REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3izh_1_H DATA FIRST_RESID 3592 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 3592 V HA 0.000 nan 4.120 nan 0.000 0.244 3592 V C 0.000 176.088 176.094 -0.010 0.000 1.182 3592 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 3592 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 3593 L N 2.511 123.726 121.223 -0.013 0.000 2.325 3593 L HA 0.553 4.893 4.340 -0.000 0.000 0.279 3593 L C -2.188 174.674 176.870 -0.014 0.000 1.054 3593 L CA -1.543 53.288 54.840 -0.013 0.000 0.804 3593 L CB 0.865 42.913 42.059 -0.017 0.000 1.200 3593 L HN 0.163 nan 8.230 nan 0.000 0.436 3594 P HA -0.009 nan 4.420 nan 0.000 0.264 3594 P C -0.445 176.847 177.300 -0.014 0.000 1.193 3594 P CA -0.143 62.951 63.100 -0.011 0.000 0.763 3594 P CB 0.401 32.096 31.700 -0.009 0.000 0.810 3595 E N 3.251 123.443 120.200 -0.014 0.000 2.452 3595 E HA -0.114 4.236 4.350 -0.000 0.000 0.261 3595 E C 0.844 177.436 176.600 -0.015 0.000 0.987 3595 E CA 0.389 56.779 56.400 -0.016 0.000 0.926 3595 E CB 0.010 29.702 29.700 -0.014 0.000 0.934 3595 E HN 0.618 nan 8.360 nan 0.000 0.452 3596 N N 2.456 121.145 118.700 -0.018 0.000 2.990 3596 N HA -0.146 4.594 4.740 -0.000 0.000 0.163 3596 N C -0.614 174.885 175.510 -0.018 0.000 1.452 3596 N CA 0.223 53.263 53.050 -0.016 0.000 1.624 3596 N CB -0.630 37.850 38.487 -0.011 0.000 1.088 3596 N HN 0.388 nan 8.380 nan 0.000 0.695 3597 M N 2.059 121.646 119.600 -0.020 0.000 2.228 3597 M HA 0.227 4.707 4.480 -0.000 0.000 0.351 3597 M C 0.301 176.578 176.300 -0.037 0.000 1.233 3597 M CA 0.553 55.840 55.300 -0.021 0.000 1.129 3597 M CB 0.842 33.431 32.600 -0.018 0.000 1.604 3597 M HN 0.162 nan 8.290 nan 0.000 0.457 3598 K N 2.269 122.649 120.400 -0.034 0.000 2.316 3598 K HA 0.621 4.941 4.320 -0.000 0.000 0.251 3598 K C -1.212 175.344 176.600 -0.073 0.000 0.934 3598 K CA -0.573 55.667 56.287 -0.077 0.000 0.802 3598 K CB 1.963 34.441 32.500 -0.038 0.000 1.171 3598 K HN 0.676 nan 8.250 nan 0.000 0.426 3599 R N 3.086 123.459 120.500 -0.212 0.000 2.621 3599 R HA 0.430 4.770 4.340 -0.000 0.000 0.284 3599 R C -1.521 174.569 176.300 -0.350 0.000 0.998 3599 R CA -0.599 55.420 56.100 -0.136 0.000 0.895 3599 R CB 0.894 31.152 30.300 -0.070 0.000 1.195 3599 R HN 0.626 nan 8.270 nan 0.000 0.450 3600 Y N 4.206 124.510 120.300 0.007 0.000 2.462 3600 Y HA 0.541 5.091 4.550 -0.000 0.000 0.346 3600 Y C 0.274 176.181 175.900 0.011 0.000 0.976 3600 Y CA -0.949 57.158 58.100 0.013 0.000 1.044 3600 Y CB 2.228 40.703 38.460 0.026 0.000 1.230 3600 Y HN 0.426 nan 8.280 nan 0.000 0.455 3601 M N 0.861 120.545 119.600 0.141 0.000 2.618 3601 M HA 0.858 5.338 4.480 -0.000 0.000 0.281 3601 M C 0.180 176.519 176.300 0.066 0.000 1.267 3601 M CA -0.144 55.204 55.300 0.080 0.000 0.845 3601 M CB 1.350 33.974 32.600 0.040 0.000 1.732 3601 M HN 0.877 nan 8.290 nan 0.000 0.461 3602 G N 2.282 111.108 108.800 0.043 0.000 2.574 3602 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.286 3602 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.286 3602 G C 0.507 175.425 174.900 0.030 0.000 1.212 3602 G CA 1.067 46.183 45.100 0.027 0.000 0.979 3602 G HN 1.179 nan 8.290 nan 0.000 0.557 3603 R N 0.437 120.952 120.500 0.024 0.000 2.189 3603 R HA -0.042 4.298 4.340 -0.000 0.000 0.223 3603 R C 2.068 178.388 176.300 0.034 0.000 1.092 3603 R CA 1.947 58.059 56.100 0.020 0.000 0.989 3603 R CB -0.373 29.934 30.300 0.012 0.000 0.876 3603 R HN 0.596 nan 8.270 nan 0.000 0.457 3604 D N 0.259 120.696 120.400 0.061 0.000 2.123 3604 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 3604 D C 1.706 178.058 176.300 0.088 0.000 0.976 3604 D CA 1.404 55.463 54.000 0.099 0.000 0.831 3604 D CB -0.126 40.778 40.800 0.175 0.000 0.974 3604 D HN 0.361 nan 8.370 nan 0.000 0.469 3605 A N 0.958 123.839 122.820 0.102 0.000 1.933 3605 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 3605 A C 2.152 179.746 177.584 0.017 0.000 1.175 3605 A CA 1.323 53.405 52.037 0.075 0.000 0.628 3605 A CB -0.517 18.536 19.000 0.089 0.000 0.814 3605 A HN 0.195 nan 8.150 nan 0.000 0.444 3606 Q N -1.110 118.700 119.800 0.016 0.000 2.046 3606 Q HA -0.145 4.194 4.340 -0.000 0.000 0.200 3606 Q C 2.423 178.415 176.000 -0.014 0.000 0.975 3606 Q CA 1.441 57.245 55.803 0.001 0.000 0.836 3606 Q CB -0.197 28.542 28.738 0.002 0.000 0.896 3606 Q HN 0.690 nan 8.270 nan 0.000 0.428 3607 R N 0.688 121.180 120.500 -0.013 0.000 2.083 3607 R HA -0.172 4.168 4.340 -0.000 0.000 0.237 3607 R C 2.292 178.558 176.300 -0.056 0.000 1.137 3607 R CA 1.676 57.761 56.100 -0.025 0.000 0.951 3607 R CB -0.214 30.079 30.300 -0.012 0.000 0.851 3607 R HN 0.293 nan 8.270 nan 0.000 0.434 3608 M N 0.472 120.023 119.600 -0.082 0.000 2.086 3608 M HA -0.204 4.276 4.480 -0.000 0.000 0.261 3608 M C 1.866 178.087 176.300 -0.132 0.000 1.067 3608 M CA 2.335 57.547 55.300 -0.146 0.000 1.116 3608 M CB -0.330 32.122 32.600 -0.248 0.000 1.348 3608 M HN 0.160 nan 8.290 nan 0.000 0.407 3609 N N 0.535 119.186 118.700 -0.082 0.000 2.069 3609 N HA -0.152 4.588 4.740 -0.000 0.000 0.191 3609 N C 1.466 176.944 175.510 -0.054 0.000 1.031 3609 N CA 2.059 55.076 53.050 -0.055 0.000 0.852 3609 N CB -0.354 38.121 38.487 -0.021 0.000 1.018 3609 N HN 0.494 nan 8.380 nan 0.000 0.423 3610 I N -0.411 120.133 120.570 -0.044 0.000 2.179 3610 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 3610 I C 1.704 177.791 176.117 -0.050 0.000 1.088 3610 I CA 0.585 61.864 61.300 -0.034 0.000 1.357 3610 I CB -0.200 37.787 38.000 -0.023 0.000 1.051 3610 I HN 0.194 nan 8.210 nan 0.000 0.409 3611 L N 0.691 121.874 121.223 -0.068 0.000 2.046 3611 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 3611 L C 2.679 179.490 176.870 -0.098 0.000 1.077 3611 L CA 2.126 56.920 54.840 -0.077 0.000 0.747 3611 L CB -1.270 40.737 42.059 -0.087 0.000 0.896 3611 L HN 0.201 nan 8.230 nan 0.000 0.432 3612 A N -0.622 122.116 122.820 -0.137 0.000 1.877 3612 A HA -0.117 4.203 4.320 -0.000 0.000 0.216 3612 A C 2.428 179.957 177.584 -0.092 0.000 1.186 3612 A CA 1.745 53.687 52.037 -0.158 0.000 0.620 3612 A CB -1.386 17.477 19.000 -0.229 0.000 0.822 3612 A HN 0.438 nan 8.150 nan 0.000 0.443 3613 G N -0.396 108.364 108.800 -0.066 0.000 2.418 3613 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 3613 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 3613 G C 1.702 176.580 174.900 -0.036 0.000 1.158 3613 G CA 1.376 46.452 45.100 -0.040 0.000 0.771 3613 G HN 0.552 nan 8.290 nan 0.000 0.545 3614 R N 0.766 121.243 120.500 -0.039 0.000 2.073 3614 R HA 0.039 4.379 4.340 -0.000 0.000 0.234 3614 R C 2.468 178.748 176.300 -0.034 0.000 1.134 3614 R CA 1.361 57.442 56.100 -0.033 0.000 0.952 3614 R CB -0.790 29.491 30.300 -0.032 0.000 0.850 3614 R HN 0.433 nan 8.270 nan 0.000 0.433 3615 I N 0.209 120.753 120.570 -0.044 0.000 2.226 3615 I HA -0.256 3.914 4.170 -0.000 0.000 0.245 3615 I C 1.834 177.931 176.117 -0.034 0.000 1.100 3615 I CA 0.827 62.102 61.300 -0.041 0.000 1.374 3615 I CB -0.282 37.686 38.000 -0.052 0.000 1.057 3615 I HN 0.160 nan 8.210 nan 0.000 0.413 3616 I N 1.096 121.645 120.570 -0.035 0.000 2.226 3616 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 3616 I C 2.848 178.953 176.117 -0.021 0.000 1.100 3616 I CA 1.706 62.991 61.300 -0.025 0.000 1.374 3616 I CB -1.477 36.509 38.000 -0.023 0.000 1.057 3616 I HN 0.189 nan 8.210 nan 0.000 0.413 3617 A N 0.318 123.124 122.820 -0.022 0.000 1.933 3617 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 3617 A C 2.151 179.723 177.584 -0.020 0.000 1.175 3617 A CA 1.311 53.335 52.037 -0.020 0.000 0.628 3617 A CB -0.407 18.581 19.000 -0.021 0.000 0.814 3617 A HN 0.373 nan 8.150 nan 0.000 0.444 3618 E N -0.466 119.722 120.200 -0.021 0.000 2.150 3618 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 3618 E C 1.999 178.589 176.600 -0.017 0.000 0.985 3618 E CA 1.522 57.910 56.400 -0.020 0.000 0.814 3618 E CB -0.590 29.098 29.700 -0.021 0.000 0.752 3618 E HN 0.591 nan 8.360 nan 0.000 0.466 3619 T N 0.932 115.476 114.554 -0.017 0.000 2.857 3619 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 3619 T C 2.099 176.792 174.700 -0.011 0.000 1.048 3619 T CA 1.488 63.580 62.100 -0.013 0.000 1.139 3619 T CB 0.007 68.867 68.868 -0.013 0.000 0.874 3619 T HN 0.201 nan 8.240 nan 0.000 0.455 3620 V N 0.130 120.037 119.914 -0.012 0.000 2.992 3620 V HA 0.272 4.392 4.120 -0.000 0.000 0.250 3620 V C 2.266 178.353 176.094 -0.012 0.000 1.090 3620 V CA 0.735 63.029 62.300 -0.011 0.000 1.101 3620 V CB -0.692 31.125 31.823 -0.010 0.000 0.743 3620 V HN 0.223 nan 8.190 nan 0.000 0.468 3621 R N 2.251 122.742 120.500 -0.015 0.000 2.211 3621 R HA -0.164 4.176 4.340 -0.000 0.000 0.240 3621 R C 2.175 178.466 176.300 -0.014 0.000 1.144 3621 R CA 1.874 57.964 56.100 -0.017 0.000 0.992 3621 R CB -0.449 29.839 30.300 -0.020 0.000 0.869 3621 R HN 0.794 nan 8.270 nan 0.000 0.462 3622 S N -1.662 114.031 115.700 -0.012 0.000 2.595 3622 S HA -0.034 4.436 4.470 -0.000 0.000 0.235 3622 S C 1.285 175.881 174.600 -0.006 0.000 0.974 3622 S CA 1.168 59.363 58.200 -0.009 0.000 0.942 3622 S CB 0.331 63.526 63.200 -0.007 0.000 0.766 3622 S HN 0.272 nan 8.310 nan 0.000 0.536 3623 T N 1.222 115.772 114.554 -0.007 0.000 3.015 3623 T HA 0.336 4.686 4.350 -0.000 0.000 0.250 3623 T C 0.275 174.972 174.700 -0.006 0.000 1.057 3623 T CA -0.422 61.675 62.100 -0.004 0.000 1.066 3623 T CB -0.150 68.716 68.868 -0.003 0.000 0.959 3623 T HN 0.291 nan 8.240 nan 0.000 0.488 3624 L N 2.499 123.716 121.223 -0.010 0.000 2.499 3624 L HA 0.463 4.803 4.340 -0.000 0.000 0.273 3624 L C 0.721 177.583 176.870 -0.014 0.000 1.195 3624 L CA 1.253 56.085 54.840 -0.014 0.000 0.882 3624 L CB -0.770 41.277 42.059 -0.019 0.000 1.133 3624 L HN 0.441 nan 8.230 nan 0.000 0.483 3625 G N 3.865 112.657 108.800 -0.014 0.000 2.663 3625 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 3625 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 3625 G C -1.999 172.896 174.900 -0.007 0.000 1.288 3625 G CA -0.451 44.640 45.100 -0.015 0.000 0.836 3625 G HN 0.502 nan 8.290 nan 0.000 0.584 3626 P HA -0.002 nan 4.420 nan 0.000 0.218 3626 P C 1.396 178.707 177.300 0.017 0.000 1.148 3626 P CA 1.269 64.372 63.100 0.005 0.000 0.822 3626 P CB 0.134 31.831 31.700 -0.004 0.000 0.784 3627 K N -0.503 119.904 120.400 0.010 0.000 2.446 3627 K HA 0.257 4.577 4.320 -0.000 0.000 0.203 3627 K C 0.967 177.573 176.600 0.011 0.000 1.027 3627 K CA -0.047 56.251 56.287 0.018 0.000 1.166 3627 K CB -0.149 32.360 32.500 0.016 0.000 0.869 3627 K HN 0.063 nan 8.250 nan 0.000 0.504 3628 G N 1.854 110.658 108.800 0.007 0.000 2.442 3628 G HA2 0.314 4.274 3.960 -0.000 0.000 0.249 3628 G HA3 0.314 4.274 3.960 -0.000 0.000 0.249 3628 G C 0.310 175.214 174.900 0.007 0.000 1.263 3628 G CA -0.422 44.680 45.100 0.003 0.000 0.846 3628 G HN 0.197 nan 8.290 nan 0.000 0.555 3629 M N 0.701 120.304 119.600 0.005 0.000 2.792 3629 M HA 0.731 5.211 4.480 -0.000 0.000 0.294 3629 M C -0.818 175.485 176.300 0.005 0.000 1.215 3629 M CA -1.041 54.264 55.300 0.007 0.000 0.883 3629 M CB 1.826 34.430 32.600 0.006 0.000 1.620 3629 M HN 0.459 nan 8.290 nan 0.000 0.511 3630 D N -0.679 119.725 120.400 0.005 0.000 2.340 3630 D HA 0.577 5.217 4.640 -0.000 0.000 0.243 3630 D C -1.436 174.866 176.300 0.002 0.000 0.988 3630 D CA -0.784 53.218 54.000 0.004 0.000 0.959 3630 D CB 1.404 42.207 40.800 0.005 0.000 1.226 3630 D HN 0.640 nan 8.370 nan 0.000 0.509 3631 K N -0.110 120.290 120.400 0.001 0.000 2.267 3631 K HA 0.483 4.803 4.320 -0.000 0.000 0.246 3631 K C -0.918 175.682 176.600 0.000 0.000 0.954 3631 K CA -1.040 55.247 56.287 0.000 0.000 0.824 3631 K CB 2.327 34.826 32.500 -0.001 0.000 1.167 3631 K HN 0.483 nan 8.250 nan 0.000 0.431 3632 M N 3.584 123.184 119.600 -0.000 0.000 2.078 3632 M HA 0.316 4.796 4.480 -0.000 0.000 0.320 3632 M C -1.858 174.442 176.300 -0.001 0.000 0.969 3632 M CA -0.966 54.333 55.300 -0.001 0.000 0.929 3632 M CB 0.652 33.252 32.600 -0.001 0.000 1.504 3632 M HN 0.382 nan 8.290 nan 0.000 0.419 3633 L N 5.939 127.162 121.223 -0.001 0.000 2.298 3633 L HA 0.533 4.873 4.340 -0.000 0.000 0.284 3633 L C -0.943 175.927 176.870 -0.001 0.000 1.013 3633 L CA -0.325 54.515 54.840 -0.000 0.000 0.824 3633 L CB 1.960 44.019 42.059 -0.000 0.000 1.221 3633 L HN 0.439 nan 8.230 nan 0.000 0.418 3634 V N 3.168 123.082 119.914 -0.000 0.000 2.326 3634 V HA 0.300 4.420 4.120 -0.000 0.000 0.281 3634 V C -0.268 175.826 176.094 0.000 0.000 1.015 3634 V CA -1.050 61.250 62.300 -0.000 0.000 0.823 3634 V CB 1.197 33.020 31.823 -0.001 0.000 1.009 3634 V HN 0.796 nan 8.190 nan 0.000 0.436 3635 D N 3.488 123.888 120.400 0.000 0.000 2.369 3635 D HA -0.060 4.580 4.640 -0.000 0.000 0.241 3635 D C 1.132 177.432 176.300 0.001 0.000 1.271 3635 D CA -0.197 53.803 54.000 0.001 0.000 0.942 3635 D CB 0.609 41.410 40.800 0.001 0.000 1.129 3635 D HN 0.589 nan 8.370 nan 0.000 0.476 3636 D N -0.397 120.004 120.400 0.001 0.000 2.351 3636 D HA -0.160 4.480 4.640 -0.000 0.000 0.216 3636 D C 1.612 177.912 176.300 0.001 0.000 0.968 3636 D CA 0.620 54.621 54.000 0.001 0.000 0.899 3636 D CB -0.138 40.664 40.800 0.002 0.000 0.907 3636 D HN 0.419 nan 8.370 nan 0.000 0.514 3637 L N -0.983 120.240 121.223 0.001 0.000 2.463 3637 L HA 0.295 4.635 4.340 -0.000 0.000 0.219 3637 L C 1.981 178.851 176.870 -0.000 0.000 1.088 3637 L CA 0.611 55.451 54.840 0.000 0.000 0.849 3637 L CB 0.229 42.288 42.059 0.000 0.000 1.012 3637 L HN 0.324 nan 8.230 nan 0.000 0.468 3638 G N -0.581 108.219 108.800 -0.000 0.000 2.278 3638 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.210 3638 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.210 3638 G C 0.123 175.023 174.900 -0.001 0.000 1.000 3638 G CA -0.066 45.033 45.100 -0.001 0.000 0.635 3638 G HN 0.289 nan 8.290 nan 0.000 0.495 3639 D N 1.025 121.424 120.400 -0.001 0.000 2.472 3639 D HA 0.383 5.023 4.640 -0.000 0.000 0.237 3639 D C 0.351 176.650 176.300 -0.002 0.000 1.141 3639 D CA 0.510 54.509 54.000 -0.001 0.000 0.875 3639 D CB 1.198 41.997 40.800 -0.001 0.000 1.192 3639 D HN 0.383 nan 8.370 nan 0.000 0.450 3640 V N 4.221 124.134 119.914 -0.002 0.000 2.540 3640 V HA 0.404 4.524 4.120 -0.000 0.000 0.302 3640 V C -0.174 175.918 176.094 -0.003 0.000 1.035 3640 V CA -0.936 61.362 62.300 -0.002 0.000 0.873 3640 V CB 1.812 33.633 31.823 -0.003 0.000 0.992 3640 V HN 0.402 nan 8.190 nan 0.000 0.428 3641 V N 6.289 126.202 119.914 -0.002 0.000 2.487 3641 V HA 0.680 4.800 4.120 -0.000 0.000 0.298 3641 V C -0.877 175.216 176.094 -0.002 0.000 1.028 3641 V CA -0.247 62.052 62.300 -0.002 0.000 0.860 3641 V CB 2.106 33.929 31.823 -0.001 0.000 0.991 3641 V HN 0.644 nan 8.190 nan 0.000 0.427 3642 V N 6.332 126.244 119.914 -0.002 0.000 2.376 3642 V HA 0.707 4.827 4.120 -0.000 0.000 0.287 3642 V C 0.057 176.151 176.094 -0.000 0.000 1.015 3642 V CA -0.011 62.288 62.300 -0.001 0.000 0.834 3642 V CB 1.364 33.186 31.823 -0.002 0.000 1.001 3642 V HN 1.027 nan 8.190 nan 0.000 0.428 3643 T N 2.549 117.103 114.554 0.001 0.000 2.787 3643 T HA 0.377 4.727 4.350 -0.000 0.000 0.297 3643 T C 0.246 174.947 174.700 0.002 0.000 1.221 3643 T CA -0.175 61.925 62.100 0.001 0.000 1.006 3643 T CB 1.943 70.811 68.868 0.001 0.000 1.328 3643 T HN 0.654 nan 8.240 nan 0.000 0.509 3644 N N 0.539 119.240 118.700 0.002 0.000 2.273 3644 N HA 0.120 4.860 4.740 -0.000 0.000 0.192 3644 N C -0.105 175.406 175.510 0.000 0.000 1.132 3644 N CA -0.147 52.904 53.050 0.002 0.000 0.887 3644 N CB -0.165 38.324 38.487 0.003 0.000 1.048 3644 N HN 0.603 nan 8.380 nan 0.000 0.490 3645 D N 0.442 120.842 120.400 0.001 0.000 2.450 3645 D HA 0.243 4.883 4.640 -0.000 0.000 0.247 3645 D C 1.463 177.763 176.300 -0.001 0.000 1.162 3645 D CA 0.303 54.303 54.000 0.000 0.000 0.879 3645 D CB 1.057 41.858 40.800 0.001 0.000 1.163 3645 D HN 0.244 nan 8.370 nan 0.000 0.472 3646 G N 2.486 111.285 108.800 -0.001 0.000 2.421 3646 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 3646 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 3646 G C 1.555 176.455 174.900 -0.001 0.000 1.171 3646 G CA 0.728 45.827 45.100 -0.002 0.000 0.775 3646 G HN 0.491 nan 8.290 nan 0.000 0.543 3647 V N 0.965 120.880 119.914 0.000 0.000 2.287 3647 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 3647 V C 3.149 179.244 176.094 0.002 0.000 1.053 3647 V CA 2.417 64.718 62.300 0.001 0.000 1.027 3647 V CB -1.045 30.779 31.823 0.002 0.000 0.646 3647 V HN 0.384 nan 8.190 nan 0.000 0.447 3648 T N 0.235 114.790 114.554 0.001 0.000 2.708 3648 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 3648 T C 1.834 176.534 174.700 0.001 0.000 1.037 3648 T CA 1.882 63.983 62.100 0.001 0.000 1.146 3648 T CB -0.313 68.555 68.868 0.001 0.000 0.865 3648 T HN 0.338 nan 8.240 nan 0.000 0.435 3649 I N 0.463 121.033 120.570 0.000 0.000 2.163 3649 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 3649 I C 2.069 178.186 176.117 0.000 0.000 1.085 3649 I CA 1.082 62.382 61.300 -0.000 0.000 1.347 3649 I CB -0.281 37.718 38.000 -0.001 0.000 1.044 3649 I HN 0.168 nan 8.210 nan 0.000 0.408 3650 L N 0.020 121.244 121.223 0.001 0.000 2.179 3650 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 3650 L C 2.476 179.348 176.870 0.004 0.000 1.096 3650 L CA 1.413 56.254 54.840 0.002 0.000 0.779 3650 L CB -0.924 41.136 42.059 0.001 0.000 0.922 3650 L HN 0.146 nan 8.230 nan 0.000 0.443 3651 R N -0.001 120.501 120.500 0.003 0.000 2.075 3651 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 3651 R C 1.909 178.212 176.300 0.004 0.000 1.126 3651 R CA 1.263 57.365 56.100 0.004 0.000 0.963 3651 R CB 0.036 30.338 30.300 0.003 0.000 0.858 3651 R HN 0.326 nan 8.270 nan 0.000 0.435 3652 E N 0.580 120.782 120.200 0.003 0.000 2.072 3652 E HA -0.109 4.241 4.350 -0.000 0.000 0.190 3652 E C 1.171 177.773 176.600 0.003 0.000 0.982 3652 E CA 0.291 56.693 56.400 0.003 0.000 0.803 3652 E CB -0.281 29.420 29.700 0.002 0.000 0.755 3652 E HN 0.301 nan 8.360 nan 0.000 0.453 3653 M N 0.862 120.464 119.600 0.003 0.000 2.252 3653 M HA -0.053 4.427 4.480 -0.000 0.000 0.321 3653 M C 0.144 176.448 176.300 0.007 0.000 1.070 3653 M CA 0.487 55.790 55.300 0.004 0.000 1.143 3653 M CB 0.578 33.181 32.600 0.004 0.000 1.498 3653 M HN -0.188 nan 8.290 nan 0.000 0.445 3654 S N 4.010 119.715 115.700 0.008 0.000 2.512 3654 S HA 0.423 4.893 4.470 -0.000 0.000 0.291 3654 S C -0.803 173.806 174.600 0.014 0.000 1.151 3654 S CA -0.852 57.353 58.200 0.010 0.000 1.120 3654 S CB 0.002 63.207 63.200 0.008 0.000 1.029 3654 S HN 0.531 nan 8.310 nan 0.000 0.485 3655 V N 4.970 124.895 119.914 0.017 0.000 2.732 3655 V HA 0.328 4.447 4.120 -0.000 0.000 0.297 3655 V C 1.013 177.127 176.094 0.032 0.000 1.060 3655 V CA -0.118 62.199 62.300 0.027 0.000 1.038 3655 V CB 1.488 33.330 31.823 0.030 0.000 1.003 3655 V HN 0.800 nan 8.190 nan 0.000 0.481 3656 E N 0.658 120.886 120.200 0.047 0.000 2.288 3656 E HA 0.073 4.423 4.350 -0.000 0.000 0.200 3656 E C 0.678 177.308 176.600 0.050 0.000 0.880 3656 E CA -0.038 56.387 56.400 0.041 0.000 0.971 3656 E CB 0.011 29.734 29.700 0.038 0.000 0.954 3656 E HN 0.693 nan 8.360 nan 0.000 0.489 3657 H N 2.800 121.867 119.070 -0.005 0.000 2.886 3657 H HA 0.018 4.574 4.556 0.000 0.000 0.329 3657 H C -1.721 173.601 175.328 -0.010 0.000 1.044 3657 H CA -1.191 54.851 56.048 -0.011 0.000 1.456 3657 H CB 1.503 31.250 29.762 -0.026 0.000 1.464 3657 H HN -0.172 nan 8.280 nan 0.000 0.573 3658 P HA -0.126 nan 4.420 nan 0.000 0.215 3658 P C 1.125 178.488 177.300 0.105 0.000 1.153 3658 P CA 1.983 65.073 63.100 -0.016 0.000 0.853 3658 P CB 0.099 31.745 31.700 -0.089 0.000 0.788 3659 A N -0.118 122.874 122.820 0.287 0.000 1.933 3659 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 3659 A C 2.298 179.949 177.584 0.111 0.000 1.175 3659 A CA 2.033 54.191 52.037 0.201 0.000 0.628 3659 A CB -1.538 17.576 19.000 0.191 0.000 0.814 3659 A HN 0.201 nan 8.150 nan 0.000 0.444 3660 A N -0.186 122.717 122.820 0.139 0.000 1.929 3660 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 3660 A C 2.068 179.679 177.584 0.046 0.000 1.176 3660 A CA 1.588 53.654 52.037 0.048 0.000 0.628 3660 A CB -0.373 18.650 19.000 0.038 0.000 0.816 3660 A HN 0.521 nan 8.150 nan 0.000 0.444 3661 K N -1.004 119.433 120.400 0.061 0.000 2.147 3661 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 3661 K C 2.032 178.650 176.600 0.030 0.000 1.049 3661 K CA 1.575 57.885 56.287 0.038 0.000 0.936 3661 K CB -0.236 32.284 32.500 0.033 0.000 0.722 3661 K HN 0.600 nan 8.250 nan 0.000 0.446 3662 M N 0.706 120.327 119.600 0.036 0.000 2.254 3662 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 3662 M C 1.915 178.227 176.300 0.020 0.000 1.066 3662 M CA 0.989 56.305 55.300 0.027 0.000 1.123 3662 M CB 0.119 32.737 32.600 0.031 0.000 1.388 3662 M HN 0.112 nan 8.290 nan 0.000 0.425 3663 L N 0.780 122.014 121.223 0.018 0.000 2.156 3663 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 3663 L C 1.921 178.797 176.870 0.009 0.000 1.095 3663 L CA 1.370 56.216 54.840 0.010 0.000 0.770 3663 L CB -0.603 41.458 42.059 0.002 0.000 0.914 3663 L HN 0.275 nan 8.230 nan 0.000 0.439 3664 I N -0.076 120.501 120.570 0.011 0.000 2.315 3664 I HA -0.246 3.924 4.170 -0.000 0.000 0.251 3664 I C 2.358 178.480 176.117 0.009 0.000 1.125 3664 I CA 1.108 62.414 61.300 0.010 0.000 1.392 3664 I CB -1.286 36.721 38.000 0.012 0.000 1.065 3664 I HN 0.387 nan 8.210 nan 0.000 0.424 3665 E N 0.650 120.856 120.200 0.011 0.000 2.150 3665 E HA -0.114 4.235 4.350 -0.000 0.000 0.193 3665 E C 2.486 179.092 176.600 0.010 0.000 0.985 3665 E CA 0.793 57.200 56.400 0.011 0.000 0.814 3665 E CB -0.226 29.481 29.700 0.012 0.000 0.752 3665 E HN 0.342 nan 8.360 nan 0.000 0.466 3666 V N 1.754 121.674 119.914 0.010 0.000 2.287 3666 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 3666 V C 2.505 178.604 176.094 0.008 0.000 1.053 3666 V CA 1.947 64.253 62.300 0.010 0.000 1.027 3666 V CB -0.939 30.890 31.823 0.010 0.000 0.646 3666 V HN 0.251 nan 8.190 nan 0.000 0.447 3667 A N -0.353 122.471 122.820 0.006 0.000 1.902 3667 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 3667 A C 2.304 179.891 177.584 0.005 0.000 1.181 3667 A CA 2.030 54.070 52.037 0.005 0.000 0.623 3667 A CB -0.443 18.559 19.000 0.003 0.000 0.818 3667 A HN 0.557 nan 8.150 nan 0.000 0.443 3668 K N -1.019 119.384 120.400 0.006 0.000 2.097 3668 K HA -0.078 4.242 4.320 -0.000 0.000 0.205 3668 K C 2.024 178.628 176.600 0.007 0.000 1.050 3668 K CA 1.672 57.963 56.287 0.006 0.000 0.938 3668 K CB -0.335 32.169 32.500 0.006 0.000 0.718 3668 K HN 0.462 nan 8.250 nan 0.000 0.442 3669 T N 0.975 115.533 114.554 0.008 0.000 2.904 3669 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 3669 T C 1.802 176.507 174.700 0.008 0.000 1.059 3669 T CA 1.129 63.234 62.100 0.009 0.000 1.137 3669 T CB -0.080 68.794 68.868 0.010 0.000 0.879 3669 T HN 0.153 nan 8.240 nan 0.000 0.467 3670 Q N 1.182 120.987 119.800 0.008 0.000 2.084 3670 Q HA -0.096 4.244 4.340 -0.000 0.000 0.202 3670 Q C 2.291 178.294 176.000 0.006 0.000 0.978 3670 Q CA 1.425 57.232 55.803 0.007 0.000 0.844 3670 Q CB -0.227 28.515 28.738 0.006 0.000 0.898 3670 Q HN 0.362 nan 8.270 nan 0.000 0.426 3671 E N 0.180 120.383 120.200 0.005 0.000 2.047 3671 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 3671 E C 1.715 178.318 176.600 0.005 0.000 0.987 3671 E CA 1.134 57.536 56.400 0.004 0.000 0.799 3671 E CB 0.079 29.781 29.700 0.004 0.000 0.752 3671 E HN 0.368 nan 8.360 nan 0.000 0.449 3672 K N 0.209 120.612 120.400 0.005 0.000 2.057 3672 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 3672 K C 2.110 178.714 176.600 0.006 0.000 1.049 3672 K CA 1.090 57.380 56.287 0.005 0.000 0.931 3672 K CB 0.052 32.555 32.500 0.006 0.000 0.714 3672 K HN 0.028 nan 8.250 nan 0.000 0.440 3673 E N 0.088 120.292 120.200 0.007 0.000 2.051 3673 E HA -0.074 4.276 4.350 -0.000 0.000 0.189 3673 E C 2.041 178.645 176.600 0.007 0.000 0.979 3673 E CA 1.148 57.552 56.400 0.007 0.000 0.803 3673 E CB 0.204 29.910 29.700 0.009 0.000 0.761 3673 E HN 0.073 nan 8.360 nan 0.000 0.451 3674 V N -1.506 118.412 119.914 0.007 0.000 3.484 3674 V HA 0.290 4.410 4.120 -0.000 0.000 0.252 3674 V C 1.474 177.571 176.094 0.005 0.000 1.282 3674 V CA 0.734 63.037 62.300 0.006 0.000 1.104 3674 V CB 0.718 32.545 31.823 0.007 0.000 0.868 3674 V HN 0.411 nan 8.190 nan 0.000 0.457 3675 G N 0.718 109.521 108.800 0.004 0.000 5.064 3675 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.277 3675 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.277 3675 G C 0.041 174.943 174.900 0.003 0.000 1.580 3675 G CA 0.339 45.441 45.100 0.003 0.000 1.109 3675 G HN 0.463 nan 8.290 nan 0.000 0.695 3676 D N 1.635 122.037 120.400 0.002 0.000 2.383 3676 D HA 0.509 5.149 4.640 -0.000 0.000 0.248 3676 D C 1.418 177.718 176.300 0.000 0.000 1.170 3676 D CA 1.461 55.461 54.000 0.001 0.000 0.977 3676 D CB 0.590 41.390 40.800 0.001 0.000 1.120 3676 D HN 1.827 nan 8.370 nan 0.000 0.481 3677 G N 0.086 108.885 108.800 -0.002 0.000 2.141 3677 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.231 3677 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.231 3677 G C 1.074 175.972 174.900 -0.004 0.000 0.984 3677 G CA 1.265 46.363 45.100 -0.004 0.000 0.660 3677 G HN 0.653 nan 8.290 nan 0.000 0.525 3678 T N -2.356 112.197 114.554 -0.002 0.000 2.674 3678 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 3678 T C 2.232 176.930 174.700 -0.005 0.000 1.039 3678 T CA 2.662 64.761 62.100 -0.002 0.000 1.150 3678 T CB -0.738 68.130 68.868 -0.001 0.000 0.864 3678 T HN 0.334 nan 8.240 nan 0.000 0.427 3679 T N 1.766 116.316 114.554 -0.007 0.000 2.777 3679 T HA -0.057 4.293 4.350 -0.000 0.000 0.266 3679 T C 2.311 177.003 174.700 -0.014 0.000 1.040 3679 T CA 1.735 63.829 62.100 -0.010 0.000 1.141 3679 T CB -0.962 67.901 68.868 -0.010 0.000 0.868 3679 T HN 0.526 nan 8.240 nan 0.000 0.444 3680 T N 2.291 116.836 114.554 -0.015 0.000 2.652 3680 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 3680 T C 2.418 177.105 174.700 -0.022 0.000 1.039 3680 T CA 1.325 63.412 62.100 -0.022 0.000 1.153 3680 T CB -0.632 68.223 68.868 -0.021 0.000 0.863 3680 T HN 0.435 nan 8.240 nan 0.000 0.428 3681 A N 0.775 123.587 122.820 -0.014 0.000 1.933 3681 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 3681 A C 2.605 180.184 177.584 -0.008 0.000 1.175 3681 A CA 1.320 53.352 52.037 -0.009 0.000 0.628 3681 A CB -0.957 18.043 19.000 -0.000 0.000 0.814 3681 A HN 0.360 nan 8.150 nan 0.000 0.444 3682 V N -0.569 119.340 119.914 -0.009 0.000 2.307 3682 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 3682 V C 2.578 178.663 176.094 -0.015 0.000 1.045 3682 V CA 1.925 64.219 62.300 -0.009 0.000 1.024 3682 V CB -0.629 31.189 31.823 -0.009 0.000 0.651 3682 V HN 0.369 nan 8.190 nan 0.000 0.449 3683 V N -0.691 119.211 119.914 -0.020 0.000 2.307 3683 V HA -0.195 3.925 4.120 -0.000 0.000 0.245 3683 V C 2.423 178.496 176.094 -0.034 0.000 1.045 3683 V CA 1.997 64.282 62.300 -0.026 0.000 1.024 3683 V CB -0.271 31.534 31.823 -0.029 0.000 0.651 3683 V HN 0.412 nan 8.190 nan 0.000 0.449 3684 V N 0.112 120.002 119.914 -0.041 0.000 2.358 3684 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 3684 V C 2.595 178.662 176.094 -0.044 0.000 1.047 3684 V CA 2.098 64.362 62.300 -0.060 0.000 1.035 3684 V CB -0.371 31.409 31.823 -0.072 0.000 0.658 3684 V HN 0.520 nan 8.190 nan 0.000 0.452 3685 A N -0.191 122.617 122.820 -0.020 0.000 1.933 3685 A HA -0.041 4.279 4.320 -0.000 0.000 0.218 3685 A C 2.306 179.896 177.584 0.009 0.000 1.175 3685 A CA 1.882 53.922 52.037 0.004 0.000 0.628 3685 A CB -1.219 17.788 19.000 0.011 0.000 0.814 3685 A HN 0.617 nan 8.150 nan 0.000 0.444 3686 G N -0.647 108.150 108.800 -0.005 0.000 2.414 3686 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.215 3686 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.215 3686 G C 1.429 176.328 174.900 -0.003 0.000 1.188 3686 G CA 0.853 45.950 45.100 -0.005 0.000 0.783 3686 G HN 0.451 nan 8.290 nan 0.000 0.537 3687 E N 0.393 120.584 120.200 -0.015 0.000 2.106 3687 E HA -0.011 4.339 4.350 -0.000 0.000 0.192 3687 E C 2.694 179.294 176.600 0.000 0.000 0.984 3687 E CA 0.382 56.771 56.400 -0.018 0.000 0.806 3687 E CB -0.249 29.425 29.700 -0.043 0.000 0.750 3687 E HN 0.415 nan 8.360 nan 0.000 0.458 3688 L N 0.134 121.357 121.223 0.001 0.000 2.056 3688 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 3688 L C 2.395 179.355 176.870 0.150 0.000 1.078 3688 L CA 0.531 55.405 54.840 0.057 0.000 0.749 3688 L CB -0.284 41.791 42.059 0.027 0.000 0.901 3688 L HN 0.132 nan 8.230 nan 0.000 0.433 3689 L N -0.373 120.905 121.223 0.090 0.000 2.093 3689 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 3689 L C 2.674 179.575 176.870 0.052 0.000 1.085 3689 L CA 1.537 56.420 54.840 0.073 0.000 0.755 3689 L CB -0.779 41.306 42.059 0.043 0.000 0.904 3689 L HN 0.163 nan 8.230 nan 0.000 0.435 3690 R N -0.360 120.162 120.500 0.037 0.000 2.066 3690 R HA -0.218 4.122 4.340 -0.000 0.000 0.232 3690 R C 2.281 178.602 176.300 0.035 0.000 1.131 3690 R CA 1.567 57.681 56.100 0.023 0.000 0.955 3690 R CB -0.059 30.246 30.300 0.009 0.000 0.851 3690 R HN 0.056 nan 8.270 nan 0.000 0.432 3691 K N 0.367 120.800 120.400 0.055 0.000 2.148 3691 K HA -0.010 4.310 4.320 -0.000 0.000 0.204 3691 K C 1.667 178.324 176.600 0.094 0.000 1.050 3691 K CA 1.505 57.837 56.287 0.075 0.000 0.942 3691 K CB -0.204 32.351 32.500 0.092 0.000 0.724 3691 K HN 0.298 nan 8.250 nan 0.000 0.446 3692 A N 0.704 123.588 122.820 0.108 0.000 1.930 3692 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 3692 A C 2.113 179.704 177.584 0.012 0.000 1.175 3692 A CA 1.518 53.585 52.037 0.051 0.000 0.627 3692 A CB -0.525 18.503 19.000 0.048 0.000 0.815 3692 A HN 0.419 nan 8.150 nan 0.000 0.443 3693 E N 0.140 120.351 120.200 0.019 0.000 2.204 3693 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 3693 E C 1.848 178.451 176.600 0.004 0.000 0.989 3693 E CA 1.216 57.618 56.400 0.005 0.000 0.824 3693 E CB -0.157 29.546 29.700 0.005 0.000 0.756 3693 E HN 0.789 nan 8.360 nan 0.000 0.477 3694 E N 0.132 120.341 120.200 0.014 0.000 2.204 3694 E HA -0.148 4.202 4.350 -0.000 0.000 0.195 3694 E C 2.229 178.835 176.600 0.010 0.000 0.990 3694 E CA 0.603 57.011 56.400 0.013 0.000 0.821 3694 E CB 0.038 29.750 29.700 0.021 0.000 0.750 3694 E HN 0.279 nan 8.360 nan 0.000 0.477 3695 L N 0.251 121.479 121.223 0.008 0.000 2.131 3695 L HA -0.108 4.232 4.340 -0.000 0.000 0.206 3695 L C 2.459 179.323 176.870 -0.010 0.000 1.087 3695 L CA 0.470 55.310 54.840 0.000 0.000 0.767 3695 L CB -0.291 41.761 42.059 -0.010 0.000 0.917 3695 L HN 0.209 nan 8.230 nan 0.000 0.441 3696 L N -0.096 121.117 121.223 -0.017 0.000 2.046 3696 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 3696 L C 2.173 179.030 176.870 -0.022 0.000 1.077 3696 L CA 1.457 56.281 54.840 -0.028 0.000 0.747 3696 L CB -0.511 41.529 42.059 -0.031 0.000 0.896 3696 L HN 0.283 nan 8.230 nan 0.000 0.432 3697 D N -0.802 119.591 120.400 -0.012 0.000 2.219 3697 D HA -0.183 4.457 4.640 -0.000 0.000 0.205 3697 D C 2.129 178.425 176.300 -0.005 0.000 0.970 3697 D CA 0.796 54.791 54.000 -0.008 0.000 0.851 3697 D CB 0.192 40.990 40.800 -0.003 0.000 0.943 3697 D HN 0.142 nan 8.370 nan 0.000 0.488 3698 Q N 0.166 119.964 119.800 -0.003 0.000 2.482 3698 Q HA 0.037 4.377 4.340 -0.000 0.000 0.209 3698 Q C 0.007 176.007 176.000 -0.001 0.000 0.961 3698 Q CA 0.296 56.099 55.803 0.000 0.000 0.945 3698 Q CB -0.033 28.708 28.738 0.005 0.000 1.012 3698 Q HN 0.366 nan 8.270 nan 0.000 0.515 3699 N N -0.386 118.309 118.700 -0.008 0.000 2.814 3699 N HA -0.124 4.616 4.740 -0.000 0.000 0.247 3699 N C -1.191 174.319 175.510 -0.000 0.000 1.089 3699 N CA 0.381 53.424 53.050 -0.011 0.000 0.682 3699 N CB -1.697 36.787 38.487 -0.006 0.000 0.970 3699 N HN -0.026 nan 8.380 nan 0.000 0.554 3700 V N 1.724 121.637 119.914 -0.001 0.000 2.328 3700 V HA 0.122 4.242 4.120 -0.000 0.000 0.278 3700 V C 0.914 177.026 176.094 0.029 0.000 1.021 3700 V CA -0.767 61.544 62.300 0.018 0.000 0.838 3700 V CB 1.321 33.149 31.823 0.008 0.000 0.999 3700 V HN 0.331 nan 8.190 nan 0.000 0.447 3701 H N 9.456 128.511 119.070 -0.025 0.000 3.167 3701 H HA 0.001 4.557 4.556 0.000 0.000 0.306 3701 H C -1.410 173.893 175.328 -0.041 0.000 0.965 3701 H CA -1.104 54.928 56.048 -0.027 0.000 1.408 3701 H CB 1.483 31.232 29.762 -0.022 0.000 1.406 3701 H HN 0.373 nan 8.280 nan 0.000 0.576 3702 P HA -0.157 nan 4.420 nan 0.000 0.219 3702 P C 1.511 178.901 177.300 0.149 0.000 1.146 3702 P CA 1.335 64.486 63.100 0.085 0.000 0.808 3702 P CB 0.097 31.802 31.700 0.008 0.000 0.779 3703 T N -0.797 113.963 114.554 0.343 0.000 2.881 3703 T HA -0.079 4.271 4.350 -0.000 0.000 0.270 3703 T C 1.774 176.457 174.700 -0.028 0.000 1.068 3703 T CA 0.839 62.964 62.100 0.041 0.000 1.131 3703 T CB -0.646 68.092 68.868 -0.217 0.000 0.871 3703 T HN -0.007 nan 8.240 nan 0.000 0.479 3704 I N 0.171 120.739 120.570 -0.003 0.000 2.233 3704 I HA -0.091 4.079 4.170 -0.000 0.000 0.243 3704 I C 2.453 178.525 176.117 -0.076 0.000 1.093 3704 I CA 0.718 61.997 61.300 -0.034 0.000 1.380 3704 I CB -0.353 37.643 38.000 -0.007 0.000 1.067 3704 I HN 0.087 nan 8.210 nan 0.000 0.413 3705 V N 0.393 120.241 119.914 -0.109 0.000 2.287 3705 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 3705 V C 2.411 178.259 176.094 -0.410 0.000 1.053 3705 V CA 1.879 64.007 62.300 -0.286 0.000 1.027 3705 V CB -0.530 31.122 31.823 -0.285 0.000 0.646 3705 V HN 0.359 nan 8.190 nan 0.000 0.447 3706 V N -0.305 119.486 119.914 -0.206 0.000 2.427 3706 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 3706 V C 2.580 178.654 176.094 -0.032 0.000 1.051 3706 V CA 2.296 64.538 62.300 -0.098 0.000 1.048 3706 V CB -0.404 31.406 31.823 -0.022 0.000 0.666 3706 V HN 0.507 nan 8.190 nan 0.000 0.456 3707 K N 0.144 120.516 120.400 -0.047 0.000 2.025 3707 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 3707 K C 2.116 178.706 176.600 -0.017 0.000 1.049 3707 K CA 1.691 57.961 56.287 -0.027 0.000 0.933 3707 K CB -0.944 31.533 32.500 -0.038 0.000 0.714 3707 K HN 0.555 nan 8.250 nan 0.000 0.438 3708 G N 0.277 109.062 108.800 -0.025 0.000 2.440 3708 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 3708 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 3708 G C 1.403 176.365 174.900 0.102 0.000 1.154 3708 G CA 0.699 45.813 45.100 0.025 0.000 0.767 3708 G HN 0.253 nan 8.290 nan 0.000 0.552 3709 Y N 0.888 121.161 120.300 -0.046 0.000 2.200 3709 Y HA -0.052 4.498 4.550 -0.000 0.000 0.290 3709 Y C 3.113 178.865 175.900 -0.247 0.000 1.137 3709 Y CA 0.731 58.783 58.100 -0.080 0.000 1.163 3709 Y CB -0.782 37.779 38.460 0.168 0.000 0.988 3709 Y HN 0.199 nan 8.280 nan 0.000 0.518 3710 Q N -0.305 119.530 119.800 0.058 0.000 2.030 3710 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 3710 Q C 2.596 178.532 176.000 -0.108 0.000 0.986 3710 Q CA 1.638 57.432 55.803 -0.014 0.000 0.843 3710 Q CB -0.716 28.026 28.738 0.006 0.000 0.904 3710 Q HN 0.451 nan 8.270 nan 0.000 0.420 3711 A N 1.037 123.797 122.820 -0.100 0.000 1.883 3711 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 3711 A C 2.323 179.801 177.584 -0.176 0.000 1.186 3711 A CA 2.163 54.135 52.037 -0.108 0.000 0.624 3711 A CB -0.753 18.206 19.000 -0.068 0.000 0.822 3711 A HN 0.400 nan 8.150 nan 0.000 0.444 3712 A N -0.341 122.292 122.820 -0.312 0.000 1.930 3712 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 3712 A C 2.490 179.708 177.584 -0.610 0.000 1.175 3712 A CA 1.976 53.730 52.037 -0.471 0.000 0.627 3712 A CB -0.953 17.626 19.000 -0.701 0.000 0.815 3712 A HN 1.038 nan 8.150 nan 0.000 0.443 3713 A N -1.085 121.272 122.820 -0.771 0.000 1.877 3713 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 3713 A C 2.211 179.735 177.584 -0.101 0.000 1.186 3713 A CA 1.790 53.634 52.037 -0.322 0.000 0.620 3713 A CB -0.533 18.387 19.000 -0.132 0.000 0.822 3713 A HN 0.506 nan 8.150 nan 0.000 0.443 3714 Q N -0.126 119.612 119.800 -0.104 0.000 2.124 3714 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 3714 Q C 2.005 177.984 176.000 -0.035 0.000 0.977 3714 Q CA 2.108 57.882 55.803 -0.049 0.000 0.850 3714 Q CB -0.172 28.537 28.738 -0.049 0.000 0.901 3714 Q HN 0.539 nan 8.270 nan 0.000 0.429 3715 K N 0.377 120.747 120.400 -0.050 0.000 2.211 3715 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 3715 K C 1.749 178.375 176.600 0.043 0.000 1.050 3715 K CA 1.230 57.514 56.287 -0.005 0.000 0.945 3715 K CB -0.492 32.015 32.500 0.012 0.000 0.732 3715 K HN 0.191 nan 8.250 nan 0.000 0.451 3716 A N 0.584 123.425 122.820 0.034 0.000 1.933 3716 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 3716 A C 2.075 179.696 177.584 0.063 0.000 1.175 3716 A CA 1.626 53.712 52.037 0.081 0.000 0.628 3716 A CB -0.493 18.593 19.000 0.143 0.000 0.814 3716 A HN 0.510 nan 8.150 nan 0.000 0.444 3717 Q N -0.630 119.195 119.800 0.042 0.000 2.119 3717 Q HA -0.183 4.157 4.340 -0.000 0.000 0.201 3717 Q C 1.985 178.002 176.000 0.028 0.000 0.972 3717 Q CA 1.554 57.376 55.803 0.032 0.000 0.847 3717 Q CB -0.151 28.600 28.738 0.022 0.000 0.903 3717 Q HN 0.777 nan 8.270 nan 0.000 0.433 3718 E N 0.584 120.800 120.200 0.026 0.000 2.051 3718 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 3718 E C 2.048 178.672 176.600 0.040 0.000 0.991 3718 E CA 0.863 57.279 56.400 0.025 0.000 0.799 3718 E CB -0.075 29.634 29.700 0.015 0.000 0.748 3718 E HN 0.297 nan 8.360 nan 0.000 0.449 3719 L N 0.460 121.720 121.223 0.060 0.000 2.083 3719 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 3719 L C 2.369 179.269 176.870 0.050 0.000 1.083 3719 L CA 0.437 55.320 54.840 0.071 0.000 0.752 3719 L CB -0.281 41.833 42.059 0.091 0.000 0.899 3719 L HN 0.169 nan 8.230 nan 0.000 0.433 3720 L N -0.093 121.155 121.223 0.042 0.000 2.046 3720 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 3720 L C 2.491 179.376 176.870 0.026 0.000 1.077 3720 L CA 1.750 56.608 54.840 0.031 0.000 0.747 3720 L CB -0.668 41.408 42.059 0.028 0.000 0.896 3720 L HN 0.145 nan 8.230 nan 0.000 0.432 3721 K N -1.580 118.835 120.400 0.025 0.000 2.148 3721 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 3721 K C 1.889 178.502 176.600 0.022 0.000 1.050 3721 K CA 1.565 57.864 56.287 0.020 0.000 0.942 3721 K CB -0.194 32.316 32.500 0.017 0.000 0.724 3721 K HN 0.333 nan 8.250 nan 0.000 0.446 3722 T N 1.769 116.340 114.554 0.028 0.000 2.851 3722 T HA -0.036 4.314 4.350 -0.000 0.000 0.262 3722 T C 1.897 176.616 174.700 0.031 0.000 1.043 3722 T CA 1.106 63.224 62.100 0.031 0.000 1.140 3722 T CB -0.091 68.801 68.868 0.041 0.000 0.872 3722 T HN 0.361 nan 8.240 nan 0.000 0.446 3723 I N -0.098 120.493 120.570 0.034 0.000 3.226 3723 I HA 0.416 4.586 4.170 -0.000 0.000 0.277 3723 I C 1.146 177.280 176.117 0.028 0.000 1.243 3723 I CA -0.460 60.861 61.300 0.035 0.000 1.459 3723 I CB -0.525 37.500 38.000 0.042 0.000 1.093 3723 I HN -0.050 nan 8.210 nan 0.000 0.453 3724 A N 1.514 124.348 122.820 0.023 0.000 2.567 3724 A HA 0.075 4.395 4.320 -0.000 0.000 0.240 3724 A C 0.202 177.796 177.584 0.016 0.000 1.053 3724 A CA -0.010 52.038 52.037 0.018 0.000 0.755 3724 A CB -0.246 18.763 19.000 0.015 0.000 0.978 3724 A HN 0.640 nan 8.150 nan 0.000 0.507 3725 C N 4.083 123.392 119.300 0.015 0.000 2.281 3725 C HA 0.499 4.959 4.460 -0.000 0.000 0.336 3725 C C 0.282 175.278 174.990 0.010 0.000 1.217 3725 C CA -0.738 58.288 59.018 0.013 0.000 1.730 3725 C CB -1.484 26.264 27.740 0.013 0.000 2.338 3725 C HN 0.886 nan 8.230 nan 0.000 0.521 3726 E N 3.296 123.501 120.200 0.009 0.000 2.360 3726 E HA 0.451 4.801 4.350 -0.000 0.000 0.269 3726 E C 0.111 176.715 176.600 0.007 0.000 1.022 3726 E CA 0.113 56.517 56.400 0.008 0.000 0.887 3726 E CB 0.913 30.617 29.700 0.007 0.000 0.990 3726 E HN 0.677 nan 8.360 nan 0.000 0.426 3727 V N -0.930 118.988 119.914 0.006 0.000 3.130 3727 V HA 0.802 4.922 4.120 -0.000 0.000 0.310 3727 V C 0.381 176.478 176.094 0.005 0.000 1.158 3727 V CA -1.243 61.060 62.300 0.006 0.000 1.029 3727 V CB 1.804 33.630 31.823 0.006 0.000 1.057 3727 V HN 0.653 nan 8.190 nan 0.000 0.436 3728 G N 0.524 109.327 108.800 0.005 0.000 2.335 3728 G HA2 0.476 4.436 3.960 -0.000 0.000 0.268 3728 G HA3 0.476 4.436 3.960 -0.000 0.000 0.268 3728 G C 1.012 175.915 174.900 0.005 0.000 1.228 3728 G CA 0.235 45.337 45.100 0.004 0.000 0.968 3728 G HN 1.663 nan 8.290 nan 0.000 0.459 3729 A N 2.760 125.582 122.820 0.004 0.000 1.917 3729 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 3729 A C 1.949 179.536 177.584 0.005 0.000 1.182 3729 A CA 1.516 53.556 52.037 0.004 0.000 0.633 3729 A CB -0.124 18.878 19.000 0.004 0.000 0.819 3729 A HN 0.658 nan 8.150 nan 0.000 0.448 3730 Q N -0.309 119.494 119.800 0.005 0.000 2.201 3730 Q HA 0.088 4.428 4.340 -0.000 0.000 0.236 3730 Q C -0.712 175.292 176.000 0.006 0.000 0.857 3730 Q CA -0.407 55.399 55.803 0.005 0.000 1.025 3730 Q CB 0.361 29.102 28.738 0.005 0.000 1.124 3730 Q HN 0.559 nan 8.270 nan 0.000 0.473 3731 D N 1.340 121.743 120.400 0.006 0.000 2.382 3731 D HA -0.049 4.591 4.640 -0.000 0.000 0.259 3731 D C 0.906 177.211 176.300 0.007 0.000 1.224 3731 D CA 0.277 54.280 54.000 0.006 0.000 0.894 3731 D CB 1.170 41.973 40.800 0.006 0.000 1.127 3731 D HN -0.073 nan 8.370 nan 0.000 0.487 3732 K N 3.978 124.383 120.400 0.008 0.000 2.000 3732 K HA -0.272 4.048 4.320 -0.000 0.000 0.218 3732 K C 1.622 178.227 176.600 0.009 0.000 1.053 3732 K CA 2.119 58.411 56.287 0.008 0.000 0.946 3732 K CB -0.314 32.191 32.500 0.008 0.000 0.723 3732 K HN 0.422 nan 8.250 nan 0.000 0.446 3733 E N 0.304 120.509 120.200 0.008 0.000 2.049 3733 E HA -0.157 4.193 4.350 -0.000 0.000 0.198 3733 E C 1.979 178.584 176.600 0.009 0.000 1.007 3733 E CA 2.101 58.506 56.400 0.008 0.000 0.809 3733 E CB -0.377 29.327 29.700 0.007 0.000 0.749 3733 E HN 0.470 nan 8.360 nan 0.000 0.450 3734 I N -0.046 120.529 120.570 0.008 0.000 2.361 3734 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 3734 I C 1.868 177.990 176.117 0.010 0.000 1.133 3734 I CA 0.310 61.615 61.300 0.009 0.000 1.413 3734 I CB -0.165 37.840 38.000 0.008 0.000 1.073 3734 I HN 0.189 nan 8.210 nan 0.000 0.424 3735 L N 0.236 121.465 121.223 0.009 0.000 2.046 3735 L HA -0.177 4.162 4.340 -0.000 0.000 0.208 3735 L C 2.578 179.455 176.870 0.011 0.000 1.077 3735 L CA 1.970 56.816 54.840 0.010 0.000 0.747 3735 L CB -1.271 40.793 42.059 0.010 0.000 0.896 3735 L HN 0.184 nan 8.230 nan 0.000 0.432 3736 T N -1.351 113.209 114.554 0.011 0.000 2.833 3736 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 3736 T C 1.992 176.700 174.700 0.014 0.000 1.054 3736 T CA 1.123 63.230 62.100 0.012 0.000 1.135 3736 T CB -0.026 68.848 68.868 0.011 0.000 0.869 3736 T HN 0.061 nan 8.240 nan 0.000 0.466 3737 K N 0.900 121.308 120.400 0.014 0.000 2.057 3737 K HA 0.173 4.493 4.320 -0.000 0.000 0.206 3737 K C 1.997 178.608 176.600 0.018 0.000 1.050 3737 K CA 0.788 57.085 56.287 0.016 0.000 0.935 3737 K CB -0.463 32.045 32.500 0.014 0.000 0.715 3737 K HN 0.339 nan 8.250 nan 0.000 0.439 3738 I N 0.191 120.770 120.570 0.015 0.000 2.142 3738 I HA -0.325 3.845 4.170 -0.000 0.000 0.240 3738 I C 2.224 178.352 176.117 0.019 0.000 1.078 3738 I CA 1.348 62.658 61.300 0.016 0.000 1.343 3738 I CB -0.439 37.568 38.000 0.013 0.000 1.046 3738 I HN 0.146 nan 8.210 nan 0.000 0.405 3739 A N 0.573 123.403 122.820 0.017 0.000 1.841 3739 A HA -0.301 4.019 4.320 -0.000 0.000 0.216 3739 A C 2.431 180.027 177.584 0.020 0.000 1.199 3739 A CA 2.193 54.240 52.037 0.017 0.000 0.621 3739 A CB -0.849 18.160 19.000 0.014 0.000 0.835 3739 A HN 0.433 nan 8.150 nan 0.000 0.445 3740 M N -0.649 118.962 119.600 0.020 0.000 2.149 3740 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 3740 M C 2.057 178.376 176.300 0.031 0.000 1.064 3740 M CA 2.145 57.458 55.300 0.021 0.000 1.102 3740 M CB -0.353 32.258 32.600 0.019 0.000 1.369 3740 M HN 0.496 nan 8.290 nan 0.000 0.408 3741 T N 0.034 114.610 114.554 0.037 0.000 2.788 3741 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 3741 T C 1.820 176.562 174.700 0.069 0.000 1.044 3741 T CA 1.748 63.880 62.100 0.054 0.000 1.139 3741 T CB -0.190 68.704 68.868 0.043 0.000 0.867 3741 T HN 0.447 nan 8.240 nan 0.000 0.454 3742 S N 1.149 116.879 115.700 0.050 0.000 2.345 3742 S HA 0.022 4.492 4.470 -0.000 0.000 0.220 3742 S C 2.061 176.689 174.600 0.047 0.000 1.031 3742 S CA 0.921 59.151 58.200 0.051 0.000 0.996 3742 S CB -0.397 62.823 63.200 0.034 0.000 0.882 3742 S HN 0.421 nan 8.310 nan 0.000 0.445 3743 I N 1.796 122.385 120.570 0.030 0.000 2.286 3743 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 3743 I C 1.141 177.261 176.117 0.005 0.000 1.115 3743 I CA 0.650 61.958 61.300 0.014 0.000 1.392 3743 I CB -1.018 36.987 38.000 0.009 0.000 1.065 3743 I HN 0.330 nan 8.210 nan 0.000 0.418 3744 T N 0.093 114.658 114.554 0.019 0.000 2.934 3744 T HA 0.305 4.655 4.350 -0.000 0.000 0.306 3744 T C 1.091 175.766 174.700 -0.042 0.000 1.042 3744 T CA 0.138 62.239 62.100 0.001 0.000 1.145 3744 T CB 1.107 69.998 68.868 0.037 0.000 0.982 3744 T HN 0.645 nan 8.240 nan 0.000 0.544 3745 G N 1.943 110.662 108.800 -0.134 0.000 2.157 3745 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.239 3745 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.239 3745 G C -0.066 174.720 174.900 -0.190 0.000 0.982 3745 G CA 0.206 45.133 45.100 -0.288 0.000 0.650 3745 G HN 0.905 nan 8.290 nan 0.000 0.527 3746 K N -0.950 119.385 120.400 -0.108 0.000 2.352 3746 K HA 0.610 4.930 4.320 -0.000 0.000 0.240 3746 K C 1.610 178.166 176.600 -0.074 0.000 1.017 3746 K CA -0.556 55.682 56.287 -0.081 0.000 0.851 3746 K CB 1.269 33.739 32.500 -0.049 0.000 1.261 3746 K HN 0.174 nan 8.250 nan 0.000 0.451 3747 G N 0.514 109.270 108.800 -0.074 0.000 2.442 3747 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 3747 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 3747 G C 1.206 176.077 174.900 -0.049 0.000 1.141 3747 G CA 1.262 46.323 45.100 -0.066 0.000 0.763 3747 G HN 0.613 nan 8.290 nan 0.000 0.554 3748 A N 0.275 123.069 122.820 -0.043 0.000 2.209 3748 A HA 0.122 4.442 4.320 -0.000 0.000 0.212 3748 A C 2.018 179.588 177.584 -0.024 0.000 1.158 3748 A CA 1.456 53.476 52.037 -0.028 0.000 0.742 3748 A CB -0.248 18.739 19.000 -0.021 0.000 0.790 3748 A HN 0.369 nan 8.150 nan 0.000 0.472 3749 E N 0.964 121.145 120.200 -0.031 0.000 2.267 3749 E HA -0.218 4.132 4.350 -0.000 0.000 0.197 3749 E C 1.150 177.738 176.600 -0.020 0.000 0.998 3749 E CA 0.912 57.296 56.400 -0.026 0.000 0.830 3749 E CB -0.114 29.562 29.700 -0.040 0.000 0.751 3749 E HN 0.443 nan 8.360 nan 0.000 0.491 3750 K N -0.164 120.223 120.400 -0.021 0.000 2.160 3750 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 3750 K C 1.257 177.850 176.600 -0.010 0.000 1.047 3750 K CA 1.250 57.528 56.287 -0.016 0.000 0.930 3750 K CB -0.109 32.381 32.500 -0.017 0.000 0.720 3750 K HN 0.112 nan 8.250 nan 0.000 0.450 3751 A N 1.450 124.265 122.820 -0.009 0.000 2.855 3751 A HA 0.107 4.427 4.320 -0.000 0.000 0.301 3751 A C 1.311 178.894 177.584 -0.002 0.000 1.076 3751 A CA -0.447 51.587 52.037 -0.004 0.000 1.004 3751 A CB 0.002 19.001 19.000 -0.002 0.000 1.152 3751 A HN 0.272 nan 8.150 nan 0.000 0.531 3752 K N -0.174 120.225 120.400 -0.002 0.000 2.147 3752 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 3752 K C 0.929 177.532 176.600 0.005 0.000 1.049 3752 K CA 1.813 58.101 56.287 0.002 0.000 0.936 3752 K CB -0.074 32.428 32.500 0.002 0.000 0.722 3752 K HN 0.313 nan 8.250 nan 0.000 0.446 3753 E N 1.624 121.827 120.200 0.004 0.000 2.028 3753 E HA -0.128 4.222 4.350 -0.000 0.000 0.191 3753 E C 1.985 178.589 176.600 0.006 0.000 0.988 3753 E CA 1.377 57.781 56.400 0.006 0.000 0.799 3753 E CB -0.051 29.652 29.700 0.005 0.000 0.755 3753 E HN 0.372 nan 8.360 nan 0.000 0.447 3754 K N 0.218 120.621 120.400 0.005 0.000 2.026 3754 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 3754 K C 1.808 178.413 176.600 0.008 0.000 1.048 3754 K CA 0.896 57.187 56.287 0.007 0.000 0.929 3754 K CB -0.049 32.454 32.500 0.006 0.000 0.713 3754 K HN -0.003 nan 8.250 nan 0.000 0.439 3755 L N 1.064 122.291 121.223 0.008 0.000 2.046 3755 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 3755 L C 2.470 179.346 176.870 0.010 0.000 1.077 3755 L CA 1.983 56.829 54.840 0.009 0.000 0.747 3755 L CB -1.057 41.006 42.059 0.007 0.000 0.896 3755 L HN 0.254 nan 8.230 nan 0.000 0.432 3756 A N -0.997 121.829 122.820 0.010 0.000 1.933 3756 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 3756 A C 2.305 179.896 177.584 0.011 0.000 1.175 3756 A CA 1.714 53.758 52.037 0.011 0.000 0.628 3756 A CB -0.456 18.551 19.000 0.012 0.000 0.814 3756 A HN 0.406 nan 8.150 nan 0.000 0.444 3757 E N 0.736 120.943 120.200 0.011 0.000 2.028 3757 E HA -0.174 4.176 4.350 -0.000 0.000 0.191 3757 E C 1.867 178.474 176.600 0.013 0.000 0.988 3757 E CA 1.726 58.133 56.400 0.011 0.000 0.799 3757 E CB -0.501 29.206 29.700 0.010 0.000 0.755 3757 E HN 0.724 nan 8.360 nan 0.000 0.447 3758 I N -1.462 119.116 120.570 0.013 0.000 2.286 3758 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 3758 I C 2.220 178.346 176.117 0.015 0.000 1.115 3758 I CA 1.268 62.576 61.300 0.015 0.000 1.392 3758 I CB -0.455 37.555 38.000 0.016 0.000 1.065 3758 I HN 0.038 nan 8.210 nan 0.000 0.418 3759 I N 0.966 121.544 120.570 0.013 0.000 2.202 3759 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 3759 I C 2.659 178.783 176.117 0.012 0.000 1.091 3759 I CA 1.024 62.331 61.300 0.013 0.000 1.368 3759 I CB -0.276 37.731 38.000 0.012 0.000 1.058 3759 I HN 0.085 nan 8.210 nan 0.000 0.410 3760 V N 0.829 120.750 119.914 0.012 0.000 2.343 3760 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 3760 V C 2.522 178.624 176.094 0.013 0.000 1.051 3760 V CA 2.151 64.458 62.300 0.012 0.000 1.036 3760 V CB -0.581 31.249 31.823 0.012 0.000 0.654 3760 V HN 0.436 nan 8.190 nan 0.000 0.451 3761 E N 0.883 121.091 120.200 0.015 0.000 2.072 3761 E HA -0.159 4.191 4.350 -0.000 0.000 0.191 3761 E C 2.114 178.725 176.600 0.018 0.000 0.985 3761 E CA 1.673 58.083 56.400 0.017 0.000 0.801 3761 E CB -0.505 29.206 29.700 0.018 0.000 0.750 3761 E HN 0.484 nan 8.360 nan 0.000 0.452 3762 A N 0.228 123.058 122.820 0.016 0.000 1.883 3762 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 3762 A C 2.529 180.121 177.584 0.014 0.000 1.186 3762 A CA 1.943 53.989 52.037 0.015 0.000 0.624 3762 A CB -0.964 18.044 19.000 0.013 0.000 0.822 3762 A HN 0.206 nan 8.150 nan 0.000 0.444 3763 V N -0.472 119.449 119.914 0.012 0.000 2.295 3763 V HA -0.215 3.905 4.120 -0.000 0.000 0.246 3763 V C 2.793 178.893 176.094 0.011 0.000 1.049 3763 V CA 2.325 64.631 62.300 0.010 0.000 1.024 3763 V CB -0.925 30.904 31.823 0.009 0.000 0.648 3763 V HN 0.664 nan 8.190 nan 0.000 0.447 3764 S N -0.217 115.490 115.700 0.012 0.000 2.383 3764 S HA -0.210 4.260 4.470 -0.000 0.000 0.229 3764 S C 2.074 176.683 174.600 0.015 0.000 1.030 3764 S CA 1.702 59.909 58.200 0.012 0.000 1.002 3764 S CB -0.312 62.896 63.200 0.014 0.000 0.829 3764 S HN 0.622 nan 8.310 nan 0.000 0.467 3765 A N 0.836 123.668 122.820 0.020 0.000 1.898 3765 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 3765 A C 2.370 179.967 177.584 0.021 0.000 1.181 3765 A CA 1.737 53.790 52.037 0.027 0.000 0.620 3765 A CB -0.938 18.082 19.000 0.034 0.000 0.819 3765 A HN 0.945 nan 8.150 nan 0.000 0.442 3766 V N -3.170 116.753 119.914 0.015 0.000 2.951 3766 V HA -0.000 4.120 4.120 -0.000 0.000 0.255 3766 V C 2.059 178.157 176.094 0.006 0.000 1.088 3766 V CA 1.433 63.739 62.300 0.010 0.000 1.109 3766 V CB -0.540 31.287 31.823 0.007 0.000 0.724 3766 V HN 0.179 nan 8.190 nan 0.000 0.471 3767 V N 0.587 120.505 119.914 0.006 0.000 2.626 3767 V HA -0.125 3.995 4.120 -0.000 0.000 0.252 3767 V C 1.699 177.793 176.094 0.000 0.000 1.067 3767 V CA 2.446 64.748 62.300 0.003 0.000 1.081 3767 V CB -0.516 31.309 31.823 0.004 0.000 0.686 3767 V HN 0.850 nan 8.190 nan 0.000 0.468 3768 D N -0.732 119.668 120.400 -0.000 0.000 4.508 3768 D HA -0.222 4.418 4.640 -0.000 0.000 0.178 3768 D C 0.637 176.933 176.300 -0.007 0.000 0.644 3768 D CA 1.991 55.987 54.000 -0.006 0.000 1.244 3768 D CB -1.207 39.589 40.800 -0.007 0.000 0.727 3768 D HN 0.577 nan 8.370 nan 0.000 0.495 3769 D N 1.330 121.726 120.400 -0.007 0.000 2.377 3769 D HA 0.251 4.891 4.640 -0.000 0.000 0.245 3769 D C -0.213 176.085 176.300 -0.003 0.000 1.196 3769 D CA 0.101 54.097 54.000 -0.006 0.000 0.962 3769 D CB 0.619 41.415 40.800 -0.007 0.000 1.127 3769 D HN 0.290 nan 8.370 nan 0.000 0.471 3770 E N 0.339 120.538 120.200 -0.003 0.000 2.136 3770 E HA 0.512 4.862 4.350 -0.000 0.000 0.246 3770 E C -0.924 175.675 176.600 -0.001 0.000 1.017 3770 E CA -0.590 55.810 56.400 -0.001 0.000 0.883 3770 E CB -0.415 29.285 29.700 -0.001 0.000 1.199 3770 E HN 0.494 nan 8.360 nan 0.000 0.447 3771 G N 2.371 111.171 108.800 -0.000 0.000 2.405 3771 G HA2 0.232 4.192 3.960 -0.000 0.000 0.303 3771 G HA3 0.232 4.192 3.960 -0.000 0.000 0.303 3771 G C -1.922 172.978 174.900 0.000 0.000 1.644 3771 G CA -0.937 44.163 45.100 -0.000 0.000 0.899 3771 G HN 0.210 nan 8.290 nan 0.000 0.667 3772 K N 0.370 120.770 120.400 -0.000 0.000 2.427 3772 K HA 0.778 5.098 4.320 -0.000 0.000 0.252 3772 K C -1.290 175.311 176.600 0.001 0.000 0.931 3772 K CA -0.776 55.511 56.287 0.000 0.000 0.793 3772 K CB 2.345 34.845 32.500 -0.000 0.000 1.211 3772 K HN 1.019 nan 8.250 nan 0.000 0.426 3773 V N 2.885 122.799 119.914 0.001 0.000 2.555 3773 V HA 0.563 4.683 4.120 -0.000 0.000 0.302 3773 V C -1.579 174.515 176.094 0.001 0.000 1.038 3773 V CA -0.525 61.776 62.300 0.001 0.000 0.887 3773 V CB 1.843 33.667 31.823 0.003 0.000 0.991 3773 V HN 0.894 nan 8.190 nan 0.000 0.434 3774 D N 4.698 125.098 120.400 0.000 0.000 2.461 3774 D HA 0.248 4.888 4.640 -0.000 0.000 0.240 3774 D C 0.771 177.070 176.300 -0.001 0.000 1.094 3774 D CA -0.300 53.700 54.000 -0.001 0.000 0.868 3774 D CB 1.628 42.426 40.800 -0.003 0.000 1.062 3774 D HN 0.657 nan 8.370 nan 0.000 0.530 3775 K N 2.597 122.997 120.400 -0.001 0.000 2.520 3775 K HA -0.188 4.132 4.320 -0.000 0.000 0.197 3775 K C 0.823 177.421 176.600 -0.003 0.000 1.043 3775 K CA 0.880 57.166 56.287 -0.001 0.000 0.944 3775 K CB 0.235 32.735 32.500 0.000 0.000 0.770 3775 K HN 0.281 nan 8.250 nan 0.000 0.480 3776 D N 0.229 120.626 120.400 -0.005 0.000 2.264 3776 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 3776 D C 1.319 177.613 176.300 -0.011 0.000 0.966 3776 D CA 0.732 54.727 54.000 -0.009 0.000 0.864 3776 D CB 0.176 40.971 40.800 -0.009 0.000 0.933 3776 D HN 0.258 nan 8.370 nan 0.000 0.499 3777 L N -0.106 121.112 121.223 -0.008 0.000 2.591 3777 L HA 0.194 4.534 4.340 -0.000 0.000 0.228 3777 L C 0.269 177.135 176.870 -0.007 0.000 1.133 3777 L CA 0.122 54.957 54.840 -0.009 0.000 0.880 3777 L CB 0.143 42.199 42.059 -0.004 0.000 1.033 3777 L HN 0.011 nan 8.230 nan 0.000 0.450 3778 I N 0.701 121.267 120.570 -0.006 0.000 2.405 3778 I HA 0.182 4.352 4.170 -0.000 0.000 0.280 3778 I C 0.126 176.239 176.117 -0.008 0.000 1.027 3778 I CA -0.325 60.973 61.300 -0.004 0.000 1.161 3778 I CB 1.260 39.260 38.000 0.001 0.000 1.300 3778 I HN -0.006 nan 8.210 nan 0.000 0.463 3779 K N 6.352 126.744 120.400 -0.013 0.000 2.185 3779 K HA 0.469 4.789 4.320 -0.000 0.000 0.271 3779 K C -0.738 175.854 176.600 -0.013 0.000 1.013 3779 K CA -0.470 55.806 56.287 -0.018 0.000 0.943 3779 K CB 1.060 33.541 32.500 -0.031 0.000 0.998 3779 K HN 0.437 nan 8.250 nan 0.000 0.468 3780 I N 3.930 124.492 120.570 -0.012 0.000 2.390 3780 I HA 0.166 4.335 4.170 -0.000 0.000 0.283 3780 I C -0.557 175.554 176.117 -0.010 0.000 1.016 3780 I CA -0.624 60.672 61.300 -0.006 0.000 1.151 3780 I CB 0.979 38.978 38.000 -0.000 0.000 1.293 3780 I HN 0.686 nan 8.210 nan 0.000 0.458 3781 E N 7.559 127.752 120.200 -0.013 0.000 2.151 3781 E HA 0.501 4.851 4.350 -0.000 0.000 0.275 3781 E C -0.888 175.712 176.600 0.000 0.000 0.936 3781 E CA -0.624 55.766 56.400 -0.016 0.000 0.777 3781 E CB 1.142 30.818 29.700 -0.040 0.000 1.108 3781 E HN 0.539 nan 8.360 nan 0.000 0.401 3782 K N 2.783 123.185 120.400 0.004 0.000 2.471 3782 K HA 0.617 4.937 4.320 -0.000 0.000 0.252 3782 K C -1.120 175.491 176.600 0.017 0.000 0.938 3782 K CA -1.165 55.131 56.287 0.015 0.000 0.796 3782 K CB 1.632 34.142 32.500 0.016 0.000 1.161 3782 K HN 0.179 nan 8.250 nan 0.000 0.425 3783 K N 1.874 122.289 120.400 0.025 0.000 2.578 3783 K HA 0.187 4.507 4.320 -0.000 0.000 0.250 3783 K C -1.019 175.598 176.600 0.030 0.000 0.955 3783 K CA -0.376 55.928 56.287 0.028 0.000 0.825 3783 K CB 2.072 34.593 32.500 0.035 0.000 1.151 3783 K HN 0.701 nan 8.250 nan 0.000 0.432 3784 S N 2.628 118.344 115.700 0.027 0.000 2.563 3784 S HA 0.563 5.033 4.470 -0.000 0.000 0.284 3784 S C 0.110 174.725 174.600 0.025 0.000 1.331 3784 S CA 1.270 59.485 58.200 0.025 0.000 1.047 3784 S CB -0.146 63.070 63.200 0.026 0.000 0.859 3784 S HN 1.087 nan 8.310 nan 0.000 0.514 3785 G N 1.504 110.317 108.800 0.021 0.000 2.375 3785 G HA2 0.518 4.478 3.960 -0.000 0.000 0.663 3785 G HA3 0.518 4.478 3.960 -0.000 0.000 0.663 3785 G C -0.115 174.796 174.900 0.018 0.000 1.391 3785 G CA -0.010 45.101 45.100 0.020 0.000 0.949 3785 G HN 2.128 nan 8.290 nan 0.000 0.646 3786 A N -0.625 122.203 122.820 0.014 0.000 5.949 3786 A HA 0.376 4.696 4.320 -0.000 0.000 0.275 3786 A C 1.158 178.746 177.584 0.008 0.000 2.055 3786 A CA 1.932 53.975 52.037 0.010 0.000 0.713 3786 A CB -1.612 17.396 19.000 0.013 0.000 1.146 3786 A HN 2.691 nan 8.150 nan 0.000 0.370 3787 S N -2.944 112.759 115.700 0.005 0.000 2.806 3787 S HA 0.639 5.109 4.470 -0.000 0.000 0.315 3787 S C 1.073 175.674 174.600 0.003 0.000 1.127 3787 S CA 0.218 58.419 58.200 0.002 0.000 0.918 3787 S CB 1.252 64.451 63.200 -0.001 0.000 1.240 3787 S HN 1.905 nan 8.310 nan 0.000 0.552 3788 I N 1.868 122.437 120.570 -0.002 0.000 2.493 3788 I HA -0.027 4.143 4.170 -0.000 0.000 0.254 3788 I C 1.283 177.400 176.117 0.000 0.000 1.160 3788 I CA 1.684 62.983 61.300 -0.002 0.000 1.445 3788 I CB -0.422 37.572 38.000 -0.009 0.000 1.086 3788 I HN 0.581 nan 8.210 nan 0.000 0.433 3789 D N 0.696 121.095 120.400 -0.001 0.000 2.178 3789 D HA -0.178 4.462 4.640 -0.000 0.000 0.201 3789 D C 1.560 177.861 176.300 0.003 0.000 0.980 3789 D CA 1.343 55.343 54.000 -0.000 0.000 0.842 3789 D CB -0.298 40.501 40.800 -0.002 0.000 0.948 3789 D HN 0.444 nan 8.370 nan 0.000 0.472 3790 D N -0.351 120.052 120.400 0.005 0.000 2.348 3790 D HA -0.029 4.611 4.640 -0.000 0.000 0.216 3790 D C 0.363 176.672 176.300 0.016 0.000 0.970 3790 D CA 0.500 54.505 54.000 0.009 0.000 0.889 3790 D CB -0.045 40.761 40.800 0.010 0.000 0.912 3790 D HN 0.020 nan 8.370 nan 0.000 0.524 3791 T N 1.323 115.887 114.554 0.016 0.000 2.908 3791 T HA 0.147 4.497 4.350 -0.000 0.000 0.325 3791 T C 0.319 175.033 174.700 0.024 0.000 1.092 3791 T CA 0.286 62.399 62.100 0.022 0.000 1.125 3791 T CB 0.423 69.300 68.868 0.016 0.000 1.016 3791 T HN 0.318 nan 8.240 nan 0.000 0.550 3792 E N 0.754 120.974 120.200 0.033 0.000 2.429 3792 E HA 0.555 4.905 4.350 -0.000 0.000 0.280 3792 E C -1.814 174.810 176.600 0.040 0.000 1.068 3792 E CA -1.082 55.339 56.400 0.034 0.000 0.837 3792 E CB 0.970 30.692 29.700 0.037 0.000 1.357 3792 E HN 0.349 nan 8.360 nan 0.000 0.455 3793 L N 1.223 122.468 121.223 0.036 0.000 2.317 3793 L HA 0.592 4.932 4.340 -0.000 0.000 0.281 3793 L C -1.532 175.366 176.870 0.047 0.000 1.024 3793 L CA -0.552 54.310 54.840 0.037 0.000 0.810 3793 L CB 1.345 43.419 42.059 0.026 0.000 1.240 3793 L HN 0.626 nan 8.230 nan 0.000 0.427 3794 I N 4.311 124.914 120.570 0.054 0.000 2.411 3794 I HA 0.327 4.497 4.170 -0.000 0.000 0.284 3794 I C -0.226 175.918 176.117 0.046 0.000 1.012 3794 I CA -0.476 60.865 61.300 0.069 0.000 1.119 3794 I CB 1.358 39.429 38.000 0.118 0.000 1.261 3794 I HN 0.419 nan 8.210 nan 0.000 0.448 3795 K N 4.798 125.220 120.400 0.036 0.000 2.199 3795 K HA 0.545 4.865 4.320 -0.000 0.000 0.226 3795 K C 0.428 177.041 176.600 0.023 0.000 1.237 3795 K CA 0.067 56.368 56.287 0.024 0.000 1.170 3795 K CB -0.338 32.171 32.500 0.013 0.000 1.418 3795 K HN 0.874 nan 8.250 nan 0.000 0.255 3796 G N -1.402 107.411 108.800 0.023 0.000 2.441 3796 G HA2 0.263 4.223 3.960 -0.000 0.000 0.225 3796 G HA3 0.263 4.223 3.960 -0.000 0.000 0.225 3796 G C -1.617 173.283 174.900 -0.001 0.000 1.200 3796 G CA -0.630 44.480 45.100 0.017 0.000 0.947 3796 G HN 0.064 nan 8.290 nan 0.000 0.484 3797 V N 0.382 120.286 119.914 -0.016 0.000 3.007 3797 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 3797 V C -0.875 175.144 176.094 -0.125 0.000 1.120 3797 V CA -0.679 61.583 62.300 -0.063 0.000 0.980 3797 V CB 2.012 33.788 31.823 -0.079 0.000 1.033 3797 V HN 0.829 nan 8.190 nan 0.000 0.429 3798 L N 4.053 125.160 121.223 -0.194 0.000 2.345 3798 L HA 0.694 5.034 4.340 -0.000 0.000 0.274 3798 L C -1.204 175.506 176.870 -0.266 0.000 0.999 3798 L CA -0.368 54.239 54.840 -0.390 0.000 0.849 3798 L CB 1.460 43.228 42.059 -0.485 0.000 1.220 3798 L HN 0.487 nan 8.230 nan 0.000 0.422 3799 V N 3.325 123.099 119.914 -0.234 0.000 2.472 3799 V HA 0.254 4.374 4.120 -0.000 0.000 0.290 3799 V C -0.220 175.809 176.094 -0.108 0.000 1.037 3799 V CA -0.656 61.571 62.300 -0.121 0.000 0.908 3799 V CB 1.703 33.502 31.823 -0.040 0.000 0.985 3799 V HN 0.778 nan 8.190 nan 0.000 0.454 3800 D N 3.409 123.769 120.400 -0.066 0.000 2.896 3800 D HA 0.276 4.916 4.640 -0.000 0.000 0.240 3800 D C -0.142 176.155 176.300 -0.005 0.000 1.193 3800 D CA -0.257 53.719 54.000 -0.039 0.000 0.983 3800 D CB 0.202 40.983 40.800 -0.032 0.000 1.074 3800 D HN 0.500 nan 8.370 nan 0.000 0.496 3801 K N -0.088 120.318 120.400 0.010 0.000 2.439 3801 K HA 0.511 4.831 4.320 -0.000 0.000 0.260 3801 K C -0.633 175.988 176.600 0.034 0.000 1.032 3801 K CA -0.919 55.386 56.287 0.031 0.000 0.882 3801 K CB 2.544 35.080 32.500 0.059 0.000 1.420 3801 K HN 0.088 nan 8.250 nan 0.000 0.455 3802 E N 0.706 120.923 120.200 0.029 0.000 2.320 3802 E HA 0.288 4.638 4.350 -0.000 0.000 0.264 3802 E C -1.071 175.533 176.600 0.007 0.000 0.923 3802 E CA -0.840 55.574 56.400 0.024 0.000 0.796 3802 E CB 1.566 31.278 29.700 0.020 0.000 1.262 3802 E HN 0.288 nan 8.360 nan 0.000 0.428 3803 R N 1.826 122.327 120.500 0.002 0.000 2.404 3803 R HA 0.046 4.386 4.340 -0.000 0.000 0.315 3803 R C 1.089 177.378 176.300 -0.018 0.000 1.032 3803 R CA -0.225 55.862 56.100 -0.022 0.000 0.992 3803 R CB 0.470 30.760 30.300 -0.016 0.000 0.959 3803 R HN 0.376 nan 8.270 nan 0.000 0.428 3804 V N 1.773 121.667 119.914 -0.032 0.000 2.380 3804 V HA -0.203 3.917 4.120 -0.000 0.000 0.251 3804 V C 1.211 177.299 176.094 -0.010 0.000 1.063 3804 V CA 1.793 64.080 62.300 -0.023 0.000 1.055 3804 V CB -0.240 31.561 31.823 -0.036 0.000 0.657 3804 V HN 0.709 nan 8.190 nan 0.000 0.455 3805 S N -1.411 114.285 115.700 -0.007 0.000 2.501 3805 S HA 0.658 5.128 4.470 -0.000 0.000 0.301 3805 S C 0.872 175.478 174.600 0.011 0.000 1.096 3805 S CA -0.186 58.022 58.200 0.012 0.000 1.063 3805 S CB 1.894 65.111 63.200 0.029 0.000 1.042 3805 S HN 0.311 nan 8.310 nan 0.000 0.494 3806 A N 3.443 126.272 122.820 0.015 0.000 1.930 3806 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 3806 A C 1.920 179.509 177.584 0.009 0.000 1.175 3806 A CA 1.022 53.065 52.037 0.010 0.000 0.627 3806 A CB -0.475 18.529 19.000 0.008 0.000 0.815 3806 A HN 0.806 nan 8.150 nan 0.000 0.443 3807 Q N -0.490 119.318 119.800 0.013 0.000 2.472 3807 Q HA 0.121 4.461 4.340 -0.000 0.000 0.208 3807 Q C 0.493 176.501 176.000 0.014 0.000 0.958 3807 Q CA 0.208 56.018 55.803 0.011 0.000 0.932 3807 Q CB -0.339 28.406 28.738 0.010 0.000 1.007 3807 Q HN 0.692 nan 8.270 nan 0.000 0.508 3808 M N 1.795 121.403 119.600 0.013 0.000 2.248 3808 M HA 0.093 4.573 4.480 -0.000 0.000 0.337 3808 M C -1.948 174.355 176.300 0.006 0.000 1.121 3808 M CA -1.430 53.874 55.300 0.008 0.000 1.155 3808 M CB -0.103 32.495 32.600 -0.003 0.000 1.514 3808 M HN -0.194 nan 8.290 nan 0.000 0.452 3809 P HA 0.003 nan 4.420 nan 0.000 0.267 3809 P C -0.328 176.977 177.300 0.007 0.000 1.200 3809 P CA 0.195 63.299 63.100 0.007 0.000 0.772 3809 P CB 0.469 32.173 31.700 0.007 0.000 0.855 3810 K N 1.269 121.674 120.400 0.008 0.000 2.393 3810 K HA 0.051 4.371 4.320 -0.000 0.000 0.193 3810 K C 0.090 176.698 176.600 0.014 0.000 1.026 3810 K CA 0.434 56.728 56.287 0.011 0.000 1.064 3810 K CB 0.183 32.689 32.500 0.009 0.000 0.833 3810 K HN 0.142 nan 8.250 nan 0.000 0.521 3811 K N 0.249 120.656 120.400 0.012 0.000 2.571 3811 K HA 0.228 4.548 4.320 -0.000 0.000 0.252 3811 K C -2.223 174.385 176.600 0.013 0.000 0.956 3811 K CA -0.657 55.638 56.287 0.013 0.000 0.822 3811 K CB 2.037 34.542 32.500 0.008 0.000 1.286 3811 K HN -0.117 nan 8.250 nan 0.000 0.439 3812 V N 3.896 123.821 119.914 0.018 0.000 2.638 3812 V HA 0.773 4.893 4.120 -0.000 0.000 0.306 3812 V C -1.257 174.849 176.094 0.020 0.000 1.052 3812 V CA -0.029 62.282 62.300 0.018 0.000 0.885 3812 V CB 1.984 33.819 31.823 0.021 0.000 0.999 3812 V HN 0.953 nan 8.190 nan 0.000 0.424 3813 T N 1.542 116.105 114.554 0.016 0.000 2.855 3813 T HA 0.516 4.866 4.350 -0.000 0.000 0.281 3813 T C 0.029 174.739 174.700 0.016 0.000 1.007 3813 T CA 0.175 62.284 62.100 0.015 0.000 1.009 3813 T CB 1.258 70.132 68.868 0.010 0.000 0.983 3813 T HN 1.075 nan 8.240 nan 0.000 0.455 3814 D N 0.672 121.082 120.400 0.016 0.000 2.689 3814 D HA -0.156 4.484 4.640 -0.000 0.000 0.237 3814 D C 0.396 176.709 176.300 0.022 0.000 1.148 3814 D CA 0.875 54.885 54.000 0.017 0.000 0.656 3814 D CB -1.216 39.592 40.800 0.013 0.000 1.050 3814 D HN 1.121 nan 8.370 nan 0.000 0.426 3815 A N 1.318 124.155 122.820 0.028 0.000 2.498 3815 A HA 0.369 4.689 4.320 -0.000 0.000 0.239 3815 A C 0.536 178.143 177.584 0.038 0.000 1.068 3815 A CA 0.231 52.289 52.037 0.035 0.000 0.766 3815 A CB 0.577 19.605 19.000 0.046 0.000 1.003 3815 A HN 0.162 nan 8.150 nan 0.000 0.497 3816 K N 2.486 122.909 120.400 0.038 0.000 2.389 3816 K HA 0.417 4.737 4.320 -0.000 0.000 0.261 3816 K C -1.253 175.379 176.600 0.054 0.000 1.014 3816 K CA -0.211 56.100 56.287 0.040 0.000 0.920 3816 K CB 1.061 33.579 32.500 0.031 0.000 1.149 3816 K HN 0.537 nan 8.250 nan 0.000 0.444 3817 I N 1.931 122.544 120.570 0.072 0.000 2.365 3817 I HA 0.300 4.469 4.170 -0.000 0.000 0.291 3817 I C 0.352 176.531 176.117 0.102 0.000 1.004 3817 I CA -0.375 60.992 61.300 0.111 0.000 1.311 3817 I CB 1.584 39.678 38.000 0.156 0.000 1.401 3817 I HN 0.486 nan 8.210 nan 0.000 0.491 3818 A N 6.444 129.334 122.820 0.117 0.000 2.318 3818 A HA 0.806 5.126 4.320 -0.000 0.000 0.324 3818 A C -1.130 176.543 177.584 0.147 0.000 1.170 3818 A CA -0.516 51.581 52.037 0.099 0.000 0.810 3818 A CB 0.974 20.013 19.000 0.066 0.000 1.198 3818 A HN 0.600 nan 8.150 nan 0.000 0.484 3819 L N 3.649 124.938 121.223 0.109 0.000 2.324 3819 L HA 0.580 4.920 4.340 -0.000 0.000 0.274 3819 L C -1.213 175.701 176.870 0.073 0.000 1.012 3819 L CA -0.011 54.895 54.840 0.110 0.000 0.859 3819 L CB 0.516 42.610 42.059 0.057 0.000 1.224 3819 L HN 0.646 nan 8.230 nan 0.000 0.429 3820 L N 4.213 125.485 121.223 0.082 0.000 2.334 3820 L HA 0.533 4.873 4.340 -0.000 0.000 0.276 3820 L C 0.805 177.706 176.870 0.052 0.000 1.014 3820 L CA -0.464 54.409 54.840 0.054 0.000 0.815 3820 L CB 1.835 43.922 42.059 0.046 0.000 1.268 3820 L HN 0.600 nan 8.230 nan 0.000 0.428 3821 N N 0.527 119.248 118.700 0.035 0.000 2.397 3821 N HA -0.022 4.718 4.740 -0.000 0.000 0.190 3821 N C 0.249 175.773 175.510 0.023 0.000 1.099 3821 N CA -0.159 52.908 53.050 0.029 0.000 0.876 3821 N CB 0.593 39.092 38.487 0.021 0.000 1.143 3821 N HN 0.580 nan 8.380 nan 0.000 0.468 3822 C N 2.493 121.805 119.300 0.021 0.000 2.644 3822 C HA 0.655 5.115 4.460 -0.000 0.000 0.417 3822 C C 1.004 176.003 174.990 0.016 0.000 1.304 3822 C CA -0.712 58.315 59.018 0.016 0.000 2.035 3822 C CB -0.814 26.935 27.740 0.016 0.000 2.673 3822 C HN 0.430 nan 8.230 nan 0.000 0.602 3823 A N 6.617 129.444 122.820 0.011 0.000 2.462 3823 A HA 0.454 4.774 4.320 -0.000 0.000 0.243 3823 A C 0.253 177.841 177.584 0.006 0.000 1.076 3823 A CA -0.128 51.913 52.037 0.007 0.000 0.773 3823 A CB 0.058 19.060 19.000 0.002 0.000 1.010 3823 A HN 0.799 nan 8.150 nan 0.000 0.493 3824 I N 3.271 123.842 120.570 0.003 0.000 2.234 3824 I HA 0.171 4.341 4.170 -0.000 0.000 0.287 3824 I C 0.618 176.734 176.117 -0.001 0.000 1.131 3824 I CA 0.431 61.734 61.300 0.005 0.000 1.335 3824 I CB -1.473 36.530 38.000 0.006 0.000 1.511 3824 I HN 0.887 nan 8.210 nan 0.000 0.588 3825 E N 3.744 123.945 120.200 0.002 0.000 2.431 3825 E HA 0.517 4.867 4.350 -0.000 0.000 0.268 3825 E C -0.668 175.936 176.600 0.008 0.000 0.953 3825 E CA -1.012 55.387 56.400 -0.001 0.000 0.810 3825 E CB 1.972 31.668 29.700 -0.006 0.000 1.369 3825 E HN -0.038 nan 8.360 nan 0.000 0.440 3826 I N 2.405 122.980 120.570 0.009 0.000 2.483 3826 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 3826 I C 0.384 176.509 176.117 0.013 0.000 1.112 3826 I CA -0.156 61.153 61.300 0.016 0.000 1.350 3826 I CB -0.506 37.505 38.000 0.018 0.000 1.419 3826 I HN 0.411 nan 8.210 nan 0.000 0.523 3827 K N 5.937 126.346 120.400 0.015 0.000 2.414 3827 K HA 0.162 4.482 4.320 -0.000 0.000 0.272 3827 K C 0.264 176.872 176.600 0.014 0.000 0.993 3827 K CA -0.114 56.181 56.287 0.013 0.000 0.964 3827 K CB 1.084 33.592 32.500 0.014 0.000 0.925 3827 K HN 0.425 nan 8.250 nan 0.000 0.487 3828 E N 0.941 121.147 120.200 0.009 0.000 2.288 3828 E HA 0.168 4.518 4.350 -0.000 0.000 0.268 3828 E C -0.425 176.180 176.600 0.008 0.000 0.885 3828 E CA -0.612 55.792 56.400 0.008 0.000 0.767 3828 E CB 1.770 31.472 29.700 0.002 0.000 1.220 3828 E HN 0.622 nan 8.360 nan 0.000 0.427 3829 T N -0.285 114.274 114.554 0.008 0.000 2.903 3829 T HA 0.077 4.427 4.350 -0.000 0.000 0.314 3829 T C 1.072 175.774 174.700 0.004 0.000 1.078 3829 T CA -0.433 61.672 62.100 0.008 0.000 1.114 3829 T CB 0.959 69.833 68.868 0.009 0.000 0.987 3829 T HN 0.231 nan 8.240 nan 0.000 0.548 3830 E N 0.760 120.963 120.200 0.004 0.000 2.077 3830 E HA -0.055 4.295 4.350 -0.000 0.000 0.193 3830 E C 1.291 177.892 176.600 0.002 0.000 0.989 3830 E CA 0.978 57.379 56.400 0.003 0.000 0.800 3830 E CB -0.548 29.154 29.700 0.003 0.000 0.746 3830 E HN 0.805 nan 8.360 nan 0.000 0.452 3831 T N 1.597 116.152 114.554 0.002 0.000 2.919 3831 T HA -0.027 4.323 4.350 -0.000 0.000 0.302 3831 T C -0.188 174.512 174.700 -0.000 0.000 1.031 3831 T CA -0.563 61.538 62.100 0.002 0.000 1.127 3831 T CB 0.584 69.454 68.868 0.003 0.000 0.952 3831 T HN -0.153 nan 8.240 nan 0.000 0.540 3832 D N 2.516 122.915 120.400 -0.002 0.000 2.458 3832 D HA 0.426 5.066 4.640 -0.000 0.000 0.243 3832 D C -0.415 175.882 176.300 -0.006 0.000 1.146 3832 D CA 0.170 54.167 54.000 -0.005 0.000 0.877 3832 D CB 0.519 41.315 40.800 -0.006 0.000 1.176 3832 D HN 0.759 nan 8.370 nan 0.000 0.461 3833 A N 3.433 126.247 122.820 -0.010 0.000 2.556 3833 A HA 0.721 5.041 4.320 -0.000 0.000 0.294 3833 A C -0.894 176.675 177.584 -0.026 0.000 1.091 3833 A CA -0.693 51.337 52.037 -0.012 0.000 0.704 3833 A CB 1.699 20.696 19.000 -0.005 0.000 1.300 3833 A HN 0.588 nan 8.150 nan 0.000 0.406 3834 E N 0.612 120.791 120.200 -0.035 0.000 2.381 3834 E HA 0.454 4.804 4.350 -0.000 0.000 0.286 3834 E C -1.819 174.731 176.600 -0.083 0.000 0.960 3834 E CA -0.672 55.691 56.400 -0.062 0.000 0.793 3834 E CB 1.278 30.947 29.700 -0.052 0.000 1.225 3834 E HN 0.496 nan 8.360 nan 0.000 0.420 3835 I N 3.298 123.773 120.570 -0.159 0.000 2.496 3835 I HA 0.183 4.353 4.170 -0.000 0.000 0.285 3835 I C 0.172 176.190 176.117 -0.165 0.000 1.080 3835 I CA -0.031 61.123 61.300 -0.243 0.000 1.404 3835 I CB 0.554 38.167 38.000 -0.644 0.000 1.403 3835 I HN 0.293 nan 8.210 nan 0.000 0.539 3836 R N 7.358 127.810 120.500 -0.079 0.000 2.423 3836 R HA 0.443 4.783 4.340 -0.000 0.000 0.293 3836 R C -0.625 175.683 176.300 0.012 0.000 1.196 3836 R CA -0.570 55.512 56.100 -0.030 0.000 1.262 3836 R CB 0.203 30.501 30.300 -0.003 0.000 1.116 3836 R HN 0.554 nan 8.270 nan 0.000 0.566 3837 I N 1.900 122.466 120.570 -0.007 0.000 2.588 3837 I HA -0.001 4.169 4.170 -0.000 0.000 0.283 3837 I C 1.439 177.585 176.117 0.048 0.000 1.119 3837 I CA 0.562 61.897 61.300 0.058 0.000 1.419 3837 I CB 1.056 39.080 38.000 0.040 0.000 1.394 3837 I HN 0.524 nan 8.210 nan 0.000 0.562 3838 T N -0.748 113.845 114.554 0.066 0.000 3.087 3838 T HA 0.272 4.622 4.350 -0.000 0.000 0.283 3838 T C 0.071 174.796 174.700 0.042 0.000 0.956 3838 T CA -0.329 61.798 62.100 0.044 0.000 0.894 3838 T CB 0.303 69.195 68.868 0.039 0.000 1.160 3838 T HN 0.450 nan 8.240 nan 0.000 0.532 3839 D N 1.374 121.806 120.400 0.054 0.000 2.857 3839 D HA 0.322 4.962 4.640 -0.000 0.000 0.227 3839 D C -2.325 174.005 176.300 0.051 0.000 1.192 3839 D CA -1.511 52.515 54.000 0.043 0.000 0.857 3839 D CB 2.767 43.588 40.800 0.035 0.000 1.645 3839 D HN -0.234 nan 8.370 nan 0.000 0.482 3840 P HA -0.121 nan 4.420 nan 0.000 0.218 3840 P C 1.157 178.481 177.300 0.040 0.000 1.148 3840 P CA 1.067 64.190 63.100 0.037 0.000 0.822 3840 P CB 0.290 32.005 31.700 0.025 0.000 0.784 3841 A N -0.013 122.825 122.820 0.030 0.000 1.978 3841 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 3841 A C 2.069 179.667 177.584 0.023 0.000 1.170 3841 A CA 1.655 53.702 52.037 0.018 0.000 0.636 3841 A CB -0.950 18.051 19.000 0.003 0.000 0.810 3841 A HN 0.195 nan 8.150 nan 0.000 0.448 3842 K N -0.455 119.981 120.400 0.060 0.000 2.155 3842 K HA 0.069 4.389 4.320 -0.000 0.000 0.203 3842 K C 1.687 178.430 176.600 0.237 0.000 1.052 3842 K CA 0.889 57.251 56.287 0.125 0.000 0.948 3842 K CB -0.310 32.343 32.500 0.254 0.000 0.728 3842 K HN 0.476 nan 8.250 nan 0.000 0.448 3843 L N 0.411 121.730 121.223 0.160 0.000 2.127 3843 L HA -0.214 4.126 4.340 -0.000 0.000 0.211 3843 L C 2.384 179.328 176.870 0.125 0.000 1.089 3843 L CA 0.950 55.873 54.840 0.139 0.000 0.757 3843 L CB -0.310 41.795 42.059 0.077 0.000 0.899 3843 L HN 0.256 nan 8.230 nan 0.000 0.434 3844 M N -1.403 118.247 119.600 0.083 0.000 2.357 3844 M HA -0.074 4.406 4.480 -0.000 0.000 0.266 3844 M C 2.190 178.509 176.300 0.031 0.000 1.095 3844 M CA 1.050 56.381 55.300 0.052 0.000 1.156 3844 M CB -0.953 31.663 32.600 0.026 0.000 1.365 3844 M HN 0.189 nan 8.290 nan 0.000 0.447 3845 E N 0.662 120.854 120.200 -0.013 0.000 2.070 3845 E HA -0.198 4.152 4.350 -0.000 0.000 0.197 3845 E C 1.937 178.436 176.600 -0.169 0.000 1.004 3845 E CA 1.706 58.021 56.400 -0.142 0.000 0.805 3845 E CB -0.194 29.337 29.700 -0.281 0.000 0.744 3845 E HN 0.455 nan 8.360 nan 0.000 0.451 3846 F N 0.398 120.352 119.950 0.007 0.000 2.206 3846 F HA -0.017 4.510 4.527 0.000 0.000 0.298 3846 F C 2.514 178.320 175.800 0.010 0.000 1.090 3846 F CA 0.571 58.575 58.000 0.007 0.000 1.323 3846 F CB -0.194 38.810 39.000 0.006 0.000 1.028 3846 F HN -0.016 nan 8.300 nan 0.000 0.492 3847 I N -0.029 120.655 120.570 0.190 0.000 2.163 3847 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 3847 I C 2.288 178.451 176.117 0.076 0.000 1.085 3847 I CA 1.304 62.671 61.300 0.113 0.000 1.347 3847 I CB -0.390 37.660 38.000 0.084 0.000 1.044 3847 I HN 0.109 nan 8.210 nan 0.000 0.408 3848 E N 0.198 120.428 120.200 0.050 0.000 2.150 3848 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 3848 E C 2.022 178.634 176.600 0.021 0.000 0.985 3848 E CA 0.948 57.364 56.400 0.026 0.000 0.814 3848 E CB -0.189 29.513 29.700 0.003 0.000 0.752 3848 E HN 0.447 nan 8.360 nan 0.000 0.466 3849 Q N 1.349 121.161 119.800 0.020 0.000 2.079 3849 Q HA -0.133 4.207 4.340 -0.000 0.000 0.200 3849 Q C 1.673 177.703 176.000 0.050 0.000 0.974 3849 Q CA 1.577 57.391 55.803 0.019 0.000 0.840 3849 Q CB 0.018 28.758 28.738 0.004 0.000 0.898 3849 Q HN 0.287 nan 8.270 nan 0.000 0.430 3850 E N -0.406 119.840 120.200 0.076 0.000 2.152 3850 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 3850 E C 1.844 178.481 176.600 0.061 0.000 0.983 3850 E CA 0.811 57.254 56.400 0.072 0.000 0.818 3850 E CB 0.094 29.842 29.700 0.079 0.000 0.758 3850 E HN 0.347 nan 8.360 nan 0.000 0.467 3851 E N 1.050 121.286 120.200 0.060 0.000 2.072 3851 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 3851 E C 1.909 178.541 176.600 0.052 0.000 0.985 3851 E CA 0.847 57.285 56.400 0.065 0.000 0.801 3851 E CB -0.113 29.622 29.700 0.058 0.000 0.750 3851 E HN 0.164 nan 8.360 nan 0.000 0.452 3852 K N 0.654 121.075 120.400 0.034 0.000 2.026 3852 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 3852 K C 2.282 178.898 176.600 0.026 0.000 1.048 3852 K CA 1.361 57.660 56.287 0.020 0.000 0.929 3852 K CB -0.162 32.344 32.500 0.009 0.000 0.713 3852 K HN 0.040 nan 8.250 nan 0.000 0.439 3853 M N 0.940 120.560 119.600 0.033 0.000 2.108 3853 M HA -0.191 4.289 4.480 -0.000 0.000 0.261 3853 M C 2.085 178.410 176.300 0.042 0.000 1.066 3853 M CA 1.473 56.794 55.300 0.035 0.000 1.107 3853 M CB -0.068 32.555 32.600 0.038 0.000 1.356 3853 M HN 0.357 nan 8.290 nan 0.000 0.406 3854 L N 0.094 121.351 121.223 0.056 0.000 2.027 3854 L HA -0.223 4.117 4.340 -0.000 0.000 0.206 3854 L C 2.249 179.177 176.870 0.096 0.000 1.074 3854 L CA 1.546 56.432 54.840 0.077 0.000 0.745 3854 L CB -0.303 41.813 42.059 0.096 0.000 0.898 3854 L HN 0.280 nan 8.230 nan 0.000 0.433 3855 K N -0.349 120.099 120.400 0.080 0.000 2.097 3855 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 3855 K C 1.657 178.270 176.600 0.022 0.000 1.049 3855 K CA 1.576 57.886 56.287 0.038 0.000 0.933 3855 K CB -0.162 32.329 32.500 -0.015 0.000 0.717 3855 K HN 0.356 nan 8.250 nan 0.000 0.442 3856 D N 0.528 120.941 120.400 0.022 0.000 2.144 3856 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 3856 D C 1.936 178.250 176.300 0.022 0.000 0.984 3856 D CA 0.996 55.006 54.000 0.015 0.000 0.834 3856 D CB 0.004 40.812 40.800 0.014 0.000 0.955 3856 D HN 0.069 nan 8.370 nan 0.000 0.465 3857 M N 0.373 119.993 119.600 0.032 0.000 2.084 3857 M HA -0.138 4.341 4.480 -0.000 0.000 0.259 3857 M C 2.455 178.777 176.300 0.037 0.000 1.072 3857 M CA 0.945 56.265 55.300 0.034 0.000 1.107 3857 M CB -1.092 31.531 32.600 0.039 0.000 1.299 3857 M HN -0.071 nan 8.290 nan 0.000 0.413 3858 V N 0.597 120.544 119.914 0.055 0.000 2.287 3858 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 3858 V C 2.734 178.851 176.094 0.038 0.000 1.053 3858 V CA 1.945 64.284 62.300 0.064 0.000 1.027 3858 V CB -1.461 30.436 31.823 0.124 0.000 0.646 3858 V HN 0.543 nan 8.190 nan 0.000 0.447 3859 A N -0.153 122.680 122.820 0.022 0.000 1.940 3859 A HA -0.286 4.034 4.320 -0.000 0.000 0.219 3859 A C 2.192 179.781 177.584 0.009 0.000 1.176 3859 A CA 2.186 54.225 52.037 0.005 0.000 0.631 3859 A CB -0.528 18.468 19.000 -0.007 0.000 0.814 3859 A HN 0.570 nan 8.150 nan 0.000 0.446 3860 E N 0.269 120.477 120.200 0.014 0.000 2.077 3860 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 3860 E C 1.696 178.306 176.600 0.017 0.000 0.989 3860 E CA 1.383 57.792 56.400 0.014 0.000 0.800 3860 E CB -0.394 29.316 29.700 0.016 0.000 0.746 3860 E HN 0.657 nan 8.360 nan 0.000 0.452 3861 I N 0.613 121.195 120.570 0.021 0.000 2.142 3861 I HA -0.277 3.893 4.170 -0.000 0.000 0.240 3861 I C 2.618 178.747 176.117 0.020 0.000 1.078 3861 I CA 1.285 62.599 61.300 0.022 0.000 1.343 3861 I CB -0.444 37.571 38.000 0.025 0.000 1.046 3861 I HN 0.102 nan 8.210 nan 0.000 0.405 3862 K N 1.679 122.090 120.400 0.018 0.000 2.063 3862 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 3862 K C 2.126 178.733 176.600 0.011 0.000 1.048 3862 K CA 1.805 58.101 56.287 0.015 0.000 0.928 3862 K CB -0.239 32.268 32.500 0.011 0.000 0.713 3862 K HN 0.317 nan 8.250 nan 0.000 0.442 3863 A N 0.507 123.333 122.820 0.010 0.000 2.024 3863 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 3863 A C 2.239 179.829 177.584 0.010 0.000 1.164 3863 A CA 2.164 54.206 52.037 0.008 0.000 0.643 3863 A CB -0.652 18.352 19.000 0.007 0.000 0.806 3863 A HN 0.440 nan 8.150 nan 0.000 0.451 3864 S N -1.967 113.741 115.700 0.014 0.000 2.453 3864 S HA 0.217 4.687 4.470 -0.000 0.000 0.231 3864 S C 1.483 176.093 174.600 0.016 0.000 1.005 3864 S CA 1.624 59.834 58.200 0.016 0.000 0.949 3864 S CB -0.322 62.890 63.200 0.019 0.000 0.774 3864 S HN 1.818 nan 8.310 nan 0.000 0.510 3865 G N -0.010 108.799 108.800 0.015 0.000 2.176 3865 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.232 3865 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.232 3865 G C 0.152 175.063 174.900 0.019 0.000 0.986 3865 G CA 0.112 45.221 45.100 0.016 0.000 0.643 3865 G HN 1.018 nan 8.290 nan 0.000 0.522 3866 A N 0.047 122.880 122.820 0.022 0.000 2.477 3866 A HA 0.600 4.920 4.320 -0.000 0.000 0.246 3866 A C 1.081 178.677 177.584 0.020 0.000 1.078 3866 A CA 0.777 52.829 52.037 0.026 0.000 0.770 3866 A CB 0.183 19.201 19.000 0.030 0.000 1.011 3866 A HN 0.378 nan 8.150 nan 0.000 0.494 3867 N N 0.483 119.196 118.700 0.021 0.000 2.159 3867 N HA 0.167 4.907 4.740 -0.000 0.000 0.217 3867 N C -0.880 174.631 175.510 0.002 0.000 1.223 3867 N CA 0.370 53.428 53.050 0.013 0.000 0.896 3867 N CB 1.237 39.734 38.487 0.016 0.000 1.064 3867 N HN 0.360 nan 8.380 nan 0.000 0.518 3868 V N 1.889 121.808 119.914 0.008 0.000 2.709 3868 V HA 0.510 4.630 4.120 -0.000 0.000 0.308 3868 V C -1.076 175.006 176.094 -0.019 0.000 1.062 3868 V CA -0.908 61.377 62.300 -0.024 0.000 0.901 3868 V CB 2.696 34.540 31.823 0.036 0.000 1.003 3868 V HN -0.032 nan 8.190 nan 0.000 0.425 3869 L N 4.560 125.705 121.223 -0.130 0.000 2.470 3869 L HA 0.726 5.066 4.340 -0.000 0.000 0.268 3869 L C -1.728 174.999 176.870 -0.238 0.000 0.964 3869 L CA -0.045 54.750 54.840 -0.075 0.000 0.839 3869 L CB 1.768 43.802 42.059 -0.041 0.000 1.276 3869 L HN 0.476 nan 8.230 nan 0.000 0.403 3870 F N 4.865 124.819 119.950 0.006 0.000 2.388 3870 F HA 0.525 5.051 4.527 -0.000 0.000 0.358 3870 F C 0.207 176.007 175.800 0.001 0.000 1.122 3870 F CA -0.240 57.761 58.000 0.002 0.000 1.056 3870 F CB 1.435 40.435 39.000 0.001 0.000 1.155 3870 F HN 0.575 nan 8.300 nan 0.000 0.461 3871 C N 4.695 124.066 119.300 0.118 0.000 2.376 3871 C HA 0.287 4.747 4.460 -0.000 0.000 0.335 3871 C C 1.502 176.540 174.990 0.079 0.000 1.229 3871 C CA -0.377 58.686 59.018 0.075 0.000 1.867 3871 C CB 1.183 28.938 27.740 0.024 0.000 2.319 3871 C HN 0.946 nan 8.230 nan 0.000 0.515 3872 Q N 2.833 122.668 119.800 0.059 0.000 2.062 3872 Q HA 0.007 4.347 4.340 -0.000 0.000 0.196 3872 Q C 1.106 177.125 176.000 0.030 0.000 0.967 3872 Q CA 1.480 57.311 55.803 0.046 0.000 0.832 3872 Q CB 0.132 28.890 28.738 0.033 0.000 0.899 3872 Q HN 0.696 nan 8.270 nan 0.000 0.442 3873 K N -0.294 120.118 120.400 0.021 0.000 2.894 3873 K HA 0.301 4.621 4.320 -0.000 0.000 0.325 3873 K C 0.584 177.186 176.600 0.004 0.000 0.984 3873 K CA 0.212 56.505 56.287 0.010 0.000 1.266 3873 K CB -0.895 31.609 32.500 0.006 0.000 1.423 3873 K HN 0.169 nan 8.250 nan 0.000 0.614 3874 G N 0.231 109.028 108.800 -0.005 0.000 2.504 3874 G HA2 0.552 4.512 3.960 -0.000 0.000 0.288 3874 G HA3 0.552 4.512 3.960 -0.000 0.000 0.288 3874 G C -0.557 174.328 174.900 -0.025 0.000 1.182 3874 G CA -0.582 44.508 45.100 -0.016 0.000 0.894 3874 G HN 0.300 nan 8.290 nan 0.000 0.521 3875 I N 1.131 121.677 120.570 -0.040 0.000 2.439 3875 I HA 0.148 4.318 4.170 -0.000 0.000 0.283 3875 I C -0.343 175.722 176.117 -0.085 0.000 1.023 3875 I CA -0.738 60.527 61.300 -0.059 0.000 1.100 3875 I CB 1.803 39.766 38.000 -0.062 0.000 1.238 3875 I HN 0.450 nan 8.210 nan 0.000 0.445 3876 D N 5.010 125.352 120.400 -0.097 0.000 2.449 3876 D HA -0.082 4.558 4.640 -0.000 0.000 0.236 3876 D C 0.638 176.811 176.300 -0.213 0.000 1.149 3876 D CA 0.279 54.201 54.000 -0.130 0.000 0.878 3876 D CB 1.277 42.005 40.800 -0.120 0.000 1.198 3876 D HN 0.476 nan 8.370 nan 0.000 0.446 3877 D N 2.478 122.728 120.400 -0.250 0.000 2.133 3877 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 3877 D C 1.757 177.560 176.300 -0.828 0.000 0.997 3877 D CA 0.689 54.434 54.000 -0.424 0.000 0.840 3877 D CB -0.104 40.505 40.800 -0.319 0.000 0.947 3877 D HN 0.339 nan 8.370 nan 0.000 0.452 3878 L N 0.807 121.648 121.223 -0.637 0.000 2.042 3878 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 3878 L C 2.134 178.533 176.870 -0.785 0.000 1.076 3878 L CA 1.753 56.166 54.840 -0.713 0.000 0.749 3878 L CB -0.753 41.040 42.059 -0.443 0.000 0.893 3878 L HN -0.010 nan 8.230 nan 0.000 0.432 3879 A N -1.253 121.281 122.820 -0.477 0.000 1.902 3879 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 3879 A C 2.162 179.628 177.584 -0.195 0.000 1.181 3879 A CA 1.797 53.667 52.037 -0.278 0.000 0.623 3879 A CB -0.554 18.362 19.000 -0.140 0.000 0.818 3879 A HN 0.656 nan 8.150 nan 0.000 0.443 3880 Q N -1.000 118.660 119.800 -0.233 0.000 2.096 3880 Q HA -0.227 4.113 4.340 -0.000 0.000 0.204 3880 Q C 1.913 177.911 176.000 -0.003 0.000 0.982 3880 Q CA 1.836 57.567 55.803 -0.119 0.000 0.850 3880 Q CB -0.412 28.250 28.738 -0.126 0.000 0.901 3880 Q HN 0.897 nan 8.270 nan 0.000 0.422 3881 H N -1.104 117.888 119.070 -0.130 0.000 2.321 3881 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 3881 H C 1.722 177.102 175.328 0.087 0.000 1.087 3881 H CA 1.103 57.109 56.048 -0.069 0.000 1.319 3881 H CB 0.067 29.741 29.762 -0.146 0.000 1.379 3881 H HN 0.252 nan 8.280 nan 0.000 0.501 3882 Y N 0.775 121.144 120.300 0.114 0.000 2.200 3882 Y HA -0.137 4.413 4.550 0.000 0.000 0.290 3882 Y C 2.549 178.468 175.900 0.032 0.000 1.137 3882 Y CA 0.489 58.623 58.100 0.056 0.000 1.163 3882 Y CB -0.884 37.596 38.460 0.034 0.000 0.988 3882 Y HN 0.140 nan 8.280 nan 0.000 0.518 3883 L N -0.523 120.805 121.223 0.174 0.000 2.042 3883 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 3883 L C 2.663 179.573 176.870 0.066 0.000 1.076 3883 L CA 1.389 56.279 54.840 0.084 0.000 0.749 3883 L CB -0.873 41.204 42.059 0.030 0.000 0.893 3883 L HN 0.194 nan 8.230 nan 0.000 0.432 3884 A N -0.044 122.822 122.820 0.078 0.000 1.898 3884 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 3884 A C 2.310 179.932 177.584 0.062 0.000 1.181 3884 A CA 1.625 53.699 52.037 0.061 0.000 0.620 3884 A CB -0.348 18.694 19.000 0.070 0.000 0.819 3884 A HN 0.312 nan 8.150 nan 0.000 0.442 3885 K N -0.289 120.167 120.400 0.093 0.000 2.209 3885 K HA -0.088 4.232 4.320 -0.000 0.000 0.204 3885 K C 1.209 177.838 176.600 0.047 0.000 1.048 3885 K CA 1.176 57.506 56.287 0.072 0.000 0.940 3885 K CB -0.009 32.551 32.500 0.100 0.000 0.729 3885 K HN 0.400 nan 8.250 nan 0.000 0.451 3886 E N -0.306 119.926 120.200 0.053 0.000 2.489 3886 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 3886 E C 0.848 177.462 176.600 0.024 0.000 1.057 3886 E CA 0.421 56.841 56.400 0.032 0.000 0.866 3886 E CB 0.480 30.201 29.700 0.036 0.000 0.916 3886 E HN 0.456 nan 8.360 nan 0.000 0.500 3887 G N 2.125 110.940 108.800 0.025 0.000 2.225 3887 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.267 3887 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.267 3887 G C 0.306 175.212 174.900 0.011 0.000 1.024 3887 G CA 0.301 45.411 45.100 0.016 0.000 0.784 3887 G HN 0.286 nan 8.290 nan 0.000 0.507 3888 I N 0.243 120.820 120.570 0.012 0.000 2.395 3888 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 3888 I C 0.781 176.885 176.117 -0.020 0.000 1.023 3888 I CA -0.870 60.429 61.300 -0.001 0.000 1.350 3888 I CB 1.556 39.559 38.000 0.004 0.000 1.409 3888 I HN -0.125 nan 8.210 nan 0.000 0.507 3889 V N 5.991 125.879 119.914 -0.043 0.000 2.509 3889 V HA 0.668 4.788 4.120 -0.000 0.000 0.284 3889 V C 0.348 176.351 176.094 -0.152 0.000 1.047 3889 V CA -0.279 61.973 62.300 -0.081 0.000 0.952 3889 V CB 1.270 33.046 31.823 -0.077 0.000 0.988 3889 V HN 0.873 nan 8.190 nan 0.000 0.469 3890 A N 4.008 126.727 122.820 -0.168 0.000 2.454 3890 A HA 0.986 5.306 4.320 -0.000 0.000 0.302 3890 A C -0.546 176.883 177.584 -0.260 0.000 1.079 3890 A CA -0.357 51.547 52.037 -0.222 0.000 0.731 3890 A CB 1.950 20.875 19.000 -0.124 0.000 1.299 3890 A HN 1.354 nan 8.150 nan 0.000 0.413 3891 A N 1.478 124.097 122.820 -0.336 0.000 2.393 3891 A HA 0.796 5.116 4.320 -0.000 0.000 0.306 3891 A C -0.122 177.413 177.584 -0.082 0.000 1.050 3891 A CA -0.647 51.259 52.037 -0.218 0.000 0.724 3891 A CB 1.010 19.826 19.000 -0.306 0.000 1.248 3891 A HN 1.258 nan 8.150 nan 0.000 0.424 3892 R N 1.477 121.958 120.500 -0.031 0.000 2.875 3892 R HA 0.735 5.075 4.340 -0.000 0.000 0.251 3892 R C -0.473 175.841 176.300 0.022 0.000 1.123 3892 R CA -0.808 55.289 56.100 -0.004 0.000 1.064 3892 R CB 0.493 30.779 30.300 -0.022 0.000 1.205 3892 R HN 0.490 nan 8.270 nan 0.000 0.503 3893 R N -0.552 119.959 120.500 0.019 0.000 3.405 3893 R HA -0.109 4.231 4.340 -0.000 0.000 0.258 3893 R C -0.670 175.651 176.300 0.035 0.000 1.030 3893 R CA 0.564 56.676 56.100 0.020 0.000 0.691 3893 R CB -2.547 27.759 30.300 0.010 0.000 1.093 3893 R HN 0.509 nan 8.270 nan 0.000 0.448 3894 V N 1.046 120.993 119.914 0.055 0.000 2.686 3894 V HA 0.085 4.205 4.120 -0.000 0.000 0.295 3894 V C 1.470 177.585 176.094 0.035 0.000 1.055 3894 V CA -0.309 62.031 62.300 0.066 0.000 1.050 3894 V CB 1.395 33.286 31.823 0.112 0.000 0.984 3894 V HN 0.175 nan 8.190 nan 0.000 0.482 3895 K N 3.367 123.780 120.400 0.022 0.000 2.414 3895 K HA 0.023 4.343 4.320 -0.000 0.000 0.272 3895 K C 1.346 177.949 176.600 0.004 0.000 0.993 3895 K CA -0.241 56.051 56.287 0.009 0.000 0.964 3895 K CB 0.365 32.865 32.500 0.001 0.000 0.925 3895 K HN 0.620 nan 8.250 nan 0.000 0.487 3896 K N 1.851 122.253 120.400 0.003 0.000 2.057 3896 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 3896 K C 1.531 178.126 176.600 -0.008 0.000 1.049 3896 K CA 1.811 58.098 56.287 -0.000 0.000 0.931 3896 K CB -0.131 32.370 32.500 0.001 0.000 0.714 3896 K HN 0.600 nan 8.250 nan 0.000 0.440 3897 S N 1.516 117.210 115.700 -0.010 0.000 2.399 3897 S HA -0.115 4.355 4.470 -0.000 0.000 0.231 3897 S C 1.340 175.925 174.600 -0.026 0.000 1.022 3897 S CA 1.346 59.536 58.200 -0.016 0.000 0.983 3897 S CB -0.185 63.006 63.200 -0.014 0.000 0.803 3897 S HN 0.343 nan 8.310 nan 0.000 0.480 3898 D N 1.118 121.502 120.400 -0.027 0.000 2.144 3898 D HA 0.013 4.653 4.640 -0.000 0.000 0.200 3898 D C 1.865 178.125 176.300 -0.066 0.000 0.978 3898 D CA 0.724 54.697 54.000 -0.046 0.000 0.833 3898 D CB -0.188 40.591 40.800 -0.035 0.000 0.961 3898 D HN 0.242 nan 8.370 nan 0.000 0.470 3899 M N 0.541 120.116 119.600 -0.042 0.000 2.149 3899 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 3899 M C 1.878 178.147 176.300 -0.052 0.000 1.064 3899 M CA 1.299 56.573 55.300 -0.042 0.000 1.102 3899 M CB -0.814 31.782 32.600 -0.008 0.000 1.369 3899 M HN 0.122 nan 8.290 nan 0.000 0.408 3900 E N -0.200 119.976 120.200 -0.040 0.000 2.107 3900 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 3900 E C 2.069 178.640 176.600 -0.048 0.000 0.982 3900 E CA 0.787 57.165 56.400 -0.036 0.000 0.809 3900 E CB 0.015 29.700 29.700 -0.025 0.000 0.756 3900 E HN 0.492 nan 8.360 nan 0.000 0.459 3901 K N 0.574 120.940 120.400 -0.058 0.000 2.097 3901 K HA -0.070 4.250 4.320 -0.000 0.000 0.205 3901 K C 2.146 178.690 176.600 -0.095 0.000 1.050 3901 K CA 0.707 56.954 56.287 -0.066 0.000 0.938 3901 K CB -0.010 32.451 32.500 -0.065 0.000 0.718 3901 K HN 0.112 nan 8.250 nan 0.000 0.442 3902 L N 0.324 121.467 121.223 -0.134 0.000 2.093 3902 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 3902 L C 2.525 179.309 176.870 -0.142 0.000 1.085 3902 L CA 0.922 55.640 54.840 -0.203 0.000 0.755 3902 L CB -0.478 41.382 42.059 -0.333 0.000 0.904 3902 L HN 0.194 nan 8.230 nan 0.000 0.435 3903 A N 0.221 122.985 122.820 -0.093 0.000 1.873 3903 A HA -0.205 4.115 4.320 -0.000 0.000 0.215 3903 A C 2.319 179.878 177.584 -0.042 0.000 1.186 3903 A CA 1.562 53.566 52.037 -0.054 0.000 0.616 3903 A CB -0.303 18.677 19.000 -0.035 0.000 0.823 3903 A HN 0.280 nan 8.150 nan 0.000 0.442 3904 K N -0.251 120.124 120.400 -0.042 0.000 2.009 3904 K HA -0.096 4.224 4.320 -0.000 0.000 0.210 3904 K C 2.388 178.970 176.600 -0.030 0.000 1.049 3904 K CA 1.281 57.550 56.287 -0.030 0.000 0.929 3904 K CB -0.371 32.111 32.500 -0.029 0.000 0.714 3904 K HN 0.435 nan 8.250 nan 0.000 0.440 3905 A N 0.890 123.682 122.820 -0.047 0.000 1.832 3905 A HA -0.142 4.178 4.320 -0.000 0.000 0.214 3905 A C 2.292 179.854 177.584 -0.036 0.000 1.200 3905 A CA 2.135 54.145 52.037 -0.044 0.000 0.610 3905 A CB -1.094 17.866 19.000 -0.067 0.000 0.842 3905 A HN 0.268 nan 8.150 nan 0.000 0.444 3906 T N -0.871 113.650 114.554 -0.055 0.000 2.951 3906 T HA 0.283 4.633 4.350 -0.000 0.000 0.268 3906 T C 1.321 176.014 174.700 -0.012 0.000 1.073 3906 T CA 1.467 63.545 62.100 -0.037 0.000 1.134 3906 T CB -0.356 68.477 68.868 -0.059 0.000 0.884 3906 T HN 1.638 nan 8.240 nan 0.000 0.479 3907 G N 1.419 110.210 108.800 -0.015 0.000 2.182 3907 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.248 3907 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.248 3907 G C 0.045 174.947 174.900 0.003 0.000 1.042 3907 G CA -0.132 44.967 45.100 -0.001 0.000 0.775 3907 G HN 0.877 nan 8.290 nan 0.000 0.501 3908 A N -0.424 122.394 122.820 -0.004 0.000 2.303 3908 A HA 0.757 5.077 4.320 -0.000 0.000 0.317 3908 A C 0.186 177.773 177.584 0.004 0.000 1.149 3908 A CA -0.232 51.809 52.037 0.008 0.000 0.822 3908 A CB 0.903 19.912 19.000 0.015 0.000 1.131 3908 A HN 0.719 nan 8.150 nan 0.000 0.493 3909 N N 1.510 120.217 118.700 0.012 0.000 2.425 3909 N HA 0.357 5.097 4.740 -0.000 0.000 0.268 3909 N C -0.806 174.713 175.510 0.014 0.000 0.991 3909 N CA -0.279 52.777 53.050 0.010 0.000 0.931 3909 N CB 1.168 39.662 38.487 0.011 0.000 1.130 3909 N HN 0.289 nan 8.380 nan 0.000 0.493 3910 V N 4.880 124.800 119.914 0.010 0.000 2.485 3910 V HA 0.133 4.253 4.120 -0.000 0.000 0.287 3910 V C 0.456 176.559 176.094 0.015 0.000 1.022 3910 V CA 0.006 62.314 62.300 0.014 0.000 1.067 3910 V CB -0.129 31.699 31.823 0.008 0.000 0.967 3910 V HN 0.529 nan 8.190 nan 0.000 0.479 3911 I N 4.792 125.374 120.570 0.019 0.000 2.530 3911 I HA 0.334 4.504 4.170 -0.000 0.000 0.297 3911 I C 1.279 177.406 176.117 0.017 0.000 1.011 3911 I CA -0.230 61.080 61.300 0.017 0.000 1.107 3911 I CB 2.023 40.034 38.000 0.019 0.000 1.285 3911 I HN 0.773 nan 8.210 nan 0.000 0.436 3912 T N 1.936 116.499 114.554 0.014 0.000 2.755 3912 T HA 0.036 4.386 4.350 -0.000 0.000 0.251 3912 T C 0.830 175.538 174.700 0.014 0.000 1.044 3912 T CA 0.415 62.523 62.100 0.013 0.000 1.154 3912 T CB -0.098 68.776 68.868 0.011 0.000 0.866 3912 T HN 0.441 nan 8.240 nan 0.000 0.416 3913 N N 0.840 119.548 118.700 0.013 0.000 2.438 3913 N HA 0.259 4.999 4.740 -0.000 0.000 0.282 3913 N C 0.665 176.184 175.510 0.015 0.000 1.037 3913 N CA -0.720 52.338 53.050 0.014 0.000 0.942 3913 N CB 1.370 39.864 38.487 0.012 0.000 1.136 3913 N HN 0.174 nan 8.380 nan 0.000 0.481 3914 I N 3.675 124.254 120.570 0.016 0.000 2.335 3914 I HA -0.215 3.955 4.170 -0.000 0.000 0.251 3914 I C 1.817 177.944 176.117 0.015 0.000 1.129 3914 I CA 1.460 62.770 61.300 0.017 0.000 1.402 3914 I CB 0.051 38.062 38.000 0.018 0.000 1.069 3914 I HN 0.489 nan 8.210 nan 0.000 0.424 3915 K N 0.348 120.756 120.400 0.013 0.000 2.152 3915 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 3915 K C 1.629 178.236 176.600 0.011 0.000 1.048 3915 K CA 1.526 57.821 56.287 0.012 0.000 0.933 3915 K CB -0.573 31.934 32.500 0.011 0.000 0.721 3915 K HN 0.426 nan 8.250 nan 0.000 0.447 3916 D N 0.375 120.782 120.400 0.012 0.000 2.289 3916 D HA -0.042 4.598 4.640 -0.000 0.000 0.207 3916 D C 0.595 176.902 176.300 0.013 0.000 0.966 3916 D CA -0.059 53.948 54.000 0.011 0.000 0.868 3916 D CB -0.163 40.643 40.800 0.011 0.000 0.943 3916 D HN -0.021 nan 8.370 nan 0.000 0.514 3917 L N 1.337 122.569 121.223 0.015 0.000 2.559 3917 L HA 0.030 4.370 4.340 -0.000 0.000 0.282 3917 L C 0.377 177.256 176.870 0.015 0.000 1.232 3917 L CA 0.399 55.249 54.840 0.017 0.000 0.885 3917 L CB 0.274 42.345 42.059 0.019 0.000 1.131 3917 L HN -0.002 nan 8.230 nan 0.000 0.498 3918 S N 2.821 118.530 115.700 0.015 0.000 2.651 3918 S HA 0.760 5.230 4.470 -0.000 0.000 0.279 3918 S C 0.608 175.217 174.600 0.016 0.000 1.148 3918 S CA -0.389 57.819 58.200 0.014 0.000 0.837 3918 S CB 1.131 64.339 63.200 0.012 0.000 1.138 3918 S HN 0.838 nan 8.310 nan 0.000 0.478 3919 A N 0.597 123.426 122.820 0.015 0.000 1.978 3919 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 3919 A C 1.985 179.579 177.584 0.017 0.000 1.170 3919 A CA 1.414 53.461 52.037 0.016 0.000 0.636 3919 A CB -0.907 18.102 19.000 0.014 0.000 0.810 3919 A HN 0.730 nan 8.150 nan 0.000 0.448 3920 Q N 0.155 119.964 119.800 0.015 0.000 2.364 3920 Q HA -0.123 4.217 4.340 -0.000 0.000 0.207 3920 Q C 0.614 176.624 176.000 0.016 0.000 0.970 3920 Q CA 1.189 57.001 55.803 0.015 0.000 0.888 3920 Q CB -0.269 28.477 28.738 0.012 0.000 0.951 3920 Q HN 0.683 nan 8.270 nan 0.000 0.469 3921 D N -0.261 120.149 120.400 0.017 0.000 2.354 3921 D HA 0.065 4.705 4.640 -0.000 0.000 0.209 3921 D C 0.592 176.906 176.300 0.023 0.000 1.015 3921 D CA 0.037 54.048 54.000 0.018 0.000 0.867 3921 D CB 0.574 41.385 40.800 0.019 0.000 0.933 3921 D HN 0.200 nan 8.370 nan 0.000 0.520 3922 L N 0.906 122.143 121.223 0.025 0.000 2.461 3922 L HA 0.286 4.626 4.340 -0.000 0.000 0.272 3922 L C 1.215 178.103 176.870 0.028 0.000 1.197 3922 L CA -0.170 54.688 54.840 0.030 0.000 0.836 3922 L CB 0.836 42.913 42.059 0.030 0.000 1.105 3922 L HN -0.092 nan 8.230 nan 0.000 0.477 3923 G N 0.998 109.818 108.800 0.034 0.000 2.509 3923 G HA2 0.483 4.443 3.960 -0.000 0.000 0.328 3923 G HA3 0.483 4.443 3.960 -0.000 0.000 0.328 3923 G C -1.359 173.561 174.900 0.033 0.000 1.194 3923 G CA -0.482 44.636 45.100 0.029 0.000 0.967 3923 G HN 0.536 nan 8.290 nan 0.000 0.488 3924 D N -0.187 120.230 120.400 0.028 0.000 2.498 3924 D HA 0.597 5.237 4.640 -0.000 0.000 0.247 3924 D C -0.459 175.856 176.300 0.026 0.000 1.070 3924 D CA -0.026 53.990 54.000 0.027 0.000 0.842 3924 D CB 2.152 42.965 40.800 0.020 0.000 1.361 3924 D HN 0.573 nan 8.370 nan 0.000 0.484 3925 A N 0.531 123.370 122.820 0.032 0.000 2.398 3925 A HA 0.609 4.929 4.320 -0.000 0.000 0.301 3925 A C 0.948 178.550 177.584 0.029 0.000 1.041 3925 A CA -0.540 51.517 52.037 0.034 0.000 0.711 3925 A CB 1.647 20.679 19.000 0.054 0.000 1.240 3925 A HN 0.521 nan 8.150 nan 0.000 0.420 3926 G N 0.471 109.282 108.800 0.020 0.000 2.443 3926 G HA2 0.313 4.273 3.960 -0.000 0.000 0.219 3926 G HA3 0.313 4.273 3.960 -0.000 0.000 0.219 3926 G C 0.223 175.137 174.900 0.023 0.000 1.131 3926 G CA 1.531 46.639 45.100 0.013 0.000 0.775 3926 G HN 1.110 nan 8.290 nan 0.000 0.547 3927 L N -0.315 120.931 121.223 0.039 0.000 2.549 3927 L HA 0.596 4.936 4.340 -0.000 0.000 0.259 3927 L C -1.530 175.386 176.870 0.077 0.000 0.934 3927 L CA -0.734 54.135 54.840 0.048 0.000 0.865 3927 L CB 2.450 44.532 42.059 0.038 0.000 1.352 3927 L HN -0.160 nan 8.230 nan 0.000 0.410 3928 V N 4.133 124.093 119.914 0.078 0.000 2.443 3928 V HA 0.694 4.814 4.120 -0.000 0.000 0.293 3928 V C -0.614 175.537 176.094 0.094 0.000 1.021 3928 V CA -0.420 61.942 62.300 0.104 0.000 0.848 3928 V CB 1.534 33.418 31.823 0.101 0.000 0.998 3928 V HN 0.820 nan 8.190 nan 0.000 0.424 3929 E N 3.115 123.393 120.200 0.130 0.000 2.343 3929 E HA 0.407 4.757 4.350 -0.000 0.000 0.278 3929 E C -1.138 175.559 176.600 0.161 0.000 0.910 3929 E CA -0.685 55.777 56.400 0.103 0.000 0.757 3929 E CB 2.356 32.085 29.700 0.048 0.000 1.218 3929 E HN 0.743 nan 8.360 nan 0.000 0.435 3930 E N 3.941 124.206 120.200 0.109 0.000 2.152 3930 E HA 0.240 4.590 4.350 -0.000 0.000 0.285 3930 E C -0.883 175.776 176.600 0.099 0.000 1.043 3930 E CA -0.233 56.241 56.400 0.124 0.000 0.839 3930 E CB 0.715 30.460 29.700 0.075 0.000 1.069 3930 E HN 0.329 nan 8.360 nan 0.000 0.399 3931 R N 3.448 124.051 120.500 0.172 0.000 2.740 3931 R HA 0.356 4.696 4.340 -0.000 0.000 0.282 3931 R C -1.018 175.365 176.300 0.138 0.000 0.969 3931 R CA -1.108 55.038 56.100 0.077 0.000 0.918 3931 R CB 1.537 31.740 30.300 -0.162 0.000 1.175 3931 R HN 0.256 nan 8.270 nan 0.000 0.464 3932 K N 2.144 122.584 120.400 0.067 0.000 2.227 3932 K HA 0.389 4.709 4.320 -0.000 0.000 0.280 3932 K C -0.526 176.121 176.600 0.077 0.000 1.041 3932 K CA -0.119 56.211 56.287 0.071 0.000 0.905 3932 K CB 0.834 33.357 32.500 0.039 0.000 1.068 3932 K HN 0.311 nan 8.250 nan 0.000 0.470 3933 I N 2.283 122.915 120.570 0.103 0.000 2.439 3933 I HA 0.144 4.314 4.170 -0.000 0.000 0.283 3933 I C 0.195 176.351 176.117 0.065 0.000 1.023 3933 I CA -0.361 60.998 61.300 0.098 0.000 1.100 3933 I CB 1.181 39.276 38.000 0.158 0.000 1.238 3933 I HN 0.723 nan 8.210 nan 0.000 0.445 3934 S N 4.577 120.305 115.700 0.046 0.000 3.682 3934 S HA -0.218 4.252 4.470 -0.000 0.000 0.354 3934 S C 1.406 176.025 174.600 0.031 0.000 1.034 3934 S CA 1.622 59.842 58.200 0.034 0.000 1.084 3934 S CB -1.038 62.181 63.200 0.033 0.000 0.903 3934 S HN 1.580 nan 8.310 nan 0.000 0.470 3935 G N 0.132 108.951 108.800 0.031 0.000 2.550 3935 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.233 3935 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.233 3935 G C -0.204 174.717 174.900 0.034 0.000 1.170 3935 G CA 0.367 45.484 45.100 0.028 0.000 0.693 3935 G HN 0.723 nan 8.290 nan 0.000 0.512 3936 D N 1.852 122.275 120.400 0.038 0.000 2.443 3936 D HA 0.459 5.099 4.640 -0.000 0.000 0.239 3936 D C 1.022 177.356 176.300 0.056 0.000 1.136 3936 D CA 0.873 54.897 54.000 0.040 0.000 0.879 3936 D CB 1.261 42.082 40.800 0.034 0.000 1.195 3936 D HN 0.709 nan 8.370 nan 0.000 0.443 3937 S N 1.942 117.673 115.700 0.051 0.000 2.523 3937 S HA 0.616 5.086 4.470 -0.000 0.000 0.275 3937 S C 0.023 174.664 174.600 0.069 0.000 1.281 3937 S CA -0.717 57.523 58.200 0.067 0.000 1.050 3937 S CB 0.768 63.999 63.200 0.051 0.000 0.937 3937 S HN 0.384 nan 8.310 nan 0.000 0.492 3938 M N 2.708 122.374 119.600 0.110 0.000 2.575 3938 M HA 0.502 4.982 4.480 -0.000 0.000 0.284 3938 M C -1.301 175.071 176.300 0.119 0.000 1.253 3938 M CA -0.869 54.470 55.300 0.065 0.000 0.861 3938 M CB 1.968 34.570 32.600 0.003 0.000 1.733 3938 M HN 0.432 nan 8.290 nan 0.000 0.462 3939 I N 1.675 122.254 120.570 0.014 0.000 2.412 3939 I HA 0.459 4.629 4.170 -0.000 0.000 0.296 3939 I C -1.105 174.975 176.117 -0.061 0.000 0.987 3939 I CA -0.365 60.988 61.300 0.087 0.000 1.180 3939 I CB 0.990 39.050 38.000 0.098 0.000 1.340 3939 I HN 0.530 nan 8.210 nan 0.000 0.455 3940 F N 4.769 124.747 119.950 0.046 0.000 2.426 3940 F HA 0.418 4.945 4.527 0.000 0.000 0.348 3940 F C 0.215 176.040 175.800 0.042 0.000 1.124 3940 F CA -0.767 57.255 58.000 0.036 0.000 1.008 3940 F CB 1.792 40.806 39.000 0.024 0.000 1.139 3940 F HN -0.006 nan 8.300 nan 0.000 0.452 3941 V N 3.993 123.995 119.914 0.147 0.000 2.257 3941 V HA 0.340 4.460 4.120 -0.000 0.000 0.269 3941 V C -0.485 175.668 176.094 0.098 0.000 1.040 3941 V CA -0.577 61.787 62.300 0.107 0.000 0.813 3941 V CB 0.426 32.281 31.823 0.054 0.000 1.065 3941 V HN 0.795 nan 8.190 nan 0.000 0.457 3942 E N 3.024 123.291 120.200 0.111 0.000 2.369 3942 E HA 0.716 5.066 4.350 -0.000 0.000 0.270 3942 E C -0.652 175.977 176.600 0.049 0.000 0.909 3942 E CA -0.839 55.615 56.400 0.089 0.000 0.775 3942 E CB 1.973 31.746 29.700 0.122 0.000 1.270 3942 E HN 0.198 nan 8.360 nan 0.000 0.445 3943 E N -0.763 119.453 120.200 0.027 0.000 3.169 3943 E HA -0.129 4.221 4.350 -0.000 0.000 0.305 3943 E C -0.670 175.921 176.600 -0.014 0.000 0.912 3943 E CA 0.468 56.869 56.400 0.001 0.000 1.029 3943 E CB -2.464 27.238 29.700 0.003 0.000 1.514 3943 E HN 0.632 nan 8.360 nan 0.000 0.412 3944 C N 1.263 120.557 119.300 -0.009 0.000 2.679 3944 C HA 0.048 4.508 4.460 -0.000 0.000 0.417 3944 C C 2.292 177.239 174.990 -0.071 0.000 1.302 3944 C CA 0.098 59.103 59.018 -0.021 0.000 1.973 3944 C CB 0.280 28.017 27.740 -0.005 0.000 2.715 3944 C HN 0.355 nan 8.230 nan 0.000 0.628 3945 K N 1.155 121.499 120.400 -0.093 0.000 1.969 3945 K HA -0.114 4.206 4.320 -0.000 0.000 0.223 3945 K C 0.444 176.790 176.600 -0.425 0.000 1.048 3945 K CA 1.413 57.559 56.287 -0.235 0.000 0.983 3945 K CB -0.123 32.297 32.500 -0.134 0.000 0.738 3945 K HN 0.696 nan 8.250 nan 0.000 0.446 3946 H N 0.805 119.880 119.070 0.008 0.000 2.423 3946 H HA 0.252 4.808 4.556 -0.000 0.000 0.237 3946 H C -2.368 172.963 175.328 0.004 0.000 1.391 3946 H CA -1.966 54.086 56.048 0.006 0.000 1.453 3946 H CB 0.428 30.193 29.762 0.005 0.000 1.484 3946 H HN 0.256 nan 8.280 nan 0.000 0.505 3947 P HA 0.055 nan 4.420 nan 0.000 0.268 3947 P C 0.691 178.018 177.300 0.046 0.000 1.205 3947 P CA -0.428 62.697 63.100 0.042 0.000 0.771 3947 P CB 1.743 33.456 31.700 0.020 0.000 0.858 3948 K N 0.460 120.877 120.400 0.029 0.000 2.358 3948 K HA 0.381 4.701 4.320 -0.000 0.000 0.197 3948 K C 0.443 177.048 176.600 0.007 0.000 1.025 3948 K CA -0.018 56.281 56.287 0.019 0.000 1.104 3948 K CB 0.614 33.122 32.500 0.014 0.000 0.855 3948 K HN 0.558 nan 8.250 nan 0.000 0.531 3949 A N 1.090 123.912 122.820 0.003 0.000 2.408 3949 A HA 0.563 4.883 4.320 -0.000 0.000 0.295 3949 A C -0.462 177.119 177.584 -0.004 0.000 1.040 3949 A CA -0.733 51.301 52.037 -0.006 0.000 0.707 3949 A CB 1.290 20.278 19.000 -0.019 0.000 1.235 3949 A HN -0.052 nan 8.150 nan 0.000 0.418 3950 V N -0.461 119.451 119.914 -0.002 0.000 2.960 3950 V HA 0.972 5.092 4.120 -0.000 0.000 0.315 3950 V C -0.295 175.797 176.094 -0.004 0.000 1.087 3950 V CA -0.579 61.723 62.300 0.002 0.000 0.982 3950 V CB 1.665 33.494 31.823 0.011 0.000 1.039 3950 V HN 0.805 nan 8.190 nan 0.000 0.437 3951 T N 3.731 118.285 114.554 -0.000 0.000 2.863 3951 T HA 0.568 4.918 4.350 -0.000 0.000 0.285 3951 T C -0.530 174.177 174.700 0.012 0.000 1.009 3951 T CA -0.288 61.808 62.100 -0.006 0.000 0.989 3951 T CB 1.552 70.401 68.868 -0.031 0.000 1.004 3951 T HN 0.920 nan 8.240 nan 0.000 0.455 3952 M N 4.212 123.818 119.600 0.010 0.000 2.060 3952 M HA 0.438 4.918 4.480 -0.000 0.000 0.342 3952 M C -1.114 175.200 176.300 0.023 0.000 1.031 3952 M CA -1.040 54.272 55.300 0.021 0.000 0.981 3952 M CB 0.238 32.847 32.600 0.016 0.000 1.376 3952 M HN 0.474 nan 8.290 nan 0.000 0.397 3953 L N 6.692 127.941 121.223 0.043 0.000 2.433 3953 L HA 0.400 4.740 4.340 -0.000 0.000 0.275 3953 L C -1.123 175.775 176.870 0.047 0.000 1.128 3953 L CA 0.617 55.490 54.840 0.055 0.000 0.875 3953 L CB 0.188 42.317 42.059 0.117 0.000 1.171 3953 L HN 0.601 nan 8.230 nan 0.000 0.463 3954 I N 6.093 126.684 120.570 0.035 0.000 2.359 3954 I HA 0.489 4.659 4.170 -0.000 0.000 0.294 3954 I C -0.038 176.098 176.117 0.031 0.000 0.987 3954 I CA -0.761 60.555 61.300 0.027 0.000 1.225 3954 I CB 0.898 38.910 38.000 0.019 0.000 1.366 3954 I HN 0.532 nan 8.210 nan 0.000 0.466 3955 R N 4.121 124.637 120.500 0.027 0.000 2.832 3955 R HA 0.890 5.230 4.340 -0.000 0.000 0.271 3955 R C -0.361 175.948 176.300 0.014 0.000 0.996 3955 R CA -1.081 55.034 56.100 0.024 0.000 0.977 3955 R CB 1.970 32.286 30.300 0.026 0.000 1.168 3955 R HN 0.877 nan 8.270 nan 0.000 0.482 3956 G N -0.937 107.871 108.800 0.013 0.000 2.519 3956 G HA2 0.155 4.115 3.960 -0.000 0.000 0.292 3956 G HA3 0.155 4.115 3.960 -0.000 0.000 0.292 3956 G C 0.213 175.118 174.900 0.009 0.000 1.507 3956 G CA -0.232 44.872 45.100 0.006 0.000 0.806 3956 G HN 0.444 nan 8.290 nan 0.000 0.523 3957 T N -2.235 112.321 114.554 0.004 0.000 3.155 3957 T HA 0.300 4.650 4.350 -0.000 0.000 0.264 3957 T C 0.836 175.543 174.700 0.013 0.000 1.160 3957 T CA 1.462 63.566 62.100 0.006 0.000 1.075 3957 T CB -0.091 68.778 68.868 0.001 0.000 0.921 3957 T HN 0.690 nan 8.240 nan 0.000 0.533 3958 T N 0.227 114.792 114.554 0.017 0.000 2.885 3958 T HA 0.340 4.690 4.350 -0.000 0.000 0.322 3958 T C 0.296 175.022 174.700 0.043 0.000 1.387 3958 T CA -0.657 61.463 62.100 0.032 0.000 1.041 3958 T CB 2.390 71.282 68.868 0.040 0.000 1.287 3958 T HN 0.004 nan 8.240 nan 0.000 0.491 3959 E N 0.907 121.141 120.200 0.056 0.000 2.038 3959 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 3959 E C 1.659 178.325 176.600 0.110 0.000 1.000 3959 E CA 2.031 58.469 56.400 0.064 0.000 0.803 3959 E CB -0.205 29.524 29.700 0.050 0.000 0.750 3959 E HN 0.756 nan 8.360 nan 0.000 0.448 3960 H N -0.957 118.114 119.070 0.001 0.000 2.422 3960 H HA -0.087 4.469 4.556 0.000 0.000 0.298 3960 H C 1.825 177.153 175.328 0.000 0.000 1.098 3960 H CA 1.145 57.194 56.048 0.001 0.000 1.315 3960 H CB 0.339 30.100 29.762 -0.000 0.000 1.382 3960 H HN 0.115 nan 8.280 nan 0.000 0.523 3961 V N 1.784 121.697 119.914 -0.001 0.000 2.283 3961 V HA -0.255 3.865 4.120 -0.000 0.000 0.243 3961 V C 2.625 178.698 176.094 -0.034 0.000 1.039 3961 V CA 1.804 64.057 62.300 -0.079 0.000 1.016 3961 V CB -0.425 31.370 31.823 -0.047 0.000 0.650 3961 V HN 0.553 nan 8.190 nan 0.000 0.449 3962 I N -1.154 119.419 120.570 0.005 0.000 2.493 3962 I HA -0.172 3.998 4.170 -0.000 0.000 0.254 3962 I C 2.283 178.413 176.117 0.021 0.000 1.160 3962 I CA 1.951 63.259 61.300 0.012 0.000 1.445 3962 I CB -0.554 37.458 38.000 0.021 0.000 1.086 3962 I HN 0.389 nan 8.210 nan 0.000 0.433 3963 E N 1.502 121.728 120.200 0.043 0.000 2.072 3963 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 3963 E C 2.034 178.661 176.600 0.045 0.000 0.985 3963 E CA 1.078 57.514 56.400 0.061 0.000 0.801 3963 E CB 0.098 29.868 29.700 0.117 0.000 0.750 3963 E HN 0.490 nan 8.360 nan 0.000 0.452 3964 E N 0.213 120.424 120.200 0.019 0.000 2.152 3964 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 3964 E C 2.256 178.847 176.600 -0.014 0.000 0.983 3964 E CA 0.651 57.043 56.400 -0.013 0.000 0.818 3964 E CB 0.012 29.656 29.700 -0.094 0.000 0.758 3964 E HN 0.205 nan 8.360 nan 0.000 0.467 3965 V N 1.643 121.547 119.914 -0.016 0.000 2.407 3965 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 3965 V C 2.446 178.542 176.094 0.002 0.000 1.055 3965 V CA 1.704 63.999 62.300 -0.009 0.000 1.049 3965 V CB -0.799 31.019 31.823 -0.008 0.000 0.662 3965 V HN 0.226 nan 8.190 nan 0.000 0.455 3966 A N 0.108 122.933 122.820 0.008 0.000 1.877 3966 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 3966 A C 2.417 180.009 177.584 0.012 0.000 1.186 3966 A CA 2.049 54.093 52.037 0.011 0.000 0.620 3966 A CB -0.578 18.431 19.000 0.015 0.000 0.822 3966 A HN 0.479 nan 8.150 nan 0.000 0.443 3967 R N -0.359 120.150 120.500 0.015 0.000 2.091 3967 R HA -0.124 4.216 4.340 -0.000 0.000 0.238 3967 R C 2.278 178.587 176.300 0.014 0.000 1.136 3967 R CA 1.477 57.587 56.100 0.016 0.000 0.959 3967 R CB -0.419 29.894 30.300 0.022 0.000 0.856 3967 R HN 0.442 nan 8.270 nan 0.000 0.437 3968 A N 0.166 122.992 122.820 0.010 0.000 1.908 3968 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 3968 A C 2.227 179.818 177.584 0.012 0.000 1.181 3968 A CA 1.671 53.714 52.037 0.011 0.000 0.627 3968 A CB -0.448 18.555 19.000 0.004 0.000 0.818 3968 A HN 0.243 nan 8.150 nan 0.000 0.445 3969 V N 0.417 120.337 119.914 0.010 0.000 2.453 3969 V HA -0.182 3.937 4.120 -0.000 0.000 0.247 3969 V C 2.042 178.142 176.094 0.010 0.000 1.048 3969 V CA 2.016 64.322 62.300 0.010 0.000 1.049 3969 V CB -0.792 31.036 31.823 0.009 0.000 0.672 3969 V HN 0.465 nan 8.190 nan 0.000 0.457 3970 D N 0.322 120.728 120.400 0.010 0.000 2.149 3970 D HA -0.170 4.470 4.640 -0.000 0.000 0.198 3970 D C 1.852 178.158 176.300 0.011 0.000 0.990 3970 D CA 1.426 55.432 54.000 0.010 0.000 0.839 3970 D CB -0.219 40.587 40.800 0.010 0.000 0.948 3970 D HN 0.427 nan 8.370 nan 0.000 0.460 3971 D N 0.061 120.469 120.400 0.013 0.000 2.120 3971 D HA -0.007 4.633 4.640 -0.000 0.000 0.202 3971 D C 2.070 178.378 176.300 0.013 0.000 0.972 3971 D CA 1.165 55.174 54.000 0.014 0.000 0.837 3971 D CB -0.363 40.448 40.800 0.018 0.000 0.989 3971 D HN 0.115 nan 8.370 nan 0.000 0.469 3972 A N 0.764 123.593 122.820 0.014 0.000 1.908 3972 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 3972 A C 2.507 180.098 177.584 0.012 0.000 1.181 3972 A CA 1.336 53.382 52.037 0.014 0.000 0.627 3972 A CB -0.845 18.163 19.000 0.014 0.000 0.818 3972 A HN 0.142 nan 8.150 nan 0.000 0.445 3973 V N -0.077 119.843 119.914 0.010 0.000 2.343 3973 V HA -0.199 3.921 4.120 -0.000 0.000 0.247 3973 V C 2.794 178.893 176.094 0.008 0.000 1.051 3973 V CA 1.966 64.272 62.300 0.009 0.000 1.036 3973 V CB -1.432 30.396 31.823 0.008 0.000 0.654 3973 V HN 0.634 nan 8.190 nan 0.000 0.451 3974 G N -0.245 108.560 108.800 0.008 0.000 2.433 3974 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.216 3974 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.216 3974 G C 1.635 176.540 174.900 0.007 0.000 1.186 3974 G CA 1.313 46.418 45.100 0.007 0.000 0.779 3974 G HN 0.405 nan 8.290 nan 0.000 0.543 3975 V N 0.342 120.261 119.914 0.008 0.000 2.548 3975 V HA -0.095 4.025 4.120 -0.000 0.000 0.249 3975 V C 2.968 179.066 176.094 0.008 0.000 1.055 3975 V CA 1.078 63.382 62.300 0.008 0.000 1.065 3975 V CB -0.024 31.805 31.823 0.009 0.000 0.681 3975 V HN 0.227 nan 8.190 nan 0.000 0.462 3976 V N 1.168 121.087 119.914 0.008 0.000 2.427 3976 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 3976 V C 2.602 178.701 176.094 0.007 0.000 1.051 3976 V CA 2.128 64.433 62.300 0.008 0.000 1.048 3976 V CB -1.220 30.609 31.823 0.009 0.000 0.666 3976 V HN 0.603 nan 8.190 nan 0.000 0.456 3977 G N -1.369 107.435 108.800 0.006 0.000 2.402 3977 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 3977 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 3977 G C 1.758 176.660 174.900 0.005 0.000 1.162 3977 G CA 1.215 46.318 45.100 0.005 0.000 0.777 3977 G HN 0.518 nan 8.290 nan 0.000 0.539 3978 C N 0.484 119.787 119.300 0.005 0.000 2.413 3978 C HA -0.031 4.429 4.460 -0.000 0.000 0.276 3978 C C 3.232 178.225 174.990 0.005 0.000 1.248 3978 C CA 1.624 60.644 59.018 0.005 0.000 1.742 3978 C CB -0.932 26.811 27.740 0.005 0.000 2.017 3978 C HN 0.424 nan 8.230 nan 0.000 0.481 3979 T N 0.537 115.094 114.554 0.005 0.000 2.951 3979 T HA -0.032 4.318 4.350 -0.000 0.000 0.268 3979 T C 1.516 176.219 174.700 0.005 0.000 1.073 3979 T CA 0.909 63.012 62.100 0.005 0.000 1.134 3979 T CB -0.186 68.686 68.868 0.006 0.000 0.884 3979 T HN 0.328 nan 8.240 nan 0.000 0.479 3980 I N 1.151 121.724 120.570 0.005 0.000 2.500 3980 I HA -0.006 4.164 4.170 -0.000 0.000 0.252 3980 I C 2.248 178.367 176.117 0.003 0.000 1.142 3980 I CA 1.224 62.527 61.300 0.004 0.000 1.451 3980 I CB -0.191 37.812 38.000 0.004 0.000 1.093 3980 I HN 0.257 nan 8.210 nan 0.000 0.430 3981 E N -0.737 119.465 120.200 0.003 0.000 2.140 3981 E HA -0.061 4.289 4.350 -0.000 0.000 0.191 3981 E C 0.207 176.809 176.600 0.003 0.000 0.973 3981 E CA 0.497 56.898 56.400 0.003 0.000 0.829 3981 E CB 0.254 29.956 29.700 0.003 0.000 0.781 3981 E HN 0.226 nan 8.360 nan 0.000 0.466 3982 D N -0.485 119.917 120.400 0.004 0.000 2.446 3982 D HA 0.156 4.796 4.640 -0.000 0.000 0.251 3982 D C 0.280 176.583 176.300 0.005 0.000 1.137 3982 D CA -0.392 53.611 54.000 0.004 0.000 0.890 3982 D CB 1.136 41.938 40.800 0.005 0.000 1.071 3982 D HN 0.045 nan 8.370 nan 0.000 0.528 3983 G N 3.107 111.910 108.800 0.005 0.000 3.194 3983 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.208 3983 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.208 3983 G C 0.501 175.404 174.900 0.006 0.000 1.240 3983 G CA 0.063 45.166 45.100 0.005 0.000 1.044 3983 G HN 0.245 nan 8.290 nan 0.000 0.495 3984 R N -0.387 120.116 120.500 0.006 0.000 2.637 3984 R HA 0.697 5.037 4.340 -0.000 0.000 0.291 3984 R C 0.102 176.406 176.300 0.007 0.000 0.963 3984 R CA -0.638 55.466 56.100 0.007 0.000 0.901 3984 R CB 1.698 32.002 30.300 0.008 0.000 1.160 3984 R HN 0.323 nan 8.270 nan 0.000 0.457 3985 I N -1.876 118.698 120.570 0.007 0.000 3.145 3985 I HA 0.861 5.031 4.170 -0.000 0.000 0.313 3985 I C -1.138 174.984 176.117 0.008 0.000 1.122 3985 I CA -1.317 59.987 61.300 0.007 0.000 0.987 3985 I CB 2.476 40.479 38.000 0.006 0.000 1.236 3985 I HN 0.325 nan 8.210 nan 0.000 0.453 3986 V N 1.529 121.446 119.914 0.006 0.000 3.077 3986 V HA 0.429 4.549 4.120 -0.000 0.000 0.299 3986 V C -0.342 175.754 176.094 0.003 0.000 1.276 3986 V CA -0.269 62.035 62.300 0.007 0.000 0.993 3986 V CB 2.605 34.431 31.823 0.006 0.000 1.076 3986 V HN 0.993 nan 8.190 nan 0.000 0.434 3987 S N 3.483 119.187 115.700 0.008 0.000 2.560 3987 S HA 0.504 4.974 4.470 -0.000 0.000 0.284 3987 S C 0.569 175.159 174.600 -0.017 0.000 1.327 3987 S CA 0.377 58.578 58.200 0.002 0.000 1.055 3987 S CB 1.239 64.451 63.200 0.021 0.000 0.868 3987 S HN 1.229 nan 8.310 nan 0.000 0.506 3988 G N 0.621 109.404 108.800 -0.028 0.000 2.945 3988 G HA2 0.522 4.482 3.960 -0.000 0.000 0.156 3988 G HA3 0.522 4.482 3.960 -0.000 0.000 0.156 3988 G C 0.889 175.755 174.900 -0.057 0.000 1.375 3988 G CA -0.197 44.876 45.100 -0.044 0.000 1.039 3988 G HN 1.526 nan 8.290 nan 0.000 0.586 3989 G N -1.501 107.257 108.800 -0.069 0.000 2.258 3989 G HA2 0.247 4.207 3.960 -0.000 0.000 0.274 3989 G HA3 0.247 4.207 3.960 -0.000 0.000 0.274 3989 G C 1.413 176.266 174.900 -0.079 0.000 1.021 3989 G CA 1.253 46.306 45.100 -0.077 0.000 0.798 3989 G HN 2.421 nan 8.290 nan 0.000 0.507 3990 G N -1.458 107.295 108.800 -0.078 0.000 2.160 3990 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.251 3990 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.251 3990 G C 1.331 176.163 174.900 -0.113 0.000 1.008 3990 G CA 1.577 46.625 45.100 -0.087 0.000 0.724 3990 G HN 1.904 nan 8.290 nan 0.000 0.514 3991 S N -0.348 115.281 115.700 -0.118 0.000 2.383 3991 S HA -0.135 4.335 4.470 -0.000 0.000 0.227 3991 S C 2.821 177.334 174.600 -0.145 0.000 1.026 3991 S CA 2.560 60.653 58.200 -0.179 0.000 0.981 3991 S CB -0.456 62.674 63.200 -0.118 0.000 0.818 3991 S HN 1.285 nan 8.310 nan 0.000 0.472 3992 T N 0.208 114.714 114.554 -0.080 0.000 2.622 3992 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 3992 T C 1.581 176.249 174.700 -0.054 0.000 1.047 3992 T CA 1.644 63.715 62.100 -0.048 0.000 1.159 3992 T CB -0.979 67.873 68.868 -0.026 0.000 0.863 3992 T HN 0.386 nan 8.240 nan 0.000 0.422 3993 E N 0.842 121.004 120.200 -0.064 0.000 2.171 3993 E HA -0.058 4.292 4.350 -0.000 0.000 0.197 3993 E C 2.261 178.815 176.600 -0.077 0.000 0.997 3993 E CA 0.831 57.191 56.400 -0.066 0.000 0.810 3993 E CB -0.662 28.987 29.700 -0.084 0.000 0.738 3993 E HN 0.414 nan 8.360 nan 0.000 0.467 3994 V N 0.899 120.745 119.914 -0.113 0.000 2.379 3994 V HA -0.180 3.940 4.120 -0.000 0.000 0.245 3994 V C 2.118 178.151 176.094 -0.102 0.000 1.044 3994 V CA 1.471 63.693 62.300 -0.130 0.000 1.036 3994 V CB -0.316 31.375 31.823 -0.219 0.000 0.664 3994 V HN 0.220 nan 8.190 nan 0.000 0.453 3995 E N 0.055 120.196 120.200 -0.098 0.000 2.051 3995 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 3995 E C 2.193 178.775 176.600 -0.029 0.000 0.991 3995 E CA 1.183 57.563 56.400 -0.033 0.000 0.799 3995 E CB -0.308 29.392 29.700 -0.000 0.000 0.748 3995 E HN 0.338 nan 8.360 nan 0.000 0.449 3996 L N 0.946 122.158 121.223 -0.018 0.000 2.046 3996 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 3996 L C 2.577 179.443 176.870 -0.007 0.000 1.077 3996 L CA 1.466 56.312 54.840 0.010 0.000 0.747 3996 L CB -1.245 40.845 42.059 0.052 0.000 0.896 3996 L HN 0.041 nan 8.230 nan 0.000 0.432 3997 S N -1.246 114.442 115.700 -0.020 0.000 2.368 3997 S HA -0.257 4.213 4.470 -0.000 0.000 0.225 3997 S C 2.049 176.619 174.600 -0.050 0.000 1.030 3997 S CA 1.634 59.820 58.200 -0.023 0.000 0.999 3997 S CB -0.177 63.000 63.200 -0.038 0.000 0.844 3997 S HN 0.330 nan 8.310 nan 0.000 0.459 3998 M N 1.303 120.864 119.600 -0.066 0.000 2.066 3998 M HA 0.034 4.514 4.480 -0.000 0.000 0.259 3998 M C 1.787 177.985 176.300 -0.171 0.000 1.074 3998 M CA 1.887 57.137 55.300 -0.083 0.000 1.114 3998 M CB -0.528 32.042 32.600 -0.051 0.000 1.306 3998 M HN 0.041 nan 8.290 nan 0.000 0.411 3999 K N 0.084 120.340 120.400 -0.241 0.000 2.097 3999 K HA -0.012 4.308 4.320 -0.000 0.000 0.206 3999 K C 1.892 177.939 176.600 -0.922 0.000 1.049 3999 K CA 1.448 57.394 56.287 -0.568 0.000 0.933 3999 K CB -0.776 31.455 32.500 -0.448 0.000 0.717 3999 K HN 0.397 nan 8.250 nan 0.000 0.442 4000 L N 0.355 121.338 121.223 -0.400 0.000 2.131 4000 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 4000 L C 2.593 179.416 176.870 -0.079 0.000 1.092 4000 L CA 0.919 55.671 54.840 -0.146 0.000 0.759 4000 L CB -0.291 41.797 42.059 0.047 0.000 0.903 4000 L HN 0.179 nan 8.230 nan 0.000 0.435 4001 R N 0.754 121.193 120.500 -0.102 0.000 2.092 4001 R HA -0.162 4.178 4.340 -0.000 0.000 0.231 4001 R C 1.864 178.141 176.300 -0.040 0.000 1.119 4001 R CA 1.544 57.619 56.100 -0.041 0.000 0.970 4001 R CB -0.055 30.224 30.300 -0.036 0.000 0.864 4001 R HN 0.485 nan 8.270 nan 0.000 0.440 4002 E N -0.786 119.342 120.200 -0.119 0.000 2.072 4002 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 4002 E C 1.886 178.546 176.600 0.100 0.000 0.982 4002 E CA 0.942 57.313 56.400 -0.048 0.000 0.803 4002 E CB -0.179 29.458 29.700 -0.105 0.000 0.755 4002 E HN 0.317 nan 8.360 nan 0.000 0.453 4003 Y N 0.807 121.117 120.300 0.016 0.000 2.207 4003 Y HA -0.167 4.383 4.550 -0.000 0.000 0.287 4003 Y C 2.398 178.305 175.900 0.011 0.000 1.156 4003 Y CA 0.646 58.752 58.100 0.010 0.000 1.182 4003 Y CB -1.252 37.212 38.460 0.006 0.000 0.979 4003 Y HN 0.041 nan 8.280 nan 0.000 0.521 4004 A N 0.326 123.247 122.820 0.168 0.000 1.883 4004 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 4004 A C 2.204 179.833 177.584 0.077 0.000 1.186 4004 A CA 1.851 53.949 52.037 0.102 0.000 0.624 4004 A CB -0.485 18.561 19.000 0.078 0.000 0.822 4004 A HN 0.343 nan 8.150 nan 0.000 0.444 4005 E N -0.534 119.708 120.200 0.070 0.000 2.150 4005 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 4005 E C 2.157 178.790 176.600 0.055 0.000 0.985 4005 E CA 1.081 57.513 56.400 0.053 0.000 0.814 4005 E CB -0.653 29.073 29.700 0.043 0.000 0.752 4005 E HN 0.603 nan 8.360 nan 0.000 0.466 4006 G N 1.153 109.999 108.800 0.076 0.000 2.402 4006 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.216 4006 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.216 4006 G C 1.740 176.663 174.900 0.039 0.000 1.162 4006 G CA 0.406 45.542 45.100 0.061 0.000 0.777 4006 G HN 0.179 nan 8.290 nan 0.000 0.539 4007 I N -0.145 120.451 120.570 0.044 0.000 2.286 4007 I HA 0.010 4.180 4.170 -0.000 0.000 0.245 4007 I C 1.748 177.879 176.117 0.023 0.000 1.104 4007 I CA 0.624 61.940 61.300 0.026 0.000 1.397 4007 I CB -0.276 37.741 38.000 0.029 0.000 1.072 4007 I HN 0.319 nan 8.210 nan 0.000 0.417 4008 S N -0.724 114.994 115.700 0.030 0.000 3.307 4008 S HA -0.152 4.318 4.470 -0.000 0.000 0.634 4008 S C 0.590 175.202 174.600 0.020 0.000 2.711 4008 S CA 0.943 59.157 58.200 0.025 0.000 2.940 4008 S CB -1.372 61.840 63.200 0.019 0.000 0.331 4008 S HN 1.370 nan 8.310 nan 0.000 1.766 4009 G N 0.624 109.433 108.800 0.016 0.000 2.569 4009 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.259 4009 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.259 4009 G C 0.149 175.058 174.900 0.016 0.000 1.263 4009 G CA 1.165 46.273 45.100 0.013 0.000 0.928 4009 G HN 1.159 nan 8.290 nan 0.000 0.572 4010 R N 0.299 120.807 120.500 0.013 0.000 2.153 4010 R HA 0.194 4.534 4.340 -0.000 0.000 0.218 4010 R C 2.596 178.906 176.300 0.016 0.000 1.072 4010 R CA 1.802 57.911 56.100 0.015 0.000 0.990 4010 R CB -0.364 29.945 30.300 0.014 0.000 0.889 4010 R HN 0.707 nan 8.270 nan 0.000 0.452 4011 E N 0.470 120.677 120.200 0.012 0.000 2.160 4011 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 4011 E C 1.810 178.429 176.600 0.032 0.000 0.991 4011 E CA 1.454 57.861 56.400 0.012 0.000 0.810 4011 E CB -0.010 29.692 29.700 0.004 0.000 0.742 4011 E HN 0.534 nan 8.360 nan 0.000 0.466 4012 Q N 0.444 120.266 119.800 0.036 0.000 2.170 4012 Q HA -0.187 4.153 4.340 -0.000 0.000 0.203 4012 Q C 1.976 178.014 176.000 0.063 0.000 0.976 4012 Q CA 1.048 56.882 55.803 0.052 0.000 0.858 4012 Q CB -0.171 28.593 28.738 0.045 0.000 0.907 4012 Q HN 0.166 nan 8.270 nan 0.000 0.433 4013 L N 1.164 122.419 121.223 0.052 0.000 2.093 4013 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 4013 L C 2.559 179.483 176.870 0.089 0.000 1.085 4013 L CA 1.898 56.773 54.840 0.060 0.000 0.755 4013 L CB -1.077 41.006 42.059 0.039 0.000 0.904 4013 L HN 0.410 nan 8.230 nan 0.000 0.435 4014 A N -1.244 121.621 122.820 0.074 0.000 1.898 4014 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 4014 A C 2.331 180.076 177.584 0.268 0.000 1.181 4014 A CA 1.678 53.770 52.037 0.092 0.000 0.620 4014 A CB -0.802 18.186 19.000 -0.020 0.000 0.819 4014 A HN 0.193 nan 8.150 nan 0.000 0.442 4015 V N -0.125 119.901 119.914 0.186 0.000 2.515 4015 V HA -0.187 3.933 4.120 -0.000 0.000 0.250 4015 V C 2.575 178.798 176.094 0.217 0.000 1.058 4015 V CA 2.043 64.461 62.300 0.198 0.000 1.064 4015 V CB -0.795 31.098 31.823 0.117 0.000 0.675 4015 V HN 0.607 nan 8.190 nan 0.000 0.461 4016 R N 0.228 120.828 120.500 0.167 0.000 2.075 4016 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 4016 R C 2.290 178.679 176.300 0.148 0.000 1.126 4016 R CA 1.499 57.676 56.100 0.128 0.000 0.963 4016 R CB -0.344 30.008 30.300 0.087 0.000 0.858 4016 R HN 0.490 nan 8.270 nan 0.000 0.435 4017 A N 0.003 122.950 122.820 0.212 0.000 1.969 4017 A HA -0.156 4.164 4.320 -0.000 0.000 0.218 4017 A C 1.906 179.597 177.584 0.178 0.000 1.169 4017 A CA 0.892 53.063 52.037 0.223 0.000 0.635 4017 A CB -0.624 18.566 19.000 0.317 0.000 0.810 4017 A HN 0.483 nan 8.150 nan 0.000 0.445 4018 F N 0.883 120.879 119.950 0.077 0.000 2.134 4018 F HA -0.062 4.465 4.527 -0.000 0.000 0.299 4018 F C 2.518 178.248 175.800 -0.118 0.000 1.097 4018 F CA 1.285 59.161 58.000 -0.207 0.000 1.264 4018 F CB -0.228 38.684 39.000 -0.148 0.000 1.001 4018 F HN 0.249 nan 8.300 nan 0.000 0.479 4019 A N -0.273 122.644 122.820 0.161 0.000 1.933 4019 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 4019 A C 1.876 179.437 177.584 -0.037 0.000 1.175 4019 A CA 1.964 54.040 52.037 0.064 0.000 0.628 4019 A CB -0.862 18.188 19.000 0.083 0.000 0.814 4019 A HN 0.413 nan 8.150 nan 0.000 0.444 4020 D N -0.104 120.281 120.400 -0.026 0.000 2.224 4020 D HA 0.058 4.698 4.640 -0.000 0.000 0.205 4020 D C 2.119 178.360 176.300 -0.098 0.000 0.965 4020 D CA 1.227 55.200 54.000 -0.044 0.000 0.852 4020 D CB -0.284 40.512 40.800 -0.007 0.000 0.947 4020 D HN 0.421 nan 8.370 nan 0.000 0.494 4021 A N 0.538 123.256 122.820 -0.170 0.000 1.969 4021 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 4021 A C 2.243 179.663 177.584 -0.274 0.000 1.169 4021 A CA 0.550 52.440 52.037 -0.244 0.000 0.635 4021 A CB -0.631 18.136 19.000 -0.389 0.000 0.810 4021 A HN 0.204 nan 8.150 nan 0.000 0.445 4022 L N -0.574 120.467 121.223 -0.305 0.000 2.265 4022 L HA -0.182 4.158 4.340 -0.000 0.000 0.215 4022 L C 2.411 179.187 176.870 -0.157 0.000 1.117 4022 L CA 1.484 56.174 54.840 -0.251 0.000 0.782 4022 L CB -0.419 41.516 42.059 -0.207 0.000 0.914 4022 L HN 0.564 nan 8.230 nan 0.000 0.441 4023 E N 0.001 120.125 120.200 -0.128 0.000 2.409 4023 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 4023 E C 2.202 178.750 176.600 -0.086 0.000 1.024 4023 E CA 0.501 56.845 56.400 -0.093 0.000 0.861 4023 E CB 0.176 29.832 29.700 -0.074 0.000 0.788 4023 E HN 0.307 nan 8.360 nan 0.000 0.521 4024 V N 0.871 120.726 119.914 -0.098 0.000 2.469 4024 V HA -0.246 3.874 4.120 -0.000 0.000 0.251 4024 V C 1.920 177.969 176.094 -0.075 0.000 1.064 4024 V CA 1.224 63.474 62.300 -0.082 0.000 1.066 4024 V CB -0.296 31.473 31.823 -0.090 0.000 0.667 4024 V HN 0.324 nan 8.190 nan 0.000 0.461 4025 I N 0.636 121.156 120.570 -0.084 0.000 2.113 4025 I HA -0.093 4.077 4.170 -0.000 0.000 0.238 4025 I C 0.309 176.387 176.117 -0.066 0.000 1.070 4025 I CA 1.827 63.083 61.300 -0.074 0.000 1.332 4025 I CB -3.031 34.921 38.000 -0.080 0.000 1.044 4025 I HN 0.336 nan 8.210 nan 0.000 0.402 4026 P HA -0.137 nan 4.420 nan 0.000 0.216 4026 P C 1.727 178.996 177.300 -0.052 0.000 1.153 4026 P CA 1.397 64.460 63.100 -0.062 0.000 0.858 4026 P CB -0.121 31.540 31.700 -0.066 0.000 0.789 4027 R N -0.637 119.832 120.500 -0.051 0.000 2.091 4027 R HA -0.076 4.264 4.340 -0.000 0.000 0.238 4027 R C 2.152 178.429 176.300 -0.038 0.000 1.136 4027 R CA 2.209 58.284 56.100 -0.043 0.000 0.959 4027 R CB -2.034 28.240 30.300 -0.044 0.000 0.856 4027 R HN 0.356 nan 8.270 nan 0.000 0.437 4028 T N -1.901 112.629 114.554 -0.041 0.000 3.057 4028 T HA 0.067 4.417 4.350 -0.000 0.000 0.254 4028 T C 1.904 176.584 174.700 -0.033 0.000 1.094 4028 T CA -0.046 62.033 62.100 -0.035 0.000 1.088 4028 T CB -0.015 68.831 68.868 -0.036 0.000 0.934 4028 T HN -0.103 nan 8.240 nan 0.000 0.497 4029 L N 1.812 123.011 121.223 -0.040 0.000 2.027 4029 L HA 0.297 4.637 4.340 -0.000 0.000 0.206 4029 L C 2.934 179.782 176.870 -0.037 0.000 1.074 4029 L CA 1.767 56.581 54.840 -0.043 0.000 0.745 4029 L CB -1.168 40.858 42.059 -0.054 0.000 0.898 4029 L HN 0.429 nan 8.230 nan 0.000 0.433 4030 A N -1.642 121.157 122.820 -0.035 0.000 2.021 4030 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 4030 A C 2.278 179.851 177.584 -0.018 0.000 1.163 4030 A CA 1.055 53.076 52.037 -0.026 0.000 0.676 4030 A CB -0.387 18.597 19.000 -0.027 0.000 0.818 4030 A HN 0.465 nan 8.150 nan 0.000 0.453 4031 E N 0.339 120.527 120.200 -0.020 0.000 2.028 4031 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 4031 E C 1.483 178.077 176.600 -0.010 0.000 0.988 4031 E CA 1.336 57.727 56.400 -0.015 0.000 0.799 4031 E CB -0.137 29.552 29.700 -0.018 0.000 0.755 4031 E HN 0.512 nan 8.360 nan 0.000 0.447 4032 N N 0.304 118.997 118.700 -0.011 0.000 2.309 4032 N HA -0.108 4.632 4.740 -0.000 0.000 0.182 4032 N C 1.396 176.908 175.510 0.003 0.000 1.018 4032 N CA 1.122 54.169 53.050 -0.005 0.000 0.876 4032 N CB -0.216 38.266 38.487 -0.008 0.000 0.972 4032 N HN 0.233 nan 8.380 nan 0.000 0.434 4033 A N -0.125 122.695 122.820 0.000 0.000 2.067 4033 A HA 0.319 4.639 4.320 -0.000 0.000 0.217 4033 A C 1.512 179.105 177.584 0.015 0.000 1.156 4033 A CA 1.108 53.152 52.037 0.011 0.000 0.683 4033 A CB -0.371 18.629 19.000 0.000 0.000 0.808 4033 A HN 0.312 nan 8.150 nan 0.000 0.455 4034 G N -1.327 107.476 108.800 0.006 0.000 2.149 4034 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.235 4034 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.235 4034 G C -0.026 174.877 174.900 0.005 0.000 1.018 4034 G CA 0.285 45.389 45.100 0.006 0.000 0.728 4034 G HN 0.432 nan 8.290 nan 0.000 0.508 4035 L N 0.133 121.356 121.223 0.001 0.000 2.399 4035 L HA 0.446 4.786 4.340 -0.000 0.000 0.265 4035 L C 0.546 177.413 176.870 -0.006 0.000 1.089 4035 L CA -1.011 53.828 54.840 -0.002 0.000 0.802 4035 L CB 0.845 42.901 42.059 -0.005 0.000 1.180 4035 L HN 0.095 nan 8.230 nan 0.000 0.454 4036 D N 1.184 121.581 120.400 -0.005 0.000 2.346 4036 D HA 0.077 4.717 4.640 -0.000 0.000 0.267 4036 D C 0.754 177.047 176.300 -0.012 0.000 1.320 4036 D CA 0.170 54.166 54.000 -0.007 0.000 0.951 4036 D CB 1.603 42.400 40.800 -0.005 0.000 1.079 4036 D HN 0.638 nan 8.370 nan 0.000 0.509 4037 A N 4.924 127.736 122.820 -0.014 0.000 1.908 4037 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 4037 A C 2.301 179.873 177.584 -0.020 0.000 1.181 4037 A CA 1.022 53.047 52.037 -0.020 0.000 0.627 4037 A CB -0.353 18.635 19.000 -0.021 0.000 0.818 4037 A HN 0.755 nan 8.150 nan 0.000 0.445 4038 I N -1.070 119.491 120.570 -0.016 0.000 2.142 4038 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 4038 I C 2.607 178.716 176.117 -0.013 0.000 1.078 4038 I CA 1.860 63.151 61.300 -0.015 0.000 1.343 4038 I CB -0.329 37.664 38.000 -0.012 0.000 1.046 4038 I HN 0.368 nan 8.210 nan 0.000 0.405 4039 E N 1.226 121.420 120.200 -0.011 0.000 2.072 4039 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 4039 E C 2.131 178.726 176.600 -0.009 0.000 0.985 4039 E CA 1.221 57.616 56.400 -0.008 0.000 0.801 4039 E CB -0.020 29.677 29.700 -0.006 0.000 0.750 4039 E HN 0.238 nan 8.360 nan 0.000 0.452 4040 I N 0.371 120.934 120.570 -0.012 0.000 2.127 4040 I HA -0.248 3.922 4.170 -0.000 0.000 0.241 4040 I C 2.079 178.185 176.117 -0.017 0.000 1.075 4040 I CA 0.947 62.239 61.300 -0.014 0.000 1.334 4040 I CB -1.090 36.899 38.000 -0.018 0.000 1.040 4040 I HN 0.226 nan 8.210 nan 0.000 0.405 4041 L N 0.148 121.357 121.223 -0.022 0.000 2.042 4041 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 4041 L C 2.622 179.481 176.870 -0.019 0.000 1.076 4041 L CA 1.383 56.206 54.840 -0.027 0.000 0.749 4041 L CB -1.205 40.835 42.059 -0.031 0.000 0.893 4041 L HN 0.018 nan 8.230 nan 0.000 0.432 4042 V N -0.827 119.079 119.914 -0.013 0.000 2.358 4042 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 4042 V C 2.601 178.694 176.094 -0.001 0.000 1.047 4042 V CA 1.347 63.643 62.300 -0.007 0.000 1.035 4042 V CB -0.520 31.299 31.823 -0.006 0.000 0.658 4042 V HN 0.380 nan 8.190 nan 0.000 0.452 4043 K N -0.071 120.329 120.400 -0.001 0.000 2.057 4043 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 4043 K C 2.141 178.747 176.600 0.010 0.000 1.050 4043 K CA 1.052 57.341 56.287 0.004 0.000 0.935 4043 K CB -0.715 31.786 32.500 0.001 0.000 0.715 4043 K HN 0.383 nan 8.250 nan 0.000 0.439 4044 V N 1.535 121.451 119.914 0.004 0.000 2.261 4044 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 4044 V C 2.496 178.611 176.094 0.035 0.000 1.047 4044 V CA 1.661 63.968 62.300 0.011 0.000 1.015 4044 V CB -0.429 31.386 31.823 -0.014 0.000 0.642 4044 V HN 0.299 nan 8.190 nan 0.000 0.446 4045 R N 0.042 120.550 120.500 0.013 0.000 2.091 4045 R HA -0.176 4.164 4.340 -0.000 0.000 0.238 4045 R C 2.414 178.757 176.300 0.071 0.000 1.136 4045 R CA 1.581 57.699 56.100 0.029 0.000 0.959 4045 R CB -0.660 29.638 30.300 -0.003 0.000 0.856 4045 R HN 0.558 nan 8.270 nan 0.000 0.437 4046 A N 1.253 124.097 122.820 0.041 0.000 1.858 4046 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 4046 A C 2.406 180.012 177.584 0.038 0.000 1.190 4046 A CA 1.727 53.783 52.037 0.033 0.000 0.617 4046 A CB -0.803 18.208 19.000 0.017 0.000 0.827 4046 A HN 0.405 nan 8.150 nan 0.000 0.443 4047 A N -1.212 121.632 122.820 0.041 0.000 1.908 4047 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 4047 A C 2.154 179.766 177.584 0.046 0.000 1.181 4047 A CA 1.868 53.926 52.037 0.035 0.000 0.627 4047 A CB -0.991 18.028 19.000 0.032 0.000 0.818 4047 A HN 0.791 nan 8.150 nan 0.000 0.445 4048 H N 0.023 119.085 119.070 -0.013 0.000 2.353 4048 H HA -0.046 4.510 4.556 0.000 0.000 0.300 4048 H C 2.207 177.528 175.328 -0.012 0.000 1.090 4048 H CA 1.662 57.702 56.048 -0.013 0.000 1.327 4048 H CB -0.214 29.538 29.762 -0.016 0.000 1.383 4048 H HN 0.397 nan 8.280 nan 0.000 0.508 4049 A N -0.082 122.748 122.820 0.017 0.000 2.019 4049 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 4049 A C 2.700 180.239 177.584 -0.075 0.000 1.164 4049 A CA 1.799 53.817 52.037 -0.033 0.000 0.644 4049 A CB -0.624 18.396 19.000 0.034 0.000 0.805 4049 A HN 0.511 nan 8.150 nan 0.000 0.449 4050 S N -0.556 115.109 115.700 -0.058 0.000 2.370 4050 S HA -0.054 4.416 4.470 -0.000 0.000 0.214 4050 S C 1.792 176.351 174.600 -0.068 0.000 1.033 4050 S CA 0.788 58.959 58.200 -0.049 0.000 0.941 4050 S CB -0.354 62.832 63.200 -0.024 0.000 0.886 4050 S HN 0.568 nan 8.310 nan 0.000 0.521 4051 N N 1.309 119.969 118.700 -0.067 0.000 2.396 4051 N HA 0.212 4.952 4.740 -0.000 0.000 0.180 4051 N C 1.069 176.520 175.510 -0.099 0.000 1.028 4051 N CA 1.012 54.024 53.050 -0.063 0.000 0.893 4051 N CB -0.019 38.447 38.487 -0.035 0.000 0.967 4051 N HN 0.634 nan 8.380 nan 0.000 0.440 4052 G N 0.336 109.021 108.800 -0.193 0.000 2.378 4052 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.198 4052 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.198 4052 G C 0.050 174.728 174.900 -0.369 0.000 1.223 4052 G CA -0.035 44.910 45.100 -0.258 0.000 1.088 4052 G HN 0.263 nan 8.290 nan 0.000 0.530 4053 N N 0.431 119.027 118.700 -0.174 0.000 2.415 4053 N HA 0.138 4.878 4.740 -0.000 0.000 0.174 4053 N C 1.617 177.167 175.510 0.067 0.000 1.048 4053 N CA 1.168 54.225 53.050 0.011 0.000 0.895 4053 N CB 0.140 38.660 38.487 0.055 0.000 1.036 4053 N HN 0.609 nan 8.380 nan 0.000 0.449 4054 K N -0.652 119.757 120.400 0.015 0.000 2.399 4054 K HA 0.378 4.698 4.320 -0.000 0.000 0.204 4054 K C -0.540 176.068 176.600 0.013 0.000 1.023 4054 K CA 0.010 56.308 56.287 0.019 0.000 1.127 4054 K CB 0.332 32.837 32.500 0.008 0.000 0.856 4054 K HN 0.016 nan 8.250 nan 0.000 0.514 4055 C N 1.294 120.601 119.300 0.011 0.000 3.401 4055 C HA 0.706 5.166 4.460 -0.000 0.000 0.204 4055 C C 0.406 175.412 174.990 0.026 0.000 1.522 4055 C CA -0.507 58.515 59.018 0.007 0.000 1.409 4055 C CB -0.543 27.188 27.740 -0.015 0.000 1.967 4055 C HN 0.662 nan 8.230 nan 0.000 0.496 4056 A N 0.476 123.326 122.820 0.050 0.000 3.169 4056 A HA 0.930 5.250 4.320 -0.000 0.000 0.146 4056 A C 0.531 178.136 177.584 0.034 0.000 1.265 4056 A CA 0.558 52.637 52.037 0.069 0.000 2.339 4056 A CB -0.750 18.346 19.000 0.160 0.000 2.810 4056 A HN 1.985 nan 8.150 nan 0.000 1.169 4057 G N -1.368 107.450 108.800 0.031 0.000 2.960 4057 G HA2 0.229 4.189 3.960 -0.000 0.000 0.267 4057 G HA3 0.229 4.189 3.960 -0.000 0.000 0.267 4057 G C -0.321 174.563 174.900 -0.027 0.000 1.492 4057 G CA 0.209 45.299 45.100 -0.016 0.000 0.953 4057 G HN 2.017 nan 8.290 nan 0.000 0.555 4058 L N 0.084 121.277 121.223 -0.051 0.000 2.312 4058 L HA 0.732 5.072 4.340 -0.000 0.000 0.281 4058 L C 0.232 177.050 176.870 -0.086 0.000 1.070 4058 L CA -0.827 53.978 54.840 -0.058 0.000 0.805 4058 L CB 1.599 43.620 42.059 -0.064 0.000 1.174 4058 L HN 0.674 nan 8.230 nan 0.000 0.434 4059 N N 3.113 121.769 118.700 -0.074 0.000 2.800 4059 N HA 0.232 4.972 4.740 -0.000 0.000 0.240 4059 N C 0.659 176.109 175.510 -0.098 0.000 1.096 4059 N CA -0.310 52.675 53.050 -0.108 0.000 0.877 4059 N CB 0.941 39.402 38.487 -0.044 0.000 1.138 4059 N HN 0.515 nan 8.380 nan 0.000 0.509 4060 V N 2.525 122.325 119.914 -0.189 0.000 2.453 4060 V HA -0.247 3.873 4.120 -0.000 0.000 0.252 4060 V C 1.486 177.624 176.094 0.073 0.000 1.068 4060 V CA 1.546 63.785 62.300 -0.101 0.000 1.070 4060 V CB -0.815 30.914 31.823 -0.157 0.000 0.664 4060 V HN 0.581 nan 8.190 nan 0.000 0.461 4061 F N 1.181 121.129 119.950 -0.004 0.000 2.146 4061 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 4061 F C 2.665 178.464 175.800 -0.003 0.000 1.096 4061 F CA 1.775 59.773 58.000 -0.004 0.000 1.275 4061 F CB -1.584 37.414 39.000 -0.004 0.000 1.008 4061 F HN 0.383 nan 8.300 nan 0.000 0.480 4062 T N -3.751 110.915 114.554 0.187 0.000 3.044 4062 T HA 0.370 4.720 4.350 -0.000 0.000 0.250 4062 T C 1.562 176.299 174.700 0.061 0.000 1.081 4062 T CA 0.476 62.636 62.100 0.100 0.000 1.040 4062 T CB -0.122 68.792 68.868 0.077 0.000 0.962 4062 T HN 0.421 nan 8.240 nan 0.000 0.506 4063 G N 1.192 110.024 108.800 0.052 0.000 2.295 4063 G HA2 0.199 4.159 3.960 -0.000 0.000 0.287 4063 G HA3 0.199 4.159 3.960 -0.000 0.000 0.287 4063 G C 0.112 175.021 174.900 0.015 0.000 1.055 4063 G CA -0.055 45.062 45.100 0.027 0.000 0.922 4063 G HN 1.442 nan 8.290 nan 0.000 0.503 4064 A N -1.699 121.127 122.820 0.011 0.000 2.608 4064 A HA 0.943 5.263 4.320 -0.000 0.000 0.292 4064 A C 0.309 177.894 177.584 0.002 0.000 1.066 4064 A CA 0.048 52.089 52.037 0.008 0.000 0.676 4064 A CB 0.882 19.890 19.000 0.013 0.000 1.277 4064 A HN 1.942 nan 8.150 nan 0.000 0.413 4065 V N -0.647 119.268 119.914 0.003 0.000 3.209 4065 V HA 0.515 4.635 4.120 -0.000 0.000 0.305 4065 V C 0.173 176.271 176.094 0.006 0.000 1.127 4065 V CA 0.366 62.669 62.300 0.004 0.000 1.235 4065 V CB 0.181 32.010 31.823 0.011 0.000 0.987 4065 V HN 0.940 nan 8.190 nan 0.000 0.499 4066 E N 0.678 120.882 120.200 0.006 0.000 2.296 4066 E HA 0.384 4.734 4.350 -0.000 0.000 0.224 4066 E C -1.412 175.194 176.600 0.010 0.000 0.949 4066 E CA -0.597 55.808 56.400 0.008 0.000 0.879 4066 E CB 0.821 30.525 29.700 0.008 0.000 1.922 4066 E HN 0.877 nan 8.360 nan 0.000 0.437 4067 D N 1.261 121.666 120.400 0.009 0.000 2.441 4067 D HA 0.187 4.827 4.640 -0.000 0.000 0.231 4067 D C 0.869 177.174 176.300 0.008 0.000 1.073 4067 D CA -0.304 53.702 54.000 0.009 0.000 0.850 4067 D CB 0.802 41.607 40.800 0.008 0.000 1.062 4067 D HN 0.188 nan 8.370 nan 0.000 0.524 4068 M N 1.948 121.552 119.600 0.007 0.000 2.117 4068 M HA -0.146 4.334 4.480 -0.000 0.000 0.262 4068 M C 2.281 178.583 176.300 0.005 0.000 1.065 4068 M CA 0.859 56.160 55.300 0.001 0.000 1.114 4068 M CB -1.093 31.508 32.600 0.001 0.000 1.361 4068 M HN 0.547 nan 8.290 nan 0.000 0.408 4069 C N 0.447 119.752 119.300 0.008 0.000 2.453 4069 C HA -0.170 4.290 4.460 -0.000 0.000 0.277 4069 C C 2.713 177.708 174.990 0.009 0.000 1.262 4069 C CA 1.496 60.519 59.018 0.008 0.000 1.718 4069 C CB -0.857 26.889 27.740 0.008 0.000 2.031 4069 C HN 0.596 nan 8.230 nan 0.000 0.480 4070 E N 1.153 121.358 120.200 0.009 0.000 2.118 4070 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 4070 E C 1.611 178.219 176.600 0.014 0.000 0.992 4070 E CA 1.680 58.086 56.400 0.010 0.000 0.804 4070 E CB -0.373 29.332 29.700 0.010 0.000 0.741 4070 E HN 0.632 nan 8.360 nan 0.000 0.458 4071 N N -0.434 118.275 118.700 0.015 0.000 2.398 4071 N HA 0.070 4.810 4.740 -0.000 0.000 0.188 4071 N C 0.544 176.067 175.510 0.020 0.000 1.122 4071 N CA 0.898 53.960 53.050 0.021 0.000 0.866 4071 N CB 0.529 39.029 38.487 0.022 0.000 0.970 4071 N HN 0.287 nan 8.380 nan 0.000 0.462 4072 G N 0.540 109.349 108.800 0.014 0.000 2.283 4072 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.280 4072 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.280 4072 G C -0.090 174.816 174.900 0.010 0.000 1.029 4072 G CA 0.261 45.369 45.100 0.013 0.000 0.840 4072 G HN 0.200 nan 8.290 nan 0.000 0.505 4073 V N 1.063 120.979 119.914 0.002 0.000 2.222 4073 V HA 0.478 4.598 4.120 -0.000 0.000 0.253 4073 V C 0.792 176.877 176.094 -0.015 0.000 1.210 4073 V CA 0.067 62.360 62.300 -0.012 0.000 1.079 4073 V CB 0.540 32.343 31.823 -0.034 0.000 1.265 4073 V HN 0.961 nan 8.190 nan 0.000 0.494 4074 V N 1.912 121.821 119.914 -0.007 0.000 2.914 4074 V HA 0.888 5.008 4.120 -0.000 0.000 0.314 4074 V C -0.574 175.516 176.094 -0.007 0.000 1.084 4074 V CA -0.850 61.446 62.300 -0.006 0.000 0.963 4074 V CB 2.296 34.119 31.823 0.000 0.000 1.025 4074 V HN 0.777 nan 8.190 nan 0.000 0.432 4075 E N 2.148 122.343 120.200 -0.008 0.000 2.336 4075 E HA 0.723 5.073 4.350 -0.000 0.000 0.267 4075 E C -3.108 173.490 176.600 -0.002 0.000 0.906 4075 E CA -2.474 53.922 56.400 -0.006 0.000 0.781 4075 E CB 2.130 31.823 29.700 -0.012 0.000 1.261 4075 E HN 0.494 nan 8.360 nan 0.000 0.436 4076 P HA -0.032 nan 4.420 nan 0.000 0.269 4076 P C 0.336 177.637 177.300 0.001 0.000 1.209 4076 P CA -0.410 62.691 63.100 0.002 0.000 0.776 4076 P CB 0.524 32.225 31.700 0.002 0.000 0.876 4077 L N 3.407 124.632 121.223 0.004 0.000 2.093 4077 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 4077 L C 2.202 179.076 176.870 0.006 0.000 1.085 4077 L CA 1.715 56.558 54.840 0.005 0.000 0.755 4077 L CB -0.627 41.436 42.059 0.008 0.000 0.904 4077 L HN 0.268 nan 8.230 nan 0.000 0.435 4078 R N -1.442 119.062 120.500 0.005 0.000 2.127 4078 R HA -0.148 4.192 4.340 -0.000 0.000 0.238 4078 R C 2.103 178.405 176.300 0.004 0.000 1.134 4078 R CA 1.415 57.519 56.100 0.005 0.000 0.975 4078 R CB -0.598 29.705 30.300 0.005 0.000 0.865 4078 R HN 0.293 nan 8.270 nan 0.000 0.447 4079 V N 1.362 121.278 119.914 0.002 0.000 2.255 4079 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 4079 V C 2.289 178.383 176.094 -0.001 0.000 1.051 4079 V CA 1.710 64.010 62.300 -0.001 0.000 1.018 4079 V CB -0.332 31.489 31.823 -0.004 0.000 0.641 4079 V HN 0.221 nan 8.190 nan 0.000 0.445 4080 K N -0.264 120.135 120.400 -0.001 0.000 2.103 4080 K HA -0.060 4.260 4.320 -0.000 0.000 0.204 4080 K C 2.233 178.838 176.600 0.008 0.000 1.052 4080 K CA 1.566 57.853 56.287 -0.001 0.000 0.945 4080 K CB -0.704 31.795 32.500 -0.002 0.000 0.722 4080 K HN 0.501 nan 8.250 nan 0.000 0.443 4081 T N 1.343 115.903 114.554 0.011 0.000 2.737 4081 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 4081 T C 1.927 176.638 174.700 0.017 0.000 1.038 4081 T CA 1.434 63.545 62.100 0.017 0.000 1.144 4081 T CB -0.074 68.803 68.868 0.015 0.000 0.866 4081 T HN 0.157 nan 8.240 nan 0.000 0.434 4082 Q N 1.316 121.123 119.800 0.012 0.000 2.079 4082 Q HA 0.118 4.458 4.340 -0.000 0.000 0.200 4082 Q C 2.312 178.319 176.000 0.012 0.000 0.974 4082 Q CA 1.667 57.477 55.803 0.012 0.000 0.840 4082 Q CB -0.741 28.002 28.738 0.008 0.000 0.898 4082 Q HN 0.471 nan 8.270 nan 0.000 0.430 4083 A N 0.401 123.226 122.820 0.008 0.000 1.892 4083 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 4083 A C 2.145 179.735 177.584 0.010 0.000 1.188 4083 A CA 1.780 53.819 52.037 0.003 0.000 0.631 4083 A CB -0.878 18.119 19.000 -0.005 0.000 0.822 4083 A HN 0.489 nan 8.150 nan 0.000 0.447 4084 I N -1.087 119.495 120.570 0.020 0.000 2.202 4084 I HA -0.274 3.896 4.170 -0.000 0.000 0.242 4084 I C 2.783 178.932 176.117 0.052 0.000 1.091 4084 I CA 1.776 63.102 61.300 0.043 0.000 1.368 4084 I CB -0.347 37.693 38.000 0.067 0.000 1.058 4084 I HN 0.439 nan 8.210 nan 0.000 0.410 4085 Q N 1.101 120.925 119.800 0.039 0.000 1.975 4085 Q HA -0.191 4.149 4.340 -0.000 0.000 0.205 4085 Q C 2.295 178.315 176.000 0.034 0.000 0.990 4085 Q CA 2.631 58.455 55.803 0.036 0.000 0.845 4085 Q CB -0.375 28.378 28.738 0.025 0.000 0.913 4085 Q HN 0.327 nan 8.270 nan 0.000 0.420 4086 S N 0.192 115.907 115.700 0.025 0.000 2.383 4086 S HA -0.159 4.311 4.470 -0.000 0.000 0.229 4086 S C 1.897 176.512 174.600 0.024 0.000 1.030 4086 S CA 0.986 59.199 58.200 0.021 0.000 1.002 4086 S CB -0.666 62.543 63.200 0.014 0.000 0.829 4086 S HN 0.587 nan 8.310 nan 0.000 0.467 4087 A N 1.549 124.383 122.820 0.024 0.000 1.877 4087 A HA 0.099 4.419 4.320 -0.000 0.000 0.216 4087 A C 2.363 179.971 177.584 0.041 0.000 1.186 4087 A CA 1.726 53.776 52.037 0.021 0.000 0.620 4087 A CB -1.080 17.924 19.000 0.005 0.000 0.822 4087 A HN 0.524 nan 8.150 nan 0.000 0.443 4088 A N -0.319 122.539 122.820 0.065 0.000 1.930 4088 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 4088 A C 1.885 179.518 177.584 0.081 0.000 1.175 4088 A CA 1.512 53.608 52.037 0.099 0.000 0.627 4088 A CB -0.503 18.571 19.000 0.123 0.000 0.815 4088 A HN 0.625 nan 8.150 nan 0.000 0.443 4089 E N 0.056 120.290 120.200 0.058 0.000 2.153 4089 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 4089 E C 2.165 178.792 176.600 0.044 0.000 0.988 4089 E CA 1.242 57.670 56.400 0.047 0.000 0.811 4089 E CB -0.094 29.626 29.700 0.034 0.000 0.746 4089 E HN 0.605 nan 8.360 nan 0.000 0.466 4090 S N 0.182 115.907 115.700 0.041 0.000 2.377 4090 S HA -0.084 4.386 4.470 -0.000 0.000 0.223 4090 S C 2.107 176.735 174.600 0.047 0.000 1.030 4090 S CA 1.148 59.370 58.200 0.036 0.000 0.970 4090 S CB -0.159 63.057 63.200 0.027 0.000 0.830 4090 S HN 0.255 nan 8.310 nan 0.000 0.473 4091 T N 1.975 116.567 114.554 0.063 0.000 2.788 4091 T HA -0.084 4.266 4.350 -0.000 0.000 0.268 4091 T C 1.786 176.545 174.700 0.098 0.000 1.044 4091 T CA 1.048 63.200 62.100 0.087 0.000 1.139 4091 T CB -0.236 68.705 68.868 0.121 0.000 0.867 4091 T HN 0.329 nan 8.240 nan 0.000 0.454 4092 E N 1.017 121.272 120.200 0.093 0.000 2.150 4092 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 4092 E C 2.155 178.788 176.600 0.055 0.000 0.985 4092 E CA 0.709 57.157 56.400 0.080 0.000 0.814 4092 E CB -0.258 29.483 29.700 0.070 0.000 0.752 4092 E HN 0.341 nan 8.360 nan 0.000 0.466 4093 M N 0.653 120.282 119.600 0.047 0.000 2.117 4093 M HA -0.153 4.327 4.480 -0.000 0.000 0.262 4093 M C 2.144 178.465 176.300 0.035 0.000 1.065 4093 M CA 1.180 56.502 55.300 0.036 0.000 1.114 4093 M CB -0.492 32.126 32.600 0.031 0.000 1.361 4093 M HN 0.127 nan 8.290 nan 0.000 0.408 4094 L N -0.107 121.140 121.223 0.040 0.000 2.056 4094 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 4094 L C 2.463 179.356 176.870 0.037 0.000 1.078 4094 L CA 0.852 55.714 54.840 0.036 0.000 0.749 4094 L CB -0.747 41.336 42.059 0.039 0.000 0.901 4094 L HN 0.294 nan 8.230 nan 0.000 0.433 4095 L N -0.379 120.873 121.223 0.048 0.000 2.191 4095 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 4095 L C 2.770 179.658 176.870 0.031 0.000 1.103 4095 L CA 0.989 55.853 54.840 0.041 0.000 0.769 4095 L CB -0.426 41.665 42.059 0.052 0.000 0.908 4095 L HN 0.261 nan 8.230 nan 0.000 0.438 4096 R N 0.570 121.090 120.500 0.033 0.000 2.148 4096 R HA -0.013 4.327 4.340 -0.000 0.000 0.223 4096 R C 0.768 177.084 176.300 0.026 0.000 1.088 4096 R CA 0.311 56.429 56.100 0.030 0.000 0.985 4096 R CB -0.009 30.308 30.300 0.028 0.000 0.880 4096 R HN 0.227 nan 8.270 nan 0.000 0.451 4097 I N 2.168 122.752 120.570 0.024 0.000 2.517 4097 I HA -0.054 4.116 4.170 -0.000 0.000 0.285 4097 I C -0.001 176.127 176.117 0.018 0.000 1.106 4097 I CA 0.477 61.790 61.300 0.021 0.000 1.402 4097 I CB 0.963 38.976 38.000 0.021 0.000 1.399 4097 I HN 0.100 nan 8.210 nan 0.000 0.535 4098 D N 4.169 124.579 120.400 0.017 0.000 2.535 4098 D HA 0.146 4.786 4.640 -0.000 0.000 0.229 4098 D C -0.498 175.810 176.300 0.013 0.000 1.238 4098 D CA 0.244 54.251 54.000 0.011 0.000 0.824 4098 D CB 0.684 41.490 40.800 0.010 0.000 1.045 4098 D HN 0.466 nan 8.370 nan 0.000 0.500 4099 D N 0.473 120.884 120.400 0.018 0.000 2.931 4099 D HA 0.184 4.824 4.640 -0.000 0.000 0.215 4099 D C -1.445 174.872 176.300 0.027 0.000 1.297 4099 D CA -0.421 53.592 54.000 0.023 0.000 0.892 4099 D CB 2.065 42.877 40.800 0.020 0.000 1.642 4099 D HN -0.322 nan 8.370 nan 0.000 0.560 4100 V N 5.010 124.946 119.914 0.036 0.000 2.443 4100 V HA 0.516 4.636 4.120 -0.000 0.000 0.293 4100 V C 0.027 176.155 176.094 0.057 0.000 1.021 4100 V CA -0.568 61.758 62.300 0.042 0.000 0.848 4100 V CB 1.587 33.434 31.823 0.041 0.000 0.998 4100 V HN 0.519 nan 8.190 nan 0.000 0.424 4101 I N 4.539 125.139 120.570 0.049 0.000 2.437 4101 I HA 0.668 4.838 4.170 -0.000 0.000 0.279 4101 I C 0.224 176.371 176.117 0.050 0.000 1.028 4101 I CA -0.403 60.929 61.300 0.052 0.000 1.142 4101 I CB 1.608 39.629 38.000 0.035 0.000 1.266 4101 I HN 0.660 nan 8.210 nan 0.000 0.461 4102 A N 5.143 128.005 122.820 0.070 0.000 2.287 4102 A HA 0.859 5.179 4.320 -0.000 0.000 0.317 4102 A C 0.298 177.911 177.584 0.048 0.000 1.220 4102 A CA -0.436 51.633 52.037 0.053 0.000 0.835 4102 A CB 0.962 19.994 19.000 0.053 0.000 1.180 4102 A HN 0.744 nan 8.150 nan 0.000 0.500 4103 A N 1.983 124.817 122.820 0.023 0.000 2.429 4103 A HA 0.468 4.788 4.320 -0.000 0.000 0.242 4103 A C 0.614 178.200 177.584 0.002 0.000 1.088 4103 A CA 0.175 52.219 52.037 0.012 0.000 0.784 4103 A CB -0.020 18.983 19.000 0.005 0.000 1.038 4103 A HN 0.946 nan 8.150 nan 0.000 0.501 4104 E N 0.000 120.198 120.200 -0.003 0.000 2.725 4104 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 4104 E CA 0.000 56.392 56.400 -0.014 0.000 0.976 4104 E CB 0.000 29.693 29.700 -0.011 0.000 0.812 4104 E HN 0.000 nan 8.360 nan 0.000 0.440