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 3izj_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 AAIAALSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3592 V HA 0.000 nan 4.120 nan 0.000 0.244 3592 V C 0.000 176.090 176.094 -0.007 0.000 1.182 3592 V CA 0.000 62.296 62.300 -0.007 0.000 1.235 3592 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 3593 L N 2.645 123.862 121.223 -0.010 0.000 2.375 3593 L HA 0.475 4.815 4.340 0.000 0.000 0.271 3593 L C -2.074 174.790 176.870 -0.011 0.000 1.107 3593 L CA -1.503 53.331 54.840 -0.010 0.000 0.806 3593 L CB 0.352 42.403 42.059 -0.015 0.000 1.146 3593 L HN 0.137 nan 8.230 nan 0.000 0.447 3594 P HA 0.027 nan 4.420 nan 0.000 0.265 3594 P C -0.944 176.349 177.300 -0.012 0.000 1.187 3594 P CA -0.197 62.899 63.100 -0.008 0.000 0.766 3594 P CB 0.368 32.066 31.700 -0.005 0.000 0.820 3595 E N 2.812 123.006 120.200 -0.011 0.000 2.417 3595 E HA 0.075 4.426 4.350 0.000 0.000 0.261 3595 E C 0.587 177.179 176.600 -0.013 0.000 1.000 3595 E CA 0.591 56.983 56.400 -0.014 0.000 0.919 3595 E CB -0.049 29.644 29.700 -0.012 0.000 0.955 3595 E HN 0.347 nan 8.360 nan 0.000 0.455 3596 N N 0.593 119.282 118.700 -0.019 0.000 2.990 3596 N HA -0.177 4.563 4.740 0.000 0.000 0.163 3596 N C -0.215 175.283 175.510 -0.020 0.000 1.452 3596 N CA 0.524 53.564 53.050 -0.017 0.000 1.624 3596 N CB -1.038 37.443 38.487 -0.009 0.000 1.088 3596 N HN 0.552 nan 8.380 nan 0.000 0.695 3597 M N 3.008 122.596 119.600 -0.020 0.000 2.248 3597 M HA 0.046 4.526 4.480 0.000 0.000 0.345 3597 M C 0.326 176.597 176.300 -0.048 0.000 1.243 3597 M CA 0.412 55.700 55.300 -0.021 0.000 1.090 3597 M CB 0.458 33.050 32.600 -0.015 0.000 1.683 3597 M HN 0.100 nan 8.290 nan 0.000 0.450 3598 K N 5.158 125.524 120.400 -0.056 0.000 2.164 3598 K HA 0.600 4.920 4.320 0.000 0.000 0.258 3598 K C -1.124 175.371 176.600 -0.174 0.000 0.951 3598 K CA -0.959 55.245 56.287 -0.140 0.000 0.844 3598 K CB 2.028 34.449 32.500 -0.132 0.000 1.099 3598 K HN 0.792 nan 8.250 nan 0.000 0.435 3599 R N 2.649 122.959 120.500 -0.316 0.000 2.673 3599 R HA 0.306 4.646 4.340 0.000 0.000 0.281 3599 R C -1.656 174.363 176.300 -0.467 0.000 0.991 3599 R CA -0.670 55.279 56.100 -0.251 0.000 0.896 3599 R CB 1.319 31.553 30.300 -0.111 0.000 1.201 3599 R HN 0.735 nan 8.270 nan 0.000 0.457 3600 Y N 4.269 124.554 120.300 -0.026 0.000 2.429 3600 Y HA 0.547 5.097 4.550 0.000 0.000 0.342 3600 Y C 0.376 176.258 175.900 -0.028 0.000 1.004 3600 Y CA -0.876 57.204 58.100 -0.033 0.000 1.075 3600 Y CB 2.128 40.559 38.460 -0.048 0.000 1.214 3600 Y HN 0.389 nan 8.280 nan 0.000 0.455 3601 M N 1.084 120.748 119.600 0.105 0.000 2.465 3601 M HA 0.772 5.252 4.480 0.000 0.000 0.284 3601 M C 0.043 176.362 176.300 0.031 0.000 1.212 3601 M CA -0.297 55.032 55.300 0.048 0.000 0.910 3601 M CB 1.274 33.883 32.600 0.015 0.000 1.725 3601 M HN 0.835 nan 8.290 nan 0.000 0.477 3602 G N 3.244 112.051 108.800 0.011 0.000 2.591 3602 G HA2 -0.333 3.627 3.960 0.000 0.000 0.298 3602 G HA3 -0.333 3.627 3.960 0.000 0.000 0.298 3602 G C 0.563 175.457 174.900 -0.010 0.000 1.195 3602 G CA 0.827 45.922 45.100 -0.009 0.000 0.989 3602 G HN 0.944 nan 8.290 nan 0.000 0.551 3603 R N 0.751 121.243 120.500 -0.013 0.000 2.237 3603 R HA 0.050 4.390 4.340 0.000 0.000 0.219 3603 R C 1.961 178.263 176.300 0.004 0.000 1.080 3603 R CA 1.259 57.351 56.100 -0.014 0.000 0.995 3603 R CB -0.197 30.092 30.300 -0.017 0.000 0.875 3603 R HN 0.500 nan 8.270 nan 0.000 0.462 3604 D N 0.588 121.007 120.400 0.030 0.000 2.162 3604 D HA -0.039 4.601 4.640 0.000 0.000 0.203 3604 D C 1.800 178.154 176.300 0.090 0.000 0.967 3604 D CA 1.206 55.253 54.000 0.078 0.000 0.840 3604 D CB -0.118 40.751 40.800 0.115 0.000 0.972 3604 D HN 0.182 nan 8.370 nan 0.000 0.482 3605 A N 0.923 123.791 122.820 0.081 0.000 1.933 3605 A HA -0.184 4.136 4.320 0.000 0.000 0.218 3605 A C 2.076 179.630 177.584 -0.051 0.000 1.175 3605 A CA 1.197 53.257 52.037 0.039 0.000 0.628 3605 A CB -0.317 18.712 19.000 0.049 0.000 0.814 3605 A HN 0.082 nan 8.150 nan 0.000 0.444 3606 Q N -0.804 118.975 119.800 -0.035 0.000 2.123 3606 Q HA -0.135 4.205 4.340 0.000 0.000 0.199 3606 Q C 2.216 178.181 176.000 -0.059 0.000 0.966 3606 Q CA 1.552 57.327 55.803 -0.047 0.000 0.845 3606 Q CB -0.384 28.332 28.738 -0.038 0.000 0.907 3606 Q HN 0.628 nan 8.270 nan 0.000 0.439 3607 R N 1.033 121.502 120.500 -0.051 0.000 2.083 3607 R HA -0.079 4.261 4.340 0.000 0.000 0.237 3607 R C 2.096 178.328 176.300 -0.113 0.000 1.137 3607 R CA 1.487 57.554 56.100 -0.055 0.000 0.951 3607 R CB -0.600 29.687 30.300 -0.023 0.000 0.851 3607 R HN 0.181 nan 8.270 nan 0.000 0.434 3608 M N 0.452 119.929 119.600 -0.206 0.000 2.132 3608 M HA -0.119 4.361 4.480 0.000 0.000 0.263 3608 M C 0.984 177.079 176.300 -0.340 0.000 1.065 3608 M CA 1.793 56.851 55.300 -0.402 0.000 1.122 3608 M CB -0.702 31.402 32.600 -0.827 0.000 1.365 3608 M HN 0.154 nan 8.290 nan 0.000 0.411 3609 N N 0.993 119.550 118.700 -0.239 0.000 2.166 3609 N HA -0.110 4.631 4.740 0.000 0.000 0.186 3609 N C 1.739 177.202 175.510 -0.078 0.000 1.019 3609 N CA 1.333 54.296 53.050 -0.145 0.000 0.856 3609 N CB -0.398 38.031 38.487 -0.096 0.000 0.993 3609 N HN 0.359 nan 8.380 nan 0.000 0.426 3610 I N 1.025 121.557 120.570 -0.065 0.000 2.252 3610 I HA -0.134 4.036 4.170 0.000 0.000 0.245 3610 I C 2.191 178.296 176.117 -0.020 0.000 1.102 3610 I CA 0.682 61.965 61.300 -0.027 0.000 1.385 3610 I CB -1.036 36.953 38.000 -0.019 0.000 1.064 3610 I HN 0.101 nan 8.210 nan 0.000 0.414 3611 L N 0.583 121.784 121.223 -0.038 0.000 2.083 3611 L HA -0.180 4.160 4.340 0.000 0.000 0.209 3611 L C 2.805 179.705 176.870 0.050 0.000 1.083 3611 L CA 1.243 56.080 54.840 -0.005 0.000 0.752 3611 L CB -0.633 41.414 42.059 -0.021 0.000 0.899 3611 L HN 0.183 nan 8.230 nan 0.000 0.433 3612 A N 0.316 123.165 122.820 0.049 0.000 1.858 3612 A HA -0.139 4.181 4.320 0.000 0.000 0.216 3612 A C 2.396 180.029 177.584 0.082 0.000 1.190 3612 A CA 1.866 54.013 52.037 0.184 0.000 0.617 3612 A CB -1.322 17.740 19.000 0.104 0.000 0.827 3612 A HN 0.424 nan 8.150 nan 0.000 0.443 3613 G N -0.910 107.911 108.800 0.035 0.000 2.408 3613 G HA2 -0.189 3.771 3.960 0.000 0.000 0.217 3613 G HA3 -0.189 3.771 3.960 0.000 0.000 0.217 3613 G C 1.700 176.608 174.900 0.013 0.000 1.150 3613 G CA 1.174 46.286 45.100 0.020 0.000 0.776 3613 G HN 0.514 nan 8.290 nan 0.000 0.542 3614 R N 0.515 121.023 120.500 0.013 0.000 2.081 3614 R HA 0.094 4.434 4.340 0.000 0.000 0.235 3614 R C 2.433 178.736 176.300 0.006 0.000 1.131 3614 R CA 1.127 57.231 56.100 0.006 0.000 0.960 3614 R CB -0.591 29.712 30.300 0.006 0.000 0.856 3614 R HN 0.427 nan 8.270 nan 0.000 0.436 3615 I N 0.070 120.649 120.570 0.016 0.000 2.202 3615 I HA -0.249 3.921 4.170 0.000 0.000 0.242 3615 I C 1.785 177.899 176.117 -0.005 0.000 1.091 3615 I CA 0.765 62.069 61.300 0.008 0.000 1.368 3615 I CB -0.266 37.744 38.000 0.016 0.000 1.058 3615 I HN 0.144 nan 8.210 nan 0.000 0.410 3616 I N 1.197 121.766 120.570 -0.002 0.000 2.163 3616 I HA -0.303 3.867 4.170 0.000 0.000 0.243 3616 I C 2.818 178.927 176.117 -0.013 0.000 1.085 3616 I CA 1.916 63.210 61.300 -0.010 0.000 1.347 3616 I CB -1.490 36.507 38.000 -0.005 0.000 1.044 3616 I HN 0.204 nan 8.210 nan 0.000 0.408 3617 A N 0.192 123.006 122.820 -0.010 0.000 1.930 3617 A HA -0.214 4.106 4.320 0.000 0.000 0.217 3617 A C 2.261 179.833 177.584 -0.019 0.000 1.175 3617 A CA 1.682 53.709 52.037 -0.016 0.000 0.627 3617 A CB -0.502 18.488 19.000 -0.017 0.000 0.815 3617 A HN 0.407 nan 8.150 nan 0.000 0.443 3618 E N 0.328 120.519 120.200 -0.015 0.000 2.110 3618 E HA -0.146 4.204 4.350 0.000 0.000 0.193 3618 E C 2.040 178.629 176.600 -0.019 0.000 0.988 3618 E CA 2.222 58.612 56.400 -0.016 0.000 0.804 3618 E CB -0.439 29.254 29.700 -0.011 0.000 0.745 3618 E HN 0.663 nan 8.360 nan 0.000 0.458 3619 T N -2.650 111.893 114.554 -0.019 0.000 2.976 3619 T HA 0.026 4.376 4.350 0.000 0.000 0.257 3619 T C 1.957 176.644 174.700 -0.022 0.000 1.051 3619 T CA 0.806 62.893 62.100 -0.021 0.000 1.141 3619 T CB -0.408 68.447 68.868 -0.023 0.000 0.881 3619 T HN 0.034 nan 8.240 nan 0.000 0.461 3620 V N 2.852 122.753 119.914 -0.021 0.000 2.788 3620 V HA 0.032 4.152 4.120 0.000 0.000 0.251 3620 V C 2.885 178.964 176.094 -0.024 0.000 1.068 3620 V CA 1.415 63.702 62.300 -0.022 0.000 1.090 3620 V CB -0.583 31.228 31.823 -0.020 0.000 0.710 3620 V HN 0.647 nan 8.190 nan 0.000 0.467 3621 R N 0.986 121.470 120.500 -0.026 0.000 2.200 3621 R HA -0.115 4.225 4.340 0.000 0.000 0.234 3621 R C 1.912 178.193 176.300 -0.031 0.000 1.127 3621 R CA 1.771 57.853 56.100 -0.030 0.000 0.989 3621 R CB -1.028 29.253 30.300 -0.031 0.000 0.869 3621 R HN 0.628 nan 8.270 nan 0.000 0.459 3622 S N 0.241 115.924 115.700 -0.029 0.000 2.595 3622 S HA -0.084 4.386 4.470 0.000 0.000 0.235 3622 S C 1.653 176.234 174.600 -0.031 0.000 0.974 3622 S CA 0.874 59.055 58.200 -0.031 0.000 0.942 3622 S CB -0.067 63.117 63.200 -0.028 0.000 0.766 3622 S HN 0.610 nan 8.310 nan 0.000 0.536 3623 T N -1.167 113.370 114.554 -0.029 0.000 3.037 3623 T HA 0.311 4.661 4.350 0.000 0.000 0.251 3623 T C 0.421 175.103 174.700 -0.030 0.000 1.079 3623 T CA -0.476 61.608 62.100 -0.027 0.000 1.067 3623 T CB -0.468 68.386 68.868 -0.022 0.000 0.948 3623 T HN 0.276 nan 8.240 nan 0.000 0.496 3624 L N 2.897 124.100 121.223 -0.034 0.000 2.462 3624 L HA 0.515 4.856 4.340 0.000 0.000 0.272 3624 L C 0.704 177.546 176.870 -0.046 0.000 1.166 3624 L CA 1.618 56.436 54.840 -0.036 0.000 0.880 3624 L CB -0.670 41.367 42.059 -0.038 0.000 1.142 3624 L HN 0.735 nan 8.230 nan 0.000 0.473 3625 G N 4.037 112.812 108.800 -0.042 0.000 2.663 3625 G HA2 -0.147 3.813 3.960 0.000 0.000 0.686 3625 G HA3 -0.147 3.813 3.960 0.000 0.000 0.686 3625 G C -2.098 172.762 174.900 -0.068 0.000 1.288 3625 G CA -0.459 44.606 45.100 -0.058 0.000 0.836 3625 G HN 0.482 nan 8.290 nan 0.000 0.584 3626 P HA -0.016 nan 4.420 nan 0.000 0.218 3626 P C 1.408 178.614 177.300 -0.157 0.000 1.148 3626 P CA 1.494 64.524 63.100 -0.118 0.000 0.822 3626 P CB 0.047 31.577 31.700 -0.283 0.000 0.784 3627 K N -0.692 119.589 120.400 -0.198 0.000 2.446 3627 K HA 0.257 4.577 4.320 0.000 0.000 0.203 3627 K C 0.952 177.497 176.600 -0.090 0.000 1.027 3627 K CA -0.189 56.007 56.287 -0.152 0.000 1.166 3627 K CB -0.373 32.017 32.500 -0.183 0.000 0.869 3627 K HN 0.035 nan 8.250 nan 0.000 0.504 3628 G N 0.377 109.134 108.800 -0.072 0.000 2.569 3628 G HA2 0.222 4.182 3.960 0.000 0.000 0.249 3628 G HA3 0.222 4.182 3.960 0.000 0.000 0.249 3628 G C -0.018 174.860 174.900 -0.038 0.000 1.216 3628 G CA -0.432 44.638 45.100 -0.050 0.000 0.845 3628 G HN -0.029 nan 8.290 nan 0.000 0.568 3629 M N -0.047 119.533 119.600 -0.033 0.000 2.705 3629 M HA 0.408 4.888 4.480 0.000 0.000 0.272 3629 M C -0.690 175.596 176.300 -0.024 0.000 1.172 3629 M CA -0.513 54.771 55.300 -0.027 0.000 0.901 3629 M CB 1.403 33.986 32.600 -0.028 0.000 1.516 3629 M HN 0.389 nan 8.290 nan 0.000 0.530 3630 D N -0.220 120.166 120.400 -0.024 0.000 2.269 3630 D HA 0.474 5.114 4.640 0.000 0.000 0.244 3630 D C -0.977 175.307 176.300 -0.026 0.000 0.992 3630 D CA -0.370 53.616 54.000 -0.024 0.000 0.894 3630 D CB 1.412 42.197 40.800 -0.025 0.000 1.248 3630 D HN 0.098 nan 8.370 nan 0.000 0.468 3631 K N 0.741 121.125 120.400 -0.025 0.000 2.123 3631 K HA 0.611 4.931 4.320 0.000 0.000 0.248 3631 K C -0.807 175.775 176.600 -0.030 0.000 0.969 3631 K CA -0.519 55.753 56.287 -0.026 0.000 0.882 3631 K CB 1.317 33.803 32.500 -0.023 0.000 1.080 3631 K HN 0.364 nan 8.250 nan 0.000 0.441 3632 M N 3.308 122.890 119.600 -0.031 0.000 2.022 3632 M HA 0.327 4.808 4.480 0.000 0.000 0.298 3632 M C -1.706 174.578 176.300 -0.028 0.000 0.909 3632 M CA -0.918 54.361 55.300 -0.036 0.000 0.914 3632 M CB 0.568 33.143 32.600 -0.042 0.000 1.486 3632 M HN 0.308 nan 8.290 nan 0.000 0.415 3633 L N 5.056 126.265 121.223 -0.023 0.000 2.275 3633 L HA 0.563 4.903 4.340 0.000 0.000 0.288 3633 L C -0.680 176.182 176.870 -0.013 0.000 1.046 3633 L CA -0.322 54.507 54.840 -0.017 0.000 0.805 3633 L CB 1.740 43.790 42.059 -0.014 0.000 1.193 3633 L HN 0.360 nan 8.230 nan 0.000 0.426 3634 V N 2.579 122.485 119.914 -0.012 0.000 2.409 3634 V HA 0.349 4.469 4.120 0.000 0.000 0.291 3634 V C -0.058 176.033 176.094 -0.005 0.000 1.020 3634 V CA -0.856 61.439 62.300 -0.008 0.000 0.848 3634 V CB 1.565 33.382 31.823 -0.009 0.000 0.990 3634 V HN 0.633 nan 8.190 nan 0.000 0.430 3635 D N 2.505 122.904 120.400 -0.001 0.000 2.384 3635 D HA 0.045 4.685 4.640 0.000 0.000 0.244 3635 D C 1.021 177.320 176.300 -0.001 0.000 1.251 3635 D CA -0.114 53.886 54.000 -0.001 0.000 0.961 3635 D CB 1.274 42.076 40.800 0.002 0.000 1.116 3635 D HN 0.704 nan 8.370 nan 0.000 0.484 3636 D N -0.478 119.921 120.400 -0.001 0.000 2.263 3636 D HA -0.116 4.524 4.640 0.000 0.000 0.208 3636 D C 1.530 177.830 176.300 0.001 0.000 0.971 3636 D CA 0.832 54.831 54.000 -0.001 0.000 0.867 3636 D CB 0.116 40.916 40.800 -0.001 0.000 0.929 3636 D HN 0.118 nan 8.370 nan 0.000 0.492 3637 L N -1.169 120.055 121.223 0.002 0.000 2.509 3637 L HA 0.344 4.684 4.340 0.000 0.000 0.222 3637 L C 2.047 178.920 176.870 0.005 0.000 1.123 3637 L CA 0.997 55.839 54.840 0.003 0.000 0.856 3637 L CB 0.135 42.197 42.059 0.004 0.000 0.985 3637 L HN 0.268 nan 8.230 nan 0.000 0.456 3638 G N -1.539 107.264 108.800 0.004 0.000 2.201 3638 G HA2 -0.248 3.712 3.960 0.000 0.000 0.212 3638 G HA3 -0.248 3.712 3.960 0.000 0.000 0.212 3638 G C 0.281 175.187 174.900 0.009 0.000 0.994 3638 G CA 0.069 45.172 45.100 0.006 0.000 0.644 3638 G HN 0.317 nan 8.290 nan 0.000 0.508 3639 D N 1.195 121.602 120.400 0.011 0.000 2.487 3639 D HA 0.355 4.995 4.640 0.000 0.000 0.243 3639 D C 0.460 176.770 176.300 0.017 0.000 1.154 3639 D CA 0.390 54.401 54.000 0.018 0.000 0.876 3639 D CB 1.056 41.867 40.800 0.017 0.000 1.161 3639 D HN 0.257 nan 8.370 nan 0.000 0.478 3640 V N 4.940 124.870 119.914 0.027 0.000 2.398 3640 V HA 0.377 4.497 4.120 0.000 0.000 0.286 3640 V C 0.115 176.225 176.094 0.026 0.000 1.026 3640 V CA -0.827 61.482 62.300 0.014 0.000 0.868 3640 V CB 1.684 33.508 31.823 0.002 0.000 0.982 3640 V HN 0.401 nan 8.190 nan 0.000 0.443 3641 V N 6.415 126.331 119.914 0.004 0.000 2.656 3641 V HA 0.675 4.795 4.120 0.000 0.000 0.307 3641 V C -0.774 175.305 176.094 -0.025 0.000 1.051 3641 V CA -0.294 62.012 62.300 0.009 0.000 0.893 3641 V CB 2.341 34.173 31.823 0.016 0.000 0.999 3641 V HN 0.622 nan 8.190 nan 0.000 0.426 3642 V N 5.812 125.703 119.914 -0.038 0.000 2.409 3642 V HA 0.781 4.901 4.120 0.000 0.000 0.291 3642 V C 0.014 176.095 176.094 -0.021 0.000 1.020 3642 V CA -0.087 62.181 62.300 -0.054 0.000 0.848 3642 V CB 1.555 33.313 31.823 -0.108 0.000 0.990 3642 V HN 1.038 nan 8.190 nan 0.000 0.430 3643 T N 2.546 117.089 114.554 -0.018 0.000 2.802 3643 T HA 0.322 4.673 4.350 0.000 0.000 0.311 3643 T C 0.080 174.773 174.700 -0.012 0.000 1.405 3643 T CA -0.378 61.717 62.100 -0.008 0.000 1.016 3643 T CB 2.028 70.895 68.868 -0.002 0.000 1.352 3643 T HN 0.661 nan 8.240 nan 0.000 0.498 3644 N N 1.183 119.879 118.700 -0.008 0.000 2.210 3644 N HA 0.074 4.814 4.740 0.000 0.000 0.203 3644 N C -0.313 175.192 175.510 -0.008 0.000 1.175 3644 N CA -0.006 53.038 53.050 -0.010 0.000 0.894 3644 N CB 0.475 38.958 38.487 -0.008 0.000 1.041 3644 N HN 0.691 nan 8.380 nan 0.000 0.506 3645 D N -0.059 120.338 120.400 -0.005 0.000 2.371 3645 D HA 0.202 4.842 4.640 0.000 0.000 0.256 3645 D C 1.484 177.780 176.300 -0.007 0.000 1.193 3645 D CA 0.207 54.204 54.000 -0.004 0.000 0.881 3645 D CB 1.038 41.838 40.800 -0.001 0.000 1.143 3645 D HN 0.263 nan 8.370 nan 0.000 0.473 3646 G N 2.652 111.447 108.800 -0.008 0.000 2.440 3646 G HA2 -0.245 3.715 3.960 0.000 0.000 0.218 3646 G HA3 -0.245 3.715 3.960 0.000 0.000 0.218 3646 G C 1.532 176.427 174.900 -0.008 0.000 1.154 3646 G CA 0.756 45.850 45.100 -0.010 0.000 0.767 3646 G HN 0.490 nan 8.290 nan 0.000 0.552 3647 V N 0.841 120.751 119.914 -0.005 0.000 2.261 3647 V HA -0.185 3.935 4.120 0.000 0.000 0.246 3647 V C 3.185 179.277 176.094 -0.004 0.000 1.047 3647 V CA 2.421 64.719 62.300 -0.004 0.000 1.015 3647 V CB -0.912 30.909 31.823 -0.002 0.000 0.642 3647 V HN 0.408 nan 8.190 nan 0.000 0.446 3648 T N 0.311 114.863 114.554 -0.003 0.000 2.684 3648 T HA -0.169 4.181 4.350 0.000 0.000 0.267 3648 T C 1.805 176.502 174.700 -0.005 0.000 1.036 3648 T CA 1.917 64.016 62.100 -0.002 0.000 1.148 3648 T CB -0.315 68.553 68.868 -0.000 0.000 0.863 3648 T HN 0.339 nan 8.240 nan 0.000 0.436 3649 I N 0.321 120.886 120.570 -0.007 0.000 2.179 3649 I HA -0.149 4.021 4.170 0.000 0.000 0.242 3649 I C 2.101 178.211 176.117 -0.012 0.000 1.088 3649 I CA 1.002 62.295 61.300 -0.011 0.000 1.357 3649 I CB -0.282 37.710 38.000 -0.013 0.000 1.051 3649 I HN 0.160 nan 8.210 nan 0.000 0.409 3650 L N 0.112 121.329 121.223 -0.010 0.000 2.109 3650 L HA -0.089 4.251 4.340 0.000 0.000 0.207 3650 L C 2.502 179.366 176.870 -0.008 0.000 1.086 3650 L CA 1.505 56.339 54.840 -0.011 0.000 0.760 3650 L CB -0.945 41.109 42.059 -0.008 0.000 0.910 3650 L HN 0.147 nan 8.230 nan 0.000 0.437 3651 R N -0.142 120.355 120.500 -0.006 0.000 2.075 3651 R HA -0.108 4.232 4.340 0.000 0.000 0.232 3651 R C 1.892 178.189 176.300 -0.005 0.000 1.126 3651 R CA 1.238 57.335 56.100 -0.004 0.000 0.963 3651 R CB 0.092 30.391 30.300 -0.002 0.000 0.858 3651 R HN 0.337 nan 8.270 nan 0.000 0.435 3652 E N 0.886 121.082 120.200 -0.006 0.000 2.086 3652 E HA -0.052 4.298 4.350 0.000 0.000 0.190 3652 E C 1.282 177.877 176.600 -0.009 0.000 0.975 3652 E CA 0.467 56.864 56.400 -0.006 0.000 0.813 3652 E CB -0.359 29.339 29.700 -0.004 0.000 0.768 3652 E HN 0.448 nan 8.360 nan 0.000 0.457 3653 M N -0.020 119.572 119.600 -0.013 0.000 2.240 3653 M HA 0.102 4.582 4.480 0.000 0.000 0.317 3653 M C 0.498 176.786 176.300 -0.020 0.000 1.087 3653 M CA 0.330 55.619 55.300 -0.018 0.000 1.176 3653 M CB 0.570 33.156 32.600 -0.024 0.000 1.439 3653 M HN -0.260 nan 8.290 nan 0.000 0.452 3654 S N 2.319 118.004 115.700 -0.025 0.000 2.473 3654 S HA 0.430 4.900 4.470 0.000 0.000 0.312 3654 S C -0.652 173.924 174.600 -0.041 0.000 1.087 3654 S CA -0.801 57.384 58.200 -0.026 0.000 1.077 3654 S CB -0.236 62.951 63.200 -0.022 0.000 1.065 3654 S HN 0.521 nan 8.310 nan 0.000 0.510 3655 V N 5.071 124.964 119.914 -0.036 0.000 2.546 3655 V HA 0.332 4.452 4.120 0.000 0.000 0.284 3655 V C 1.118 177.188 176.094 -0.041 0.000 1.050 3655 V CA -0.229 62.041 62.300 -0.051 0.000 0.981 3655 V CB 1.513 33.317 31.823 -0.031 0.000 0.990 3655 V HN 0.913 nan 8.190 nan 0.000 0.474 3656 E N 2.478 122.633 120.200 -0.076 0.000 2.256 3656 E HA 0.075 4.426 4.350 0.000 0.000 0.198 3656 E C 0.579 177.227 176.600 0.080 0.000 0.908 3656 E CA 0.436 56.824 56.400 -0.019 0.000 0.915 3656 E CB 0.121 29.793 29.700 -0.046 0.000 0.890 3656 E HN 0.821 nan 8.360 nan 0.000 0.484 3657 H N 1.018 120.074 119.070 -0.023 0.000 2.848 3657 H HA 0.065 4.621 4.556 -0.000 0.000 0.317 3657 H C -1.752 173.554 175.328 -0.035 0.000 1.046 3657 H CA -1.631 54.389 56.048 -0.046 0.000 1.470 3657 H CB 1.368 31.089 29.762 -0.069 0.000 1.483 3657 H HN 0.155 nan 8.280 nan 0.000 0.548 3658 P HA -0.200 nan 4.420 nan 0.000 0.215 3658 P C 1.266 178.581 177.300 0.024 0.000 1.153 3658 P CA 1.503 64.625 63.100 0.036 0.000 0.853 3658 P CB 0.215 31.925 31.700 0.018 0.000 0.788 3659 A N -0.022 122.802 122.820 0.007 0.000 1.930 3659 A HA -0.074 4.246 4.320 0.000 0.000 0.217 3659 A C 2.316 179.914 177.584 0.024 0.000 1.175 3659 A CA 1.934 53.971 52.037 0.001 0.000 0.627 3659 A CB -1.566 17.415 19.000 -0.032 0.000 0.815 3659 A HN 0.188 nan 8.150 nan 0.000 0.443 3660 A N 0.073 122.924 122.820 0.052 0.000 1.933 3660 A HA -0.163 4.157 4.320 0.000 0.000 0.218 3660 A C 2.052 179.650 177.584 0.023 0.000 1.175 3660 A CA 1.753 53.815 52.037 0.041 0.000 0.628 3660 A CB -0.424 18.605 19.000 0.047 0.000 0.814 3660 A HN 0.553 nan 8.150 nan 0.000 0.444 3661 K N -0.954 119.462 120.400 0.026 0.000 2.209 3661 K HA -0.056 4.264 4.320 0.000 0.000 0.204 3661 K C 1.820 178.429 176.600 0.015 0.000 1.048 3661 K CA 1.209 57.507 56.287 0.017 0.000 0.940 3661 K CB -0.189 32.323 32.500 0.020 0.000 0.729 3661 K HN 0.387 nan 8.250 nan 0.000 0.451 3662 M N 0.378 119.987 119.600 0.016 0.000 2.236 3662 M HA -0.041 4.439 4.480 0.000 0.000 0.266 3662 M C 2.177 178.486 176.300 0.014 0.000 1.070 3662 M CA 1.137 56.446 55.300 0.015 0.000 1.137 3662 M CB -0.663 31.946 32.600 0.015 0.000 1.378 3662 M HN 0.176 nan 8.290 nan 0.000 0.426 3663 L N 0.328 121.559 121.223 0.014 0.000 2.131 3663 L HA -0.197 4.143 4.340 0.000 0.000 0.210 3663 L C 2.249 179.124 176.870 0.008 0.000 1.092 3663 L CA 0.888 55.735 54.840 0.012 0.000 0.759 3663 L CB -0.219 41.846 42.059 0.011 0.000 0.903 3663 L HN 0.187 nan 8.230 nan 0.000 0.435 3664 I N -0.241 120.333 120.570 0.007 0.000 2.248 3664 I HA -0.350 3.820 4.170 0.000 0.000 0.248 3664 I C 2.376 178.496 176.117 0.005 0.000 1.107 3664 I CA 1.329 62.632 61.300 0.004 0.000 1.373 3664 I CB -0.212 37.790 38.000 0.003 0.000 1.055 3664 I HN 0.305 nan 8.210 nan 0.000 0.418 3665 E N 0.599 120.803 120.200 0.007 0.000 2.153 3665 E HA -0.153 4.197 4.350 0.000 0.000 0.194 3665 E C 2.135 178.740 176.600 0.008 0.000 0.988 3665 E CA 0.963 57.368 56.400 0.008 0.000 0.811 3665 E CB 0.003 29.709 29.700 0.010 0.000 0.746 3665 E HN 0.265 nan 8.360 nan 0.000 0.466 3666 V N 0.558 120.478 119.914 0.009 0.000 2.295 3666 V HA -0.287 3.833 4.120 0.000 0.000 0.246 3666 V C 2.304 178.401 176.094 0.004 0.000 1.049 3666 V CA 1.891 64.197 62.300 0.009 0.000 1.024 3666 V CB -0.895 30.934 31.823 0.010 0.000 0.648 3666 V HN 0.444 nan 8.190 nan 0.000 0.447 3667 A N -0.492 122.330 122.820 0.002 0.000 1.972 3667 A HA -0.220 4.100 4.320 0.000 0.000 0.219 3667 A C 2.280 179.864 177.584 0.000 0.000 1.169 3667 A CA 1.845 53.882 52.037 -0.001 0.000 0.635 3667 A CB -0.403 18.596 19.000 -0.002 0.000 0.810 3667 A HN 0.557 nan 8.150 nan 0.000 0.446 3668 K N -0.534 119.867 120.400 0.002 0.000 2.097 3668 K HA -0.101 4.219 4.320 0.000 0.000 0.205 3668 K C 2.188 178.790 176.600 0.002 0.000 1.050 3668 K CA 1.727 58.015 56.287 0.002 0.000 0.938 3668 K CB -0.304 32.197 32.500 0.003 0.000 0.718 3668 K HN 0.729 nan 8.250 nan 0.000 0.442 3669 T N -1.302 113.254 114.554 0.004 0.000 2.951 3669 T HA -0.138 4.212 4.350 0.000 0.000 0.268 3669 T C 1.985 176.687 174.700 0.003 0.000 1.073 3669 T CA 0.817 62.919 62.100 0.004 0.000 1.134 3669 T CB -0.001 68.871 68.868 0.006 0.000 0.884 3669 T HN 0.034 nan 8.240 nan 0.000 0.479 3670 Q N 1.208 121.010 119.800 0.002 0.000 2.079 3670 Q HA -0.067 4.273 4.340 0.000 0.000 0.200 3670 Q C 2.439 178.439 176.000 0.001 0.000 0.974 3670 Q CA 1.450 57.254 55.803 0.001 0.000 0.840 3670 Q CB -0.398 28.340 28.738 -0.000 0.000 0.898 3670 Q HN 0.523 nan 8.270 nan 0.000 0.430 3671 E N -0.084 120.116 120.200 0.000 0.000 2.085 3671 E HA -0.205 4.145 4.350 0.000 0.000 0.194 3671 E C 1.613 178.212 176.600 -0.000 0.000 0.994 3671 E CA 1.149 57.549 56.400 -0.000 0.000 0.801 3671 E CB 0.158 29.857 29.700 -0.001 0.000 0.743 3671 E HN 0.233 nan 8.360 nan 0.000 0.453 3672 K N 0.378 120.779 120.400 0.000 0.000 2.031 3672 K HA -0.133 4.187 4.320 0.000 0.000 0.205 3672 K C 2.129 178.729 176.600 0.000 0.000 1.049 3672 K CA 1.071 57.358 56.287 -0.000 0.000 0.939 3672 K CB -0.280 32.220 32.500 0.000 0.000 0.717 3672 K HN 0.051 nan 8.250 nan 0.000 0.438 3673 E N 0.839 121.039 120.200 0.001 0.000 2.076 3673 E HA -0.107 4.243 4.350 0.000 0.000 0.190 3673 E C 1.719 178.320 176.600 0.001 0.000 0.979 3673 E CA 1.299 57.700 56.400 0.001 0.000 0.807 3673 E CB 0.285 29.987 29.700 0.002 0.000 0.761 3673 E HN 0.088 nan 8.360 nan 0.000 0.454 3674 V N -4.932 114.983 119.914 0.001 0.000 3.473 3674 V HA 0.584 4.704 4.120 0.000 0.000 0.253 3674 V C 1.484 177.579 176.094 0.001 0.000 1.340 3674 V CA 0.850 63.151 62.300 0.001 0.000 1.103 3674 V CB 0.451 32.275 31.823 0.002 0.000 0.881 3674 V HN 0.340 nan 8.190 nan 0.000 0.451 3675 G N 0.686 109.486 108.800 0.000 0.000 3.586 3675 G HA2 -0.265 3.695 3.960 0.000 0.000 0.212 3675 G HA3 -0.265 3.695 3.960 0.000 0.000 0.212 3675 G C 0.166 175.066 174.900 0.001 0.000 1.411 3675 G CA 0.468 45.568 45.100 0.000 0.000 0.898 3675 G HN 0.654 nan 8.290 nan 0.000 0.575 3676 D N 1.167 121.568 120.400 0.002 0.000 2.478 3676 D HA 0.480 5.120 4.640 0.000 0.000 0.269 3676 D C 1.537 177.837 176.300 0.000 0.000 1.232 3676 D CA 1.219 55.220 54.000 0.002 0.000 1.059 3676 D CB 0.616 41.419 40.800 0.005 0.000 1.104 3676 D HN 1.611 nan 8.370 nan 0.000 0.566 3677 G N -0.343 108.456 108.800 -0.001 0.000 2.153 3677 G HA2 -0.326 3.634 3.960 0.000 0.000 0.252 3677 G HA3 -0.326 3.634 3.960 0.000 0.000 0.252 3677 G C 1.037 175.933 174.900 -0.008 0.000 0.994 3677 G CA 1.516 46.612 45.100 -0.005 0.000 0.698 3677 G HN 0.584 nan 8.290 nan 0.000 0.521 3678 T N -2.946 111.604 114.554 -0.006 0.000 2.746 3678 T HA -0.113 4.237 4.350 0.000 0.000 0.267 3678 T C 2.215 176.909 174.700 -0.010 0.000 1.039 3678 T CA 2.421 64.517 62.100 -0.007 0.000 1.142 3678 T CB -0.564 68.300 68.868 -0.005 0.000 0.866 3678 T HN 0.308 nan 8.240 nan 0.000 0.444 3679 T N 2.007 116.554 114.554 -0.013 0.000 2.737 3679 T HA -0.086 4.264 4.350 0.000 0.000 0.265 3679 T C 2.280 176.967 174.700 -0.022 0.000 1.038 3679 T CA 1.816 63.906 62.100 -0.017 0.000 1.144 3679 T CB -0.989 67.868 68.868 -0.019 0.000 0.866 3679 T HN 0.518 nan 8.240 nan 0.000 0.434 3680 T N 2.233 116.773 114.554 -0.022 0.000 2.665 3680 T HA -0.135 4.215 4.350 0.000 0.000 0.268 3680 T C 2.371 177.052 174.700 -0.032 0.000 1.035 3680 T CA 1.334 63.417 62.100 -0.029 0.000 1.151 3680 T CB -0.630 68.223 68.868 -0.025 0.000 0.862 3680 T HN 0.447 nan 8.240 nan 0.000 0.438 3681 A N 0.759 123.565 122.820 -0.023 0.000 1.940 3681 A HA -0.057 4.263 4.320 0.000 0.000 0.219 3681 A C 2.592 180.162 177.584 -0.023 0.000 1.176 3681 A CA 1.453 53.478 52.037 -0.021 0.000 0.631 3681 A CB -0.909 18.084 19.000 -0.011 0.000 0.814 3681 A HN 0.386 nan 8.150 nan 0.000 0.446 3682 V N -0.653 119.248 119.914 -0.020 0.000 2.379 3682 V HA -0.178 3.942 4.120 0.000 0.000 0.245 3682 V C 2.552 178.629 176.094 -0.028 0.000 1.044 3682 V CA 1.734 64.023 62.300 -0.019 0.000 1.036 3682 V CB -0.629 31.185 31.823 -0.015 0.000 0.664 3682 V HN 0.363 nan 8.190 nan 0.000 0.453 3683 V N -0.449 119.444 119.914 -0.034 0.000 2.295 3683 V HA -0.218 3.902 4.120 0.000 0.000 0.246 3683 V C 2.465 178.523 176.094 -0.059 0.000 1.049 3683 V CA 2.129 64.403 62.300 -0.043 0.000 1.024 3683 V CB -0.377 31.420 31.823 -0.044 0.000 0.648 3683 V HN 0.425 nan 8.190 nan 0.000 0.447 3684 V N -0.019 119.851 119.914 -0.072 0.000 2.515 3684 V HA -0.183 3.937 4.120 0.000 0.000 0.250 3684 V C 2.525 178.548 176.094 -0.118 0.000 1.058 3684 V CA 1.998 64.231 62.300 -0.112 0.000 1.064 3684 V CB -0.277 31.472 31.823 -0.124 0.000 0.675 3684 V HN 0.522 nan 8.190 nan 0.000 0.461 3685 A N -0.139 122.639 122.820 -0.071 0.000 1.898 3685 A HA 0.004 4.324 4.320 0.000 0.000 0.216 3685 A C 2.342 179.910 177.584 -0.027 0.000 1.181 3685 A CA 1.701 53.714 52.037 -0.041 0.000 0.620 3685 A CB -1.231 17.762 19.000 -0.012 0.000 0.819 3685 A HN 0.599 nan 8.150 nan 0.000 0.442 3686 G N -0.492 108.290 108.800 -0.029 0.000 2.408 3686 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 3686 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 3686 G C 1.461 176.347 174.900 -0.024 0.000 1.150 3686 G CA 1.285 46.375 45.100 -0.018 0.000 0.776 3686 G HN 0.583 nan 8.290 nan 0.000 0.542 3687 E N 0.252 120.421 120.200 -0.051 0.000 2.107 3687 E HA 0.040 4.390 4.350 0.000 0.000 0.191 3687 E C 2.454 179.014 176.600 -0.067 0.000 0.982 3687 E CA 0.435 56.797 56.400 -0.063 0.000 0.809 3687 E CB -0.351 29.293 29.700 -0.093 0.000 0.756 3687 E HN 0.416 nan 8.360 nan 0.000 0.459 3688 L N 0.032 121.195 121.223 -0.100 0.000 2.083 3688 L HA -0.160 4.180 4.340 0.000 0.000 0.209 3688 L C 2.373 179.305 176.870 0.104 0.000 1.083 3688 L CA 0.948 55.731 54.840 -0.096 0.000 0.752 3688 L CB -0.336 41.617 42.059 -0.176 0.000 0.899 3688 L HN 0.249 nan 8.230 nan 0.000 0.433 3689 L N -0.863 120.406 121.223 0.077 0.000 2.156 3689 L HA -0.166 4.174 4.340 0.000 0.000 0.208 3689 L C 2.732 179.638 176.870 0.061 0.000 1.095 3689 L CA 0.612 55.505 54.840 0.088 0.000 0.770 3689 L CB -0.387 41.702 42.059 0.049 0.000 0.914 3689 L HN 0.202 nan 8.230 nan 0.000 0.439 3690 R N 0.902 121.422 120.500 0.034 0.000 2.081 3690 R HA -0.169 4.171 4.340 0.000 0.000 0.235 3690 R C 2.116 178.440 176.300 0.040 0.000 1.131 3690 R CA 1.593 57.707 56.100 0.023 0.000 0.960 3690 R CB -0.098 30.203 30.300 0.003 0.000 0.856 3690 R HN 0.008 nan 8.270 nan 0.000 0.436 3691 K N -0.235 120.200 120.400 0.059 0.000 2.155 3691 K HA 0.144 4.464 4.320 0.000 0.000 0.203 3691 K C 1.817 178.501 176.600 0.141 0.000 1.052 3691 K CA 1.305 57.646 56.287 0.090 0.000 0.948 3691 K CB -0.283 32.270 32.500 0.088 0.000 0.728 3691 K HN 0.292 nan 8.250 nan 0.000 0.448 3692 A N 0.750 123.683 122.820 0.187 0.000 1.902 3692 A HA -0.218 4.102 4.320 0.000 0.000 0.217 3692 A C 2.122 179.732 177.584 0.042 0.000 1.181 3692 A CA 1.808 53.928 52.037 0.137 0.000 0.623 3692 A CB -0.480 18.609 19.000 0.148 0.000 0.818 3692 A HN 0.442 nan 8.150 nan 0.000 0.443 3693 E N -0.321 119.902 120.200 0.039 0.000 2.110 3693 E HA -0.215 4.135 4.350 0.000 0.000 0.193 3693 E C 1.723 178.330 176.600 0.012 0.000 0.988 3693 E CA 1.240 57.648 56.400 0.013 0.000 0.804 3693 E CB -0.056 29.650 29.700 0.010 0.000 0.745 3693 E HN 0.563 nan 8.360 nan 0.000 0.458 3694 E N 0.224 120.440 120.200 0.026 0.000 2.106 3694 E HA -0.160 4.190 4.350 0.000 0.000 0.192 3694 E C 2.088 178.702 176.600 0.022 0.000 0.984 3694 E CA 0.556 56.970 56.400 0.024 0.000 0.806 3694 E CB -0.073 29.646 29.700 0.031 0.000 0.750 3694 E HN 0.274 nan 8.360 nan 0.000 0.458 3695 L N 0.437 121.678 121.223 0.029 0.000 2.156 3695 L HA -0.086 4.254 4.340 0.000 0.000 0.208 3695 L C 2.383 179.249 176.870 -0.006 0.000 1.095 3695 L CA 1.049 55.901 54.840 0.020 0.000 0.770 3695 L CB -0.672 41.404 42.059 0.028 0.000 0.914 3695 L HN 0.084 nan 8.230 nan 0.000 0.439 3696 L N -0.963 120.249 121.223 -0.019 0.000 2.093 3696 L HA -0.187 4.153 4.340 0.000 0.000 0.208 3696 L C 1.981 178.837 176.870 -0.024 0.000 1.085 3696 L CA 0.910 55.729 54.840 -0.035 0.000 0.755 3696 L CB -0.525 41.509 42.059 -0.042 0.000 0.904 3696 L HN 0.232 nan 8.230 nan 0.000 0.435 3697 D N -0.567 119.826 120.400 -0.011 0.000 2.224 3697 D HA -0.133 4.507 4.640 0.000 0.000 0.205 3697 D C 2.017 178.316 176.300 -0.002 0.000 0.965 3697 D CA 0.804 54.801 54.000 -0.006 0.000 0.852 3697 D CB -0.030 40.770 40.800 -0.000 0.000 0.947 3697 D HN 0.262 nan 8.370 nan 0.000 0.494 3698 Q N 0.467 120.269 119.800 0.002 0.000 2.415 3698 Q HA -0.007 4.333 4.340 0.000 0.000 0.206 3698 Q C 0.048 176.051 176.000 0.005 0.000 0.946 3698 Q CA 0.011 55.818 55.803 0.007 0.000 0.951 3698 Q CB -0.159 28.588 28.738 0.015 0.000 1.026 3698 Q HN 0.176 nan 8.270 nan 0.000 0.510 3699 N N -0.340 118.358 118.700 -0.002 0.000 2.754 3699 N HA -0.155 4.585 4.740 0.000 0.000 0.248 3699 N C -1.365 174.149 175.510 0.008 0.000 1.093 3699 N CA 0.301 53.350 53.050 -0.002 0.000 0.699 3699 N CB -1.298 37.192 38.487 0.005 0.000 1.016 3699 N HN -0.029 nan 8.380 nan 0.000 0.552 3700 V N 2.113 122.028 119.914 0.001 0.000 2.385 3700 V HA 0.129 4.249 4.120 0.000 0.000 0.269 3700 V C 1.002 177.098 176.094 0.004 0.000 1.043 3700 V CA -0.798 61.510 62.300 0.014 0.000 0.906 3700 V CB 1.030 32.856 31.823 0.005 0.000 0.995 3700 V HN 0.347 nan 8.190 nan 0.000 0.467 3701 H N 8.246 127.299 119.070 -0.028 0.000 3.094 3701 H HA 0.016 4.573 4.556 0.000 0.000 0.320 3701 H C -1.667 173.633 175.328 -0.046 0.000 1.000 3701 H CA -1.054 54.976 56.048 -0.030 0.000 1.413 3701 H CB 1.574 31.321 29.762 -0.025 0.000 1.405 3701 H HN 0.385 nan 8.280 nan 0.000 0.586 3702 P HA -0.187 nan 4.420 nan 0.000 0.217 3702 P C 1.428 178.749 177.300 0.035 0.000 1.148 3702 P CA 2.563 65.595 63.100 -0.113 0.000 0.834 3702 P CB 0.026 31.619 31.700 -0.178 0.000 0.783 3703 T N -4.236 110.480 114.554 0.270 0.000 2.995 3703 T HA -0.034 4.316 4.350 0.000 0.000 0.269 3703 T C 1.702 176.436 174.700 0.056 0.000 1.091 3703 T CA 0.653 62.841 62.100 0.146 0.000 1.128 3703 T CB -0.753 68.188 68.868 0.122 0.000 0.891 3703 T HN -0.082 nan 8.240 nan 0.000 0.492 3704 I N 1.194 121.807 120.570 0.072 0.000 2.333 3704 I HA 0.010 4.180 4.170 0.000 0.000 0.246 3704 I C 2.657 178.747 176.117 -0.044 0.000 1.106 3704 I CA 0.501 61.810 61.300 0.014 0.000 1.411 3704 I CB -1.104 36.916 38.000 0.033 0.000 1.082 3704 I HN 0.175 nan 8.210 nan 0.000 0.420 3705 V N 1.546 121.399 119.914 -0.102 0.000 2.295 3705 V HA -0.219 3.901 4.120 0.000 0.000 0.246 3705 V C 2.732 178.570 176.094 -0.426 0.000 1.049 3705 V CA 1.992 64.115 62.300 -0.295 0.000 1.024 3705 V CB -0.800 30.827 31.823 -0.326 0.000 0.648 3705 V HN 0.414 nan 8.190 nan 0.000 0.447 3706 V N -0.888 118.890 119.914 -0.226 0.000 2.667 3706 V HA -0.106 4.014 4.120 0.000 0.000 0.252 3706 V C 2.361 178.437 176.094 -0.030 0.000 1.065 3706 V CA 2.116 64.342 62.300 -0.123 0.000 1.083 3706 V CB -0.685 31.106 31.823 -0.053 0.000 0.692 3706 V HN 0.493 nan 8.190 nan 0.000 0.468 3707 K N 2.234 122.618 120.400 -0.027 0.000 2.025 3707 K HA 0.097 4.417 4.320 0.000 0.000 0.207 3707 K C 2.136 178.754 176.600 0.029 0.000 1.049 3707 K CA 2.082 58.371 56.287 0.004 0.000 0.933 3707 K CB -1.326 31.174 32.500 -0.001 0.000 0.714 3707 K HN 0.435 nan 8.250 nan 0.000 0.438 3708 G N -0.751 108.074 108.800 0.042 0.000 2.422 3708 G HA2 -0.216 3.744 3.960 0.000 0.000 0.218 3708 G HA3 -0.216 3.744 3.960 0.000 0.000 0.218 3708 G C 1.170 176.173 174.900 0.172 0.000 1.146 3708 G CA 0.827 45.997 45.100 0.117 0.000 0.769 3708 G HN 0.290 nan 8.290 nan 0.000 0.547 3709 Y N 0.312 120.562 120.300 -0.083 0.000 2.314 3709 Y HA -0.014 4.536 4.550 0.000 0.000 0.293 3709 Y C 2.860 178.581 175.900 -0.298 0.000 1.129 3709 Y CA 0.897 58.875 58.100 -0.203 0.000 1.201 3709 Y CB -0.784 37.718 38.460 0.070 0.000 0.999 3709 Y HN 0.261 nan 8.280 nan 0.000 0.541 3710 Q N 0.383 120.204 119.800 0.035 0.000 2.079 3710 Q HA -0.056 4.285 4.340 0.000 0.000 0.200 3710 Q C 2.356 178.310 176.000 -0.077 0.000 0.974 3710 Q CA 1.753 57.547 55.803 -0.015 0.000 0.840 3710 Q CB -0.473 28.275 28.738 0.015 0.000 0.898 3710 Q HN 0.324 nan 8.270 nan 0.000 0.430 3711 A N 0.252 123.047 122.820 -0.041 0.000 1.873 3711 A HA -0.003 4.318 4.320 0.000 0.000 0.215 3711 A C 2.271 179.788 177.584 -0.112 0.000 1.186 3711 A CA 1.868 53.911 52.037 0.010 0.000 0.616 3711 A CB -1.143 17.942 19.000 0.141 0.000 0.823 3711 A HN 0.499 nan 8.150 nan 0.000 0.442 3712 A N -0.341 122.317 122.820 -0.270 0.000 1.930 3712 A HA 0.249 4.569 4.320 0.000 0.000 0.217 3712 A C 2.443 179.622 177.584 -0.676 0.000 1.175 3712 A CA 1.819 53.541 52.037 -0.526 0.000 0.627 3712 A CB -0.842 17.680 19.000 -0.796 0.000 0.815 3712 A HN 0.990 nan 8.150 nan 0.000 0.443 3713 A N -1.150 121.225 122.820 -0.742 0.000 1.930 3713 A HA -0.124 4.197 4.320 0.000 0.000 0.217 3713 A C 2.093 179.581 177.584 -0.160 0.000 1.175 3713 A CA 1.446 53.297 52.037 -0.309 0.000 0.627 3713 A CB -0.378 18.531 19.000 -0.152 0.000 0.815 3713 A HN 0.461 nan 8.150 nan 0.000 0.443 3714 Q N -0.294 119.401 119.800 -0.175 0.000 2.124 3714 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 3714 Q C 2.004 177.902 176.000 -0.170 0.000 0.977 3714 Q CA 1.819 57.546 55.803 -0.126 0.000 0.850 3714 Q CB -0.302 28.381 28.738 -0.091 0.000 0.901 3714 Q HN 0.619 nan 8.270 nan 0.000 0.429 3715 K N 0.886 121.107 120.400 -0.299 0.000 2.103 3715 K HA 0.028 4.348 4.320 0.000 0.000 0.204 3715 K C 1.844 178.317 176.600 -0.211 0.000 1.052 3715 K CA 1.175 57.237 56.287 -0.376 0.000 0.945 3715 K CB -0.414 31.592 32.500 -0.823 0.000 0.722 3715 K HN 0.111 nan 8.250 nan 0.000 0.443 3716 A N 0.355 123.085 122.820 -0.150 0.000 1.933 3716 A HA -0.207 4.113 4.320 0.000 0.000 0.218 3716 A C 2.150 179.719 177.584 -0.025 0.000 1.175 3716 A CA 1.846 53.863 52.037 -0.033 0.000 0.628 3716 A CB -0.653 18.399 19.000 0.086 0.000 0.814 3716 A HN 0.456 nan 8.150 nan 0.000 0.444 3717 Q N 0.095 119.871 119.800 -0.040 0.000 2.084 3717 Q HA -0.183 4.157 4.340 0.000 0.000 0.202 3717 Q C 1.951 177.932 176.000 -0.032 0.000 0.978 3717 Q CA 2.251 58.038 55.803 -0.027 0.000 0.844 3717 Q CB -0.352 28.369 28.738 -0.028 0.000 0.898 3717 Q HN 0.763 nan 8.270 nan 0.000 0.426 3718 E N -0.591 119.578 120.200 -0.053 0.000 2.077 3718 E HA -0.170 4.180 4.350 0.000 0.000 0.193 3718 E C 1.902 178.482 176.600 -0.034 0.000 0.989 3718 E CA 1.114 57.486 56.400 -0.045 0.000 0.800 3718 E CB -0.151 29.511 29.700 -0.064 0.000 0.746 3718 E HN 0.452 nan 8.360 nan 0.000 0.452 3719 L N 0.583 121.782 121.223 -0.041 0.000 2.083 3719 L HA -0.188 4.152 4.340 0.000 0.000 0.209 3719 L C 2.547 179.415 176.870 -0.003 0.000 1.083 3719 L CA 0.707 55.536 54.840 -0.020 0.000 0.752 3719 L CB -0.298 41.748 42.059 -0.021 0.000 0.899 3719 L HN 0.258 nan 8.230 nan 0.000 0.433 3720 L N -0.391 120.829 121.223 -0.005 0.000 2.056 3720 L HA -0.202 4.138 4.340 0.000 0.000 0.207 3720 L C 2.527 179.398 176.870 0.002 0.000 1.078 3720 L CA 1.357 56.198 54.840 0.003 0.000 0.749 3720 L CB -0.388 41.672 42.059 0.002 0.000 0.901 3720 L HN 0.198 nan 8.230 nan 0.000 0.433 3721 K N -0.885 119.513 120.400 -0.003 0.000 2.362 3721 K HA -0.073 4.247 4.320 0.000 0.000 0.200 3721 K C 1.855 178.455 176.600 -0.001 0.000 1.046 3721 K CA 1.250 57.536 56.287 -0.002 0.000 0.952 3721 K CB -0.059 32.438 32.500 -0.006 0.000 0.753 3721 K HN 0.283 nan 8.250 nan 0.000 0.466 3722 T N 1.273 115.827 114.554 -0.000 0.000 3.035 3722 T HA 0.046 4.396 4.350 0.000 0.000 0.259 3722 T C 1.735 176.440 174.700 0.007 0.000 1.078 3722 T CA 0.568 62.670 62.100 0.002 0.000 1.132 3722 T CB 0.070 68.939 68.868 0.001 0.000 0.900 3722 T HN 0.347 nan 8.240 nan 0.000 0.480 3723 I N -0.862 119.715 120.570 0.012 0.000 3.968 3723 I HA 0.536 4.706 4.170 0.000 0.000 0.328 3723 I C 0.941 177.067 176.117 0.015 0.000 1.290 3723 I CA -0.673 60.638 61.300 0.018 0.000 1.163 3723 I CB -0.253 37.766 38.000 0.033 0.000 1.024 3723 I HN -0.095 nan 8.210 nan 0.000 0.413 3724 A N 1.596 124.422 122.820 0.011 0.000 2.546 3724 A HA 0.129 4.449 4.320 0.000 0.000 0.243 3724 A C 0.082 177.671 177.584 0.007 0.000 1.063 3724 A CA 0.031 52.073 52.037 0.009 0.000 0.757 3724 A CB -0.243 18.761 19.000 0.006 0.000 0.991 3724 A HN 0.640 nan 8.150 nan 0.000 0.503 3725 C N 3.665 122.970 119.300 0.008 0.000 2.255 3725 C HA 0.539 4.999 4.460 0.000 0.000 0.326 3725 C C 0.356 175.349 174.990 0.005 0.000 1.258 3725 C CA -0.641 58.381 59.018 0.006 0.000 1.676 3725 C CB -0.351 27.394 27.740 0.008 0.000 2.314 3725 C HN 0.941 nan 8.230 nan 0.000 0.509 3726 E N 3.679 123.882 120.200 0.004 0.000 2.351 3726 E HA 0.405 4.755 4.350 0.000 0.000 0.266 3726 E C -0.092 176.509 176.600 0.003 0.000 1.031 3726 E CA 0.230 56.631 56.400 0.003 0.000 0.911 3726 E CB 0.644 30.345 29.700 0.002 0.000 0.986 3726 E HN 0.712 nan 8.360 nan 0.000 0.446 3727 V N 1.473 121.388 119.914 0.003 0.000 3.102 3727 V HA 0.840 4.960 4.120 0.000 0.000 0.312 3727 V C 0.514 176.610 176.094 0.003 0.000 1.135 3727 V CA -0.793 61.508 62.300 0.003 0.000 1.022 3727 V CB 1.645 33.470 31.823 0.003 0.000 1.056 3727 V HN 0.672 nan 8.190 nan 0.000 0.436 3728 G N 0.417 109.218 108.800 0.002 0.000 2.343 3728 G HA2 0.464 4.424 3.960 0.000 0.000 0.254 3728 G HA3 0.464 4.424 3.960 0.000 0.000 0.254 3728 G C 0.994 175.896 174.900 0.003 0.000 1.277 3728 G CA 0.192 45.293 45.100 0.003 0.000 0.909 3728 G HN 1.670 nan 8.290 nan 0.000 0.502 3729 A N 2.139 124.961 122.820 0.003 0.000 1.940 3729 A HA -0.123 4.197 4.320 0.000 0.000 0.219 3729 A C 1.929 179.516 177.584 0.004 0.000 1.176 3729 A CA 1.856 53.895 52.037 0.004 0.000 0.631 3729 A CB -0.069 18.934 19.000 0.004 0.000 0.814 3729 A HN 0.641 nan 8.150 nan 0.000 0.446 3730 Q N -0.484 119.319 119.800 0.004 0.000 2.155 3730 Q HA 0.120 4.460 4.340 0.000 0.000 0.220 3730 Q C -0.829 175.173 176.000 0.003 0.000 0.819 3730 Q CA -0.267 55.539 55.803 0.004 0.000 1.032 3730 Q CB 0.183 28.924 28.738 0.006 0.000 1.151 3730 Q HN 0.579 nan 8.270 nan 0.000 0.487 3731 D N 1.012 121.414 120.400 0.003 0.000 2.412 3731 D HA -0.073 4.567 4.640 0.000 0.000 0.257 3731 D C 1.262 177.563 176.300 0.001 0.000 1.217 3731 D CA 0.222 54.223 54.000 0.002 0.000 0.897 3731 D CB 0.907 41.708 40.800 0.002 0.000 1.132 3731 D HN -0.030 nan 8.370 nan 0.000 0.493 3732 K N 3.486 123.887 120.400 0.001 0.000 2.032 3732 K HA -0.266 4.055 4.320 0.000 0.000 0.218 3732 K C 1.237 177.837 176.600 -0.001 0.000 1.054 3732 K CA 1.546 57.833 56.287 -0.000 0.000 0.941 3732 K CB -0.019 32.481 32.500 -0.000 0.000 0.720 3732 K HN 0.584 nan 8.250 nan 0.000 0.449 3733 E N 0.570 120.769 120.200 -0.002 0.000 2.023 3733 E HA -0.203 4.147 4.350 0.000 0.000 0.196 3733 E C 2.135 178.733 176.600 -0.003 0.000 1.003 3733 E CA 1.182 57.581 56.400 -0.003 0.000 0.809 3733 E CB -0.458 29.240 29.700 -0.003 0.000 0.755 3733 E HN 0.324 nan 8.360 nan 0.000 0.449 3734 I N 0.727 121.297 120.570 -0.001 0.000 2.493 3734 I HA -0.212 3.958 4.170 0.000 0.000 0.254 3734 I C 2.087 178.205 176.117 0.000 0.000 1.160 3734 I CA 0.638 61.938 61.300 -0.000 0.000 1.445 3734 I CB -0.095 37.906 38.000 0.001 0.000 1.086 3734 I HN 0.014 nan 8.210 nan 0.000 0.433 3735 L N -0.154 121.069 121.223 0.000 0.000 2.093 3735 L HA -0.161 4.179 4.340 0.000 0.000 0.208 3735 L C 2.469 179.339 176.870 -0.001 0.000 1.085 3735 L CA 1.926 56.766 54.840 0.000 0.000 0.755 3735 L CB -1.360 40.699 42.059 0.000 0.000 0.904 3735 L HN 0.201 nan 8.230 nan 0.000 0.435 3736 T N -1.433 113.119 114.554 -0.002 0.000 2.867 3736 T HA -0.154 4.196 4.350 0.000 0.000 0.268 3736 T C 1.958 176.655 174.700 -0.005 0.000 1.057 3736 T CA 1.029 63.127 62.100 -0.004 0.000 1.136 3736 T CB 0.035 68.899 68.868 -0.006 0.000 0.874 3736 T HN 0.059 nan 8.240 nan 0.000 0.466 3737 K N 0.774 121.172 120.400 -0.004 0.000 2.103 3737 K HA 0.157 4.477 4.320 0.000 0.000 0.204 3737 K C 2.033 178.633 176.600 0.001 0.000 1.052 3737 K CA 0.533 56.818 56.287 -0.004 0.000 0.945 3737 K CB -0.335 32.163 32.500 -0.003 0.000 0.722 3737 K HN 0.201 nan 8.250 nan 0.000 0.443 3738 I N 0.741 121.313 120.570 0.003 0.000 2.142 3738 I HA -0.206 3.964 4.170 0.000 0.000 0.240 3738 I C 2.161 178.282 176.117 0.006 0.000 1.078 3738 I CA 1.502 62.806 61.300 0.006 0.000 1.343 3738 I CB -1.359 36.644 38.000 0.005 0.000 1.046 3738 I HN 0.082 nan 8.210 nan 0.000 0.405 3739 A N 0.637 123.459 122.820 0.003 0.000 1.908 3739 A HA -0.281 4.039 4.320 0.000 0.000 0.218 3739 A C 2.471 180.058 177.584 0.005 0.000 1.181 3739 A CA 2.202 54.241 52.037 0.003 0.000 0.627 3739 A CB -0.731 18.270 19.000 0.001 0.000 0.818 3739 A HN 0.480 nan 8.150 nan 0.000 0.445 3740 M N 0.308 119.909 119.600 0.002 0.000 2.086 3740 M HA -0.169 4.311 4.480 0.000 0.000 0.261 3740 M C 2.268 178.574 176.300 0.010 0.000 1.067 3740 M CA 2.554 57.853 55.300 -0.001 0.000 1.116 3740 M CB -0.504 32.088 32.600 -0.013 0.000 1.348 3740 M HN 0.600 nan 8.290 nan 0.000 0.407 3741 T N -2.456 112.107 114.554 0.015 0.000 2.867 3741 T HA -0.093 4.257 4.350 0.000 0.000 0.268 3741 T C 1.979 176.702 174.700 0.038 0.000 1.057 3741 T CA 1.590 63.711 62.100 0.033 0.000 1.136 3741 T CB -0.688 68.199 68.868 0.032 0.000 0.874 3741 T HN 0.486 nan 8.240 nan 0.000 0.466 3742 S N 1.164 116.879 115.700 0.025 0.000 2.355 3742 S HA -0.005 4.465 4.470 0.000 0.000 0.222 3742 S C 2.032 176.647 174.600 0.026 0.000 1.031 3742 S CA 0.936 59.150 58.200 0.022 0.000 0.993 3742 S CB -0.670 62.538 63.200 0.014 0.000 0.859 3742 S HN 0.585 nan 8.310 nan 0.000 0.453 3743 I N 1.715 122.299 120.570 0.024 0.000 2.264 3743 I HA -0.116 4.054 4.170 0.000 0.000 0.248 3743 I C 1.356 177.498 176.117 0.041 0.000 1.111 3743 I CA 1.018 62.334 61.300 0.026 0.000 1.382 3743 I CB -0.965 37.046 38.000 0.018 0.000 1.060 3743 I HN 0.452 nan 8.210 nan 0.000 0.418 3744 T N -0.765 113.825 114.554 0.059 0.000 2.900 3744 T HA 0.366 4.716 4.350 0.000 0.000 0.307 3744 T C 1.143 175.904 174.700 0.102 0.000 1.065 3744 T CA 0.056 62.219 62.100 0.106 0.000 1.105 3744 T CB 1.378 70.347 68.868 0.168 0.000 0.979 3744 T HN 0.599 nan 8.240 nan 0.000 0.544 3745 G N 1.400 110.271 108.800 0.117 0.000 2.176 3745 G HA2 -0.205 3.755 3.960 0.000 0.000 0.253 3745 G HA3 -0.205 3.755 3.960 0.000 0.000 0.253 3745 G C -0.039 174.883 174.900 0.036 0.000 0.979 3745 G CA 0.409 45.544 45.100 0.059 0.000 0.641 3745 G HN 0.935 nan 8.290 nan 0.000 0.530 3746 K N -0.908 119.518 120.400 0.044 0.000 2.352 3746 K HA 0.609 4.929 4.320 0.000 0.000 0.240 3746 K C 1.542 178.162 176.600 0.034 0.000 1.017 3746 K CA -0.539 55.767 56.287 0.030 0.000 0.851 3746 K CB 1.280 33.796 32.500 0.026 0.000 1.261 3746 K HN 0.169 nan 8.250 nan 0.000 0.451 3747 G N 0.391 109.207 108.800 0.027 0.000 2.448 3747 G HA2 -0.252 3.708 3.960 0.000 0.000 0.219 3747 G HA3 -0.252 3.708 3.960 0.000 0.000 0.219 3747 G C 1.265 176.182 174.900 0.028 0.000 1.127 3747 G CA 1.111 46.227 45.100 0.027 0.000 0.766 3747 G HN 0.613 nan 8.290 nan 0.000 0.552 3748 A N 1.532 124.368 122.820 0.026 0.000 2.121 3748 A HA 0.004 4.324 4.320 0.000 0.000 0.218 3748 A C 2.135 179.733 177.584 0.023 0.000 1.154 3748 A CA 1.670 53.721 52.037 0.023 0.000 0.679 3748 A CB -0.386 18.627 19.000 0.021 0.000 0.795 3748 A HN 0.656 nan 8.150 nan 0.000 0.458 3749 E N 0.527 120.745 120.200 0.031 0.000 2.401 3749 E HA -0.216 4.134 4.350 0.000 0.000 0.199 3749 E C 1.457 178.069 176.600 0.019 0.000 1.023 3749 E CA 1.228 57.646 56.400 0.031 0.000 0.859 3749 E CB -0.317 29.418 29.700 0.059 0.000 0.780 3749 E HN 0.612 nan 8.360 nan 0.000 0.523 3750 K N 0.493 120.905 120.400 0.021 0.000 2.147 3750 K HA -0.063 4.257 4.320 0.000 0.000 0.205 3750 K C 1.389 177.992 176.600 0.006 0.000 1.049 3750 K CA 1.291 57.586 56.287 0.014 0.000 0.936 3750 K CB 0.055 32.565 32.500 0.017 0.000 0.722 3750 K HN 0.229 nan 8.250 nan 0.000 0.446 3751 A N 1.269 124.093 122.820 0.006 0.000 2.631 3751 A HA 0.079 4.399 4.320 0.000 0.000 0.294 3751 A C 1.174 178.758 177.584 -0.000 0.000 1.156 3751 A CA -0.488 51.550 52.037 0.002 0.000 0.963 3751 A CB -0.097 18.906 19.000 0.006 0.000 1.202 3751 A HN 0.253 nan 8.150 nan 0.000 0.523 3752 K N 0.116 120.515 120.400 -0.002 0.000 2.286 3752 K HA -0.223 4.097 4.320 0.000 0.000 0.203 3752 K C 0.841 177.435 176.600 -0.009 0.000 1.045 3752 K CA 1.969 58.253 56.287 -0.004 0.000 0.935 3752 K CB -0.110 32.385 32.500 -0.009 0.000 0.737 3752 K HN 0.348 nan 8.250 nan 0.000 0.460 3753 E N 1.437 121.629 120.200 -0.013 0.000 2.046 3753 E HA -0.136 4.214 4.350 0.000 0.000 0.190 3753 E C 1.930 178.525 176.600 -0.007 0.000 0.982 3753 E CA 1.345 57.737 56.400 -0.013 0.000 0.800 3753 E CB -0.048 29.642 29.700 -0.016 0.000 0.756 3753 E HN 0.305 nan 8.360 nan 0.000 0.449 3754 K N 0.279 120.676 120.400 -0.004 0.000 2.057 3754 K HA -0.072 4.248 4.320 0.000 0.000 0.206 3754 K C 1.667 178.268 176.600 0.001 0.000 1.050 3754 K CA 0.794 57.081 56.287 -0.001 0.000 0.935 3754 K CB -0.229 32.272 32.500 0.002 0.000 0.715 3754 K HN -0.014 nan 8.250 nan 0.000 0.439 3755 L N 0.680 121.904 121.223 0.002 0.000 2.083 3755 L HA -0.002 4.338 4.340 0.000 0.000 0.209 3755 L C 2.301 179.172 176.870 0.002 0.000 1.083 3755 L CA 1.935 56.777 54.840 0.004 0.000 0.752 3755 L CB -1.150 40.912 42.059 0.006 0.000 0.899 3755 L HN 0.293 nan 8.230 nan 0.000 0.433 3756 A N -0.821 121.999 122.820 -0.000 0.000 1.902 3756 A HA -0.252 4.068 4.320 0.000 0.000 0.217 3756 A C 2.360 179.943 177.584 -0.002 0.000 1.181 3756 A CA 1.715 53.751 52.037 -0.002 0.000 0.623 3756 A CB -0.563 18.434 19.000 -0.005 0.000 0.818 3756 A HN 0.493 nan 8.150 nan 0.000 0.443 3757 E N -0.132 120.067 120.200 -0.002 0.000 2.077 3757 E HA -0.183 4.167 4.350 0.000 0.000 0.193 3757 E C 1.865 178.465 176.600 -0.000 0.000 0.989 3757 E CA 1.348 57.748 56.400 -0.001 0.000 0.800 3757 E CB -0.245 29.454 29.700 -0.001 0.000 0.746 3757 E HN 0.666 nan 8.360 nan 0.000 0.452 3758 I N 0.951 121.522 120.570 0.001 0.000 2.226 3758 I HA -0.272 3.899 4.170 0.000 0.000 0.245 3758 I C 2.224 178.341 176.117 -0.000 0.000 1.100 3758 I CA 0.642 61.943 61.300 0.002 0.000 1.374 3758 I CB -0.173 37.830 38.000 0.005 0.000 1.057 3758 I HN 0.258 nan 8.210 nan 0.000 0.413 3759 I N 0.527 121.097 120.570 -0.001 0.000 2.353 3759 I HA -0.142 4.028 4.170 0.000 0.000 0.248 3759 I C 2.681 178.796 176.117 -0.004 0.000 1.119 3759 I CA 1.421 62.720 61.300 -0.003 0.000 1.417 3759 I CB -1.019 36.981 38.000 -0.001 0.000 1.078 3759 I HN 0.199 nan 8.210 nan 0.000 0.421 3760 V N -1.107 118.805 119.914 -0.003 0.000 2.809 3760 V HA -0.120 4.000 4.120 0.000 0.000 0.256 3760 V C 2.179 178.271 176.094 -0.004 0.000 1.080 3760 V CA 1.583 63.881 62.300 -0.003 0.000 1.102 3760 V CB -0.821 31.001 31.823 -0.002 0.000 0.705 3760 V HN 0.434 nan 8.190 nan 0.000 0.475 3761 E N 1.077 121.275 120.200 -0.004 0.000 2.076 3761 E HA -0.038 4.312 4.350 0.000 0.000 0.190 3761 E C 2.206 178.799 176.600 -0.011 0.000 0.979 3761 E CA 1.118 57.515 56.400 -0.005 0.000 0.807 3761 E CB -0.240 29.458 29.700 -0.003 0.000 0.761 3761 E HN 0.642 nan 8.360 nan 0.000 0.454 3762 A N 0.741 123.554 122.820 -0.012 0.000 1.858 3762 A HA -0.139 4.181 4.320 0.000 0.000 0.216 3762 A C 2.387 179.958 177.584 -0.022 0.000 1.190 3762 A CA 1.606 53.632 52.037 -0.018 0.000 0.617 3762 A CB -0.781 18.211 19.000 -0.015 0.000 0.827 3762 A HN 0.226 nan 8.150 nan 0.000 0.443 3763 V N -0.278 119.627 119.914 -0.015 0.000 2.515 3763 V HA -0.169 3.951 4.120 0.000 0.000 0.250 3763 V C 2.763 178.849 176.094 -0.013 0.000 1.058 3763 V CA 2.155 64.447 62.300 -0.014 0.000 1.064 3763 V CB -0.592 31.226 31.823 -0.009 0.000 0.675 3763 V HN 0.671 nan 8.190 nan 0.000 0.461 3764 S N -0.012 115.681 115.700 -0.011 0.000 2.383 3764 S HA -0.119 4.351 4.470 0.000 0.000 0.227 3764 S C 2.108 176.699 174.600 -0.015 0.000 1.026 3764 S CA 1.457 59.653 58.200 -0.008 0.000 0.981 3764 S CB -0.186 63.012 63.200 -0.003 0.000 0.818 3764 S HN 0.597 nan 8.310 nan 0.000 0.472 3765 A N 1.068 123.870 122.820 -0.031 0.000 1.873 3765 A HA 0.025 4.345 4.320 0.000 0.000 0.215 3765 A C 2.375 179.904 177.584 -0.091 0.000 1.186 3765 A CA 1.760 53.759 52.037 -0.063 0.000 0.616 3765 A CB -0.985 17.974 19.000 -0.068 0.000 0.823 3765 A HN 0.942 nan 8.150 nan 0.000 0.442 3766 V N -3.062 116.813 119.914 -0.065 0.000 2.788 3766 V HA -0.008 4.112 4.120 0.000 0.000 0.251 3766 V C 2.094 178.167 176.094 -0.035 0.000 1.068 3766 V CA 1.486 63.748 62.300 -0.063 0.000 1.090 3766 V CB -0.549 31.245 31.823 -0.048 0.000 0.710 3766 V HN 0.205 nan 8.190 nan 0.000 0.467 3767 V N 0.497 120.400 119.914 -0.019 0.000 2.515 3767 V HA -0.093 4.027 4.120 0.000 0.000 0.250 3767 V C 1.610 177.713 176.094 0.015 0.000 1.058 3767 V CA 2.402 64.701 62.300 -0.002 0.000 1.064 3767 V CB -0.533 31.290 31.823 0.001 0.000 0.675 3767 V HN 0.869 nan 8.190 nan 0.000 0.461 3768 D N -0.758 119.656 120.400 0.024 0.000 4.344 3768 D HA -0.223 4.417 4.640 0.000 0.000 0.144 3768 D C 0.552 176.886 176.300 0.056 0.000 0.730 3768 D CA 1.934 55.978 54.000 0.073 0.000 1.156 3768 D CB -1.242 39.623 40.800 0.109 0.000 0.570 3768 D HN 0.565 nan 8.370 nan 0.000 0.533 3769 D N 1.634 122.062 120.400 0.047 0.000 2.398 3769 D HA 0.236 4.876 4.640 0.000 0.000 0.247 3769 D C -0.238 176.074 176.300 0.020 0.000 1.227 3769 D CA 0.168 54.186 54.000 0.030 0.000 0.980 3769 D CB 0.611 41.425 40.800 0.024 0.000 1.106 3769 D HN 0.261 nan 8.370 nan 0.000 0.493 3770 E N 0.027 120.236 120.200 0.015 0.000 2.079 3770 E HA 0.518 4.868 4.350 0.000 0.000 0.252 3770 E C -0.704 175.902 176.600 0.009 0.000 0.992 3770 E CA -0.509 55.897 56.400 0.011 0.000 0.829 3770 E CB -0.343 29.363 29.700 0.009 0.000 1.158 3770 E HN 0.515 nan 8.360 nan 0.000 0.435 3771 G N 2.746 111.551 108.800 0.008 0.000 2.358 3771 G HA2 0.173 4.133 3.960 0.000 0.000 0.303 3771 G HA3 0.173 4.133 3.960 0.000 0.000 0.303 3771 G C -1.867 173.037 174.900 0.007 0.000 1.537 3771 G CA -0.844 44.262 45.100 0.009 0.000 0.928 3771 G HN 0.194 nan 8.290 nan 0.000 0.656 3772 K N 0.435 120.839 120.400 0.006 0.000 2.561 3772 K HA 0.578 4.898 4.320 0.000 0.000 0.254 3772 K C -1.424 175.177 176.600 0.002 0.000 0.942 3772 K CA -0.538 55.751 56.287 0.004 0.000 0.818 3772 K CB 2.307 34.810 32.500 0.004 0.000 1.306 3772 K HN 0.600 nan 8.250 nan 0.000 0.435 3773 V N 2.929 122.843 119.914 -0.000 0.000 2.459 3773 V HA 0.346 4.466 4.120 0.000 0.000 0.295 3773 V C -0.539 175.553 176.094 -0.005 0.000 1.029 3773 V CA -0.725 61.573 62.300 -0.003 0.000 0.874 3773 V CB 1.677 33.498 31.823 -0.004 0.000 0.985 3773 V HN 0.673 nan 8.190 nan 0.000 0.438 3774 D N 3.310 123.706 120.400 -0.008 0.000 2.471 3774 D HA 0.240 4.880 4.640 0.000 0.000 0.245 3774 D C 0.778 177.070 176.300 -0.013 0.000 1.116 3774 D CA -0.553 53.441 54.000 -0.009 0.000 0.853 3774 D CB 1.814 42.608 40.800 -0.009 0.000 1.123 3774 D HN 0.523 nan 8.370 nan 0.000 0.540 3775 K N 2.732 123.126 120.400 -0.012 0.000 2.218 3775 K HA -0.237 4.084 4.320 0.000 0.000 0.205 3775 K C 0.921 177.510 176.600 -0.018 0.000 1.046 3775 K CA 1.401 57.679 56.287 -0.014 0.000 0.933 3775 K CB 0.162 32.656 32.500 -0.011 0.000 0.728 3775 K HN 0.349 nan 8.250 nan 0.000 0.454 3776 D N 0.260 120.649 120.400 -0.018 0.000 2.309 3776 D HA -0.126 4.514 4.640 0.000 0.000 0.212 3776 D C 1.483 177.766 176.300 -0.029 0.000 0.968 3776 D CA 0.777 54.764 54.000 -0.023 0.000 0.882 3776 D CB 0.115 40.903 40.800 -0.020 0.000 0.918 3776 D HN 0.282 nan 8.370 nan 0.000 0.503 3777 L N -0.355 120.851 121.223 -0.028 0.000 2.492 3777 L HA 0.172 4.512 4.340 0.000 0.000 0.223 3777 L C 0.410 177.256 176.870 -0.039 0.000 1.132 3777 L CA 0.204 55.023 54.840 -0.035 0.000 0.850 3777 L CB 0.153 42.192 42.059 -0.032 0.000 0.966 3777 L HN 0.015 nan 8.230 nan 0.000 0.454 3778 I N 0.630 121.179 120.570 -0.034 0.000 2.420 3778 I HA 0.180 4.350 4.170 0.000 0.000 0.282 3778 I C 0.022 176.118 176.117 -0.035 0.000 1.019 3778 I CA -0.394 60.886 61.300 -0.034 0.000 1.130 3778 I CB 1.629 39.613 38.000 -0.026 0.000 1.262 3778 I HN -0.040 nan 8.210 nan 0.000 0.454 3779 K N 6.764 127.138 120.400 -0.044 0.000 2.249 3779 K HA 0.405 4.725 4.320 0.000 0.000 0.280 3779 K C -0.634 175.942 176.600 -0.041 0.000 1.033 3779 K CA -0.479 55.780 56.287 -0.047 0.000 0.946 3779 K CB 0.904 33.365 32.500 -0.065 0.000 1.005 3779 K HN 0.459 nan 8.250 nan 0.000 0.469 3780 I N 4.257 124.806 120.570 -0.035 0.000 2.347 3780 I HA 0.184 4.354 4.170 0.000 0.000 0.283 3780 I C -0.216 175.882 176.117 -0.032 0.000 1.058 3780 I CA -0.550 60.734 61.300 -0.027 0.000 1.202 3780 I CB 0.424 38.413 38.000 -0.018 0.000 1.386 3780 I HN 0.668 nan 8.210 nan 0.000 0.475 3781 E N 6.777 126.954 120.200 -0.037 0.000 2.204 3781 E HA 0.590 4.940 4.350 0.000 0.000 0.276 3781 E C -0.784 175.801 176.600 -0.025 0.000 0.974 3781 E CA -0.633 55.741 56.400 -0.043 0.000 0.815 3781 E CB 1.397 31.053 29.700 -0.073 0.000 1.119 3781 E HN 0.544 nan 8.360 nan 0.000 0.393 3782 K N 1.922 122.309 120.400 -0.022 0.000 2.468 3782 K HA 0.697 5.018 4.320 0.000 0.000 0.252 3782 K C -1.251 175.344 176.600 -0.008 0.000 0.932 3782 K CA -1.183 55.098 56.287 -0.010 0.000 0.794 3782 K CB 1.843 34.337 32.500 -0.009 0.000 1.241 3782 K HN 0.189 nan 8.250 nan 0.000 0.428 3783 K N 1.599 122.001 120.400 0.004 0.000 2.588 3783 K HA 0.191 4.511 4.320 0.000 0.000 0.250 3783 K C -1.000 175.607 176.600 0.012 0.000 0.972 3783 K CA -0.341 55.951 56.287 0.009 0.000 0.821 3783 K CB 1.910 34.426 32.500 0.025 0.000 1.249 3783 K HN 0.852 nan 8.250 nan 0.000 0.442 3784 S N 2.003 117.704 115.700 0.001 0.000 2.576 3784 S HA 0.684 5.154 4.470 0.000 0.000 0.272 3784 S C 0.531 175.138 174.600 0.011 0.000 1.352 3784 S CA 0.502 58.703 58.200 0.001 0.000 1.021 3784 S CB 0.512 63.705 63.200 -0.011 0.000 0.887 3784 S HN 1.385 nan 8.310 nan 0.000 0.542 3785 G N -0.060 108.746 108.800 0.011 0.000 2.484 3785 G HA2 0.483 4.444 3.960 0.000 0.000 0.685 3785 G HA3 0.483 4.444 3.960 0.000 0.000 0.685 3785 G C -0.061 174.848 174.900 0.015 0.000 1.294 3785 G CA -0.008 45.100 45.100 0.013 0.000 0.879 3785 G HN 2.455 nan 8.290 nan 0.000 0.646 3786 A N -0.710 122.117 122.820 0.013 0.000 5.953 3786 A HA 0.384 4.704 4.320 0.000 0.000 0.267 3786 A C 1.162 178.754 177.584 0.012 0.000 2.116 3786 A CA 1.980 54.025 52.037 0.012 0.000 0.711 3786 A CB -1.624 17.385 19.000 0.015 0.000 1.100 3786 A HN 2.726 nan 8.150 nan 0.000 0.364 3787 S N -2.590 113.117 115.700 0.013 0.000 2.810 3787 S HA 0.750 5.220 4.470 0.000 0.000 0.315 3787 S C 1.302 175.911 174.600 0.014 0.000 1.138 3787 S CA 0.011 58.218 58.200 0.013 0.000 0.889 3787 S CB 0.921 64.128 63.200 0.011 0.000 1.236 3787 S HN 0.967 nan 8.310 nan 0.000 0.548 3788 I N 1.195 121.773 120.570 0.015 0.000 2.315 3788 I HA -0.092 4.079 4.170 0.000 0.000 0.248 3788 I C 1.931 178.055 176.117 0.013 0.000 1.117 3788 I CA 1.391 62.700 61.300 0.015 0.000 1.404 3788 I CB -0.301 37.708 38.000 0.015 0.000 1.071 3788 I HN 0.694 nan 8.210 nan 0.000 0.419 3789 D N 1.016 121.422 120.400 0.011 0.000 2.221 3789 D HA -0.210 4.430 4.640 0.000 0.000 0.204 3789 D C 1.592 177.898 176.300 0.010 0.000 0.982 3789 D CA 1.140 55.145 54.000 0.008 0.000 0.857 3789 D CB -0.016 40.788 40.800 0.006 0.000 0.934 3789 D HN 0.248 nan 8.370 nan 0.000 0.475 3790 D N -0.435 119.972 120.400 0.012 0.000 2.347 3790 D HA -0.037 4.603 4.640 0.000 0.000 0.215 3790 D C 0.238 176.551 176.300 0.022 0.000 0.976 3790 D CA 0.390 54.399 54.000 0.014 0.000 0.884 3790 D CB -0.187 40.621 40.800 0.014 0.000 0.915 3790 D HN 0.162 nan 8.370 nan 0.000 0.526 3791 T N 1.513 116.080 114.554 0.022 0.000 2.933 3791 T HA 0.085 4.435 4.350 0.000 0.000 0.306 3791 T C 0.303 175.019 174.700 0.027 0.000 1.045 3791 T CA 0.688 62.804 62.100 0.026 0.000 1.143 3791 T CB 0.967 69.846 68.868 0.019 0.000 1.003 3791 T HN 0.033 nan 8.240 nan 0.000 0.540 3792 E N 1.625 121.847 120.200 0.037 0.000 2.372 3792 E HA 0.527 4.877 4.350 0.000 0.000 0.279 3792 E C -1.890 174.737 176.600 0.045 0.000 0.946 3792 E CA -0.830 55.593 56.400 0.039 0.000 0.769 3792 E CB 1.087 30.815 29.700 0.046 0.000 1.230 3792 E HN 0.367 nan 8.360 nan 0.000 0.442 3793 L N 3.899 125.143 121.223 0.035 0.000 2.289 3793 L HA 0.622 4.962 4.340 0.000 0.000 0.285 3793 L C -1.247 175.649 176.870 0.043 0.000 1.049 3793 L CA -0.247 54.610 54.840 0.028 0.000 0.804 3793 L CB 0.841 42.908 42.059 0.012 0.000 1.195 3793 L HN 0.596 nan 8.230 nan 0.000 0.428 3794 I N 4.751 125.348 120.570 0.045 0.000 2.354 3794 I HA 0.300 4.470 4.170 0.000 0.000 0.286 3794 I C -0.107 176.026 176.117 0.026 0.000 1.007 3794 I CA -0.443 60.896 61.300 0.065 0.000 1.167 3794 I CB 1.197 39.266 38.000 0.114 0.000 1.320 3794 I HN 0.425 nan 8.210 nan 0.000 0.458 3795 K N 5.266 125.680 120.400 0.023 0.000 2.199 3795 K HA 0.551 4.871 4.320 0.000 0.000 0.226 3795 K C 0.513 177.112 176.600 -0.001 0.000 1.237 3795 K CA -0.078 56.209 56.287 -0.001 0.000 1.170 3795 K CB -0.286 32.213 32.500 -0.003 0.000 1.418 3795 K HN 0.869 nan 8.250 nan 0.000 0.255 3796 G N -1.375 107.418 108.800 -0.012 0.000 2.512 3796 G HA2 0.167 4.127 3.960 0.000 0.000 0.181 3796 G HA3 0.167 4.127 3.960 0.000 0.000 0.181 3796 G C -1.624 173.248 174.900 -0.048 0.000 1.173 3796 G CA -0.739 44.348 45.100 -0.021 0.000 0.988 3796 G HN 0.043 nan 8.290 nan 0.000 0.485 3797 V N 0.833 120.709 119.914 -0.064 0.000 2.531 3797 V HA 0.693 4.814 4.120 0.000 0.000 0.301 3797 V C -0.903 175.102 176.094 -0.148 0.000 1.034 3797 V CA -0.592 61.637 62.300 -0.119 0.000 0.865 3797 V CB 1.450 33.171 31.823 -0.171 0.000 0.995 3797 V HN 0.889 nan 8.190 nan 0.000 0.424 3798 L N 7.607 128.706 121.223 -0.207 0.000 2.305 3798 L HA 0.842 5.182 4.340 0.000 0.000 0.284 3798 L C -0.384 176.328 176.870 -0.263 0.000 1.013 3798 L CA -0.177 54.451 54.840 -0.354 0.000 0.819 3798 L CB 1.648 43.390 42.059 -0.528 0.000 1.227 3798 L HN 0.582 nan 8.230 nan 0.000 0.417 3799 V N 1.585 121.366 119.914 -0.222 0.000 2.769 3799 V HA 0.633 4.753 4.120 0.000 0.000 0.312 3799 V C -0.369 175.668 176.094 -0.096 0.000 1.061 3799 V CA -0.523 61.701 62.300 -0.127 0.000 0.931 3799 V CB 1.820 33.602 31.823 -0.068 0.000 1.010 3799 V HN 0.812 nan 8.190 nan 0.000 0.433 3800 D N 1.001 121.365 120.400 -0.060 0.000 3.134 3800 D HA 0.326 4.966 4.640 0.000 0.000 0.248 3800 D C -0.115 176.188 176.300 0.006 0.000 1.273 3800 D CA -0.218 53.763 54.000 -0.032 0.000 0.904 3800 D CB 0.215 40.997 40.800 -0.030 0.000 1.089 3800 D HN 0.547 nan 8.370 nan 0.000 0.478 3801 K N 0.237 120.654 120.400 0.029 0.000 2.352 3801 K HA 0.558 4.878 4.320 0.000 0.000 0.240 3801 K C 0.002 176.635 176.600 0.055 0.000 1.017 3801 K CA -0.865 55.455 56.287 0.055 0.000 0.851 3801 K CB 1.942 34.503 32.500 0.102 0.000 1.261 3801 K HN 0.294 nan 8.250 nan 0.000 0.451 3802 E N -0.156 120.070 120.200 0.042 0.000 2.416 3802 E HA 0.455 4.805 4.350 0.000 0.000 0.273 3802 E C -0.965 175.638 176.600 0.005 0.000 0.935 3802 E CA -1.092 55.326 56.400 0.029 0.000 0.784 3802 E CB 1.448 31.162 29.700 0.024 0.000 1.301 3802 E HN 0.281 nan 8.360 nan 0.000 0.454 3803 R N 0.921 121.418 120.500 -0.006 0.000 2.401 3803 R HA 0.075 4.415 4.340 0.000 0.000 0.299 3803 R C 1.338 177.625 176.300 -0.023 0.000 1.064 3803 R CA 0.251 56.332 56.100 -0.032 0.000 1.000 3803 R CB 0.878 31.160 30.300 -0.031 0.000 0.973 3803 R HN 0.577 nan 8.270 nan 0.000 0.438 3804 V N -0.139 119.756 119.914 -0.030 0.000 2.867 3804 V HA -0.115 4.005 4.120 0.000 0.000 0.260 3804 V C 0.772 176.859 176.094 -0.012 0.000 1.099 3804 V CA 1.227 63.516 62.300 -0.017 0.000 1.122 3804 V CB -0.154 31.659 31.823 -0.018 0.000 0.708 3804 V HN 0.561 nan 8.190 nan 0.000 0.490 3805 S N -1.013 114.676 115.700 -0.018 0.000 2.521 3805 S HA 0.774 5.244 4.470 0.000 0.000 0.295 3805 S C 0.873 175.465 174.600 -0.014 0.000 1.098 3805 S CA -0.127 58.065 58.200 -0.013 0.000 0.999 3805 S CB 1.859 65.048 63.200 -0.017 0.000 1.034 3805 S HN 0.724 nan 8.310 nan 0.000 0.483 3806 A N 3.019 125.835 122.820 -0.007 0.000 2.070 3806 A HA -0.076 4.244 4.320 0.000 0.000 0.220 3806 A C 1.873 179.451 177.584 -0.011 0.000 1.159 3806 A CA 1.884 53.917 52.037 -0.006 0.000 0.656 3806 A CB -0.674 18.325 19.000 -0.001 0.000 0.800 3806 A HN 0.809 nan 8.150 nan 0.000 0.453 3807 Q N -0.529 119.261 119.800 -0.017 0.000 2.378 3807 Q HA 0.131 4.471 4.340 0.000 0.000 0.205 3807 Q C 0.711 176.689 176.000 -0.037 0.000 0.954 3807 Q CA 0.414 56.200 55.803 -0.028 0.000 0.901 3807 Q CB -0.457 28.254 28.738 -0.045 0.000 0.981 3807 Q HN 0.679 nan 8.270 nan 0.000 0.483 3808 M N 2.251 121.829 119.600 -0.037 0.000 2.245 3808 M HA 0.194 4.674 4.480 0.000 0.000 0.344 3808 M C -1.920 174.363 176.300 -0.029 0.000 1.170 3808 M CA -1.738 53.538 55.300 -0.040 0.000 1.135 3808 M CB 0.389 32.962 32.600 -0.044 0.000 1.574 3808 M HN -0.054 nan 8.290 nan 0.000 0.452 3809 P HA -0.022 nan 4.420 nan 0.000 0.265 3809 P C -0.237 177.055 177.300 -0.013 0.000 1.187 3809 P CA 0.248 63.337 63.100 -0.018 0.000 0.766 3809 P CB 0.466 32.156 31.700 -0.017 0.000 0.820 3810 K N 2.260 122.657 120.400 -0.006 0.000 2.426 3810 K HA 0.008 4.328 4.320 0.000 0.000 0.193 3810 K C 0.149 176.755 176.600 0.010 0.000 1.028 3810 K CA 0.478 56.766 56.287 0.002 0.000 1.047 3810 K CB 0.094 32.594 32.500 0.002 0.000 0.821 3810 K HN 0.449 nan 8.250 nan 0.000 0.513 3811 K N -0.720 119.683 120.400 0.006 0.000 2.561 3811 K HA 0.263 4.584 4.320 0.000 0.000 0.254 3811 K C -1.541 175.064 176.600 0.009 0.000 0.942 3811 K CA -0.942 55.352 56.287 0.012 0.000 0.818 3811 K CB 2.047 34.551 32.500 0.007 0.000 1.306 3811 K HN -0.218 nan 8.250 nan 0.000 0.435 3812 V N 2.206 122.129 119.914 0.017 0.000 2.531 3812 V HA 0.437 4.557 4.120 0.000 0.000 0.301 3812 V C -0.159 175.948 176.094 0.023 0.000 1.034 3812 V CA -0.528 61.781 62.300 0.014 0.000 0.865 3812 V CB 1.815 33.643 31.823 0.009 0.000 0.995 3812 V HN 0.997 nan 8.190 nan 0.000 0.424 3813 T N 0.016 114.581 114.554 0.017 0.000 2.929 3813 T HA 0.534 4.884 4.350 0.000 0.000 0.284 3813 T C 0.179 174.891 174.700 0.021 0.000 1.014 3813 T CA -0.217 61.895 62.100 0.020 0.000 1.051 3813 T CB 1.277 70.153 68.868 0.014 0.000 1.028 3813 T HN 0.777 nan 8.240 nan 0.000 0.485 3814 D N 0.148 120.563 120.400 0.024 0.000 2.689 3814 D HA -0.156 4.484 4.640 0.000 0.000 0.237 3814 D C 0.303 176.620 176.300 0.028 0.000 1.148 3814 D CA 0.824 54.839 54.000 0.024 0.000 0.656 3814 D CB -1.279 39.532 40.800 0.018 0.000 1.050 3814 D HN 1.100 nan 8.370 nan 0.000 0.426 3815 A N 1.347 124.189 122.820 0.036 0.000 2.511 3815 A HA 0.354 4.674 4.320 0.000 0.000 0.242 3815 A C 0.510 178.121 177.584 0.046 0.000 1.069 3815 A CA 0.200 52.262 52.037 0.042 0.000 0.763 3815 A CB 0.545 19.581 19.000 0.060 0.000 1.001 3815 A HN 0.158 nan 8.150 nan 0.000 0.498 3816 K N 3.026 123.450 120.400 0.040 0.000 2.404 3816 K HA 0.383 4.703 4.320 0.000 0.000 0.257 3816 K C -1.214 175.419 176.600 0.055 0.000 1.026 3816 K CA -0.247 56.065 56.287 0.041 0.000 0.951 3816 K CB 0.936 33.452 32.500 0.027 0.000 1.203 3816 K HN 0.524 nan 8.250 nan 0.000 0.446 3817 I N 2.142 122.761 120.570 0.082 0.000 2.371 3817 I HA 0.201 4.371 4.170 0.000 0.000 0.290 3817 I C 0.370 176.555 176.117 0.113 0.000 1.028 3817 I CA -0.146 61.234 61.300 0.133 0.000 1.345 3817 I CB 1.362 39.477 38.000 0.193 0.000 1.407 3817 I HN 0.517 nan 8.210 nan 0.000 0.501 3818 A N 7.500 130.390 122.820 0.117 0.000 2.337 3818 A HA 0.856 5.176 4.320 0.000 0.000 0.329 3818 A C -0.793 176.876 177.584 0.142 0.000 1.146 3818 A CA -0.569 51.524 52.037 0.094 0.000 0.800 3818 A CB 0.707 19.739 19.000 0.054 0.000 1.220 3818 A HN 0.653 nan 8.150 nan 0.000 0.472 3819 L N 3.407 124.693 121.223 0.105 0.000 2.318 3819 L HA 0.420 4.760 4.340 0.000 0.000 0.277 3819 L C -0.919 175.993 176.870 0.070 0.000 1.008 3819 L CA -0.081 54.822 54.840 0.105 0.000 0.846 3819 L CB 0.959 43.059 42.059 0.068 0.000 1.220 3819 L HN 0.571 nan 8.230 nan 0.000 0.423 3820 L N 2.757 124.025 121.223 0.075 0.000 2.325 3820 L HA 0.432 4.772 4.340 0.000 0.000 0.278 3820 L C 0.785 177.685 176.870 0.049 0.000 1.023 3820 L CA -0.340 54.531 54.840 0.052 0.000 0.811 3820 L CB 1.901 43.988 42.059 0.046 0.000 1.249 3820 L HN 0.518 nan 8.230 nan 0.000 0.431 3821 N N 0.824 119.545 118.700 0.036 0.000 2.454 3821 N HA -0.016 4.724 4.740 0.000 0.000 0.177 3821 N C 0.501 176.027 175.510 0.027 0.000 1.049 3821 N CA -0.025 53.043 53.050 0.030 0.000 0.887 3821 N CB 0.331 38.831 38.487 0.022 0.000 1.095 3821 N HN 0.743 nan 8.380 nan 0.000 0.446 3822 C N 1.348 120.663 119.300 0.025 0.000 2.656 3822 C HA 0.779 5.239 4.460 0.000 0.000 0.391 3822 C C 0.984 175.989 174.990 0.025 0.000 1.300 3822 C CA -1.340 57.692 59.018 0.023 0.000 2.302 3822 C CB -0.448 27.305 27.740 0.021 0.000 2.655 3822 C HN 0.426 nan 8.230 nan 0.000 0.656 3823 A N 2.774 125.608 122.820 0.023 0.000 2.388 3823 A HA 0.580 4.900 4.320 0.000 0.000 0.257 3823 A C 0.182 177.782 177.584 0.026 0.000 1.095 3823 A CA -0.598 51.453 52.037 0.024 0.000 0.791 3823 A CB -0.059 18.954 19.000 0.022 0.000 1.029 3823 A HN 0.901 nan 8.150 nan 0.000 0.489 3824 I N 2.758 123.344 120.570 0.027 0.000 2.206 3824 I HA 0.182 4.352 4.170 0.000 0.000 0.292 3824 I C 0.441 176.579 176.117 0.035 0.000 1.156 3824 I CA 0.246 61.565 61.300 0.031 0.000 1.356 3824 I CB -0.693 37.326 38.000 0.032 0.000 1.494 3824 I HN 0.871 nan 8.210 nan 0.000 0.601 3825 E N 3.927 124.146 120.200 0.033 0.000 2.456 3825 E HA 0.469 4.819 4.350 0.000 0.000 0.276 3825 E C -0.753 175.868 176.600 0.034 0.000 0.981 3825 E CA -1.179 55.242 56.400 0.034 0.000 0.814 3825 E CB 1.513 31.230 29.700 0.028 0.000 1.382 3825 E HN 0.020 nan 8.360 nan 0.000 0.459 3826 I N 2.248 122.840 120.570 0.036 0.000 2.705 3826 I HA -0.028 4.142 4.170 0.000 0.000 0.291 3826 I C 0.653 176.788 176.117 0.031 0.000 1.146 3826 I CA 0.460 61.782 61.300 0.037 0.000 1.383 3826 I CB -0.374 37.651 38.000 0.042 0.000 1.454 3826 I HN 0.328 nan 8.210 nan 0.000 0.581 3827 K N 5.196 125.613 120.400 0.028 0.000 2.511 3827 K HA -0.058 4.262 4.320 0.000 0.000 0.280 3827 K C 0.038 176.652 176.600 0.024 0.000 1.008 3827 K CA 0.218 56.520 56.287 0.024 0.000 1.050 3827 K CB 0.390 32.903 32.500 0.022 0.000 0.889 3827 K HN 0.466 nan 8.250 nan 0.000 0.484 3828 E N 2.241 122.453 120.200 0.020 0.000 2.179 3828 E HA 0.151 4.501 4.350 0.000 0.000 0.275 3828 E C -0.836 175.774 176.600 0.015 0.000 0.945 3828 E CA -0.553 55.858 56.400 0.018 0.000 0.792 3828 E CB 0.987 30.695 29.700 0.014 0.000 1.125 3828 E HN 0.578 nan 8.360 nan 0.000 0.397 3829 T N 1.934 116.498 114.554 0.015 0.000 2.903 3829 T HA 0.095 4.445 4.350 0.000 0.000 0.314 3829 T C 0.886 175.592 174.700 0.010 0.000 1.078 3829 T CA -0.491 61.617 62.100 0.014 0.000 1.114 3829 T CB 0.753 69.630 68.868 0.015 0.000 0.987 3829 T HN 0.448 nan 8.240 nan 0.000 0.548 3830 E N 0.726 120.932 120.200 0.010 0.000 2.046 3830 E HA -0.027 4.324 4.350 0.000 0.000 0.190 3830 E C 1.302 177.906 176.600 0.006 0.000 0.982 3830 E CA 0.902 57.307 56.400 0.008 0.000 0.800 3830 E CB -0.580 29.124 29.700 0.008 0.000 0.756 3830 E HN 0.795 nan 8.360 nan 0.000 0.449 3831 T N 1.852 116.410 114.554 0.006 0.000 2.930 3831 T HA -0.005 4.345 4.350 0.000 0.000 0.306 3831 T C -0.327 174.375 174.700 0.004 0.000 1.045 3831 T CA -0.610 61.493 62.100 0.005 0.000 1.134 3831 T CB 0.356 69.227 68.868 0.006 0.000 0.961 3831 T HN -0.178 nan 8.240 nan 0.000 0.545 3832 D N 2.734 123.136 120.400 0.002 0.000 2.450 3832 D HA 0.471 5.111 4.640 0.000 0.000 0.247 3832 D C -0.247 176.052 176.300 -0.002 0.000 1.162 3832 D CA 0.515 54.515 54.000 -0.001 0.000 0.879 3832 D CB 0.705 41.503 40.800 -0.002 0.000 1.163 3832 D HN 0.743 nan 8.370 nan 0.000 0.472 3833 A N 2.802 125.620 122.820 -0.004 0.000 2.547 3833 A HA 0.601 4.921 4.320 0.000 0.000 0.297 3833 A C -0.785 176.789 177.584 -0.017 0.000 1.056 3833 A CA -0.774 51.259 52.037 -0.006 0.000 0.688 3833 A CB 1.657 20.658 19.000 0.002 0.000 1.282 3833 A HN 0.459 nan 8.150 nan 0.000 0.400 3834 E N 0.857 121.039 120.200 -0.029 0.000 2.356 3834 E HA 0.503 4.853 4.350 0.000 0.000 0.275 3834 E C -1.465 175.085 176.600 -0.083 0.000 0.904 3834 E CA -0.836 55.532 56.400 -0.053 0.000 0.757 3834 E CB 2.299 31.970 29.700 -0.049 0.000 1.232 3834 E HN 0.494 nan 8.360 nan 0.000 0.442 3835 I N 2.053 122.535 120.570 -0.147 0.000 2.472 3835 I HA 0.183 4.353 4.170 0.000 0.000 0.290 3835 I C -0.011 175.959 176.117 -0.246 0.000 1.016 3835 I CA -0.253 60.884 61.300 -0.271 0.000 1.348 3835 I CB 0.483 38.152 38.000 -0.552 0.000 1.417 3835 I HN 0.195 nan 8.210 nan 0.000 0.521 3836 R N 6.974 127.345 120.500 -0.216 0.000 2.363 3836 R HA 0.478 4.818 4.340 0.000 0.000 0.297 3836 R C -0.927 175.299 176.300 -0.123 0.000 1.208 3836 R CA -0.527 55.491 56.100 -0.136 0.000 1.121 3836 R CB 0.681 30.940 30.300 -0.068 0.000 1.124 3836 R HN 0.547 nan 8.270 nan 0.000 0.561 3837 I N 0.969 121.451 120.570 -0.147 0.000 2.395 3837 I HA 0.113 4.283 4.170 0.000 0.000 0.289 3837 I C 1.318 177.430 176.117 -0.009 0.000 1.023 3837 I CA 0.261 61.524 61.300 -0.062 0.000 1.350 3837 I CB 1.551 39.512 38.000 -0.066 0.000 1.409 3837 I HN 0.357 nan 8.210 nan 0.000 0.507 3838 T N 3.109 117.681 114.554 0.030 0.000 3.262 3838 T HA 0.113 4.463 4.350 0.000 0.000 0.300 3838 T C -0.502 174.218 174.700 0.035 0.000 0.959 3838 T CA -0.154 61.961 62.100 0.024 0.000 0.936 3838 T CB -0.212 68.668 68.868 0.019 0.000 1.169 3838 T HN 0.619 nan 8.240 nan 0.000 0.532 3839 D N 0.639 121.071 120.400 0.052 0.000 2.896 3839 D HA 0.355 4.995 4.640 0.000 0.000 0.241 3839 D C -2.187 174.145 176.300 0.052 0.000 1.188 3839 D CA -1.810 52.218 54.000 0.048 0.000 0.879 3839 D CB 2.850 43.681 40.800 0.051 0.000 1.553 3839 D HN -0.154 nan 8.370 nan 0.000 0.515 3840 P HA -0.135 nan 4.420 nan 0.000 0.217 3840 P C 0.963 178.286 177.300 0.039 0.000 1.148 3840 P CA 1.353 64.474 63.100 0.034 0.000 0.834 3840 P CB 0.335 32.049 31.700 0.023 0.000 0.783 3841 A N -0.303 122.539 122.820 0.036 0.000 1.898 3841 A HA -0.193 4.127 4.320 0.000 0.000 0.216 3841 A C 2.083 179.694 177.584 0.044 0.000 1.181 3841 A CA 1.580 53.635 52.037 0.030 0.000 0.620 3841 A CB -0.881 18.130 19.000 0.017 0.000 0.819 3841 A HN 0.151 nan 8.150 nan 0.000 0.442 3842 K N -0.812 119.637 120.400 0.081 0.000 2.148 3842 K HA -0.046 4.274 4.320 0.000 0.000 0.204 3842 K C 1.820 178.574 176.600 0.256 0.000 1.050 3842 K CA 1.040 57.426 56.287 0.166 0.000 0.942 3842 K CB -0.307 32.344 32.500 0.252 0.000 0.724 3842 K HN 0.376 nan 8.250 nan 0.000 0.446 3843 L N 1.000 122.318 121.223 0.159 0.000 2.042 3843 L HA -0.199 4.141 4.340 0.000 0.000 0.210 3843 L C 1.995 178.938 176.870 0.122 0.000 1.076 3843 L CA 1.772 56.689 54.840 0.129 0.000 0.749 3843 L CB -0.223 41.877 42.059 0.069 0.000 0.893 3843 L HN 0.178 nan 8.230 nan 0.000 0.432 3844 M N -1.270 118.381 119.600 0.084 0.000 2.193 3844 M HA -0.067 4.414 4.480 0.000 0.000 0.265 3844 M C 2.150 178.475 176.300 0.042 0.000 1.071 3844 M CA 1.134 56.467 55.300 0.054 0.000 1.140 3844 M CB -1.106 31.512 32.600 0.030 0.000 1.369 3844 M HN 0.247 nan 8.290 nan 0.000 0.423 3845 E N 0.013 120.224 120.200 0.019 0.000 2.051 3845 E HA -0.136 4.214 4.350 0.000 0.000 0.192 3845 E C 2.071 178.609 176.600 -0.103 0.000 0.991 3845 E CA 1.403 57.754 56.400 -0.082 0.000 0.799 3845 E CB -0.415 29.176 29.700 -0.182 0.000 0.748 3845 E HN 0.455 nan 8.360 nan 0.000 0.449 3846 F N 0.657 120.610 119.950 0.005 0.000 2.206 3846 F HA -0.051 4.477 4.527 0.000 0.000 0.298 3846 F C 2.400 178.205 175.800 0.008 0.000 1.090 3846 F CA 0.551 58.554 58.000 0.006 0.000 1.323 3846 F CB -0.165 38.837 39.000 0.005 0.000 1.028 3846 F HN -0.053 nan 8.300 nan 0.000 0.492 3847 I N -0.125 120.559 120.570 0.189 0.000 2.286 3847 I HA -0.263 3.907 4.170 0.000 0.000 0.248 3847 I C 2.015 178.176 176.117 0.074 0.000 1.115 3847 I CA 1.513 62.879 61.300 0.110 0.000 1.392 3847 I CB -0.397 37.650 38.000 0.078 0.000 1.065 3847 I HN 0.175 nan 8.210 nan 0.000 0.418 3848 E N -0.011 120.220 120.200 0.052 0.000 2.216 3848 E HA -0.233 4.117 4.350 0.000 0.000 0.192 3848 E C 2.030 178.640 176.600 0.017 0.000 0.988 3848 E CA 0.521 56.938 56.400 0.029 0.000 0.834 3848 E CB 0.035 29.741 29.700 0.009 0.000 0.772 3848 E HN 0.330 nan 8.360 nan 0.000 0.479 3849 Q N 1.021 120.824 119.800 0.005 0.000 2.172 3849 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 3849 Q C 1.769 177.789 176.000 0.034 0.000 0.964 3849 Q CA 1.137 56.932 55.803 -0.014 0.000 0.855 3849 Q CB 0.213 28.900 28.738 -0.084 0.000 0.918 3849 Q HN 0.147 nan 8.270 nan 0.000 0.444 3850 E N 0.286 120.528 120.200 0.071 0.000 2.051 3850 E HA -0.198 4.152 4.350 0.000 0.000 0.192 3850 E C 1.718 178.355 176.600 0.063 0.000 0.991 3850 E CA 1.124 57.568 56.400 0.073 0.000 0.799 3850 E CB -0.155 29.595 29.700 0.082 0.000 0.748 3850 E HN 0.481 nan 8.360 nan 0.000 0.449 3851 E N 1.388 121.628 120.200 0.066 0.000 2.150 3851 E HA -0.197 4.153 4.350 0.000 0.000 0.193 3851 E C 1.927 178.565 176.600 0.064 0.000 0.985 3851 E CA 1.032 57.485 56.400 0.089 0.000 0.814 3851 E CB 0.132 29.890 29.700 0.097 0.000 0.752 3851 E HN -0.055 nan 8.360 nan 0.000 0.466 3852 K N 0.844 121.258 120.400 0.024 0.000 2.057 3852 K HA -0.072 4.249 4.320 0.000 0.000 0.206 3852 K C 2.294 178.881 176.600 -0.022 0.000 1.050 3852 K CA 1.468 57.745 56.287 -0.016 0.000 0.935 3852 K CB -0.535 31.951 32.500 -0.025 0.000 0.715 3852 K HN 0.148 nan 8.250 nan 0.000 0.439 3853 M N -0.199 119.402 119.600 0.002 0.000 2.065 3853 M HA -0.180 4.300 4.480 0.000 0.000 0.259 3853 M C 1.858 178.164 176.300 0.009 0.000 1.069 3853 M CA 1.744 57.047 55.300 0.006 0.000 1.110 3853 M CB -0.268 32.346 32.600 0.024 0.000 1.328 3853 M HN 0.264 nan 8.290 nan 0.000 0.405 3854 L N 0.765 122.008 121.223 0.033 0.000 2.083 3854 L HA -0.197 4.144 4.340 0.000 0.000 0.209 3854 L C 2.366 179.262 176.870 0.043 0.000 1.083 3854 L CA 1.954 56.829 54.840 0.057 0.000 0.752 3854 L CB -0.779 41.339 42.059 0.098 0.000 0.899 3854 L HN 0.350 nan 8.230 nan 0.000 0.433 3855 K N -0.845 119.543 120.400 -0.021 0.000 2.057 3855 K HA -0.197 4.123 4.320 0.000 0.000 0.207 3855 K C 1.601 178.099 176.600 -0.169 0.000 1.049 3855 K CA 1.770 57.914 56.287 -0.238 0.000 0.931 3855 K CB -0.091 32.154 32.500 -0.425 0.000 0.714 3855 K HN 0.344 nan 8.250 nan 0.000 0.440 3856 D N 0.400 120.743 120.400 -0.095 0.000 2.183 3856 D HA -0.112 4.528 4.640 0.000 0.000 0.203 3856 D C 1.880 178.156 176.300 -0.040 0.000 0.969 3856 D CA 1.067 55.026 54.000 -0.068 0.000 0.842 3856 D CB -0.017 40.755 40.800 -0.046 0.000 0.957 3856 D HN 0.305 nan 8.370 nan 0.000 0.484 3857 M N -0.041 119.547 119.600 -0.021 0.000 2.117 3857 M HA -0.131 4.349 4.480 0.000 0.000 0.262 3857 M C 2.223 178.523 176.300 0.000 0.000 1.065 3857 M CA 0.903 56.203 55.300 -0.001 0.000 1.114 3857 M CB -0.069 32.541 32.600 0.016 0.000 1.361 3857 M HN -0.108 nan 8.290 nan 0.000 0.408 3858 V N 0.245 120.159 119.914 -0.000 0.000 2.358 3858 V HA -0.213 3.908 4.120 0.000 0.000 0.246 3858 V C 2.607 178.691 176.094 -0.016 0.000 1.047 3858 V CA 1.885 64.190 62.300 0.008 0.000 1.035 3858 V CB -1.147 30.701 31.823 0.043 0.000 0.658 3858 V HN 0.513 nan 8.190 nan 0.000 0.452 3859 A N -0.357 122.437 122.820 -0.045 0.000 1.933 3859 A HA -0.245 4.075 4.320 0.000 0.000 0.218 3859 A C 2.167 179.735 177.584 -0.026 0.000 1.175 3859 A CA 1.898 53.907 52.037 -0.046 0.000 0.628 3859 A CB -0.405 18.555 19.000 -0.066 0.000 0.814 3859 A HN 0.638 nan 8.150 nan 0.000 0.444 3860 E N -0.424 119.764 120.200 -0.020 0.000 2.107 3860 E HA -0.086 4.264 4.350 0.000 0.000 0.191 3860 E C 1.838 178.436 176.600 -0.004 0.000 0.982 3860 E CA 0.970 57.364 56.400 -0.010 0.000 0.809 3860 E CB -0.242 29.455 29.700 -0.007 0.000 0.756 3860 E HN 0.700 nan 8.360 nan 0.000 0.459 3861 I N 1.210 121.779 120.570 -0.002 0.000 2.226 3861 I HA -0.274 3.896 4.170 0.000 0.000 0.245 3861 I C 2.444 178.561 176.117 -0.001 0.000 1.100 3861 I CA 0.998 62.300 61.300 0.002 0.000 1.374 3861 I CB -0.118 37.885 38.000 0.005 0.000 1.057 3861 I HN -0.018 nan 8.210 nan 0.000 0.413 3862 K N 1.672 122.069 120.400 -0.005 0.000 2.097 3862 K HA -0.073 4.247 4.320 0.000 0.000 0.205 3862 K C 2.025 178.622 176.600 -0.006 0.000 1.050 3862 K CA 1.618 57.901 56.287 -0.007 0.000 0.938 3862 K CB -0.408 32.086 32.500 -0.011 0.000 0.718 3862 K HN 0.254 nan 8.250 nan 0.000 0.442 3863 A N 0.357 123.172 122.820 -0.007 0.000 1.978 3863 A HA -0.166 4.154 4.320 0.000 0.000 0.220 3863 A C 2.130 179.713 177.584 -0.002 0.000 1.170 3863 A CA 2.165 54.199 52.037 -0.006 0.000 0.636 3863 A CB -1.037 17.959 19.000 -0.008 0.000 0.810 3863 A HN 0.555 nan 8.150 nan 0.000 0.448 3864 S N -1.689 114.012 115.700 0.001 0.000 2.442 3864 S HA 0.231 4.701 4.470 0.000 0.000 0.236 3864 S C 1.643 176.247 174.600 0.007 0.000 1.007 3864 S CA 1.483 59.686 58.200 0.005 0.000 0.965 3864 S CB -0.540 62.665 63.200 0.009 0.000 0.773 3864 S HN 1.988 nan 8.310 nan 0.000 0.504 3865 G N 0.569 109.372 108.800 0.004 0.000 2.176 3865 G HA2 -0.059 3.901 3.960 0.000 0.000 0.232 3865 G HA3 -0.059 3.901 3.960 0.000 0.000 0.232 3865 G C 0.256 175.160 174.900 0.007 0.000 0.986 3865 G CA -0.001 45.103 45.100 0.005 0.000 0.643 3865 G HN 1.365 nan 8.290 nan 0.000 0.522 3866 A N 0.408 123.233 122.820 0.008 0.000 2.498 3866 A HA 0.570 4.890 4.320 0.000 0.000 0.239 3866 A C 1.000 178.583 177.584 -0.001 0.000 1.068 3866 A CA 1.288 53.331 52.037 0.010 0.000 0.766 3866 A CB 0.130 19.137 19.000 0.012 0.000 1.003 3866 A HN 1.356 nan 8.150 nan 0.000 0.497 3867 N N -0.355 118.343 118.700 -0.003 0.000 2.067 3867 N HA 0.175 4.915 4.740 0.000 0.000 0.227 3867 N C -0.902 174.587 175.510 -0.036 0.000 1.348 3867 N CA 0.125 53.166 53.050 -0.016 0.000 0.879 3867 N CB 0.522 39.004 38.487 -0.008 0.000 1.109 3867 N HN 0.269 nan 8.380 nan 0.000 0.501 3868 V N 1.518 121.411 119.914 -0.035 0.000 2.487 3868 V HA 0.600 4.720 4.120 0.000 0.000 0.298 3868 V C -1.353 174.669 176.094 -0.121 0.000 1.028 3868 V CA -0.815 61.428 62.300 -0.094 0.000 0.860 3868 V CB 1.808 33.617 31.823 -0.024 0.000 0.991 3868 V HN 0.219 nan 8.190 nan 0.000 0.427 3869 L N 5.541 126.593 121.223 -0.285 0.000 2.410 3869 L HA 0.736 5.076 4.340 0.000 0.000 0.270 3869 L C -1.572 175.036 176.870 -0.437 0.000 0.983 3869 L CA -0.067 54.647 54.840 -0.209 0.000 0.822 3869 L CB 1.742 43.736 42.059 -0.108 0.000 1.285 3869 L HN 0.476 nan 8.230 nan 0.000 0.409 3870 F N 4.630 124.584 119.950 0.006 0.000 2.427 3870 F HA 0.486 5.013 4.527 0.000 0.000 0.348 3870 F C -0.041 175.762 175.800 0.004 0.000 1.125 3870 F CA -0.438 57.564 58.000 0.003 0.000 0.989 3870 F CB 1.602 40.602 39.000 -0.001 0.000 1.165 3870 F HN 0.507 nan 8.300 nan 0.000 0.442 3871 C N 4.891 124.273 119.300 0.136 0.000 2.303 3871 C HA 0.244 4.704 4.460 0.000 0.000 0.326 3871 C C 1.642 176.684 174.990 0.087 0.000 1.285 3871 C CA -0.404 58.667 59.018 0.088 0.000 1.675 3871 C CB 0.757 28.525 27.740 0.046 0.000 2.289 3871 C HN 0.965 nan 8.230 nan 0.000 0.512 3872 Q N 3.396 123.238 119.800 0.070 0.000 2.124 3872 Q HA -0.052 4.288 4.340 0.000 0.000 0.202 3872 Q C 0.791 176.814 176.000 0.039 0.000 0.977 3872 Q CA 1.632 57.466 55.803 0.051 0.000 0.850 3872 Q CB 0.180 28.939 28.738 0.035 0.000 0.901 3872 Q HN 0.758 nan 8.270 nan 0.000 0.429 3873 K N -1.146 119.275 120.400 0.035 0.000 2.632 3873 K HA 0.433 4.753 4.320 0.000 0.000 0.267 3873 K C 0.329 176.946 176.600 0.028 0.000 1.028 3873 K CA -0.203 56.101 56.287 0.028 0.000 1.045 3873 K CB 0.145 32.660 32.500 0.024 0.000 1.400 3873 K HN 0.114 nan 8.250 nan 0.000 0.522 3874 G N 0.263 109.077 108.800 0.023 0.000 2.634 3874 G HA2 0.428 4.388 3.960 0.000 0.000 0.255 3874 G HA3 0.428 4.388 3.960 0.000 0.000 0.255 3874 G C -0.522 174.391 174.900 0.022 0.000 1.205 3874 G CA -0.513 44.600 45.100 0.021 0.000 0.884 3874 G HN 0.371 nan 8.290 nan 0.000 0.549 3875 I N 0.350 120.932 120.570 0.019 0.000 2.499 3875 I HA 0.169 4.339 4.170 0.000 0.000 0.288 3875 I C -0.584 175.546 176.117 0.021 0.000 1.048 3875 I CA -0.790 60.523 61.300 0.021 0.000 1.062 3875 I CB 2.151 40.160 38.000 0.016 0.000 1.238 3875 I HN 0.420 nan 8.210 nan 0.000 0.426 3876 D N 5.240 125.657 120.400 0.028 0.000 2.414 3876 D HA -0.037 4.603 4.640 0.000 0.000 0.242 3876 D C 0.631 176.945 176.300 0.024 0.000 1.129 3876 D CA 0.141 54.157 54.000 0.026 0.000 0.885 3876 D CB 1.320 42.141 40.800 0.035 0.000 1.198 3876 D HN 0.496 nan 8.370 nan 0.000 0.437 3877 D N 3.133 123.540 120.400 0.012 0.000 2.190 3877 D HA -0.169 4.471 4.640 0.000 0.000 0.200 3877 D C 1.911 178.208 176.300 -0.005 0.000 0.992 3877 D CA 0.764 54.764 54.000 0.001 0.000 0.854 3877 D CB 0.261 41.054 40.800 -0.012 0.000 0.936 3877 D HN 0.342 nan 8.370 nan 0.000 0.462 3878 L N 1.005 122.226 121.223 -0.003 0.000 2.056 3878 L HA -0.075 4.266 4.340 0.000 0.000 0.207 3878 L C 2.524 179.422 176.870 0.046 0.000 1.078 3878 L CA 1.223 56.049 54.840 -0.023 0.000 0.749 3878 L CB -1.067 41.009 42.059 0.028 0.000 0.901 3878 L HN -0.051 nan 8.230 nan 0.000 0.433 3879 A N -1.334 121.551 122.820 0.108 0.000 1.930 3879 A HA -0.225 4.095 4.320 0.000 0.000 0.217 3879 A C 2.213 179.862 177.584 0.107 0.000 1.175 3879 A CA 1.324 53.453 52.037 0.155 0.000 0.627 3879 A CB -0.432 18.630 19.000 0.105 0.000 0.815 3879 A HN 0.525 nan 8.150 nan 0.000 0.443 3880 Q N -1.280 118.554 119.800 0.056 0.000 2.084 3880 Q HA -0.217 4.123 4.340 0.000 0.000 0.202 3880 Q C 2.156 178.169 176.000 0.022 0.000 0.978 3880 Q CA 1.532 57.352 55.803 0.029 0.000 0.844 3880 Q CB -0.391 28.357 28.738 0.017 0.000 0.898 3880 Q HN 0.910 nan 8.270 nan 0.000 0.426 3881 H N -0.253 118.763 119.070 -0.090 0.000 2.293 3881 H HA -0.163 4.393 4.556 0.000 0.000 0.300 3881 H C 1.547 176.815 175.328 -0.100 0.000 1.082 3881 H CA 1.588 57.545 56.048 -0.151 0.000 1.308 3881 H CB -0.056 29.530 29.762 -0.295 0.000 1.375 3881 H HN 0.266 nan 8.280 nan 0.000 0.495 3882 Y N 0.911 121.229 120.300 0.030 0.000 2.274 3882 Y HA -0.120 4.431 4.550 0.000 0.000 0.290 3882 Y C 2.963 178.815 175.900 -0.080 0.000 1.145 3882 Y CA 0.636 58.718 58.100 -0.029 0.000 1.203 3882 Y CB -0.523 37.975 38.460 0.063 0.000 0.984 3882 Y HN 0.155 nan 8.280 nan 0.000 0.533 3883 L N -1.112 120.164 121.223 0.089 0.000 2.046 3883 L HA -0.236 4.104 4.340 0.000 0.000 0.208 3883 L C 2.641 179.491 176.870 -0.034 0.000 1.077 3883 L CA 1.223 56.075 54.840 0.020 0.000 0.747 3883 L CB -0.813 41.251 42.059 0.009 0.000 0.896 3883 L HN 0.192 nan 8.230 nan 0.000 0.432 3884 A N -0.447 122.325 122.820 -0.080 0.000 1.933 3884 A HA -0.168 4.152 4.320 0.000 0.000 0.218 3884 A C 2.249 179.759 177.584 -0.124 0.000 1.175 3884 A CA 1.377 53.349 52.037 -0.108 0.000 0.628 3884 A CB -0.233 18.686 19.000 -0.135 0.000 0.814 3884 A HN 0.195 nan 8.150 nan 0.000 0.444 3885 K N -0.044 120.252 120.400 -0.173 0.000 2.296 3885 K HA -0.003 4.317 4.320 0.000 0.000 0.200 3885 K C 1.150 177.725 176.600 -0.043 0.000 1.048 3885 K CA 0.640 56.852 56.287 -0.125 0.000 0.966 3885 K CB -0.056 32.354 32.500 -0.150 0.000 0.754 3885 K HN 0.474 nan 8.250 nan 0.000 0.466 3886 E N -0.107 120.079 120.200 -0.024 0.000 2.489 3886 E HA 0.023 4.373 4.350 0.000 0.000 0.193 3886 E C 0.743 177.332 176.600 -0.020 0.000 1.057 3886 E CA 0.353 56.746 56.400 -0.012 0.000 0.866 3886 E CB 0.209 29.909 29.700 -0.002 0.000 0.916 3886 E HN 0.433 nan 8.360 nan 0.000 0.500 3887 G N 1.873 110.655 108.800 -0.030 0.000 2.147 3887 G HA2 -0.283 3.677 3.960 0.000 0.000 0.244 3887 G HA3 -0.283 3.677 3.960 0.000 0.000 0.244 3887 G C 0.243 175.124 174.900 -0.031 0.000 1.005 3887 G CA 0.146 45.228 45.100 -0.029 0.000 0.713 3887 G HN 0.257 nan 8.290 nan 0.000 0.515 3888 I N 1.153 121.703 120.570 -0.034 0.000 2.315 3888 I HA 0.442 4.612 4.170 0.000 0.000 0.291 3888 I C 1.019 177.101 176.117 -0.059 0.000 1.006 3888 I CA -1.143 60.133 61.300 -0.041 0.000 1.265 3888 I CB 1.562 39.542 38.000 -0.033 0.000 1.387 3888 I HN 0.151 nan 8.210 nan 0.000 0.475 3889 V N 3.827 123.695 119.914 -0.076 0.000 2.644 3889 V HA 0.937 5.057 4.120 0.000 0.000 0.295 3889 V C 0.051 176.044 176.094 -0.167 0.000 1.053 3889 V CA -0.227 62.011 62.300 -0.103 0.000 0.987 3889 V CB 1.264 33.029 31.823 -0.097 0.000 1.006 3889 V HN 0.855 nan 8.190 nan 0.000 0.472 3890 A N 3.234 125.950 122.820 -0.173 0.000 2.594 3890 A HA 1.004 5.324 4.320 0.000 0.000 0.295 3890 A C -0.468 177.000 177.584 -0.193 0.000 1.071 3890 A CA -0.331 51.577 52.037 -0.217 0.000 0.685 3890 A CB 1.741 20.668 19.000 -0.122 0.000 1.285 3890 A HN 2.449 nan 8.150 nan 0.000 0.405 3891 A N 1.434 124.119 122.820 -0.224 0.000 2.398 3891 A HA 0.764 5.084 4.320 0.000 0.000 0.301 3891 A C -0.153 177.428 177.584 -0.005 0.000 1.041 3891 A CA -0.550 51.434 52.037 -0.088 0.000 0.711 3891 A CB 0.944 19.916 19.000 -0.047 0.000 1.240 3891 A HN 1.352 nan 8.150 nan 0.000 0.420 3892 R N 1.691 122.201 120.500 0.016 0.000 2.608 3892 R HA 0.731 5.071 4.340 0.000 0.000 0.255 3892 R C -0.346 175.982 176.300 0.048 0.000 1.086 3892 R CA -0.742 55.378 56.100 0.033 0.000 1.125 3892 R CB 0.399 30.710 30.300 0.019 0.000 1.193 3892 R HN 0.504 nan 8.270 nan 0.000 0.553 3893 R N -0.944 119.582 120.500 0.043 0.000 3.516 3893 R HA -0.110 4.230 4.340 0.000 0.000 0.271 3893 R C -0.712 175.615 176.300 0.045 0.000 1.098 3893 R CA 0.571 56.693 56.100 0.037 0.000 0.732 3893 R CB -2.661 27.655 30.300 0.026 0.000 1.152 3893 R HN 0.527 nan 8.270 nan 0.000 0.455 3894 V N 1.509 121.463 119.914 0.067 0.000 2.572 3894 V HA 0.035 4.155 4.120 0.000 0.000 0.291 3894 V C 1.492 177.604 176.094 0.031 0.000 1.039 3894 V CA -0.129 62.215 62.300 0.073 0.000 1.055 3894 V CB 1.166 33.069 31.823 0.134 0.000 0.969 3894 V HN 0.149 nan 8.190 nan 0.000 0.482 3895 K N 4.139 124.545 120.400 0.010 0.000 2.489 3895 K HA -0.025 4.295 4.320 0.000 0.000 0.278 3895 K C 1.377 177.968 176.600 -0.015 0.000 1.000 3895 K CA 0.089 56.373 56.287 -0.006 0.000 1.012 3895 K CB 0.321 32.811 32.500 -0.017 0.000 0.903 3895 K HN 0.710 nan 8.250 nan 0.000 0.485 3896 K N 2.298 122.692 120.400 -0.010 0.000 2.113 3896 K HA -0.218 4.102 4.320 0.000 0.000 0.208 3896 K C 1.863 178.446 176.600 -0.028 0.000 1.047 3896 K CA 2.024 58.302 56.287 -0.014 0.000 0.928 3896 K CB -0.139 32.357 32.500 -0.008 0.000 0.716 3896 K HN 0.619 nan 8.250 nan 0.000 0.446 3897 S N 0.654 116.335 115.700 -0.031 0.000 2.368 3897 S HA -0.156 4.314 4.470 0.000 0.000 0.225 3897 S C 1.349 175.912 174.600 -0.062 0.000 1.030 3897 S CA 1.737 59.912 58.200 -0.040 0.000 0.999 3897 S CB -0.340 62.838 63.200 -0.036 0.000 0.844 3897 S HN 0.372 nan 8.310 nan 0.000 0.459 3898 D N 0.857 121.213 120.400 -0.074 0.000 2.144 3898 D HA -0.034 4.606 4.640 0.000 0.000 0.200 3898 D C 1.976 178.183 176.300 -0.155 0.000 0.978 3898 D CA 0.877 54.804 54.000 -0.120 0.000 0.833 3898 D CB -0.235 40.492 40.800 -0.121 0.000 0.961 3898 D HN 0.375 nan 8.370 nan 0.000 0.470 3899 M N 0.476 120.013 119.600 -0.106 0.000 2.159 3899 M HA -0.089 4.391 4.480 0.000 0.000 0.263 3899 M C 1.882 178.132 176.300 -0.084 0.000 1.063 3899 M CA 1.196 56.440 55.300 -0.093 0.000 1.110 3899 M CB -0.737 31.843 32.600 -0.034 0.000 1.374 3899 M HN 0.111 nan 8.290 nan 0.000 0.411 3900 E N -0.003 120.157 120.200 -0.067 0.000 2.107 3900 E HA -0.135 4.215 4.350 0.000 0.000 0.191 3900 E C 2.012 178.571 176.600 -0.068 0.000 0.982 3900 E CA 0.825 57.192 56.400 -0.054 0.000 0.809 3900 E CB 0.020 29.696 29.700 -0.040 0.000 0.756 3900 E HN 0.500 nan 8.360 nan 0.000 0.459 3901 K N 0.534 120.881 120.400 -0.088 0.000 2.148 3901 K HA -0.060 4.261 4.320 0.000 0.000 0.204 3901 K C 2.108 178.638 176.600 -0.117 0.000 1.050 3901 K CA 0.639 56.869 56.287 -0.095 0.000 0.942 3901 K CB 0.030 32.468 32.500 -0.104 0.000 0.724 3901 K HN 0.089 nan 8.250 nan 0.000 0.446 3902 L N 0.367 121.493 121.223 -0.161 0.000 2.093 3902 L HA -0.148 4.192 4.340 0.000 0.000 0.208 3902 L C 2.545 179.355 176.870 -0.101 0.000 1.085 3902 L CA 0.995 55.722 54.840 -0.188 0.000 0.755 3902 L CB -0.492 41.370 42.059 -0.329 0.000 0.904 3902 L HN 0.183 nan 8.230 nan 0.000 0.435 3903 A N 0.228 123.004 122.820 -0.073 0.000 1.877 3903 A HA -0.213 4.108 4.320 0.000 0.000 0.216 3903 A C 2.323 179.891 177.584 -0.026 0.000 1.186 3903 A CA 1.688 53.704 52.037 -0.035 0.000 0.620 3903 A CB -0.301 18.684 19.000 -0.026 0.000 0.822 3903 A HN 0.316 nan 8.150 nan 0.000 0.443 3904 K N -0.436 119.943 120.400 -0.035 0.000 2.103 3904 K HA 0.067 4.388 4.320 0.000 0.000 0.204 3904 K C 2.340 178.923 176.600 -0.028 0.000 1.052 3904 K CA 0.937 57.209 56.287 -0.026 0.000 0.945 3904 K CB -0.257 32.224 32.500 -0.032 0.000 0.722 3904 K HN 0.426 nan 8.250 nan 0.000 0.443 3905 A N 1.346 124.140 122.820 -0.044 0.000 1.840 3905 A HA -0.146 4.174 4.320 0.000 0.000 0.214 3905 A C 2.329 179.901 177.584 -0.021 0.000 1.198 3905 A CA 2.214 54.224 52.037 -0.045 0.000 0.608 3905 A CB -1.099 17.865 19.000 -0.060 0.000 0.839 3905 A HN 0.437 nan 8.150 nan 0.000 0.443 3906 T N -4.155 110.390 114.554 -0.016 0.000 3.043 3906 T HA 0.356 4.706 4.350 0.000 0.000 0.263 3906 T C 1.425 176.137 174.700 0.021 0.000 1.094 3906 T CA 1.245 63.351 62.100 0.009 0.000 1.127 3906 T CB -0.156 68.723 68.868 0.017 0.000 0.905 3906 T HN 1.853 nan 8.240 nan 0.000 0.490 3907 G N 1.349 110.157 108.800 0.014 0.000 2.137 3907 G HA2 -0.000 3.960 3.960 0.000 0.000 0.237 3907 G HA3 -0.000 3.960 3.960 0.000 0.000 0.237 3907 G C 0.220 175.131 174.900 0.020 0.000 1.002 3907 G CA -0.039 45.074 45.100 0.022 0.000 0.702 3907 G HN 1.175 nan 8.290 nan 0.000 0.515 3908 A N -0.385 122.445 122.820 0.016 0.000 2.407 3908 A HA 0.622 4.943 4.320 0.000 0.000 0.248 3908 A C 0.418 178.012 177.584 0.016 0.000 1.082 3908 A CA 0.375 52.426 52.037 0.023 0.000 0.785 3908 A CB 0.474 19.493 19.000 0.032 0.000 1.020 3908 A HN 0.774 nan 8.150 nan 0.000 0.489 3909 N N 1.218 119.930 118.700 0.021 0.000 2.421 3909 N HA 0.371 5.111 4.740 0.000 0.000 0.285 3909 N C -0.878 174.643 175.510 0.019 0.000 1.027 3909 N CA -0.364 52.696 53.050 0.017 0.000 0.918 3909 N CB 1.307 39.803 38.487 0.016 0.000 1.152 3909 N HN 0.281 nan 8.380 nan 0.000 0.485 3910 V N 4.901 124.824 119.914 0.014 0.000 2.446 3910 V HA 0.180 4.300 4.120 0.000 0.000 0.276 3910 V C 0.257 176.362 176.094 0.018 0.000 1.030 3910 V CA -0.086 62.224 62.300 0.016 0.000 1.033 3910 V CB -0.270 31.558 31.823 0.008 0.000 0.993 3910 V HN 0.514 nan 8.190 nan 0.000 0.477 3911 I N 4.007 124.592 120.570 0.024 0.000 2.474 3911 I HA 0.455 4.625 4.170 0.000 0.000 0.294 3911 I C 0.976 177.106 176.117 0.022 0.000 1.005 3911 I CA -0.375 60.938 61.300 0.022 0.000 1.113 3911 I CB 1.479 39.493 38.000 0.023 0.000 1.289 3911 I HN 0.602 nan 8.210 nan 0.000 0.436 3912 A N 5.481 128.312 122.820 0.018 0.000 1.840 3912 A HA 0.361 4.681 4.320 0.000 0.000 0.214 3912 A C 1.109 178.704 177.584 0.018 0.000 1.198 3912 A CA 1.111 53.158 52.037 0.017 0.000 0.608 3912 A CB -0.154 18.854 19.000 0.014 0.000 0.839 3912 A HN 0.732 nan 8.150 nan 0.000 0.443 3913 A N -1.101 121.729 122.820 0.017 0.000 2.312 3913 A HA 0.651 4.972 4.320 0.000 0.000 0.328 3913 A C 0.823 178.417 177.584 0.016 0.000 1.158 3913 A CA -0.571 51.476 52.037 0.016 0.000 0.821 3913 A CB 0.401 19.409 19.000 0.013 0.000 1.170 3913 A HN 0.347 nan 8.150 nan 0.000 0.490 3914 I N 1.482 122.062 120.570 0.016 0.000 2.226 3914 I HA -0.287 3.883 4.170 0.000 0.000 0.245 3914 I C 2.779 178.903 176.117 0.012 0.000 1.100 3914 I CA 1.750 63.059 61.300 0.015 0.000 1.374 3914 I CB -0.270 37.739 38.000 0.015 0.000 1.057 3914 I HN 0.760 nan 8.210 nan 0.000 0.413 3915 A N 0.727 123.553 122.820 0.010 0.000 1.978 3915 A HA -0.182 4.138 4.320 0.000 0.000 0.220 3915 A C 2.447 180.035 177.584 0.008 0.000 1.170 3915 A CA 1.866 53.907 52.037 0.007 0.000 0.636 3915 A CB -0.714 18.289 19.000 0.006 0.000 0.810 3915 A HN 0.457 nan 8.150 nan 0.000 0.448 3916 A N -0.743 122.083 122.820 0.010 0.000 2.168 3916 A HA 0.308 4.628 4.320 0.000 0.000 0.215 3916 A C 0.991 178.582 177.584 0.011 0.000 1.152 3916 A CA -0.024 52.019 52.037 0.010 0.000 0.716 3916 A CB -0.466 18.541 19.000 0.011 0.000 0.794 3916 A HN 0.460 nan 8.150 nan 0.000 0.465 3917 L N 1.457 122.688 121.223 0.013 0.000 2.490 3917 L HA 0.213 4.554 4.340 0.000 0.000 0.274 3917 L C 0.667 177.544 176.870 0.011 0.000 1.201 3917 L CA 0.252 55.100 54.840 0.014 0.000 0.869 3917 L CB 0.569 42.637 42.059 0.015 0.000 1.123 3917 L HN 0.491 nan 8.230 nan 0.000 0.484 3918 S N 1.209 116.916 115.700 0.013 0.000 2.625 3918 S HA 0.569 5.040 4.470 0.000 0.000 0.271 3918 S C 0.357 174.965 174.600 0.013 0.000 1.161 3918 S CA -0.291 57.915 58.200 0.011 0.000 0.820 3918 S CB 1.520 64.726 63.200 0.009 0.000 1.137 3918 S HN 0.601 nan 8.310 nan 0.000 0.470 3919 A N 0.571 123.397 122.820 0.011 0.000 1.978 3919 A HA -0.134 4.186 4.320 0.000 0.000 0.220 3919 A C 2.057 179.650 177.584 0.014 0.000 1.170 3919 A CA 2.024 54.069 52.037 0.013 0.000 0.636 3919 A CB -1.111 17.895 19.000 0.010 0.000 0.810 3919 A HN 0.901 nan 8.150 nan 0.000 0.448 3920 Q N -0.795 119.012 119.800 0.012 0.000 2.369 3920 Q HA -0.144 4.196 4.340 0.000 0.000 0.206 3920 Q C 0.533 176.542 176.000 0.015 0.000 0.963 3920 Q CA 1.292 57.102 55.803 0.013 0.000 0.894 3920 Q CB 0.007 28.751 28.738 0.010 0.000 0.965 3920 Q HN 0.610 nan 8.270 nan 0.000 0.475 3921 D N -0.147 120.263 120.400 0.017 0.000 2.354 3921 D HA 0.079 4.719 4.640 0.000 0.000 0.209 3921 D C 0.122 176.437 176.300 0.025 0.000 1.015 3921 D CA 0.212 54.223 54.000 0.019 0.000 0.867 3921 D CB 0.392 41.203 40.800 0.019 0.000 0.933 3921 D HN 0.272 nan 8.370 nan 0.000 0.520 3922 L N 0.705 121.944 121.223 0.027 0.000 2.395 3922 L HA 0.397 4.738 4.340 0.000 0.000 0.269 3922 L C 1.193 178.084 176.870 0.034 0.000 1.133 3922 L CA -0.503 54.358 54.840 0.034 0.000 0.812 3922 L CB 1.206 43.284 42.059 0.032 0.000 1.125 3922 L HN -0.138 nan 8.230 nan 0.000 0.452 3923 G N 0.530 109.356 108.800 0.043 0.000 2.491 3923 G HA2 0.499 4.459 3.960 0.000 0.000 0.327 3923 G HA3 0.499 4.459 3.960 0.000 0.000 0.327 3923 G C -1.341 173.586 174.900 0.046 0.000 1.189 3923 G CA -0.424 44.701 45.100 0.041 0.000 0.956 3923 G HN 0.519 nan 8.290 nan 0.000 0.491 3924 D N -0.327 120.098 120.400 0.042 0.000 2.362 3924 D HA 0.657 5.297 4.640 0.000 0.000 0.247 3924 D C -0.269 176.058 176.300 0.046 0.000 1.050 3924 D CA 0.058 54.084 54.000 0.043 0.000 0.839 3924 D CB 1.978 42.801 40.800 0.037 0.000 1.283 3924 D HN 0.590 nan 8.370 nan 0.000 0.477 3925 A N 0.425 123.276 122.820 0.051 0.000 2.486 3925 A HA 0.649 4.969 4.320 0.000 0.000 0.300 3925 A C 1.001 178.615 177.584 0.049 0.000 1.048 3925 A CA -0.407 51.662 52.037 0.053 0.000 0.696 3925 A CB 1.669 20.712 19.000 0.071 0.000 1.278 3925 A HN 0.487 nan 8.150 nan 0.000 0.405 3926 G N 0.180 109.007 108.800 0.044 0.000 2.402 3926 G HA2 0.311 4.271 3.960 0.000 0.000 0.216 3926 G HA3 0.311 4.271 3.960 0.000 0.000 0.216 3926 G C 0.279 175.203 174.900 0.040 0.000 1.162 3926 G CA 1.660 46.783 45.100 0.038 0.000 0.777 3926 G HN 1.178 nan 8.290 nan 0.000 0.539 3927 L N -0.155 121.099 121.223 0.051 0.000 2.493 3927 L HA 0.639 4.979 4.340 0.000 0.000 0.265 3927 L C -1.412 175.508 176.870 0.083 0.000 0.954 3927 L CA -0.800 54.073 54.840 0.055 0.000 0.844 3927 L CB 2.545 44.630 42.059 0.043 0.000 1.302 3927 L HN -0.133 nan 8.230 nan 0.000 0.405 3928 V N 4.219 124.183 119.914 0.084 0.000 2.407 3928 V HA 0.638 4.758 4.120 0.000 0.000 0.291 3928 V C -0.534 175.618 176.094 0.096 0.000 1.018 3928 V CA -0.440 61.929 62.300 0.114 0.000 0.842 3928 V CB 1.456 33.347 31.823 0.114 0.000 0.996 3928 V HN 0.827 nan 8.190 nan 0.000 0.426 3929 E N 3.187 123.467 120.200 0.133 0.000 2.292 3929 E HA 0.412 4.762 4.350 0.000 0.000 0.272 3929 E C -1.039 175.657 176.600 0.160 0.000 0.881 3929 E CA -0.656 55.805 56.400 0.101 0.000 0.754 3929 E CB 2.193 31.921 29.700 0.047 0.000 1.201 3929 E HN 0.751 nan 8.360 nan 0.000 0.425 3930 E N 4.315 124.579 120.200 0.108 0.000 2.130 3930 E HA 0.261 4.611 4.350 0.000 0.000 0.284 3930 E C -0.898 175.761 176.600 0.097 0.000 1.018 3930 E CA -0.286 56.189 56.400 0.125 0.000 0.817 3930 E CB 0.698 30.441 29.700 0.072 0.000 1.078 3930 E HN 0.354 nan 8.360 nan 0.000 0.396 3931 R N 3.428 124.023 120.500 0.158 0.000 2.807 3931 R HA 0.380 4.721 4.340 0.000 0.000 0.276 3931 R C -0.740 175.630 176.300 0.118 0.000 0.979 3931 R CA -0.964 55.177 56.100 0.070 0.000 0.928 3931 R CB 1.880 32.116 30.300 -0.106 0.000 1.191 3931 R HN 0.321 nan 8.270 nan 0.000 0.471 3932 K N 2.490 122.924 120.400 0.056 0.000 2.262 3932 K HA 0.335 4.655 4.320 0.000 0.000 0.282 3932 K C -0.482 176.158 176.600 0.066 0.000 1.066 3932 K CA -0.328 55.996 56.287 0.061 0.000 0.901 3932 K CB 0.792 33.311 32.500 0.031 0.000 1.089 3932 K HN 0.255 nan 8.250 nan 0.000 0.476 3933 I N 2.524 123.155 120.570 0.100 0.000 2.359 3933 I HA 0.051 4.221 4.170 0.000 0.000 0.284 3933 I C 0.699 176.853 176.117 0.061 0.000 1.018 3933 I CA -0.178 61.182 61.300 0.101 0.000 1.173 3933 I CB 0.655 38.760 38.000 0.175 0.000 1.326 3933 I HN 0.727 nan 8.210 nan 0.000 0.462 3934 S N 4.550 120.274 115.700 0.041 0.000 3.635 3934 S HA -0.212 4.258 4.470 0.000 0.000 0.328 3934 S C 1.389 176.002 174.600 0.022 0.000 1.135 3934 S CA 1.543 59.758 58.200 0.025 0.000 0.942 3934 S CB -1.046 62.167 63.200 0.022 0.000 0.930 3934 S HN 1.472 nan 8.310 nan 0.000 0.512 3935 G N -0.048 108.767 108.800 0.025 0.000 2.363 3935 G HA2 -0.283 3.677 3.960 0.000 0.000 0.238 3935 G HA3 -0.283 3.677 3.960 0.000 0.000 0.238 3935 G C -0.295 174.622 174.900 0.028 0.000 1.062 3935 G CA 0.306 45.419 45.100 0.022 0.000 0.629 3935 G HN 0.686 nan 8.290 nan 0.000 0.514 3936 D N 1.893 122.313 120.400 0.032 0.000 2.425 3936 D HA 0.460 5.100 4.640 0.000 0.000 0.247 3936 D C 1.020 177.352 176.300 0.053 0.000 1.147 3936 D CA 0.823 54.844 54.000 0.034 0.000 0.879 3936 D CB 1.275 42.091 40.800 0.027 0.000 1.179 3936 D HN 0.652 nan 8.370 nan 0.000 0.456 3937 S N 2.390 118.119 115.700 0.048 0.000 2.488 3937 S HA 0.461 4.931 4.470 0.000 0.000 0.278 3937 S C 0.129 174.771 174.600 0.070 0.000 1.259 3937 S CA -0.610 57.628 58.200 0.063 0.000 1.061 3937 S CB 0.502 63.730 63.200 0.046 0.000 0.910 3937 S HN 0.365 nan 8.310 nan 0.000 0.491 3938 M N 2.901 122.570 119.600 0.115 0.000 2.550 3938 M HA 0.517 4.997 4.480 0.000 0.000 0.292 3938 M C -1.094 175.297 176.300 0.150 0.000 1.221 3938 M CA -0.576 54.775 55.300 0.084 0.000 0.873 3938 M CB 2.283 34.907 32.600 0.040 0.000 1.727 3938 M HN 0.548 nan 8.290 nan 0.000 0.459 3939 I N 1.783 122.386 120.570 0.056 0.000 2.362 3939 I HA 0.367 4.537 4.170 0.000 0.000 0.289 3939 I C -1.332 174.795 176.117 0.017 0.000 0.994 3939 I CA -0.388 60.995 61.300 0.140 0.000 1.158 3939 I CB 1.064 39.170 38.000 0.177 0.000 1.315 3939 I HN 0.467 nan 8.210 nan 0.000 0.451 3940 F N 6.115 126.102 119.950 0.062 0.000 2.334 3940 F HA 0.333 4.860 4.527 0.000 0.000 0.367 3940 F C 0.130 175.965 175.800 0.060 0.000 1.115 3940 F CA -0.677 57.351 58.000 0.046 0.000 1.116 3940 F CB 1.226 40.243 39.000 0.028 0.000 1.230 3940 F HN 0.037 nan 8.300 nan 0.000 0.484 3941 V N 4.651 124.655 119.914 0.149 0.000 2.304 3941 V HA 0.315 4.435 4.120 0.000 0.000 0.269 3941 V C -0.136 176.013 176.094 0.092 0.000 1.036 3941 V CA -0.516 61.858 62.300 0.124 0.000 0.840 3941 V CB 0.344 32.217 31.823 0.084 0.000 1.036 3941 V HN 0.793 nan 8.190 nan 0.000 0.466 3942 E N 3.160 123.424 120.200 0.107 0.000 2.423 3942 E HA 0.608 4.959 4.350 0.000 0.000 0.269 3942 E C -0.727 175.909 176.600 0.060 0.000 0.948 3942 E CA -0.856 55.596 56.400 0.086 0.000 0.802 3942 E CB 1.568 31.338 29.700 0.117 0.000 1.339 3942 E HN 0.206 nan 8.360 nan 0.000 0.445 3943 E N -0.792 119.434 120.200 0.045 0.000 2.416 3943 E HA -0.150 4.200 4.350 0.000 0.000 0.249 3943 E C -0.726 175.894 176.600 0.032 0.000 1.124 3943 E CA 0.569 56.989 56.400 0.034 0.000 0.732 3943 E CB -2.289 27.431 29.700 0.034 0.000 1.286 3943 E HN 0.567 nan 8.360 nan 0.000 0.394 3944 C N 0.637 119.952 119.300 0.026 0.000 2.676 3944 C HA 0.068 4.528 4.460 0.000 0.000 0.416 3944 C C 2.282 177.291 174.990 0.031 0.000 1.299 3944 C CA -0.158 58.875 59.018 0.024 0.000 2.048 3944 C CB 0.452 28.195 27.740 0.006 0.000 2.713 3944 C HN 0.410 nan 8.230 nan 0.000 0.624 3945 K N 0.627 121.055 120.400 0.047 0.000 1.969 3945 K HA -0.145 4.175 4.320 0.000 0.000 0.216 3945 K C 0.601 177.270 176.600 0.115 0.000 1.048 3945 K CA 1.712 58.041 56.287 0.070 0.000 0.948 3945 K CB -0.124 32.418 32.500 0.070 0.000 0.726 3945 K HN 0.749 nan 8.250 nan 0.000 0.442 3946 H N 0.623 119.697 119.070 0.006 0.000 2.569 3946 H HA 0.217 4.773 4.556 0.000 0.000 0.247 3946 H C -2.675 172.653 175.328 0.001 0.000 1.346 3946 H CA -2.320 53.731 56.048 0.004 0.000 1.502 3946 H CB 0.539 30.302 29.762 0.003 0.000 1.512 3946 H HN -0.020 nan 8.280 nan 0.000 0.502 3947 P HA 0.075 nan 4.420 nan 0.000 0.271 3947 P C 0.317 177.478 177.300 -0.232 0.000 1.220 3947 P CA -0.265 62.747 63.100 -0.148 0.000 0.768 3947 P CB 1.669 33.310 31.700 -0.099 0.000 0.848 3948 K N 1.617 121.938 120.400 -0.131 0.000 2.374 3948 K HA 0.316 4.636 4.320 0.000 0.000 0.196 3948 K C -0.040 176.515 176.600 -0.075 0.000 1.023 3948 K CA -0.080 56.146 56.287 -0.102 0.000 1.103 3948 K CB 0.362 32.839 32.500 -0.037 0.000 0.848 3948 K HN 0.576 nan 8.250 nan 0.000 0.528 3949 A N 0.956 123.731 122.820 -0.075 0.000 2.427 3949 A HA 0.528 4.848 4.320 0.000 0.000 0.298 3949 A C -0.941 176.604 177.584 -0.065 0.000 1.036 3949 A CA -0.740 51.259 52.037 -0.063 0.000 0.701 3949 A CB 1.467 20.430 19.000 -0.061 0.000 1.250 3949 A HN 0.042 nan 8.150 nan 0.000 0.412 3950 V N -0.796 119.084 119.914 -0.057 0.000 3.074 3950 V HA 0.969 5.089 4.120 0.000 0.000 0.314 3950 V C -0.428 175.637 176.094 -0.049 0.000 1.117 3950 V CA -0.612 61.659 62.300 -0.049 0.000 1.014 3950 V CB 1.722 33.520 31.823 -0.041 0.000 1.057 3950 V HN 0.826 nan 8.190 nan 0.000 0.438 3951 T N 3.974 118.501 114.554 -0.045 0.000 2.841 3951 T HA 0.552 4.902 4.350 0.000 0.000 0.285 3951 T C -0.572 174.109 174.700 -0.032 0.000 0.991 3951 T CA -0.207 61.861 62.100 -0.053 0.000 0.966 3951 T CB 1.358 70.173 68.868 -0.089 0.000 0.962 3951 T HN 0.956 nan 8.240 nan 0.000 0.438 3952 M N 4.625 124.209 119.600 -0.028 0.000 2.101 3952 M HA 0.544 5.024 4.480 0.000 0.000 0.340 3952 M C -1.419 174.875 176.300 -0.010 0.000 1.057 3952 M CA -1.087 54.208 55.300 -0.009 0.000 0.984 3952 M CB 0.562 33.157 32.600 -0.008 0.000 1.560 3952 M HN 0.484 nan 8.290 nan 0.000 0.435 3953 L N 7.060 128.290 121.223 0.013 0.000 2.257 3953 L HA 0.518 4.858 4.340 0.000 0.000 0.290 3953 L C -1.386 175.502 176.870 0.030 0.000 1.044 3953 L CA -0.034 54.819 54.840 0.022 0.000 0.810 3953 L CB 0.807 42.908 42.059 0.071 0.000 1.193 3953 L HN 0.674 nan 8.230 nan 0.000 0.425 3954 I N 5.965 126.545 120.570 0.017 0.000 2.331 3954 I HA 0.481 4.651 4.170 0.000 0.000 0.292 3954 I C 0.162 176.293 176.117 0.022 0.000 0.998 3954 I CA -0.074 61.236 61.300 0.017 0.000 1.267 3954 I CB 0.687 38.692 38.000 0.009 0.000 1.386 3954 I HN 0.522 nan 8.210 nan 0.000 0.476 3955 R N 3.995 124.509 120.500 0.024 0.000 2.873 3955 R HA 0.944 5.284 4.340 0.000 0.000 0.264 3955 R C -0.232 176.079 176.300 0.019 0.000 1.026 3955 R CA -1.153 54.961 56.100 0.024 0.000 1.002 3955 R CB 1.798 32.114 30.300 0.028 0.000 1.174 3955 R HN 0.821 nan 8.270 nan 0.000 0.488 3956 G N -0.871 107.939 108.800 0.017 0.000 2.340 3956 G HA2 0.062 4.022 3.960 0.000 0.000 0.298 3956 G HA3 0.062 4.022 3.960 0.000 0.000 0.298 3956 G C -0.009 174.900 174.900 0.015 0.000 1.498 3956 G CA -0.560 44.550 45.100 0.017 0.000 0.847 3956 G HN 0.303 nan 8.290 nan 0.000 0.594 3957 T N 0.372 114.936 114.554 0.017 0.000 2.915 3957 T HA 0.200 4.550 4.350 0.000 0.000 0.269 3957 T C 0.865 175.574 174.700 0.015 0.000 1.071 3957 T CA 2.027 64.136 62.100 0.016 0.000 1.132 3957 T CB -0.162 68.717 68.868 0.019 0.000 0.878 3957 T HN 0.666 nan 8.240 nan 0.000 0.479 3958 T N -0.172 114.392 114.554 0.017 0.000 2.853 3958 T HA 0.280 4.630 4.350 0.000 0.000 0.311 3958 T C 0.604 175.297 174.700 -0.012 0.000 1.307 3958 T CA -0.746 61.359 62.100 0.009 0.000 1.019 3958 T CB 2.550 71.441 68.868 0.038 0.000 1.264 3958 T HN -0.081 nan 8.240 nan 0.000 0.497 3959 E N 0.799 120.955 120.200 -0.073 0.000 2.086 3959 E HA -0.256 4.094 4.350 0.000 0.000 0.200 3959 E C 1.543 178.061 176.600 -0.136 0.000 1.012 3959 E CA 2.053 58.367 56.400 -0.144 0.000 0.812 3959 E CB -0.127 29.418 29.700 -0.258 0.000 0.743 3959 E HN 0.626 nan 8.360 nan 0.000 0.453 3960 H N -0.936 118.137 119.070 0.004 0.000 2.495 3960 H HA 0.014 4.570 4.556 0.000 0.000 0.287 3960 H C 2.122 177.452 175.328 0.004 0.000 1.033 3960 H CA 1.212 57.261 56.048 0.003 0.000 1.307 3960 H CB -0.009 29.754 29.762 0.002 0.000 1.401 3960 H HN 0.120 nan 8.280 nan 0.000 0.555 3961 V N 2.033 122.013 119.914 0.109 0.000 2.283 3961 V HA -0.211 3.909 4.120 0.000 0.000 0.243 3961 V C 2.673 178.793 176.094 0.043 0.000 1.039 3961 V CA 1.744 64.083 62.300 0.064 0.000 1.016 3961 V CB -0.570 31.280 31.823 0.046 0.000 0.650 3961 V HN 0.408 nan 8.190 nan 0.000 0.449 3962 I N -1.017 119.568 120.570 0.026 0.000 2.614 3962 I HA -0.161 4.009 4.170 0.000 0.000 0.258 3962 I C 2.256 178.382 176.117 0.016 0.000 1.189 3962 I CA 1.904 63.213 61.300 0.015 0.000 1.462 3962 I CB -0.519 37.483 38.000 0.003 0.000 1.092 3962 I HN 0.427 nan 8.210 nan 0.000 0.442 3963 E N 1.863 122.078 120.200 0.025 0.000 2.047 3963 E HA -0.293 4.057 4.350 0.000 0.000 0.191 3963 E C 2.210 178.834 176.600 0.040 0.000 0.987 3963 E CA 1.386 57.807 56.400 0.035 0.000 0.799 3963 E CB -0.100 29.642 29.700 0.069 0.000 0.752 3963 E HN 0.681 nan 8.360 nan 0.000 0.449 3964 E N -0.173 120.056 120.200 0.049 0.000 2.106 3964 E HA -0.146 4.204 4.350 0.000 0.000 0.192 3964 E C 2.069 178.684 176.600 0.025 0.000 0.984 3964 E CA 1.092 57.514 56.400 0.036 0.000 0.806 3964 E CB 0.245 29.968 29.700 0.037 0.000 0.750 3964 E HN 0.168 nan 8.360 nan 0.000 0.458 3965 V N 1.037 120.965 119.914 0.024 0.000 2.379 3965 V HA -0.209 3.912 4.120 0.000 0.000 0.245 3965 V C 2.427 178.529 176.094 0.013 0.000 1.044 3965 V CA 1.629 63.941 62.300 0.018 0.000 1.036 3965 V CB -0.652 31.182 31.823 0.018 0.000 0.664 3965 V HN 0.408 nan 8.190 nan 0.000 0.453 3966 A N 0.549 123.376 122.820 0.011 0.000 1.908 3966 A HA -0.292 4.028 4.320 0.000 0.000 0.218 3966 A C 2.304 179.891 177.584 0.005 0.000 1.181 3966 A CA 2.370 54.410 52.037 0.005 0.000 0.627 3966 A CB -0.537 18.464 19.000 0.002 0.000 0.818 3966 A HN 0.481 nan 8.150 nan 0.000 0.445 3967 R N 0.083 120.589 120.500 0.010 0.000 2.075 3967 R HA 0.009 4.350 4.340 0.000 0.000 0.232 3967 R C 2.152 178.457 176.300 0.008 0.000 1.126 3967 R CA 1.921 58.026 56.100 0.009 0.000 0.963 3967 R CB -0.842 29.465 30.300 0.012 0.000 0.858 3967 R HN 0.377 nan 8.270 nan 0.000 0.435 3968 A N 0.200 123.026 122.820 0.011 0.000 1.877 3968 A HA -0.122 4.198 4.320 0.000 0.000 0.216 3968 A C 2.240 179.829 177.584 0.008 0.000 1.186 3968 A CA 1.982 54.026 52.037 0.011 0.000 0.620 3968 A CB -0.952 18.057 19.000 0.015 0.000 0.822 3968 A HN 0.332 nan 8.150 nan 0.000 0.443 3969 V N -2.322 117.596 119.914 0.007 0.000 2.871 3969 V HA -0.130 3.990 4.120 0.000 0.000 0.256 3969 V C 1.926 178.021 176.094 0.001 0.000 1.082 3969 V CA 2.059 64.361 62.300 0.004 0.000 1.105 3969 V CB -0.709 31.116 31.823 0.003 0.000 0.713 3969 V HN 0.543 nan 8.190 nan 0.000 0.473 3970 D N 1.525 121.925 120.400 0.000 0.000 2.123 3970 D HA -0.258 4.382 4.640 0.000 0.000 0.196 3970 D C 1.602 177.901 176.300 -0.001 0.000 0.992 3970 D CA 2.261 56.260 54.000 -0.002 0.000 0.833 3970 D CB -0.068 40.731 40.800 -0.002 0.000 0.954 3970 D HN 0.612 nan 8.370 nan 0.000 0.455 3971 D N -0.034 120.367 120.400 0.002 0.000 2.149 3971 D HA -0.017 4.624 4.640 0.000 0.000 0.201 3971 D C 2.013 178.314 176.300 0.003 0.000 0.972 3971 D CA 1.202 55.204 54.000 0.003 0.000 0.835 3971 D CB -0.239 40.563 40.800 0.005 0.000 0.966 3971 D HN 0.239 nan 8.370 nan 0.000 0.476 3972 A N 0.408 123.230 122.820 0.004 0.000 1.933 3972 A HA -0.144 4.176 4.320 0.000 0.000 0.218 3972 A C 2.335 179.919 177.584 0.001 0.000 1.175 3972 A CA 1.065 53.104 52.037 0.004 0.000 0.628 3972 A CB -0.789 18.214 19.000 0.004 0.000 0.814 3972 A HN 0.149 nan 8.150 nan 0.000 0.444 3973 V N -0.074 119.839 119.914 -0.001 0.000 2.343 3973 V HA -0.183 3.937 4.120 0.000 0.000 0.247 3973 V C 2.806 178.898 176.094 -0.003 0.000 1.051 3973 V CA 1.889 64.187 62.300 -0.004 0.000 1.036 3973 V CB -1.437 30.382 31.823 -0.007 0.000 0.654 3973 V HN 0.618 nan 8.190 nan 0.000 0.451 3974 G N 0.548 109.347 108.800 -0.002 0.000 2.446 3974 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 3974 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 3974 G C 1.694 176.594 174.900 0.000 0.000 1.168 3974 G CA 1.672 46.772 45.100 -0.001 0.000 0.771 3974 G HN 0.604 nan 8.290 nan 0.000 0.551 3975 V N -1.723 118.192 119.914 0.001 0.000 2.788 3975 V HA 0.069 4.189 4.120 0.000 0.000 0.251 3975 V C 2.566 178.662 176.094 0.002 0.000 1.068 3975 V CA 1.170 63.471 62.300 0.003 0.000 1.090 3975 V CB -0.181 31.644 31.823 0.004 0.000 0.710 3975 V HN 0.123 nan 8.190 nan 0.000 0.467 3976 V N 1.846 121.761 119.914 0.001 0.000 2.719 3976 V HA 0.077 4.197 4.120 0.000 0.000 0.252 3976 V C 2.783 178.877 176.094 -0.000 0.000 1.065 3976 V CA 1.857 64.158 62.300 0.001 0.000 1.086 3976 V CB -0.818 31.004 31.823 -0.001 0.000 0.700 3976 V HN 0.616 nan 8.190 nan 0.000 0.467 3977 G N -1.236 107.564 108.800 -0.001 0.000 2.421 3977 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 3977 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 3977 G C 1.682 176.582 174.900 0.000 0.000 1.143 3977 G CA 1.156 46.255 45.100 -0.001 0.000 0.784 3977 G HN 0.527 nan 8.290 nan 0.000 0.541 3978 C N 0.620 119.920 119.300 0.001 0.000 2.429 3978 C HA -0.013 4.447 4.460 0.000 0.000 0.277 3978 C C 3.184 178.175 174.990 0.002 0.000 1.262 3978 C CA 1.514 60.533 59.018 0.002 0.000 1.733 3978 C CB -0.922 26.820 27.740 0.002 0.000 2.010 3978 C HN 0.414 nan 8.230 nan 0.000 0.483 3979 T N 1.031 115.586 114.554 0.003 0.000 2.915 3979 T HA -0.004 4.346 4.350 0.000 0.000 0.269 3979 T C 1.574 176.276 174.700 0.003 0.000 1.071 3979 T CA 1.060 63.162 62.100 0.003 0.000 1.132 3979 T CB -0.191 68.678 68.868 0.003 0.000 0.878 3979 T HN 0.504 nan 8.240 nan 0.000 0.479 3980 I N 0.526 121.097 120.570 0.003 0.000 2.333 3980 I HA -0.039 4.131 4.170 0.000 0.000 0.246 3980 I C 2.548 178.667 176.117 0.003 0.000 1.106 3980 I CA 1.115 62.417 61.300 0.003 0.000 1.411 3980 I CB -0.161 37.840 38.000 0.003 0.000 1.082 3980 I HN 0.244 nan 8.210 nan 0.000 0.420 3981 E N -0.078 120.123 120.200 0.003 0.000 2.072 3981 E HA -0.142 4.208 4.350 0.000 0.000 0.190 3981 E C 0.508 177.110 176.600 0.003 0.000 0.982 3981 E CA 0.720 57.122 56.400 0.003 0.000 0.803 3981 E CB 0.244 29.946 29.700 0.003 0.000 0.755 3981 E HN 0.191 nan 8.360 nan 0.000 0.453 3982 D N -0.583 119.818 120.400 0.003 0.000 2.454 3982 D HA 0.126 4.766 4.640 0.000 0.000 0.247 3982 D C -0.077 176.225 176.300 0.003 0.000 1.129 3982 D CA -0.301 53.701 54.000 0.003 0.000 0.877 3982 D CB 1.347 42.149 40.800 0.003 0.000 1.082 3982 D HN 0.088 nan 8.370 nan 0.000 0.537 3983 G N 3.210 112.012 108.800 0.003 0.000 3.332 3983 G HA2 0.031 3.991 3.960 0.000 0.000 0.242 3983 G HA3 0.031 3.991 3.960 0.000 0.000 0.242 3983 G C 0.476 175.378 174.900 0.004 0.000 1.276 3983 G CA -0.179 44.923 45.100 0.003 0.000 0.988 3983 G HN 0.204 nan 8.290 nan 0.000 0.517 3984 R N -0.342 120.160 120.500 0.004 0.000 2.562 3984 R HA 0.658 4.998 4.340 0.000 0.000 0.298 3984 R C -0.319 175.984 176.300 0.005 0.000 0.961 3984 R CA -0.639 55.464 56.100 0.005 0.000 0.881 3984 R CB 1.659 31.962 30.300 0.004 0.000 1.159 3984 R HN 0.294 nan 8.270 nan 0.000 0.450 3985 I N -0.918 119.656 120.570 0.007 0.000 3.145 3985 I HA 0.859 5.029 4.170 0.000 0.000 0.313 3985 I C -0.668 175.455 176.117 0.010 0.000 1.122 3985 I CA -1.254 60.050 61.300 0.008 0.000 0.987 3985 I CB 2.249 40.254 38.000 0.008 0.000 1.236 3985 I HN 0.336 nan 8.210 nan 0.000 0.453 3986 V N -0.255 119.666 119.914 0.013 0.000 3.049 3986 V HA 0.826 4.946 4.120 0.000 0.000 0.309 3986 V C 0.018 176.124 176.094 0.021 0.000 1.148 3986 V CA -0.380 61.931 62.300 0.017 0.000 0.990 3986 V CB 1.023 32.857 31.823 0.018 0.000 1.039 3986 V HN 1.178 nan 8.190 nan 0.000 0.430 3987 S N 1.952 117.669 115.700 0.028 0.000 2.576 3987 S HA 0.705 5.175 4.470 0.000 0.000 0.276 3987 S C 0.573 175.192 174.600 0.031 0.000 1.339 3987 S CA 0.177 58.397 58.200 0.032 0.000 1.039 3987 S CB 1.014 64.239 63.200 0.041 0.000 0.902 3987 S HN 1.826 nan 8.310 nan 0.000 0.516 3988 G N 0.146 108.965 108.800 0.031 0.000 2.630 3988 G HA2 0.532 4.492 3.960 0.000 0.000 0.223 3988 G HA3 0.532 4.492 3.960 0.000 0.000 0.223 3988 G C 0.925 175.842 174.900 0.028 0.000 1.434 3988 G CA -0.513 44.603 45.100 0.027 0.000 1.057 3988 G HN 2.055 nan 8.290 nan 0.000 0.570 3989 G N -2.050 106.765 108.800 0.025 0.000 2.153 3989 G HA2 0.221 4.181 3.960 0.000 0.000 0.252 3989 G HA3 0.221 4.181 3.960 0.000 0.000 0.252 3989 G C 1.525 176.423 174.900 -0.003 0.000 0.994 3989 G CA 1.156 46.268 45.100 0.020 0.000 0.698 3989 G HN 2.470 nan 8.290 nan 0.000 0.521 3990 G N -1.158 107.632 108.800 -0.017 0.000 2.168 3990 G HA2 -0.142 3.818 3.960 0.000 0.000 0.263 3990 G HA3 -0.142 3.818 3.960 0.000 0.000 0.263 3990 G C 1.500 176.357 174.900 -0.073 0.000 0.977 3990 G CA 1.767 46.840 45.100 -0.045 0.000 0.659 3990 G HN 1.982 nan 8.290 nan 0.000 0.533 3991 S N 0.087 115.763 115.700 -0.040 0.000 2.382 3991 S HA -0.160 4.310 4.470 0.000 0.000 0.228 3991 S C 2.799 177.336 174.600 -0.105 0.000 1.027 3991 S CA 2.657 60.822 58.200 -0.059 0.000 0.991 3991 S CB -0.593 62.679 63.200 0.120 0.000 0.823 3991 S HN 1.378 nan 8.310 nan 0.000 0.469 3992 T N 0.136 114.674 114.554 -0.027 0.000 2.569 3992 T HA -0.125 4.225 4.350 0.000 0.000 0.263 3992 T C 1.569 176.230 174.700 -0.066 0.000 1.074 3992 T CA 1.678 63.770 62.100 -0.014 0.000 1.176 3992 T CB -1.071 67.794 68.868 -0.004 0.000 0.863 3992 T HN 0.375 nan 8.240 nan 0.000 0.410 3993 E N 0.860 121.012 120.200 -0.080 0.000 2.219 3993 E HA -0.052 4.298 4.350 0.000 0.000 0.198 3993 E C 2.215 178.738 176.600 -0.128 0.000 0.998 3993 E CA 0.739 57.084 56.400 -0.092 0.000 0.818 3993 E CB -0.728 28.915 29.700 -0.096 0.000 0.741 3993 E HN 0.457 nan 8.360 nan 0.000 0.477 3994 V N 0.378 120.162 119.914 -0.216 0.000 2.453 3994 V HA -0.218 3.902 4.120 0.000 0.000 0.247 3994 V C 2.259 178.181 176.094 -0.286 0.000 1.048 3994 V CA 1.824 63.938 62.300 -0.309 0.000 1.049 3994 V CB -0.364 31.144 31.823 -0.524 0.000 0.672 3994 V HN 0.223 nan 8.190 nan 0.000 0.457 3995 E N 0.517 120.555 120.200 -0.270 0.000 2.051 3995 E HA -0.204 4.146 4.350 0.000 0.000 0.192 3995 E C 1.881 178.500 176.600 0.032 0.000 0.991 3995 E CA 1.448 57.883 56.400 0.059 0.000 0.799 3995 E CB -0.324 29.496 29.700 0.201 0.000 0.748 3995 E HN 0.368 nan 8.360 nan 0.000 0.449 3996 L N 0.356 121.577 121.223 -0.003 0.000 2.093 3996 L HA -0.051 4.289 4.340 0.000 0.000 0.208 3996 L C 2.409 179.292 176.870 0.022 0.000 1.085 3996 L CA 1.511 56.359 54.840 0.013 0.000 0.755 3996 L CB -0.876 41.189 42.059 0.010 0.000 0.904 3996 L HN 0.062 nan 8.230 nan 0.000 0.435 3997 S N -1.096 114.599 115.700 -0.009 0.000 2.356 3997 S HA -0.169 4.301 4.470 0.000 0.000 0.223 3997 S C 1.983 176.601 174.600 0.029 0.000 1.032 3997 S CA 1.226 59.427 58.200 0.001 0.000 1.005 3997 S CB -0.182 62.995 63.200 -0.037 0.000 0.867 3997 S HN 0.292 nan 8.310 nan 0.000 0.449 3998 M N 0.993 120.609 119.600 0.027 0.000 2.099 3998 M HA 0.008 4.488 4.480 0.000 0.000 0.262 3998 M C 1.996 178.335 176.300 0.064 0.000 1.067 3998 M CA 1.502 56.831 55.300 0.048 0.000 1.124 3998 M CB -1.166 31.472 32.600 0.064 0.000 1.353 3998 M HN 0.054 nan 8.290 nan 0.000 0.410 3999 K N 0.392 120.831 120.400 0.064 0.000 2.155 3999 K HA 0.073 4.393 4.320 0.000 0.000 0.203 3999 K C 1.960 178.621 176.600 0.101 0.000 1.052 3999 K CA 0.750 57.079 56.287 0.071 0.000 0.948 3999 K CB -0.429 32.100 32.500 0.048 0.000 0.728 3999 K HN 0.268 nan 8.250 nan 0.000 0.448 4000 L N -0.138 121.144 121.223 0.098 0.000 2.240 4000 L HA -0.057 4.283 4.340 0.000 0.000 0.211 4000 L C 2.114 179.095 176.870 0.185 0.000 1.106 4000 L CA 0.851 55.783 54.840 0.153 0.000 0.793 4000 L CB -0.171 41.978 42.059 0.150 0.000 0.927 4000 L HN 0.113 nan 8.230 nan 0.000 0.446 4001 R N 0.140 120.715 120.500 0.125 0.000 2.092 4001 R HA -0.148 4.192 4.340 0.000 0.000 0.231 4001 R C 2.046 178.402 176.300 0.093 0.000 1.119 4001 R CA 1.238 57.398 56.100 0.099 0.000 0.970 4001 R CB -0.171 30.170 30.300 0.068 0.000 0.864 4001 R HN 0.449 nan 8.270 nan 0.000 0.440 4002 E N -0.368 119.893 120.200 0.102 0.000 2.107 4002 E HA -0.200 4.150 4.350 0.000 0.000 0.191 4002 E C 1.581 178.249 176.600 0.113 0.000 0.982 4002 E CA 0.861 57.315 56.400 0.091 0.000 0.809 4002 E CB -0.100 29.651 29.700 0.086 0.000 0.756 4002 E HN 0.299 nan 8.360 nan 0.000 0.459 4003 Y N 1.382 121.694 120.300 0.021 0.000 2.181 4003 Y HA -0.207 4.343 4.550 0.000 0.000 0.288 4003 Y C 2.210 178.119 175.900 0.014 0.000 1.146 4003 Y CA 1.303 59.411 58.100 0.014 0.000 1.164 4003 Y CB -0.395 38.071 38.460 0.010 0.000 0.982 4003 Y HN -0.010 nan 8.280 nan 0.000 0.515 4004 A N -0.138 122.704 122.820 0.037 0.000 1.902 4004 A HA -0.226 4.095 4.320 0.000 0.000 0.217 4004 A C 2.103 179.647 177.584 -0.067 0.000 1.181 4004 A CA 1.887 53.908 52.037 -0.026 0.000 0.623 4004 A CB -0.791 18.245 19.000 0.061 0.000 0.818 4004 A HN 0.502 nan 8.150 nan 0.000 0.443 4005 E N -0.051 120.129 120.200 -0.033 0.000 2.110 4005 E HA -0.076 4.274 4.350 0.000 0.000 0.193 4005 E C 1.932 178.491 176.600 -0.068 0.000 0.988 4005 E CA 1.497 57.877 56.400 -0.032 0.000 0.804 4005 E CB -0.655 29.041 29.700 -0.005 0.000 0.745 4005 E HN 0.444 nan 8.360 nan 0.000 0.458 4006 G N 0.320 109.052 108.800 -0.113 0.000 2.421 4006 G HA2 -0.133 3.827 3.960 0.000 0.000 0.217 4006 G HA3 -0.133 3.827 3.960 0.000 0.000 0.217 4006 G C 1.432 176.220 174.900 -0.187 0.000 1.143 4006 G CA 0.614 45.630 45.100 -0.140 0.000 0.784 4006 G HN 0.201 nan 8.290 nan 0.000 0.541 4007 I N 0.368 120.779 120.570 -0.265 0.000 2.193 4007 I HA 0.005 4.175 4.170 0.000 0.000 0.240 4007 I C 1.704 177.748 176.117 -0.121 0.000 1.084 4007 I CA 1.085 62.244 61.300 -0.234 0.000 1.365 4007 I CB -1.091 36.744 38.000 -0.275 0.000 1.064 4007 I HN 0.298 nan 8.210 nan 0.000 0.410 4008 S N -1.237 114.409 115.700 -0.090 0.000 3.443 4008 S HA -0.116 4.354 4.470 0.000 0.000 0.635 4008 S C 0.765 175.343 174.600 -0.037 0.000 2.555 4008 S CA 1.444 59.613 58.200 -0.051 0.000 2.778 4008 S CB -1.357 61.816 63.200 -0.046 0.000 0.331 4008 S HN 1.428 nan 8.310 nan 0.000 1.765 4009 G N 1.143 109.928 108.800 -0.025 0.000 2.566 4009 G HA2 -0.337 3.623 3.960 0.000 0.000 0.280 4009 G HA3 -0.337 3.623 3.960 0.000 0.000 0.280 4009 G C 0.349 175.245 174.900 -0.007 0.000 1.225 4009 G CA 1.672 46.762 45.100 -0.017 0.000 0.966 4009 G HN 1.869 nan 8.290 nan 0.000 0.560 4010 R N 0.422 120.921 120.500 -0.003 0.000 2.223 4010 R HA 0.321 4.662 4.340 0.000 0.000 0.198 4010 R C 2.043 178.351 176.300 0.013 0.000 0.984 4010 R CA 1.361 57.465 56.100 0.008 0.000 1.018 4010 R CB -0.209 30.099 30.300 0.012 0.000 0.945 4010 R HN 0.640 nan 8.270 nan 0.000 0.479 4011 E N 2.086 122.288 120.200 0.003 0.000 2.204 4011 E HA -0.258 4.093 4.350 0.000 0.000 0.195 4011 E C 1.984 178.597 176.600 0.022 0.000 0.990 4011 E CA 1.616 58.021 56.400 0.008 0.000 0.821 4011 E CB -0.055 29.639 29.700 -0.010 0.000 0.750 4011 E HN 0.654 nan 8.360 nan 0.000 0.477 4012 Q N 0.841 120.645 119.800 0.007 0.000 2.124 4012 Q HA -0.188 4.152 4.340 0.000 0.000 0.202 4012 Q C 2.246 178.280 176.000 0.056 0.000 0.977 4012 Q CA 1.090 56.901 55.803 0.013 0.000 0.850 4012 Q CB -0.318 28.416 28.738 -0.006 0.000 0.901 4012 Q HN 0.223 nan 8.270 nan 0.000 0.429 4013 L N 1.211 122.467 121.223 0.056 0.000 2.083 4013 L HA -0.051 4.289 4.340 0.000 0.000 0.209 4013 L C 2.428 179.376 176.870 0.129 0.000 1.083 4013 L CA 2.027 56.913 54.840 0.076 0.000 0.752 4013 L CB -0.859 41.234 42.059 0.056 0.000 0.899 4013 L HN 0.338 nan 8.230 nan 0.000 0.433 4014 A N -1.346 121.558 122.820 0.141 0.000 1.902 4014 A HA -0.134 4.186 4.320 0.000 0.000 0.217 4014 A C 2.228 180.039 177.584 0.378 0.000 1.181 4014 A CA 1.928 54.119 52.037 0.256 0.000 0.623 4014 A CB -0.975 18.110 19.000 0.141 0.000 0.818 4014 A HN 0.290 nan 8.150 nan 0.000 0.443 4015 V N -0.124 119.934 119.914 0.238 0.000 2.453 4015 V HA -0.213 3.907 4.120 0.000 0.000 0.247 4015 V C 2.582 178.811 176.094 0.224 0.000 1.048 4015 V CA 1.999 64.435 62.300 0.227 0.000 1.049 4015 V CB -0.813 31.118 31.823 0.180 0.000 0.672 4015 V HN 0.508 nan 8.190 nan 0.000 0.457 4016 R N 0.385 120.985 120.500 0.168 0.000 2.081 4016 R HA -0.087 4.253 4.340 0.000 0.000 0.235 4016 R C 2.444 178.821 176.300 0.128 0.000 1.131 4016 R CA 1.492 57.669 56.100 0.128 0.000 0.960 4016 R CB -0.566 29.788 30.300 0.089 0.000 0.856 4016 R HN 0.520 nan 8.270 nan 0.000 0.436 4017 A N 0.564 123.481 122.820 0.163 0.000 1.930 4017 A HA -0.161 4.159 4.320 0.000 0.000 0.217 4017 A C 1.941 179.578 177.584 0.088 0.000 1.175 4017 A CA 0.888 53.011 52.037 0.144 0.000 0.627 4017 A CB -0.557 18.573 19.000 0.216 0.000 0.815 4017 A HN 0.341 nan 8.150 nan 0.000 0.443 4018 F N 0.916 120.836 119.950 -0.051 0.000 2.102 4018 F HA -0.087 4.440 4.527 0.000 0.000 0.298 4018 F C 2.537 178.253 175.800 -0.141 0.000 1.105 4018 F CA 1.334 59.176 58.000 -0.264 0.000 1.239 4018 F CB -0.264 38.550 39.000 -0.311 0.000 0.991 4018 F HN 0.255 nan 8.300 nan 0.000 0.474 4019 A N -0.159 122.754 122.820 0.155 0.000 1.877 4019 A HA -0.198 4.122 4.320 0.000 0.000 0.216 4019 A C 1.933 179.498 177.584 -0.031 0.000 1.186 4019 A CA 2.028 54.112 52.037 0.077 0.000 0.620 4019 A CB -0.981 18.088 19.000 0.116 0.000 0.822 4019 A HN 0.419 nan 8.150 nan 0.000 0.443 4020 D N -0.112 120.275 120.400 -0.021 0.000 2.178 4020 D HA 0.025 4.665 4.640 0.000 0.000 0.202 4020 D C 2.155 178.402 176.300 -0.089 0.000 0.974 4020 D CA 1.262 55.239 54.000 -0.039 0.000 0.841 4020 D CB -0.328 40.467 40.800 -0.008 0.000 0.953 4020 D HN 0.418 nan 8.370 nan 0.000 0.478 4021 A N 0.427 123.158 122.820 -0.148 0.000 1.972 4021 A HA -0.126 4.194 4.320 0.000 0.000 0.219 4021 A C 1.994 179.440 177.584 -0.230 0.000 1.169 4021 A CA 0.772 52.687 52.037 -0.204 0.000 0.635 4021 A CB -0.499 18.316 19.000 -0.308 0.000 0.810 4021 A HN 0.151 nan 8.150 nan 0.000 0.446 4022 L N 0.364 121.428 121.223 -0.265 0.000 2.353 4022 L HA -0.110 4.230 4.340 0.000 0.000 0.220 4022 L C 2.001 178.786 176.870 -0.143 0.000 1.133 4022 L CA 1.338 56.045 54.840 -0.222 0.000 0.798 4022 L CB -0.583 41.354 42.059 -0.204 0.000 0.922 4022 L HN 0.393 nan 8.230 nan 0.000 0.445 4023 E N -1.013 119.117 120.200 -0.117 0.000 2.409 4023 E HA -0.136 4.214 4.350 0.000 0.000 0.198 4023 E C 2.337 178.889 176.600 -0.081 0.000 1.024 4023 E CA 0.664 57.011 56.400 -0.088 0.000 0.861 4023 E CB -0.402 29.257 29.700 -0.068 0.000 0.788 4023 E HN 0.352 nan 8.360 nan 0.000 0.521 4024 V N 1.284 121.143 119.914 -0.092 0.000 2.568 4024 V HA -0.231 3.889 4.120 0.000 0.000 0.253 4024 V C 1.890 177.941 176.094 -0.070 0.000 1.072 4024 V CA 1.024 63.277 62.300 -0.077 0.000 1.084 4024 V CB -0.273 31.499 31.823 -0.085 0.000 0.676 4024 V HN 0.127 nan 8.190 nan 0.000 0.469 4025 I N 1.363 121.887 120.570 -0.077 0.000 2.133 4025 I HA -0.051 4.119 4.170 0.000 0.000 0.238 4025 I C 0.228 176.310 176.117 -0.058 0.000 1.074 4025 I CA 1.789 63.049 61.300 -0.067 0.000 1.342 4025 I CB -2.911 35.048 38.000 -0.070 0.000 1.053 4025 I HN 0.348 nan 8.210 nan 0.000 0.404 4026 P HA -0.145 nan 4.420 nan 0.000 0.221 4026 P C 1.750 179.022 177.300 -0.047 0.000 1.150 4026 P CA 1.389 64.459 63.100 -0.051 0.000 0.800 4026 P CB -0.130 31.538 31.700 -0.053 0.000 0.787 4027 R N -0.054 120.417 120.500 -0.049 0.000 2.066 4027 R HA -0.050 4.290 4.340 0.000 0.000 0.232 4027 R C 1.979 178.253 176.300 -0.043 0.000 1.131 4027 R CA 1.916 57.990 56.100 -0.043 0.000 0.955 4027 R CB -0.691 29.583 30.300 -0.043 0.000 0.851 4027 R HN 0.052 nan 8.270 nan 0.000 0.432 4028 T N 1.330 115.856 114.554 -0.047 0.000 2.942 4028 T HA 0.016 4.366 4.350 0.000 0.000 0.265 4028 T C 1.774 176.444 174.700 -0.050 0.000 1.062 4028 T CA 0.760 62.833 62.100 -0.046 0.000 1.139 4028 T CB -0.015 68.825 68.868 -0.046 0.000 0.883 4028 T HN 0.142 nan 8.240 nan 0.000 0.468 4029 L N 0.919 122.110 121.223 -0.054 0.000 2.042 4029 L HA -0.136 4.204 4.340 0.000 0.000 0.210 4029 L C 3.003 179.832 176.870 -0.067 0.000 1.076 4029 L CA 1.385 56.187 54.840 -0.063 0.000 0.749 4029 L CB -0.614 41.409 42.059 -0.060 0.000 0.893 4029 L HN 0.250 nan 8.230 nan 0.000 0.432 4030 A N -0.510 122.277 122.820 -0.055 0.000 1.929 4030 A HA -0.184 4.136 4.320 0.000 0.000 0.216 4030 A C 2.169 179.724 177.584 -0.049 0.000 1.176 4030 A CA 1.333 53.339 52.037 -0.051 0.000 0.628 4030 A CB -0.358 18.618 19.000 -0.040 0.000 0.816 4030 A HN 0.415 nan 8.150 nan 0.000 0.444 4031 E N 0.037 120.210 120.200 -0.044 0.000 2.058 4031 E HA -0.194 4.157 4.350 0.000 0.000 0.194 4031 E C 1.644 178.218 176.600 -0.044 0.000 0.997 4031 E CA 1.297 57.674 56.400 -0.040 0.000 0.801 4031 E CB -0.173 29.506 29.700 -0.036 0.000 0.746 4031 E HN 0.530 nan 8.360 nan 0.000 0.450 4032 N N 0.287 118.956 118.700 -0.052 0.000 2.244 4032 N HA -0.085 4.655 4.740 0.000 0.000 0.183 4032 N C 1.451 176.918 175.510 -0.071 0.000 1.016 4032 N CA 1.059 54.075 53.050 -0.058 0.000 0.866 4032 N CB -0.134 38.316 38.487 -0.062 0.000 0.980 4032 N HN 0.109 nan 8.380 nan 0.000 0.430 4033 A N -0.022 122.749 122.820 -0.082 0.000 2.067 4033 A HA 0.320 4.640 4.320 0.000 0.000 0.217 4033 A C 1.464 179.008 177.584 -0.066 0.000 1.156 4033 A CA 1.060 53.040 52.037 -0.096 0.000 0.683 4033 A CB -0.413 18.519 19.000 -0.114 0.000 0.808 4033 A HN 0.310 nan 8.150 nan 0.000 0.455 4034 G N -1.148 107.621 108.800 -0.051 0.000 2.171 4034 G HA2 -0.182 3.778 3.960 0.000 0.000 0.238 4034 G HA3 -0.182 3.778 3.960 0.000 0.000 0.238 4034 G C -0.060 174.821 174.900 -0.031 0.000 1.039 4034 G CA 0.318 45.396 45.100 -0.037 0.000 0.759 4034 G HN 0.447 nan 8.290 nan 0.000 0.501 4035 L N -0.092 121.110 121.223 -0.034 0.000 2.375 4035 L HA 0.484 4.824 4.340 0.000 0.000 0.268 4035 L C 0.477 177.334 176.870 -0.023 0.000 1.058 4035 L CA -1.075 53.749 54.840 -0.027 0.000 0.803 4035 L CB 0.931 42.972 42.059 -0.031 0.000 1.212 4035 L HN 0.112 nan 8.230 nan 0.000 0.451 4036 D N 1.054 121.444 120.400 -0.017 0.000 2.342 4036 D HA 0.118 4.758 4.640 0.000 0.000 0.260 4036 D C 0.739 177.030 176.300 -0.016 0.000 1.278 4036 D CA 0.118 54.109 54.000 -0.014 0.000 0.910 4036 D CB 1.732 42.526 40.800 -0.010 0.000 1.079 4036 D HN 0.632 nan 8.370 nan 0.000 0.496 4037 A N 5.460 128.269 122.820 -0.018 0.000 1.908 4037 A HA -0.196 4.124 4.320 0.000 0.000 0.218 4037 A C 2.158 179.732 177.584 -0.016 0.000 1.181 4037 A CA 0.864 52.889 52.037 -0.020 0.000 0.627 4037 A CB -0.269 18.717 19.000 -0.022 0.000 0.818 4037 A HN 0.704 nan 8.150 nan 0.000 0.445 4038 I N -0.164 120.398 120.570 -0.013 0.000 2.179 4038 I HA -0.212 3.958 4.170 0.000 0.000 0.242 4038 I C 2.452 178.564 176.117 -0.007 0.000 1.088 4038 I CA 1.867 63.161 61.300 -0.010 0.000 1.357 4038 I CB -1.462 36.533 38.000 -0.007 0.000 1.051 4038 I HN 0.601 nan 8.210 nan 0.000 0.409 4039 E N 1.485 121.681 120.200 -0.006 0.000 2.051 4039 E HA -0.229 4.121 4.350 0.000 0.000 0.192 4039 E C 2.342 178.941 176.600 -0.002 0.000 0.991 4039 E CA 1.801 58.199 56.400 -0.003 0.000 0.799 4039 E CB -0.110 29.588 29.700 -0.003 0.000 0.748 4039 E HN 0.610 nan 8.360 nan 0.000 0.449 4040 I N -1.415 119.152 120.570 -0.005 0.000 2.439 4040 I HA -0.163 4.007 4.170 0.000 0.000 0.251 4040 I C 2.226 178.339 176.117 -0.006 0.000 1.139 4040 I CA 0.874 62.171 61.300 -0.005 0.000 1.438 4040 I CB -0.340 37.654 38.000 -0.010 0.000 1.085 4040 I HN 0.073 nan 8.210 nan 0.000 0.427 4041 L N 0.779 121.996 121.223 -0.010 0.000 2.093 4041 L HA -0.110 4.230 4.340 0.000 0.000 0.208 4041 L C 2.681 179.548 176.870 -0.005 0.000 1.085 4041 L CA 0.809 55.641 54.840 -0.013 0.000 0.755 4041 L CB -0.404 41.645 42.059 -0.017 0.000 0.904 4041 L HN 0.168 nan 8.230 nan 0.000 0.435 4042 V N -0.267 119.647 119.914 -0.001 0.000 2.323 4042 V HA -0.231 3.889 4.120 0.000 0.000 0.244 4042 V C 2.377 178.478 176.094 0.012 0.000 1.041 4042 V CA 1.650 63.953 62.300 0.005 0.000 1.025 4042 V CB -0.381 31.445 31.823 0.005 0.000 0.656 4042 V HN 0.384 nan 8.190 nan 0.000 0.451 4043 K N -0.369 120.038 120.400 0.011 0.000 2.103 4043 K HA -0.047 4.273 4.320 0.000 0.000 0.204 4043 K C 2.046 178.662 176.600 0.027 0.000 1.052 4043 K CA 1.004 57.301 56.287 0.017 0.000 0.945 4043 K CB -0.186 32.322 32.500 0.013 0.000 0.722 4043 K HN 0.292 nan 8.250 nan 0.000 0.443 4044 V N 1.185 121.113 119.914 0.023 0.000 2.323 4044 V HA -0.175 3.945 4.120 0.000 0.000 0.244 4044 V C 2.356 178.484 176.094 0.057 0.000 1.041 4044 V CA 1.460 63.781 62.300 0.035 0.000 1.025 4044 V CB -0.394 31.436 31.823 0.012 0.000 0.656 4044 V HN 0.270 nan 8.190 nan 0.000 0.451 4045 R N 0.093 120.611 120.500 0.030 0.000 2.081 4045 R HA -0.164 4.176 4.340 0.000 0.000 0.235 4045 R C 2.292 178.640 176.300 0.080 0.000 1.131 4045 R CA 1.720 57.842 56.100 0.037 0.000 0.960 4045 R CB -0.411 29.894 30.300 0.009 0.000 0.856 4045 R HN 0.500 nan 8.270 nan 0.000 0.436 4046 A N 0.495 123.348 122.820 0.055 0.000 1.873 4046 A HA -0.050 4.270 4.320 0.000 0.000 0.215 4046 A C 2.316 179.933 177.584 0.054 0.000 1.186 4046 A CA 1.538 53.605 52.037 0.049 0.000 0.616 4046 A CB -0.755 18.264 19.000 0.031 0.000 0.823 4046 A HN 0.506 nan 8.150 nan 0.000 0.442 4047 A N -0.984 121.870 122.820 0.056 0.000 1.933 4047 A HA -0.149 4.171 4.320 0.000 0.000 0.218 4047 A C 1.984 179.600 177.584 0.053 0.000 1.175 4047 A CA 2.073 54.137 52.037 0.046 0.000 0.628 4047 A CB -0.848 18.177 19.000 0.042 0.000 0.814 4047 A HN 0.806 nan 8.150 nan 0.000 0.444 4048 H N -0.113 118.960 119.070 0.005 0.000 2.293 4048 H HA 0.049 4.605 4.556 0.000 0.000 0.300 4048 H C 2.180 177.511 175.328 0.005 0.000 1.082 4048 H CA 2.063 58.114 56.048 0.005 0.000 1.308 4048 H CB -0.246 29.518 29.762 0.004 0.000 1.375 4048 H HN 0.367 nan 8.280 nan 0.000 0.495 4049 A N -0.541 122.335 122.820 0.094 0.000 1.940 4049 A HA -0.187 4.133 4.320 0.000 0.000 0.219 4049 A C 2.582 180.147 177.584 -0.032 0.000 1.176 4049 A CA 2.009 54.073 52.037 0.045 0.000 0.631 4049 A CB -1.065 17.987 19.000 0.088 0.000 0.814 4049 A HN 0.529 nan 8.150 nan 0.000 0.446 4050 S N -0.492 115.194 115.700 -0.024 0.000 2.341 4050 S HA -0.087 4.383 4.470 0.000 0.000 0.216 4050 S C 1.859 176.428 174.600 -0.051 0.000 1.034 4050 S CA 1.062 59.246 58.200 -0.027 0.000 0.964 4050 S CB -0.405 62.790 63.200 -0.008 0.000 0.882 4050 S HN 0.598 nan 8.310 nan 0.000 0.469 4051 N N 1.160 119.825 118.700 -0.058 0.000 2.396 4051 N HA 0.215 4.955 4.740 0.000 0.000 0.180 4051 N C 1.074 176.522 175.510 -0.103 0.000 1.028 4051 N CA 1.000 54.013 53.050 -0.062 0.000 0.893 4051 N CB -0.072 38.392 38.487 -0.038 0.000 0.967 4051 N HN 0.623 nan 8.380 nan 0.000 0.440 4052 G N 0.362 109.042 108.800 -0.200 0.000 2.396 4052 G HA2 -0.226 3.734 3.960 0.000 0.000 0.254 4052 G HA3 -0.226 3.734 3.960 0.000 0.000 0.254 4052 G C 0.013 174.670 174.900 -0.406 0.000 1.248 4052 G CA 0.041 44.981 45.100 -0.268 0.000 1.033 4052 G HN 0.252 nan 8.290 nan 0.000 0.502 4053 N N -0.479 118.080 118.700 -0.234 0.000 2.414 4053 N HA 0.028 4.768 4.740 0.000 0.000 0.177 4053 N C 1.503 177.018 175.510 0.008 0.000 1.062 4053 N CA 0.753 53.767 53.050 -0.060 0.000 0.890 4053 N CB 0.037 38.555 38.487 0.052 0.000 1.070 4053 N HN 0.296 nan 8.380 nan 0.000 0.454 4054 K N 0.004 120.392 120.400 -0.019 0.000 2.404 4054 K HA 0.156 4.476 4.320 0.000 0.000 0.194 4054 K C -0.249 176.348 176.600 -0.005 0.000 1.023 4054 K CA 0.064 56.349 56.287 -0.003 0.000 1.094 4054 K CB 0.034 32.530 32.500 -0.007 0.000 0.841 4054 K HN 0.093 nan 8.250 nan 0.000 0.523 4055 C N 0.159 119.450 119.300 -0.015 0.000 3.517 4055 C HA 0.820 5.280 4.460 0.000 0.000 0.202 4055 C C -0.263 174.727 174.990 0.000 0.000 1.370 4055 C CA -0.168 58.845 59.018 -0.009 0.000 1.308 4055 C CB -1.398 26.327 27.740 -0.024 0.000 1.840 4055 C HN 0.450 nan 8.230 nan 0.000 0.525 4056 A N 1.291 124.134 122.820 0.037 0.000 5.650 4056 A HA 0.955 5.275 4.320 0.000 0.000 0.194 4056 A C 0.426 178.058 177.584 0.080 0.000 0.895 4056 A CA 0.472 52.554 52.037 0.075 0.000 0.804 4056 A CB -0.379 18.711 19.000 0.151 0.000 2.103 4056 A HN 2.341 nan 8.150 nan 0.000 1.022 4057 G N -1.865 106.997 108.800 0.104 0.000 2.846 4057 G HA2 0.342 4.302 3.960 0.000 0.000 0.660 4057 G HA3 0.342 4.302 3.960 0.000 0.000 0.660 4057 G C -0.625 174.303 174.900 0.045 0.000 1.464 4057 G CA 0.043 45.181 45.100 0.064 0.000 0.891 4057 G HN 2.104 nan 8.290 nan 0.000 0.552 4058 L N 0.920 122.160 121.223 0.029 0.000 2.289 4058 L HA 0.620 4.960 4.340 0.000 0.000 0.285 4058 L C 0.522 177.414 176.870 0.037 0.000 1.049 4058 L CA -0.771 54.083 54.840 0.023 0.000 0.804 4058 L CB 1.402 43.462 42.059 0.001 0.000 1.195 4058 L HN 0.731 nan 8.230 nan 0.000 0.428 4059 N N 4.065 122.796 118.700 0.051 0.000 2.485 4059 N HA 0.125 4.865 4.740 0.000 0.000 0.243 4059 N C 0.907 176.452 175.510 0.058 0.000 0.987 4059 N CA -0.154 52.952 53.050 0.094 0.000 0.940 4059 N CB 1.403 39.960 38.487 0.117 0.000 1.122 4059 N HN 0.713 nan 8.380 nan 0.000 0.509 4060 V N 2.083 121.991 119.914 -0.010 0.000 2.970 4060 V HA -0.041 4.079 4.120 0.000 0.000 0.260 4060 V C 1.411 177.401 176.094 -0.173 0.000 1.100 4060 V CA 1.013 63.232 62.300 -0.135 0.000 1.122 4060 V CB -1.079 30.591 31.823 -0.254 0.000 0.721 4060 V HN 0.475 nan 8.190 nan 0.000 0.483 4061 F N 2.473 122.422 119.950 -0.002 0.000 2.259 4061 F HA -0.021 4.506 4.527 0.000 0.000 0.298 4061 F C 2.660 178.459 175.800 -0.001 0.000 1.088 4061 F CA 1.780 59.779 58.000 -0.002 0.000 1.358 4061 F CB -0.335 38.664 39.000 -0.001 0.000 1.040 4061 F HN 0.377 nan 8.300 nan 0.000 0.505 4062 T N -4.102 110.554 114.554 0.170 0.000 3.001 4062 T HA 0.375 4.725 4.350 0.000 0.000 0.251 4062 T C 1.483 176.211 174.700 0.048 0.000 1.040 4062 T CA 0.415 62.570 62.100 0.092 0.000 0.985 4062 T CB 0.325 69.239 68.868 0.076 0.000 1.011 4062 T HN 0.343 nan 8.240 nan 0.000 0.509 4063 G N 1.099 109.919 108.800 0.033 0.000 2.248 4063 G HA2 0.273 4.234 3.960 0.000 0.000 0.263 4063 G HA3 0.273 4.234 3.960 0.000 0.000 0.263 4063 G C 0.060 174.966 174.900 0.010 0.000 1.082 4063 G CA -0.226 44.877 45.100 0.005 0.000 0.863 4063 G HN 1.424 nan 8.290 nan 0.000 0.495 4064 A N -1.661 121.171 122.820 0.020 0.000 2.608 4064 A HA 0.880 5.201 4.320 0.000 0.000 0.292 4064 A C 0.034 177.634 177.584 0.026 0.000 1.066 4064 A CA 0.129 52.178 52.037 0.019 0.000 0.676 4064 A CB 1.389 20.401 19.000 0.021 0.000 1.277 4064 A HN 1.802 nan 8.150 nan 0.000 0.413 4065 V N 1.669 121.597 119.914 0.023 0.000 2.673 4065 V HA 0.407 4.527 4.120 0.000 0.000 0.303 4065 V C 0.020 176.133 176.094 0.032 0.000 1.046 4065 V CA 1.024 63.342 62.300 0.029 0.000 1.126 4065 V CB 0.444 32.285 31.823 0.029 0.000 0.934 4065 V HN 0.914 nan 8.190 nan 0.000 0.487 4066 E N 3.825 124.048 120.200 0.038 0.000 2.359 4066 E HA 0.372 4.722 4.350 0.000 0.000 0.223 4066 E C -1.476 175.145 176.600 0.035 0.000 0.877 4066 E CA -0.654 55.767 56.400 0.035 0.000 0.887 4066 E CB 0.828 30.553 29.700 0.041 0.000 1.890 4066 E HN 0.707 nan 8.360 nan 0.000 0.419 4067 D N 1.235 121.653 120.400 0.029 0.000 2.472 4067 D HA 0.193 4.833 4.640 0.000 0.000 0.234 4067 D C 0.832 177.149 176.300 0.028 0.000 1.088 4067 D CA -0.274 53.742 54.000 0.025 0.000 0.882 4067 D CB 0.580 41.389 40.800 0.015 0.000 1.037 4067 D HN 0.186 nan 8.370 nan 0.000 0.520 4068 M N 1.749 121.371 119.600 0.037 0.000 2.117 4068 M HA -0.142 4.338 4.480 0.000 0.000 0.262 4068 M C 2.310 178.626 176.300 0.027 0.000 1.065 4068 M CA 0.818 56.142 55.300 0.039 0.000 1.114 4068 M CB -1.158 31.470 32.600 0.047 0.000 1.361 4068 M HN 0.549 nan 8.290 nan 0.000 0.408 4069 C N 0.603 119.917 119.300 0.023 0.000 2.432 4069 C HA -0.185 4.275 4.460 0.000 0.000 0.277 4069 C C 2.732 177.726 174.990 0.008 0.000 1.249 4069 C CA 1.621 60.648 59.018 0.015 0.000 1.725 4069 C CB -0.871 26.877 27.740 0.013 0.000 2.028 4069 C HN 0.600 nan 8.230 nan 0.000 0.477 4070 E N 1.120 121.324 120.200 0.007 0.000 2.110 4070 E HA -0.139 4.211 4.350 0.000 0.000 0.193 4070 E C 1.609 178.207 176.600 -0.002 0.000 0.988 4070 E CA 1.567 57.968 56.400 0.001 0.000 0.804 4070 E CB -0.420 29.281 29.700 0.002 0.000 0.745 4070 E HN 0.624 nan 8.360 nan 0.000 0.458 4071 N N -0.335 118.365 118.700 0.000 0.000 2.461 4071 N HA 0.055 4.795 4.740 0.000 0.000 0.188 4071 N C 0.623 176.124 175.510 -0.015 0.000 1.134 4071 N CA 0.944 53.989 53.050 -0.009 0.000 0.878 4071 N CB 0.553 39.039 38.487 -0.002 0.000 0.972 4071 N HN 0.319 nan 8.380 nan 0.000 0.456 4072 G N -0.083 108.713 108.800 -0.006 0.000 2.153 4072 G HA2 -0.265 3.695 3.960 0.000 0.000 0.252 4072 G HA3 -0.265 3.695 3.960 0.000 0.000 0.252 4072 G C -0.050 174.851 174.900 0.001 0.000 0.994 4072 G CA 0.183 45.279 45.100 -0.006 0.000 0.698 4072 G HN 0.207 nan 8.290 nan 0.000 0.521 4073 V N 1.464 121.386 119.914 0.013 0.000 2.222 4073 V HA 0.487 4.607 4.120 0.000 0.000 0.253 4073 V C 0.787 176.898 176.094 0.028 0.000 1.210 4073 V CA 0.121 62.438 62.300 0.030 0.000 1.079 4073 V CB 0.461 32.315 31.823 0.052 0.000 1.265 4073 V HN 1.046 nan 8.190 nan 0.000 0.494 4074 V N 1.563 121.490 119.914 0.021 0.000 2.876 4074 V HA 0.900 5.020 4.120 0.000 0.000 0.312 4074 V C -0.631 175.473 176.094 0.017 0.000 1.085 4074 V CA -0.712 61.600 62.300 0.019 0.000 0.945 4074 V CB 2.490 34.321 31.823 0.014 0.000 1.017 4074 V HN 0.657 nan 8.190 nan 0.000 0.428 4075 E N 2.366 122.575 120.200 0.015 0.000 2.336 4075 E HA 0.654 5.004 4.350 0.000 0.000 0.267 4075 E C -3.233 173.372 176.600 0.010 0.000 0.906 4075 E CA -2.432 53.975 56.400 0.012 0.000 0.781 4075 E CB 2.090 31.797 29.700 0.012 0.000 1.261 4075 E HN 0.464 nan 8.360 nan 0.000 0.436 4076 P HA -0.027 nan 4.420 nan 0.000 0.266 4076 P C 0.892 178.196 177.300 0.006 0.000 1.195 4076 P CA -0.303 62.801 63.100 0.006 0.000 0.768 4076 P CB 0.444 32.147 31.700 0.005 0.000 0.838 4077 L N 4.029 125.255 121.223 0.006 0.000 2.079 4077 L HA -0.205 4.135 4.340 0.000 0.000 0.210 4077 L C 2.088 178.961 176.870 0.004 0.000 1.081 4077 L CA 1.947 56.790 54.840 0.006 0.000 0.752 4077 L CB -0.617 41.445 42.059 0.005 0.000 0.896 4077 L HN 0.242 nan 8.230 nan 0.000 0.433 4078 R N -0.531 119.971 120.500 0.004 0.000 2.117 4078 R HA -0.130 4.210 4.340 0.000 0.000 0.243 4078 R C 2.231 178.533 176.300 0.003 0.000 1.143 4078 R CA 1.560 57.662 56.100 0.004 0.000 0.968 4078 R CB -1.367 28.935 30.300 0.003 0.000 0.863 4078 R HN 0.389 nan 8.270 nan 0.000 0.444 4079 V N 1.653 121.569 119.914 0.003 0.000 2.287 4079 V HA -0.239 3.881 4.120 0.000 0.000 0.248 4079 V C 2.393 178.487 176.094 -0.001 0.000 1.053 4079 V CA 1.754 64.055 62.300 0.001 0.000 1.027 4079 V CB -0.300 31.524 31.823 0.002 0.000 0.646 4079 V HN 0.212 nan 8.190 nan 0.000 0.447 4080 K N -0.716 119.684 120.400 -0.000 0.000 2.137 4080 K HA -0.038 4.282 4.320 0.000 0.000 0.202 4080 K C 2.291 178.892 176.600 0.001 0.000 1.052 4080 K CA 1.500 57.786 56.287 -0.002 0.000 0.961 4080 K CB -0.665 31.834 32.500 -0.002 0.000 0.741 4080 K HN 0.458 nan 8.250 nan 0.000 0.452 4081 T N 0.715 115.272 114.554 0.004 0.000 2.942 4081 T HA -0.119 4.231 4.350 0.000 0.000 0.265 4081 T C 1.824 176.529 174.700 0.009 0.000 1.062 4081 T CA 1.207 63.312 62.100 0.007 0.000 1.139 4081 T CB 0.174 69.045 68.868 0.006 0.000 0.883 4081 T HN 0.071 nan 8.240 nan 0.000 0.468 4082 Q N 0.638 120.442 119.800 0.007 0.000 2.137 4082 Q HA 0.317 4.657 4.340 0.000 0.000 0.198 4082 Q C 2.210 178.214 176.000 0.008 0.000 0.960 4082 Q CA 1.534 57.341 55.803 0.008 0.000 0.847 4082 Q CB -0.687 28.054 28.738 0.005 0.000 0.915 4082 Q HN 0.514 nan 8.270 nan 0.000 0.448 4083 A N 0.747 123.568 122.820 0.003 0.000 1.865 4083 A HA -0.160 4.160 4.320 0.000 0.000 0.217 4083 A C 1.932 179.518 177.584 0.004 0.000 1.191 4083 A CA 1.626 53.662 52.037 -0.002 0.000 0.623 4083 A CB -0.761 18.232 19.000 -0.011 0.000 0.826 4083 A HN 0.450 nan 8.150 nan 0.000 0.444 4084 I N -0.243 120.334 120.570 0.011 0.000 2.315 4084 I HA -0.190 3.980 4.170 0.000 0.000 0.248 4084 I C 2.658 178.807 176.117 0.053 0.000 1.117 4084 I CA 1.196 62.518 61.300 0.037 0.000 1.404 4084 I CB -1.355 36.674 38.000 0.048 0.000 1.071 4084 I HN 0.396 nan 8.210 nan 0.000 0.419 4085 Q N 0.537 120.358 119.800 0.035 0.000 1.965 4085 Q HA -0.115 4.225 4.340 0.000 0.000 0.200 4085 Q C 2.485 178.507 176.000 0.037 0.000 0.981 4085 Q CA 1.764 57.587 55.803 0.033 0.000 0.834 4085 Q CB -0.426 28.325 28.738 0.021 0.000 0.900 4085 Q HN 0.372 nan 8.270 nan 0.000 0.426 4086 S N 0.986 116.702 115.700 0.027 0.000 2.368 4086 S HA -0.117 4.354 4.470 0.000 0.000 0.225 4086 S C 1.951 176.571 174.600 0.033 0.000 1.030 4086 S CA 1.050 59.266 58.200 0.026 0.000 0.999 4086 S CB -0.235 62.975 63.200 0.017 0.000 0.844 4086 S HN 0.492 nan 8.310 nan 0.000 0.459 4087 A N 1.566 124.404 122.820 0.031 0.000 1.873 4087 A HA 0.136 4.456 4.320 0.000 0.000 0.215 4087 A C 2.362 179.986 177.584 0.066 0.000 1.186 4087 A CA 1.678 53.734 52.037 0.032 0.000 0.616 4087 A CB -1.118 17.886 19.000 0.006 0.000 0.823 4087 A HN 0.509 nan 8.150 nan 0.000 0.442 4088 A N -0.617 122.260 122.820 0.096 0.000 1.902 4088 A HA -0.131 4.189 4.320 0.000 0.000 0.217 4088 A C 1.991 179.657 177.584 0.137 0.000 1.181 4088 A CA 1.707 53.842 52.037 0.163 0.000 0.623 4088 A CB -0.375 18.736 19.000 0.186 0.000 0.818 4088 A HN 0.449 nan 8.150 nan 0.000 0.443 4089 E N -0.501 119.753 120.200 0.089 0.000 2.072 4089 E HA -0.088 4.262 4.350 0.000 0.000 0.190 4089 E C 2.310 178.949 176.600 0.065 0.000 0.982 4089 E CA 1.235 57.677 56.400 0.070 0.000 0.803 4089 E CB -0.489 29.240 29.700 0.047 0.000 0.755 4089 E HN 0.519 nan 8.360 nan 0.000 0.453 4090 S N -0.115 115.619 115.700 0.058 0.000 2.387 4090 S HA -0.083 4.387 4.470 0.000 0.000 0.226 4090 S C 1.998 176.633 174.600 0.059 0.000 1.026 4090 S CA 1.432 59.661 58.200 0.048 0.000 0.972 4090 S CB -0.107 63.115 63.200 0.036 0.000 0.814 4090 S HN 0.194 nan 8.310 nan 0.000 0.477 4091 T N 1.506 116.109 114.554 0.082 0.000 2.708 4091 T HA -0.094 4.256 4.350 0.000 0.000 0.266 4091 T C 1.750 176.533 174.700 0.137 0.000 1.037 4091 T CA 1.581 63.747 62.100 0.111 0.000 1.146 4091 T CB -0.371 68.581 68.868 0.141 0.000 0.865 4091 T HN 0.578 nan 8.240 nan 0.000 0.435 4092 E N 0.519 120.815 120.200 0.159 0.000 2.106 4092 E HA -0.113 4.237 4.350 0.000 0.000 0.192 4092 E C 2.216 178.854 176.600 0.064 0.000 0.984 4092 E CA 0.783 57.261 56.400 0.131 0.000 0.806 4092 E CB -0.183 29.600 29.700 0.139 0.000 0.750 4092 E HN 0.471 nan 8.360 nan 0.000 0.458 4093 M N 0.192 119.826 119.600 0.057 0.000 2.086 4093 M HA -0.196 4.284 4.480 0.000 0.000 0.261 4093 M C 1.791 178.106 176.300 0.025 0.000 1.067 4093 M CA 1.236 56.557 55.300 0.035 0.000 1.116 4093 M CB -0.005 32.615 32.600 0.033 0.000 1.348 4093 M HN 0.186 nan 8.290 nan 0.000 0.407 4094 L N 0.792 122.032 121.223 0.029 0.000 2.042 4094 L HA -0.173 4.167 4.340 0.000 0.000 0.210 4094 L C 2.239 179.113 176.870 0.006 0.000 1.076 4094 L CA 1.750 56.599 54.840 0.016 0.000 0.749 4094 L CB -1.071 41.000 42.059 0.020 0.000 0.893 4094 L HN 0.401 nan 8.230 nan 0.000 0.432 4095 L N -1.468 119.763 121.223 0.013 0.000 2.201 4095 L HA -0.153 4.187 4.340 0.000 0.000 0.212 4095 L C 2.481 179.337 176.870 -0.023 0.000 1.105 4095 L CA 0.743 55.575 54.840 -0.014 0.000 0.775 4095 L CB -0.387 41.654 42.059 -0.030 0.000 0.913 4095 L HN 0.214 nan 8.230 nan 0.000 0.440 4096 R N -0.075 120.421 120.500 -0.006 0.000 2.193 4096 R HA 0.102 4.442 4.340 0.000 0.000 0.213 4096 R C 0.536 176.835 176.300 -0.003 0.000 1.055 4096 R CA 0.317 56.415 56.100 -0.003 0.000 0.995 4096 R CB -0.042 30.263 30.300 0.008 0.000 0.893 4096 R HN 0.254 nan 8.270 nan 0.000 0.459 4097 I N 2.578 123.146 120.570 -0.003 0.000 2.471 4097 I HA -0.047 4.123 4.170 0.000 0.000 0.286 4097 I C 0.408 176.520 176.117 -0.009 0.000 1.079 4097 I CA 0.050 61.349 61.300 -0.003 0.000 1.398 4097 I CB 0.992 38.990 38.000 -0.003 0.000 1.403 4097 I HN 0.135 nan 8.210 nan 0.000 0.530 4098 D N 2.998 123.396 120.400 -0.003 0.000 2.503 4098 D HA 0.128 4.768 4.640 0.000 0.000 0.218 4098 D C -0.287 176.019 176.300 0.011 0.000 1.183 4098 D CA -0.040 53.956 54.000 -0.005 0.000 0.827 4098 D CB 0.387 41.180 40.800 -0.012 0.000 1.034 4098 D HN 0.354 nan 8.370 nan 0.000 0.510 4099 D N 0.058 120.471 120.400 0.022 0.000 2.688 4099 D HA 0.248 4.888 4.640 0.000 0.000 0.210 4099 D C -1.711 174.620 176.300 0.051 0.000 1.333 4099 D CA -0.471 53.552 54.000 0.039 0.000 0.920 4099 D CB 1.932 42.747 40.800 0.025 0.000 1.554 4099 D HN -0.170 nan 8.370 nan 0.000 0.579 4100 V N 4.266 124.238 119.914 0.096 0.000 2.444 4100 V HA 0.556 4.677 4.120 0.000 0.000 0.294 4100 V C -0.122 176.058 176.094 0.143 0.000 1.022 4100 V CA -0.668 61.703 62.300 0.118 0.000 0.850 4100 V CB 1.481 33.381 31.823 0.130 0.000 0.992 4100 V HN 0.431 nan 8.190 nan 0.000 0.426 4101 I N 4.574 125.198 120.570 0.089 0.000 2.390 4101 I HA 0.772 4.942 4.170 0.000 0.000 0.283 4101 I C 0.291 176.448 176.117 0.066 0.000 1.016 4101 I CA -0.054 61.282 61.300 0.060 0.000 1.151 4101 I CB 1.632 39.650 38.000 0.031 0.000 1.293 4101 I HN 0.684 nan 8.210 nan 0.000 0.458 4102 A N 4.343 127.210 122.820 0.079 0.000 2.401 4102 A HA 0.949 5.269 4.320 0.000 0.000 0.310 4102 A C -0.060 177.555 177.584 0.052 0.000 1.075 4102 A CA -0.683 51.403 52.037 0.082 0.000 0.746 4102 A CB 1.244 20.327 19.000 0.138 0.000 1.277 4102 A HN 0.748 nan 8.150 nan 0.000 0.425 4103 A N 0.744 123.591 122.820 0.044 0.000 2.448 4103 A HA 0.428 4.748 4.320 0.000 0.000 0.239 4103 A C 0.844 178.448 177.584 0.032 0.000 1.080 4103 A CA 0.014 52.068 52.037 0.029 0.000 0.779 4103 A CB -0.016 19.000 19.000 0.026 0.000 1.026 4103 A HN 0.923 nan 8.150 nan 0.000 0.499 4104 E N 0.000 120.211 120.200 0.019 0.000 2.725 4104 E HA 0.000 4.350 4.350 0.000 0.000 0.291 4104 E CA 0.000 56.411 56.400 0.018 0.000 0.976 4104 E CB 0.000 29.705 29.700 0.008 0.000 0.812 4104 E HN 0.000 nan 8.360 nan 0.000 0.440