -0.083 0.000 0.951 4924 D HN 0.390 nan 8.370 nan 0.000 0.500 4925 M N 0.750 120.302 119.600 -0.080 0.000 2.159 4925 M HA -0.098 4.383 4.480 0.000 0.000 0.263 4925 M C 1.827 178.089 176.300 -0.064 0.000 1.063 4925 M CA 1.232 56.489 55.300 -0.072 0.000 1.110 4925 M CB -0.724 31.864 32.600 -0.020 0.000 1.374 4925 M HN 0.072 nan 8.290 nan 0.000 0.411 4926 E N -0.073 120.096 120.200 -0.051 0.000 2.112 4926 E HA -0.126 4.224 4.350 0.000 0.000 0.190 4926 E C 2.017 178.584 176.600 -0.054 0.000 0.979 4926 E CA 0.791 57.166 56.400 -0.042 0.000 0.814 4926 E CB 0.015 29.697 29.700 -0.030 0.000 0.762 4926 E HN 0.492 nan 8.360 nan 0.000 0.460 4927 K N 0.575 120.932 120.400 -0.070 0.000 2.148 4927 K HA -0.075 4.245 4.320 0.000 0.000 0.204 4927 K C 2.101 178.642 176.600 -0.098 0.000 1.050 4927 K CA 0.751 56.991 56.287 -0.078 0.000 0.942 4927 K CB 0.006 32.454 32.500 -0.087 0.000 0.724 4927 K HN 0.098 nan 8.250 nan 0.000 0.446 4928 L N 0.288 121.430 121.223 -0.136 0.000 2.072 4928 L HA -0.132 4.208 4.340 0.000 0.000 0.205 4928 L C 2.560 179.377 176.870 -0.088 0.000 1.079 4928 L CA 0.971 55.712 54.840 -0.164 0.000 0.752 4928 L CB -0.507 41.374 42.059 -0.295 0.000 0.906 4928 L HN 0.182 nan 8.230 nan 0.000 0.436 4929 A N 0.195 122.978 122.820 -0.062 0.000 1.902 4929 A HA -0.208 4.112 4.320 0.000 0.000 0.217 4929 A C 2.328 179.900 177.584 -0.020 0.000 1.181 4929 A CA 1.640 53.661 52.037 -0.027 0.000 0.623 4929 A CB -0.287 18.702 19.000 -0.019 0.000 0.818 4929 A HN 0.306 nan 8.150 nan 0.000 0.443 4930 K N -0.435 119.949 120.400 -0.027 0.000 2.031 4930 K HA 0.028 4.348 4.320 0.000 0.000 0.205 4930 K C 2.386 178.978 176.600 -0.013 0.000 1.049 4930 K CA 1.066 57.342 56.287 -0.018 0.000 0.939 4930 K CB -0.291 32.195 32.500 -0.024 0.000 0.717 4930 K HN 0.416 nan 8.250 nan 0.000 0.438 4931 A N 1.189 123.992 122.820 -0.028 0.000 1.855 4931 A HA -0.146 4.174 4.320 0.000 0.000 0.215 4931 A C 2.305 179.882 177.584 -0.011 0.000 1.191 4931 A CA 2.225 54.247 52.037 -0.025 0.000 0.613 4931 A CB -1.063 17.908 19.000 -0.049 0.000 0.829 4931 A HN 0.468 nan 8.150 nan 0.000 0.442 4932 T N -4.237 110.308 114.554 -0.015 0.000 3.043 4932 T HA 0.352 4.702 4.350 0.000 0.000 0.263 4932 T C 1.460 176.171 174.700 0.019 0.000 1.094 4932 T CA 1.239 63.341 62.100 0.004 0.000 1.127 4932 T CB -0.185 68.688 68.868 0.008 0.000 0.905 4932 T HN 1.814 nan 8.240 nan 0.000 0.490 4933 G N 1.439 110.248 108.800 0.016 0.000 2.143 4933 G HA2 -0.036 3.924 3.960 0.000 0.000 0.248 4933 G HA3 -0.036 3.924 3.960 0.000 0.000 0.248 4933 G C 0.259 175.172 174.900 0.022 0.000 0.991 4933 G CA 0.023 45.136 45.100 0.023 0.000 0.689 4933 G HN 1.208 nan 8.290 nan 0.000 0.522 4934 A N -0.384 122.447 122.820 0.019 0.000 2.445 4934 A HA 0.594 4.914 4.320 0.000 0.000 0.242 4934 A C 0.378 177.974 177.584 0.021 0.000 1.075 4934 A CA 0.612 52.665 52.037 0.028 0.000 0.777 4934 A CB 0.397 19.420 19.000 0.038 0.000 1.013 4934 A HN 0.913 nan 8.150 nan 0.000 0.493 4935 N N 1.425 120.140 118.700 0.025 0.000 2.417 4935 N HA 0.400 5.140 4.740 0.000 0.000 0.274 4935 N C -0.868 174.656 175.510 0.023 0.000 0.987 4935 N CA -0.374 52.688 53.050 0.019 0.000 0.912 4935 N CB 1.318 39.815 38.487 0.017 0.000 1.177 4935 N HN 0.334 nan 8.380 nan 0.000 0.490 4936 V N 4.055 123.981 119.914 0.019 0.000 2.540 4936 V HA 0.102 4.222 4.120 0.000 0.000 0.297 4936 V C 0.487 176.594 176.094 0.021 0.000 1.024 4936 V CA 0.149 62.463 62.300 0.022 0.000 1.105 4936 V CB -0.125 31.708 31.823 0.016 0.000 0.938 4936 V HN 0.591 nan 8.190 nan 0.000 0.482 4937 I N 4.284 124.869 120.570 0.025 0.000 2.740 4937 I HA 0.472 4.642 4.170 0.000 0.000 0.303 4937 I C 1.107 177.236 176.117 0.020 0.000 1.044 4937 I CA 0.323 61.635 61.300 0.020 0.000 1.064 4937 I CB 2.433 40.446 38.000 0.021 0.000 1.249 4937 I HN 0.784 nan 8.210 nan 0.000 0.433 4938 T N 2.351 116.914 114.554 0.015 0.000 2.904 4938 T HA 0.187 4.537 4.350 0.000 0.000 0.243 4938 T C 0.781 175.489 174.700 0.013 0.000 1.024 4938 T CA 0.282 62.390 62.100 0.014 0.000 1.158 4938 T CB -0.341 68.534 68.868 0.011 0.000 0.867 4938 T HN 0.429 nan 8.240 nan 0.000 0.429 4939 N N 0.632 119.339 118.700 0.010 0.000 2.456 4939 N HA 0.364 5.104 4.740 0.000 0.000 0.288 4939 N C 0.950 176.466 175.510 0.009 0.000 1.059 4939 N CA -0.584 52.471 53.050 0.008 0.000 0.946 4939 N CB 1.107 39.598 38.487 0.006 0.000 1.150 4939 N HN 0.288 nan 8.380 nan 0.000 0.479 4940 I N 2.204 122.778 120.570 0.007 0.000 2.264 4940 I HA -0.235 3.935 4.170 0.000 0.000 0.248 4940 I C 1.955 178.074 176.117 0.002 0.000 1.111 4940 I CA 0.899 62.203 61.300 0.005 0.000 1.382 4940 I CB 0.028 38.029 38.000 0.002 0.000 1.060 4940 I HN 0.450 nan 8.210 nan 0.000 0.418 4941 K N 0.405 120.806 120.400 0.000 0.000 2.211 4941 K HA -0.156 4.164 4.320 0.000 0.000 0.203 4941 K C 1.423 178.024 176.600 0.001 0.000 1.050 4941 K CA 1.212 57.498 56.287 -0.002 0.000 0.945 4941 K CB -0.321 32.177 32.500 -0.003 0.000 0.732 4941 K HN 0.335 nan 8.250 nan 0.000 0.451 4942 D N 0.585 120.987 120.400 0.004 0.000 2.249 4942 D HA -0.064 4.576 4.640 0.000 0.000 0.205 4942 D C 0.579 176.884 176.300 0.008 0.000 0.962 4942 D CA 0.033 54.036 54.000 0.006 0.000 0.860 4942 D CB -0.171 40.633 40.800 0.007 0.000 0.955 4942 D HN -0.014 nan 8.370 nan 0.000 0.505 4943 L N 1.580 122.809 121.223 0.010 0.000 2.628 4943 L HA 0.023 4.363 4.340 0.000 0.000 0.274 4943 L C 0.329 177.205 176.870 0.011 0.000 1.209 4943 L CA 0.237 55.085 54.840 0.013 0.000 0.930 4943 L CB 0.042 42.110 42.059 0.015 0.000 1.183 4943 L HN -0.055 nan 8.230 nan 0.000 0.492 4944 S N 3.354 119.062 115.700 0.013 0.000 2.704 4944 S HA 0.801 5.271 4.470 0.000 0.000 0.296 4944 S C 0.852 175.461 174.600 0.015 0.000 1.138 4944 S CA -0.388 57.819 58.200 0.011 0.000 0.875 4944 S CB 1.262 64.468 63.200 0.010 0.000 1.151 4944 S HN 0.812 nan 8.310 nan 0.000 0.500 4945 A N 0.514 123.342 122.820 0.014 0.000 1.978 4945 A HA -0.088 4.232 4.320 0.000 0.000 0.220 4945 A C 2.026 179.620 177.584 0.017 0.000 1.170 4945 A CA 1.374 53.421 52.037 0.016 0.000 0.636 4945 A CB -0.925 18.083 19.000 0.014 0.000 0.810 4945 A HN 0.738 nan 8.150 nan 0.000 0.448 4946 Q N 0.066 119.875 119.800 0.015 0.000 2.437 4946 Q HA -0.114 4.226 4.340 0.000 0.000 0.210 4946 Q C 0.641 176.651 176.000 0.017 0.000 0.972 4946 Q CA 1.158 56.971 55.803 0.015 0.000 0.903 4946 Q CB -0.236 28.509 28.738 0.012 0.000 0.967 4946 Q HN 0.682 nan 8.270 nan 0.000 0.486 4947 D N -0.280 120.132 120.400 0.019 0.000 2.346 4947 D HA 0.076 4.716 4.640 0.000 0.000 0.206 4947 D C 0.489 176.806 176.300 0.029 0.000 1.001 4947 D CA 0.092 54.105 54.000 0.022 0.000 0.871 4947 D CB 0.649 41.462 40.800 0.021 0.000 0.943 4947 D HN 0.198 nan 8.370 nan 0.000 0.518 4948 L N 1.033 122.274 121.223 0.030 0.000 2.380 4948 L HA 0.381 4.721 4.340 0.000 0.000 0.273 4948 L C 1.154 178.047 176.870 0.038 0.000 1.138 4948 L CA -0.452 54.411 54.840 0.037 0.000 0.832 4948 L CB 1.212 43.291 42.059 0.034 0.000 1.124 4948 L HN -0.144 nan 8.230 nan 0.000 0.454 4949 G N 1.207 110.034 108.800 0.046 0.000 2.491 4949 G HA2 0.457 4.417 3.960 0.000 0.000 0.327 4949 G HA3 0.457 4.417 3.960 0.000 0.000 0.327 4949 G C -1.188 173.739 174.900 0.045 0.000 1.189 4949 G CA -0.489 44.636 45.100 0.042 0.000 0.956 4949 G HN 0.533 nan 8.290 nan 0.000 0.491 4950 D N -0.172 120.251 120.400 0.038 0.000 2.248 4950 D HA 0.594 5.234 4.640 0.000 0.000 0.246 4950 D C -0.353 175.965 176.300 0.030 0.000 1.027 4950 D CA 0.029 54.049 54.000 0.033 0.000 0.853 4950 D CB 2.079 42.893 40.800 0.025 0.000 1.243 4950 D HN 0.553 nan 8.370 nan 0.000 0.462 4951 A N 0.587 123.429 122.820 0.037 0.000 2.398 4951 A HA 0.604 4.924 4.320 0.000 0.000 0.301 4951 A C 0.997 178.600 177.584 0.031 0.000 1.041 4951 A CA -0.485 51.573 52.037 0.036 0.000 0.711 4951 A CB 1.656 20.693 19.000 0.063 0.000 1.240 4951 A HN 0.515 nan 8.150 nan 0.000 0.420 4952 G N 0.655 109.466 108.800 0.019 0.000 2.422 4952 G HA2 0.246 4.206 3.960 0.000 0.000 0.218 4952 G HA3 0.246 4.206 3.960 0.000 0.000 0.218 4952 G C 0.326 175.243 174.900 0.029 0.000 1.146 4952 G CA 1.691 46.800 45.100 0.016 0.000 0.769 4952 G HN 1.136 nan 8.290 nan 0.000 0.547 4953 L N -0.072 121.177 121.223 0.043 0.000 2.505 4953 L HA 0.600 4.940 4.340 0.000 0.000 0.266 4953 L C -1.313 175.608 176.870 0.085 0.000 0.954 4953 L CA -0.753 54.121 54.840 0.056 0.000 0.852 4953 L CB 2.504 44.595 42.059 0.053 0.000 1.282 4953 L HN -0.143 nan 8.230 nan 0.000 0.403 4954 V N 4.487 124.454 119.914 0.089 0.000 2.350 4954 V HA 0.632 4.752 4.120 0.000 0.000 0.285 4954 V C -0.412 175.739 176.094 0.095 0.000 1.014 4954 V CA -0.420 61.954 62.300 0.124 0.000 0.831 4954 V CB 1.321 33.228 31.823 0.140 0.000 1.000 4954 V HN 0.823 nan 8.190 nan 0.000 0.433 4955 E N 3.215 123.481 120.200 0.110 0.000 2.308 4955 E HA 0.391 4.741 4.350 0.000 0.000 0.275 4955 E C -0.964 175.643 176.600 0.012 0.000 0.890 4955 E CA -0.681 55.747 56.400 0.047 0.000 0.754 4955 E CB 2.168 31.882 29.700 0.024 0.000 1.207 4955 E HN 0.734 nan 8.360 nan 0.000 0.426 4956 E N 4.136 124.320 120.200 -0.026 0.000 2.180 4956 E HA 0.217 4.567 4.350 0.000 0.000 0.283 4956 E C -0.896 175.612 176.600 -0.153 0.000 1.061 4956 E CA -0.152 56.212 56.400 -0.061 0.000 0.861 4956 E CB 0.641 30.322 29.700 -0.032 0.000 1.056 4956 E HN 0.336 nan 8.360 nan 0.000 0.407 4957 R N 3.681 124.009 120.500 -0.287 0.000 2.686 4957 R HA 0.396 4.736 4.340 0.000 0.000 0.283 4957 R C -0.802 175.323 176.300 -0.292 0.000 0.978 4957 R CA -0.916 54.954 56.100 -0.383 0.000 0.897 4957 R CB 2.007 31.876 30.300 -0.718 0.000 1.192 4957 R HN 0.325 nan 8.270 nan 0.000 0.457 4958 K N 2.390 122.677 120.400 -0.188 0.000 2.213 4958 K HA 0.414 4.734 4.320 0.000 0.000 0.270 4958 K C -0.773 175.776 176.600 -0.085 0.000 1.002 4958 K CA -0.555 55.669 56.287 -0.105 0.000 0.868 4958 K CB 1.274 33.736 32.500 -0.063 0.000 1.093 4958 K HN 0.296 nan 8.250 nan 0.000 0.454 4959 I N 1.945 122.493 120.570 -0.038 0.000 2.390 4959 I HA 0.086 4.256 4.170 0.000 0.000 0.283 4959 I C 0.044 176.170 176.117 0.015 0.000 1.016 4959 I CA -0.178 61.126 61.300 0.006 0.000 1.151 4959 I CB 1.676 39.718 38.000 0.070 0.000 1.293 4959 I HN 0.578 nan 8.210 nan 0.000 0.458 4960 S N 4.472 120.177 115.700 0.009 0.000 3.581 4960 S HA -0.193 4.277 4.470 0.000 0.000 0.354 4960 S C 1.362 175.965 174.600 0.005 0.000 1.059 4960 S CA 1.064 59.270 58.200 0.009 0.000 1.060 4960 S CB -1.329 61.880 63.200 0.016 0.000 0.908 4960 S HN 1.458 nan 8.310 nan 0.000 0.475 4961 G N 0.439 109.238 108.800 -0.002 0.000 2.358 4961 G HA2 -0.264 3.696 3.960 0.000 0.000 0.224 4961 G HA3 -0.264 3.696 3.960 0.000 0.000 0.224 4961 G C -0.365 174.533 174.900 -0.004 0.000 1.073 4961 G CA 0.046 45.143 45.100 -0.005 0.000 0.635 4961 G HN 0.607 nan 8.290 nan 0.000 0.509 4962 D N 1.880 122.283 120.400 0.006 0.000 2.412 4962 D HA 0.386 5.026 4.640 0.000 0.000 0.257 4962 D C 0.476 176.781 176.300 0.008 0.000 1.217 4962 D CA 0.900 54.908 54.000 0.014 0.000 0.897 4962 D CB 1.405 42.222 40.800 0.028 0.000 1.132 4962 D HN 0.276 nan 8.370 nan 0.000 0.493 4963 S N 3.434 119.137 115.700 0.005 0.000 2.481 4963 S HA 0.368 4.838 4.470 0.000 0.000 0.276 4963 S C -0.141 174.475 174.600 0.028 0.000 1.247 4963 S CA -0.426 57.772 58.200 -0.005 0.000 1.053 4963 S CB 0.149 63.346 63.200 -0.005 0.000 0.925 4963 S HN 0.315 nan 8.310 nan 0.000 0.491 4964 M N 4.438 124.051 119.600 0.023 0.000 2.619 4964 M HA 0.534 5.014 4.480 0.000 0.000 0.297 4964 M C -1.068 175.304 176.300 0.121 0.000 1.229 4964 M CA -0.651 54.724 55.300 0.125 0.000 0.860 4964 M CB 2.151 34.922 32.600 0.285 0.000 1.741 4964 M HN 0.441 nan 8.290 nan 0.000 0.462 4965 I N 2.000 122.718 120.570 0.246 0.000 2.330 4965 I HA 0.337 4.507 4.170 0.000 0.000 0.289 4965 I C -1.261 175.149 176.117 0.488 0.000 1.001 4965 I CA -0.457 61.010 61.300 0.279 0.000 1.193 4965 I CB 0.895 39.058 38.000 0.272 0.000 1.345 4965 I HN 0.391 nan 8.210 nan 0.000 0.461 4966 F N 6.255 126.245 119.950 0.066 0.000 2.391 4966 F HA 0.335 4.862 4.527 -0.000 0.000 0.359 4966 F C 0.227 176.061 175.800 0.058 0.000 1.122 4966 F CA -0.995 57.032 58.000 0.045 0.000 1.120 4966 F CB 1.311 40.328 39.000 0.028 0.000 1.142 4966 F HN 0.001 nan 8.300 nan 0.000 0.483 4967 V N 4.915 124.927 119.914 0.163 0.000 2.311 4967 V HA 0.363 4.483 4.120 0.000 0.000 0.275 4967 V C -0.247 175.870 176.094 0.039 0.000 1.022 4967 V CA -0.577 61.786 62.300 0.104 0.000 0.830 4967 V CB 0.696 32.551 31.823 0.054 0.000 1.012 4967 V HN 0.786 nan 8.190 nan 0.000 0.452 4968 E N 3.320 123.555 120.200 0.058 0.000 2.433 4968 E HA 0.679 5.029 4.350 0.000 0.000 0.273 4968 E C -0.819 175.793 176.600 0.020 0.000 0.950 4968 E CA -0.910 55.506 56.400 0.027 0.000 0.796 4968 E CB 1.756 31.488 29.700 0.053 0.000 1.330 4968 E HN 0.232 nan 8.360 nan 0.000 0.455 4969 E N -0.945 119.255 120.200 0.001 0.000 2.596 4969 E HA -0.141 4.209 4.350 0.000 0.000 0.272 4969 E C -0.704 175.880 176.600 -0.026 0.000 1.039 4969 E CA 0.477 56.870 56.400 -0.011 0.000 0.804 4969 E CB -2.405 27.296 29.700 0.001 0.000 1.373 4969 E HN 0.597 nan 8.360 nan 0.000 0.404 4970 C N 0.815 120.097 119.300 -0.031 0.000 2.679 4970 C HA 0.050 4.510 4.460 0.000 0.000 0.417 4970 C C 2.285 177.223 174.990 -0.086 0.000 1.302 4970 C CA 0.054 59.049 59.018 -0.039 0.000 1.973 4970 C CB 0.358 28.080 27.740 -0.029 0.000 2.715 4970 C HN 0.388 nan 8.230 nan 0.000 0.628 4971 K N 0.858 121.192 120.400 -0.110 0.000 1.973 4971 K HA -0.069 4.252 4.320 0.000 0.000 0.212 4971 K C 0.447 176.753 176.600 -0.491 0.000 1.047 4971 K CA 1.303 57.425 56.287 -0.276 0.000 0.937 4971 K CB -0.058 32.328 32.500 -0.191 0.000 0.721 4971 K HN 0.686 nan 8.250 nan 0.000 0.440 4972 H N 0.391 119.460 119.070 -0.002 0.000 2.380 4972 H HA 0.244 4.800 4.556 0.000 0.000 0.231 4972 H C -2.501 172.822 175.328 -0.009 0.000 1.415 4972 H CA -1.983 54.062 56.048 -0.005 0.000 1.433 4972 H CB 0.650 30.410 29.762 -0.004 0.000 1.544 4972 H HN 0.197 nan 8.280 nan 0.000 0.503 4973 P HA 0.137 nan 4.420 nan 0.000 0.275 4973 P C 0.380 177.695 177.300 0.024 0.000 1.227 4973 P CA -0.527 62.585 63.100 0.021 0.000 0.781 4973 P CB 1.842 33.537 31.700 -0.009 0.000 0.906 4974 K N 0.622 121.028 120.400 0.010 0.000 2.373 4974 K HA 0.459 4.779 4.320 0.000 0.000 0.202 4974 K C 0.186 176.779 176.600 -0.012 0.000 1.025 4974 K CA 0.042 56.331 56.287 0.003 0.000 1.115 4974 K CB 0.530 33.031 32.500 0.001 0.000 0.858 4974 K HN 0.574 nan 8.250 nan 0.000 0.525 4975 A N -0.204 122.604 122.820 -0.020 0.000 2.520 4975 A HA 0.716 5.036 4.320 0.000 0.000 0.298 4975 A C -1.612 175.947 177.584 -0.041 0.000 1.051 4975 A CA -0.689 51.328 52.037 -0.033 0.000 0.690 4975 A CB 1.776 20.750 19.000 -0.043 0.000 1.281 4975 A HN -0.051 nan 8.150 nan 0.000 0.402 4976 V N 0.866 120.753 119.914 -0.046 0.000 3.007 4976 V HA 0.852 4.972 4.120 0.000 0.000 0.311 4976 V C -0.801 175.252 176.094 -0.068 0.000 1.120 4976 V CA -0.153 62.115 62.300 -0.054 0.000 0.980 4976 V CB 2.660 34.459 31.823 -0.041 0.000 1.033 4976 V HN 1.084 nan 8.190 nan 0.000 0.429 4977 T N 6.601 121.102 114.554 -0.089 0.000 2.848 4977 T HA 0.498 4.848 4.350 0.000 0.000 0.285 4977 T C -0.608 174.031 174.700 -0.103 0.000 0.995 4977 T CA -0.264 61.772 62.100 -0.107 0.000 0.970 4977 T CB 1.328 70.100 68.868 -0.159 0.000 0.976 4977 T HN 0.751 nan 8.240 nan 0.000 0.441 4978 M N 4.538 124.090 119.600 -0.081 0.000 2.114 4978 M HA 0.571 5.051 4.480 0.000 0.000 0.332 4978 M C -1.559 174.705 176.300 -0.060 0.000 1.014 4978 M CA -1.133 54.130 55.300 -0.062 0.000 0.956 4978 M CB 0.725 33.302 32.600 -0.040 0.000 1.551 4978 M HN 0.493 nan 8.290 nan 0.000 0.427 4979 L N 7.517 128.706 121.223 -0.058 0.000 2.257 4979 L HA 0.561 4.901 4.340 0.000 0.000 0.290 4979 L C -1.410 175.458 176.870 -0.005 0.000 1.044 4979 L CA 0.026 54.845 54.840 -0.034 0.000 0.810 4979 L CB 0.681 42.724 42.059 -0.027 0.000 1.193 4979 L HN 0.697 nan 8.230 nan 0.000 0.425 4980 I N 5.898 126.467 120.570 -0.001 0.000 2.336 4980 I HA 0.495 4.665 4.170 0.000 0.000 0.292 4980 I C 0.060 176.186 176.117 0.015 0.000 0.991 4980 I CA -0.665 60.639 61.300 0.006 0.000 1.227 4980 I CB 0.800 38.800 38.000 0.000 0.000 1.366 4980 I HN 0.550 nan 8.210 nan 0.000 0.466 4981 R N 3.965 124.476 120.500 0.019 0.000 2.902 4981 R HA 0.912 5.252 4.340 0.000 0.000 0.258 4981 R C -0.270 176.041 176.300 0.019 0.000 1.071 4981 R CA -1.063 55.050 56.100 0.022 0.000 1.024 4981 R CB 1.943 32.260 30.300 0.027 0.000 1.184 4981 R HN 0.859 nan 8.270 nan 0.000 0.492 4982 G N -1.107 107.705 108.800 0.021 0.000 2.328 4982 G HA2 -0.018 3.942 3.960 0.000 0.000 0.299 4982 G HA3 -0.018 3.942 3.960 0.000 0.000 0.299 4982 G C -0.003 174.911 174.900 0.023 0.000 1.435 4982 G CA -0.079 45.034 45.100 0.022 0.000 0.865 4982 G HN 0.390 nan 8.290 nan 0.000 0.601 4983 T N -0.813 113.756 114.554 0.025 0.000 2.995 4983 T HA 0.305 4.655 4.350 0.000 0.000 0.269 4983 T C 0.829 175.549 174.700 0.033 0.000 1.091 4983 T CA 2.311 64.427 62.100 0.026 0.000 1.128 4983 T CB -0.248 68.634 68.868 0.025 0.000 0.891 4983 T HN 0.764 nan 8.240 nan 0.000 0.492 4984 T N 0.093 114.672 114.554 0.041 0.000 2.889 4984 T HA 0.305 4.655 4.350 0.000 0.000 0.315 4984 T C 0.260 174.989 174.700 0.047 0.000 1.291 4984 T CA -0.652 61.484 62.100 0.059 0.000 1.028 4984 T CB 2.103 71.025 68.868 0.091 0.000 1.235 4984 T HN -0.020 nan 8.240 nan 0.000 0.491 4985 E N 0.942 121.156 120.200 0.023 0.000 2.049 4985 E HA -0.219 4.131 4.350 0.000 0.000 0.198 4985 E C 1.384 177.928 176.600 -0.093 0.000 1.007 4985 E CA 2.219 58.580 56.400 -0.066 0.000 0.809 4985 E CB -0.230 29.378 29.700 -0.153 0.000 0.749 4985 E HN 0.742 nan 8.360 nan 0.000 0.450 4986 H N -1.156 117.918 119.070 0.007 0.000 2.456 4986 H HA -0.030 4.526 4.556 -0.000 0.000 0.296 4986 H C 1.990 177.321 175.328 0.006 0.000 1.079 4986 H CA 1.252 57.303 56.048 0.006 0.000 1.322 4986 H CB 0.049 29.814 29.762 0.005 0.000 1.388 4986 H HN 0.041 nan 8.280 nan 0.000 0.538 4987 V N 1.194 121.178 119.914 0.117 0.000 2.323 4987 V HA -0.197 3.923 4.120 0.000 0.000 0.244 4987 V C 2.300 178.418 176.094 0.039 0.000 1.041 4987 V CA 1.874 64.215 62.300 0.067 0.000 1.025 4987 V CB -0.440 31.415 31.823 0.053 0.000 0.656 4987 V HN 0.546 nan 8.190 nan 0.000 0.451 4988 I N -1.945 118.640 120.570 0.024 0.000 2.830 4988 I HA -0.069 4.101 4.170 0.000 0.000 0.263 4988 I C 2.078 178.195 176.117 0.001 0.000 1.230 4988 I CA 1.406 62.712 61.300 0.010 0.000 1.480 4988 I CB -0.525 37.477 38.000 0.003 0.000 1.095 4988 I HN 0.294 nan 8.210 nan 0.000 0.455 4989 E N 1.481 121.678 120.200 -0.004 0.000 2.076 4989 E HA -0.202 4.148 4.350 0.000 0.000 0.190 4989 E C 2.045 178.651 176.600 0.010 0.000 0.979 4989 E CA 1.060 57.454 56.400 -0.011 0.000 0.807 4989 E CB -0.010 29.668 29.700 -0.037 0.000 0.761 4989 E HN 0.615 nan 8.360 nan 0.000 0.454 4990 E N 0.719 120.935 120.200 0.027 0.000 2.106 4990 E HA -0.159 4.191 4.350 0.000 0.000 0.192 4990 E C 2.060 178.672 176.600 0.020 0.000 0.984 4990 E CA 0.905 57.322 56.400 0.029 0.000 0.806 4990 E CB 0.237 29.960 29.700 0.039 0.000 0.750 4990 E HN 0.022 nan 8.360 nan 0.000 0.458 4991 V N 1.233 121.158 119.914 0.018 0.000 2.343 4991 V HA -0.250 3.870 4.120 0.000 0.000 0.247 4991 V C 2.464 178.562 176.094 0.007 0.000 1.051 4991 V CA 1.737 64.044 62.300 0.013 0.000 1.036 4991 V CB -0.733 31.097 31.823 0.012 0.000 0.654 4991 V HN 0.437 nan 8.190 nan 0.000 0.451 4992 A N -0.279 122.543 122.820 0.003 0.000 1.933 4992 A HA -0.199 4.121 4.320 0.000 0.000 0.218 4992 A C 2.359 179.942 177.584 -0.001 0.000 1.175 4992 A CA 1.478 53.514 52.037 -0.002 0.000 0.628 4992 A CB -0.416 18.580 19.000 -0.007 0.000 0.814 4992 A HN 0.384 nan 8.150 nan 0.000 0.444 4993 R N -0.544 119.958 120.500 0.004 0.000 2.090 4993 R HA 0.039 4.379 4.340 0.000 0.000 0.228 4993 R C 2.423 178.727 176.300 0.006 0.000 1.110 4993 R CA 1.281 57.384 56.100 0.005 0.000 0.973 4993 R CB -1.088 29.217 30.300 0.009 0.000 0.869 4993 R HN 0.524 nan 8.270 nan 0.000 0.440 4994 A N 0.973 123.799 122.820 0.009 0.000 1.902 4994 A HA -0.128 4.192 4.320 0.000 0.000 0.217 4994 A C 2.271 179.859 177.584 0.007 0.000 1.181 4994 A CA 1.934 53.977 52.037 0.011 0.000 0.623 4994 A CB -0.610 18.399 19.000 0.014 0.000 0.818 4994 A HN 0.211 nan 8.150 nan 0.000 0.443 4995 V N -2.406 117.510 119.914 0.003 0.000 2.719 4995 V HA -0.112 4.008 4.120 0.000 0.000 0.252 4995 V C 1.926 178.018 176.094 -0.003 0.000 1.065 4995 V CA 2.045 64.345 62.300 -0.000 0.000 1.086 4995 V CB -0.629 31.192 31.823 -0.003 0.000 0.700 4995 V HN 0.542 nan 8.190 nan 0.000 0.467 4996 D N 1.079 121.477 120.400 -0.003 0.000 2.097 4996 D HA -0.241 4.399 4.640 0.000 0.000 0.195 4996 D C 1.681 177.980 176.300 -0.002 0.000 0.989 4996 D CA 2.058 56.055 54.000 -0.004 0.000 0.827 4996 D CB -0.059 40.739 40.800 -0.003 0.000 0.966 4996 D HN 0.510 nan 8.370 nan 0.000 0.456 4997 D N 0.338 120.738 120.400 0.001 0.000 2.144 4997 D HA -0.067 4.573 4.640 0.000 0.000 0.200 4997 D C 2.011 178.313 176.300 0.002 0.000 0.978 4997 D CA 1.134 55.136 54.000 0.003 0.000 0.833 4997 D CB -0.442 40.361 40.800 0.005 0.000 0.961 4997 D HN 0.266 nan 8.370 nan 0.000 0.470 4998 A N 0.664 123.486 122.820 0.002 0.000 1.908 4998 A HA -0.153 4.167 4.320 0.000 0.000 0.218 4998 A C 2.508 180.091 177.584 -0.001 0.000 1.181 4998 A CA 1.295 53.333 52.037 0.001 0.000 0.627 4998 A CB -0.786 18.215 19.000 0.001 0.000 0.818 4998 A HN 0.152 nan 8.150 nan 0.000 0.445 4999 V N -0.112 119.800 119.914 -0.003 0.000 2.427 4999 V HA -0.165 3.955 4.120 0.000 0.000 0.248 4999 V C 2.803 178.894 176.094 -0.004 0.000 1.051 4999 V CA 1.859 64.156 62.300 -0.005 0.000 1.048 4999 V CB -1.415 30.404 31.823 -0.008 0.000 0.666 4999 V HN 0.626 nan 8.190 nan 0.000 0.456 5000 G N 0.584 109.383 108.800 -0.003 0.000 2.446 5000 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 5000 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 5000 G C 1.701 176.600 174.900 -0.001 0.000 1.168 5000 G CA 1.633 46.731 45.100 -0.002 0.000 0.771 5000 G HN 0.601 nan 8.290 nan 0.000 0.551 5001 V N -1.537 118.377 119.914 0.000 0.000 2.719 5001 V HA 0.029 4.149 4.120 0.000 0.000 0.252 5001 V C 2.613 178.707 176.094 0.000 0.000 1.065 5001 V CA 1.211 63.512 62.300 0.001 0.000 1.086 5001 V CB -0.301 31.524 31.823 0.003 0.000 0.700 5001 V HN 0.130 nan 8.190 nan 0.000 0.467 5002 V N 2.093 122.006 119.914 -0.001 0.000 2.358 5002 V HA -0.032 4.088 4.120 0.000 0.000 0.246 5002 V C 2.918 179.011 176.094 -0.003 0.000 1.047 5002 V CA 2.249 64.547 62.300 -0.002 0.000 1.035 5002 V CB -1.334 30.486 31.823 -0.003 0.000 0.658 5002 V HN 0.613 nan 8.190 nan 0.000 0.452 5003 G N -1.264 107.534 108.800 -0.003 0.000 2.422 5003 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 5003 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 5003 G C 1.707 176.606 174.900 -0.002 0.000 1.146 5003 G CA 1.293 46.391 45.100 -0.003 0.000 0.769 5003 G HN 0.536 nan 8.290 nan 0.000 0.547 5004 C N 0.249 119.549 119.300 -0.001 0.000 2.440 5004 C HA 0.024 4.484 4.460 0.000 0.000 0.278 5004 C C 3.147 178.137 174.990 -0.000 0.000 1.295 5004 C CA 1.482 60.499 59.018 -0.000 0.000 1.738 5004 C CB -0.809 26.932 27.740 0.001 0.000 1.987 5004 C HN 0.405 nan 8.230 nan 0.000 0.492 5005 T N 0.709 115.263 114.554 -0.001 0.000 3.043 5005 T HA 0.113 4.463 4.350 0.000 0.000 0.263 5005 T C 1.567 176.266 174.700 -0.001 0.000 1.094 5005 T CA 0.737 62.836 62.100 -0.001 0.000 1.127 5005 T CB -0.122 68.746 68.868 -0.001 0.000 0.905 5005 T HN 0.468 nan 8.240 nan 0.000 0.490 5006 I N 0.762 121.331 120.570 -0.002 0.000 2.333 5006 I HA -0.048 4.122 4.170 0.000 0.000 0.246 5006 I C 2.454 178.570 176.117 -0.002 0.000 1.106 5006 I CA 1.210 62.508 61.300 -0.002 0.000 1.411 5006 I CB -0.116 37.883 38.000 -0.003 0.000 1.082 5006 I HN 0.254 nan 8.210 nan 0.000 0.420 5007 E N 0.063 120.262 120.200 -0.002 0.000 2.122 5007 E HA -0.056 4.294 4.350 0.000 0.000 0.190 5007 E C -0.073 176.526 176.600 -0.001 0.000 0.977 5007 E CA 0.660 57.058 56.400 -0.002 0.000 0.820 5007 E CB 0.269 29.968 29.700 -0.002 0.000 0.770 5007 E HN 0.347 nan 8.360 nan 0.000 0.462 5008 D N 0.163 120.562 120.400 -0.001 0.000 2.446 5008 D HA 0.128 4.768 4.640 0.000 0.000 0.251 5008 D C -0.087 176.213 176.300 -0.000 0.000 1.137 5008 D CA -0.099 53.901 54.000 -0.001 0.000 0.890 5008 D CB 1.438 42.238 40.800 0.000 0.000 1.071 5008 D HN 0.092 nan 8.370 nan 0.000 0.528 5009 G N 2.257 111.057 108.800 -0.001 0.000 3.340 5009 G HA2 -0.051 3.909 3.960 0.000 0.000 0.240 5009 G HA3 -0.051 3.909 3.960 0.000 0.000 0.240 5009 G C 0.614 175.514 174.900 -0.000 0.000 1.327 5009 G CA -0.146 44.953 45.100 -0.001 0.000 1.170 5009 G HN 0.080 nan 8.290 nan 0.000 0.520 5010 R N 0.355 120.855 120.500 0.000 0.000 2.494 5010 R HA 0.569 4.909 4.340 0.000 0.000 0.305 5010 R C -0.101 176.201 176.300 0.002 0.000 0.959 5010 R CA -0.643 55.458 56.100 0.001 0.000 0.864 5010 R CB 1.753 32.053 30.300 0.001 0.000 1.159 5010 R HN 0.388 nan 8.270 nan 0.000 0.446 5011 I N -1.268 119.304 120.570 0.003 0.000 3.002 5011 I HA 0.809 4.979 4.170 0.000 0.000 0.310 5011 I C -0.183 175.938 176.117 0.007 0.000 1.087 5011 I CA -1.302 60.001 61.300 0.005 0.000 1.017 5011 I CB 2.446 40.448 38.000 0.004 0.000 1.226 5011 I HN 0.301 nan 8.210 nan 0.000 0.443 5012 V N -0.299 119.621 119.914 0.010 0.000 3.078 5012 V HA 0.674 4.794 4.120 0.000 0.000 0.311 5012 V C 0.094 176.199 176.094 0.018 0.000 1.138 5012 V CA -0.583 61.726 62.300 0.015 0.000 1.007 5012 V CB 1.179 33.012 31.823 0.017 0.000 1.045 5012 V HN 1.026 nan 8.190 nan 0.000 0.432 5013 S N 1.499 117.213 115.700 0.024 0.000 2.562 5013 S HA 0.647 5.117 4.470 0.000 0.000 0.281 5013 S C 0.558 175.178 174.600 0.034 0.000 1.333 5013 S CA 0.170 58.387 58.200 0.029 0.000 1.052 5013 S CB 0.845 64.066 63.200 0.035 0.000 0.884 5013 S HN 1.792 nan 8.310 nan 0.000 0.506 5014 G N 0.364 109.185 108.800 0.035 0.000 2.630 5014 G HA2 0.543 4.503 3.960 0.000 0.000 0.223 5014 G HA3 0.543 4.503 3.960 0.000 0.000 0.223 5014 G C 0.913 175.839 174.900 0.043 0.000 1.434 5014 G CA -0.551 44.571 45.100 0.037 0.000 1.057 5014 G HN 2.030 nan 8.290 nan 0.000 0.570 5015 G N -1.997 106.830 108.800 0.045 0.000 2.179 5015 G HA2 0.236 4.196 3.960 0.000 0.000 0.257 5015 G HA3 0.236 4.196 3.960 0.000 0.000 0.257 5015 G C 1.467 176.382 174.900 0.025 0.000 1.010 5015 G CA 1.176 46.302 45.100 0.044 0.000 0.736 5015 G HN 2.472 nan 8.290 nan 0.000 0.513 5016 G N -1.358 107.449 108.800 0.012 0.000 2.162 5016 G HA2 -0.123 3.837 3.960 0.000 0.000 0.260 5016 G HA3 -0.123 3.837 3.960 0.000 0.000 0.260 5016 G C 1.467 176.358 174.900 -0.015 0.000 0.976 5016 G CA 1.687 46.781 45.100 -0.012 0.000 0.655 5016 G HN 1.952 nan 8.290 nan 0.000 0.533 5017 S N 0.036 115.754 115.700 0.029 0.000 2.370 5017 S HA -0.164 4.306 4.470 0.000 0.000 0.226 5017 S C 2.795 177.427 174.600 0.053 0.000 1.033 5017 S CA 2.766 61.016 58.200 0.083 0.000 1.011 5017 S CB -0.553 62.732 63.200 0.142 0.000 0.852 5017 S HN 1.320 nan 8.310 nan 0.000 0.457 5018 T N 0.102 114.676 114.554 0.033 0.000 2.595 5018 T HA -0.089 4.261 4.350 0.000 0.000 0.264 5018 T C 1.605 176.293 174.700 -0.021 0.000 1.058 5018 T CA 1.595 63.708 62.100 0.022 0.000 1.166 5018 T CB -1.019 67.857 68.868 0.014 0.000 0.863 5018 T HN 0.349 nan 8.240 nan 0.000 0.415 5019 E N 0.900 121.075 120.200 -0.042 0.000 2.171 5019 E HA -0.069 4.281 4.350 0.000 0.000 0.197 5019 E C 2.276 178.812 176.600 -0.107 0.000 0.997 5019 E CA 0.851 57.210 56.400 -0.068 0.000 0.810 5019 E CB -0.829 28.825 29.700 -0.076 0.000 0.738 5019 E HN 0.436 nan 8.360 nan 0.000 0.467 5020 V N 0.409 120.220 119.914 -0.172 0.000 2.379 5020 V HA -0.216 3.904 4.120 0.000 0.000 0.245 5020 V C 2.280 178.148 176.094 -0.375 0.000 1.044 5020 V CA 1.841 63.953 62.300 -0.314 0.000 1.036 5020 V CB -0.427 31.101 31.823 -0.491 0.000 0.664 5020 V HN 0.223 nan 8.190 nan 0.000 0.453 5021 E N 0.427 120.438 120.200 -0.315 0.000 2.085 5021 E HA -0.225 4.125 4.350 0.000 0.000 0.194 5021 E C 1.878 178.487 176.600 0.016 0.000 0.994 5021 E CA 1.472 57.874 56.400 0.004 0.000 0.801 5021 E CB -0.337 29.475 29.700 0.186 0.000 0.743 5021 E HN 0.364 nan 8.360 nan 0.000 0.453 5022 L N 0.583 121.801 121.223 -0.008 0.000 2.056 5022 L HA -0.108 4.232 4.340 0.000 0.000 0.207 5022 L C 2.555 179.444 176.870 0.032 0.000 1.078 5022 L CA 2.020 56.872 54.840 0.021 0.000 0.749 5022 L CB -1.154 40.923 42.059 0.030 0.000 0.901 5022 L HN 0.311 nan 8.230 nan 0.000 0.433 5023 S N -1.909 113.787 115.700 -0.007 0.000 2.423 5023 S HA -0.165 4.305 4.470 0.000 0.000 0.231 5023 S C 1.954 176.566 174.600 0.021 0.000 1.014 5023 S CA 0.838 59.041 58.200 0.005 0.000 0.965 5023 S CB -0.308 62.868 63.200 -0.040 0.000 0.785 5023 S HN 0.252 nan 8.310 nan 0.000 0.495 5024 M N 1.538 121.142 119.600 0.007 0.000 2.064 5024 M HA 0.065 4.545 4.480 0.000 0.000 0.260 5024 M C 2.179 178.518 176.300 0.065 0.000 1.073 5024 M CA 1.410 56.734 55.300 0.039 0.000 1.124 5024 M CB -0.935 31.703 32.600 0.062 0.000 1.326 5024 M HN 0.257 nan 8.290 nan 0.000 0.410 5025 K N 0.614 121.055 120.400 0.067 0.000 2.217 5025 K HA 0.065 4.385 4.320 0.000 0.000 0.202 5025 K C 2.023 178.688 176.600 0.108 0.000 1.051 5025 K CA 0.869 57.201 56.287 0.075 0.000 0.952 5025 K CB -0.481 32.049 32.500 0.050 0.000 0.736 5025 K HN 0.389 nan 8.250 nan 0.000 0.453 5026 L N 0.150 121.439 121.223 0.110 0.000 2.313 5026 L HA -0.030 4.310 4.340 0.000 0.000 0.214 5026 L C 2.385 179.377 176.870 0.203 0.000 1.119 5026 L CA 0.647 55.596 54.840 0.180 0.000 0.809 5026 L CB -0.185 41.980 42.059 0.177 0.000 0.933 5026 L HN 0.097 nan 8.230 nan 0.000 0.449 5027 R N 0.107 120.688 120.500 0.134 0.000 2.090 5027 R HA -0.124 4.216 4.340 0.000 0.000 0.228 5027 R C 2.053 178.408 176.300 0.092 0.000 1.110 5027 R CA 1.170 57.331 56.100 0.102 0.000 0.973 5027 R CB -0.078 30.264 30.300 0.070 0.000 0.869 5027 R HN 0.421 nan 8.270 nan 0.000 0.440 5028 E N -0.467 119.795 120.200 0.103 0.000 2.107 5028 E HA -0.194 4.156 4.350 0.000 0.000 0.191 5028 E C 1.549 178.215 176.600 0.110 0.000 0.982 5028 E CA 0.799 57.252 56.400 0.089 0.000 0.809 5028 E CB -0.087 29.664 29.700 0.085 0.000 0.756 5028 E HN 0.298 nan 8.360 nan 0.000 0.459 5029 Y N 1.583 121.897 120.300 0.023 0.000 2.224 5029 Y HA -0.227 4.323 4.550 -0.000 0.000 0.289 5029 Y C 2.181 178.091 175.900 0.017 0.000 1.146 5029 Y CA 1.289 59.399 58.100 0.017 0.000 1.182 5029 Y CB -0.423 38.045 38.460 0.014 0.000 0.983 5029 Y HN -0.011 nan 8.280 nan 0.000 0.524 5030 A N 0.377 123.190 122.820 -0.012 0.000 1.883 5030 A HA -0.187 4.133 4.320 0.000 0.000 0.217 5030 A C 2.131 179.657 177.584 -0.096 0.000 1.186 5030 A CA 1.910 53.903 52.037 -0.073 0.000 0.624 5030 A CB -0.634 18.390 19.000 0.039 0.000 0.822 5030 A HN 0.517 nan 8.150 nan 0.000 0.444 5031 E N -0.468 119.706 120.200 -0.044 0.000 2.110 5031 E HA -0.139 4.211 4.350 0.000 0.000 0.193 5031 E C 2.163 178.724 176.600 -0.066 0.000 0.988 5031 E CA 1.154 57.532 56.400 -0.037 0.000 0.804 5031 E CB -0.691 29.005 29.700 -0.006 0.000 0.745 5031 E HN 0.599 nan 8.360 nan 0.000 0.458 5032 G N 1.475 110.218 108.800 -0.094 0.000 2.402 5032 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 5032 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 5032 G C 1.607 176.412 174.900 -0.157 0.000 1.162 5032 G CA 0.338 45.374 45.100 -0.106 0.000 0.777 5032 G HN 0.116 nan 8.290 nan 0.000 0.539 5033 I N 0.339 120.751 120.570 -0.263 0.000 2.202 5033 I HA -0.011 4.159 4.170 0.000 0.000 0.242 5033 I C 1.706 177.742 176.117 -0.135 0.000 1.091 5033 I CA 1.136 62.286 61.300 -0.249 0.000 1.368 5033 I CB -1.168 36.619 38.000 -0.354 0.000 1.058 5033 I HN 0.324 nan 8.210 nan 0.000 0.410 5034 S N -1.227 114.407 115.700 -0.110 0.000 3.513 5034 S HA -0.105 4.365 4.470 0.000 0.000 0.636 5034 S C 0.714 175.281 174.600 -0.055 0.000 2.452 5034 S CA 1.398 59.559 58.200 -0.065 0.000 2.644 5034 S CB -1.362 61.807 63.200 -0.051 0.000 0.331 5034 S HN 1.473 nan 8.310 nan 0.000 1.787 5035 G N 0.745 109.522 108.800 -0.037 0.000 2.575 5035 G HA2 -0.260 3.700 3.960 0.000 0.000 0.267 5035 G HA3 -0.260 3.700 3.960 0.000 0.000 0.267 5035 G C 0.089 174.975 174.900 -0.023 0.000 1.264 5035 G CA 1.098 46.181 45.100 -0.029 0.000 0.935 5035 G HN 1.196 nan 8.290 nan 0.000 0.568 5036 R N 0.564 121.052 120.500 -0.019 0.000 2.240 5036 R HA 0.249 4.589 4.340 0.000 0.000 0.203 5036 R C 2.410 178.702 176.300 -0.013 0.000 1.011 5036 R CA 1.553 57.646 56.100 -0.012 0.000 1.007 5036 R CB -0.310 29.985 30.300 -0.008 0.000 0.911 5036 R HN 0.620 nan 8.270 nan 0.000 0.468 5037 E N 0.397 120.583 120.200 -0.024 0.000 2.153 5037 E HA -0.181 4.169 4.350 0.000 0.000 0.194 5037 E C 1.703 178.293 176.600 -0.017 0.000 0.988 5037 E CA 0.839 57.223 56.400 -0.025 0.000 0.811 5037 E CB -0.088 29.586 29.700 -0.043 0.000 0.746 5037 E HN 0.191 nan 8.360 nan 0.000 0.466 5038 Q N 0.575 120.358 119.800 -0.029 0.000 2.170 5038 Q HA -0.144 4.196 4.340 0.000 0.000 0.203 5038 Q C 1.989 178.003 176.000 0.024 0.000 0.976 5038 Q CA 1.094 56.885 55.803 -0.019 0.000 0.858 5038 Q CB -0.062 28.658 28.738 -0.030 0.000 0.907 5038 Q HN 0.385 nan 8.270 nan 0.000 0.433 5039 L N 0.041 121.279 121.223 0.024 0.000 2.056 5039 L HA -0.124 4.216 4.340 0.000 0.000 0.207 5039 L C 2.626 179.546 176.870 0.083 0.000 1.078 5039 L CA 1.146 56.012 54.840 0.043 0.000 0.749 5039 L CB -0.681 41.393 42.059 0.025 0.000 0.901 5039 L HN 0.156 nan 8.230 nan 0.000 0.433 5040 A N -0.391 122.473 122.820 0.073 0.000 1.898 5040 A HA -0.105 4.215 4.320 0.000 0.000 0.216 5040 A C 2.316 180.079 177.584 0.298 0.000 1.181 5040 A CA 1.444 53.554 52.037 0.122 0.000 0.620 5040 A CB -0.706 18.282 19.000 -0.022 0.000 0.819 5040 A HN 0.179 nan 8.150 nan 0.000 0.442 5041 V N 0.021 120.056 119.914 0.202 0.000 2.427 5041 V HA -0.202 3.918 4.120 0.000 0.000 0.248 5041 V C 2.651 178.894 176.094 0.249 0.000 1.051 5041 V CA 2.244 64.683 62.300 0.233 0.000 1.048 5041 V CB -0.785 31.124 31.823 0.144 0.000 0.666 5041 V HN 0.615 nan 8.190 nan 0.000 0.456 5042 R N 1.176 121.779 120.500 0.173 0.000 2.081 5042 R HA -0.079 4.261 4.340 0.000 0.000 0.235 5042 R C 2.146 178.536 176.300 0.151 0.000 1.131 5042 R CA 1.893 58.076 56.100 0.138 0.000 0.960 5042 R CB -0.930 29.423 30.300 0.088 0.000 0.856 5042 R HN 0.439 nan 8.270 nan 0.000 0.436 5043 A N -0.472 122.463 122.820 0.192 0.000 1.902 5043 A HA -0.125 4.195 4.320 0.000 0.000 0.217 5043 A C 2.176 179.858 177.584 0.163 0.000 1.181 5043 A CA 1.363 53.514 52.037 0.190 0.000 0.623 5043 A CB -0.848 18.310 19.000 0.264 0.000 0.818 5043 A HN 0.485 nan 8.150 nan 0.000 0.443 5044 F N 0.931 120.929 119.950 0.081 0.000 2.075 5044 F HA -0.089 4.438 4.527 0.000 0.000 0.297 5044 F C 2.557 178.309 175.800 -0.080 0.000 1.113 5044 F CA 1.490 59.409 58.000 -0.135 0.000 1.218 5044 F CB -0.345 38.593 39.000 -0.103 0.000 0.984 5044 F HN 0.249 nan 8.300 nan 0.000 0.472 5045 A N -0.140 122.820 122.820 0.233 0.000 1.940 5045 A HA -0.212 4.108 4.320 0.000 0.000 0.219 5045 A C 1.878 179.453 177.584 -0.014 0.000 1.176 5045 A CA 2.110 54.222 52.037 0.126 0.000 0.631 5045 A CB -0.952 18.142 19.000 0.158 0.000 0.814 5045 A HN 0.471 nan 8.150 nan 0.000 0.446 5046 D N -0.198 120.196 120.400 -0.010 0.000 2.183 5046 D HA 0.068 4.708 4.640 0.000 0.000 0.203 5046 D C 2.170 178.414 176.300 -0.093 0.000 0.969 5046 D CA 1.221 55.199 54.000 -0.036 0.000 0.842 5046 D CB -0.390 40.407 40.800 -0.004 0.000 0.957 5046 D HN 0.414 nan 8.370 nan 0.000 0.484 5047 A N 0.732 123.458 122.820 -0.156 0.000 1.972 5047 A HA -0.119 4.201 4.320 0.000 0.000 0.219 5047 A C 2.241 179.682 177.584 -0.239 0.000 1.169 5047 A CA 0.792 52.700 52.037 -0.216 0.000 0.635 5047 A CB -0.729 18.071 19.000 -0.333 0.000 0.810 5047 A HN 0.235 nan 8.150 nan 0.000 0.446 5048 L N -0.417 120.644 121.223 -0.269 0.000 2.265 5048 L HA -0.122 4.218 4.340 0.000 0.000 0.215 5048 L C 1.960 178.745 176.870 -0.142 0.000 1.117 5048 L CA 0.733 55.439 54.840 -0.223 0.000 0.782 5048 L CB -0.467 41.471 42.059 -0.203 0.000 0.914 5048 L HN 0.315 nan 8.230 nan 0.000 0.441 5049 E N -0.228 119.902 120.200 -0.117 0.000 2.478 5049 E HA -0.115 4.235 4.350 0.000 0.000 0.198 5049 E C 2.179 178.732 176.600 -0.079 0.000 1.046 5049 E CA 0.514 56.862 56.400 -0.088 0.000 0.870 5049 E CB -0.075 29.583 29.700 -0.070 0.000 0.818 5049 E HN 0.293 nan 8.360 nan 0.000 0.527 5050 V N 0.977 120.837 119.914 -0.090 0.000 2.594 5050 V HA -0.203 3.917 4.120 0.000 0.000 0.253 5050 V C 1.818 177.871 176.094 -0.068 0.000 1.069 5050 V CA 0.957 63.211 62.300 -0.076 0.000 1.082 5050 V CB -0.190 31.582 31.823 -0.084 0.000 0.680 5050 V HN 0.132 nan 8.190 nan 0.000 0.469 5051 I N 0.552 121.078 120.570 -0.073 0.000 2.235 5051 I HA -0.016 4.154 4.170 0.000 0.000 0.241 5051 I C 0.196 176.282 176.117 -0.052 0.000 1.085 5051 I CA 1.365 62.628 61.300 -0.062 0.000 1.378 5051 I CB -2.822 35.139 38.000 -0.064 0.000 1.076 5051 I HN 0.319 nan 8.210 nan 0.000 0.415 5052 P HA -0.170 nan 4.420 nan 0.000 0.216 5052 P C 1.849 179.124 177.300 -0.042 0.000 1.150 5052 P CA 1.571 64.644 63.100 -0.045 0.000 0.843 5052 P CB -0.162 31.508 31.700 -0.050 0.000 0.787 5053 R N -0.225 120.247 120.500 -0.046 0.000 2.073 5053 R HA -0.108 4.232 4.340 0.000 0.000 0.234 5053 R C 1.950 178.226 176.300 -0.041 0.000 1.134 5053 R CA 2.331 58.406 56.100 -0.042 0.000 0.952 5053 R CB -0.846 29.428 30.300 -0.043 0.000 0.850 5053 R HN 0.242 nan 8.270 nan 0.000 0.433 5054 T N -0.950 113.577 114.554 -0.044 0.000 3.043 5054 T HA -0.054 4.296 4.350 0.000 0.000 0.263 5054 T C 1.777 176.450 174.700 -0.046 0.000 1.094 5054 T CA 0.539 62.613 62.100 -0.044 0.000 1.127 5054 T CB -0.095 68.747 68.868 -0.044 0.000 0.905 5054 T HN 0.174 nan 8.240 nan 0.000 0.490 5055 L N 1.875 123.070 121.223 -0.047 0.000 2.027 5055 L HA 0.278 4.618 4.340 0.000 0.000 0.206 5055 L C 2.770 179.606 176.870 -0.056 0.000 1.074 5055 L CA 1.890 56.699 54.840 -0.052 0.000 0.745 5055 L CB -1.167 40.865 42.059 -0.046 0.000 0.898 5055 L HN 0.314 nan 8.230 nan 0.000 0.433 5056 A N -1.095 121.697 122.820 -0.046 0.000 1.929 5056 A HA -0.190 4.130 4.320 0.000 0.000 0.216 5056 A C 2.297 179.856 177.584 -0.043 0.000 1.176 5056 A CA 1.371 53.382 52.037 -0.044 0.000 0.628 5056 A CB -0.669 18.311 19.000 -0.033 0.000 0.816 5056 A HN 0.595 nan 8.150 nan 0.000 0.444 5057 E N 0.160 120.336 120.200 -0.040 0.000 2.038 5057 E HA -0.250 4.100 4.350 0.000 0.000 0.195 5057 E C 1.585 178.160 176.600 -0.040 0.000 1.000 5057 E CA 1.552 57.930 56.400 -0.036 0.000 0.803 5057 E CB -0.154 29.526 29.700 -0.034 0.000 0.750 5057 E HN 0.536 nan 8.360 nan 0.000 0.448 5058 N N 0.206 118.878 118.700 -0.046 0.000 2.309 5058 N HA -0.092 4.648 4.740 0.000 0.000 0.182 5058 N C 1.413 176.887 175.510 -0.060 0.000 1.018 5058 N CA 1.107 54.127 53.050 -0.050 0.000 0.876 5058 N CB -0.295 38.160 38.487 -0.053 0.000 0.972 5058 N HN 0.235 nan 8.380 nan 0.000 0.434 5059 A N 0.030 122.808 122.820 -0.069 0.000 2.119 5059 A HA 0.266 4.586 4.320 0.000 0.000 0.217 5059 A C 1.533 179.080 177.584 -0.061 0.000 1.153 5059 A CA 1.150 53.137 52.037 -0.082 0.000 0.692 5059 A CB -0.513 18.431 19.000 -0.094 0.000 0.799 5059 A HN 0.335 nan 8.150 nan 0.000 0.458 5060 G N -1.599 107.173 108.800 -0.047 0.000 2.137 5060 G HA2 -0.195 3.765 3.960 0.000 0.000 0.237 5060 G HA3 -0.195 3.765 3.960 0.000 0.000 0.237 5060 G C -0.021 174.861 174.900 -0.030 0.000 1.002 5060 G CA 0.352 45.431 45.100 -0.036 0.000 0.702 5060 G HN 0.459 nan 8.290 nan 0.000 0.515 5061 L N 0.071 121.275 121.223 -0.032 0.000 2.352 5061 L HA 0.479 4.819 4.340 0.000 0.000 0.269 5061 L C 0.475 177.332 176.870 -0.022 0.000 1.034 5061 L CA -1.109 53.715 54.840 -0.026 0.000 0.806 5061 L CB 0.964 43.007 42.059 -0.028 0.000 1.244 5061 L HN 0.090 nan 8.230 nan 0.000 0.447 5062 D N 1.109 121.499 120.400 -0.017 0.000 2.363 5062 D HA 0.060 4.700 4.640 0.000 0.000 0.263 5062 D C 0.784 177.075 176.300 -0.016 0.000 1.258 5062 D CA 0.221 54.212 54.000 -0.015 0.000 0.907 5062 D CB 1.716 42.510 40.800 -0.011 0.000 1.107 5062 D HN 0.649 nan 8.370 nan 0.000 0.495 5063 A N 5.418 128.227 122.820 -0.019 0.000 1.917 5063 A HA -0.205 4.115 4.320 0.000 0.000 0.219 5063 A C 2.106 179.680 177.584 -0.018 0.000 1.182 5063 A CA 0.972 52.996 52.037 -0.021 0.000 0.633 5063 A CB -0.209 18.778 19.000 -0.022 0.000 0.819 5063 A HN 0.704 nan 8.150 nan 0.000 0.448 5064 I N -0.330 120.232 120.570 -0.014 0.000 2.193 5064 I HA -0.105 4.065 4.170 0.000 0.000 0.240 5064 I C 2.379 178.490 176.117 -0.009 0.000 1.084 5064 I CA 1.134 62.427 61.300 -0.011 0.000 1.365 5064 I CB -1.614 36.381 38.000 -0.009 0.000 1.064 5064 I HN 0.311 nan 8.210 nan 0.000 0.410 5065 E N 0.717 120.912 120.200 -0.007 0.000 2.110 5065 E HA -0.145 4.205 4.350 0.000 0.000 0.193 5065 E C 2.303 178.902 176.600 -0.003 0.000 0.988 5065 E CA 0.918 57.316 56.400 -0.004 0.000 0.804 5065 E CB -0.085 29.613 29.700 -0.003 0.000 0.745 5065 E HN 0.347 nan 8.360 nan 0.000 0.458 5066 I N 0.605 121.171 120.570 -0.006 0.000 2.163 5066 I HA -0.224 3.946 4.170 0.000 0.000 0.240 5066 I C 2.326 178.440 176.117 -0.005 0.000 1.081 5066 I CA 0.778 62.075 61.300 -0.005 0.000 1.353 5066 I CB -0.956 37.038 38.000 -0.011 0.000 1.054 5066 I HN 0.118 nan 8.210 nan 0.000 0.407 5067 L N 0.110 121.327 121.223 -0.010 0.000 2.083 5067 L HA -0.151 4.189 4.340 0.000 0.000 0.209 5067 L C 2.549 179.414 176.870 -0.007 0.000 1.083 5067 L CA 1.314 56.145 54.840 -0.014 0.000 0.752 5067 L CB -0.983 41.064 42.059 -0.020 0.000 0.899 5067 L HN 0.001 nan 8.230 nan 0.000 0.433 5068 V N -1.227 118.685 119.914 -0.003 0.000 2.323 5068 V HA -0.223 3.897 4.120 0.000 0.000 0.244 5068 V C 2.504 178.604 176.094 0.010 0.000 1.041 5068 V CA 1.319 63.621 62.300 0.003 0.000 1.025 5068 V CB -0.381 31.443 31.823 0.003 0.000 0.656 5068 V HN 0.285 nan 8.190 nan 0.000 0.451 5069 K N -0.082 120.324 120.400 0.010 0.000 2.148 5069 K HA -0.050 4.270 4.320 0.000 0.000 0.204 5069 K C 1.887 178.502 176.600 0.026 0.000 1.050 5069 K CA 0.953 57.250 56.287 0.016 0.000 0.942 5069 K CB -0.529 31.979 32.500 0.013 0.000 0.724 5069 K HN 0.305 nan 8.250 nan 0.000 0.446 5070 V N 0.547 120.476 119.914 0.025 0.000 2.323 5070 V HA -0.168 3.952 4.120 0.000 0.000 0.244 5070 V C 2.139 178.271 176.094 0.063 0.000 1.041 5070 V CA 1.534 63.858 62.300 0.040 0.000 1.025 5070 V CB -0.304 31.533 31.823 0.023 0.000 0.656 5070 V HN 0.244 nan 8.190 nan 0.000 0.451 5071 R N 0.093 120.613 120.500 0.034 0.000 2.096 5071 R HA -0.103 4.237 4.340 0.000 0.000 0.235 5071 R C 2.418 178.764 176.300 0.077 0.000 1.127 5071 R CA 1.423 57.547 56.100 0.040 0.000 0.968 5071 R CB -0.546 29.755 30.300 0.001 0.000 0.861 5071 R HN 0.534 nan 8.270 nan 0.000 0.440 5072 A N 1.250 124.102 122.820 0.052 0.000 1.877 5072 A HA -0.100 4.220 4.320 0.000 0.000 0.216 5072 A C 2.364 179.980 177.584 0.053 0.000 1.186 5072 A CA 1.672 53.737 52.037 0.046 0.000 0.620 5072 A CB -0.587 18.431 19.000 0.029 0.000 0.822 5072 A HN 0.387 nan 8.150 nan 0.000 0.443 5073 A N -1.201 121.652 122.820 0.056 0.000 1.930 5073 A HA -0.143 4.177 4.320 0.000 0.000 0.217 5073 A C 1.991 179.607 177.584 0.053 0.000 1.175 5073 A CA 2.011 54.076 52.037 0.046 0.000 0.627 5073 A CB -0.832 18.194 19.000 0.044 0.000 0.815 5073 A HN 0.774 nan 8.150 nan 0.000 0.443 5074 H N -0.249 118.825 119.070 0.006 0.000 2.321 5074 H HA 0.045 4.601 4.556 0.000 0.000 0.300 5074 H C 2.206 177.539 175.328 0.008 0.000 1.087 5074 H CA 1.977 58.029 56.048 0.007 0.000 1.319 5074 H CB -0.136 29.630 29.762 0.006 0.000 1.379 5074 H HN 0.400 nan 8.280 nan 0.000 0.501 5075 A N -0.785 122.123 122.820 0.147 0.000 1.930 5075 A HA -0.142 4.178 4.320 0.000 0.000 0.217 5075 A C 2.529 180.124 177.584 0.018 0.000 1.175 5075 A CA 1.753 53.844 52.037 0.090 0.000 0.627 5075 A CB -0.906 18.148 19.000 0.091 0.000 0.815 5075 A HN 0.497 nan 8.150 nan 0.000 0.443 5076 S N -0.411 115.295 115.700 0.011 0.000 2.341 5076 S HA -0.088 4.382 4.470 0.000 0.000 0.216 5076 S C 1.857 176.442 174.600 -0.025 0.000 1.034 5076 S CA 1.255 59.453 58.200 -0.002 0.000 0.964 5076 S CB -0.349 62.855 63.200 0.006 0.000 0.882 5076 S HN 0.610 nan 8.310 nan 0.000 0.469 5077 N N 0.737 119.414 118.700 -0.039 0.000 2.368 5077 N HA 0.291 5.031 4.740 0.000 0.000 0.176 5077 N C 1.012 176.464 175.510 -0.097 0.000 1.021 5077 N CA 1.004 54.022 53.050 -0.053 0.000 0.888 5077 N CB 0.225 38.688 38.487 -0.039 0.000 0.995 5077 N HN 0.599 nan 8.380 nan 0.000 0.437 5078 G N 0.762 109.452 108.800 -0.183 0.000 2.373 5078 G HA2 -0.204 3.756 3.960 0.000 0.000 0.634 5078 G HA3 -0.204 3.756 3.960 0.000 0.000 0.634 5078 G C -0.197 174.414 174.900 -0.483 0.000 1.267 5078 G CA 0.009 44.930 45.100 -0.298 0.000 1.008 5078 G HN 0.320 nan 8.290 nan 0.000 0.497 5079 N N -0.714 117.735 118.700 -0.418 0.000 2.412 5079 N HA 0.121 4.861 4.740 0.000 0.000 0.184 5079 N C 1.272 176.748 175.510 -0.057 0.000 1.101 5079 N CA 1.043 53.951 53.050 -0.236 0.000 0.881 5079 N CB 0.326 38.807 38.487 -0.010 0.000 0.969 5079 N HN 0.369 nan 8.380 nan 0.000 0.459 5080 K N -0.288 120.069 120.400 -0.072 0.000 2.358 5080 K HA 0.286 4.606 4.320 0.000 0.000 0.200 5080 K C -0.421 176.160 176.600 -0.031 0.000 1.030 5080 K CA -0.008 56.260 56.287 -0.032 0.000 1.097 5080 K CB 0.311 32.794 32.500 -0.027 0.000 0.862 5080 K HN 0.203 nan 8.250 nan 0.000 0.534 5081 C N 1.185 120.454 119.300 -0.051 0.000 3.206 5081 C HA 0.724 5.184 4.460 0.000 0.000 0.206 5081 C C 0.500 175.476 174.990 -0.024 0.000 1.836 5081 C CA -0.714 58.283 59.018 -0.035 0.000 1.382 5081 C CB -0.603 27.108 27.740 -0.047 0.000 2.405 5081 C HN 0.424 nan 8.230 nan 0.000 0.516 5082 A N 0.058 122.882 122.820 0.007 0.000 3.963 5082 A HA 0.966 5.286 4.320 0.000 0.000 0.283 5082 A C 0.047 177.674 177.584 0.071 0.000 1.085 5082 A CA 0.332 52.401 52.037 0.053 0.000 0.591 5082 A CB -0.170 18.887 19.000 0.095 0.000 1.632 5082 A HN 2.014 nan 8.150 nan 0.000 0.761 5083 G N -2.006 106.854 108.800 0.100 0.000 2.787 5083 G HA2 0.359 4.319 3.960 0.000 0.000 0.685 5083 G HA3 0.359 4.319 3.960 0.000 0.000 0.685 5083 G C -0.700 174.232 174.900 0.054 0.000 1.437 5083 G CA -0.016 45.128 45.100 0.073 0.000 0.872 5083 G HN 2.092 nan 8.290 nan 0.000 0.566 5084 L N 1.032 122.280 121.223 0.042 0.000 2.276 5084 L HA 0.601 4.941 4.340 0.000 0.000 0.286 5084 L C 0.591 177.494 176.870 0.054 0.000 1.061 5084 L CA -0.668 54.193 54.840 0.034 0.000 0.807 5084 L CB 1.272 43.337 42.059 0.011 0.000 1.177 5084 L HN 0.698 nan 8.230 nan 0.000 0.429 5085 N N 4.233 122.973 118.700 0.066 0.000 2.699 5085 N HA 0.109 4.849 4.740 0.000 0.000 0.232 5085 N C 0.925 176.485 175.510 0.082 0.000 1.027 5085 N CA -0.127 52.994 53.050 0.119 0.000 0.920 5085 N CB 1.137 39.701 38.487 0.128 0.000 1.148 5085 N HN 0.703 nan 8.380 nan 0.000 0.509 5086 V N 1.621 121.539 119.914 0.007 0.000 2.913 5086 V HA -0.075 4.045 4.120 0.000 0.000 0.260 5086 V C 1.514 177.524 176.094 -0.140 0.000 1.098 5086 V CA 1.015 63.249 62.300 -0.110 0.000 1.121 5086 V CB -1.131 30.560 31.823 -0.220 0.000 0.714 5086 V HN 0.408 nan 8.190 nan 0.000 0.487 5087 F N 2.696 122.646 119.950 -0.001 0.000 2.134 5087 F HA -0.097 4.430 4.527 0.000 0.000 0.299 5087 F C 2.772 178.571 175.800 -0.001 0.000 1.097 5087 F CA 2.154 60.153 58.000 -0.001 0.000 1.264 5087 F CB -0.655 38.344 39.000 -0.001 0.000 1.001 5087 F HN 0.386 nan 8.300 nan 0.000 0.479 5088 T N -3.699 110.964 114.554 0.181 0.000 3.044 5088 T HA 0.373 4.724 4.350 0.000 0.000 0.250 5088 T C 1.496 176.227 174.700 0.051 0.000 1.081 5088 T CA 0.417 62.574 62.100 0.095 0.000 1.040 5088 T CB 0.181 69.095 68.868 0.077 0.000 0.962 5088 T HN 0.427 nan 8.240 nan 0.000 0.506 5089 G N 0.958 109.780 108.800 0.037 0.000 2.248 5089 G HA2 0.249 4.209 3.960 0.000 0.000 0.263 5089 G HA3 0.249 4.209 3.960 0.000 0.000 0.263 5089 G C 0.054 174.961 174.900 0.012 0.000 1.082 5089 G CA -0.228 44.876 45.100 0.007 0.000 0.863 5089 G HN 1.395 nan 8.290 nan 0.000 0.495 5090 A N -1.637 121.197 122.820 0.023 0.000 2.612 5090 A HA 0.891 5.211 4.320 0.000 0.000 0.293 5090 A C 0.039 177.640 177.584 0.029 0.000 1.075 5090 A CA 0.121 52.171 52.037 0.022 0.000 0.680 5090 A CB 1.531 20.545 19.000 0.023 0.000 1.279 5090 A HN 1.805 nan 8.150 nan 0.000 0.411 5091 V N 1.674 121.603 119.914 0.025 0.000 2.673 5091 V HA 0.434 4.554 4.120 0.000 0.000 0.303 5091 V C -0.044 176.070 176.094 0.032 0.000 1.046 5091 V CA 0.951 63.270 62.300 0.030 0.000 1.126 5091 V CB 0.457 32.297 31.823 0.029 0.000 0.934 5091 V HN 0.918 nan 8.190 nan 0.000 0.487 5092 E N 3.869 124.092 120.200 0.038 0.000 2.390 5092 E HA 0.383 4.733 4.350 0.000 0.000 0.242 5092 E C -1.478 175.141 176.600 0.031 0.000 0.907 5092 E CA -0.668 55.752 56.400 0.033 0.000 0.884 5092 E CB 0.846 30.569 29.700 0.040 0.000 1.788 5092 E HN 0.720 nan 8.360 nan 0.000 0.427 5093 D N 1.311 121.725 120.400 0.024 0.000 2.460 5093 D HA 0.186 4.826 4.640 0.000 0.000 0.232 5093 D C 0.799 177.111 176.300 0.020 0.000 1.079 5093 D CA -0.279 53.731 54.000 0.017 0.000 0.864 5093 D CB 0.677 41.481 40.800 0.006 0.000 1.048 5093 D HN 0.185 nan 8.370 nan 0.000 0.523 5094 M N 1.831 121.448 119.600 0.029 0.000 2.132 5094 M HA -0.120 4.360 4.480 0.000 0.000 0.263 5094 M C 2.339 178.649 176.300 0.017 0.000 1.065 5094 M CA 0.697 56.015 55.300 0.031 0.000 1.122 5094 M CB -1.200 31.425 32.600 0.043 0.000 1.365 5094 M HN 0.554 nan 8.290 nan 0.000 0.411 5095 C N 0.765 120.073 119.300 0.013 0.000 2.436 5095 C HA -0.186 4.274 4.460 0.000 0.000 0.277 5095 C C 2.686 177.675 174.990 -0.001 0.000 1.241 5095 C CA 1.690 60.711 59.018 0.005 0.000 1.721 5095 C CB -0.863 26.878 27.740 0.001 0.000 2.043 5095 C HN 0.582 nan 8.230 nan 0.000 0.472 5096 E N 1.068 121.267 120.200 -0.002 0.000 2.150 5096 E HA -0.108 4.242 4.350 0.000 0.000 0.193 5096 E C 1.658 178.253 176.600 -0.009 0.000 0.985 5096 E CA 1.371 57.767 56.400 -0.006 0.000 0.814 5096 E CB -0.468 29.229 29.700 -0.005 0.000 0.752 5096 E HN 0.645 nan 8.360 nan 0.000 0.466 5097 N N -0.228 118.467 118.700 -0.007 0.000 2.521 5097 N HA 0.035 4.775 4.740 0.000 0.000 0.188 5097 N C 0.660 176.155 175.510 -0.026 0.000 1.146 5097 N CA 0.963 54.003 53.050 -0.017 0.000 0.893 5097 N CB 0.470 38.950 38.487 -0.011 0.000 0.975 5097 N HN 0.306 nan 8.380 nan 0.000 0.451 5098 G N -0.134 108.656 108.800 -0.018 0.000 2.153 5098 G HA2 -0.264 3.696 3.960 0.000 0.000 0.252 5098 G HA3 -0.264 3.696 3.960 0.000 0.000 0.252 5098 G C -0.089 174.801 174.900 -0.017 0.000 0.994 5098 G CA 0.200 45.288 45.100 -0.019 0.000 0.698 5098 G HN 0.202 nan 8.290 nan 0.000 0.521 5099 V N 1.440 121.350 119.914 -0.006 0.000 2.267 5099 V HA 0.514 4.634 4.120 0.000 0.000 0.254 5099 V C 0.751 176.855 176.094 0.016 0.000 1.144 5099 V CA 0.077 62.382 62.300 0.008 0.000 0.992 5099 V CB 0.548 32.388 31.823 0.029 0.000 1.199 5099 V HN 1.035 nan 8.190 nan 0.000 0.493 5100 V N 1.790 121.711 119.914 0.011 0.000 3.007 5100 V HA 0.911 5.031 4.120 0.000 0.000 0.311 5100 V C -0.696 175.405 176.094 0.012 0.000 1.120 5100 V CA -0.742 61.565 62.300 0.012 0.000 0.980 5100 V CB 2.509 34.336 31.823 0.007 0.000 1.033 5100 V HN 0.688 nan 8.190 nan 0.000 0.429 5101 E N 1.721 121.928 120.200 0.012 0.000 2.393 5101 E HA 0.646 4.996 4.350 0.000 0.000 0.273 5101 E C -3.273 173.332 176.600 0.008 0.000 0.918 5101 E CA -2.369 54.038 56.400 0.011 0.000 0.773 5101 E CB 2.050 31.758 29.700 0.013 0.000 1.275 5101 E HN 0.457 nan 8.360 nan 0.000 0.451 5102 P HA -0.020 nan 4.420 nan 0.000 0.266 5102 P C 0.804 178.107 177.300 0.005 0.000 1.195 5102 P CA -0.259 62.844 63.100 0.005 0.000 0.768 5102 P CB 0.452 32.154 31.700 0.003 0.000 0.838 5103 L N 4.441 125.667 121.223 0.005 0.000 2.046 5103 L HA -0.135 4.205 4.340 0.000 0.000 0.208 5103 L C 2.402 179.275 176.870 0.005 0.000 1.077 5103 L CA 1.790 56.633 54.840 0.005 0.000 0.747 5103 L CB -0.848 41.214 42.059 0.004 0.000 0.896 5103 L HN 0.294 nan 8.230 nan 0.000 0.432 5104 R N -0.970 119.532 120.500 0.004 0.000 2.117 5104 R HA -0.177 4.163 4.340 0.000 0.000 0.243 5104 R C 2.026 178.328 176.300 0.004 0.000 1.143 5104 R CA 1.992 58.094 56.100 0.003 0.000 0.968 5104 R CB -0.400 29.902 30.300 0.003 0.000 0.863 5104 R HN 0.378 nan 8.270 nan 0.000 0.444 5105 V N 1.284 121.200 119.914 0.004 0.000 2.332 5105 V HA -0.253 3.867 4.120 0.000 0.000 0.248 5105 V C 2.284 178.380 176.094 0.002 0.000 1.055 5105 V CA 1.849 64.151 62.300 0.003 0.000 1.038 5105 V CB -0.347 31.478 31.823 0.003 0.000 0.651 5105 V HN 0.309 nan 8.190 nan 0.000 0.450 5106 K N 0.232 120.634 120.400 0.003 0.000 2.186 5106 K HA -0.035 4.285 4.320 0.000 0.000 0.202 5106 K C 2.262 178.867 176.600 0.007 0.000 1.052 5106 K CA 1.653 57.942 56.287 0.003 0.000 0.965 5106 K CB -0.674 31.828 32.500 0.005 0.000 0.746 5106 K HN 0.718 nan 8.250 nan 0.000 0.457 5107 T N -1.211 113.348 114.554 0.008 0.000 2.978 5107 T HA -0.082 4.268 4.350 0.000 0.000 0.262 5107 T C 2.016 176.724 174.700 0.012 0.000 1.063 5107 T CA 0.698 62.804 62.100 0.010 0.000 1.140 5107 T CB 0.036 68.908 68.868 0.007 0.000 0.886 5107 T HN -0.047 nan 8.240 nan 0.000 0.470 5108 Q N 1.827 121.632 119.800 0.009 0.000 2.123 5108 Q HA 0.261 4.601 4.340 0.000 0.000 0.199 5108 Q C 2.408 178.415 176.000 0.011 0.000 0.966 5108 Q CA 1.608 57.417 55.803 0.009 0.000 0.845 5108 Q CB -0.925 27.817 28.738 0.006 0.000 0.907 5108 Q HN 0.624 nan 8.270 nan 0.000 0.439 5109 A N 0.573 123.397 122.820 0.007 0.000 1.883 5109 A HA -0.174 4.146 4.320 0.000 0.000 0.217 5109 A C 1.952 179.543 177.584 0.011 0.000 1.186 5109 A CA 1.590 53.628 52.037 0.002 0.000 0.624 5109 A CB -0.750 18.246 19.000 -0.008 0.000 0.822 5109 A HN 0.451 nan 8.150 nan 0.000 0.444 5110 I N -0.134 120.451 120.570 0.025 0.000 2.179 5110 I HA -0.263 3.907 4.170 0.000 0.000 0.242 5110 I C 2.660 178.819 176.117 0.069 0.000 1.088 5110 I CA 1.659 62.997 61.300 0.063 0.000 1.357 5110 I CB -1.634 36.413 38.000 0.077 0.000 1.051 5110 I HN 0.493 nan 8.210 nan 0.000 0.409 5111 Q N 0.202 120.028 119.800 0.043 0.000 1.993 5111 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 5111 Q C 2.465 178.488 176.000 0.040 0.000 0.984 5111 Q CA 2.203 58.028 55.803 0.037 0.000 0.837 5111 Q CB -0.168 28.584 28.738 0.023 0.000 0.902 5111 Q HN 0.376 nan 8.270 nan 0.000 0.423 5112 S N 0.503 116.221 115.700 0.030 0.000 2.383 5112 S HA -0.130 4.340 4.470 0.000 0.000 0.227 5112 S C 1.986 176.604 174.600 0.031 0.000 1.026 5112 S CA 0.928 59.144 58.200 0.027 0.000 0.981 5112 S CB -0.263 62.947 63.200 0.017 0.000 0.818 5112 S HN 0.477 nan 8.310 nan 0.000 0.472 5113 A N 1.630 124.467 122.820 0.028 0.000 1.873 5113 A HA 0.155 4.475 4.320 0.000 0.000 0.215 5113 A C 2.363 179.978 177.584 0.051 0.000 1.186 5113 A CA 1.649 53.699 52.037 0.022 0.000 0.616 5113 A CB -1.134 17.862 19.000 -0.007 0.000 0.823 5113 A HN 0.505 nan 8.150 nan 0.000 0.442 5114 A N -0.529 122.345 122.820 0.090 0.000 1.898 5114 A HA -0.119 4.201 4.320 0.000 0.000 0.216 5114 A C 1.943 179.602 177.584 0.125 0.000 1.181 5114 A CA 1.674 53.801 52.037 0.150 0.000 0.620 5114 A CB -0.369 18.748 19.000 0.195 0.000 0.819 5114 A HN 0.453 nan 8.150 nan 0.000 0.442 5115 E N 0.134 120.385 120.200 0.085 0.000 2.107 5115 E HA -0.055 4.295 4.350 0.000 0.000 0.191 5115 E C 2.242 178.881 176.600 0.065 0.000 0.982 5115 E CA 1.242 57.684 56.400 0.070 0.000 0.809 5115 E CB -0.421 29.308 29.700 0.049 0.000 0.756 5115 E HN 0.538 nan 8.360 nan 0.000 0.459 5116 S N 0.426 116.160 115.700 0.057 0.000 2.406 5116 S HA -0.055 4.415 4.470 0.000 0.000 0.228 5116 S C 2.038 176.674 174.600 0.060 0.000 1.020 5116 S CA 1.065 59.294 58.200 0.049 0.000 0.965 5116 S CB -0.108 63.113 63.200 0.036 0.000 0.798 5116 S HN 0.255 nan 8.310 nan 0.000 0.488 5117 T N 1.848 116.449 114.554 0.078 0.000 2.777 5117 T HA -0.085 4.265 4.350 0.000 0.000 0.266 5117 T C 1.847 176.623 174.700 0.128 0.000 1.040 5117 T CA 1.045 63.207 62.100 0.103 0.000 1.141 5117 T CB -0.252 68.694 68.868 0.130 0.000 0.868 5117 T HN 0.356 nan 8.240 nan 0.000 0.444 5118 E N 0.963 121.246 120.200 0.138 0.000 2.110 5118 E HA -0.154 4.196 4.350 0.000 0.000 0.193 5118 E C 2.167 178.812 176.600 0.074 0.000 0.988 5118 E CA 0.867 57.336 56.400 0.115 0.000 0.804 5118 E CB -0.267 29.497 29.700 0.107 0.000 0.745 5118 E HN 0.331 nan 8.360 nan 0.000 0.458 5119 M N 0.938 120.577 119.600 0.065 0.000 2.067 5119 M HA -0.163 4.317 4.480 0.000 0.000 0.260 5119 M C 2.494 178.823 176.300 0.049 0.000 1.069 5119 M CA 1.144 56.475 55.300 0.051 0.000 1.117 5119 M CB -0.862 31.765 32.600 0.046 0.000 1.334 5119 M HN 0.276 nan 8.290 nan 0.000 0.407 5120 L N 0.674 121.928 121.223 0.052 0.000 2.013 5120 L HA -0.264 4.076 4.340 0.000 0.000 0.212 5120 L C 2.284 179.180 176.870 0.043 0.000 1.073 5120 L CA 1.460 56.328 54.840 0.048 0.000 0.753 5120 L CB -0.393 41.692 42.059 0.044 0.000 0.890 5120 L HN 0.355 nan 8.230 nan 0.000 0.432 5121 L N -0.643 120.609 121.223 0.049 0.000 2.201 5121 L HA -0.191 4.149 4.340 0.000 0.000 0.212 5121 L C 2.720 179.602 176.870 0.021 0.000 1.105 5121 L CA 0.912 55.772 54.840 0.033 0.000 0.775 5121 L CB -0.522 41.562 42.059 0.042 0.000 0.913 5121 L HN 0.314 nan 8.230 nan 0.000 0.440 5122 R N 0.187 120.706 120.500 0.031 0.000 2.193 5122 R HA -0.016 4.324 4.340 0.000 0.000 0.213 5122 R C 0.627 176.944 176.300 0.028 0.000 1.055 5122 R CA 0.275 56.392 56.100 0.029 0.000 0.995 5122 R CB 0.307 30.627 30.300 0.034 0.000 0.893 5122 R HN 0.104 nan 8.270 nan 0.000 0.459 5123 I N 3.081 123.671 120.570 0.033 0.000 2.471 5123 I HA -0.021 4.149 4.170 0.000 0.000 0.286 5123 I C 0.188 176.326 176.117 0.035 0.000 1.079 5123 I CA 0.306 61.628 61.300 0.037 0.000 1.398 5123 I CB 1.127 39.155 38.000 0.047 0.000 1.403 5123 I HN 0.219 nan 8.210 nan 0.000 0.530 5124 D N 2.690 123.111 120.400 0.034 0.000 2.540 5124 D HA 0.153 4.793 4.640 0.000 0.000 0.229 5124 D C -0.208 176.119 176.300 0.045 0.000 1.250 5124 D CA -0.137 53.883 54.000 0.033 0.000 0.817 5124 D CB 0.462 41.272 40.800 0.018 0.000 1.060 5124 D HN 0.360 nan 8.370 nan 0.000 0.508 5125 D N 0.208 120.639 120.400 0.050 0.000 2.738 5125 D HA 0.266 4.906 4.640 0.000 0.000 0.218 5125 D C -1.648 174.685 176.300 0.054 0.000 1.345 5125 D CA -0.440 53.590 54.000 0.051 0.000 0.943 5125 D CB 2.000 42.818 40.800 0.031 0.000 1.514 5125 D HN -0.163 nan 8.370 nan 0.000 0.585 5126 V N 4.354 124.313 119.914 0.075 0.000 2.444 5126 V HA 0.554 4.674 4.120 0.000 0.000 0.294 5126 V C -0.136 175.973 176.094 0.026 0.000 1.022 5126 V CA -0.666 61.673 62.300 0.065 0.000 0.850 5126 V CB 1.545 33.432 31.823 0.108 0.000 0.992 5126 V HN 0.416 nan 8.190 nan 0.000 0.426 5127 I N 4.219 124.786 120.570 -0.005 0.000 2.382 5127 I HA 0.681 4.851 4.170 0.000 0.000 0.285 5127 I C 0.367 176.461 176.117 -0.040 0.000 1.007 5127 I CA -0.248 61.030 61.300 -0.037 0.000 1.142 5127 I CB 1.835 39.816 38.000 -0.031 0.000 1.289 5127 I HN 0.645 nan 8.210 nan 0.000 0.453 5128 A N 5.394 128.178 122.820 -0.061 0.000 2.394 5128 A HA 0.862 5.182 4.320 0.000 0.000 0.333 5128 A C 0.341 177.896 177.584 -0.049 0.000 1.397 5128 A CA -0.558 51.447 52.037 -0.053 0.000 0.884 5128 A CB 0.225 19.184 19.000 -0.067 0.000 1.147 5128 A HN 0.752 nan 8.150 nan 0.000 0.505 5129 A N 2.011 124.810 122.820 -0.035 0.000 2.425 5129 A HA 0.502 4.822 4.320 0.000 0.000 0.242 5129 A C 0.584 178.155 177.584 -0.022 0.000 1.077 5129 A CA -0.067 51.952 52.037 -0.029 0.000 0.781 5129 A CB 0.115 19.102 19.000 -0.021 0.000 1.020 5129 A HN 0.861 nan 8.150 nan 0.000 0.494 5130 E N 0.000 120.188 120.200 -0.020 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 -0.013 0.000 0.976 5130 E CB 0.000 29.692 29.700 -0.012 0.000 0.812 5130 E HN 0.000 nan 8.360 nan 0.000 0.440