REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3izm_1_H DATA FIRST_RESID 3592 DATA SEQUENCE VLPENMKRYM GRDAQRMNIL AGRIIAETVR STLGPKGMDK MLVDDLGDVV DATA SEQUENCE VTNDGVTILR EMSVEHPAAK MLIEVAKTQE KEVGDGTTTA VVVAGELLRK DATA SEQUENCE AEELLDQNVH PTIVVKGYQA AAQKAQELLK TIACEVGAQD KEILTKIAMT DATA SEQUENCE SITGKGAEKA KEKLAEIIVE AVSAVVDDEG KVDKDLIKIE KKSGASIDDT DATA SEQUENCE ELIKGVLVDK ERVSAQMPKK VTDAKIALLN CAIEIKETET DAEIRITDPA DATA SEQUENCE KLMEFIEQEE KMLKDMVAEI KASGANVLFC QKGIDDLAQH YLAKEGIVAA DATA SEQUENCE RRVKKSDMEK LAKATGANVI TNIKDLSAQD LGDAGLVEER KISGDSMIFV DATA SEQUENCE EECKHPKAVT MLIRGTTEHV IEEVARAVDD AVGVVGCTIE DGRIVSGGGS DATA SEQUENCE TEVELSMKLR EYAEGISGRE QLAVRAFADA LEVIPRTLAE NAGLDAIEIL DATA SEQUENCE VKVRAAHASN GNKCAGLNVF TGAVEDMCEN GVVEPLRVKT QAIQSAAEST DATA SEQUENCE EMLLRIDDVI AAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3592 V HA 0.000 nan 4.120 nan 0.000 0.244 3592 V C 0.000 176.084 176.094 -0.017 0.000 1.182 3592 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 3592 V CB 0.000 31.814 31.823 -0.016 0.000 1.184 3593 L N 2.407 123.618 121.223 -0.021 0.000 2.325 3593 L HA 0.621 4.961 4.340 0.000 0.000 0.278 3593 L C -2.352 174.504 176.870 -0.025 0.000 1.023 3593 L CA -1.586 53.239 54.840 -0.026 0.000 0.811 3593 L CB 1.052 43.090 42.059 -0.035 0.000 1.249 3593 L HN 0.158 nan 8.230 nan 0.000 0.431 3594 P HA 0.046 nan 4.420 nan 0.000 0.265 3594 P C -0.583 176.702 177.300 -0.024 0.000 1.193 3594 P CA -0.301 62.787 63.100 -0.021 0.000 0.765 3594 P CB 0.493 32.181 31.700 -0.019 0.000 0.823 3595 E N 2.919 123.107 120.200 -0.020 0.000 2.376 3595 E HA 0.040 4.391 4.350 0.000 0.000 0.266 3595 E C 0.507 177.094 176.600 -0.020 0.000 1.009 3595 E CA 0.620 57.007 56.400 -0.021 0.000 0.902 3595 E CB -0.139 29.552 29.700 -0.015 0.000 0.972 3595 E HN 0.395 nan 8.360 nan 0.000 0.439 3596 N N 1.952 120.637 118.700 -0.025 0.000 2.990 3596 N HA -0.199 4.541 4.740 0.000 0.000 0.163 3596 N C -0.159 175.330 175.510 -0.034 0.000 1.452 3596 N CA 0.655 53.692 53.050 -0.022 0.000 1.624 3596 N CB -1.159 37.319 38.487 -0.014 0.000 1.088 3596 N HN 0.583 nan 8.380 nan 0.000 0.695 3597 M N 2.842 122.416 119.600 -0.043 0.000 2.248 3597 M HA 0.066 4.546 4.480 0.000 0.000 0.345 3597 M C -0.451 175.790 176.300 -0.098 0.000 1.243 3597 M CA 0.666 55.929 55.300 -0.061 0.000 1.090 3597 M CB 0.410 32.976 32.600 -0.057 0.000 1.683 3597 M HN -0.122 nan 8.290 nan 0.000 0.450 3598 K N 5.196 125.519 120.400 -0.129 0.000 2.259 3598 K HA 0.538 4.858 4.320 0.000 0.000 0.252 3598 K C -1.123 175.275 176.600 -0.336 0.000 0.936 3598 K CA -0.575 55.559 56.287 -0.254 0.000 0.810 3598 K CB 2.197 34.572 32.500 -0.209 0.000 1.143 3598 K HN 0.770 nan 8.250 nan 0.000 0.427 3599 R N 2.143 122.332 120.500 -0.519 0.000 2.604 3599 R HA 0.422 4.762 4.340 0.000 0.000 0.281 3599 R C -1.484 174.465 176.300 -0.584 0.000 1.020 3599 R CA -0.529 55.322 56.100 -0.414 0.000 0.899 3599 R CB 1.208 31.389 30.300 -0.198 0.000 1.205 3599 R HN 0.601 nan 8.270 nan 0.000 0.450 3600 Y N 4.284 124.577 120.300 -0.013 0.000 2.512 3600 Y HA 0.594 5.144 4.550 0.000 0.000 0.348 3600 Y C 0.154 176.058 175.900 0.007 0.000 0.990 3600 Y CA -1.073 57.031 58.100 0.006 0.000 1.033 3600 Y CB 2.376 40.852 38.460 0.027 0.000 1.259 3600 Y HN 0.409 nan 8.280 nan 0.000 0.461 3601 M N 0.858 120.555 119.600 0.162 0.000 2.520 3601 M HA 0.772 5.252 4.480 0.000 0.000 0.280 3601 M C 0.052 176.394 176.300 0.070 0.000 1.232 3601 M CA -0.180 55.172 55.300 0.087 0.000 0.892 3601 M CB 1.226 33.853 32.600 0.046 0.000 1.728 3601 M HN 0.898 nan 8.290 nan 0.000 0.475 3602 G N 2.713 111.540 108.800 0.045 0.000 2.622 3602 G HA2 -0.378 3.582 3.960 0.000 0.000 0.307 3602 G HA3 -0.378 3.582 3.960 0.000 0.000 0.307 3602 G C 0.642 175.555 174.900 0.022 0.000 1.226 3602 G CA 1.333 46.448 45.100 0.024 0.000 0.997 3602 G HN 1.189 nan 8.290 nan 0.000 0.551 3603 R N 0.363 120.872 120.500 0.016 0.000 2.096 3603 R HA -0.070 4.270 4.340 0.000 0.000 0.235 3603 R C 2.155 178.467 176.300 0.020 0.000 1.127 3603 R CA 2.199 58.305 56.100 0.009 0.000 0.968 3603 R CB -0.405 29.898 30.300 0.005 0.000 0.861 3603 R HN 0.612 nan 8.270 nan 0.000 0.440 3604 D N 0.043 120.473 120.400 0.050 0.000 2.183 3604 D HA -0.074 4.566 4.640 0.000 0.000 0.203 3604 D C 1.700 178.034 176.300 0.056 0.000 0.969 3604 D CA 1.223 55.266 54.000 0.071 0.000 0.842 3604 D CB -0.060 40.834 40.800 0.156 0.000 0.957 3604 D HN 0.374 nan 8.370 nan 0.000 0.484 3605 A N 1.228 124.107 122.820 0.099 0.000 1.877 3605 A HA -0.191 4.129 4.320 0.000 0.000 0.216 3605 A C 2.155 179.759 177.584 0.034 0.000 1.186 3605 A CA 1.176 53.273 52.037 0.100 0.000 0.620 3605 A CB -0.361 18.706 19.000 0.111 0.000 0.822 3605 A HN 0.067 nan 8.150 nan 0.000 0.443 3606 Q N -0.707 119.104 119.800 0.017 0.000 2.079 3606 Q HA -0.161 4.179 4.340 0.000 0.000 0.200 3606 Q C 2.266 178.250 176.000 -0.026 0.000 0.974 3606 Q CA 1.606 57.407 55.803 -0.003 0.000 0.840 3606 Q CB -0.380 28.353 28.738 -0.010 0.000 0.898 3606 Q HN 0.758 nan 8.270 nan 0.000 0.430 3607 R N -0.157 120.322 120.500 -0.035 0.000 2.066 3607 R HA -0.060 4.280 4.340 0.000 0.000 0.232 3607 R C 2.157 178.395 176.300 -0.103 0.000 1.131 3607 R CA 1.096 57.162 56.100 -0.056 0.000 0.955 3607 R CB 0.049 30.322 30.300 -0.044 0.000 0.851 3607 R HN 0.135 nan 8.270 nan 0.000 0.432 3608 M N 0.763 120.276 119.600 -0.145 0.000 2.229 3608 M HA -0.104 4.376 4.480 0.000 0.000 0.264 3608 M C 1.647 177.786 176.300 -0.268 0.000 1.063 3608 M CA 1.412 56.569 55.300 -0.238 0.000 1.114 3608 M CB -1.096 31.249 32.600 -0.426 0.000 1.387 3608 M HN 0.293 nan 8.290 nan 0.000 0.420 3609 N N 0.223 118.842 118.700 -0.135 0.000 2.171 3609 N HA -0.057 4.683 4.740 0.000 0.000 0.184 3609 N C 1.834 177.265 175.510 -0.132 0.000 1.021 3609 N CA 1.049 54.029 53.050 -0.117 0.000 0.854 3609 N CB 0.083 38.576 38.487 0.009 0.000 0.994 3609 N HN 0.297 nan 8.380 nan 0.000 0.426 3610 I N 0.905 121.421 120.570 -0.091 0.000 2.286 3610 I HA -0.232 3.938 4.170 0.000 0.000 0.248 3610 I C 1.902 177.959 176.117 -0.099 0.000 1.115 3610 I CA 0.708 61.966 61.300 -0.070 0.000 1.392 3610 I CB -0.027 37.948 38.000 -0.042 0.000 1.065 3610 I HN 0.076 nan 8.210 nan 0.000 0.418 3611 L N 0.715 121.858 121.223 -0.133 0.000 2.005 3611 L HA -0.143 4.197 4.340 0.000 0.000 0.207 3611 L C 2.729 179.493 176.870 -0.175 0.000 1.072 3611 L CA 2.192 56.949 54.840 -0.138 0.000 0.744 3611 L CB -1.312 40.661 42.059 -0.143 0.000 0.895 3611 L HN 0.191 nan 8.230 nan 0.000 0.433 3612 A N -0.579 122.065 122.820 -0.295 0.000 1.917 3612 A HA -0.169 4.151 4.320 0.000 0.000 0.219 3612 A C 2.398 179.870 177.584 -0.188 0.000 1.182 3612 A CA 1.956 53.789 52.037 -0.341 0.000 0.633 3612 A CB -1.418 17.133 19.000 -0.750 0.000 0.819 3612 A HN 0.463 nan 8.150 nan 0.000 0.448 3613 G N -0.901 107.807 108.800 -0.154 0.000 2.404 3613 G HA2 -0.240 3.720 3.960 0.000 0.000 0.215 3613 G HA3 -0.240 3.720 3.960 0.000 0.000 0.215 3613 G C 1.751 176.609 174.900 -0.071 0.000 1.174 3613 G CA 1.020 46.068 45.100 -0.086 0.000 0.780 3613 G HN 0.566 nan 8.290 nan 0.000 0.537 3614 R N 0.015 120.470 120.500 -0.074 0.000 2.092 3614 R HA 0.068 4.408 4.340 0.000 0.000 0.231 3614 R C 2.542 178.806 176.300 -0.059 0.000 1.119 3614 R CA 0.914 56.977 56.100 -0.061 0.000 0.970 3614 R CB -0.315 29.951 30.300 -0.057 0.000 0.864 3614 R HN 0.424 nan 8.270 nan 0.000 0.440 3615 I N 0.729 121.257 120.570 -0.070 0.000 2.208 3615 I HA -0.311 3.859 4.170 0.000 0.000 0.245 3615 I C 2.043 178.132 176.117 -0.047 0.000 1.097 3615 I CA 0.922 62.186 61.300 -0.059 0.000 1.363 3615 I CB -0.211 37.748 38.000 -0.070 0.000 1.051 3615 I HN 0.212 nan 8.210 nan 0.000 0.413 3616 I N 1.025 121.566 120.570 -0.049 0.000 2.179 3616 I HA -0.276 3.894 4.170 0.000 0.000 0.242 3616 I C 2.857 178.954 176.117 -0.033 0.000 1.088 3616 I CA 1.767 63.046 61.300 -0.035 0.000 1.357 3616 I CB -1.529 36.452 38.000 -0.032 0.000 1.051 3616 I HN 0.192 nan 8.210 nan 0.000 0.409 3617 A N 0.282 123.079 122.820 -0.039 0.000 1.933 3617 A HA -0.186 4.134 4.320 0.000 0.000 0.218 3617 A C 2.158 179.721 177.584 -0.036 0.000 1.175 3617 A CA 1.371 53.385 52.037 -0.038 0.000 0.628 3617 A CB -0.414 18.559 19.000 -0.044 0.000 0.814 3617 A HN 0.369 nan 8.150 nan 0.000 0.444 3618 E N -0.458 119.720 120.200 -0.037 0.000 2.106 3618 E HA -0.106 4.244 4.350 0.000 0.000 0.192 3618 E C 2.085 178.668 176.600 -0.029 0.000 0.984 3618 E CA 1.614 57.994 56.400 -0.033 0.000 0.806 3618 E CB -0.655 29.025 29.700 -0.034 0.000 0.750 3618 E HN 0.601 nan 8.360 nan 0.000 0.458 3619 T N 1.046 115.584 114.554 -0.027 0.000 2.770 3619 T HA -0.091 4.260 4.350 0.000 0.000 0.263 3619 T C 2.124 176.812 174.700 -0.020 0.000 1.039 3619 T CA 1.637 63.724 62.100 -0.022 0.000 1.142 3619 T CB -0.110 68.747 68.868 -0.018 0.000 0.868 3619 T HN 0.200 nan 8.240 nan 0.000 0.435 3620 V N 1.878 121.779 119.914 -0.022 0.000 2.788 3620 V HA 0.050 4.170 4.120 0.000 0.000 0.251 3620 V C 2.345 178.425 176.094 -0.023 0.000 1.068 3620 V CA 1.125 63.413 62.300 -0.020 0.000 1.090 3620 V CB -0.891 30.921 31.823 -0.019 0.000 0.710 3620 V HN 0.464 nan 8.190 nan 0.000 0.467 3621 R N 2.719 123.203 120.500 -0.028 0.000 2.193 3621 R HA -0.079 4.261 4.340 0.000 0.000 0.229 3621 R C 2.010 178.292 176.300 -0.030 0.000 1.110 3621 R CA 1.667 57.748 56.100 -0.031 0.000 0.988 3621 R CB -1.065 29.214 30.300 -0.035 0.000 0.871 3621 R HN 0.681 nan 8.270 nan 0.000 0.458 3622 S N 0.187 115.870 115.700 -0.027 0.000 2.555 3622 S HA -0.077 4.393 4.470 0.000 0.000 0.230 3622 S C 1.695 176.279 174.600 -0.026 0.000 0.978 3622 S CA 0.788 58.971 58.200 -0.027 0.000 0.934 3622 S CB 0.059 63.245 63.200 -0.024 0.000 0.766 3622 S HN 0.588 nan 8.310 nan 0.000 0.533 3623 T N -1.168 113.371 114.554 -0.024 0.000 3.014 3623 T HA 0.328 4.678 4.350 0.000 0.000 0.250 3623 T C 0.392 175.078 174.700 -0.024 0.000 1.060 3623 T CA -0.451 61.636 62.100 -0.021 0.000 1.040 3623 T CB -0.438 68.421 68.868 -0.015 0.000 0.971 3623 T HN 0.266 nan 8.240 nan 0.000 0.497 3624 L N 2.758 123.965 121.223 -0.028 0.000 2.410 3624 L HA 0.557 4.897 4.340 0.000 0.000 0.273 3624 L C 0.635 177.481 176.870 -0.040 0.000 1.152 3624 L CA 1.556 56.379 54.840 -0.030 0.000 0.855 3624 L CB -0.371 41.669 42.059 -0.031 0.000 1.129 3624 L HN 0.735 nan 8.230 nan 0.000 0.463 3625 G N 3.938 112.714 108.800 -0.040 0.000 2.662 3625 G HA2 -0.127 3.833 3.960 0.000 0.000 0.686 3625 G HA3 -0.127 3.833 3.960 0.000 0.000 0.686 3625 G C -2.147 172.706 174.900 -0.079 0.000 1.271 3625 G CA -0.459 44.604 45.100 -0.062 0.000 0.816 3625 G HN 0.488 nan 8.290 nan 0.000 0.608 3626 P HA -0.023 nan 4.420 nan 0.000 0.217 3626 P C 1.443 178.651 177.300 -0.154 0.000 1.148 3626 P CA 1.489 64.477 63.100 -0.187 0.000 0.828 3626 P CB 0.047 31.440 31.700 -0.512 0.000 0.783 3627 K N -1.011 119.299 120.400 -0.150 0.000 2.397 3627 K HA 0.243 4.563 4.320 0.000 0.000 0.202 3627 K C 1.034 177.593 176.600 -0.069 0.000 1.022 3627 K CA -0.182 56.042 56.287 -0.105 0.000 1.141 3627 K CB -0.126 32.307 32.500 -0.111 0.000 0.857 3627 K HN 0.040 nan 8.250 nan 0.000 0.514 3628 G N 0.532 109.296 108.800 -0.061 0.000 2.527 3628 G HA2 0.200 4.160 3.960 0.000 0.000 0.248 3628 G HA3 0.200 4.160 3.960 0.000 0.000 0.248 3628 G C -0.020 174.861 174.900 -0.031 0.000 1.231 3628 G CA -0.421 44.654 45.100 -0.042 0.000 0.838 3628 G HN -0.054 nan 8.290 nan 0.000 0.570 3629 M N 0.156 119.741 119.600 -0.026 0.000 2.531 3629 M HA 0.427 4.907 4.480 0.000 0.000 0.262 3629 M C -0.608 175.683 176.300 -0.015 0.000 1.168 3629 M CA -0.545 54.742 55.300 -0.020 0.000 0.926 3629 M CB 1.384 33.971 32.600 -0.021 0.000 1.445 3629 M HN 0.351 nan 8.290 nan 0.000 0.531 3630 D N 0.330 120.722 120.400 -0.013 0.000 2.374 3630 D HA 0.505 5.145 4.640 0.000 0.000 0.239 3630 D C -0.625 175.668 176.300 -0.011 0.000 0.991 3630 D CA -0.415 53.580 54.000 -0.009 0.000 0.960 3630 D CB 1.383 42.180 40.800 -0.005 0.000 1.284 3630 D HN 0.100 nan 8.370 nan 0.000 0.512 3631 K N 0.682 121.078 120.400 -0.007 0.000 2.259 3631 K HA 0.503 4.823 4.320 0.000 0.000 0.249 3631 K C -0.679 175.917 176.600 -0.007 0.000 0.942 3631 K CA -0.669 55.614 56.287 -0.007 0.000 0.816 3631 K CB 2.321 34.818 32.500 -0.004 0.000 1.155 3631 K HN 0.438 nan 8.250 nan 0.000 0.428 3632 M N 3.625 123.218 119.600 -0.012 0.000 2.046 3632 M HA 0.287 4.767 4.480 0.000 0.000 0.309 3632 M C -1.683 174.615 176.300 -0.004 0.000 0.935 3632 M CA -0.962 54.329 55.300 -0.015 0.000 0.915 3632 M CB 0.533 33.112 32.600 -0.035 0.000 1.474 3632 M HN 0.348 nan 8.290 nan 0.000 0.415 3633 L N 6.000 127.229 121.223 0.009 0.000 2.280 3633 L HA 0.529 4.869 4.340 0.000 0.000 0.287 3633 L C -0.859 176.024 176.870 0.021 0.000 1.023 3633 L CA -0.331 54.517 54.840 0.013 0.000 0.819 3633 L CB 1.757 43.825 42.059 0.016 0.000 1.212 3633 L HN 0.408 nan 8.230 nan 0.000 0.420 3634 V N 2.830 122.753 119.914 0.015 0.000 2.378 3634 V HA 0.342 4.462 4.120 0.000 0.000 0.288 3634 V C -0.151 175.954 176.094 0.017 0.000 1.016 3634 V CA -0.959 61.353 62.300 0.019 0.000 0.840 3634 V CB 1.396 33.227 31.823 0.013 0.000 0.994 3634 V HN 0.798 nan 8.190 nan 0.000 0.431 3635 D N 3.555 123.967 120.400 0.020 0.000 2.380 3635 D HA -0.008 4.633 4.640 0.000 0.000 0.254 3635 D C 1.042 177.350 176.300 0.014 0.000 1.288 3635 D CA -0.219 53.791 54.000 0.017 0.000 1.008 3635 D CB 0.480 41.290 40.800 0.017 0.000 1.099 3635 D HN 0.562 nan 8.370 nan 0.000 0.537 3636 D N -0.886 119.522 120.400 0.012 0.000 2.371 3636 D HA -0.121 4.519 4.640 0.000 0.000 0.221 3636 D C 1.595 177.901 176.300 0.011 0.000 0.986 3636 D CA 0.494 54.500 54.000 0.011 0.000 0.899 3636 D CB -0.166 40.640 40.800 0.010 0.000 0.902 3636 D HN 0.390 nan 8.370 nan 0.000 0.530 3637 L N -0.944 120.286 121.223 0.012 0.000 2.590 3637 L HA 0.322 4.662 4.340 0.000 0.000 0.227 3637 L C 1.750 178.628 176.870 0.015 0.000 1.099 3637 L CA 0.494 55.341 54.840 0.012 0.000 0.872 3637 L CB 0.339 42.405 42.059 0.012 0.000 1.088 3637 L HN 0.287 nan 8.230 nan 0.000 0.479 3638 G N -0.232 108.578 108.800 0.017 0.000 2.201 3638 G HA2 -0.247 3.713 3.960 0.000 0.000 0.212 3638 G HA3 -0.247 3.713 3.960 0.000 0.000 0.212 3638 G C 0.061 174.980 174.900 0.030 0.000 0.994 3638 G CA -0.063 45.049 45.100 0.020 0.000 0.644 3638 G HN 0.305 nan 8.290 nan 0.000 0.508 3639 D N 1.281 121.700 120.400 0.032 0.000 2.434 3639 D HA 0.376 5.016 4.640 0.000 0.000 0.252 3639 D C 0.523 176.860 176.300 0.062 0.000 1.185 3639 D CA 0.241 54.267 54.000 0.044 0.000 0.886 3639 D CB 1.087 41.905 40.800 0.031 0.000 1.148 3639 D HN 0.230 nan 8.370 nan 0.000 0.483 3640 V N 4.884 124.862 119.914 0.107 0.000 2.370 3640 V HA 0.260 4.380 4.120 0.000 0.000 0.279 3640 V C 0.230 176.466 176.094 0.237 0.000 1.029 3640 V CA -0.833 61.547 62.300 0.134 0.000 0.870 3640 V CB 1.618 33.503 31.823 0.103 0.000 0.984 3640 V HN 0.327 nan 8.190 nan 0.000 0.451 3641 V N 6.018 126.013 119.914 0.134 0.000 2.357 3641 V HA 0.423 4.543 4.120 0.000 0.000 0.284 3641 V C -0.162 175.997 176.094 0.107 0.000 1.018 3641 V CA -0.507 61.875 62.300 0.137 0.000 0.841 3641 V CB 1.802 33.667 31.823 0.071 0.000 0.991 3641 V HN 0.606 nan 8.190 nan 0.000 0.437 3642 V N 4.670 124.688 119.914 0.173 0.000 2.350 3642 V HA 0.710 4.830 4.120 0.000 0.000 0.285 3642 V C 0.073 176.217 176.094 0.083 0.000 1.014 3642 V CA 0.026 62.371 62.300 0.075 0.000 0.831 3642 V CB 1.553 33.365 31.823 -0.017 0.000 1.000 3642 V HN 0.978 nan 8.190 nan 0.000 0.433 3643 T N 2.716 117.296 114.554 0.043 0.000 2.792 3643 T HA 0.334 4.684 4.350 0.000 0.000 0.303 3643 T C 0.151 174.861 174.700 0.017 0.000 1.310 3643 T CA -0.342 61.779 62.100 0.034 0.000 1.007 3643 T CB 2.141 71.028 68.868 0.032 0.000 1.335 3643 T HN 0.560 nan 8.240 nan 0.000 0.504 3644 N N 0.283 118.991 118.700 0.014 0.000 2.257 3644 N HA 0.118 4.858 4.740 0.000 0.000 0.200 3644 N C -0.806 174.707 175.510 0.004 0.000 1.163 3644 N CA 0.083 53.136 53.050 0.006 0.000 0.891 3644 N CB 0.463 38.953 38.487 0.005 0.000 1.067 3644 N HN 0.610 nan 8.380 nan 0.000 0.497 3645 D N -0.005 120.400 120.400 0.008 0.000 2.434 3645 D HA 0.157 4.797 4.640 0.000 0.000 0.252 3645 D C 1.370 177.671 176.300 0.003 0.000 1.185 3645 D CA 0.212 54.216 54.000 0.005 0.000 0.886 3645 D CB 1.113 41.918 40.800 0.008 0.000 1.148 3645 D HN 0.251 nan 8.370 nan 0.000 0.483 3646 G N 1.626 110.426 108.800 -0.001 0.000 2.421 3646 G HA2 -0.241 3.719 3.960 0.000 0.000 0.216 3646 G HA3 -0.241 3.719 3.960 0.000 0.000 0.216 3646 G C 1.537 176.436 174.900 -0.001 0.000 1.171 3646 G CA 0.326 45.424 45.100 -0.003 0.000 0.775 3646 G HN 0.461 nan 8.290 nan 0.000 0.543 3647 V N 0.826 120.741 119.914 0.000 0.000 2.490 3647 V HA -0.129 3.991 4.120 0.000 0.000 0.250 3647 V C 2.925 179.021 176.094 0.005 0.000 1.061 3647 V CA 2.878 65.180 62.300 0.002 0.000 1.064 3647 V CB -0.614 31.210 31.823 0.002 0.000 0.670 3647 V HN 0.403 nan 8.190 nan 0.000 0.461 3648 T N 0.536 115.093 114.554 0.006 0.000 2.812 3648 T HA -0.045 4.305 4.350 0.000 0.000 0.264 3648 T C 1.759 176.464 174.700 0.009 0.000 1.042 3648 T CA 1.911 64.016 62.100 0.008 0.000 1.140 3648 T CB -0.261 68.613 68.868 0.010 0.000 0.870 3648 T HN 0.474 nan 8.240 nan 0.000 0.445 3649 I N 0.654 121.229 120.570 0.008 0.000 2.264 3649 I HA -0.150 4.020 4.170 0.000 0.000 0.248 3649 I C 2.014 178.135 176.117 0.007 0.000 1.111 3649 I CA 0.917 62.221 61.300 0.007 0.000 1.382 3649 I CB -0.272 37.730 38.000 0.003 0.000 1.060 3649 I HN 0.163 nan 8.210 nan 0.000 0.418 3650 L N 0.229 121.455 121.223 0.005 0.000 2.156 3650 L HA -0.100 4.240 4.340 0.000 0.000 0.208 3650 L C 2.523 179.399 176.870 0.009 0.000 1.095 3650 L CA 1.616 56.460 54.840 0.006 0.000 0.770 3650 L CB -0.764 41.297 42.059 0.004 0.000 0.914 3650 L HN 0.095 nan 8.230 nan 0.000 0.439 3651 R N -0.851 119.655 120.500 0.009 0.000 2.075 3651 R HA -0.097 4.243 4.340 0.000 0.000 0.232 3651 R C 2.033 178.340 176.300 0.011 0.000 1.126 3651 R CA 0.956 57.062 56.100 0.010 0.000 0.963 3651 R CB -0.111 30.194 30.300 0.009 0.000 0.858 3651 R HN 0.319 nan 8.270 nan 0.000 0.435 3652 E N 0.875 121.082 120.200 0.012 0.000 2.086 3652 E HA -0.060 4.290 4.350 0.000 0.000 0.190 3652 E C 1.222 177.830 176.600 0.013 0.000 0.975 3652 E CA 0.501 56.909 56.400 0.013 0.000 0.813 3652 E CB -0.125 29.584 29.700 0.015 0.000 0.768 3652 E HN 0.355 nan 8.360 nan 0.000 0.457 3653 M N -0.035 119.572 119.600 0.012 0.000 2.240 3653 M HA 0.090 4.570 4.480 0.000 0.000 0.317 3653 M C 0.509 176.817 176.300 0.014 0.000 1.087 3653 M CA 0.358 55.665 55.300 0.012 0.000 1.176 3653 M CB 0.539 33.145 32.600 0.010 0.000 1.439 3653 M HN -0.257 nan 8.290 nan 0.000 0.452 3654 S N 2.207 117.916 115.700 0.015 0.000 2.473 3654 S HA 0.440 4.910 4.470 0.000 0.000 0.312 3654 S C -0.730 173.884 174.600 0.023 0.000 1.087 3654 S CA -0.790 57.421 58.200 0.018 0.000 1.077 3654 S CB -0.280 62.930 63.200 0.017 0.000 1.065 3654 S HN 0.516 nan 8.310 nan 0.000 0.510 3655 V N 5.667 125.597 119.914 0.027 0.000 2.439 3655 V HA 0.400 4.520 4.120 0.000 0.000 0.282 3655 V C 0.720 176.842 176.094 0.047 0.000 1.039 3655 V CA -0.379 61.944 62.300 0.038 0.000 0.913 3655 V CB 1.637 33.483 31.823 0.038 0.000 0.983 3655 V HN 0.779 nan 8.190 nan 0.000 0.460 3656 E N 1.086 121.325 120.200 0.065 0.000 2.256 3656 E HA 0.084 4.434 4.350 0.000 0.000 0.198 3656 E C 0.727 177.376 176.600 0.082 0.000 0.908 3656 E CA 0.072 56.509 56.400 0.062 0.000 0.915 3656 E CB -0.000 29.735 29.700 0.058 0.000 0.890 3656 E HN 0.692 nan 8.360 nan 0.000 0.484 3657 H N 2.795 121.882 119.070 0.028 0.000 2.886 3657 H HA 0.024 4.580 4.556 0.000 0.000 0.329 3657 H C -1.713 173.632 175.328 0.027 0.000 1.044 3657 H CA -1.266 54.802 56.048 0.033 0.000 1.456 3657 H CB 1.446 31.213 29.762 0.007 0.000 1.464 3657 H HN -0.190 nan 8.280 nan 0.000 0.573 3658 P HA -0.125 nan 4.420 nan 0.000 0.218 3658 P C 1.051 178.469 177.300 0.197 0.000 1.148 3658 P CA 1.938 65.093 63.100 0.091 0.000 0.822 3658 P CB 0.146 31.848 31.700 0.004 0.000 0.784 3659 A N 0.009 123.088 122.820 0.431 0.000 1.898 3659 A HA -0.046 4.274 4.320 0.000 0.000 0.216 3659 A C 2.315 179.950 177.584 0.084 0.000 1.181 3659 A CA 1.886 54.046 52.037 0.204 0.000 0.620 3659 A CB -1.540 17.511 19.000 0.086 0.000 0.819 3659 A HN 0.187 nan 8.150 nan 0.000 0.442 3660 A N -0.121 122.747 122.820 0.080 0.000 1.972 3660 A HA -0.136 4.184 4.320 0.000 0.000 0.219 3660 A C 2.071 179.682 177.584 0.045 0.000 1.169 3660 A CA 1.727 53.782 52.037 0.029 0.000 0.635 3660 A CB -0.390 18.624 19.000 0.022 0.000 0.810 3660 A HN 0.546 nan 8.150 nan 0.000 0.446 3661 K N -0.974 119.468 120.400 0.070 0.000 2.097 3661 K HA -0.057 4.263 4.320 0.000 0.000 0.205 3661 K C 1.889 178.514 176.600 0.041 0.000 1.050 3661 K CA 1.339 57.656 56.287 0.051 0.000 0.938 3661 K CB -0.206 32.326 32.500 0.053 0.000 0.718 3661 K HN 0.358 nan 8.250 nan 0.000 0.442 3662 M N 0.594 120.223 119.600 0.048 0.000 2.254 3662 M HA -0.067 4.413 4.480 0.000 0.000 0.265 3662 M C 2.151 178.467 176.300 0.026 0.000 1.066 3662 M CA 1.132 56.455 55.300 0.037 0.000 1.123 3662 M CB -0.656 31.971 32.600 0.043 0.000 1.388 3662 M HN 0.204 nan 8.290 nan 0.000 0.425 3663 L N 0.108 121.344 121.223 0.021 0.000 2.083 3663 L HA -0.201 4.139 4.340 0.000 0.000 0.209 3663 L C 2.216 179.091 176.870 0.009 0.000 1.083 3663 L CA 1.037 55.883 54.840 0.010 0.000 0.752 3663 L CB -0.164 41.894 42.059 -0.002 0.000 0.899 3663 L HN 0.189 nan 8.230 nan 0.000 0.433 3664 I N -0.449 120.129 120.570 0.013 0.000 2.286 3664 I HA -0.283 3.887 4.170 0.000 0.000 0.248 3664 I C 2.439 178.563 176.117 0.012 0.000 1.115 3664 I CA 1.006 62.313 61.300 0.012 0.000 1.392 3664 I CB -0.319 37.691 38.000 0.015 0.000 1.065 3664 I HN 0.277 nan 8.210 nan 0.000 0.418 3665 E N 0.471 120.680 120.200 0.015 0.000 2.110 3665 E HA -0.156 4.194 4.350 0.000 0.000 0.193 3665 E C 2.431 179.038 176.600 0.012 0.000 0.988 3665 E CA 1.112 57.520 56.400 0.014 0.000 0.804 3665 E CB -0.275 29.436 29.700 0.018 0.000 0.745 3665 E HN 0.357 nan 8.360 nan 0.000 0.458 3666 V N 1.537 121.458 119.914 0.012 0.000 2.358 3666 V HA -0.231 3.889 4.120 0.000 0.000 0.246 3666 V C 2.462 178.560 176.094 0.006 0.000 1.047 3666 V CA 1.772 64.077 62.300 0.010 0.000 1.035 3666 V CB -0.819 31.009 31.823 0.009 0.000 0.658 3666 V HN 0.242 nan 8.190 nan 0.000 0.452 3667 A N -0.353 122.469 122.820 0.004 0.000 1.933 3667 A HA -0.217 4.103 4.320 0.000 0.000 0.218 3667 A C 2.284 179.870 177.584 0.004 0.000 1.175 3667 A CA 1.801 53.839 52.037 0.002 0.000 0.628 3667 A CB -0.396 18.604 19.000 0.001 0.000 0.814 3667 A HN 0.542 nan 8.150 nan 0.000 0.444 3668 K N -0.940 119.464 120.400 0.006 0.000 2.148 3668 K HA -0.062 4.258 4.320 0.000 0.000 0.204 3668 K C 1.988 178.591 176.600 0.005 0.000 1.050 3668 K CA 1.517 57.807 56.287 0.006 0.000 0.942 3668 K CB -0.278 32.226 32.500 0.007 0.000 0.724 3668 K HN 0.450 nan 8.250 nan 0.000 0.446 3669 T N 1.418 115.975 114.554 0.006 0.000 2.777 3669 T HA -0.115 4.235 4.350 0.000 0.000 0.266 3669 T C 1.810 176.513 174.700 0.005 0.000 1.040 3669 T CA 1.006 63.110 62.100 0.006 0.000 1.141 3669 T CB -0.032 68.841 68.868 0.008 0.000 0.868 3669 T HN 0.158 nan 8.240 nan 0.000 0.444 3670 Q N 0.745 120.547 119.800 0.004 0.000 2.124 3670 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 3670 Q C 2.349 178.350 176.000 0.002 0.000 0.977 3670 Q CA 1.322 57.127 55.803 0.002 0.000 0.850 3670 Q CB -0.409 28.329 28.738 0.000 0.000 0.901 3670 Q HN 0.553 nan 8.270 nan 0.000 0.429 3671 E N 1.372 121.573 120.200 0.002 0.000 2.051 3671 E HA -0.172 4.178 4.350 0.000 0.000 0.192 3671 E C 1.899 178.500 176.600 0.002 0.000 0.991 3671 E CA 1.390 57.792 56.400 0.002 0.000 0.799 3671 E CB -0.077 29.624 29.700 0.002 0.000 0.748 3671 E HN 0.055 nan 8.360 nan 0.000 0.449 3672 K N 0.055 120.456 120.400 0.002 0.000 2.057 3672 K HA -0.146 4.174 4.320 0.000 0.000 0.206 3672 K C 1.786 178.387 176.600 0.001 0.000 1.050 3672 K CA 1.376 57.664 56.287 0.001 0.000 0.935 3672 K CB 0.009 32.510 32.500 0.002 0.000 0.715 3672 K HN 0.155 nan 8.250 nan 0.000 0.439 3673 E N 0.072 120.273 120.200 0.002 0.000 2.033 3673 E HA -0.094 4.256 4.350 0.000 0.000 0.189 3673 E C 1.994 178.595 176.600 0.001 0.000 0.979 3673 E CA 1.687 58.087 56.400 0.002 0.000 0.802 3673 E CB 0.148 29.850 29.700 0.003 0.000 0.763 3673 E HN 0.339 nan 8.360 nan 0.000 0.449 3674 V N -4.821 115.094 119.914 0.001 0.000 3.562 3674 V HA 0.520 4.640 4.120 0.000 0.000 0.270 3674 V C 1.389 177.484 176.094 0.001 0.000 1.418 3674 V CA 0.856 63.156 62.300 0.001 0.000 1.033 3674 V CB 0.646 32.470 31.823 0.002 0.000 0.820 3674 V HN 0.301 nan 8.190 nan 0.000 0.441 3675 G N 0.762 109.562 108.800 0.001 0.000 4.365 3675 G HA2 -0.277 3.683 3.960 0.000 0.000 0.214 3675 G HA3 -0.277 3.683 3.960 0.000 0.000 0.214 3675 G C 0.161 175.062 174.900 0.002 0.000 1.450 3675 G CA 0.505 45.606 45.100 0.001 0.000 0.937 3675 G HN 0.627 nan 8.290 nan 0.000 0.625 3676 D N 1.170 121.571 120.400 0.003 0.000 2.506 3676 D HA 0.485 5.125 4.640 0.000 0.000 0.272 3676 D C 1.555 177.856 176.300 0.001 0.000 1.214 3676 D CA 1.171 55.172 54.000 0.003 0.000 1.067 3676 D CB 0.658 41.461 40.800 0.006 0.000 1.117 3676 D HN 1.621 nan 8.370 nan 0.000 0.578 3677 G N -0.493 108.307 108.800 -0.000 0.000 2.162 3677 G HA2 -0.341 3.619 3.960 0.000 0.000 0.260 3677 G HA3 -0.341 3.619 3.960 0.000 0.000 0.260 3677 G C 1.091 175.987 174.900 -0.007 0.000 0.976 3677 G CA 1.634 46.732 45.100 -0.004 0.000 0.655 3677 G HN 0.614 nan 8.290 nan 0.000 0.533 3678 T N -2.491 112.060 114.554 -0.006 0.000 2.674 3678 T HA -0.121 4.229 4.350 0.000 0.000 0.265 3678 T C 2.241 176.934 174.700 -0.012 0.000 1.039 3678 T CA 2.558 64.654 62.100 -0.007 0.000 1.150 3678 T CB -0.808 68.058 68.868 -0.004 0.000 0.864 3678 T HN 0.355 nan 8.240 nan 0.000 0.427 3679 T N 2.446 116.993 114.554 -0.012 0.000 2.720 3679 T HA -0.127 4.223 4.350 0.000 0.000 0.268 3679 T C 2.435 177.120 174.700 -0.025 0.000 1.037 3679 T CA 2.144 64.233 62.100 -0.018 0.000 1.144 3679 T CB -1.038 67.820 68.868 -0.016 0.000 0.864 3679 T HN 0.843 nan 8.240 nan 0.000 0.444 3680 T N 0.768 115.307 114.554 -0.024 0.000 2.867 3680 T HA 0.100 4.450 4.350 0.000 0.000 0.268 3680 T C 2.245 176.922 174.700 -0.039 0.000 1.057 3680 T CA 1.018 63.099 62.100 -0.033 0.000 1.136 3680 T CB -0.494 68.357 68.868 -0.028 0.000 0.874 3680 T HN 0.334 nan 8.240 nan 0.000 0.466 3681 A N 1.085 123.887 122.820 -0.030 0.000 1.898 3681 A HA 0.128 4.448 4.320 0.000 0.000 0.216 3681 A C 2.607 180.169 177.584 -0.035 0.000 1.181 3681 A CA 1.473 53.492 52.037 -0.031 0.000 0.620 3681 A CB -0.960 18.029 19.000 -0.018 0.000 0.819 3681 A HN 0.426 nan 8.150 nan 0.000 0.442 3682 V N -0.542 119.353 119.914 -0.031 0.000 2.358 3682 V HA -0.191 3.929 4.120 0.000 0.000 0.246 3682 V C 2.548 178.615 176.094 -0.044 0.000 1.047 3682 V CA 1.848 64.129 62.300 -0.032 0.000 1.035 3682 V CB -0.723 31.085 31.823 -0.025 0.000 0.658 3682 V HN 0.353 nan 8.190 nan 0.000 0.452 3683 V N -0.569 119.317 119.914 -0.047 0.000 2.307 3683 V HA -0.196 3.924 4.120 0.000 0.000 0.245 3683 V C 2.449 178.499 176.094 -0.074 0.000 1.045 3683 V CA 2.048 64.314 62.300 -0.055 0.000 1.024 3683 V CB -0.256 31.536 31.823 -0.051 0.000 0.651 3683 V HN 0.416 nan 8.190 nan 0.000 0.449 3684 V N -0.005 119.858 119.914 -0.086 0.000 2.515 3684 V HA -0.168 3.952 4.120 0.000 0.000 0.250 3684 V C 2.504 178.513 176.094 -0.142 0.000 1.058 3684 V CA 1.957 64.182 62.300 -0.126 0.000 1.064 3684 V CB -0.208 31.532 31.823 -0.138 0.000 0.675 3684 V HN 0.521 nan 8.190 nan 0.000 0.461 3685 A N -0.225 122.535 122.820 -0.100 0.000 1.929 3685 A HA 0.037 4.357 4.320 0.000 0.000 0.216 3685 A C 2.325 179.869 177.584 -0.067 0.000 1.176 3685 A CA 1.583 53.571 52.037 -0.080 0.000 0.628 3685 A CB -1.132 17.841 19.000 -0.046 0.000 0.816 3685 A HN 0.586 nan 8.150 nan 0.000 0.444 3686 G N -0.369 108.393 108.800 -0.064 0.000 2.418 3686 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 3686 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 3686 G C 1.472 176.337 174.900 -0.059 0.000 1.158 3686 G CA 1.310 46.377 45.100 -0.055 0.000 0.771 3686 G HN 0.555 nan 8.290 nan 0.000 0.545 3687 E N -0.037 120.116 120.200 -0.077 0.000 2.107 3687 E HA -0.035 4.315 4.350 0.000 0.000 0.191 3687 E C 2.280 178.826 176.600 -0.090 0.000 0.982 3687 E CA 0.387 56.738 56.400 -0.082 0.000 0.809 3687 E CB -0.396 29.243 29.700 -0.101 0.000 0.756 3687 E HN 0.251 nan 8.360 nan 0.000 0.459 3688 L N 0.155 121.299 121.223 -0.131 0.000 2.083 3688 L HA -0.087 4.253 4.340 0.000 0.000 0.209 3688 L C 1.996 178.862 176.870 -0.006 0.000 1.083 3688 L CA 1.597 56.338 54.840 -0.165 0.000 0.752 3688 L CB -0.370 41.539 42.059 -0.251 0.000 0.899 3688 L HN 0.262 nan 8.230 nan 0.000 0.433 3689 L N -1.185 120.042 121.223 0.005 0.000 2.109 3689 L HA -0.151 4.189 4.340 0.000 0.000 0.207 3689 L C 2.690 179.578 176.870 0.029 0.000 1.086 3689 L CA 1.014 55.879 54.840 0.041 0.000 0.760 3689 L CB -0.484 41.580 42.059 0.007 0.000 0.910 3689 L HN 0.242 nan 8.230 nan 0.000 0.437 3690 R N 0.717 121.217 120.500 -0.000 0.000 2.091 3690 R HA -0.145 4.195 4.340 0.000 0.000 0.238 3690 R C 2.198 178.510 176.300 0.020 0.000 1.136 3690 R CA 1.478 57.576 56.100 -0.003 0.000 0.959 3690 R CB -0.116 30.171 30.300 -0.022 0.000 0.856 3690 R HN 0.068 nan 8.270 nan 0.000 0.437 3691 K N -0.089 120.332 120.400 0.035 0.000 2.155 3691 K HA 0.083 4.403 4.320 0.000 0.000 0.203 3691 K C 1.921 178.605 176.600 0.139 0.000 1.052 3691 K CA 1.125 57.456 56.287 0.074 0.000 0.948 3691 K CB -0.219 32.320 32.500 0.065 0.000 0.728 3691 K HN 0.291 nan 8.250 nan 0.000 0.448 3692 A N 1.445 124.375 122.820 0.182 0.000 1.933 3692 A HA -0.190 4.130 4.320 0.000 0.000 0.218 3692 A C 2.128 179.747 177.584 0.058 0.000 1.175 3692 A CA 1.614 53.746 52.037 0.158 0.000 0.628 3692 A CB -0.350 18.768 19.000 0.197 0.000 0.814 3692 A HN 0.420 nan 8.150 nan 0.000 0.444 3693 E N -0.407 119.818 120.200 0.042 0.000 2.106 3693 E HA -0.195 4.155 4.350 0.000 0.000 0.192 3693 E C 1.739 178.346 176.600 0.012 0.000 0.984 3693 E CA 1.031 57.439 56.400 0.014 0.000 0.806 3693 E CB -0.036 29.666 29.700 0.003 0.000 0.750 3693 E HN 0.524 nan 8.360 nan 0.000 0.458 3694 E N 0.501 120.715 120.200 0.024 0.000 2.110 3694 E HA -0.172 4.178 4.350 0.000 0.000 0.193 3694 E C 2.243 178.854 176.600 0.019 0.000 0.988 3694 E CA 0.730 57.143 56.400 0.021 0.000 0.804 3694 E CB -0.143 29.574 29.700 0.029 0.000 0.745 3694 E HN 0.403 nan 8.360 nan 0.000 0.458 3695 L N 0.060 121.299 121.223 0.026 0.000 2.093 3695 L HA -0.163 4.177 4.340 0.000 0.000 0.208 3695 L C 2.293 179.157 176.870 -0.010 0.000 1.085 3695 L CA 0.362 55.207 54.840 0.010 0.000 0.755 3695 L CB -0.284 41.775 42.059 0.000 0.000 0.904 3695 L HN 0.120 nan 8.230 nan 0.000 0.435 3696 L N -0.182 121.032 121.223 -0.014 0.000 2.141 3696 L HA -0.208 4.132 4.340 0.000 0.000 0.209 3696 L C 2.071 178.931 176.870 -0.017 0.000 1.094 3696 L CA 1.666 56.491 54.840 -0.025 0.000 0.763 3696 L CB -0.800 41.242 42.059 -0.027 0.000 0.908 3696 L HN 0.225 nan 8.230 nan 0.000 0.437 3697 D N -1.369 119.027 120.400 -0.007 0.000 2.178 3697 D HA -0.169 4.471 4.640 0.000 0.000 0.202 3697 D C 1.900 178.199 176.300 -0.002 0.000 0.974 3697 D CA 0.754 54.752 54.000 -0.004 0.000 0.841 3697 D CB 0.224 41.024 40.800 -0.000 0.000 0.953 3697 D HN 0.217 nan 8.370 nan 0.000 0.478 3698 Q N 0.033 119.833 119.800 -0.000 0.000 2.444 3698 Q HA 0.056 4.396 4.340 0.000 0.000 0.206 3698 Q C 0.035 176.035 176.000 0.001 0.000 0.948 3698 Q CA 0.209 56.014 55.803 0.002 0.000 0.946 3698 Q CB 0.147 28.889 28.738 0.007 0.000 1.027 3698 Q HN 0.363 nan 8.270 nan 0.000 0.513 3699 N N -0.210 118.487 118.700 -0.005 0.000 2.780 3699 N HA -0.135 4.605 4.740 0.000 0.000 0.248 3699 N C -0.905 174.606 175.510 0.002 0.000 1.102 3699 N CA 0.403 53.450 53.050 -0.005 0.000 0.697 3699 N CB -1.768 36.721 38.487 0.003 0.000 1.028 3699 N HN 0.007 nan 8.380 nan 0.000 0.554 3700 V N 1.767 121.677 119.914 -0.006 0.000 2.408 3700 V HA 0.062 4.182 4.120 0.000 0.000 0.267 3700 V C 1.131 177.223 176.094 -0.004 0.000 1.047 3700 V CA -0.569 61.732 62.300 0.003 0.000 0.937 3700 V CB 1.128 32.943 31.823 -0.013 0.000 0.999 3700 V HN 0.288 nan 8.190 nan 0.000 0.472 3701 H N 8.311 127.360 119.070 -0.036 0.000 3.001 3701 H HA 0.026 4.583 4.556 0.000 0.000 0.334 3701 H C -1.665 173.632 175.328 -0.051 0.000 1.034 3701 H CA -1.130 54.897 56.048 -0.034 0.000 1.420 3701 H CB 1.604 31.349 29.762 -0.028 0.000 1.405 3701 H HN 0.383 nan 8.280 nan 0.000 0.593 3702 P HA -0.187 nan 4.420 nan 0.000 0.217 3702 P C 1.414 178.739 177.300 0.041 0.000 1.148 3702 P CA 2.560 65.595 63.100 -0.109 0.000 0.834 3702 P CB 0.023 31.622 31.700 -0.168 0.000 0.783 3703 T N -4.118 110.605 114.554 0.282 0.000 3.023 3703 T HA 0.000 4.351 4.350 0.000 0.000 0.266 3703 T C 1.753 176.481 174.700 0.047 0.000 1.093 3703 T CA 0.677 62.864 62.100 0.146 0.000 1.129 3703 T CB -1.041 67.896 68.868 0.115 0.000 0.899 3703 T HN 0.059 nan 8.240 nan 0.000 0.491 3704 I N 0.812 121.417 120.570 0.058 0.000 2.333 3704 I HA -0.048 4.122 4.170 0.000 0.000 0.246 3704 I C 2.622 178.684 176.117 -0.090 0.000 1.106 3704 I CA 0.475 61.768 61.300 -0.011 0.000 1.411 3704 I CB -0.330 37.675 38.000 0.010 0.000 1.082 3704 I HN 0.093 nan 8.210 nan 0.000 0.420 3705 V N 1.270 121.095 119.914 -0.147 0.000 2.255 3705 V HA -0.250 3.870 4.120 0.000 0.000 0.247 3705 V C 2.562 178.314 176.094 -0.569 0.000 1.051 3705 V CA 2.200 64.274 62.300 -0.377 0.000 1.018 3705 V CB -0.667 30.940 31.823 -0.360 0.000 0.641 3705 V HN 0.482 nan 8.190 nan 0.000 0.445 3706 V N -1.331 118.410 119.914 -0.289 0.000 2.809 3706 V HA -0.145 3.975 4.120 0.000 0.000 0.256 3706 V C 2.237 178.307 176.094 -0.040 0.000 1.080 3706 V CA 2.139 64.360 62.300 -0.132 0.000 1.102 3706 V CB -0.759 31.051 31.823 -0.021 0.000 0.705 3706 V HN 0.554 nan 8.190 nan 0.000 0.475 3707 K N 1.304 121.670 120.400 -0.057 0.000 2.025 3707 K HA -0.001 4.319 4.320 0.000 0.000 0.207 3707 K C 2.203 178.804 176.600 0.002 0.000 1.049 3707 K CA 1.661 57.937 56.287 -0.018 0.000 0.933 3707 K CB -0.813 31.674 32.500 -0.022 0.000 0.714 3707 K HN 0.526 nan 8.250 nan 0.000 0.438 3708 G N -0.147 108.646 108.800 -0.011 0.000 2.408 3708 G HA2 -0.217 3.743 3.960 0.000 0.000 0.217 3708 G HA3 -0.217 3.743 3.960 0.000 0.000 0.217 3708 G C 1.143 176.138 174.900 0.157 0.000 1.150 3708 G CA 0.555 45.694 45.100 0.064 0.000 0.776 3708 G HN 0.251 nan 8.290 nan 0.000 0.542 3709 Y N 0.398 120.674 120.300 -0.040 0.000 2.242 3709 Y HA -0.051 4.499 4.550 -0.000 0.000 0.291 3709 Y C 2.863 178.606 175.900 -0.260 0.000 1.137 3709 Y CA 1.009 59.037 58.100 -0.121 0.000 1.181 3709 Y CB -0.865 37.657 38.460 0.104 0.000 0.989 3709 Y HN 0.273 nan 8.280 nan 0.000 0.527 3710 Q N 0.311 120.142 119.800 0.051 0.000 2.083 3710 Q HA -0.038 4.302 4.340 0.000 0.000 0.198 3710 Q C 2.365 178.325 176.000 -0.067 0.000 0.969 3710 Q CA 1.690 57.488 55.803 -0.007 0.000 0.838 3710 Q CB -0.473 28.277 28.738 0.021 0.000 0.900 3710 Q HN 0.314 nan 8.270 nan 0.000 0.436 3711 A N 0.368 123.173 122.820 -0.024 0.000 1.877 3711 A HA -0.039 4.281 4.320 0.000 0.000 0.216 3711 A C 2.289 179.843 177.584 -0.050 0.000 1.186 3711 A CA 1.981 54.042 52.037 0.041 0.000 0.620 3711 A CB -1.223 17.872 19.000 0.158 0.000 0.822 3711 A HN 0.505 nan 8.150 nan 0.000 0.443 3712 A N -0.339 122.370 122.820 -0.186 0.000 1.930 3712 A HA 0.217 4.537 4.320 0.000 0.000 0.217 3712 A C 2.461 179.668 177.584 -0.628 0.000 1.175 3712 A CA 1.924 53.708 52.037 -0.421 0.000 0.627 3712 A CB -0.890 17.731 19.000 -0.631 0.000 0.815 3712 A HN 1.025 nan 8.150 nan 0.000 0.443 3713 A N -1.129 121.253 122.820 -0.730 0.000 1.930 3713 A HA -0.141 4.179 4.320 0.000 0.000 0.217 3713 A C 2.119 179.600 177.584 -0.172 0.000 1.175 3713 A CA 1.519 53.342 52.037 -0.357 0.000 0.627 3713 A CB -0.395 18.481 19.000 -0.207 0.000 0.815 3713 A HN 0.477 nan 8.150 nan 0.000 0.443 3714 Q N -0.293 119.403 119.800 -0.172 0.000 2.084 3714 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 3714 Q C 2.053 177.956 176.000 -0.163 0.000 0.978 3714 Q CA 1.869 57.598 55.803 -0.123 0.000 0.844 3714 Q CB -0.369 28.316 28.738 -0.089 0.000 0.898 3714 Q HN 0.613 nan 8.270 nan 0.000 0.426 3715 K N 0.978 121.209 120.400 -0.280 0.000 2.097 3715 K HA 0.012 4.332 4.320 0.000 0.000 0.205 3715 K C 1.832 178.306 176.600 -0.210 0.000 1.050 3715 K CA 1.203 57.276 56.287 -0.357 0.000 0.938 3715 K CB -0.447 31.579 32.500 -0.790 0.000 0.718 3715 K HN 0.122 nan 8.250 nan 0.000 0.442 3716 A N 0.619 123.347 122.820 -0.155 0.000 1.933 3716 A HA -0.211 4.109 4.320 0.000 0.000 0.218 3716 A C 2.078 179.647 177.584 -0.026 0.000 1.175 3716 A CA 1.693 53.706 52.037 -0.040 0.000 0.628 3716 A CB -0.516 18.525 19.000 0.068 0.000 0.814 3716 A HN 0.510 nan 8.150 nan 0.000 0.444 3717 Q N -0.632 119.144 119.800 -0.039 0.000 2.079 3717 Q HA -0.190 4.150 4.340 0.000 0.000 0.200 3717 Q C 1.980 177.961 176.000 -0.031 0.000 0.974 3717 Q CA 1.604 57.392 55.803 -0.025 0.000 0.840 3717 Q CB -0.180 28.543 28.738 -0.026 0.000 0.898 3717 Q HN 0.774 nan 8.270 nan 0.000 0.430 3718 E N 0.523 120.691 120.200 -0.053 0.000 2.106 3718 E HA -0.156 4.194 4.350 0.000 0.000 0.192 3718 E C 2.045 178.623 176.600 -0.036 0.000 0.984 3718 E CA 0.737 57.108 56.400 -0.048 0.000 0.806 3718 E CB -0.025 29.633 29.700 -0.069 0.000 0.750 3718 E HN 0.307 nan 8.360 nan 0.000 0.458 3719 L N 0.567 121.765 121.223 -0.042 0.000 2.056 3719 L HA -0.191 4.149 4.340 0.000 0.000 0.207 3719 L C 2.435 179.303 176.870 -0.003 0.000 1.078 3719 L CA 0.889 55.717 54.840 -0.020 0.000 0.749 3719 L CB -0.325 41.722 42.059 -0.019 0.000 0.901 3719 L HN 0.169 nan 8.230 nan 0.000 0.433 3720 L N -0.442 120.780 121.223 -0.002 0.000 2.056 3720 L HA -0.206 4.134 4.340 0.000 0.000 0.207 3720 L C 2.597 179.469 176.870 0.003 0.000 1.078 3720 L CA 1.337 56.181 54.840 0.006 0.000 0.749 3720 L CB -0.430 41.633 42.059 0.007 0.000 0.901 3720 L HN 0.206 nan 8.230 nan 0.000 0.433 3721 K N -0.731 119.667 120.400 -0.003 0.000 2.148 3721 K HA -0.097 4.223 4.320 0.000 0.000 0.204 3721 K C 2.050 178.649 176.600 -0.002 0.000 1.050 3721 K CA 1.529 57.813 56.287 -0.003 0.000 0.942 3721 K CB -0.169 32.327 32.500 -0.007 0.000 0.724 3721 K HN 0.276 nan 8.250 nan 0.000 0.446 3722 T N 1.943 116.495 114.554 -0.003 0.000 2.777 3722 T HA -0.072 4.278 4.350 0.000 0.000 0.266 3722 T C 1.859 176.561 174.700 0.003 0.000 1.040 3722 T CA 1.261 63.360 62.100 -0.001 0.000 1.141 3722 T CB -0.127 68.740 68.868 -0.002 0.000 0.868 3722 T HN 0.385 nan 8.240 nan 0.000 0.444 3723 I N -0.325 120.250 120.570 0.008 0.000 3.578 3723 I HA 0.451 4.621 4.170 0.000 0.000 0.295 3723 I C 1.036 177.158 176.117 0.009 0.000 1.280 3723 I CA -0.554 60.753 61.300 0.011 0.000 1.347 3723 I CB -0.457 37.557 38.000 0.024 0.000 1.051 3723 I HN -0.055 nan 8.210 nan 0.000 0.460 3724 A N 1.578 124.402 122.820 0.007 0.000 2.548 3724 A HA 0.101 4.421 4.320 0.000 0.000 0.247 3724 A C 0.161 177.747 177.584 0.004 0.000 1.067 3724 A CA -0.016 52.024 52.037 0.006 0.000 0.757 3724 A CB -0.280 18.722 19.000 0.003 0.000 0.996 3724 A HN 0.642 nan 8.150 nan 0.000 0.504 3725 C N 3.611 122.913 119.300 0.004 0.000 2.265 3725 C HA 0.473 4.933 4.460 0.000 0.000 0.332 3725 C C 0.494 175.485 174.990 0.001 0.000 1.248 3725 C CA -0.585 58.434 59.018 0.002 0.000 1.727 3725 C CB -0.799 26.942 27.740 0.002 0.000 2.348 3725 C HN 0.930 nan 8.230 nan 0.000 0.519 3726 E N 3.840 124.040 120.200 -0.000 0.000 2.316 3726 E HA 0.498 4.848 4.350 0.000 0.000 0.275 3726 E C -0.294 176.305 176.600 -0.001 0.000 1.029 3726 E CA -0.200 56.200 56.400 -0.001 0.000 0.871 3726 E CB 0.859 30.559 29.700 -0.001 0.000 1.022 3726 E HN 0.727 nan 8.360 nan 0.000 0.418 3727 V N 0.974 120.887 119.914 -0.001 0.000 3.102 3727 V HA 0.733 4.853 4.120 0.000 0.000 0.312 3727 V C 0.361 176.454 176.094 -0.002 0.000 1.135 3727 V CA -0.784 61.515 62.300 -0.002 0.000 1.022 3727 V CB 1.533 33.355 31.823 -0.002 0.000 1.056 3727 V HN 0.714 nan 8.190 nan 0.000 0.436 3728 G N 0.519 109.317 108.800 -0.003 0.000 2.343 3728 G HA2 0.466 4.426 3.960 0.000 0.000 0.254 3728 G HA3 0.466 4.426 3.960 0.000 0.000 0.254 3728 G C 0.986 175.884 174.900 -0.003 0.000 1.277 3728 G CA 0.172 45.270 45.100 -0.003 0.000 0.909 3728 G HN 1.658 nan 8.290 nan 0.000 0.502 3729 A N 2.473 125.291 122.820 -0.002 0.000 1.978 3729 A HA -0.099 4.221 4.320 0.000 0.000 0.220 3729 A C 2.069 179.651 177.584 -0.003 0.000 1.170 3729 A CA 1.970 54.005 52.037 -0.002 0.000 0.636 3729 A CB -0.092 18.907 19.000 -0.002 0.000 0.810 3729 A HN 0.764 nan 8.150 nan 0.000 0.448 3730 Q N -0.226 119.573 119.800 -0.002 0.000 2.175 3730 Q HA 0.299 4.639 4.340 0.000 0.000 0.225 3730 Q C -0.412 175.586 176.000 -0.003 0.000 0.837 3730 Q CA 0.166 55.967 55.803 -0.002 0.000 1.032 3730 Q CB -0.678 28.059 28.738 -0.002 0.000 1.137 3730 Q HN 0.430 nan 8.270 nan 0.000 0.483 3731 D N 0.892 121.291 120.400 -0.003 0.000 2.346 3731 D HA 0.043 4.683 4.640 0.000 0.000 0.260 3731 D C 0.997 177.294 176.300 -0.004 0.000 1.252 3731 D CA -0.069 53.929 54.000 -0.003 0.000 0.895 3731 D CB 0.900 41.697 40.800 -0.004 0.000 1.097 3731 D HN 0.078 nan 8.370 nan 0.000 0.489 3732 K N 3.621 124.018 120.400 -0.004 0.000 2.052 3732 K HA -0.304 4.016 4.320 0.000 0.000 0.215 3732 K C 1.553 178.149 176.600 -0.006 0.000 1.053 3732 K CA 2.195 58.479 56.287 -0.005 0.000 0.934 3732 K CB -0.208 32.289 32.500 -0.004 0.000 0.717 3732 K HN 0.676 nan 8.250 nan 0.000 0.450 3733 E N -0.534 119.662 120.200 -0.007 0.000 2.021 3733 E HA -0.227 4.123 4.350 0.000 0.000 0.200 3733 E C 2.010 178.605 176.600 -0.009 0.000 1.015 3733 E CA 1.766 58.161 56.400 -0.008 0.000 0.824 3733 E CB -0.298 29.397 29.700 -0.008 0.000 0.762 3733 E HN 0.345 nan 8.360 nan 0.000 0.454 3734 I N 0.552 121.118 120.570 -0.007 0.000 2.614 3734 I HA -0.189 3.981 4.170 0.000 0.000 0.258 3734 I C 1.945 178.059 176.117 -0.006 0.000 1.189 3734 I CA 0.624 61.919 61.300 -0.007 0.000 1.462 3734 I CB -0.066 37.931 38.000 -0.005 0.000 1.092 3734 I HN 0.213 nan 8.210 nan 0.000 0.442 3735 L N 0.031 121.251 121.223 -0.006 0.000 2.093 3735 L HA -0.171 4.169 4.340 0.000 0.000 0.208 3735 L C 2.653 179.519 176.870 -0.007 0.000 1.085 3735 L CA 2.371 57.208 54.840 -0.006 0.000 0.755 3735 L CB -1.408 40.648 42.059 -0.005 0.000 0.904 3735 L HN 0.476 nan 8.230 nan 0.000 0.435 3736 T N -4.830 109.719 114.554 -0.009 0.000 3.014 3736 T HA -0.081 4.270 4.350 0.000 0.000 0.263 3736 T C 1.910 176.601 174.700 -0.014 0.000 1.078 3736 T CA 0.525 62.619 62.100 -0.011 0.000 1.135 3736 T CB -0.101 68.760 68.868 -0.012 0.000 0.895 3736 T HN 0.188 nan 8.240 nan 0.000 0.480 3737 K N 0.522 120.914 120.400 -0.014 0.000 2.062 3737 K HA 0.117 4.437 4.320 0.000 0.000 0.205 3737 K C 2.137 178.730 176.600 -0.012 0.000 1.051 3737 K CA 0.828 57.105 56.287 -0.016 0.000 0.941 3737 K CB -0.157 32.334 32.500 -0.015 0.000 0.719 3737 K HN 0.235 nan 8.250 nan 0.000 0.440 3738 I N 1.338 121.904 120.570 -0.007 0.000 2.202 3738 I HA -0.202 3.968 4.170 0.000 0.000 0.242 3738 I C 2.501 178.617 176.117 -0.002 0.000 1.091 3738 I CA 1.193 62.492 61.300 -0.003 0.000 1.368 3738 I CB -1.359 36.640 38.000 -0.002 0.000 1.058 3738 I HN 0.092 nan 8.210 nan 0.000 0.410 3739 A N 0.722 123.540 122.820 -0.004 0.000 1.865 3739 A HA -0.247 4.073 4.320 0.000 0.000 0.217 3739 A C 2.412 179.994 177.584 -0.004 0.000 1.191 3739 A CA 1.990 54.025 52.037 -0.004 0.000 0.623 3739 A CB -0.622 18.375 19.000 -0.006 0.000 0.826 3739 A HN 0.353 nan 8.150 nan 0.000 0.444 3740 M N -0.323 119.271 119.600 -0.010 0.000 2.099 3740 M HA -0.132 4.348 4.480 0.000 0.000 0.262 3740 M C 2.437 178.731 176.300 -0.011 0.000 1.067 3740 M CA 2.031 57.321 55.300 -0.016 0.000 1.124 3740 M CB -0.681 31.900 32.600 -0.032 0.000 1.353 3740 M HN 0.717 nan 8.290 nan 0.000 0.410 3741 T N -2.757 111.792 114.554 -0.008 0.000 2.867 3741 T HA -0.098 4.252 4.350 0.000 0.000 0.268 3741 T C 1.888 176.606 174.700 0.030 0.000 1.057 3741 T CA 1.641 63.747 62.100 0.009 0.000 1.136 3741 T CB -0.462 68.412 68.868 0.010 0.000 0.874 3741 T HN 0.286 nan 8.240 nan 0.000 0.466 3742 S N 0.976 116.687 115.700 0.019 0.000 2.355 3742 S HA 0.042 4.512 4.470 0.000 0.000 0.222 3742 S C 1.990 176.607 174.600 0.027 0.000 1.031 3742 S CA 0.863 59.076 58.200 0.022 0.000 0.993 3742 S CB -0.603 62.604 63.200 0.012 0.000 0.859 3742 S HN 0.589 nan 8.310 nan 0.000 0.453 3743 I N 1.717 122.301 120.570 0.022 0.000 2.361 3743 I HA -0.108 4.062 4.170 0.000 0.000 0.251 3743 I C 1.218 177.362 176.117 0.045 0.000 1.133 3743 I CA 0.872 62.187 61.300 0.025 0.000 1.413 3743 I CB -0.908 37.101 38.000 0.015 0.000 1.073 3743 I HN 0.427 nan 8.210 nan 0.000 0.424 3744 T N -0.540 114.052 114.554 0.064 0.000 2.932 3744 T HA 0.315 4.665 4.350 0.000 0.000 0.312 3744 T C 1.168 175.946 174.700 0.130 0.000 1.071 3744 T CA 0.100 62.276 62.100 0.127 0.000 1.128 3744 T CB 1.272 70.258 68.868 0.196 0.000 0.984 3744 T HN 0.604 nan 8.240 nan 0.000 0.549 3745 G N 1.325 110.210 108.800 0.143 0.000 2.176 3745 G HA2 -0.216 3.744 3.960 0.000 0.000 0.253 3745 G HA3 -0.216 3.744 3.960 0.000 0.000 0.253 3745 G C -0.040 174.886 174.900 0.043 0.000 0.979 3745 G CA 0.351 45.493 45.100 0.070 0.000 0.641 3745 G HN 0.912 nan 8.290 nan 0.000 0.530 3746 K N -0.461 119.969 120.400 0.051 0.000 2.185 3746 K HA 0.681 5.001 4.320 0.000 0.000 0.240 3746 K C 1.585 178.207 176.600 0.037 0.000 0.983 3746 K CA 0.124 56.432 56.287 0.036 0.000 0.873 3746 K CB 0.842 33.361 32.500 0.032 0.000 1.118 3746 K HN 0.195 nan 8.250 nan 0.000 0.441 3747 G N 0.199 109.016 108.800 0.029 0.000 2.432 3747 G HA2 -0.225 3.735 3.960 0.000 0.000 0.219 3747 G HA3 -0.225 3.735 3.960 0.000 0.000 0.219 3747 G C 1.177 176.095 174.900 0.029 0.000 1.135 3747 G CA 1.023 46.140 45.100 0.028 0.000 0.767 3747 G HN 0.577 nan 8.290 nan 0.000 0.550 3748 A N 0.502 123.338 122.820 0.027 0.000 2.172 3748 A HA 0.082 4.402 4.320 0.000 0.000 0.216 3748 A C 1.987 179.586 177.584 0.024 0.000 1.154 3748 A CA 1.650 53.701 52.037 0.023 0.000 0.701 3748 A CB -0.337 18.675 19.000 0.019 0.000 0.789 3748 A HN 0.507 nan 8.150 nan 0.000 0.465 3749 E N 1.190 121.411 120.200 0.034 0.000 2.171 3749 E HA -0.297 4.053 4.350 0.000 0.000 0.197 3749 E C 1.879 178.495 176.600 0.026 0.000 0.997 3749 E CA 1.667 58.089 56.400 0.037 0.000 0.810 3749 E CB -0.201 29.540 29.700 0.069 0.000 0.738 3749 E HN 0.802 nan 8.360 nan 0.000 0.467 3750 K N -0.459 119.958 120.400 0.028 0.000 2.286 3750 K HA -0.121 4.199 4.320 0.000 0.000 0.203 3750 K C 1.239 177.846 176.600 0.012 0.000 1.045 3750 K CA 1.490 57.790 56.287 0.021 0.000 0.935 3750 K CB -0.015 32.498 32.500 0.022 0.000 0.737 3750 K HN 0.104 nan 8.250 nan 0.000 0.460 3751 A N 1.806 124.632 122.820 0.011 0.000 2.606 3751 A HA 0.136 4.456 4.320 0.000 0.000 0.290 3751 A C 1.369 178.954 177.584 0.002 0.000 1.174 3751 A CA -0.543 51.497 52.037 0.006 0.000 0.958 3751 A CB -0.015 18.990 19.000 0.008 0.000 1.194 3751 A HN 0.422 nan 8.150 nan 0.000 0.526 3752 K N 0.154 120.554 120.400 0.000 0.000 2.281 3752 K HA -0.188 4.132 4.320 0.000 0.000 0.203 3752 K C 0.864 177.458 176.600 -0.010 0.000 1.046 3752 K CA 1.871 58.156 56.287 -0.004 0.000 0.938 3752 K CB -0.096 32.398 32.500 -0.009 0.000 0.737 3752 K HN 0.317 nan 8.250 nan 0.000 0.458 3753 E N 1.499 121.693 120.200 -0.011 0.000 2.047 3753 E HA -0.137 4.213 4.350 0.000 0.000 0.191 3753 E C 1.916 178.511 176.600 -0.008 0.000 0.987 3753 E CA 1.304 57.697 56.400 -0.013 0.000 0.799 3753 E CB -0.049 29.643 29.700 -0.013 0.000 0.752 3753 E HN 0.267 nan 8.360 nan 0.000 0.449 3754 K N 0.211 120.609 120.400 -0.005 0.000 2.097 3754 K HA -0.066 4.254 4.320 0.000 0.000 0.205 3754 K C 1.657 178.255 176.600 -0.003 0.000 1.050 3754 K CA 0.721 57.007 56.287 -0.003 0.000 0.938 3754 K CB -0.200 32.300 32.500 0.000 0.000 0.718 3754 K HN -0.008 nan 8.250 nan 0.000 0.442 3755 L N 0.520 121.741 121.223 -0.003 0.000 2.056 3755 L HA 0.014 4.355 4.340 0.000 0.000 0.207 3755 L C 2.284 179.151 176.870 -0.005 0.000 1.078 3755 L CA 1.976 56.814 54.840 -0.003 0.000 0.749 3755 L CB -1.183 40.876 42.059 -0.000 0.000 0.901 3755 L HN 0.269 nan 8.230 nan 0.000 0.433 3756 A N -0.973 121.844 122.820 -0.006 0.000 1.933 3756 A HA -0.258 4.062 4.320 0.000 0.000 0.218 3756 A C 2.355 179.934 177.584 -0.008 0.000 1.175 3756 A CA 1.798 53.830 52.037 -0.008 0.000 0.628 3756 A CB -0.543 18.451 19.000 -0.011 0.000 0.814 3756 A HN 0.500 nan 8.150 nan 0.000 0.444 3757 E N -0.225 119.970 120.200 -0.008 0.000 2.077 3757 E HA -0.160 4.190 4.350 0.000 0.000 0.193 3757 E C 1.875 178.470 176.600 -0.007 0.000 0.989 3757 E CA 1.231 57.627 56.400 -0.007 0.000 0.800 3757 E CB -0.215 29.481 29.700 -0.006 0.000 0.746 3757 E HN 0.663 nan 8.360 nan 0.000 0.452 3758 I N 0.342 120.907 120.570 -0.007 0.000 2.226 3758 I HA -0.265 3.905 4.170 0.000 0.000 0.245 3758 I C 2.118 178.228 176.117 -0.011 0.000 1.100 3758 I CA 0.738 62.032 61.300 -0.009 0.000 1.374 3758 I CB -0.073 37.922 38.000 -0.009 0.000 1.057 3758 I HN 0.200 nan 8.210 nan 0.000 0.413 3759 I N -0.449 120.116 120.570 -0.009 0.000 2.406 3759 I HA -0.161 4.009 4.170 0.000 0.000 0.249 3759 I C 2.295 178.407 176.117 -0.009 0.000 1.122 3759 I CA 1.074 62.369 61.300 -0.009 0.000 1.431 3759 I CB -0.304 37.692 38.000 -0.007 0.000 1.087 3759 I HN -0.072 nan 8.210 nan 0.000 0.424 3760 V N 0.229 120.139 119.914 -0.008 0.000 2.358 3760 V HA -0.245 3.875 4.120 0.000 0.000 0.246 3760 V C 2.501 178.591 176.094 -0.007 0.000 1.047 3760 V CA 1.863 64.159 62.300 -0.007 0.000 1.035 3760 V CB -0.524 31.296 31.823 -0.006 0.000 0.658 3760 V HN 0.401 nan 8.190 nan 0.000 0.452 3761 E N 0.825 121.021 120.200 -0.007 0.000 2.072 3761 E HA -0.143 4.207 4.350 0.000 0.000 0.191 3761 E C 2.133 178.727 176.600 -0.009 0.000 0.985 3761 E CA 1.597 57.992 56.400 -0.007 0.000 0.801 3761 E CB -0.462 29.233 29.700 -0.008 0.000 0.750 3761 E HN 0.489 nan 8.360 nan 0.000 0.452 3762 A N 0.077 122.890 122.820 -0.012 0.000 1.877 3762 A HA -0.145 4.175 4.320 0.000 0.000 0.216 3762 A C 2.510 180.087 177.584 -0.013 0.000 1.186 3762 A CA 1.744 53.771 52.037 -0.016 0.000 0.620 3762 A CB -0.847 18.142 19.000 -0.019 0.000 0.822 3762 A HN 0.205 nan 8.150 nan 0.000 0.443 3763 V N -0.513 119.394 119.914 -0.010 0.000 2.307 3763 V HA -0.198 3.922 4.120 0.000 0.000 0.245 3763 V C 2.816 178.907 176.094 -0.006 0.000 1.045 3763 V CA 2.274 64.569 62.300 -0.008 0.000 1.024 3763 V CB -0.717 31.102 31.823 -0.007 0.000 0.651 3763 V HN 0.667 nan 8.190 nan 0.000 0.449 3764 S N -0.094 115.604 115.700 -0.004 0.000 2.370 3764 S HA -0.208 4.262 4.470 0.000 0.000 0.226 3764 S C 2.118 176.720 174.600 0.002 0.000 1.033 3764 S CA 1.706 59.906 58.200 -0.001 0.000 1.011 3764 S CB -0.331 62.869 63.200 -0.000 0.000 0.852 3764 S HN 0.616 nan 8.310 nan 0.000 0.457 3765 A N 0.714 123.534 122.820 0.000 0.000 1.933 3765 A HA -0.006 4.314 4.320 0.000 0.000 0.218 3765 A C 2.319 179.907 177.584 0.005 0.000 1.175 3765 A CA 1.860 53.900 52.037 0.004 0.000 0.628 3765 A CB -0.787 18.211 19.000 -0.003 0.000 0.814 3765 A HN 0.987 nan 8.150 nan 0.000 0.444 3766 V N -3.842 116.071 119.914 -0.002 0.000 3.307 3766 V HA 0.090 4.210 4.120 0.000 0.000 0.253 3766 V C 1.996 178.088 176.094 -0.003 0.000 1.149 3766 V CA 1.160 63.457 62.300 -0.004 0.000 1.112 3766 V CB -0.248 31.569 31.823 -0.011 0.000 0.777 3766 V HN 0.171 nan 8.190 nan 0.000 0.464 3767 V N 0.501 120.414 119.914 -0.003 0.000 2.453 3767 V HA -0.032 4.088 4.120 0.000 0.000 0.247 3767 V C 1.627 177.719 176.094 -0.002 0.000 1.048 3767 V CA 2.519 64.817 62.300 -0.003 0.000 1.049 3767 V CB -0.276 31.544 31.823 -0.003 0.000 0.672 3767 V HN 0.810 nan 8.190 nan 0.000 0.457 3768 D N -0.616 119.785 120.400 0.001 0.000 4.438 3768 D HA -0.218 4.422 4.640 0.000 0.000 0.158 3768 D C 0.601 176.899 176.300 -0.004 0.000 0.686 3768 D CA 1.946 55.946 54.000 0.000 0.000 1.183 3768 D CB -1.304 39.494 40.800 -0.003 0.000 0.623 3768 D HN 0.574 nan 8.370 nan 0.000 0.521 3769 D N 1.462 121.858 120.400 -0.007 0.000 2.384 3769 D HA 0.262 4.902 4.640 0.000 0.000 0.244 3769 D C -0.302 175.995 176.300 -0.006 0.000 1.251 3769 D CA 0.308 54.303 54.000 -0.008 0.000 0.961 3769 D CB 0.420 41.214 40.800 -0.010 0.000 1.116 3769 D HN 0.219 nan 8.370 nan 0.000 0.484 3770 E N -0.136 120.061 120.200 -0.006 0.000 2.267 3770 E HA 0.565 4.915 4.350 0.000 0.000 0.241 3770 E C -0.262 176.335 176.600 -0.005 0.000 0.950 3770 E CA -0.657 55.740 56.400 -0.005 0.000 0.776 3770 E CB 0.780 30.477 29.700 -0.004 0.000 1.207 3770 E HN 0.497 nan 8.360 nan 0.000 0.436 3771 G N 1.738 110.535 108.800 -0.005 0.000 2.347 3771 G HA2 0.210 4.170 3.960 0.000 0.000 0.303 3771 G HA3 0.210 4.170 3.960 0.000 0.000 0.303 3771 G C -1.781 173.117 174.900 -0.004 0.000 1.481 3771 G CA -0.815 44.283 45.100 -0.005 0.000 0.914 3771 G HN 0.064 nan 8.290 nan 0.000 0.638 3772 K N 0.314 120.711 120.400 -0.005 0.000 2.550 3772 K HA 0.543 4.863 4.320 0.000 0.000 0.252 3772 K C -1.344 175.253 176.600 -0.005 0.000 0.943 3772 K CA -0.539 55.745 56.287 -0.004 0.000 0.806 3772 K CB 2.196 34.694 32.500 -0.005 0.000 1.289 3772 K HN 0.601 nan 8.250 nan 0.000 0.435 3773 V N 3.323 123.235 119.914 -0.005 0.000 2.370 3773 V HA 0.262 4.382 4.120 0.000 0.000 0.279 3773 V C -0.311 175.780 176.094 -0.006 0.000 1.029 3773 V CA -0.689 61.608 62.300 -0.005 0.000 0.870 3773 V CB 1.371 33.191 31.823 -0.005 0.000 0.984 3773 V HN 0.624 nan 8.190 nan 0.000 0.451 3774 D N 3.811 124.206 120.400 -0.007 0.000 2.453 3774 D HA 0.305 4.945 4.640 0.000 0.000 0.238 3774 D C 0.863 177.157 176.300 -0.010 0.000 1.088 3774 D CA -0.537 53.458 54.000 -0.008 0.000 0.854 3774 D CB 1.598 42.393 40.800 -0.009 0.000 1.076 3774 D HN 0.423 nan 8.370 nan 0.000 0.533 3775 K N 1.965 122.360 120.400 -0.010 0.000 2.360 3775 K HA -0.150 4.170 4.320 0.000 0.000 0.201 3775 K C 0.905 177.496 176.600 -0.014 0.000 1.046 3775 K CA 0.807 57.087 56.287 -0.011 0.000 0.945 3775 K CB 0.242 32.737 32.500 -0.009 0.000 0.750 3775 K HN 0.344 nan 8.250 nan 0.000 0.464 3776 D N 0.783 121.174 120.400 -0.014 0.000 2.310 3776 D HA -0.081 4.559 4.640 0.000 0.000 0.212 3776 D C 1.259 177.545 176.300 -0.022 0.000 0.965 3776 D CA 0.641 54.630 54.000 -0.017 0.000 0.879 3776 D CB 0.138 40.929 40.800 -0.015 0.000 0.921 3776 D HN 0.118 nan 8.370 nan 0.000 0.510 3777 L N -0.154 121.057 121.223 -0.021 0.000 2.554 3777 L HA 0.158 4.498 4.340 0.000 0.000 0.226 3777 L C 0.347 177.199 176.870 -0.029 0.000 1.137 3777 L CA 0.203 55.029 54.840 -0.024 0.000 0.863 3777 L CB 0.078 42.125 42.059 -0.019 0.000 0.985 3777 L HN 0.021 nan 8.230 nan 0.000 0.451 3778 I N 0.650 121.204 120.570 -0.028 0.000 2.390 3778 I HA 0.171 4.341 4.170 0.000 0.000 0.283 3778 I C 0.108 176.204 176.117 -0.035 0.000 1.016 3778 I CA -0.347 60.934 61.300 -0.032 0.000 1.151 3778 I CB 1.417 39.401 38.000 -0.025 0.000 1.293 3778 I HN -0.033 nan 8.210 nan 0.000 0.458 3779 K N 6.815 127.187 120.400 -0.046 0.000 2.276 3779 K HA 0.400 4.720 4.320 0.000 0.000 0.283 3779 K C -0.645 175.925 176.600 -0.049 0.000 1.044 3779 K CA -0.516 55.741 56.287 -0.049 0.000 0.944 3779 K CB 0.875 33.337 32.500 -0.064 0.000 1.012 3779 K HN 0.456 nan 8.250 nan 0.000 0.472 3780 I N 4.325 124.872 120.570 -0.039 0.000 2.307 3780 I HA 0.155 4.325 4.170 0.000 0.000 0.287 3780 I C -0.138 175.959 176.117 -0.033 0.000 1.054 3780 I CA -0.550 60.730 61.300 -0.034 0.000 1.218 3780 I CB 0.683 38.669 38.000 -0.024 0.000 1.398 3780 I HN 0.674 nan 8.210 nan 0.000 0.475 3781 E N 7.301 127.477 120.200 -0.040 0.000 2.216 3781 E HA 0.473 4.823 4.350 0.000 0.000 0.279 3781 E C -0.733 175.857 176.600 -0.016 0.000 0.997 3781 E CA -0.589 55.793 56.400 -0.030 0.000 0.817 3781 E CB 1.046 30.718 29.700 -0.046 0.000 1.096 3781 E HN 0.542 nan 8.360 nan 0.000 0.393 3782 K N 2.885 123.281 120.400 -0.007 0.000 2.541 3782 K HA 0.562 4.882 4.320 0.000 0.000 0.250 3782 K C -1.029 175.574 176.600 0.005 0.000 0.950 3782 K CA -1.086 55.200 56.287 -0.002 0.000 0.805 3782 K CB 1.509 34.003 32.500 -0.010 0.000 1.166 3782 K HN 0.092 nan 8.250 nan 0.000 0.430 3783 K N 2.043 122.452 120.400 0.015 0.000 2.578 3783 K HA 0.197 4.517 4.320 0.000 0.000 0.250 3783 K C -0.894 175.717 176.600 0.019 0.000 0.955 3783 K CA -0.652 55.648 56.287 0.022 0.000 0.825 3783 K CB 2.045 34.570 32.500 0.042 0.000 1.151 3783 K HN 0.776 nan 8.250 nan 0.000 0.432 3784 S N 1.278 116.986 115.700 0.012 0.000 2.568 3784 S HA 0.504 4.974 4.470 0.000 0.000 0.282 3784 S C 0.357 174.969 174.600 0.019 0.000 1.338 3784 S CA 1.268 59.477 58.200 0.014 0.000 1.045 3784 S CB 0.152 63.359 63.200 0.011 0.000 0.873 3784 S HN 0.873 nan 8.310 nan 0.000 0.516 3785 G N 1.673 110.485 108.800 0.020 0.000 2.465 3785 G HA2 0.509 4.469 3.960 0.000 0.000 0.681 3785 G HA3 0.509 4.469 3.960 0.000 0.000 0.681 3785 G C -0.085 174.828 174.900 0.021 0.000 1.340 3785 G CA -0.050 45.062 45.100 0.020 0.000 0.884 3785 G HN 2.157 nan 8.290 nan 0.000 0.650 3786 A N -0.571 122.261 122.820 0.019 0.000 6.088 3786 A HA 0.393 4.713 4.320 0.000 0.000 0.261 3786 A C 1.121 178.716 177.584 0.018 0.000 2.138 3786 A CA 1.933 53.981 52.037 0.018 0.000 0.708 3786 A CB -1.620 17.393 19.000 0.022 0.000 1.068 3786 A HN 2.722 nan 8.150 nan 0.000 0.364 3787 S N -2.789 112.921 115.700 0.018 0.000 2.811 3787 S HA 0.703 5.173 4.470 0.000 0.000 0.311 3787 S C 1.121 175.732 174.600 0.018 0.000 1.152 3787 S CA 0.148 58.358 58.200 0.017 0.000 0.864 3787 S CB 1.307 64.516 63.200 0.015 0.000 1.226 3787 S HN 1.563 nan 8.310 nan 0.000 0.541 3788 I N 1.303 121.882 120.570 0.016 0.000 2.614 3788 I HA -0.093 4.078 4.170 0.000 0.000 0.258 3788 I C 0.874 176.999 176.117 0.014 0.000 1.189 3788 I CA 1.272 62.581 61.300 0.015 0.000 1.462 3788 I CB -0.086 37.923 38.000 0.015 0.000 1.092 3788 I HN 0.584 nan 8.210 nan 0.000 0.442 3789 D N 1.026 121.434 120.400 0.013 0.000 2.178 3789 D HA -0.180 4.460 4.640 0.000 0.000 0.201 3789 D C 1.436 177.744 176.300 0.014 0.000 0.980 3789 D CA 1.302 55.309 54.000 0.012 0.000 0.842 3789 D CB -0.247 40.560 40.800 0.011 0.000 0.948 3789 D HN 0.480 nan 8.370 nan 0.000 0.472 3790 D N -0.522 119.888 120.400 0.017 0.000 2.347 3790 D HA -0.022 4.618 4.640 0.000 0.000 0.215 3790 D C 0.264 176.579 176.300 0.025 0.000 0.976 3790 D CA 0.453 54.466 54.000 0.022 0.000 0.884 3790 D CB -0.002 40.813 40.800 0.025 0.000 0.915 3790 D HN -0.027 nan 8.370 nan 0.000 0.526 3791 T N 1.098 115.664 114.554 0.019 0.000 2.933 3791 T HA 0.170 4.520 4.350 0.000 0.000 0.306 3791 T C 0.122 174.829 174.700 0.012 0.000 1.045 3791 T CA 0.524 62.633 62.100 0.015 0.000 1.143 3791 T CB 0.654 69.528 68.868 0.010 0.000 1.003 3791 T HN 0.038 nan 8.240 nan 0.000 0.540 3792 E N 1.795 122.000 120.200 0.009 0.000 2.390 3792 E HA 0.521 4.871 4.350 0.000 0.000 0.280 3792 E C -1.948 174.644 176.600 -0.013 0.000 0.992 3792 E CA -0.800 55.602 56.400 0.004 0.000 0.790 3792 E CB 1.039 30.750 29.700 0.019 0.000 1.248 3792 E HN 0.349 nan 8.360 nan 0.000 0.447 3793 L N 3.626 124.839 121.223 -0.017 0.000 2.292 3793 L HA 0.599 4.939 4.340 0.000 0.000 0.284 3793 L C -1.141 175.705 176.870 -0.040 0.000 1.065 3793 L CA -0.218 54.603 54.840 -0.033 0.000 0.806 3793 L CB 0.832 42.876 42.059 -0.026 0.000 1.175 3793 L HN 0.577 nan 8.230 nan 0.000 0.431 3794 I N 5.556 126.083 120.570 -0.071 0.000 2.382 3794 I HA 0.304 4.474 4.170 0.000 0.000 0.285 3794 I C -0.133 175.937 176.117 -0.078 0.000 1.007 3794 I CA -0.492 60.758 61.300 -0.083 0.000 1.142 3794 I CB 1.184 39.083 38.000 -0.168 0.000 1.289 3794 I HN 0.315 nan 8.210 nan 0.000 0.453 3795 K N 5.805 126.175 120.400 -0.049 0.000 2.081 3795 K HA 0.516 4.836 4.320 0.000 0.000 0.230 3795 K C 0.459 177.030 176.600 -0.048 0.000 1.199 3795 K CA -0.049 56.212 56.287 -0.044 0.000 1.130 3795 K CB -0.210 32.271 32.500 -0.032 0.000 1.386 3795 K HN 0.968 nan 8.250 nan 0.000 0.280 3796 G N -0.694 108.065 108.800 -0.068 0.000 2.455 3796 G HA2 0.121 4.081 3.960 0.000 0.000 0.223 3796 G HA3 0.121 4.081 3.960 0.000 0.000 0.223 3796 G C -1.637 173.197 174.900 -0.110 0.000 1.226 3796 G CA -0.720 44.337 45.100 -0.072 0.000 0.948 3796 G HN 0.086 nan 8.290 nan 0.000 0.478 3797 V N 0.445 120.284 119.914 -0.125 0.000 2.588 3797 V HA 0.636 4.756 4.120 0.000 0.000 0.304 3797 V C -0.806 175.174 176.094 -0.189 0.000 1.042 3797 V CA -0.626 61.581 62.300 -0.154 0.000 0.877 3797 V CB 1.560 33.291 31.823 -0.153 0.000 0.996 3797 V HN 0.608 nan 8.190 nan 0.000 0.425 3798 L N 5.211 126.289 121.223 -0.242 0.000 2.255 3798 L HA 0.490 4.830 4.340 0.000 0.000 0.289 3798 L C -0.091 176.733 176.870 -0.077 0.000 1.046 3798 L CA 0.165 54.839 54.840 -0.277 0.000 0.816 3798 L CB 1.473 43.244 42.059 -0.480 0.000 1.197 3798 L HN 0.438 nan 8.230 nan 0.000 0.427 3799 V N 2.685 122.622 119.914 0.038 0.000 2.394 3799 V HA 0.236 4.356 4.120 0.000 0.000 0.282 3799 V C 0.121 176.294 176.094 0.133 0.000 1.031 3799 V CA -0.784 61.556 62.300 0.066 0.000 0.881 3799 V CB 1.568 33.448 31.823 0.095 0.000 0.982 3799 V HN 0.781 nan 8.190 nan 0.000 0.451 3800 D N 3.774 124.229 120.400 0.091 0.000 3.085 3800 D HA 0.175 4.815 4.640 0.000 0.000 0.243 3800 D C 0.118 176.472 176.300 0.090 0.000 1.232 3800 D CA -0.255 53.801 54.000 0.092 0.000 0.913 3800 D CB 0.136 40.972 40.800 0.060 0.000 1.108 3800 D HN 0.269 nan 8.370 nan 0.000 0.468 3801 K N 0.457 120.927 120.400 0.117 0.000 2.409 3801 K HA 0.421 4.741 4.320 0.000 0.000 0.252 3801 K C 0.352 177.008 176.600 0.093 0.000 1.036 3801 K CA -0.651 55.700 56.287 0.107 0.000 0.871 3801 K CB 2.262 34.849 32.500 0.146 0.000 1.374 3801 K HN 0.308 nan 8.250 nan 0.000 0.459 3802 E N 0.734 120.971 120.200 0.062 0.000 2.378 3802 E HA 0.394 4.744 4.350 0.000 0.000 0.265 3802 E C -0.684 175.924 176.600 0.014 0.000 0.932 3802 E CA -0.906 55.515 56.400 0.035 0.000 0.795 3802 E CB 1.245 30.958 29.700 0.021 0.000 1.296 3802 E HN 0.218 nan 8.360 nan 0.000 0.438 3803 R N 1.245 121.744 120.500 -0.002 0.000 2.296 3803 R HA 0.108 4.448 4.340 0.000 0.000 0.323 3803 R C 1.362 177.653 176.300 -0.015 0.000 1.067 3803 R CA 0.223 56.310 56.100 -0.022 0.000 0.946 3803 R CB 0.462 30.748 30.300 -0.024 0.000 0.991 3803 R HN 0.559 nan 8.270 nan 0.000 0.448 3804 V N -0.042 119.859 119.914 -0.022 0.000 2.720 3804 V HA -0.075 4.045 4.120 0.000 0.000 0.256 3804 V C 0.905 177.000 176.094 0.002 0.000 1.082 3804 V CA 1.080 63.373 62.300 -0.011 0.000 1.101 3804 V CB -0.224 31.588 31.823 -0.019 0.000 0.693 3804 V HN 0.524 nan 8.190 nan 0.000 0.479 3805 S N -1.004 114.696 115.700 0.000 0.000 2.526 3805 S HA 0.774 5.244 4.470 0.000 0.000 0.293 3805 S C 0.844 175.444 174.600 -0.000 0.000 1.092 3805 S CA -0.121 58.087 58.200 0.012 0.000 0.980 3805 S CB 1.874 65.089 63.200 0.026 0.000 1.048 3805 S HN 0.711 nan 8.310 nan 0.000 0.483 3806 A N 3.263 126.082 122.820 -0.001 0.000 2.070 3806 A HA -0.043 4.277 4.320 0.000 0.000 0.220 3806 A C 1.777 179.353 177.584 -0.013 0.000 1.159 3806 A CA 1.259 53.290 52.037 -0.009 0.000 0.656 3806 A CB -0.477 18.516 19.000 -0.012 0.000 0.800 3806 A HN 0.899 nan 8.150 nan 0.000 0.453 3807 Q N -1.031 118.762 119.800 -0.012 0.000 2.424 3807 Q HA 0.196 4.536 4.340 0.000 0.000 0.204 3807 Q C 0.213 176.207 176.000 -0.010 0.000 0.933 3807 Q CA -0.020 55.774 55.803 -0.014 0.000 0.929 3807 Q CB 0.028 28.755 28.738 -0.018 0.000 1.037 3807 Q HN 0.657 nan 8.270 nan 0.000 0.511 3808 M N 1.514 121.108 119.600 -0.010 0.000 2.250 3808 M HA 0.223 4.703 4.480 0.000 0.000 0.344 3808 M C -2.138 174.153 176.300 -0.014 0.000 1.150 3808 M CA -2.023 53.269 55.300 -0.013 0.000 1.147 3808 M CB 0.390 32.978 32.600 -0.020 0.000 1.498 3808 M HN -0.192 nan 8.290 nan 0.000 0.461 3809 P HA -0.020 nan 4.420 nan 0.000 0.269 3809 P C -0.157 177.135 177.300 -0.014 0.000 1.211 3809 P CA 0.054 63.147 63.100 -0.012 0.000 0.781 3809 P CB 0.489 32.184 31.700 -0.009 0.000 0.877 3810 K N 1.031 121.423 120.400 -0.013 0.000 2.379 3810 K HA 0.056 4.376 4.320 0.000 0.000 0.194 3810 K C 0.486 177.079 176.600 -0.012 0.000 1.031 3810 K CA 0.808 57.086 56.287 -0.016 0.000 1.037 3810 K CB 0.143 32.631 32.500 -0.019 0.000 0.824 3810 K HN 0.577 nan 8.250 nan 0.000 0.516 3811 K N -0.780 119.617 120.400 -0.005 0.000 2.557 3811 K HA 0.381 4.701 4.320 0.000 0.000 0.257 3811 K C -1.260 175.345 176.600 0.008 0.000 0.933 3811 K CA -0.733 55.556 56.287 0.005 0.000 0.820 3811 K CB 1.986 34.487 32.500 0.002 0.000 1.330 3811 K HN -0.285 nan 8.250 nan 0.000 0.432 3812 V N 2.044 121.969 119.914 0.018 0.000 2.483 3812 V HA 0.429 4.549 4.120 0.000 0.000 0.297 3812 V C -0.283 175.828 176.094 0.027 0.000 1.027 3812 V CA -0.527 61.784 62.300 0.019 0.000 0.855 3812 V CB 1.837 33.670 31.823 0.017 0.000 0.995 3812 V HN 0.998 nan 8.190 nan 0.000 0.424 3813 T N 0.078 114.645 114.554 0.021 0.000 2.929 3813 T HA 0.541 4.891 4.350 0.000 0.000 0.284 3813 T C 0.125 174.838 174.700 0.021 0.000 1.014 3813 T CA -0.276 61.837 62.100 0.022 0.000 1.051 3813 T CB 1.296 70.174 68.868 0.016 0.000 1.028 3813 T HN 0.769 nan 8.240 nan 0.000 0.485 3814 D N 0.337 120.750 120.400 0.022 0.000 2.689 3814 D HA -0.153 4.487 4.640 0.000 0.000 0.237 3814 D C 0.301 176.616 176.300 0.026 0.000 1.148 3814 D CA 0.840 54.852 54.000 0.020 0.000 0.656 3814 D CB -1.252 39.557 40.800 0.015 0.000 1.050 3814 D HN 1.103 nan 8.370 nan 0.000 0.426 3815 A N 1.410 124.251 122.820 0.035 0.000 2.477 3815 A HA 0.376 4.696 4.320 0.000 0.000 0.246 3815 A C 0.542 178.154 177.584 0.046 0.000 1.078 3815 A CA 0.146 52.209 52.037 0.044 0.000 0.770 3815 A CB 0.594 19.633 19.000 0.064 0.000 1.011 3815 A HN 0.156 nan 8.150 nan 0.000 0.494 3816 K N 3.181 123.607 120.400 0.043 0.000 2.347 3816 K HA 0.400 4.720 4.320 0.000 0.000 0.262 3816 K C -0.940 175.695 176.600 0.058 0.000 1.052 3816 K CA 0.157 56.471 56.287 0.044 0.000 0.946 3816 K CB 0.927 33.446 32.500 0.031 0.000 1.220 3816 K HN 0.638 nan 8.250 nan 0.000 0.450 3817 I N 2.031 122.651 120.570 0.083 0.000 2.353 3817 I HA 0.287 4.457 4.170 0.000 0.000 0.293 3817 I C 0.273 176.458 176.117 0.114 0.000 0.992 3817 I CA -0.658 60.722 61.300 0.133 0.000 1.268 3817 I CB 1.590 39.710 38.000 0.199 0.000 1.387 3817 I HN 0.433 nan 8.210 nan 0.000 0.478 3818 A N 7.672 130.564 122.820 0.119 0.000 2.337 3818 A HA 0.840 5.160 4.320 0.000 0.000 0.329 3818 A C -0.779 176.891 177.584 0.143 0.000 1.146 3818 A CA -0.545 51.550 52.037 0.097 0.000 0.800 3818 A CB 0.933 19.968 19.000 0.057 0.000 1.220 3818 A HN 0.703 nan 8.150 nan 0.000 0.472 3819 L N 3.154 124.441 121.223 0.107 0.000 2.345 3819 L HA 0.419 4.759 4.340 0.000 0.000 0.274 3819 L C -0.980 175.933 176.870 0.072 0.000 0.999 3819 L CA -0.090 54.815 54.840 0.108 0.000 0.849 3819 L CB 1.024 43.129 42.059 0.075 0.000 1.220 3819 L HN 0.564 nan 8.230 nan 0.000 0.422 3820 L N 3.353 124.621 121.223 0.075 0.000 2.307 3820 L HA 0.381 4.721 4.340 0.000 0.000 0.284 3820 L C 0.722 177.621 176.870 0.049 0.000 1.023 3820 L CA -0.502 54.368 54.840 0.051 0.000 0.810 3820 L CB 1.759 43.844 42.059 0.043 0.000 1.231 3820 L HN 0.623 nan 8.230 nan 0.000 0.423 3821 N N 0.749 119.470 118.700 0.035 0.000 2.322 3821 N HA -0.021 4.719 4.740 0.000 0.000 0.181 3821 N C 0.444 175.969 175.510 0.025 0.000 1.088 3821 N CA -0.277 52.791 53.050 0.030 0.000 0.885 3821 N CB -0.304 38.196 38.487 0.023 0.000 1.013 3821 N HN 0.586 nan 8.380 nan 0.000 0.472 3822 C N 0.241 119.554 119.300 0.022 0.000 2.595 3822 C HA 0.849 5.309 4.460 0.000 0.000 0.384 3822 C C 0.949 175.950 174.990 0.019 0.000 1.289 3822 C CA -1.450 57.578 59.018 0.018 0.000 2.372 3822 C CB -0.178 27.571 27.740 0.015 0.000 2.593 3822 C HN 0.479 nan 8.230 nan 0.000 0.639 3823 A N 2.431 125.260 122.820 0.015 0.000 2.401 3823 A HA 0.596 4.916 4.320 0.000 0.000 0.259 3823 A C 0.041 177.632 177.584 0.012 0.000 1.103 3823 A CA -0.515 51.530 52.037 0.014 0.000 0.789 3823 A CB -0.162 18.844 19.000 0.011 0.000 1.035 3823 A HN 0.879 nan 8.150 nan 0.000 0.491 3824 I N 2.837 123.413 120.570 0.011 0.000 2.317 3824 I HA 0.265 4.435 4.170 0.000 0.000 0.286 3824 I C -0.283 175.839 176.117 0.009 0.000 1.119 3824 I CA -0.061 61.246 61.300 0.011 0.000 1.228 3824 I CB -0.213 37.794 38.000 0.011 0.000 1.476 3824 I HN 0.828 nan 8.210 nan 0.000 0.514 3825 E N 3.904 124.110 120.200 0.010 0.000 2.445 3825 E HA 0.544 4.894 4.350 0.000 0.000 0.273 3825 E C -0.693 175.916 176.600 0.016 0.000 0.961 3825 E CA -1.045 55.361 56.400 0.010 0.000 0.807 3825 E CB 1.126 30.829 29.700 0.004 0.000 1.362 3825 E HN 0.094 nan 8.360 nan 0.000 0.453 3826 I N 1.465 122.047 120.570 0.020 0.000 2.573 3826 I HA 0.071 4.241 4.170 0.000 0.000 0.295 3826 I C 0.208 176.337 176.117 0.019 0.000 1.141 3826 I CA 0.113 61.428 61.300 0.025 0.000 1.364 3826 I CB -0.731 37.288 38.000 0.032 0.000 1.447 3826 I HN 0.375 nan 8.210 nan 0.000 0.571 3827 K N 7.159 127.569 120.400 0.017 0.000 2.412 3827 K HA 0.143 4.463 4.320 0.000 0.000 0.281 3827 K C -0.034 176.576 176.600 0.017 0.000 1.027 3827 K CA 0.049 56.344 56.287 0.014 0.000 0.989 3827 K CB 0.407 32.914 32.500 0.012 0.000 0.935 3827 K HN 0.688 nan 8.250 nan 0.000 0.475 3828 E N 1.643 121.851 120.200 0.013 0.000 2.227 3828 E HA 0.251 4.601 4.350 0.000 0.000 0.268 3828 E C -0.746 175.860 176.600 0.010 0.000 0.907 3828 E CA -1.110 55.298 56.400 0.013 0.000 0.786 3828 E CB 1.371 31.076 29.700 0.008 0.000 1.191 3828 E HN 0.487 nan 8.360 nan 0.000 0.411 3829 T N 1.060 115.621 114.554 0.011 0.000 2.906 3829 T HA -0.038 4.312 4.350 0.000 0.000 0.320 3829 T C 0.730 175.433 174.700 0.006 0.000 1.088 3829 T CA 0.145 62.250 62.100 0.009 0.000 1.120 3829 T CB 0.513 69.387 68.868 0.011 0.000 1.000 3829 T HN 0.589 nan 8.240 nan 0.000 0.550 3830 E N 1.373 121.577 120.200 0.006 0.000 2.153 3830 E HA 0.020 4.370 4.350 0.000 0.000 0.194 3830 E C 1.270 177.872 176.600 0.003 0.000 0.988 3830 E CA 1.276 57.679 56.400 0.004 0.000 0.811 3830 E CB -0.333 29.369 29.700 0.004 0.000 0.746 3830 E HN 0.868 nan 8.360 nan 0.000 0.466 3831 T N -0.711 113.845 114.554 0.003 0.000 2.868 3831 T HA 0.095 4.445 4.350 0.000 0.000 0.292 3831 T C 0.206 174.906 174.700 0.000 0.000 1.028 3831 T CA -0.916 61.186 62.100 0.002 0.000 1.059 3831 T CB 1.074 69.944 68.868 0.004 0.000 0.991 3831 T HN -0.174 nan 8.240 nan 0.000 0.531 3832 D N 1.067 121.466 120.400 -0.001 0.000 2.382 3832 D HA 0.431 5.071 4.640 0.000 0.000 0.259 3832 D C -0.345 175.951 176.300 -0.005 0.000 1.224 3832 D CA 0.175 54.172 54.000 -0.004 0.000 0.894 3832 D CB -0.149 40.648 40.800 -0.005 0.000 1.127 3832 D HN 0.938 nan 8.370 nan 0.000 0.487 3833 A N 3.704 126.519 122.820 -0.009 0.000 2.587 3833 A HA 0.724 5.044 4.320 0.000 0.000 0.293 3833 A C -1.061 176.508 177.584 -0.026 0.000 1.087 3833 A CA -0.802 51.227 52.037 -0.012 0.000 0.692 3833 A CB 1.498 20.495 19.000 -0.003 0.000 1.291 3833 A HN 0.614 nan 8.150 nan 0.000 0.407 3834 E N 0.492 120.668 120.200 -0.040 0.000 2.392 3834 E HA 0.592 4.942 4.350 0.000 0.000 0.279 3834 E C -1.597 174.932 176.600 -0.118 0.000 0.964 3834 E CA -0.913 55.444 56.400 -0.072 0.000 0.777 3834 E CB 1.086 30.747 29.700 -0.065 0.000 1.249 3834 E HN 0.317 nan 8.360 nan 0.000 0.449 3835 I N 1.798 122.244 120.570 -0.207 0.000 2.556 3835 I HA 0.100 4.270 4.170 0.000 0.000 0.284 3835 I C 0.175 176.088 176.117 -0.339 0.000 1.114 3835 I CA 0.003 61.048 61.300 -0.425 0.000 1.418 3835 I CB 0.287 37.857 38.000 -0.717 0.000 1.394 3835 I HN 0.343 nan 8.210 nan 0.000 0.552 3836 R N 7.058 127.389 120.500 -0.282 0.000 2.332 3836 R HA 0.380 4.721 4.340 0.000 0.000 0.306 3836 R C -0.674 175.592 176.300 -0.056 0.000 1.117 3836 R CA -0.861 55.168 56.100 -0.118 0.000 1.108 3836 R CB 0.381 30.665 30.300 -0.027 0.000 1.126 3836 R HN 0.418 nan 8.270 nan 0.000 0.548 3837 I N 2.692 123.214 120.570 -0.079 0.000 2.648 3837 I HA -0.050 4.120 4.170 0.000 0.000 0.284 3837 I C 1.707 177.867 176.117 0.071 0.000 1.153 3837 I CA 0.790 62.113 61.300 0.038 0.000 1.426 3837 I CB 0.638 38.643 38.000 0.008 0.000 1.381 3837 I HN 0.536 nan 8.210 nan 0.000 0.571 3838 T N -0.118 114.506 114.554 0.116 0.000 2.975 3838 T HA 0.218 4.568 4.350 0.000 0.000 0.261 3838 T C 0.241 174.978 174.700 0.062 0.000 0.984 3838 T CA -0.232 61.915 62.100 0.078 0.000 0.911 3838 T CB 0.747 69.664 68.868 0.081 0.000 1.127 3838 T HN 0.616 nan 8.240 nan 0.000 0.514 3839 D N 0.462 120.906 120.400 0.074 0.000 2.769 3839 D HA 0.275 4.915 4.640 0.000 0.000 0.219 3839 D C -2.560 173.776 176.300 0.059 0.000 1.245 3839 D CA -1.477 52.555 54.000 0.053 0.000 0.801 3839 D CB 2.539 43.364 40.800 0.041 0.000 1.598 3839 D HN -0.325 nan 8.370 nan 0.000 0.485 3840 P HA -0.135 nan 4.420 nan 0.000 0.218 3840 P C 0.949 178.275 177.300 0.043 0.000 1.146 3840 P CA 1.610 64.733 63.100 0.040 0.000 0.820 3840 P CB 0.303 32.019 31.700 0.027 0.000 0.778 3841 A N -0.626 122.216 122.820 0.037 0.000 1.873 3841 A HA -0.181 4.139 4.320 0.000 0.000 0.215 3841 A C 2.128 179.736 177.584 0.039 0.000 1.186 3841 A CA 1.722 53.776 52.037 0.029 0.000 0.616 3841 A CB -0.937 18.071 19.000 0.014 0.000 0.823 3841 A HN 0.027 nan 8.150 nan 0.000 0.442 3842 K N -0.523 119.912 120.400 0.059 0.000 2.152 3842 K HA -0.077 4.243 4.320 0.000 0.000 0.206 3842 K C 1.700 178.448 176.600 0.247 0.000 1.048 3842 K CA 0.961 57.306 56.287 0.097 0.000 0.933 3842 K CB -0.520 32.074 32.500 0.156 0.000 0.721 3842 K HN 0.397 nan 8.250 nan 0.000 0.447 3843 L N 0.167 121.507 121.223 0.195 0.000 2.043 3843 L HA -0.200 4.140 4.340 0.000 0.000 0.212 3843 L C 1.749 178.718 176.870 0.165 0.000 1.075 3843 L CA 1.824 56.772 54.840 0.179 0.000 0.752 3843 L CB -0.263 41.851 42.059 0.092 0.000 0.891 3843 L HN 0.215 nan 8.230 nan 0.000 0.432 3844 M N -1.291 118.374 119.600 0.108 0.000 2.236 3844 M HA -0.110 4.370 4.480 0.000 0.000 0.266 3844 M C 2.211 178.547 176.300 0.061 0.000 1.070 3844 M CA 1.275 56.620 55.300 0.074 0.000 1.137 3844 M CB -1.090 31.536 32.600 0.044 0.000 1.378 3844 M HN 0.395 nan 8.290 nan 0.000 0.426 3845 E N 0.068 120.284 120.200 0.026 0.000 2.085 3845 E HA -0.189 4.161 4.350 0.000 0.000 0.194 3845 E C 1.899 178.445 176.600 -0.090 0.000 0.994 3845 E CA 1.280 57.639 56.400 -0.068 0.000 0.801 3845 E CB -0.039 29.563 29.700 -0.164 0.000 0.743 3845 E HN 0.384 nan 8.360 nan 0.000 0.453 3846 F N 0.494 120.449 119.950 0.010 0.000 2.134 3846 F HA -0.140 4.387 4.527 0.000 0.000 0.299 3846 F C 2.212 178.020 175.800 0.014 0.000 1.097 3846 F CA 0.932 58.938 58.000 0.010 0.000 1.264 3846 F CB -0.067 38.938 39.000 0.009 0.000 1.001 3846 F HN 0.055 nan 8.300 nan 0.000 0.479 3847 I N -0.319 120.374 120.570 0.205 0.000 2.226 3847 I HA -0.232 3.938 4.170 0.000 0.000 0.245 3847 I C 2.254 178.427 176.117 0.093 0.000 1.100 3847 I CA 1.141 62.517 61.300 0.127 0.000 1.374 3847 I CB -0.371 37.687 38.000 0.096 0.000 1.057 3847 I HN 0.095 nan 8.210 nan 0.000 0.413 3848 E N 0.279 120.520 120.200 0.069 0.000 2.150 3848 E HA -0.257 4.093 4.350 0.000 0.000 0.193 3848 E C 2.018 178.636 176.600 0.030 0.000 0.985 3848 E CA 0.974 57.401 56.400 0.045 0.000 0.814 3848 E CB -0.201 29.513 29.700 0.023 0.000 0.752 3848 E HN 0.433 nan 8.360 nan 0.000 0.466 3849 Q N 1.202 121.012 119.800 0.017 0.000 2.084 3849 Q HA -0.153 4.187 4.340 0.000 0.000 0.202 3849 Q C 1.826 177.844 176.000 0.029 0.000 0.978 3849 Q CA 1.358 57.160 55.803 -0.002 0.000 0.844 3849 Q CB 0.039 28.752 28.738 -0.041 0.000 0.898 3849 Q HN 0.095 nan 8.270 nan 0.000 0.426 3850 E N 0.218 120.458 120.200 0.067 0.000 2.150 3850 E HA -0.149 4.201 4.350 0.000 0.000 0.193 3850 E C 1.823 178.462 176.600 0.065 0.000 0.985 3850 E CA 0.883 57.325 56.400 0.070 0.000 0.814 3850 E CB 0.001 29.754 29.700 0.089 0.000 0.752 3850 E HN 0.487 nan 8.360 nan 0.000 0.466 3851 E N 0.924 121.173 120.200 0.082 0.000 2.072 3851 E HA -0.162 4.188 4.350 0.000 0.000 0.191 3851 E C 2.024 178.635 176.600 0.018 0.000 0.985 3851 E CA 0.738 57.213 56.400 0.125 0.000 0.801 3851 E CB -0.147 29.645 29.700 0.153 0.000 0.750 3851 E HN 0.222 nan 8.360 nan 0.000 0.452 3852 K N 0.506 120.897 120.400 -0.014 0.000 2.057 3852 K HA -0.092 4.228 4.320 0.000 0.000 0.207 3852 K C 2.282 178.821 176.600 -0.102 0.000 1.049 3852 K CA 1.073 57.316 56.287 -0.072 0.000 0.931 3852 K CB -0.043 32.431 32.500 -0.042 0.000 0.714 3852 K HN 0.014 nan 8.250 nan 0.000 0.440 3853 M N 0.428 119.995 119.600 -0.055 0.000 2.065 3853 M HA -0.212 4.268 4.480 0.000 0.000 0.259 3853 M C 2.214 178.467 176.300 -0.079 0.000 1.069 3853 M CA 1.388 56.660 55.300 -0.048 0.000 1.110 3853 M CB -0.301 32.294 32.600 -0.009 0.000 1.328 3853 M HN 0.191 nan 8.290 nan 0.000 0.405 3854 L N 0.226 121.400 121.223 -0.082 0.000 2.109 3854 L HA -0.096 4.245 4.340 0.000 0.000 0.207 3854 L C 2.279 178.971 176.870 -0.296 0.000 1.086 3854 L CA 1.783 56.572 54.840 -0.085 0.000 0.760 3854 L CB -0.619 41.475 42.059 0.058 0.000 0.910 3854 L HN 0.173 nan 8.230 nan 0.000 0.437 3855 K N -0.666 119.351 120.400 -0.638 0.000 2.063 3855 K HA -0.204 4.116 4.320 0.000 0.000 0.208 3855 K C 1.590 177.958 176.600 -0.386 0.000 1.048 3855 K CA 1.819 57.546 56.287 -0.934 0.000 0.928 3855 K CB -0.060 31.909 32.500 -0.886 0.000 0.713 3855 K HN 0.336 nan 8.250 nan 0.000 0.442 3856 D N 0.367 120.625 120.400 -0.237 0.000 2.144 3856 D HA -0.128 4.512 4.640 0.000 0.000 0.200 3856 D C 1.906 178.148 176.300 -0.096 0.000 0.978 3856 D CA 1.110 55.031 54.000 -0.132 0.000 0.833 3856 D CB -0.048 40.697 40.800 -0.092 0.000 0.961 3856 D HN 0.295 nan 8.370 nan 0.000 0.470 3857 M N 0.032 119.575 119.600 -0.093 0.000 2.080 3857 M HA -0.155 4.325 4.480 0.000 0.000 0.260 3857 M C 2.274 178.550 176.300 -0.040 0.000 1.068 3857 M CA 1.079 56.347 55.300 -0.053 0.000 1.109 3857 M CB -0.211 32.366 32.600 -0.038 0.000 1.342 3857 M HN -0.103 nan 8.290 nan 0.000 0.405 3858 V N 0.191 120.073 119.914 -0.054 0.000 2.427 3858 V HA -0.199 3.921 4.120 0.000 0.000 0.248 3858 V C 2.590 178.670 176.094 -0.022 0.000 1.051 3858 V CA 1.800 64.089 62.300 -0.019 0.000 1.048 3858 V CB -1.115 30.719 31.823 0.018 0.000 0.666 3858 V HN 0.521 nan 8.190 nan 0.000 0.456 3859 A N -0.427 122.363 122.820 -0.051 0.000 1.978 3859 A HA -0.199 4.121 4.320 0.000 0.000 0.220 3859 A C 2.189 179.758 177.584 -0.024 0.000 1.170 3859 A CA 1.615 53.629 52.037 -0.037 0.000 0.636 3859 A CB -0.317 18.649 19.000 -0.056 0.000 0.810 3859 A HN 0.535 nan 8.150 nan 0.000 0.448 3860 E N -0.119 120.066 120.200 -0.025 0.000 2.107 3860 E HA -0.074 4.276 4.350 0.000 0.000 0.191 3860 E C 1.979 178.575 176.600 -0.007 0.000 0.982 3860 E CA 0.834 57.225 56.400 -0.015 0.000 0.809 3860 E CB -0.359 29.331 29.700 -0.016 0.000 0.756 3860 E HN 0.741 nan 8.360 nan 0.000 0.459 3861 I N 1.350 121.917 120.570 -0.005 0.000 2.226 3861 I HA -0.247 3.923 4.170 0.000 0.000 0.245 3861 I C 2.636 178.755 176.117 0.004 0.000 1.100 3861 I CA 1.040 62.342 61.300 0.002 0.000 1.374 3861 I CB -0.256 37.746 38.000 0.004 0.000 1.057 3861 I HN -0.019 nan 8.210 nan 0.000 0.413 3862 K N 1.662 122.063 120.400 0.002 0.000 2.057 3862 K HA -0.141 4.179 4.320 0.000 0.000 0.207 3862 K C 2.125 178.727 176.600 0.003 0.000 1.049 3862 K CA 1.759 58.049 56.287 0.004 0.000 0.931 3862 K CB -0.242 32.262 32.500 0.005 0.000 0.714 3862 K HN 0.296 nan 8.250 nan 0.000 0.440 3863 A N 0.624 123.444 122.820 -0.000 0.000 2.019 3863 A HA -0.107 4.213 4.320 0.000 0.000 0.219 3863 A C 2.202 179.787 177.584 0.003 0.000 1.164 3863 A CA 1.962 53.998 52.037 -0.000 0.000 0.644 3863 A CB -0.468 18.530 19.000 -0.004 0.000 0.805 3863 A HN 0.380 nan 8.150 nan 0.000 0.449 3864 S N -1.721 113.982 115.700 0.005 0.000 2.419 3864 S HA 0.205 4.675 4.470 0.000 0.000 0.233 3864 S C 1.647 176.254 174.600 0.011 0.000 1.016 3864 S CA 1.303 59.508 58.200 0.008 0.000 0.974 3864 S CB -0.199 63.007 63.200 0.010 0.000 0.786 3864 S HN 1.674 nan 8.310 nan 0.000 0.492 3865 G N 0.668 109.474 108.800 0.010 0.000 2.179 3865 G HA2 -0.122 3.838 3.960 0.000 0.000 0.220 3865 G HA3 -0.122 3.838 3.960 0.000 0.000 0.220 3865 G C 0.135 175.043 174.900 0.014 0.000 0.990 3865 G CA -0.124 44.983 45.100 0.011 0.000 0.646 3865 G HN 0.858 nan 8.290 nan 0.000 0.517 3866 A N 0.508 123.337 122.820 0.014 0.000 2.425 3866 A HA 0.598 4.918 4.320 0.000 0.000 0.249 3866 A C 1.081 178.670 177.584 0.009 0.000 1.084 3866 A CA 1.034 53.081 52.037 0.016 0.000 0.781 3866 A CB 0.257 19.267 19.000 0.017 0.000 1.019 3866 A HN 1.217 nan 8.150 nan 0.000 0.490 3867 N N 0.044 118.748 118.700 0.007 0.000 2.067 3867 N HA 0.113 4.853 4.740 0.000 0.000 0.227 3867 N C -0.857 174.639 175.510 -0.022 0.000 1.348 3867 N CA 0.209 53.257 53.050 -0.004 0.000 0.879 3867 N CB 0.311 38.800 38.487 0.003 0.000 1.109 3867 N HN 0.260 nan 8.380 nan 0.000 0.501 3868 V N 1.620 121.521 119.914 -0.021 0.000 2.540 3868 V HA 0.620 4.740 4.120 0.000 0.000 0.302 3868 V C -1.263 174.776 176.094 -0.092 0.000 1.035 3868 V CA -0.879 61.376 62.300 -0.075 0.000 0.873 3868 V CB 1.881 33.703 31.823 -0.002 0.000 0.992 3868 V HN 0.217 nan 8.190 nan 0.000 0.428 3869 L N 5.291 126.366 121.223 -0.247 0.000 2.438 3869 L HA 0.732 5.072 4.340 0.000 0.000 0.270 3869 L C -1.659 174.976 176.870 -0.391 0.000 0.972 3869 L CA -0.030 54.704 54.840 -0.177 0.000 0.831 3869 L CB 1.730 43.735 42.059 -0.090 0.000 1.273 3869 L HN 0.466 nan 8.230 nan 0.000 0.405 3870 F N 4.558 124.518 119.950 0.017 0.000 2.449 3870 F HA 0.559 5.086 4.527 -0.000 0.000 0.342 3870 F C 0.008 175.816 175.800 0.013 0.000 1.127 3870 F CA -0.410 57.599 58.000 0.016 0.000 0.975 3870 F CB 1.701 40.711 39.000 0.016 0.000 1.146 3870 F HN 0.565 nan 8.300 nan 0.000 0.444 3871 C N 4.737 124.129 119.300 0.154 0.000 2.322 3871 C HA 0.276 4.736 4.460 0.000 0.000 0.324 3871 C C 1.522 176.569 174.990 0.096 0.000 1.284 3871 C CA -0.418 58.658 59.018 0.096 0.000 1.606 3871 C CB 0.982 28.751 27.740 0.049 0.000 2.251 3871 C HN 0.958 nan 8.230 nan 0.000 0.502 3872 Q N 3.104 122.948 119.800 0.074 0.000 2.119 3872 Q HA -0.029 4.311 4.340 0.000 0.000 0.201 3872 Q C 0.818 176.843 176.000 0.042 0.000 0.972 3872 Q CA 1.588 57.424 55.803 0.055 0.000 0.847 3872 Q CB 0.171 28.932 28.738 0.038 0.000 0.903 3872 Q HN 0.756 nan 8.270 nan 0.000 0.433 3873 K N -1.067 119.354 120.400 0.036 0.000 2.520 3873 K HA 0.416 4.737 4.320 0.000 0.000 0.256 3873 K C 0.327 176.942 176.600 0.025 0.000 1.033 3873 K CA -0.183 56.120 56.287 0.026 0.000 1.007 3873 K CB 0.071 32.583 32.500 0.020 0.000 1.330 3873 K HN 0.102 nan 8.250 nan 0.000 0.507 3874 G N 0.351 109.161 108.800 0.017 0.000 2.569 3874 G HA2 0.387 4.347 3.960 0.000 0.000 0.249 3874 G HA3 0.387 4.347 3.960 0.000 0.000 0.249 3874 G C -0.486 174.418 174.900 0.006 0.000 1.216 3874 G CA -0.497 44.609 45.100 0.010 0.000 0.845 3874 G HN 0.367 nan 8.290 nan 0.000 0.568 3875 I N 0.918 121.487 120.570 -0.003 0.000 2.439 3875 I HA 0.150 4.320 4.170 0.000 0.000 0.285 3875 I C -0.410 175.689 176.117 -0.031 0.000 1.021 3875 I CA -0.766 60.527 61.300 -0.012 0.000 1.091 3875 I CB 1.934 39.926 38.000 -0.014 0.000 1.242 3875 I HN 0.422 nan 8.210 nan 0.000 0.439 3876 D N 5.229 125.608 120.400 -0.034 0.000 2.455 3876 D HA -0.054 4.586 4.640 0.000 0.000 0.241 3876 D C 0.668 176.890 176.300 -0.130 0.000 1.138 3876 D CA 0.175 54.138 54.000 -0.061 0.000 0.877 3876 D CB 1.313 42.088 40.800 -0.041 0.000 1.187 3876 D HN 0.480 nan 8.370 nan 0.000 0.451 3877 D N 2.861 123.152 120.400 -0.182 0.000 2.172 3877 D HA -0.202 4.438 4.640 0.000 0.000 0.196 3877 D C 1.746 177.553 176.300 -0.820 0.000 0.999 3877 D CA 0.667 54.445 54.000 -0.370 0.000 0.856 3877 D CB 0.006 40.642 40.800 -0.273 0.000 0.934 3877 D HN 0.371 nan 8.370 nan 0.000 0.453 3878 L N 0.621 121.525 121.223 -0.532 0.000 2.083 3878 L HA -0.070 4.270 4.340 0.000 0.000 0.209 3878 L C 2.105 178.856 176.870 -0.199 0.000 1.083 3878 L CA 1.723 56.310 54.840 -0.423 0.000 0.752 3878 L CB -0.697 41.304 42.059 -0.095 0.000 0.899 3878 L HN -0.013 nan 8.230 nan 0.000 0.433 3879 A N -1.172 121.611 122.820 -0.061 0.000 1.933 3879 A HA -0.241 4.079 4.320 0.000 0.000 0.218 3879 A C 2.167 179.769 177.584 0.030 0.000 1.175 3879 A CA 1.695 53.777 52.037 0.074 0.000 0.628 3879 A CB -0.537 18.486 19.000 0.038 0.000 0.814 3879 A HN 0.651 nan 8.150 nan 0.000 0.444 3880 Q N -1.054 118.698 119.800 -0.081 0.000 2.170 3880 Q HA -0.184 4.156 4.340 0.000 0.000 0.203 3880 Q C 1.786 177.814 176.000 0.047 0.000 0.976 3880 Q CA 1.563 57.346 55.803 -0.033 0.000 0.858 3880 Q CB -0.339 28.366 28.738 -0.053 0.000 0.907 3880 Q HN 0.891 nan 8.270 nan 0.000 0.433 3881 H N -1.342 117.669 119.070 -0.098 0.000 2.389 3881 H HA -0.124 4.432 4.556 0.000 0.000 0.299 3881 H C 1.306 176.519 175.328 -0.192 0.000 1.081 3881 H CA 1.030 56.962 56.048 -0.194 0.000 1.345 3881 H CB 0.108 29.669 29.762 -0.334 0.000 1.393 3881 H HN 0.305 nan 8.280 nan 0.000 0.520 3882 Y N 0.384 120.750 120.300 0.109 0.000 2.365 3882 Y HA -0.082 4.468 4.550 0.000 0.000 0.293 3882 Y C 2.404 178.322 175.900 0.029 0.000 1.119 3882 Y CA 0.086 58.218 58.100 0.054 0.000 1.203 3882 Y CB 0.117 38.597 38.460 0.033 0.000 1.026 3882 Y HN 0.072 nan 8.280 nan 0.000 0.549 3883 L N -0.616 120.707 121.223 0.166 0.000 2.083 3883 L HA -0.246 4.094 4.340 0.000 0.000 0.209 3883 L C 2.649 179.552 176.870 0.055 0.000 1.083 3883 L CA 1.069 55.959 54.840 0.083 0.000 0.752 3883 L CB -0.630 41.455 42.059 0.044 0.000 0.899 3883 L HN 0.240 nan 8.230 nan 0.000 0.433 3884 A N -0.164 122.688 122.820 0.053 0.000 1.969 3884 A HA -0.238 4.082 4.320 0.000 0.000 0.218 3884 A C 2.372 179.975 177.584 0.032 0.000 1.169 3884 A CA 1.696 53.752 52.037 0.031 0.000 0.635 3884 A CB -0.384 18.630 19.000 0.023 0.000 0.810 3884 A HN 0.322 nan 8.150 nan 0.000 0.445 3885 K N -0.367 120.068 120.400 0.058 0.000 2.097 3885 K HA -0.145 4.175 4.320 0.000 0.000 0.206 3885 K C 1.030 177.658 176.600 0.047 0.000 1.049 3885 K CA 1.511 57.834 56.287 0.060 0.000 0.933 3885 K CB -0.002 32.565 32.500 0.112 0.000 0.717 3885 K HN 0.353 nan 8.250 nan 0.000 0.442 3886 E N -0.760 119.469 120.200 0.048 0.000 2.474 3886 E HA 0.059 4.409 4.350 0.000 0.000 0.195 3886 E C 0.603 177.215 176.600 0.018 0.000 1.039 3886 E CA 0.628 57.047 56.400 0.031 0.000 0.881 3886 E CB 0.880 30.599 29.700 0.031 0.000 0.970 3886 E HN 0.540 nan 8.360 nan 0.000 0.486 3887 G N 2.118 110.927 108.800 0.016 0.000 2.176 3887 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 3887 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 3887 G C 0.231 175.129 174.900 -0.002 0.000 1.024 3887 G CA 0.108 45.211 45.100 0.005 0.000 0.755 3887 G HN 0.273 nan 8.290 nan 0.000 0.507 3888 I N 0.993 121.562 120.570 -0.002 0.000 2.352 3888 I HA 0.378 4.548 4.170 0.000 0.000 0.290 3888 I C 1.124 177.219 176.117 -0.037 0.000 1.036 3888 I CA -0.956 60.333 61.300 -0.017 0.000 1.336 3888 I CB 1.375 39.368 38.000 -0.011 0.000 1.407 3888 I HN 0.165 nan 8.210 nan 0.000 0.497 3889 V N 4.069 123.946 119.914 -0.061 0.000 2.546 3889 V HA 0.889 5.009 4.120 0.000 0.000 0.284 3889 V C 0.116 176.108 176.094 -0.170 0.000 1.050 3889 V CA -0.215 62.029 62.300 -0.094 0.000 0.981 3889 V CB 1.118 32.888 31.823 -0.088 0.000 0.990 3889 V HN 0.830 nan 8.190 nan 0.000 0.474 3890 A N 3.709 126.424 122.820 -0.174 0.000 2.539 3890 A HA 1.020 5.340 4.320 0.000 0.000 0.296 3890 A C -0.357 177.100 177.584 -0.212 0.000 1.073 3890 A CA -0.354 51.547 52.037 -0.226 0.000 0.700 3890 A CB 1.904 20.831 19.000 -0.122 0.000 1.296 3890 A HN 2.417 nan 8.150 nan 0.000 0.405 3891 A N 1.525 124.193 122.820 -0.253 0.000 2.381 3891 A HA 0.740 5.060 4.320 0.000 0.000 0.299 3891 A C -0.092 177.499 177.584 0.012 0.000 1.049 3891 A CA -0.595 51.393 52.037 -0.083 0.000 0.715 3891 A CB 0.924 19.923 19.000 -0.002 0.000 1.222 3891 A HN 1.276 nan 8.150 nan 0.000 0.428 3892 R N 2.020 122.538 120.500 0.029 0.000 2.602 3892 R HA 0.696 5.036 4.340 0.000 0.000 0.237 3892 R C 0.374 176.711 176.300 0.062 0.000 1.219 3892 R CA -0.152 55.973 56.100 0.042 0.000 1.121 3892 R CB 0.340 30.650 30.300 0.017 0.000 1.408 3892 R HN 1.067 nan 8.270 nan 0.000 0.559 3893 R N -1.199 119.331 120.500 0.049 0.000 3.502 3893 R HA -0.130 4.210 4.340 0.000 0.000 0.266 3893 R C -1.234 175.099 176.300 0.056 0.000 1.077 3893 R CA 0.707 56.833 56.100 0.044 0.000 0.718 3893 R CB -2.558 27.762 30.300 0.032 0.000 1.120 3893 R HN 0.291 nan 8.270 nan 0.000 0.457 3894 V N 1.281 121.241 119.914 0.077 0.000 2.614 3894 V HA 0.082 4.202 4.120 0.000 0.000 0.291 3894 V C 1.178 177.297 176.094 0.042 0.000 1.049 3894 V CA -0.178 62.171 62.300 0.081 0.000 1.038 3894 V CB 1.411 33.311 31.823 0.129 0.000 0.980 3894 V HN 0.329 nan 8.190 nan 0.000 0.481 3895 K N 3.069 123.483 120.400 0.024 0.000 2.448 3895 K HA 0.025 4.345 4.320 0.000 0.000 0.278 3895 K C 1.174 177.774 176.600 -0.001 0.000 1.009 3895 K CA -0.291 56.001 56.287 0.009 0.000 0.995 3895 K CB 0.526 33.027 32.500 0.001 0.000 0.917 3895 K HN 0.616 nan 8.250 nan 0.000 0.481 3896 K N 2.307 122.708 120.400 0.001 0.000 2.113 3896 K HA -0.188 4.132 4.320 0.000 0.000 0.208 3896 K C 1.853 178.443 176.600 -0.016 0.000 1.047 3896 K CA 2.126 58.411 56.287 -0.004 0.000 0.928 3896 K CB -0.473 32.026 32.500 -0.001 0.000 0.716 3896 K HN 0.580 nan 8.250 nan 0.000 0.446 3897 S N 0.164 115.853 115.700 -0.018 0.000 2.370 3897 S HA -0.154 4.316 4.470 0.000 0.000 0.226 3897 S C 1.344 175.919 174.600 -0.042 0.000 1.033 3897 S CA 1.758 59.943 58.200 -0.026 0.000 1.011 3897 S CB -0.391 62.795 63.200 -0.022 0.000 0.852 3897 S HN 0.427 nan 8.310 nan 0.000 0.457 3898 D N 0.417 120.787 120.400 -0.050 0.000 2.234 3898 D HA 0.025 4.665 4.640 0.000 0.000 0.205 3898 D C 1.929 178.158 176.300 -0.118 0.000 0.962 3898 D CA 0.607 54.556 54.000 -0.085 0.000 0.855 3898 D CB -0.159 40.591 40.800 -0.083 0.000 0.951 3898 D HN 0.390 nan 8.370 nan 0.000 0.500 3899 M N 0.748 120.300 119.600 -0.080 0.000 2.159 3899 M HA -0.097 4.383 4.480 0.000 0.000 0.263 3899 M C 1.827 178.088 176.300 -0.064 0.000 1.063 3899 M CA 1.231 56.487 55.300 -0.072 0.000 1.110 3899 M CB -0.722 31.866 32.600 -0.020 0.000 1.374 3899 M HN 0.071 nan 8.290 nan 0.000 0.411 3900 E N -0.075 120.095 120.200 -0.051 0.000 2.112 3900 E HA -0.126 4.224 4.350 0.000 0.000 0.190 3900 E C 2.016 178.584 176.600 -0.054 0.000 0.979 3900 E CA 0.789 57.164 56.400 -0.042 0.000 0.814 3900 E CB 0.016 29.698 29.700 -0.030 0.000 0.762 3900 E HN 0.492 nan 8.360 nan 0.000 0.460 3901 K N 0.575 120.932 120.400 -0.070 0.000 2.148 3901 K HA -0.075 4.245 4.320 0.000 0.000 0.204 3901 K C 2.100 178.642 176.600 -0.098 0.000 1.050 3901 K CA 0.751 56.991 56.287 -0.078 0.000 0.942 3901 K CB 0.007 32.455 32.500 -0.087 0.000 0.724 3901 K HN 0.098 nan 8.250 nan 0.000 0.446 3902 L N 0.286 121.428 121.223 -0.136 0.000 2.072 3902 L HA -0.131 4.209 4.340 0.000 0.000 0.205 3902 L C 2.559 179.376 176.870 -0.088 0.000 1.079 3902 L CA 0.968 55.710 54.840 -0.164 0.000 0.752 3902 L CB -0.506 41.376 42.059 -0.295 0.000 0.906 3902 L HN 0.182 nan 8.230 nan 0.000 0.436 3903 A N 0.196 122.979 122.820 -0.062 0.000 1.902 3903 A HA -0.208 4.112 4.320 0.000 0.000 0.217 3903 A C 2.328 179.900 177.584 -0.020 0.000 1.181 3903 A CA 1.638 53.659 52.037 -0.027 0.000 0.623 3903 A CB -0.286 18.702 19.000 -0.019 0.000 0.818 3903 A HN 0.306 nan 8.150 nan 0.000 0.443 3904 K N -0.433 119.951 120.400 -0.028 0.000 2.031 3904 K HA 0.028 4.348 4.320 0.000 0.000 0.205 3904 K C 2.386 178.978 176.600 -0.013 0.000 1.049 3904 K CA 1.067 57.343 56.287 -0.018 0.000 0.939 3904 K CB -0.291 32.195 32.500 -0.024 0.000 0.717 3904 K HN 0.416 nan 8.250 nan 0.000 0.438 3905 A N 1.187 123.990 122.820 -0.028 0.000 1.855 3905 A HA -0.146 4.174 4.320 0.000 0.000 0.215 3905 A C 2.304 179.882 177.584 -0.011 0.000 1.191 3905 A CA 2.225 54.247 52.037 -0.025 0.000 0.613 3905 A CB -1.061 17.910 19.000 -0.049 0.000 0.829 3905 A HN 0.469 nan 8.150 nan 0.000 0.442 3906 T N -4.240 110.305 114.554 -0.015 0.000 3.043 3906 T HA 0.352 4.702 4.350 0.000 0.000 0.263 3906 T C 1.459 176.170 174.700 0.019 0.000 1.094 3906 T CA 1.237 63.339 62.100 0.004 0.000 1.127 3906 T CB -0.183 68.690 68.868 0.008 0.000 0.905 3906 T HN 1.813 nan 8.240 nan 0.000 0.490 3907 G N 1.441 110.250 108.800 0.016 0.000 2.143 3907 G HA2 -0.037 3.924 3.960 0.000 0.000 0.248 3907 G HA3 -0.037 3.924 3.960 0.000 0.000 0.248 3907 G C 0.259 175.172 174.900 0.022 0.000 0.991 3907 G CA 0.023 45.136 45.100 0.022 0.000 0.689 3907 G HN 1.209 nan 8.290 nan 0.000 0.522 3908 A N -0.385 122.447 122.820 0.019 0.000 2.445 3908 A HA 0.594 4.914 4.320 0.000 0.000 0.242 3908 A C 0.378 177.975 177.584 0.021 0.000 1.075 3908 A CA 0.611 52.664 52.037 0.028 0.000 0.777 3908 A CB 0.397 19.419 19.000 0.038 0.000 1.013 3908 A HN 0.912 nan 8.150 nan 0.000 0.493 3909 N N 1.427 120.142 118.700 0.025 0.000 2.417 3909 N HA 0.400 5.140 4.740 0.000 0.000 0.274 3909 N C -0.867 174.657 175.510 0.023 0.000 0.987 3909 N CA -0.373 52.688 53.050 0.019 0.000 0.912 3909 N CB 1.316 39.814 38.487 0.017 0.000 1.177 3909 N HN 0.334 nan 8.380 nan 0.000 0.490 3910 V N 4.058 123.983 119.914 0.019 0.000 2.540 3910 V HA 0.101 4.221 4.120 0.000 0.000 0.297 3910 V C 0.487 176.594 176.094 0.021 0.000 1.024 3910 V CA 0.151 62.464 62.300 0.022 0.000 1.105 3910 V CB -0.129 31.704 31.823 0.016 0.000 0.938 3910 V HN 0.591 nan 8.190 nan 0.000 0.482 3911 I N 4.287 124.872 120.570 0.025 0.000 2.740 3911 I HA 0.472 4.642 4.170 0.000 0.000 0.303 3911 I C 1.108 177.236 176.117 0.020 0.000 1.044 3911 I CA 0.323 61.636 61.300 0.020 0.000 1.064 3911 I CB 2.433 40.446 38.000 0.021 0.000 1.249 3911 I HN 0.784 nan 8.210 nan 0.000 0.433 3912 T N 2.353 116.916 114.554 0.015 0.000 2.904 3912 T HA 0.187 4.537 4.350 0.000 0.000 0.243 3912 T C 0.781 175.488 174.700 0.013 0.000 1.024 3912 T CA 0.283 62.391 62.100 0.014 0.000 1.158 3912 T CB -0.340 68.534 68.868 0.011 0.000 0.867 3912 T HN 0.429 nan 8.240 nan 0.000 0.429 3913 N N 0.630 119.336 118.700 0.010 0.000 2.456 3913 N HA 0.364 5.104 4.740 0.000 0.000 0.288 3913 N C 0.950 176.465 175.510 0.009 0.000 1.059 3913 N CA -0.585 52.470 53.050 0.008 0.000 0.946 3913 N CB 1.108 39.598 38.487 0.006 0.000 1.150 3913 N HN 0.288 nan 8.380 nan 0.000 0.479 3914 I N 2.203 122.778 120.570 0.007 0.000 2.264 3914 I HA -0.235 3.935 4.170 0.000 0.000 0.248 3914 I C 1.955 178.074 176.117 0.002 0.000 1.111 3914 I CA 0.899 62.202 61.300 0.005 0.000 1.382 3914 I CB 0.028 38.029 38.000 0.002 0.000 1.060 3914 I HN 0.450 nan 8.210 nan 0.000 0.418 3915 K N 0.406 120.806 120.400 0.000 0.000 2.211 3915 K HA -0.156 4.164 4.320 0.000 0.000 0.203 3915 K C 1.423 178.024 176.600 0.001 0.000 1.050 3915 K CA 1.214 57.500 56.287 -0.002 0.000 0.945 3915 K CB -0.322 32.177 32.500 -0.003 0.000 0.732 3915 K HN 0.335 nan 8.250 nan 0.000 0.451 3916 D N 0.583 120.985 120.400 0.004 0.000 2.249 3916 D HA -0.064 4.576 4.640 0.000 0.000 0.205 3916 D C 0.578 176.883 176.300 0.008 0.000 0.962 3916 D CA 0.032 54.036 54.000 0.006 0.000 0.860 3916 D CB -0.170 40.634 40.800 0.007 0.000 0.955 3916 D HN -0.014 nan 8.370 nan 0.000 0.505 3917 L N 1.581 122.810 121.223 0.010 0.000 2.628 3917 L HA 0.024 4.364 4.340 0.000 0.000 0.274 3917 L C 0.328 177.205 176.870 0.011 0.000 1.209 3917 L CA 0.236 55.083 54.840 0.013 0.000 0.930 3917 L CB 0.042 42.110 42.059 0.015 0.000 1.183 3917 L HN -0.056 nan 8.230 nan 0.000 0.492 3918 S N 3.355 119.063 115.700 0.013 0.000 2.704 3918 S HA 0.800 5.270 4.470 0.000 0.000 0.296 3918 S C 0.853 175.462 174.600 0.015 0.000 1.138 3918 S CA -0.388 57.819 58.200 0.011 0.000 0.875 3918 S CB 1.263 64.469 63.200 0.010 0.000 1.151 3918 S HN 0.812 nan 8.310 nan 0.000 0.500 3919 A N 0.516 123.344 122.820 0.014 0.000 1.978 3919 A HA -0.089 4.231 4.320 0.000 0.000 0.220 3919 A C 2.026 179.621 177.584 0.017 0.000 1.170 3919 A CA 1.376 53.422 52.037 0.016 0.000 0.636 3919 A CB -0.925 18.083 19.000 0.014 0.000 0.810 3919 A HN 0.738 nan 8.150 nan 0.000 0.448 3920 Q N 0.066 119.875 119.800 0.015 0.000 2.437 3920 Q HA -0.114 4.226 4.340 0.000 0.000 0.210 3920 Q C 0.642 176.653 176.000 0.017 0.000 0.972 3920 Q CA 1.160 56.972 55.803 0.015 0.000 0.903 3920 Q CB -0.236 28.509 28.738 0.012 0.000 0.967 3920 Q HN 0.682 nan 8.270 nan 0.000 0.486 3921 D N -0.280 120.131 120.400 0.019 0.000 2.346 3921 D HA 0.076 4.716 4.640 0.000 0.000 0.206 3921 D C 0.489 176.806 176.300 0.029 0.000 1.001 3921 D CA 0.093 54.106 54.000 0.022 0.000 0.871 3921 D CB 0.648 41.461 40.800 0.021 0.000 0.943 3921 D HN 0.198 nan 8.370 nan 0.000 0.518 3922 L N 1.031 122.272 121.223 0.030 0.000 2.380 3922 L HA 0.381 4.721 4.340 0.000 0.000 0.273 3922 L C 1.154 178.047 176.870 0.038 0.000 1.138 3922 L CA -0.452 54.410 54.840 0.037 0.000 0.832 3922 L CB 1.214 43.294 42.059 0.034 0.000 1.124 3922 L HN -0.143 nan 8.230 nan 0.000 0.454 3923 G N 1.206 110.033 108.800 0.046 0.000 2.491 3923 G HA2 0.456 4.416 3.960 0.000 0.000 0.327 3923 G HA3 0.456 4.416 3.960 0.000 0.000 0.327 3923 G C -1.188 173.739 174.900 0.045 0.000 1.189 3923 G CA -0.489 44.636 45.100 0.042 0.000 0.956 3923 G HN 0.533 nan 8.290 nan 0.000 0.491 3924 D N -0.171 120.251 120.400 0.038 0.000 2.248 3924 D HA 0.594 5.234 4.640 0.000 0.000 0.246 3924 D C -0.354 175.964 176.300 0.030 0.000 1.027 3924 D CA 0.029 54.049 54.000 0.033 0.000 0.853 3924 D CB 2.078 42.893 40.800 0.025 0.000 1.243 3924 D HN 0.553 nan 8.370 nan 0.000 0.462 3925 A N 0.588 123.430 122.820 0.037 0.000 2.398 3925 A HA 0.604 4.924 4.320 0.000 0.000 0.301 3925 A C 0.997 178.600 177.584 0.031 0.000 1.041 3925 A CA -0.486 51.573 52.037 0.036 0.000 0.711 3925 A CB 1.656 20.694 19.000 0.063 0.000 1.240 3925 A HN 0.515 nan 8.150 nan 0.000 0.420 3926 G N 0.653 109.464 108.800 0.019 0.000 2.422 3926 G HA2 0.246 4.206 3.960 0.000 0.000 0.218 3926 G HA3 0.246 4.206 3.960 0.000 0.000 0.218 3926 G C 0.326 175.243 174.900 0.029 0.000 1.146 3926 G CA 1.690 46.800 45.100 0.016 0.000 0.769 3926 G HN 1.136 nan 8.290 nan 0.000 0.547 3927 L N -0.072 121.177 121.223 0.043 0.000 2.505 3927 L HA 0.599 4.939 4.340 0.000 0.000 0.266 3927 L C -1.313 175.608 176.870 0.084 0.000 0.954 3927 L CA -0.753 54.120 54.840 0.056 0.000 0.852 3927 L CB 2.503 44.594 42.059 0.053 0.000 1.282 3927 L HN -0.143 nan 8.230 nan 0.000 0.403 3928 V N 4.486 124.453 119.914 0.089 0.000 2.350 3928 V HA 0.633 4.753 4.120 0.000 0.000 0.285 3928 V C -0.411 175.740 176.094 0.095 0.000 1.014 3928 V CA -0.420 61.954 62.300 0.124 0.000 0.831 3928 V CB 1.322 33.229 31.823 0.140 0.000 1.000 3928 V HN 0.823 nan 8.190 nan 0.000 0.433 3929 E N 3.214 123.480 120.200 0.110 0.000 2.308 3929 E HA 0.391 4.741 4.350 0.000 0.000 0.275 3929 E C -0.965 175.642 176.600 0.012 0.000 0.890 3929 E CA -0.681 55.747 56.400 0.047 0.000 0.754 3929 E CB 2.169 31.884 29.700 0.024 0.000 1.207 3929 E HN 0.734 nan 8.360 nan 0.000 0.426 3930 E N 4.133 124.318 120.200 -0.026 0.000 2.180 3930 E HA 0.217 4.567 4.350 0.000 0.000 0.283 3930 E C -0.896 175.612 176.600 -0.153 0.000 1.061 3930 E CA -0.152 56.211 56.400 -0.061 0.000 0.861 3930 E CB 0.641 30.322 29.700 -0.032 0.000 1.056 3930 E HN 0.335 nan 8.360 nan 0.000 0.407 3931 R N 3.680 124.008 120.500 -0.287 0.000 2.686 3931 R HA 0.396 4.736 4.340 0.000 0.000 0.283 3931 R C -0.802 175.323 176.300 -0.292 0.000 0.978 3931 R CA -0.916 54.954 56.100 -0.383 0.000 0.897 3931 R CB 2.006 31.875 30.300 -0.718 0.000 1.192 3931 R HN 0.325 nan 8.270 nan 0.000 0.457 3932 K N 2.391 122.678 120.400 -0.188 0.000 2.213 3932 K HA 0.414 4.734 4.320 0.000 0.000 0.270 3932 K C -0.773 175.776 176.600 -0.085 0.000 1.002 3932 K CA -0.554 55.670 56.287 -0.105 0.000 0.868 3932 K CB 1.273 33.735 32.500 -0.063 0.000 1.093 3932 K HN 0.296 nan 8.250 nan 0.000 0.454 3933 I N 1.947 122.494 120.570 -0.038 0.000 2.390 3933 I HA 0.086 4.256 4.170 0.000 0.000 0.283 3933 I C 0.044 176.171 176.117 0.015 0.000 1.016 3933 I CA -0.178 61.126 61.300 0.006 0.000 1.151 3933 I CB 1.675 39.718 38.000 0.070 0.000 1.293 3933 I HN 0.578 nan 8.210 nan 0.000 0.458 3934 S N 4.471 120.176 115.700 0.009 0.000 3.581 3934 S HA -0.193 4.277 4.470 0.000 0.000 0.354 3934 S C 1.362 175.965 174.600 0.005 0.000 1.059 3934 S CA 1.065 59.270 58.200 0.009 0.000 1.060 3934 S CB -1.330 61.880 63.200 0.016 0.000 0.908 3934 S HN 1.457 nan 8.310 nan 0.000 0.475 3935 G N 0.439 109.238 108.800 -0.002 0.000 2.358 3935 G HA2 -0.264 3.696 3.960 0.000 0.000 0.224 3935 G HA3 -0.264 3.696 3.960 0.000 0.000 0.224 3935 G C -0.365 174.532 174.900 -0.004 0.000 1.073 3935 G CA 0.045 45.142 45.100 -0.005 0.000 0.635 3935 G HN 0.607 nan 8.290 nan 0.000 0.509 3936 D N 1.881 122.284 120.400 0.006 0.000 2.412 3936 D HA 0.386 5.026 4.640 0.000 0.000 0.257 3936 D C 0.476 176.781 176.300 0.008 0.000 1.217 3936 D CA 0.900 54.908 54.000 0.014 0.000 0.897 3936 D CB 1.405 42.222 40.800 0.028 0.000 1.132 3936 D HN 0.276 nan 8.370 nan 0.000 0.493 3937 S N 3.434 119.137 115.700 0.005 0.000 2.481 3937 S HA 0.368 4.838 4.470 0.000 0.000 0.276 3937 S C -0.141 174.476 174.600 0.028 0.000 1.247 3937 S CA -0.425 57.772 58.200 -0.005 0.000 1.053 3937 S CB 0.149 63.346 63.200 -0.005 0.000 0.925 3937 S HN 0.315 nan 8.310 nan 0.000 0.491 3938 M N 4.436 124.049 119.600 0.023 0.000 2.619 3938 M HA 0.534 5.014 4.480 0.000 0.000 0.297 3938 M C -1.068 175.304 176.300 0.121 0.000 1.229 3938 M CA -0.652 54.723 55.300 0.125 0.000 0.860 3938 M CB 2.151 34.921 32.600 0.285 0.000 1.741 3938 M HN 0.441 nan 8.290 nan 0.000 0.462 3939 I N 1.998 122.715 120.570 0.246 0.000 2.330 3939 I HA 0.337 4.507 4.170 0.000 0.000 0.289 3939 I C -1.261 175.148 176.117 0.488 0.000 1.001 3939 I CA -0.458 61.010 61.300 0.279 0.000 1.193 3939 I CB 0.897 39.060 38.000 0.272 0.000 1.345 3939 I HN 0.391 nan 8.210 nan 0.000 0.461 3940 F N 6.256 126.246 119.950 0.066 0.000 2.391 3940 F HA 0.335 4.862 4.527 -0.000 0.000 0.359 3940 F C 0.227 176.062 175.800 0.058 0.000 1.122 3940 F CA -0.994 57.033 58.000 0.045 0.000 1.120 3940 F CB 1.309 40.326 39.000 0.028 0.000 1.142 3940 F HN 0.001 nan 8.300 nan 0.000 0.483 3941 V N 4.915 124.927 119.914 0.163 0.000 2.311 3941 V HA 0.363 4.483 4.120 0.000 0.000 0.275 3941 V C -0.247 175.870 176.094 0.039 0.000 1.022 3941 V CA -0.577 61.785 62.300 0.104 0.000 0.830 3941 V CB 0.695 32.551 31.823 0.054 0.000 1.012 3941 V HN 0.786 nan 8.190 nan 0.000 0.452 3942 E N 3.317 123.552 120.200 0.058 0.000 2.433 3942 E HA 0.679 5.029 4.350 0.000 0.000 0.273 3942 E C -0.819 175.793 176.600 0.020 0.000 0.950 3942 E CA -0.911 55.506 56.400 0.027 0.000 0.796 3942 E CB 1.754 31.486 29.700 0.053 0.000 1.330 3942 E HN 0.231 nan 8.360 nan 0.000 0.455 3943 E N -0.944 119.256 120.200 0.001 0.000 2.596 3943 E HA -0.141 4.209 4.350 0.000 0.000 0.272 3943 E C -0.704 175.880 176.600 -0.026 0.000 1.039 3943 E CA 0.477 56.871 56.400 -0.011 0.000 0.804 3943 E CB -2.406 27.295 29.700 0.001 0.000 1.373 3943 E HN 0.597 nan 8.360 nan 0.000 0.404 3944 C N 0.814 120.095 119.300 -0.031 0.000 2.679 3944 C HA 0.049 4.509 4.460 0.000 0.000 0.417 3944 C C 2.285 177.223 174.990 -0.086 0.000 1.302 3944 C CA 0.054 59.049 59.018 -0.039 0.000 1.973 3944 C CB 0.357 28.080 27.740 -0.029 0.000 2.715 3944 C HN 0.389 nan 8.230 nan 0.000 0.628 3945 K N 0.859 121.193 120.400 -0.110 0.000 1.973 3945 K HA -0.068 4.252 4.320 0.000 0.000 0.212 3945 K C 0.448 176.753 176.600 -0.491 0.000 1.047 3945 K CA 1.303 57.425 56.287 -0.276 0.000 0.937 3945 K CB -0.058 32.328 32.500 -0.191 0.000 0.721 3945 K HN 0.686 nan 8.250 nan 0.000 0.440 3946 H N 0.389 119.457 119.070 -0.002 0.000 2.380 3946 H HA 0.244 4.800 4.556 0.000 0.000 0.231 3946 H C -2.501 172.821 175.328 -0.009 0.000 1.415 3946 H CA -1.982 54.063 56.048 -0.005 0.000 1.433 3946 H CB 0.649 30.409 29.762 -0.004 0.000 1.544 3946 H HN 0.197 nan 8.280 nan 0.000 0.503 3947 P HA 0.138 nan 4.420 nan 0.000 0.275 3947 P C 0.380 177.695 177.300 0.024 0.000 1.227 3947 P CA -0.527 62.585 63.100 0.021 0.000 0.781 3947 P CB 1.843 33.537 31.700 -0.010 0.000 0.906 3948 K N 0.619 121.026 120.400 0.010 0.000 2.373 3948 K HA 0.460 4.780 4.320 0.000 0.000 0.202 3948 K C 0.185 176.778 176.600 -0.012 0.000 1.025 3948 K CA 0.042 56.330 56.287 0.003 0.000 1.115 3948 K CB 0.530 33.031 32.500 0.001 0.000 0.858 3948 K HN 0.574 nan 8.250 nan 0.000 0.525 3949 A N -0.205 122.603 122.820 -0.020 0.000 2.520 3949 A HA 0.715 5.036 4.320 0.000 0.000 0.298 3949 A C -1.612 175.947 177.584 -0.041 0.000 1.051 3949 A CA -0.689 51.328 52.037 -0.033 0.000 0.690 3949 A CB 1.775 20.749 19.000 -0.043 0.000 1.281 3949 A HN -0.051 nan 8.150 nan 0.000 0.402 3950 V N 0.867 120.754 119.914 -0.046 0.000 3.007 3950 V HA 0.852 4.972 4.120 0.000 0.000 0.311 3950 V C -0.801 175.252 176.094 -0.068 0.000 1.120 3950 V CA -0.153 62.115 62.300 -0.054 0.000 0.980 3950 V CB 2.660 34.459 31.823 -0.041 0.000 1.033 3950 V HN 1.084 nan 8.190 nan 0.000 0.429 3951 T N 6.601 121.101 114.554 -0.089 0.000 2.848 3951 T HA 0.498 4.848 4.350 0.000 0.000 0.285 3951 T C -0.608 174.030 174.700 -0.103 0.000 0.995 3951 T CA -0.264 61.772 62.100 -0.107 0.000 0.970 3951 T CB 1.327 70.100 68.868 -0.159 0.000 0.976 3951 T HN 0.751 nan 8.240 nan 0.000 0.441 3952 M N 4.539 124.091 119.600 -0.081 0.000 2.114 3952 M HA 0.571 5.051 4.480 0.000 0.000 0.332 3952 M C -1.559 174.705 176.300 -0.060 0.000 1.014 3952 M CA -1.133 54.130 55.300 -0.062 0.000 0.956 3952 M CB 0.726 33.302 32.600 -0.040 0.000 1.551 3952 M HN 0.493 nan 8.290 nan 0.000 0.427 3953 L N 7.517 128.706 121.223 -0.058 0.000 2.257 3953 L HA 0.561 4.901 4.340 0.000 0.000 0.290 3953 L C -1.409 175.458 176.870 -0.005 0.000 1.044 3953 L CA 0.026 54.846 54.840 -0.034 0.000 0.810 3953 L CB 0.680 42.723 42.059 -0.027 0.000 1.193 3953 L HN 0.697 nan 8.230 nan 0.000 0.425 3954 I N 5.897 126.466 120.570 -0.001 0.000 2.336 3954 I HA 0.495 4.665 4.170 0.000 0.000 0.292 3954 I C 0.060 176.186 176.117 0.015 0.000 0.991 3954 I CA -0.665 60.638 61.300 0.006 0.000 1.227 3954 I CB 0.800 38.801 38.000 0.000 0.000 1.366 3954 I HN 0.550 nan 8.210 nan 0.000 0.466 3955 R N 3.963 124.474 120.500 0.019 0.000 2.902 3955 R HA 0.912 5.252 4.340 0.000 0.000 0.258 3955 R C -0.271 176.041 176.300 0.019 0.000 1.071 3955 R CA -1.063 55.050 56.100 0.022 0.000 1.024 3955 R CB 1.944 32.260 30.300 0.027 0.000 1.184 3955 R HN 0.859 nan 8.270 nan 0.000 0.492 3956 G N -1.107 107.705 108.800 0.021 0.000 2.328 3956 G HA2 -0.018 3.942 3.960 0.000 0.000 0.299 3956 G HA3 -0.018 3.942 3.960 0.000 0.000 0.299 3956 G C -0.003 174.911 174.900 0.023 0.000 1.435 3956 G CA -0.079 45.033 45.100 0.022 0.000 0.865 3956 G HN 0.390 nan 8.290 nan 0.000 0.601 3957 T N -0.812 113.757 114.554 0.025 0.000 2.995 3957 T HA 0.305 4.655 4.350 0.000 0.000 0.269 3957 T C 0.829 175.549 174.700 0.033 0.000 1.091 3957 T CA 2.312 64.427 62.100 0.026 0.000 1.128 3957 T CB -0.249 68.634 68.868 0.025 0.000 0.891 3957 T HN 0.764 nan 8.240 nan 0.000 0.492 3958 T N 0.093 114.672 114.554 0.041 0.000 2.889 3958 T HA 0.305 4.655 4.350 0.000 0.000 0.315 3958 T C 0.260 174.988 174.700 0.047 0.000 1.291 3958 T CA -0.651 61.484 62.100 0.059 0.000 1.028 3958 T CB 2.102 71.025 68.868 0.091 0.000 1.235 3958 T HN -0.020 nan 8.240 nan 0.000 0.491 3959 E N 0.944 121.158 120.200 0.023 0.000 2.049 3959 E HA -0.219 4.131 4.350 0.000 0.000 0.198 3959 E C 1.383 177.927 176.600 -0.093 0.000 1.007 3959 E CA 2.220 58.580 56.400 -0.066 0.000 0.809 3959 E CB -0.229 29.378 29.700 -0.153 0.000 0.749 3959 E HN 0.742 nan 8.360 nan 0.000 0.450 3960 H N -1.157 117.917 119.070 0.007 0.000 2.456 3960 H HA -0.030 4.526 4.556 -0.000 0.000 0.296 3960 H C 1.989 177.320 175.328 0.006 0.000 1.079 3960 H CA 1.250 57.302 56.048 0.006 0.000 1.322 3960 H CB 0.051 29.816 29.762 0.005 0.000 1.388 3960 H HN 0.041 nan 8.280 nan 0.000 0.538 3961 V N 1.192 121.176 119.914 0.117 0.000 2.323 3961 V HA -0.197 3.923 4.120 0.000 0.000 0.244 3961 V C 2.300 178.417 176.094 0.039 0.000 1.041 3961 V CA 1.874 64.215 62.300 0.067 0.000 1.025 3961 V CB -0.438 31.416 31.823 0.053 0.000 0.656 3961 V HN 0.546 nan 8.190 nan 0.000 0.451 3962 I N -1.948 118.637 120.570 0.024 0.000 2.830 3962 I HA -0.068 4.102 4.170 0.000 0.000 0.263 3962 I C 2.077 178.194 176.117 0.001 0.000 1.230 3962 I CA 1.404 62.709 61.300 0.010 0.000 1.480 3962 I CB -0.524 37.478 38.000 0.003 0.000 1.095 3962 I HN 0.294 nan 8.210 nan 0.000 0.455 3963 E N 1.482 121.680 120.200 -0.004 0.000 2.076 3963 E HA -0.202 4.148 4.350 0.000 0.000 0.190 3963 E C 2.045 178.651 176.600 0.010 0.000 0.979 3963 E CA 1.060 57.454 56.400 -0.011 0.000 0.807 3963 E CB -0.009 29.669 29.700 -0.037 0.000 0.761 3963 E HN 0.615 nan 8.360 nan 0.000 0.454 3964 E N 0.719 120.936 120.200 0.027 0.000 2.106 3964 E HA -0.159 4.191 4.350 0.000 0.000 0.192 3964 E C 2.060 178.672 176.600 0.020 0.000 0.984 3964 E CA 0.901 57.319 56.400 0.029 0.000 0.806 3964 E CB 0.238 29.961 29.700 0.039 0.000 0.750 3964 E HN 0.022 nan 8.360 nan 0.000 0.458 3965 V N 1.234 121.159 119.914 0.018 0.000 2.343 3965 V HA -0.250 3.870 4.120 0.000 0.000 0.247 3965 V C 2.464 178.562 176.094 0.007 0.000 1.051 3965 V CA 1.736 64.044 62.300 0.013 0.000 1.036 3965 V CB -0.733 31.097 31.823 0.012 0.000 0.654 3965 V HN 0.437 nan 8.190 nan 0.000 0.451 3966 A N -0.276 122.546 122.820 0.003 0.000 1.933 3966 A HA -0.200 4.120 4.320 0.000 0.000 0.218 3966 A C 2.359 179.942 177.584 -0.001 0.000 1.175 3966 A CA 1.481 53.517 52.037 -0.002 0.000 0.628 3966 A CB -0.417 18.579 19.000 -0.007 0.000 0.814 3966 A HN 0.384 nan 8.150 nan 0.000 0.444 3967 R N -0.545 119.957 120.500 0.004 0.000 2.090 3967 R HA 0.039 4.379 4.340 0.000 0.000 0.228 3967 R C 2.422 178.726 176.300 0.006 0.000 1.110 3967 R CA 1.280 57.383 56.100 0.005 0.000 0.973 3967 R CB -1.087 29.218 30.300 0.009 0.000 0.869 3967 R HN 0.525 nan 8.270 nan 0.000 0.440 3968 A N 0.973 123.798 122.820 0.009 0.000 1.902 3968 A HA -0.128 4.192 4.320 0.000 0.000 0.217 3968 A C 2.271 179.859 177.584 0.007 0.000 1.181 3968 A CA 1.932 53.975 52.037 0.011 0.000 0.623 3968 A CB -0.609 18.399 19.000 0.014 0.000 0.818 3968 A HN 0.211 nan 8.150 nan 0.000 0.443 3969 V N -2.406 117.510 119.914 0.003 0.000 2.719 3969 V HA -0.112 4.008 4.120 0.000 0.000 0.252 3969 V C 1.926 178.018 176.094 -0.003 0.000 1.065 3969 V CA 2.044 64.344 62.300 -0.000 0.000 1.086 3969 V CB -0.628 31.193 31.823 -0.003 0.000 0.700 3969 V HN 0.542 nan 8.190 nan 0.000 0.467 3970 D N 1.079 121.477 120.400 -0.003 0.000 2.097 3970 D HA -0.241 4.399 4.640 0.000 0.000 0.195 3970 D C 1.681 177.980 176.300 -0.002 0.000 0.989 3970 D CA 2.056 56.054 54.000 -0.004 0.000 0.827 3970 D CB -0.059 40.739 40.800 -0.003 0.000 0.966 3970 D HN 0.509 nan 8.370 nan 0.000 0.456 3971 D N 0.338 120.739 120.400 0.001 0.000 2.144 3971 D HA -0.067 4.573 4.640 0.000 0.000 0.200 3971 D C 2.010 178.312 176.300 0.002 0.000 0.978 3971 D CA 1.132 55.134 54.000 0.003 0.000 0.833 3971 D CB -0.440 40.363 40.800 0.005 0.000 0.961 3971 D HN 0.266 nan 8.370 nan 0.000 0.470 3972 A N 0.663 123.484 122.820 0.002 0.000 1.908 3972 A HA -0.152 4.168 4.320 0.000 0.000 0.218 3972 A C 2.507 180.090 177.584 -0.001 0.000 1.181 3972 A CA 1.290 53.328 52.037 0.001 0.000 0.627 3972 A CB -0.784 18.217 19.000 0.001 0.000 0.818 3972 A HN 0.151 nan 8.150 nan 0.000 0.445 3973 V N -0.112 119.800 119.914 -0.003 0.000 2.427 3973 V HA -0.165 3.955 4.120 0.000 0.000 0.248 3973 V C 2.803 178.894 176.094 -0.004 0.000 1.051 3973 V CA 1.858 64.155 62.300 -0.005 0.000 1.048 3973 V CB -1.414 30.405 31.823 -0.008 0.000 0.666 3973 V HN 0.626 nan 8.190 nan 0.000 0.456 3974 G N 0.585 109.383 108.800 -0.003 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 1.701 176.600 174.900 -0.001 0.000 1.168 3974 G CA 1.632 46.731 45.100 -0.002 0.000 0.771 3974 G HN 0.601 nan 8.290 nan 0.000 0.551 3975 V N -1.537 118.378 119.914 0.000 0.000 2.719 3975 V HA 0.029 4.149 4.120 0.000 0.000 0.252 3975 V C 2.613 178.707 176.094 0.000 0.000 1.065 3975 V CA 1.212 63.513 62.300 0.001 0.000 1.086 3975 V CB -0.302 31.523 31.823 0.003 0.000 0.700 3975 V HN 0.130 nan 8.190 nan 0.000 0.467 3976 V N 2.092 122.005 119.914 -0.001 0.000 2.358 3976 V HA -0.032 4.089 4.120 0.000 0.000 0.246 3976 V C 2.918 179.011 176.094 -0.003 0.000 1.047 3976 V CA 2.247 64.546 62.300 -0.002 0.000 1.035 3976 V CB -1.333 30.488 31.823 -0.003 0.000 0.658 3976 V HN 0.613 nan 8.190 nan 0.000 0.452 3977 G N -1.264 107.535 108.800 -0.003 0.000 2.422 3977 G HA2 -0.255 3.705 3.960 0.000 0.000 0.218 3977 G HA3 -0.255 3.705 3.960 0.000 0.000 0.218 3977 G C 1.707 176.606 174.900 -0.002 0.000 1.146 3977 G CA 1.293 46.391 45.100 -0.003 0.000 0.769 3977 G HN 0.536 nan 8.290 nan 0.000 0.547 3978 C N 0.250 119.549 119.300 -0.001 0.000 2.440 3978 C HA 0.024 4.484 4.460 0.000 0.000 0.278 3978 C C 3.147 178.137 174.990 -0.000 0.000 1.295 3978 C CA 1.482 60.500 59.018 -0.000 0.000 1.738 3978 C CB -0.810 26.931 27.740 0.001 0.000 1.987 3978 C HN 0.405 nan 8.230 nan 0.000 0.492 3979 T N 0.709 115.263 114.554 -0.001 0.000 3.043 3979 T HA 0.113 4.463 4.350 0.000 0.000 0.263 3979 T C 1.567 176.266 174.700 -0.001 0.000 1.094 3979 T CA 0.737 62.837 62.100 -0.001 0.000 1.127 3979 T CB -0.122 68.745 68.868 -0.001 0.000 0.905 3979 T HN 0.468 nan 8.240 nan 0.000 0.490 3980 I N 0.762 121.331 120.570 -0.002 0.000 2.333 3980 I HA -0.048 4.122 4.170 0.000 0.000 0.246 3980 I C 2.454 178.570 176.117 -0.002 0.000 1.106 3980 I CA 1.210 62.509 61.300 -0.002 0.000 1.411 3980 I CB -0.116 37.882 38.000 -0.003 0.000 1.082 3980 I HN 0.254 nan 8.210 nan 0.000 0.420 3981 E N 0.063 120.262 120.200 -0.002 0.000 2.122 3981 E HA -0.056 4.294 4.350 0.000 0.000 0.190 3981 E C -0.072 176.527 176.600 -0.001 0.000 0.977 3981 E CA 0.659 57.058 56.400 -0.002 0.000 0.820 3981 E CB 0.269 29.968 29.700 -0.002 0.000 0.770 3981 E HN 0.347 nan 8.360 nan 0.000 0.462 3982 D N 0.164 120.564 120.400 -0.001 0.000 2.446 3982 D HA 0.128 4.768 4.640 0.000 0.000 0.251 3982 D C -0.088 176.211 176.300 -0.000 0.000 1.137 3982 D CA -0.099 53.901 54.000 -0.001 0.000 0.890 3982 D CB 1.437 42.237 40.800 0.000 0.000 1.071 3982 D HN 0.092 nan 8.370 nan 0.000 0.528 3983 G N 2.258 111.058 108.800 -0.001 0.000 3.340 3983 G HA2 -0.051 3.909 3.960 0.000 0.000 0.240 3983 G HA3 -0.051 3.909 3.960 0.000 0.000 0.240 3983 G C 0.613 175.513 174.900 -0.000 0.000 1.327 3983 G CA -0.147 44.952 45.100 -0.001 0.000 1.170 3983 G HN 0.080 nan 8.290 nan 0.000 0.520 3984 R N 0.354 120.855 120.500 0.000 0.000 2.494 3984 R HA 0.568 4.908 4.340 0.000 0.000 0.305 3984 R C -0.102 176.200 176.300 0.002 0.000 0.959 3984 R CA -0.644 55.457 56.100 0.001 0.000 0.864 3984 R CB 1.755 32.056 30.300 0.001 0.000 1.159 3984 R HN 0.388 nan 8.270 nan 0.000 0.446 3985 I N -1.265 119.307 120.570 0.003 0.000 3.002 3985 I HA 0.809 4.979 4.170 0.000 0.000 0.310 3985 I C -0.183 175.938 176.117 0.007 0.000 1.087 3985 I CA -1.301 60.002 61.300 0.005 0.000 1.017 3985 I CB 2.446 40.448 38.000 0.004 0.000 1.226 3985 I HN 0.301 nan 8.210 nan 0.000 0.443 3986 V N -0.295 119.625 119.914 0.010 0.000 3.078 3986 V HA 0.673 4.793 4.120 0.000 0.000 0.311 3986 V C 0.093 176.198 176.094 0.018 0.000 1.138 3986 V CA -0.582 61.727 62.300 0.015 0.000 1.007 3986 V CB 1.178 33.011 31.823 0.017 0.000 1.045 3986 V HN 1.026 nan 8.190 nan 0.000 0.432 3987 S N 1.509 117.223 115.700 0.024 0.000 2.562 3987 S HA 0.646 5.116 4.470 0.000 0.000 0.281 3987 S C 0.559 175.179 174.600 0.034 0.000 1.333 3987 S CA 0.170 58.388 58.200 0.029 0.000 1.052 3987 S CB 0.845 64.065 63.200 0.035 0.000 0.884 3987 S HN 1.792 nan 8.310 nan 0.000 0.506 3988 G N 0.370 109.191 108.800 0.035 0.000 2.630 3988 G HA2 0.543 4.503 3.960 0.000 0.000 0.223 3988 G HA3 0.543 4.503 3.960 0.000 0.000 0.223 3988 G C 0.913 175.839 174.900 0.043 0.000 1.434 3988 G CA -0.550 44.572 45.100 0.037 0.000 1.057 3988 G HN 2.030 nan 8.290 nan 0.000 0.570 3989 G N -1.992 106.835 108.800 0.045 0.000 2.179 3989 G HA2 0.236 4.196 3.960 0.000 0.000 0.257 3989 G HA3 0.236 4.196 3.960 0.000 0.000 0.257 3989 G C 1.467 176.381 174.900 0.025 0.000 1.010 3989 G CA 1.177 46.303 45.100 0.044 0.000 0.736 3989 G HN 2.472 nan 8.290 nan 0.000 0.513 3990 G N -1.361 107.447 108.800 0.012 0.000 2.162 3990 G HA2 -0.123 3.837 3.960 0.000 0.000 0.260 3990 G HA3 -0.123 3.837 3.960 0.000 0.000 0.260 3990 G C 1.467 176.358 174.900 -0.015 0.000 0.976 3990 G CA 1.687 46.780 45.100 -0.012 0.000 0.655 3990 G HN 1.952 nan 8.290 nan 0.000 0.533 3991 S N 0.034 115.752 115.700 0.029 0.000 2.370 3991 S HA -0.164 4.306 4.470 0.000 0.000 0.226 3991 S C 2.796 177.428 174.600 0.053 0.000 1.033 3991 S CA 2.765 61.015 58.200 0.083 0.000 1.011 3991 S CB -0.553 62.732 63.200 0.142 0.000 0.852 3991 S HN 1.320 nan 8.310 nan 0.000 0.457 3992 T N 0.104 114.678 114.554 0.033 0.000 2.595 3992 T HA -0.090 4.260 4.350 0.000 0.000 0.264 3992 T C 1.605 176.293 174.700 -0.021 0.000 1.058 3992 T CA 1.596 63.709 62.100 0.022 0.000 1.166 3992 T CB -1.021 67.856 68.868 0.014 0.000 0.863 3992 T HN 0.349 nan 8.240 nan 0.000 0.415 3993 E N 0.899 121.074 120.200 -0.042 0.000 2.171 3993 E HA -0.069 4.281 4.350 0.000 0.000 0.197 3993 E C 2.275 178.811 176.600 -0.107 0.000 0.997 3993 E CA 0.850 57.209 56.400 -0.068 0.000 0.810 3993 E CB -0.828 28.826 29.700 -0.076 0.000 0.738 3993 E HN 0.437 nan 8.360 nan 0.000 0.467 3994 V N 0.407 120.218 119.914 -0.172 0.000 2.379 3994 V HA -0.216 3.904 4.120 0.000 0.000 0.245 3994 V C 2.279 178.148 176.094 -0.375 0.000 1.044 3994 V CA 1.839 63.950 62.300 -0.314 0.000 1.036 3994 V CB -0.426 31.102 31.823 -0.492 0.000 0.664 3994 V HN 0.223 nan 8.190 nan 0.000 0.453 3995 E N 0.428 120.439 120.200 -0.315 0.000 2.085 3995 E HA -0.225 4.125 4.350 0.000 0.000 0.194 3995 E C 1.878 178.488 176.600 0.016 0.000 0.994 3995 E CA 1.472 57.875 56.400 0.004 0.000 0.801 3995 E CB -0.337 29.475 29.700 0.186 0.000 0.743 3995 E HN 0.364 nan 8.360 nan 0.000 0.453 3996 L N 0.583 121.801 121.223 -0.008 0.000 2.056 3996 L HA -0.108 4.232 4.340 0.000 0.000 0.207 3996 L C 2.555 179.444 176.870 0.032 0.000 1.078 3996 L CA 2.019 56.872 54.840 0.021 0.000 0.749 3996 L CB -1.155 40.922 42.059 0.029 0.000 0.901 3996 L HN 0.311 nan 8.230 nan 0.000 0.433 3997 S N -1.904 113.792 115.700 -0.007 0.000 2.423 3997 S HA -0.165 4.305 4.470 0.000 0.000 0.231 3997 S C 1.954 176.567 174.600 0.021 0.000 1.014 3997 S CA 0.842 59.045 58.200 0.005 0.000 0.965 3997 S CB -0.309 62.867 63.200 -0.040 0.000 0.785 3997 S HN 0.253 nan 8.310 nan 0.000 0.495 3998 M N 1.537 121.141 119.600 0.007 0.000 2.064 3998 M HA 0.065 4.545 4.480 0.000 0.000 0.260 3998 M C 2.180 178.519 176.300 0.065 0.000 1.073 3998 M CA 1.411 56.734 55.300 0.039 0.000 1.124 3998 M CB -0.935 31.702 32.600 0.062 0.000 1.326 3998 M HN 0.257 nan 8.290 nan 0.000 0.410 3999 K N 0.614 121.055 120.400 0.067 0.000 2.155 3999 K HA 0.065 4.385 4.320 0.000 0.000 0.203 3999 K C 2.024 178.688 176.600 0.108 0.000 1.052 3999 K CA 0.870 57.202 56.287 0.075 0.000 0.948 3999 K CB -0.482 32.048 32.500 0.050 0.000 0.728 3999 K HN 0.389 nan 8.250 nan 0.000 0.448 4000 L N 0.150 121.439 121.223 0.110 0.000 2.313 4000 L HA -0.031 4.309 4.340 0.000 0.000 0.214 4000 L C 2.385 179.377 176.870 0.203 0.000 1.119 4000 L CA 0.648 55.597 54.840 0.180 0.000 0.809 4000 L CB -0.185 41.980 42.059 0.177 0.000 0.933 4000 L HN 0.097 nan 8.230 nan 0.000 0.449 4001 R N 0.106 120.687 120.500 0.134 0.000 2.090 4001 R HA -0.124 4.216 4.340 0.000 0.000 0.228 4001 R C 2.053 178.408 176.300 0.092 0.000 1.110 4001 R CA 1.169 57.331 56.100 0.102 0.000 0.973 4001 R CB -0.078 30.264 30.300 0.070 0.000 0.869 4001 R HN 0.421 nan 8.270 nan 0.000 0.440 4002 E N -0.468 119.794 120.200 0.103 0.000 2.107 4002 E HA -0.194 4.156 4.350 0.000 0.000 0.191 4002 E C 1.549 178.215 176.600 0.110 0.000 0.982 4002 E CA 0.798 57.252 56.400 0.089 0.000 0.809 4002 E CB -0.087 29.664 29.700 0.085 0.000 0.756 4002 E HN 0.298 nan 8.360 nan 0.000 0.459 4003 Y N 1.587 121.901 120.300 0.023 0.000 2.181 4003 Y HA -0.228 4.322 4.550 -0.000 0.000 0.288 4003 Y C 2.182 178.092 175.900 0.017 0.000 1.146 4003 Y CA 1.292 59.402 58.100 0.017 0.000 1.164 4003 Y CB -0.426 38.042 38.460 0.014 0.000 0.982 4003 Y HN -0.011 nan 8.280 nan 0.000 0.515 4004 A N 0.380 123.193 122.820 -0.012 0.000 1.883 4004 A HA -0.188 4.132 4.320 0.000 0.000 0.217 4004 A C 2.131 179.657 177.584 -0.096 0.000 1.186 4004 A CA 1.914 53.907 52.037 -0.073 0.000 0.624 4004 A CB -0.636 18.387 19.000 0.039 0.000 0.822 4004 A HN 0.518 nan 8.150 nan 0.000 0.444 4005 E N -0.471 119.703 120.200 -0.044 0.000 2.110 4005 E HA -0.139 4.211 4.350 0.000 0.000 0.193 4005 E C 2.164 178.724 176.600 -0.066 0.000 0.988 4005 E CA 1.154 57.532 56.400 -0.037 0.000 0.804 4005 E CB -0.692 29.004 29.700 -0.006 0.000 0.745 4005 E HN 0.599 nan 8.360 nan 0.000 0.458 4006 G N 1.476 110.220 108.800 -0.094 0.000 2.402 4006 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 4006 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 4006 G C 1.607 176.412 174.900 -0.157 0.000 1.162 4006 G CA 0.339 45.375 45.100 -0.106 0.000 0.777 4006 G HN 0.116 nan 8.290 nan 0.000 0.539 4007 I N 0.339 120.751 120.570 -0.264 0.000 2.202 4007 I HA -0.011 4.160 4.170 0.000 0.000 0.242 4007 I C 1.706 177.742 176.117 -0.135 0.000 1.091 4007 I CA 1.136 62.286 61.300 -0.249 0.000 1.368 4007 I CB -1.167 36.620 38.000 -0.354 0.000 1.058 4007 I HN 0.324 nan 8.210 nan 0.000 0.410 4008 S N -1.226 114.408 115.700 -0.110 0.000 3.513 4008 S HA -0.105 4.365 4.470 0.000 0.000 0.636 4008 S C 0.714 175.282 174.600 -0.055 0.000 2.452 4008 S CA 1.398 59.559 58.200 -0.065 0.000 2.644 4008 S CB -1.362 61.807 63.200 -0.051 0.000 0.331 4008 S HN 1.473 nan 8.310 nan 0.000 1.787 4009 G N 0.745 109.523 108.800 -0.037 0.000 2.575 4009 G HA2 -0.260 3.700 3.960 0.000 0.000 0.267 4009 G HA3 -0.260 3.700 3.960 0.000 0.000 0.267 4009 G C 0.089 174.976 174.900 -0.023 0.000 1.264 4009 G CA 1.098 46.181 45.100 -0.029 0.000 0.935 4009 G HN 1.197 nan 8.290 nan 0.000 0.568 4010 R N 0.564 121.052 120.500 -0.019 0.000 2.240 4010 R HA 0.249 4.589 4.340 0.000 0.000 0.203 4010 R C 2.411 178.703 176.300 -0.013 0.000 1.011 4010 R CA 1.554 57.647 56.100 -0.012 0.000 1.007 4010 R CB -0.311 29.984 30.300 -0.008 0.000 0.911 4010 R HN 0.620 nan 8.270 nan 0.000 0.468 4011 E N 0.397 120.583 120.200 -0.024 0.000 2.153 4011 E HA -0.181 4.169 4.350 0.000 0.000 0.194 4011 E C 1.703 178.293 176.600 -0.017 0.000 0.988 4011 E CA 0.838 57.223 56.400 -0.025 0.000 0.811 4011 E CB -0.088 29.586 29.700 -0.043 0.000 0.746 4011 E HN 0.191 nan 8.360 nan 0.000 0.466 4012 Q N 0.575 120.358 119.800 -0.029 0.000 2.170 4012 Q HA -0.144 4.196 4.340 0.000 0.000 0.203 4012 Q C 1.988 178.003 176.000 0.024 0.000 0.976 4012 Q CA 1.093 56.884 55.803 -0.019 0.000 0.858 4012 Q CB -0.061 28.659 28.738 -0.030 0.000 0.907 4012 Q HN 0.385 nan 8.270 nan 0.000 0.433 4013 L N 0.039 121.277 121.223 0.024 0.000 2.056 4013 L HA -0.124 4.216 4.340 0.000 0.000 0.207 4013 L C 2.626 179.546 176.870 0.083 0.000 1.078 4013 L CA 1.145 56.011 54.840 0.043 0.000 0.749 4013 L CB -0.681 41.394 42.059 0.025 0.000 0.901 4013 L HN 0.156 nan 8.230 nan 0.000 0.433 4014 A N -0.389 122.475 122.820 0.073 0.000 1.898 4014 A HA -0.105 4.215 4.320 0.000 0.000 0.216 4014 A C 2.316 180.079 177.584 0.298 0.000 1.181 4014 A CA 1.443 53.553 52.037 0.122 0.000 0.620 4014 A CB -0.706 18.281 19.000 -0.022 0.000 0.819 4014 A HN 0.178 nan 8.150 nan 0.000 0.442 4015 V N 0.024 120.059 119.914 0.202 0.000 2.427 4015 V HA -0.203 3.917 4.120 0.000 0.000 0.248 4015 V C 2.651 178.895 176.094 0.249 0.000 1.051 4015 V CA 2.246 64.685 62.300 0.233 0.000 1.048 4015 V CB -0.786 31.123 31.823 0.144 0.000 0.666 4015 V HN 0.615 nan 8.190 nan 0.000 0.456 4016 R N 1.173 121.777 120.500 0.173 0.000 2.081 4016 R HA -0.079 4.261 4.340 0.000 0.000 0.235 4016 R C 2.146 178.537 176.300 0.151 0.000 1.131 4016 R CA 1.892 58.075 56.100 0.138 0.000 0.960 4016 R CB -0.930 29.423 30.300 0.088 0.000 0.856 4016 R HN 0.439 nan 8.270 nan 0.000 0.436 4017 A N -0.471 122.465 122.820 0.192 0.000 1.902 4017 A HA -0.125 4.195 4.320 0.000 0.000 0.217 4017 A C 2.176 179.858 177.584 0.163 0.000 1.181 4017 A CA 1.364 53.514 52.037 0.190 0.000 0.623 4017 A CB -0.849 18.309 19.000 0.264 0.000 0.818 4017 A HN 0.485 nan 8.150 nan 0.000 0.443 4018 F N 0.930 120.929 119.950 0.081 0.000 2.075 4018 F HA -0.090 4.438 4.527 0.000 0.000 0.297 4018 F C 2.557 178.310 175.800 -0.080 0.000 1.113 4018 F CA 1.491 59.410 58.000 -0.135 0.000 1.218 4018 F CB -0.344 38.594 39.000 -0.102 0.000 0.984 4018 F HN 0.250 nan 8.300 nan 0.000 0.472 4019 A N -0.139 122.821 122.820 0.233 0.000 1.940 4019 A HA -0.212 4.108 4.320 0.000 0.000 0.219 4019 A C 1.878 179.454 177.584 -0.014 0.000 1.176 4019 A CA 2.110 54.222 52.037 0.126 0.000 0.631 4019 A CB -0.953 18.142 19.000 0.158 0.000 0.814 4019 A HN 0.471 nan 8.150 nan 0.000 0.446 4020 D N -0.195 120.199 120.400 -0.010 0.000 2.183 4020 D HA 0.067 4.707 4.640 0.000 0.000 0.203 4020 D C 2.170 178.414 176.300 -0.093 0.000 0.969 4020 D CA 1.223 55.201 54.000 -0.036 0.000 0.842 4020 D CB -0.391 40.406 40.800 -0.004 0.000 0.957 4020 D HN 0.414 nan 8.370 nan 0.000 0.484 4021 A N 0.732 123.459 122.820 -0.156 0.000 1.972 4021 A HA -0.119 4.201 4.320 0.000 0.000 0.219 4021 A C 2.242 179.683 177.584 -0.239 0.000 1.169 4021 A CA 0.794 52.701 52.037 -0.216 0.000 0.635 4021 A CB -0.730 18.071 19.000 -0.333 0.000 0.810 4021 A HN 0.235 nan 8.150 nan 0.000 0.446 4022 L N -0.419 120.643 121.223 -0.269 0.000 2.265 4022 L HA -0.122 4.218 4.340 0.000 0.000 0.215 4022 L C 1.962 178.747 176.870 -0.142 0.000 1.117 4022 L CA 0.735 55.441 54.840 -0.223 0.000 0.782 4022 L CB -0.467 41.470 42.059 -0.203 0.000 0.914 4022 L HN 0.316 nan 8.230 nan 0.000 0.441 4023 E N -0.227 119.903 120.200 -0.117 0.000 2.478 4023 E HA -0.115 4.235 4.350 0.000 0.000 0.198 4023 E C 2.180 178.732 176.600 -0.079 0.000 1.046 4023 E CA 0.515 56.863 56.400 -0.088 0.000 0.870 4023 E CB -0.076 29.582 29.700 -0.070 0.000 0.818 4023 E HN 0.293 nan 8.360 nan 0.000 0.527 4024 V N 0.979 120.839 119.914 -0.090 0.000 2.594 4024 V HA -0.203 3.917 4.120 0.000 0.000 0.253 4024 V C 1.818 177.871 176.094 -0.068 0.000 1.069 4024 V CA 0.956 63.210 62.300 -0.076 0.000 1.082 4024 V CB -0.191 31.582 31.823 -0.084 0.000 0.680 4024 V HN 0.132 nan 8.190 nan 0.000 0.469 4025 I N 0.553 121.079 120.570 -0.073 0.000 2.235 4025 I HA -0.017 4.153 4.170 0.000 0.000 0.241 4025 I C 0.197 176.283 176.117 -0.052 0.000 1.085 4025 I CA 1.367 62.630 61.300 -0.062 0.000 1.378 4025 I CB -2.823 35.138 38.000 -0.064 0.000 1.076 4025 I HN 0.319 nan 8.210 nan 0.000 0.415 4026 P HA -0.170 nan 4.420 nan 0.000 0.216 4026 P C 1.849 179.124 177.300 -0.042 0.000 1.150 4026 P CA 1.573 64.646 63.100 -0.045 0.000 0.843 4026 P CB -0.163 31.508 31.700 -0.050 0.000 0.787 4027 R N -0.227 120.245 120.500 -0.046 0.000 2.073 4027 R HA -0.108 4.232 4.340 0.000 0.000 0.234 4027 R C 1.953 178.228 176.300 -0.041 0.000 1.134 4027 R CA 2.332 58.407 56.100 -0.042 0.000 0.952 4027 R CB -0.847 29.427 30.300 -0.043 0.000 0.850 4027 R HN 0.242 nan 8.270 nan 0.000 0.433 4028 T N -0.945 113.582 114.554 -0.044 0.000 3.043 4028 T HA -0.055 4.295 4.350 0.000 0.000 0.263 4028 T C 1.779 176.451 174.700 -0.046 0.000 1.094 4028 T CA 0.544 62.617 62.100 -0.044 0.000 1.127 4028 T CB -0.097 68.744 68.868 -0.044 0.000 0.905 4028 T HN 0.174 nan 8.240 nan 0.000 0.490 4029 L N 1.877 123.072 121.223 -0.047 0.000 2.027 4029 L HA 0.277 4.617 4.340 0.000 0.000 0.206 4029 L C 2.771 179.607 176.870 -0.056 0.000 1.074 4029 L CA 1.891 56.700 54.840 -0.052 0.000 0.745 4029 L CB -1.169 40.863 42.059 -0.046 0.000 0.898 4029 L HN 0.314 nan 8.230 nan 0.000 0.433 4030 A N -1.096 121.696 122.820 -0.046 0.000 1.929 4030 A HA -0.190 4.130 4.320 0.000 0.000 0.216 4030 A C 2.297 179.856 177.584 -0.043 0.000 1.176 4030 A CA 1.372 53.383 52.037 -0.044 0.000 0.628 4030 A CB -0.669 18.311 19.000 -0.033 0.000 0.816 4030 A HN 0.596 nan 8.150 nan 0.000 0.444 4031 E N 0.160 120.336 120.200 -0.040 0.000 2.038 4031 E HA -0.250 4.100 4.350 0.000 0.000 0.195 4031 E C 1.584 178.160 176.600 -0.040 0.000 1.000 4031 E CA 1.550 57.928 56.400 -0.036 0.000 0.803 4031 E CB -0.153 29.526 29.700 -0.034 0.000 0.750 4031 E HN 0.537 nan 8.360 nan 0.000 0.448 4032 N N 0.208 118.880 118.700 -0.046 0.000 2.309 4032 N HA -0.092 4.648 4.740 0.000 0.000 0.182 4032 N C 1.413 176.887 175.510 -0.060 0.000 1.018 4032 N CA 1.108 54.128 53.050 -0.050 0.000 0.876 4032 N CB -0.296 38.160 38.487 -0.053 0.000 0.972 4032 N HN 0.235 nan 8.380 nan 0.000 0.434 4033 A N 0.030 122.808 122.820 -0.069 0.000 2.119 4033 A HA 0.267 4.587 4.320 0.000 0.000 0.217 4033 A C 1.532 179.079 177.584 -0.061 0.000 1.153 4033 A CA 1.148 53.135 52.037 -0.082 0.000 0.692 4033 A CB -0.513 18.431 19.000 -0.094 0.000 0.799 4033 A HN 0.335 nan 8.150 nan 0.000 0.458 4034 G N -1.595 107.176 108.800 -0.047 0.000 2.137 4034 G HA2 -0.195 3.765 3.960 0.000 0.000 0.237 4034 G HA3 -0.195 3.765 3.960 0.000 0.000 0.237 4034 G C -0.021 174.861 174.900 -0.030 0.000 1.002 4034 G CA 0.353 45.431 45.100 -0.036 0.000 0.702 4034 G HN 0.459 nan 8.290 nan 0.000 0.515 4035 L N 0.071 121.274 121.223 -0.032 0.000 2.352 4035 L HA 0.478 4.818 4.340 0.000 0.000 0.269 4035 L C 0.476 177.333 176.870 -0.022 0.000 1.034 4035 L CA -1.110 53.715 54.840 -0.026 0.000 0.806 4035 L CB 0.964 43.006 42.059 -0.028 0.000 1.244 4035 L HN 0.090 nan 8.230 nan 0.000 0.447 4036 D N 1.111 121.500 120.400 -0.017 0.000 2.363 4036 D HA 0.060 4.700 4.640 0.000 0.000 0.263 4036 D C 0.785 177.075 176.300 -0.016 0.000 1.258 4036 D CA 0.222 54.213 54.000 -0.015 0.000 0.907 4036 D CB 1.715 42.509 40.800 -0.011 0.000 1.107 4036 D HN 0.649 nan 8.370 nan 0.000 0.495 4037 A N 5.420 128.229 122.820 -0.019 0.000 1.917 4037 A HA -0.205 4.115 4.320 0.000 0.000 0.219 4037 A C 2.107 179.681 177.584 -0.018 0.000 1.182 4037 A CA 0.971 52.996 52.037 -0.021 0.000 0.633 4037 A CB -0.209 18.777 19.000 -0.022 0.000 0.819 4037 A HN 0.704 nan 8.150 nan 0.000 0.448 4038 I N -0.327 120.234 120.570 -0.014 0.000 2.193 4038 I HA -0.105 4.065 4.170 0.000 0.000 0.240 4038 I C 2.379 178.491 176.117 -0.009 0.000 1.084 4038 I CA 1.136 62.429 61.300 -0.011 0.000 1.365 4038 I CB -1.614 36.380 38.000 -0.009 0.000 1.064 4038 I HN 0.311 nan 8.210 nan 0.000 0.410 4039 E N 0.716 120.912 120.200 -0.007 0.000 2.110 4039 E HA -0.145 4.205 4.350 0.000 0.000 0.193 4039 E C 2.303 178.902 176.600 -0.003 0.000 0.988 4039 E CA 0.918 57.315 56.400 -0.004 0.000 0.804 4039 E CB -0.085 29.613 29.700 -0.003 0.000 0.745 4039 E HN 0.348 nan 8.360 nan 0.000 0.458 4040 I N 0.604 121.170 120.570 -0.006 0.000 2.163 4040 I HA -0.224 3.946 4.170 0.000 0.000 0.240 4040 I C 2.326 178.440 176.117 -0.005 0.000 1.081 4040 I CA 0.777 62.074 61.300 -0.005 0.000 1.353 4040 I CB -0.955 37.038 38.000 -0.011 0.000 1.054 4040 I HN 0.118 nan 8.210 nan 0.000 0.407 4041 L N 0.110 121.327 121.223 -0.010 0.000 2.083 4041 L HA -0.151 4.189 4.340 0.000 0.000 0.209 4041 L C 2.548 179.414 176.870 -0.007 0.000 1.083 4041 L CA 1.314 56.145 54.840 -0.014 0.000 0.752 4041 L CB -0.982 41.065 42.059 -0.020 0.000 0.899 4041 L HN 0.001 nan 8.230 nan 0.000 0.433 4042 V N -1.229 118.684 119.914 -0.003 0.000 2.323 4042 V HA -0.222 3.898 4.120 0.000 0.000 0.244 4042 V C 2.504 178.604 176.094 0.010 0.000 1.041 4042 V CA 1.318 63.620 62.300 0.003 0.000 1.025 4042 V CB -0.381 31.444 31.823 0.003 0.000 0.656 4042 V HN 0.285 nan 8.190 nan 0.000 0.451 4043 K N -0.081 120.325 120.400 0.010 0.000 2.148 4043 K HA -0.050 4.270 4.320 0.000 0.000 0.204 4043 K C 1.887 178.503 176.600 0.026 0.000 1.050 4043 K CA 0.954 57.250 56.287 0.016 0.000 0.942 4043 K CB -0.530 31.977 32.500 0.013 0.000 0.724 4043 K HN 0.305 nan 8.250 nan 0.000 0.446 4044 V N 0.550 120.479 119.914 0.025 0.000 2.323 4044 V HA -0.169 3.951 4.120 0.000 0.000 0.244 4044 V C 2.140 178.271 176.094 0.063 0.000 1.041 4044 V CA 1.537 63.861 62.300 0.040 0.000 1.025 4044 V CB -0.305 31.532 31.823 0.023 0.000 0.656 4044 V HN 0.244 nan 8.190 nan 0.000 0.451 4045 R N 0.091 120.611 120.500 0.034 0.000 2.096 4045 R HA -0.103 4.237 4.340 0.000 0.000 0.235 4045 R C 2.418 178.764 176.300 0.077 0.000 1.127 4045 R CA 1.423 57.547 56.100 0.040 0.000 0.968 4045 R CB -0.546 29.755 30.300 0.001 0.000 0.861 4045 R HN 0.535 nan 8.270 nan 0.000 0.440 4046 A N 1.249 124.100 122.820 0.052 0.000 1.877 4046 A HA -0.100 4.220 4.320 0.000 0.000 0.216 4046 A C 2.364 179.979 177.584 0.053 0.000 1.186 4046 A CA 1.672 53.737 52.037 0.046 0.000 0.620 4046 A CB -0.586 18.432 19.000 0.029 0.000 0.822 4046 A HN 0.387 nan 8.150 nan 0.000 0.443 4047 A N -1.203 121.651 122.820 0.056 0.000 1.930 4047 A HA -0.143 4.177 4.320 0.000 0.000 0.217 4047 A C 1.991 179.607 177.584 0.053 0.000 1.175 4047 A CA 2.009 54.074 52.037 0.046 0.000 0.627 4047 A CB -0.832 18.194 19.000 0.044 0.000 0.815 4047 A HN 0.773 nan 8.150 nan 0.000 0.443 4048 H N -0.249 118.825 119.070 0.006 0.000 2.321 4048 H HA 0.046 4.602 4.556 0.000 0.000 0.300 4048 H C 2.206 177.538 175.328 0.008 0.000 1.087 4048 H CA 1.975 58.027 56.048 0.007 0.000 1.319 4048 H CB -0.135 29.631 29.762 0.006 0.000 1.379 4048 H HN 0.400 nan 8.280 nan 0.000 0.501 4049 A N -0.785 122.123 122.820 0.147 0.000 1.930 4049 A HA -0.141 4.179 4.320 0.000 0.000 0.217 4049 A C 2.529 180.124 177.584 0.019 0.000 1.175 4049 A CA 1.752 53.843 52.037 0.090 0.000 0.627 4049 A CB -0.906 18.148 19.000 0.091 0.000 0.815 4049 A HN 0.497 nan 8.150 nan 0.000 0.443 4050 S N -0.411 115.296 115.700 0.011 0.000 2.341 4050 S HA -0.088 4.382 4.470 0.000 0.000 0.216 4050 S C 1.857 176.442 174.600 -0.025 0.000 1.034 4050 S CA 1.256 59.454 58.200 -0.002 0.000 0.964 4050 S CB -0.349 62.855 63.200 0.006 0.000 0.882 4050 S HN 0.609 nan 8.310 nan 0.000 0.469 4051 N N 0.737 119.414 118.700 -0.039 0.000 2.368 4051 N HA 0.291 5.031 4.740 0.000 0.000 0.176 4051 N C 1.012 176.463 175.510 -0.097 0.000 1.021 4051 N CA 1.004 54.022 53.050 -0.053 0.000 0.888 4051 N CB 0.226 38.690 38.487 -0.039 0.000 0.995 4051 N HN 0.599 nan 8.380 nan 0.000 0.437 4052 G N 0.762 109.452 108.800 -0.183 0.000 2.373 4052 G HA2 -0.204 3.756 3.960 0.000 0.000 0.634 4052 G HA3 -0.204 3.756 3.960 0.000 0.000 0.634 4052 G C -0.199 174.412 174.900 -0.483 0.000 1.267 4052 G CA 0.008 44.929 45.100 -0.298 0.000 1.008 4052 G HN 0.320 nan 8.290 nan 0.000 0.497 4053 N N -0.715 117.734 118.700 -0.418 0.000 2.412 4053 N HA 0.121 4.861 4.740 0.000 0.000 0.184 4053 N C 1.272 176.748 175.510 -0.057 0.000 1.101 4053 N CA 1.039 53.948 53.050 -0.236 0.000 0.881 4053 N CB 0.327 38.808 38.487 -0.011 0.000 0.969 4053 N HN 0.368 nan 8.380 nan 0.000 0.459 4054 K N -0.288 120.069 120.400 -0.072 0.000 2.358 4054 K HA 0.286 4.606 4.320 0.000 0.000 0.200 4054 K C -0.420 176.161 176.600 -0.031 0.000 1.030 4054 K CA -0.007 56.261 56.287 -0.032 0.000 1.097 4054 K CB 0.311 32.794 32.500 -0.027 0.000 0.862 4054 K HN 0.203 nan 8.250 nan 0.000 0.534 4055 C N 1.184 120.453 119.300 -0.051 0.000 3.206 4055 C HA 0.724 5.184 4.460 0.000 0.000 0.206 4055 C C 0.501 175.477 174.990 -0.024 0.000 1.836 4055 C CA -0.714 58.283 59.018 -0.035 0.000 1.382 4055 C CB -0.604 27.108 27.740 -0.047 0.000 2.405 4055 C HN 0.424 nan 8.230 nan 0.000 0.516 4056 A N 0.057 122.882 122.820 0.007 0.000 3.963 4056 A HA 0.966 5.286 4.320 0.000 0.000 0.283 4056 A C 0.048 177.675 177.584 0.071 0.000 1.085 4056 A CA 0.332 52.401 52.037 0.053 0.000 0.591 4056 A CB -0.170 18.887 19.000 0.095 0.000 1.632 4056 A HN 2.013 nan 8.150 nan 0.000 0.761 4057 G N -2.005 106.855 108.800 0.100 0.000 2.787 4057 G HA2 0.359 4.319 3.960 0.000 0.000 0.685 4057 G HA3 0.359 4.319 3.960 0.000 0.000 0.685 4057 G C -0.699 174.233 174.900 0.054 0.000 1.437 4057 G CA -0.016 45.128 45.100 0.073 0.000 0.872 4057 G HN 2.092 nan 8.290 nan 0.000 0.566 4058 L N 1.031 122.279 121.223 0.042 0.000 2.276 4058 L HA 0.601 4.941 4.340 0.000 0.000 0.286 4058 L C 0.592 177.494 176.870 0.054 0.000 1.061 4058 L CA -0.667 54.193 54.840 0.034 0.000 0.807 4058 L CB 1.272 43.337 42.059 0.011 0.000 1.177 4058 L HN 0.698 nan 8.230 nan 0.000 0.429 4059 N N 4.233 122.973 118.700 0.066 0.000 2.699 4059 N HA 0.109 4.849 4.740 0.000 0.000 0.232 4059 N C 0.925 176.484 175.510 0.082 0.000 1.027 4059 N CA -0.127 52.994 53.050 0.119 0.000 0.920 4059 N CB 1.136 39.700 38.487 0.128 0.000 1.148 4059 N HN 0.703 nan 8.380 nan 0.000 0.509 4060 V N 1.617 121.534 119.914 0.007 0.000 2.913 4060 V HA -0.075 4.045 4.120 0.000 0.000 0.260 4060 V C 1.514 177.523 176.094 -0.140 0.000 1.098 4060 V CA 1.014 63.248 62.300 -0.110 0.000 1.121 4060 V CB -1.132 30.560 31.823 -0.220 0.000 0.714 4060 V HN 0.408 nan 8.190 nan 0.000 0.487 4061 F N 2.695 122.645 119.950 -0.001 0.000 2.134 4061 F HA -0.096 4.431 4.527 0.000 0.000 0.299 4061 F C 2.772 178.572 175.800 -0.001 0.000 1.097 4061 F CA 2.152 60.152 58.000 -0.001 0.000 1.264 4061 F CB -0.654 38.345 39.000 -0.001 0.000 1.001 4061 F HN 0.385 nan 8.300 nan 0.000 0.479 4062 T N -3.697 110.966 114.554 0.181 0.000 3.044 4062 T HA 0.373 4.723 4.350 0.000 0.000 0.250 4062 T C 1.497 176.228 174.700 0.051 0.000 1.081 4062 T CA 0.417 62.574 62.100 0.095 0.000 1.040 4062 T CB 0.179 69.094 68.868 0.077 0.000 0.962 4062 T HN 0.427 nan 8.240 nan 0.000 0.506 4063 G N 0.959 109.782 108.800 0.037 0.000 2.248 4063 G HA2 0.248 4.208 3.960 0.000 0.000 0.263 4063 G HA3 0.248 4.208 3.960 0.000 0.000 0.263 4063 G C 0.054 174.961 174.900 0.012 0.000 1.082 4063 G CA -0.227 44.877 45.100 0.007 0.000 0.863 4063 G HN 1.395 nan 8.290 nan 0.000 0.495 4064 A N -1.636 121.198 122.820 0.023 0.000 2.612 4064 A HA 0.891 5.211 4.320 0.000 0.000 0.293 4064 A C 0.040 177.641 177.584 0.029 0.000 1.075 4064 A CA 0.121 52.171 52.037 0.022 0.000 0.680 4064 A CB 1.533 20.546 19.000 0.023 0.000 1.279 4064 A HN 1.804 nan 8.150 nan 0.000 0.411 4065 V N 1.674 121.603 119.914 0.025 0.000 2.673 4065 V HA 0.434 4.554 4.120 0.000 0.000 0.303 4065 V C -0.044 176.070 176.094 0.032 0.000 1.046 4065 V CA 0.952 63.270 62.300 0.030 0.000 1.126 4065 V CB 0.457 32.297 31.823 0.029 0.000 0.934 4065 V HN 0.918 nan 8.190 nan 0.000 0.487 4066 E N 3.867 124.090 120.200 0.038 0.000 2.390 4066 E HA 0.383 4.733 4.350 0.000 0.000 0.242 4066 E C -1.478 175.141 176.600 0.031 0.000 0.907 4066 E CA -0.668 55.752 56.400 0.033 0.000 0.884 4066 E CB 0.844 30.568 29.700 0.040 0.000 1.788 4066 E HN 0.719 nan 8.360 nan 0.000 0.427 4067 D N 1.313 121.727 120.400 0.024 0.000 2.460 4067 D HA 0.186 4.826 4.640 0.000 0.000 0.232 4067 D C 0.799 177.111 176.300 0.020 0.000 1.079 4067 D CA -0.278 53.732 54.000 0.017 0.000 0.864 4067 D CB 0.676 41.480 40.800 0.006 0.000 1.048 4067 D HN 0.185 nan 8.370 nan 0.000 0.523 4068 M N 1.828 121.445 119.600 0.029 0.000 2.132 4068 M HA -0.120 4.360 4.480 0.000 0.000 0.263 4068 M C 2.339 178.650 176.300 0.017 0.000 1.065 4068 M CA 0.696 56.014 55.300 0.031 0.000 1.122 4068 M CB -1.200 31.425 32.600 0.043 0.000 1.365 4068 M HN 0.554 nan 8.290 nan 0.000 0.411 4069 C N 0.768 120.075 119.300 0.013 0.000 2.436 4069 C HA -0.187 4.273 4.460 0.000 0.000 0.277 4069 C C 2.686 177.675 174.990 -0.001 0.000 1.241 4069 C CA 1.692 60.713 59.018 0.005 0.000 1.721 4069 C CB -0.863 26.877 27.740 0.001 0.000 2.043 4069 C HN 0.582 nan 8.230 nan 0.000 0.472 4070 E N 1.067 121.266 120.200 -0.002 0.000 2.150 4070 E HA -0.108 4.242 4.350 0.000 0.000 0.193 4070 E C 1.658 178.252 176.600 -0.009 0.000 0.985 4070 E CA 1.370 57.767 56.400 -0.006 0.000 0.814 4070 E CB -0.468 29.229 29.700 -0.005 0.000 0.752 4070 E HN 0.645 nan 8.360 nan 0.000 0.466 4071 N N -0.228 118.468 118.700 -0.007 0.000 2.521 4071 N HA 0.035 4.775 4.740 0.000 0.000 0.188 4071 N C 0.660 176.154 175.510 -0.026 0.000 1.146 4071 N CA 0.962 54.002 53.050 -0.017 0.000 0.893 4071 N CB 0.470 38.950 38.487 -0.011 0.000 0.975 4071 N HN 0.306 nan 8.380 nan 0.000 0.451 4072 G N -0.133 108.657 108.800 -0.018 0.000 2.153 4072 G HA2 -0.264 3.696 3.960 0.000 0.000 0.252 4072 G HA3 -0.264 3.696 3.960 0.000 0.000 0.252 4072 G C -0.089 174.801 174.900 -0.017 0.000 0.994 4072 G CA 0.201 45.289 45.100 -0.019 0.000 0.698 4072 G HN 0.202 nan 8.290 nan 0.000 0.521 4073 V N 1.439 121.349 119.914 -0.006 0.000 2.267 4073 V HA 0.514 4.634 4.120 0.000 0.000 0.254 4073 V C 0.750 176.854 176.094 0.016 0.000 1.144 4073 V CA 0.077 62.382 62.300 0.008 0.000 0.992 4073 V CB 0.548 32.389 31.823 0.029 0.000 1.199 4073 V HN 1.035 nan 8.190 nan 0.000 0.493 4074 V N 1.792 121.712 119.914 0.011 0.000 3.007 4074 V HA 0.911 5.031 4.120 0.000 0.000 0.311 4074 V C -0.697 175.404 176.094 0.012 0.000 1.120 4074 V CA -0.743 61.564 62.300 0.012 0.000 0.980 4074 V CB 2.510 34.337 31.823 0.007 0.000 1.033 4074 V HN 0.688 nan 8.190 nan 0.000 0.429 4075 E N 1.719 121.926 120.200 0.012 0.000 2.393 4075 E HA 0.646 4.996 4.350 0.000 0.000 0.273 4075 E C -3.273 173.332 176.600 0.008 0.000 0.918 4075 E CA -2.369 54.038 56.400 0.011 0.000 0.773 4075 E CB 2.050 31.758 29.700 0.013 0.000 1.275 4075 E HN 0.457 nan 8.360 nan 0.000 0.451 4076 P HA -0.020 nan 4.420 nan 0.000 0.266 4076 P C 0.805 178.108 177.300 0.005 0.000 1.195 4076 P CA -0.257 62.845 63.100 0.005 0.000 0.768 4076 P CB 0.452 32.154 31.700 0.003 0.000 0.838 4077 L N 4.446 125.672 121.223 0.005 0.000 2.046 4077 L HA -0.135 4.205 4.340 0.000 0.000 0.208 4077 L C 2.401 179.274 176.870 0.005 0.000 1.077 4077 L CA 1.791 56.634 54.840 0.005 0.000 0.747 4077 L CB -0.847 41.214 42.059 0.004 0.000 0.896 4077 L HN 0.294 nan 8.230 nan 0.000 0.432 4078 R N -0.970 119.532 120.500 0.004 0.000 2.117 4078 R HA -0.177 4.163 4.340 0.000 0.000 0.243 4078 R C 2.025 178.328 176.300 0.004 0.000 1.143 4078 R CA 1.988 58.090 56.100 0.003 0.000 0.968 4078 R CB -0.399 29.903 30.300 0.003 0.000 0.863 4078 R HN 0.378 nan 8.270 nan 0.000 0.444 4079 V N 1.286 121.202 119.914 0.004 0.000 2.332 4079 V HA -0.254 3.866 4.120 0.000 0.000 0.248 4079 V C 2.284 178.380 176.094 0.002 0.000 1.055 4079 V CA 1.850 64.152 62.300 0.003 0.000 1.038 4079 V CB -0.347 31.478 31.823 0.003 0.000 0.651 4079 V HN 0.309 nan 8.190 nan 0.000 0.450 4080 K N 0.230 120.632 120.400 0.003 0.000 2.186 4080 K HA -0.034 4.286 4.320 0.000 0.000 0.202 4080 K C 2.262 178.866 176.600 0.007 0.000 1.052 4080 K CA 1.651 57.940 56.287 0.003 0.000 0.965 4080 K CB -0.672 31.830 32.500 0.005 0.000 0.746 4080 K HN 0.718 nan 8.250 nan 0.000 0.457 4081 T N -1.214 113.345 114.554 0.008 0.000 2.978 4081 T HA -0.082 4.268 4.350 0.000 0.000 0.262 4081 T C 2.015 176.723 174.700 0.012 0.000 1.063 4081 T CA 0.696 62.802 62.100 0.010 0.000 1.140 4081 T CB 0.038 68.910 68.868 0.007 0.000 0.886 4081 T HN -0.047 nan 8.240 nan 0.000 0.470 4082 Q N 1.826 121.631 119.800 0.009 0.000 2.123 4082 Q HA 0.261 4.601 4.340 0.000 0.000 0.199 4082 Q C 2.408 178.414 176.000 0.011 0.000 0.966 4082 Q CA 1.606 57.415 55.803 0.009 0.000 0.845 4082 Q CB -0.923 27.818 28.738 0.006 0.000 0.907 4082 Q HN 0.623 nan 8.270 nan 0.000 0.439 4083 A N 0.573 123.397 122.820 0.007 0.000 1.883 4083 A HA -0.174 4.147 4.320 0.000 0.000 0.217 4083 A C 1.952 179.543 177.584 0.011 0.000 1.186 4083 A CA 1.588 53.627 52.037 0.002 0.000 0.624 4083 A CB -0.749 18.246 19.000 -0.008 0.000 0.822 4083 A HN 0.451 nan 8.150 nan 0.000 0.444 4084 I N -0.134 120.451 120.570 0.025 0.000 2.179 4084 I HA -0.263 3.907 4.170 0.000 0.000 0.242 4084 I C 2.660 178.819 176.117 0.069 0.000 1.088 4084 I CA 1.660 62.997 61.300 0.063 0.000 1.357 4084 I CB -1.633 36.413 38.000 0.077 0.000 1.051 4084 I HN 0.493 nan 8.210 nan 0.000 0.409 4085 Q N 0.201 120.027 119.800 0.043 0.000 1.993 4085 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 4085 Q C 2.464 178.488 176.000 0.040 0.000 0.984 4085 Q CA 2.200 58.026 55.803 0.037 0.000 0.837 4085 Q CB -0.168 28.584 28.738 0.023 0.000 0.902 4085 Q HN 0.376 nan 8.270 nan 0.000 0.423 4086 S N 0.502 116.220 115.700 0.030 0.000 2.383 4086 S HA -0.130 4.340 4.470 0.000 0.000 0.227 4086 S C 1.985 176.603 174.600 0.031 0.000 1.026 4086 S CA 0.926 59.142 58.200 0.027 0.000 0.981 4086 S CB -0.261 62.949 63.200 0.017 0.000 0.818 4086 S HN 0.477 nan 8.310 nan 0.000 0.472 4087 A N 1.630 124.467 122.820 0.028 0.000 1.873 4087 A HA 0.156 4.476 4.320 0.000 0.000 0.215 4087 A C 2.363 179.978 177.584 0.051 0.000 1.186 4087 A CA 1.647 53.697 52.037 0.022 0.000 0.616 4087 A CB -1.134 17.862 19.000 -0.007 0.000 0.823 4087 A HN 0.505 nan 8.150 nan 0.000 0.442 4088 A N -0.527 122.347 122.820 0.090 0.000 1.898 4088 A HA -0.119 4.201 4.320 0.000 0.000 0.216 4088 A C 1.943 179.602 177.584 0.125 0.000 1.181 4088 A CA 1.674 53.800 52.037 0.150 0.000 0.620 4088 A CB -0.369 18.747 19.000 0.195 0.000 0.819 4088 A HN 0.453 nan 8.150 nan 0.000 0.442 4089 E N 0.135 120.386 120.200 0.085 0.000 2.107 4089 E HA -0.056 4.295 4.350 0.000 0.000 0.191 4089 E C 2.242 178.881 176.600 0.065 0.000 0.982 4089 E CA 1.242 57.684 56.400 0.070 0.000 0.809 4089 E CB -0.421 29.308 29.700 0.049 0.000 0.756 4089 E HN 0.538 nan 8.360 nan 0.000 0.459 4090 S N 0.427 116.161 115.700 0.057 0.000 2.406 4090 S HA -0.055 4.415 4.470 0.000 0.000 0.228 4090 S C 2.039 176.675 174.600 0.060 0.000 1.020 4090 S CA 1.066 59.296 58.200 0.049 0.000 0.965 4090 S CB -0.109 63.113 63.200 0.036 0.000 0.798 4090 S HN 0.255 nan 8.310 nan 0.000 0.488 4091 T N 1.848 116.449 114.554 0.078 0.000 2.777 4091 T HA -0.085 4.265 4.350 0.000 0.000 0.266 4091 T C 1.847 176.624 174.700 0.128 0.000 1.040 4091 T CA 1.045 63.207 62.100 0.103 0.000 1.141 4091 T CB -0.253 68.694 68.868 0.130 0.000 0.868 4091 T HN 0.356 nan 8.240 nan 0.000 0.444 4092 E N 0.965 121.248 120.200 0.138 0.000 2.118 4092 E HA -0.155 4.195 4.350 0.000 0.000 0.195 4092 E C 2.167 178.812 176.600 0.074 0.000 0.992 4092 E CA 0.870 57.339 56.400 0.115 0.000 0.804 4092 E CB -0.268 29.496 29.700 0.107 0.000 0.741 4092 E HN 0.331 nan 8.360 nan 0.000 0.458 4093 M N 0.936 120.575 119.600 0.065 0.000 2.067 4093 M HA -0.164 4.316 4.480 0.000 0.000 0.260 4093 M C 2.495 178.824 176.300 0.049 0.000 1.069 4093 M CA 1.145 56.475 55.300 0.051 0.000 1.117 4093 M CB -0.861 31.766 32.600 0.046 0.000 1.334 4093 M HN 0.276 nan 8.290 nan 0.000 0.407 4094 L N 0.674 121.929 121.223 0.052 0.000 2.013 4094 L HA -0.264 4.076 4.340 0.000 0.000 0.212 4094 L C 2.284 179.180 176.870 0.043 0.000 1.073 4094 L CA 1.461 56.329 54.840 0.048 0.000 0.753 4094 L CB -0.393 41.692 42.059 0.044 0.000 0.890 4094 L HN 0.355 nan 8.230 nan 0.000 0.432 4095 L N -0.643 120.609 121.223 0.049 0.000 2.201 4095 L HA -0.190 4.150 4.340 0.000 0.000 0.212 4095 L C 2.720 179.603 176.870 0.021 0.000 1.105 4095 L CA 0.911 55.771 54.840 0.033 0.000 0.775 4095 L CB -0.523 41.561 42.059 0.042 0.000 0.913 4095 L HN 0.314 nan 8.230 nan 0.000 0.440 4096 R N 0.191 120.710 120.500 0.031 0.000 2.193 4096 R HA -0.017 4.323 4.340 0.000 0.000 0.213 4096 R C 0.629 176.946 176.300 0.028 0.000 1.055 4096 R CA 0.277 56.394 56.100 0.029 0.000 0.995 4096 R CB 0.305 30.625 30.300 0.034 0.000 0.893 4096 R HN 0.104 nan 8.270 nan 0.000 0.459 4097 I N 3.086 123.675 120.570 0.033 0.000 2.471 4097 I HA -0.022 4.148 4.170 0.000 0.000 0.286 4097 I C 0.189 176.327 176.117 0.035 0.000 1.079 4097 I CA 0.310 61.632 61.300 0.037 0.000 1.398 4097 I CB 1.122 39.150 38.000 0.047 0.000 1.403 4097 I HN 0.219 nan 8.210 nan 0.000 0.530 4098 D N 2.694 123.115 120.400 0.034 0.000 2.540 4098 D HA 0.152 4.792 4.640 0.000 0.000 0.229 4098 D C -0.207 176.120 176.300 0.045 0.000 1.250 4098 D CA -0.137 53.882 54.000 0.033 0.000 0.817 4098 D CB 0.461 41.272 40.800 0.018 0.000 1.060 4098 D HN 0.360 nan 8.370 nan 0.000 0.508 4099 D N 0.209 120.640 120.400 0.050 0.000 2.738 4099 D HA 0.265 4.905 4.640 0.000 0.000 0.218 4099 D C -1.647 174.685 176.300 0.054 0.000 1.345 4099 D CA -0.440 53.590 54.000 0.051 0.000 0.943 4099 D CB 1.999 42.817 40.800 0.031 0.000 1.514 4099 D HN -0.163 nan 8.370 nan 0.000 0.585 4100 V N 4.354 124.313 119.914 0.075 0.000 2.444 4100 V HA 0.554 4.674 4.120 0.000 0.000 0.294 4100 V C -0.135 175.975 176.094 0.026 0.000 1.022 4100 V CA -0.666 61.673 62.300 0.065 0.000 0.850 4100 V CB 1.543 33.431 31.823 0.108 0.000 0.992 4100 V HN 0.416 nan 8.190 nan 0.000 0.426 4101 I N 4.218 124.785 120.570 -0.005 0.000 2.382 4101 I HA 0.681 4.851 4.170 0.000 0.000 0.285 4101 I C 0.368 176.461 176.117 -0.040 0.000 1.007 4101 I CA -0.249 61.029 61.300 -0.037 0.000 1.142 4101 I CB 1.835 39.816 38.000 -0.031 0.000 1.289 4101 I HN 0.645 nan 8.210 nan 0.000 0.453 4102 A N 5.395 128.179 122.820 -0.061 0.000 2.394 4102 A HA 0.862 5.182 4.320 0.000 0.000 0.333 4102 A C 0.342 177.896 177.584 -0.049 0.000 1.397 4102 A CA -0.558 51.447 52.037 -0.053 0.000 0.884 4102 A CB 0.223 19.182 19.000 -0.067 0.000 1.147 4102 A HN 0.752 nan 8.150 nan 0.000 0.505 4103 A N 2.010 124.809 122.820 -0.035 0.000 2.425 4103 A HA 0.502 4.822 4.320 0.000 0.000 0.242 4103 A C 0.584 178.155 177.584 -0.022 0.000 1.077 4103 A CA -0.068 51.952 52.037 -0.029 0.000 0.781 4103 A CB 0.116 19.103 19.000 -0.021 0.000 1.020 4103 A HN 0.860 nan 8.150 nan 0.000 0.494 4104 E N 0.000 120.188 120.200 -0.020 0.000 2.725 4104 E HA 0.000 4.350 4.350 0.000 0.000 0.291 4104 E CA 0.000 56.392 56.400 -0.013 0.000 0.976 4104 E CB 0.000 29.692 29.700 -0.012 0.000 0.812 4104 E HN 0.000 nan 8.360 nan 0.000 0.440