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 2vfr_1_A DATA FIRST_RESID 0 DATA SEQUENCE FMSDITVTNW AGNITYTAKE LLRPHSLDAL RALVADSARV RVLGSGHSFN DATA SEQUENCE EIAEPGDGGV LLSLAGLPSV VDVDTAARTV RVGGGVRYAE LARVVHARGL DATA SEQUENCE ALPNMASLPH ISVAGSVATG THGSGVGNGS LASVVREVEL VTADGSTVVI DATA SEQUENCE ARGDERFGGA VTSLGALGVV TSLTLDLEPA YEMEQHVFTE LPLAGLDPAT DATA SEQUENCE FETVMAAAYS VSLFTDWRAP GFRQVWLKRR TDRPLDGFPY AAPAAEKMHP DATA SEQUENCE VPGMPAVNCT EQFGVPGPWH ERLPHFRAEF TPSSGAELQS EYLMPREHAL DATA SEQUENCE AALHAMDAIR ETLAPVLQTC EIRTVAADAQ WLSPAYGRDT VAAHFTWVED DATA SEQUENCE TAAVLPVVRR LEEALVPFAA RPHWGKVFTV PAGELRALYP RLADFGALAG DATA SEQUENCE ALDPAGKFTN AFVRGVLA 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 0 F HA 0.000 nan 4.527 nan 0.000 0.279 0 F C 0.000 175.801 175.800 0.001 0.000 0.967 0 F CA 0.000 58.000 58.000 -0.001 0.000 1.383 0 F CB 0.000 38.999 39.000 -0.002 0.000 1.145 1 M N 1.828 121.529 119.600 0.168 0.000 2.495 1 M HA 0.255 4.731 4.480 -0.008 0.000 0.237 1 M C 0.735 177.047 176.300 0.020 0.000 1.131 1 M CA 0.410 55.770 55.300 0.100 0.000 1.032 1 M CB -0.993 31.685 32.600 0.131 0.000 1.513 1 M HN 0.206 nan 8.290 nan 0.000 0.488 2 S N 0.611 116.309 115.700 -0.004 0.000 2.579 2 S HA 0.138 4.603 4.470 -0.008 0.000 0.275 2 S C -0.047 174.535 174.600 -0.030 0.000 1.345 2 S CA -0.698 57.495 58.200 -0.011 0.000 1.031 2 S CB 0.749 63.942 63.200 -0.012 0.000 0.892 2 S HN 0.207 nan 8.310 nan 0.000 0.529 3 D N 1.326 121.716 120.400 -0.017 0.000 2.488 3 D HA 0.291 4.927 4.640 -0.008 0.000 0.238 3 D C 0.410 176.694 176.300 -0.026 0.000 1.138 3 D CA 0.284 54.274 54.000 -0.017 0.000 0.873 3 D CB 0.105 40.901 40.800 -0.007 0.000 1.183 3 D HN 0.668 nan 8.370 nan 0.000 0.458 4 I N -2.194 118.360 120.570 -0.027 0.000 2.910 4 I HA 0.507 4.672 4.170 -0.008 0.000 0.310 4 I C -0.170 175.941 176.117 -0.009 0.000 1.043 4 I CA -0.825 60.459 61.300 -0.027 0.000 1.053 4 I CB 2.093 40.068 38.000 -0.041 0.000 1.242 4 I HN -0.055 nan 8.210 nan 0.000 0.452 5 T N 3.206 117.755 114.554 -0.009 0.000 2.767 5 T HA 0.551 4.896 4.350 -0.008 0.000 0.284 5 T C -0.307 174.403 174.700 0.016 0.000 0.973 5 T CA -0.411 61.690 62.100 0.001 0.000 0.996 5 T CB 1.374 70.234 68.868 -0.013 0.000 0.927 5 T HN 0.406 nan 8.240 nan 0.000 0.456 6 V N 4.281 124.229 119.914 0.056 0.000 2.417 6 V HA 0.711 4.827 4.120 -0.008 0.000 0.291 6 V C 0.536 176.719 176.094 0.149 0.000 1.024 6 V CA -0.815 61.558 62.300 0.122 0.000 0.861 6 V CB 1.443 33.368 31.823 0.171 0.000 0.985 6 V HN 1.106 nan 8.190 nan 0.000 0.436 7 T N 0.739 115.349 114.554 0.092 0.000 2.888 7 T HA 0.527 4.872 4.350 -0.008 0.000 0.288 7 T C -0.237 174.498 174.700 0.059 0.000 1.063 7 T CA -0.919 61.133 62.100 -0.081 0.000 1.010 7 T CB 1.924 70.719 68.868 -0.121 0.000 1.214 7 T HN 0.649 nan 8.240 nan 0.000 0.533 8 N N -0.388 118.252 118.700 -0.100 0.000 2.327 8 N HA 0.048 4.784 4.740 -0.008 0.000 0.257 8 N C 0.697 176.188 175.510 -0.031 0.000 1.281 8 N CA -0.898 52.160 53.050 0.013 0.000 0.942 8 N CB -0.064 38.379 38.487 -0.073 0.000 1.199 8 N HN 0.954 nan 8.380 nan 0.000 0.532 9 W N 0.356 121.480 121.300 -0.294 0.000 2.355 9 W HA 0.094 4.749 4.660 -0.008 0.000 0.309 9 W C 2.045 178.406 176.519 -0.263 0.000 1.206 9 W CA 2.498 59.633 57.345 -0.350 0.000 1.284 9 W CB -0.554 28.480 29.460 -0.710 0.000 1.145 9 W HN 0.664 nan 8.180 nan 0.000 0.502 10 A N 0.023 122.733 122.820 -0.182 0.000 2.167 10 A HA 0.277 4.593 4.320 -0.008 0.000 0.214 10 A C 1.922 179.394 177.584 -0.186 0.000 1.151 10 A CA 1.390 53.285 52.037 -0.236 0.000 0.735 10 A CB -1.217 17.849 19.000 0.110 0.000 0.802 10 A HN 0.998 nan 8.150 nan 0.000 0.467 11 G N 0.546 109.244 108.800 -0.170 0.000 2.184 11 G HA2 -0.380 3.576 3.960 -0.008 0.000 0.264 11 G HA3 -0.380 3.576 3.960 -0.008 0.000 0.264 11 G C 0.751 175.589 174.900 -0.103 0.000 0.975 11 G CA 0.778 45.792 45.100 -0.143 0.000 0.642 11 G HN 0.868 nan 8.290 nan 0.000 0.536 12 N N 0.099 118.764 118.700 -0.058 0.000 2.457 12 N HA 0.038 4.774 4.740 -0.008 0.000 0.180 12 N C 0.598 176.064 175.510 -0.075 0.000 1.050 12 N CA 0.798 53.833 53.050 -0.024 0.000 0.906 12 N CB 0.217 38.745 38.487 0.068 0.000 0.968 12 N HN 0.369 nan 8.380 nan 0.000 0.445 13 I N 1.750 122.225 120.570 -0.159 0.000 2.382 13 I HA 0.214 4.379 4.170 -0.008 0.000 0.286 13 I C -0.424 175.421 176.117 -0.453 0.000 1.002 13 I CA -0.362 60.768 61.300 -0.282 0.000 1.135 13 I CB 1.233 39.036 38.000 -0.329 0.000 1.288 13 I HN -0.191 nan 8.210 nan 0.000 0.448 14 T N 6.624 120.972 114.554 -0.344 0.000 2.743 14 T HA 0.460 4.805 4.350 -0.008 0.000 0.292 14 T C -0.161 174.367 174.700 -0.286 0.000 0.972 14 T CA -0.279 61.643 62.100 -0.297 0.000 0.967 14 T CB 0.286 69.074 68.868 -0.134 0.000 0.926 14 T HN 0.113 nan 8.240 nan 0.000 0.459 15 Y N 1.650 121.945 120.300 -0.008 0.000 2.314 15 Y HA 0.175 4.720 4.550 -0.008 0.000 0.334 15 Y C 2.377 178.275 175.900 -0.002 0.000 1.266 15 Y CA -0.604 57.494 58.100 -0.003 0.000 1.391 15 Y CB 0.303 38.760 38.460 -0.006 0.000 1.306 15 Y HN 0.713 nan 8.280 nan 0.000 0.558 16 T N -1.617 113.041 114.554 0.174 0.000 3.035 16 T HA 0.117 4.463 4.350 -0.008 0.000 0.268 16 T C 0.873 175.619 174.700 0.077 0.000 1.109 16 T CA 0.277 62.431 62.100 0.091 0.000 1.119 16 T CB -0.497 68.412 68.868 0.070 0.000 0.900 16 T HN 0.656 nan 8.240 nan 0.000 0.503 17 A N 1.698 124.575 122.820 0.096 0.000 2.511 17 A HA 0.376 4.692 4.320 -0.008 0.000 0.242 17 A C 1.142 178.753 177.584 0.045 0.000 1.069 17 A CA -0.449 51.620 52.037 0.052 0.000 0.763 17 A CB 0.312 19.330 19.000 0.030 0.000 1.001 17 A HN 0.197 nan 8.150 nan 0.000 0.498 18 K N 0.913 121.327 120.400 0.023 0.000 2.374 18 K HA 0.189 4.505 4.320 -0.008 0.000 0.196 18 K C 0.162 176.762 176.600 -0.000 0.000 1.023 18 K CA 0.496 56.791 56.287 0.013 0.000 1.103 18 K CB 0.420 32.925 32.500 0.008 0.000 0.848 18 K HN 0.854 nan 8.250 nan 0.000 0.528 19 E N 0.432 120.632 120.200 -0.000 0.000 2.366 19 E HA 0.242 4.588 4.350 -0.008 0.000 0.278 19 E C -1.734 174.860 176.600 -0.010 0.000 0.923 19 E CA -0.747 55.646 56.400 -0.012 0.000 0.761 19 E CB 1.591 31.283 29.700 -0.013 0.000 1.231 19 E HN -0.110 nan 8.360 nan 0.000 0.443 20 L N 5.224 126.439 121.223 -0.015 0.000 2.262 20 L HA 0.416 4.751 4.340 -0.008 0.000 0.288 20 L C -1.341 175.522 176.870 -0.012 0.000 1.035 20 L CA -0.260 54.569 54.840 -0.018 0.000 0.820 20 L CB 0.722 42.773 42.059 -0.014 0.000 1.204 20 L HN 0.525 nan 8.230 nan 0.000 0.424 21 L N 5.971 127.189 121.223 -0.009 0.000 2.360 21 L HA 0.393 4.728 4.340 -0.008 0.000 0.276 21 L C 0.303 177.180 176.870 0.011 0.000 1.121 21 L CA -0.108 54.736 54.840 0.006 0.000 0.845 21 L CB 0.453 42.517 42.059 0.009 0.000 1.143 21 L HN 0.602 nan 8.230 nan 0.000 0.452 22 R N 4.127 124.643 120.500 0.026 0.000 2.564 22 R HA 0.279 4.615 4.340 -0.008 0.000 0.282 22 R C -2.427 173.907 176.300 0.057 0.000 1.573 22 R CA -1.652 54.467 56.100 0.031 0.000 1.588 22 R CB 0.882 31.199 30.300 0.028 0.000 1.154 22 R HN 0.360 nan 8.270 nan 0.000 0.606 23 P HA -0.100 nan 4.420 nan 0.000 0.266 23 P C 0.116 177.424 177.300 0.014 0.000 1.195 23 P CA 0.290 63.403 63.100 0.022 0.000 0.768 23 P CB 0.587 32.263 31.700 -0.039 0.000 0.838 24 H N 0.231 119.310 119.070 0.016 0.000 2.544 24 H HA 0.134 4.686 4.556 -0.006 0.000 0.269 24 H C 0.127 175.462 175.328 0.011 0.000 0.970 24 H CA -0.007 56.050 56.048 0.015 0.000 1.219 24 H CB 0.200 29.973 29.762 0.018 0.000 1.421 24 H HN 0.430 nan 8.280 nan 0.000 0.555 25 S N -0.518 114.970 115.700 -0.354 0.000 2.579 25 S HA 0.316 4.782 4.470 -0.008 0.000 0.272 25 S C 0.734 175.233 174.600 -0.168 0.000 1.141 25 S CA -0.884 57.179 58.200 -0.228 0.000 0.843 25 S CB 1.692 64.731 63.200 -0.269 0.000 1.122 25 S HN 0.097 nan 8.310 nan 0.000 0.468 26 L N 0.858 122.026 121.223 -0.092 0.000 2.042 26 L HA -0.114 4.222 4.340 -0.008 0.000 0.210 26 L C 2.479 179.307 176.870 -0.070 0.000 1.076 26 L CA 2.251 57.053 54.840 -0.064 0.000 0.749 26 L CB -0.599 41.436 42.059 -0.039 0.000 0.893 26 L HN 0.962 nan 8.230 nan 0.000 0.432 27 D N -0.187 120.166 120.400 -0.078 0.000 2.116 27 D HA -0.233 4.402 4.640 -0.008 0.000 0.193 27 D C 2.123 178.374 176.300 -0.081 0.000 0.998 27 D CA 1.551 55.512 54.000 -0.064 0.000 0.836 27 D CB 0.098 40.867 40.800 -0.052 0.000 0.951 27 D HN 0.291 nan 8.370 nan 0.000 0.449 28 A N -0.221 122.506 122.820 -0.155 0.000 1.933 28 A HA -0.086 4.229 4.320 -0.008 0.000 0.218 28 A C 2.155 179.689 177.584 -0.084 0.000 1.175 28 A CA 1.382 53.330 52.037 -0.149 0.000 0.628 28 A CB -0.857 17.947 19.000 -0.326 0.000 0.814 28 A HN 0.412 nan 8.150 nan 0.000 0.444 29 L N -0.081 121.093 121.223 -0.082 0.000 2.056 29 L HA -0.112 4.224 4.340 -0.008 0.000 0.207 29 L C 2.413 179.277 176.870 -0.009 0.000 1.078 29 L CA 1.913 56.732 54.840 -0.035 0.000 0.749 29 L CB -0.577 41.462 42.059 -0.032 0.000 0.901 29 L HN 0.343 nan 8.230 nan 0.000 0.433 30 R N -0.345 120.147 120.500 -0.014 0.000 2.091 30 R HA -0.134 4.201 4.340 -0.008 0.000 0.238 30 R C 2.253 178.557 176.300 0.006 0.000 1.136 30 R CA 1.398 57.500 56.100 0.004 0.000 0.959 30 R CB -0.764 29.534 30.300 -0.003 0.000 0.856 30 R HN 0.545 nan 8.270 nan 0.000 0.437 31 A N 1.239 124.055 122.820 -0.006 0.000 1.898 31 A HA -0.141 4.175 4.320 -0.008 0.000 0.216 31 A C 2.100 179.685 177.584 0.001 0.000 1.181 31 A CA 0.983 53.019 52.037 -0.002 0.000 0.620 31 A CB -0.436 18.561 19.000 -0.004 0.000 0.819 31 A HN 0.232 nan 8.150 nan 0.000 0.442 32 L N -0.042 121.181 121.223 0.000 0.000 2.046 32 L HA -0.106 4.229 4.340 -0.008 0.000 0.208 32 L C 2.371 179.242 176.870 0.002 0.000 1.077 32 L CA 1.893 56.735 54.840 0.003 0.000 0.747 32 L CB -0.547 41.515 42.059 0.005 0.000 0.896 32 L HN 0.150 nan 8.230 nan 0.000 0.432 33 V N 0.073 119.999 119.914 0.020 0.000 2.295 33 V HA -0.284 3.831 4.120 -0.008 0.000 0.246 33 V C 2.806 178.898 176.094 -0.002 0.000 1.049 33 V CA 1.680 64.000 62.300 0.032 0.000 1.024 33 V CB -1.344 30.552 31.823 0.121 0.000 0.648 33 V HN 0.609 nan 8.190 nan 0.000 0.447 34 A N -0.152 122.674 122.820 0.010 0.000 1.940 34 A HA -0.245 4.070 4.320 -0.008 0.000 0.219 34 A C 1.849 179.422 177.584 -0.017 0.000 1.176 34 A CA 2.118 54.154 52.037 -0.001 0.000 0.631 34 A CB -0.521 18.483 19.000 0.007 0.000 0.814 34 A HN 0.569 nan 8.150 nan 0.000 0.446 35 D N -0.277 120.114 120.400 -0.016 0.000 2.349 35 D HA 0.113 4.748 4.640 -0.008 0.000 0.215 35 D C 0.049 176.332 176.300 -0.029 0.000 1.016 35 D CA 0.350 54.339 54.000 -0.018 0.000 0.870 35 D CB 0.151 40.946 40.800 -0.008 0.000 0.917 35 D HN 0.246 nan 8.370 nan 0.000 0.524 36 S N 0.001 115.673 115.700 -0.046 0.000 2.508 36 S HA 0.504 4.969 4.470 -0.008 0.000 0.284 36 S C 1.132 175.676 174.600 -0.093 0.000 1.192 36 S CA -0.554 57.608 58.200 -0.063 0.000 1.070 36 S CB 2.115 65.273 63.200 -0.070 0.000 1.004 36 S HN 0.142 nan 8.310 nan 0.000 0.493 37 A N 3.736 126.508 122.820 -0.080 0.000 1.929 37 A HA 0.096 4.411 4.320 -0.008 0.000 0.216 37 A C 0.836 178.342 177.584 -0.130 0.000 1.176 37 A CA 0.930 52.914 52.037 -0.088 0.000 0.628 37 A CB 0.062 19.028 19.000 -0.058 0.000 0.816 37 A HN 0.741 nan 8.150 nan 0.000 0.444 38 R N -1.500 118.919 120.500 -0.136 0.000 2.604 38 R HA 0.606 4.941 4.340 -0.008 0.000 0.281 38 R C -1.978 174.215 176.300 -0.180 0.000 1.020 38 R CA -0.488 55.511 56.100 -0.169 0.000 0.899 38 R CB 2.508 32.751 30.300 -0.095 0.000 1.205 38 R HN 0.044 nan 8.270 nan 0.000 0.450 39 V N 2.910 122.665 119.914 -0.265 0.000 2.841 39 V HA 0.606 4.721 4.120 -0.008 0.000 0.310 39 V C -0.520 175.558 176.094 -0.027 0.000 1.090 39 V CA -1.005 61.191 62.300 -0.173 0.000 0.930 39 V CB 2.276 33.952 31.823 -0.245 0.000 1.014 39 V HN 0.628 nan 8.190 nan 0.000 0.425 40 R N 1.870 122.382 120.500 0.019 0.000 2.795 40 R HA 0.740 5.076 4.340 -0.008 0.000 0.275 40 R C -1.439 174.869 176.300 0.014 0.000 0.981 40 R CA -0.755 55.377 56.100 0.054 0.000 0.917 40 R CB 2.370 32.660 30.300 -0.016 0.000 1.202 40 R HN 0.463 nan 8.270 nan 0.000 0.469 41 V N 2.484 122.405 119.914 0.010 0.000 2.472 41 V HA 0.355 4.470 4.120 -0.008 0.000 0.290 41 V C -0.170 175.874 176.094 -0.084 0.000 1.037 41 V CA -0.893 61.391 62.300 -0.027 0.000 0.908 41 V CB 1.602 33.417 31.823 -0.013 0.000 0.985 41 V HN 0.467 nan 8.190 nan 0.000 0.454 42 L N 4.460 125.623 121.223 -0.100 0.000 2.282 42 L HA 0.772 5.107 4.340 -0.008 0.000 0.288 42 L C 0.668 177.512 176.870 -0.043 0.000 1.033 42 L CA 0.694 55.470 54.840 -0.107 0.000 0.807 42 L CB 1.074 43.044 42.059 -0.147 0.000 1.209 42 L HN 0.708 nan 8.230 nan 0.000 0.423 43 G N 1.591 110.379 108.800 -0.020 0.000 3.372 43 G HA2 0.129 4.085 3.960 -0.008 0.000 0.178 43 G HA3 0.129 4.085 3.960 -0.008 0.000 0.178 43 G C 0.501 175.418 174.900 0.028 0.000 1.817 43 G CA 0.419 45.523 45.100 0.006 0.000 0.996 43 G HN 0.676 nan 8.290 nan 0.000 0.559 44 S N -0.728 115.006 115.700 0.056 0.000 2.634 44 S HA 0.367 4.832 4.470 -0.008 0.000 0.221 44 S C 1.616 176.263 174.600 0.078 0.000 0.952 44 S CA 0.879 59.132 58.200 0.088 0.000 0.930 44 S CB 0.216 63.491 63.200 0.126 0.000 0.780 44 S HN 2.076 nan 8.310 nan 0.000 0.498 45 G N 1.770 110.603 108.800 0.055 0.000 2.168 45 G HA2 -0.286 3.670 3.960 -0.008 0.000 0.257 45 G HA3 -0.286 3.670 3.960 -0.008 0.000 0.257 45 G C 0.288 175.133 174.900 -0.093 0.000 0.997 45 G CA 0.483 45.603 45.100 0.034 0.000 0.708 45 G HN 0.667 nan 8.290 nan 0.000 0.520 46 H N 0.752 119.767 119.070 -0.092 0.000 2.645 46 H HA 0.245 4.797 4.556 -0.007 0.000 0.300 46 H C 1.544 176.776 175.328 -0.160 0.000 1.065 46 H CA 0.903 56.822 56.048 -0.214 0.000 1.173 46 H CB -0.048 29.563 29.762 -0.252 0.000 1.383 46 H HN 0.664 nan 8.280 nan 0.000 0.566 47 S N -0.693 114.973 115.700 -0.056 0.000 2.672 47 S HA 0.294 4.760 4.470 -0.008 0.000 0.276 47 S C 0.184 174.661 174.600 -0.205 0.000 1.207 47 S CA -0.683 57.535 58.200 0.030 0.000 1.002 47 S CB 0.935 64.191 63.200 0.094 0.000 0.998 47 S HN 0.126 nan 8.310 nan 0.000 0.542 48 F N 0.922 120.969 119.950 0.162 0.000 2.724 48 F HA 0.339 4.862 4.527 -0.007 0.000 0.310 48 F C 0.436 176.304 175.800 0.113 0.000 1.107 48 F CA -0.684 57.404 58.000 0.148 0.000 1.218 48 F CB 0.069 39.180 39.000 0.184 0.000 1.042 48 F HN 0.722 nan 8.300 nan 0.000 0.540 49 N N -1.242 117.586 118.700 0.213 0.000 3.343 49 N HA 0.204 4.939 4.740 -0.008 0.000 0.330 49 N C -0.257 175.329 175.510 0.127 0.000 1.560 49 N CA -0.852 52.297 53.050 0.166 0.000 0.752 49 N CB 0.332 38.945 38.487 0.211 0.000 1.863 49 N HN -0.018 nan 8.380 nan 0.000 0.636 50 E N -0.307 119.994 120.200 0.167 0.000 2.311 50 E HA 0.215 4.560 4.350 -0.008 0.000 0.198 50 E C 0.634 177.289 176.600 0.091 0.000 1.115 50 E CA -0.179 56.327 56.400 0.178 0.000 1.140 50 E CB -0.275 29.540 29.700 0.192 0.000 1.204 50 E HN 0.472 nan 8.360 nan 0.000 0.446 51 I N 0.688 121.131 120.570 -0.211 0.000 2.286 51 I HA -0.247 3.918 4.170 -0.008 0.000 0.248 51 I C 1.943 177.934 176.117 -0.210 0.000 1.115 51 I CA 1.016 61.943 61.300 -0.621 0.000 1.392 51 I CB 0.190 37.639 38.000 -0.919 0.000 1.065 51 I HN 0.142 nan 8.210 nan 0.000 0.418 52 A N -0.343 122.444 122.820 -0.055 0.000 2.275 52 A HA 0.011 4.327 4.320 -0.008 0.000 0.212 52 A C 0.833 178.336 177.584 -0.135 0.000 1.201 52 A CA -0.066 51.901 52.037 -0.116 0.000 0.843 52 A CB -0.320 18.551 19.000 -0.215 0.000 0.873 52 A HN 0.420 nan 8.150 nan 0.000 0.492 53 E N 1.551 121.800 120.200 0.081 0.000 2.257 53 E HA 0.184 4.530 4.350 -0.008 0.000 0.278 53 E C -1.912 174.725 176.600 0.061 0.000 1.049 53 E CA -2.316 54.173 56.400 0.148 0.000 0.876 53 E CB 0.920 30.776 29.700 0.260 0.000 1.035 53 E HN 0.194 nan 8.360 nan 0.000 0.419 54 P HA 0.192 nan 4.420 nan 0.000 0.261 54 P C 0.062 177.377 177.300 0.025 0.000 1.268 54 P CA 0.473 63.578 63.100 0.009 0.000 0.833 54 P CB 0.204 31.888 31.700 -0.027 0.000 1.231 55 G N 0.905 109.735 108.800 0.049 0.000 2.758 55 G HA2 -0.159 3.796 3.960 -0.008 0.000 0.686 55 G HA3 -0.159 3.796 3.960 -0.008 0.000 0.686 55 G C -1.017 173.902 174.900 0.032 0.000 1.389 55 G CA -0.805 44.323 45.100 0.045 0.000 0.845 55 G HN 0.143 nan 8.290 nan 0.000 0.572 56 D N 0.877 121.295 120.400 0.030 0.000 2.493 56 D HA 0.401 5.037 4.640 -0.008 0.000 0.240 56 D C 1.556 177.863 176.300 0.011 0.000 1.142 56 D CA 2.161 56.174 54.000 0.022 0.000 0.872 56 D CB 0.707 41.518 40.800 0.020 0.000 1.173 56 D HN 1.927 nan 8.370 nan 0.000 0.467 57 G N 2.050 110.854 108.800 0.007 0.000 2.234 57 G HA2 -0.220 3.736 3.960 -0.008 0.000 0.260 57 G HA3 -0.220 3.736 3.960 -0.008 0.000 0.260 57 G C 0.758 175.652 174.900 -0.010 0.000 0.987 57 G CA 0.187 45.286 45.100 -0.001 0.000 0.625 57 G HN 0.813 nan 8.290 nan 0.000 0.532 58 G N -0.671 108.123 108.800 -0.010 0.000 2.503 58 G HA2 0.569 4.524 3.960 -0.008 0.000 0.257 58 G HA3 0.569 4.524 3.960 -0.008 0.000 0.257 58 G C 0.011 174.895 174.900 -0.027 0.000 1.214 58 G CA 0.250 45.335 45.100 -0.025 0.000 0.839 58 G HN 0.925 nan 8.290 nan 0.000 0.559 59 V N 1.999 121.888 119.914 -0.042 0.000 2.432 59 V HA 0.264 4.380 4.120 -0.008 0.000 0.275 59 V C -0.076 175.991 176.094 -0.046 0.000 1.043 59 V CA -0.580 61.697 62.300 -0.038 0.000 0.925 59 V CB 1.212 33.011 31.823 -0.038 0.000 0.985 59 V HN 0.560 nan 8.190 nan 0.000 0.466 60 L N 7.759 128.950 121.223 -0.053 0.000 2.280 60 L HA 0.701 5.036 4.340 -0.008 0.000 0.287 60 L C -0.557 176.277 176.870 -0.059 0.000 1.023 60 L CA -0.061 54.726 54.840 -0.087 0.000 0.819 60 L CB 1.144 43.115 42.059 -0.146 0.000 1.212 60 L HN 0.649 nan 8.230 nan 0.000 0.420 61 L N 2.593 123.790 121.223 -0.044 0.000 2.323 61 L HA 0.954 5.289 4.340 -0.008 0.000 0.265 61 L C -0.360 176.494 176.870 -0.026 0.000 1.012 61 L CA -0.466 54.362 54.840 -0.021 0.000 0.820 61 L CB 1.868 43.929 42.059 0.003 0.000 1.334 61 L HN 0.480 nan 8.230 nan 0.000 0.427 62 S N 0.471 116.162 115.700 -0.015 0.000 2.599 62 S HA 0.640 5.106 4.470 -0.008 0.000 0.287 62 S C 0.296 174.893 174.600 -0.005 0.000 1.105 62 S CA -0.773 57.419 58.200 -0.014 0.000 0.899 62 S CB 1.300 64.493 63.200 -0.012 0.000 1.100 62 S HN 0.795 nan 8.310 nan 0.000 0.482 63 L N 2.722 123.941 121.223 -0.007 0.000 2.612 63 L HA 0.264 4.599 4.340 -0.008 0.000 0.230 63 L C 2.272 179.143 176.870 0.001 0.000 1.140 63 L CA 0.395 55.232 54.840 -0.006 0.000 0.896 63 L CB -0.534 41.517 42.059 -0.013 0.000 1.065 63 L HN 0.824 nan 8.230 nan 0.000 0.447 64 A N 0.469 123.292 122.820 0.005 0.000 2.121 64 A HA -0.033 4.282 4.320 -0.008 0.000 0.218 64 A C 2.211 179.806 177.584 0.018 0.000 1.154 64 A CA 1.388 53.431 52.037 0.011 0.000 0.679 64 A CB -0.561 18.445 19.000 0.011 0.000 0.795 64 A HN 0.433 nan 8.150 nan 0.000 0.458 65 G N -0.992 107.822 108.800 0.025 0.000 2.777 65 G HA2 0.334 4.289 3.960 -0.008 0.000 0.211 65 G HA3 0.334 4.289 3.960 -0.008 0.000 0.211 65 G C 0.524 175.450 174.900 0.043 0.000 1.149 65 G CA -0.136 44.990 45.100 0.043 0.000 0.785 65 G HN 0.392 nan 8.290 nan 0.000 0.536 66 L N 0.831 122.067 121.223 0.022 0.000 2.379 66 L HA 0.367 4.702 4.340 -0.008 0.000 0.269 66 L C -2.092 174.786 176.870 0.013 0.000 1.084 66 L CA -2.076 52.772 54.840 0.013 0.000 0.802 66 L CB 1.245 43.302 42.059 -0.003 0.000 1.175 66 L HN -0.139 nan 8.230 nan 0.000 0.448 67 P HA 0.031 nan 4.420 nan 0.000 0.265 67 P C -0.972 176.330 177.300 0.002 0.000 1.193 67 P CA 0.050 63.156 63.100 0.010 0.000 0.765 67 P CB 0.500 32.206 31.700 0.010 0.000 0.823 68 S N 1.752 117.454 115.700 0.002 0.000 2.404 68 S HA 0.349 4.815 4.470 -0.008 0.000 0.309 68 S C -0.090 174.508 174.600 -0.004 0.000 1.076 68 S CA -0.537 57.660 58.200 -0.004 0.000 1.095 68 S CB 0.187 63.386 63.200 -0.002 0.000 0.972 68 S HN 0.125 nan 8.310 nan 0.000 0.484 69 V N 4.141 124.050 119.914 -0.008 0.000 2.513 69 V HA 0.559 4.675 4.120 -0.008 0.000 0.299 69 V C -0.377 175.711 176.094 -0.010 0.000 1.035 69 V CA -0.660 61.636 62.300 -0.006 0.000 0.889 69 V CB 1.960 33.780 31.823 -0.005 0.000 0.988 69 V HN 0.573 nan 8.190 nan 0.000 0.440 70 V N 3.139 123.050 119.914 -0.004 0.000 2.439 70 V HA 0.375 4.490 4.120 -0.008 0.000 0.277 70 V C -1.025 175.070 176.094 0.002 0.000 1.008 70 V CA -0.413 61.885 62.300 -0.004 0.000 0.846 70 V CB 1.555 33.379 31.823 0.002 0.000 1.031 70 V HN 0.940 nan 8.190 nan 0.000 0.441 71 D N 4.060 124.459 120.400 -0.001 0.000 2.460 71 D HA 0.425 5.060 4.640 -0.008 0.000 0.232 71 D C -0.502 175.798 176.300 -0.000 0.000 1.079 71 D CA -0.126 53.874 54.000 -0.001 0.000 0.864 71 D CB 1.801 42.599 40.800 -0.003 0.000 1.048 71 D HN 0.247 nan 8.370 nan 0.000 0.523 72 V N 3.847 123.762 119.914 0.002 0.000 2.465 72 V HA 0.239 4.355 4.120 -0.008 0.000 0.279 72 V C 0.267 176.359 176.094 -0.004 0.000 1.045 72 V CA -0.620 61.680 62.300 0.001 0.000 0.938 72 V CB 1.526 33.351 31.823 0.004 0.000 0.986 72 V HN 0.505 nan 8.190 nan 0.000 0.467 73 D N 3.463 123.859 120.400 -0.007 0.000 2.427 73 D HA 0.178 4.813 4.640 -0.008 0.000 0.226 73 D C 1.255 177.548 176.300 -0.012 0.000 1.076 73 D CA 0.002 53.997 54.000 -0.009 0.000 0.849 73 D CB 1.928 42.721 40.800 -0.010 0.000 1.052 73 D HN 0.699 nan 8.370 nan 0.000 0.515 74 T N 1.167 115.713 114.554 -0.012 0.000 2.812 74 T HA -0.064 4.281 4.350 -0.008 0.000 0.264 74 T C 1.865 176.555 174.700 -0.016 0.000 1.042 74 T CA 0.948 63.039 62.100 -0.015 0.000 1.140 74 T CB -0.087 68.772 68.868 -0.015 0.000 0.870 74 T HN 0.267 nan 8.240 nan 0.000 0.445 75 A N 1.737 124.548 122.820 -0.014 0.000 1.930 75 A HA 0.445 4.760 4.320 -0.008 0.000 0.217 75 A C 2.668 180.242 177.584 -0.016 0.000 1.175 75 A CA 1.549 53.577 52.037 -0.015 0.000 0.627 75 A CB -1.156 17.837 19.000 -0.013 0.000 0.815 75 A HN 0.754 nan 8.150 nan 0.000 0.443 76 A N -1.346 121.464 122.820 -0.016 0.000 2.169 76 A HA 0.213 4.528 4.320 -0.008 0.000 0.212 76 A C 1.136 178.709 177.584 -0.019 0.000 1.153 76 A CA 0.527 52.553 52.037 -0.018 0.000 0.756 76 A CB -0.283 18.707 19.000 -0.017 0.000 0.813 76 A HN 0.494 nan 8.150 nan 0.000 0.471 77 R N 0.061 120.549 120.500 -0.020 0.000 3.264 77 R HA -0.140 4.196 4.340 -0.008 0.000 0.251 77 R C -0.284 176.004 176.300 -0.019 0.000 0.971 77 R CA 0.856 56.942 56.100 -0.023 0.000 0.658 77 R CB -2.733 27.551 30.300 -0.027 0.000 1.095 77 R HN 0.737 nan 8.270 nan 0.000 0.443 78 T N -4.001 110.544 114.554 -0.015 0.000 2.916 78 T HA 0.727 5.072 4.350 -0.008 0.000 0.292 78 T C -0.452 174.245 174.700 -0.005 0.000 1.064 78 T CA -0.760 61.335 62.100 -0.009 0.000 1.011 78 T CB 2.763 71.625 68.868 -0.010 0.000 1.152 78 T HN 0.081 nan 8.240 nan 0.000 0.510 79 V N 0.839 120.754 119.914 0.001 0.000 2.623 79 V HA 0.683 4.798 4.120 -0.008 0.000 0.304 79 V C -0.779 175.314 176.094 -0.000 0.000 1.054 79 V CA -0.997 61.305 62.300 0.002 0.000 0.882 79 V CB 1.824 33.653 31.823 0.010 0.000 1.002 79 V HN 1.082 nan 8.190 nan 0.000 0.424 80 R N 5.033 125.530 120.500 -0.004 0.000 2.255 80 R HA 0.785 5.121 4.340 -0.008 0.000 0.326 80 R C -1.640 174.652 176.300 -0.014 0.000 0.986 80 R CA -0.295 55.800 56.100 -0.008 0.000 0.847 80 R CB 1.571 31.867 30.300 -0.007 0.000 1.111 80 R HN 0.621 nan 8.270 nan 0.000 0.452 81 V N 3.064 122.964 119.914 -0.023 0.000 2.735 81 V HA 0.492 4.608 4.120 -0.008 0.000 0.310 81 V C 0.704 176.775 176.094 -0.038 0.000 1.061 81 V CA -1.063 61.215 62.300 -0.037 0.000 0.913 81 V CB 1.838 33.623 31.823 -0.065 0.000 1.005 81 V HN 0.954 nan 8.190 nan 0.000 0.428 82 G N 1.608 110.386 108.800 -0.036 0.000 2.554 82 G HA2 0.395 4.350 3.960 -0.008 0.000 0.238 82 G HA3 0.395 4.350 3.960 -0.008 0.000 0.238 82 G C 0.889 175.760 174.900 -0.048 0.000 1.259 82 G CA 0.191 45.270 45.100 -0.035 0.000 0.843 82 G HN 1.249 nan 8.290 nan 0.000 0.582 83 G N -0.382 108.393 108.800 -0.043 0.000 3.379 83 G HA2 0.381 4.336 3.960 -0.008 0.000 0.253 83 G HA3 0.381 4.336 3.960 -0.008 0.000 0.253 83 G C 0.895 175.771 174.900 -0.040 0.000 1.262 83 G CA 0.563 45.634 45.100 -0.047 0.000 0.959 83 G HN 1.007 nan 8.290 nan 0.000 0.524 84 G N -0.734 108.043 108.800 -0.037 0.000 2.989 84 G HA2 0.254 4.210 3.960 -0.008 0.000 0.221 84 G HA3 0.254 4.210 3.960 -0.008 0.000 0.221 84 G C 0.315 175.196 174.900 -0.032 0.000 1.050 84 G CA -0.041 45.043 45.100 -0.026 0.000 0.913 84 G HN 0.232 nan 8.290 nan 0.000 0.587 85 V N 1.819 121.702 119.914 -0.050 0.000 2.788 85 V HA 0.169 4.285 4.120 -0.008 0.000 0.307 85 V C 0.583 176.623 176.094 -0.090 0.000 1.069 85 V CA 0.278 62.542 62.300 -0.060 0.000 1.173 85 V CB 0.635 32.412 31.823 -0.076 0.000 0.925 85 V HN 0.285 nan 8.190 nan 0.000 0.492 86 R N 2.671 123.141 120.500 -0.051 0.000 2.643 86 R HA 0.336 4.672 4.340 -0.008 0.000 0.272 86 R C 0.381 176.649 176.300 -0.053 0.000 0.995 86 R CA -0.619 55.462 56.100 -0.031 0.000 1.032 86 R CB 0.794 31.130 30.300 0.061 0.000 1.126 86 R HN 0.638 nan 8.270 nan 0.000 0.505 87 Y N 0.790 121.093 120.300 0.005 0.000 2.274 87 Y HA -0.256 4.290 4.550 -0.007 0.000 0.290 87 Y C 2.333 178.236 175.900 0.005 0.000 1.145 87 Y CA 1.914 60.018 58.100 0.007 0.000 1.203 87 Y CB -0.141 38.308 38.460 -0.019 0.000 0.984 87 Y HN 0.805 nan 8.280 nan 0.000 0.533 88 A N -0.041 122.849 122.820 0.117 0.000 1.883 88 A HA -0.270 4.046 4.320 -0.008 0.000 0.217 88 A C 2.069 179.707 177.584 0.090 0.000 1.186 88 A CA 2.095 54.176 52.037 0.073 0.000 0.624 88 A CB -0.601 18.459 19.000 0.099 0.000 0.822 88 A HN 0.424 nan 8.150 nan 0.000 0.444 89 E N -0.046 120.204 120.200 0.083 0.000 2.072 89 E HA -0.109 4.237 4.350 -0.008 0.000 0.190 89 E C 1.884 178.515 176.600 0.051 0.000 0.982 89 E CA 1.079 57.516 56.400 0.061 0.000 0.803 89 E CB -0.444 29.283 29.700 0.044 0.000 0.755 89 E HN 0.524 nan 8.360 nan 0.000 0.453 90 L N -0.027 121.217 121.223 0.036 0.000 1.990 90 L HA -0.251 4.085 4.340 -0.008 0.000 0.213 90 L C 2.308 179.248 176.870 0.118 0.000 1.072 90 L CA 2.101 56.967 54.840 0.043 0.000 0.755 90 L CB -0.557 41.488 42.059 -0.024 0.000 0.889 90 L HN 0.283 nan 8.230 nan 0.000 0.432 91 A N -0.150 122.762 122.820 0.154 0.000 1.902 91 A HA -0.275 4.040 4.320 -0.008 0.000 0.217 91 A C 2.422 179.987 177.584 -0.032 0.000 1.181 91 A CA 1.832 53.956 52.037 0.146 0.000 0.623 91 A CB -0.724 18.274 19.000 -0.004 0.000 0.818 91 A HN 0.577 nan 8.150 nan 0.000 0.443 92 R N -0.331 120.174 120.500 0.007 0.000 2.080 92 R HA -0.134 4.202 4.340 -0.008 0.000 0.236 92 R C 1.952 178.289 176.300 0.062 0.000 1.137 92 R CA 2.127 58.245 56.100 0.031 0.000 0.943 92 R CB -0.475 29.869 30.300 0.072 0.000 0.846 92 R HN 0.313 nan 8.270 nan 0.000 0.431 93 V N 0.937 120.891 119.914 0.067 0.000 2.307 93 V HA -0.212 3.903 4.120 -0.008 0.000 0.245 93 V C 2.461 178.600 176.094 0.074 0.000 1.045 93 V CA 1.689 64.025 62.300 0.061 0.000 1.024 93 V CB -0.269 31.581 31.823 0.045 0.000 0.651 93 V HN 0.489 nan 8.190 nan 0.000 0.449 94 V N -1.025 118.955 119.914 0.111 0.000 2.427 94 V HA -0.278 3.838 4.120 -0.008 0.000 0.248 94 V C 2.375 178.561 176.094 0.153 0.000 1.051 94 V CA 2.514 64.884 62.300 0.117 0.000 1.048 94 V CB -1.188 30.709 31.823 0.122 0.000 0.666 94 V HN 0.637 nan 8.190 nan 0.000 0.456 95 H N 1.632 120.775 119.070 0.122 0.000 2.353 95 H HA 0.036 4.588 4.556 -0.008 0.000 0.300 95 H C 2.203 177.569 175.328 0.062 0.000 1.090 95 H CA 2.126 58.243 56.048 0.115 0.000 1.327 95 H CB -0.461 29.183 29.762 -0.196 0.000 1.383 95 H HN 0.519 nan 8.280 nan 0.000 0.508 96 A N 0.549 123.376 122.820 0.012 0.000 2.070 96 A HA -0.107 4.209 4.320 -0.008 0.000 0.220 96 A C 1.954 179.502 177.584 -0.059 0.000 1.159 96 A CA 1.194 53.208 52.037 -0.038 0.000 0.656 96 A CB -0.162 18.853 19.000 0.025 0.000 0.800 96 A HN 0.314 nan 8.150 nan 0.000 0.453 97 R N -1.026 119.450 120.500 -0.039 0.000 2.356 97 R HA 0.165 4.501 4.340 -0.008 0.000 0.234 97 R C 1.100 177.366 176.300 -0.058 0.000 0.929 97 R CA 0.613 56.691 56.100 -0.037 0.000 1.084 97 R CB -0.619 29.673 30.300 -0.014 0.000 1.105 97 R HN 0.759 nan 8.270 nan 0.000 0.515 98 G N 1.205 109.940 108.800 -0.108 0.000 2.147 98 G HA2 -0.266 3.690 3.960 -0.008 0.000 0.244 98 G HA3 -0.266 3.690 3.960 -0.008 0.000 0.244 98 G C 0.002 174.861 174.900 -0.069 0.000 1.005 98 G CA 0.248 45.284 45.100 -0.107 0.000 0.713 98 G HN 0.254 nan 8.290 nan 0.000 0.515 99 L N -1.109 120.080 121.223 -0.056 0.000 2.257 99 L HA 0.977 5.312 4.340 -0.008 0.000 0.257 99 L C 0.301 177.040 176.870 -0.217 0.000 1.033 99 L CA -0.718 54.062 54.840 -0.100 0.000 0.835 99 L CB 2.229 44.247 42.059 -0.068 0.000 1.398 99 L HN 0.621 nan 8.230 nan 0.000 0.429 100 A N 0.596 123.141 122.820 -0.457 0.000 2.608 100 A HA 0.707 5.023 4.320 -0.008 0.000 0.292 100 A C -1.580 175.578 177.584 -0.711 0.000 1.066 100 A CA -0.532 50.761 52.037 -1.239 0.000 0.676 100 A CB 1.226 19.171 19.000 -1.759 0.000 1.277 100 A HN 0.511 nan 8.150 nan 0.000 0.413 101 L N 1.642 122.392 121.223 -0.788 0.000 2.421 101 L HA 0.443 4.778 4.340 -0.008 0.000 0.263 101 L C -1.185 175.707 176.870 0.037 0.000 1.122 101 L CA -1.775 52.981 54.840 -0.140 0.000 0.804 101 L CB 1.327 43.481 42.059 0.158 0.000 1.150 101 L HN 0.631 nan 8.230 nan 0.000 0.457 102 P HA -0.004 nan 4.420 nan 0.000 0.231 102 P C -0.339 177.173 177.300 0.354 0.000 1.168 102 P CA 0.720 63.973 63.100 0.255 0.000 0.779 102 P CB 0.480 32.272 31.700 0.153 0.000 0.844 103 N N -1.511 117.342 118.700 0.255 0.000 2.961 103 N HA 0.462 5.197 4.740 -0.008 0.000 0.245 103 N C -1.467 174.105 175.510 0.104 0.000 1.404 103 N CA -0.609 52.561 53.050 0.200 0.000 0.880 103 N CB 1.509 40.047 38.487 0.084 0.000 1.461 103 N HN -0.281 nan 8.380 nan 0.000 0.510 104 M N 1.264 120.868 119.600 0.007 0.000 2.575 104 M HA 0.555 5.030 4.480 -0.008 0.000 0.284 104 M C -0.607 175.544 176.300 -0.249 0.000 1.253 104 M CA -0.624 54.571 55.300 -0.176 0.000 0.861 104 M CB 2.009 34.552 32.600 -0.095 0.000 1.733 104 M HN 0.606 nan 8.290 nan 0.000 0.462 105 A N 0.485 123.086 122.820 -0.365 0.000 2.267 105 A HA 0.432 4.747 4.320 -0.008 0.000 0.271 105 A C 1.132 178.506 177.584 -0.349 0.000 1.131 105 A CA 0.277 52.102 52.037 -0.352 0.000 0.818 105 A CB 0.037 18.831 19.000 -0.344 0.000 1.118 105 A HN 1.010 nan 8.150 nan 0.000 0.501 106 S N -0.878 114.599 115.700 -0.372 0.000 2.402 106 S HA -0.023 4.443 4.470 -0.008 0.000 0.229 106 S C 0.461 175.024 174.600 -0.061 0.000 1.021 106 S CA 1.354 59.316 58.200 -0.397 0.000 0.974 106 S CB -0.488 62.555 63.200 -0.262 0.000 0.800 106 S HN 0.886 nan 8.310 nan 0.000 0.484 107 L N 2.217 123.393 121.223 -0.078 0.000 2.376 107 L HA 0.511 4.846 4.340 -0.008 0.000 0.275 107 L C -2.301 174.429 176.870 -0.233 0.000 0.987 107 L CA -1.835 52.972 54.840 -0.055 0.000 0.828 107 L CB 2.214 44.189 42.059 -0.141 0.000 1.249 107 L HN -0.168 nan 8.230 nan 0.000 0.409 108 P HA 0.004 nan 4.420 nan 0.000 0.245 108 P C -0.023 177.126 177.300 -0.251 0.000 1.206 108 P CA 0.514 63.444 63.100 -0.284 0.000 0.781 108 P CB 0.113 31.636 31.700 -0.296 0.000 0.994 109 H N 0.786 119.803 119.070 -0.088 0.000 2.672 109 H HA 0.369 4.921 4.556 -0.007 0.000 0.262 109 H C 0.459 175.707 175.328 -0.133 0.000 1.577 109 H CA -0.097 55.900 56.048 -0.084 0.000 1.183 109 H CB -0.660 29.050 29.762 -0.087 0.000 1.546 109 H HN 0.238 nan 8.280 nan 0.000 0.502 110 I N 0.849 121.415 120.570 -0.006 0.000 2.582 110 I HA 0.097 4.262 4.170 -0.008 0.000 0.292 110 I C 0.454 176.625 176.117 0.091 0.000 1.066 110 I CA -1.027 60.264 61.300 -0.015 0.000 1.053 110 I CB 2.159 40.073 38.000 -0.142 0.000 1.241 110 I HN 0.118 nan 8.210 nan 0.000 0.421 111 S N 4.272 120.008 115.700 0.059 0.000 2.558 111 S HA 0.110 4.576 4.470 -0.008 0.000 0.288 111 S C 1.011 175.615 174.600 0.006 0.000 1.318 111 S CA -0.611 57.598 58.200 0.015 0.000 1.056 111 S CB 1.243 64.451 63.200 0.013 0.000 0.853 111 S HN 0.414 nan 8.310 nan 0.000 0.505 112 V N 4.055 123.877 119.914 -0.154 0.000 2.261 112 V HA -0.150 3.966 4.120 -0.008 0.000 0.246 112 V C 2.979 179.059 176.094 -0.024 0.000 1.047 112 V CA 2.303 64.470 62.300 -0.221 0.000 1.015 112 V CB -1.799 29.773 31.823 -0.418 0.000 0.642 112 V HN 1.053 nan 8.190 nan 0.000 0.446 113 A N 0.541 123.339 122.820 -0.037 0.000 1.902 113 A HA -0.096 4.219 4.320 -0.008 0.000 0.217 113 A C 2.397 179.987 177.584 0.009 0.000 1.181 113 A CA 1.998 54.024 52.037 -0.017 0.000 0.623 113 A CB -1.216 17.763 19.000 -0.035 0.000 0.818 113 A HN 0.543 nan 8.150 nan 0.000 0.443 114 G N -1.063 107.751 108.800 0.023 0.000 2.422 114 G HA2 -0.070 3.886 3.960 -0.008 0.000 0.218 114 G HA3 -0.070 3.886 3.960 -0.008 0.000 0.218 114 G C 1.787 176.740 174.900 0.088 0.000 1.140 114 G CA 1.212 46.338 45.100 0.044 0.000 0.775 114 G HN 0.476 nan 8.290 nan 0.000 0.545 115 S N 0.103 115.877 115.700 0.124 0.000 2.348 115 S HA -0.150 4.316 4.470 -0.008 0.000 0.221 115 S C 2.651 177.336 174.600 0.143 0.000 1.033 115 S CA 1.659 59.959 58.200 0.166 0.000 1.010 115 S CB -0.402 62.970 63.200 0.287 0.000 0.891 115 S HN 0.510 nan 8.310 nan 0.000 0.442 116 V N 0.262 120.248 119.914 0.120 0.000 2.809 116 V HA 0.164 4.280 4.120 -0.008 0.000 0.256 116 V C 2.118 178.233 176.094 0.035 0.000 1.080 116 V CA 1.192 63.540 62.300 0.080 0.000 1.102 116 V CB -1.273 30.589 31.823 0.066 0.000 0.705 116 V HN 0.383 nan 8.190 nan 0.000 0.475 117 A N 1.694 124.531 122.820 0.028 0.000 2.019 117 A HA -0.105 4.210 4.320 -0.008 0.000 0.219 117 A C 2.337 179.919 177.584 -0.004 0.000 1.164 117 A CA 2.381 54.408 52.037 -0.016 0.000 0.644 117 A CB -0.822 18.166 19.000 -0.021 0.000 0.805 117 A HN 0.851 nan 8.150 nan 0.000 0.449 118 T N -6.300 108.310 114.554 0.093 0.000 3.003 118 T HA 0.457 4.803 4.350 -0.008 0.000 0.261 118 T C 1.135 175.930 174.700 0.157 0.000 1.003 118 T CA 1.027 63.248 62.100 0.203 0.000 0.917 118 T CB 0.562 69.630 68.868 0.335 0.000 1.084 118 T HN 1.663 nan 8.240 nan 0.000 0.522 119 G N 1.311 110.159 108.800 0.080 0.000 2.138 119 G HA2 -0.188 3.767 3.960 -0.008 0.000 0.193 119 G HA3 -0.188 3.767 3.960 -0.008 0.000 0.193 119 G C 0.063 174.977 174.900 0.024 0.000 0.998 119 G CA -0.216 44.895 45.100 0.018 0.000 0.668 119 G HN 0.660 nan 8.290 nan 0.000 0.516 120 T N 1.181 115.796 114.554 0.101 0.000 2.946 120 T HA 0.489 4.834 4.350 -0.008 0.000 0.311 120 T C 0.262 175.008 174.700 0.076 0.000 1.063 120 T CA 1.346 63.530 62.100 0.140 0.000 1.139 120 T CB 0.453 69.382 68.868 0.102 0.000 0.994 120 T HN 1.093 nan 8.240 nan 0.000 0.547 121 H N -0.950 118.141 119.070 0.035 0.000 3.017 121 H HA 0.702 5.253 4.556 -0.007 0.000 0.346 121 H C 0.142 175.434 175.328 -0.060 0.000 1.286 121 H CA -1.011 55.026 56.048 -0.018 0.000 1.120 121 H CB 0.769 30.527 29.762 -0.006 0.000 1.860 121 H HN 0.658 nan 8.280 nan 0.000 0.542 122 G N -0.251 108.525 108.800 -0.040 0.000 3.075 122 G HA2 0.477 4.433 3.960 -0.008 0.000 0.156 122 G HA3 0.477 4.433 3.960 -0.008 0.000 0.156 122 G C -0.694 174.265 174.900 0.098 0.000 1.403 122 G CA -0.243 44.819 45.100 -0.063 0.000 1.033 122 G HN 0.681 nan 8.290 nan 0.000 0.589 123 S N -2.342 113.359 115.700 0.002 0.000 2.709 123 S HA 0.745 5.211 4.470 -0.008 0.000 0.302 123 S C -0.313 174.218 174.600 -0.115 0.000 1.127 123 S CA 0.452 58.635 58.200 -0.028 0.000 0.905 123 S CB 1.372 64.545 63.200 -0.045 0.000 1.151 123 S HN 2.193 nan 8.310 nan 0.000 0.510 124 G N 0.096 108.810 108.800 -0.144 0.000 3.014 124 G HA2 -0.045 3.910 3.960 -0.008 0.000 0.683 124 G HA3 -0.045 3.910 3.960 -0.008 0.000 0.683 124 G C 0.324 175.110 174.900 -0.190 0.000 1.271 124 G CA -0.163 44.805 45.100 -0.221 0.000 0.843 124 G HN 1.579 nan 8.290 nan 0.000 0.612 125 V N 0.331 120.144 119.914 -0.167 0.000 2.490 125 V HA 0.235 4.350 4.120 -0.008 0.000 0.250 125 V C 2.152 178.176 176.094 -0.115 0.000 1.061 125 V CA 2.781 65.005 62.300 -0.126 0.000 1.064 125 V CB -0.448 31.309 31.823 -0.111 0.000 0.670 125 V HN 1.977 nan 8.190 nan 0.000 0.461 126 G N 0.246 108.961 108.800 -0.141 0.000 3.233 126 G HA2 0.179 4.135 3.960 -0.008 0.000 0.234 126 G HA3 0.179 4.135 3.960 -0.008 0.000 0.234 126 G C 0.202 175.028 174.900 -0.124 0.000 1.137 126 G CA -0.348 44.685 45.100 -0.112 0.000 0.763 126 G HN 0.508 nan 8.290 nan 0.000 0.549 127 N N 1.089 119.689 118.700 -0.168 0.000 2.425 127 N HA 0.413 5.148 4.740 -0.008 0.000 0.268 127 N C 0.584 176.054 175.510 -0.068 0.000 0.991 127 N CA -0.226 52.739 53.050 -0.143 0.000 0.931 127 N CB 1.898 40.242 38.487 -0.238 0.000 1.130 127 N HN 0.089 nan 8.380 nan 0.000 0.493 128 G N 0.335 109.120 108.800 -0.025 0.000 2.651 128 G HA2 0.216 4.171 3.960 -0.008 0.000 0.260 128 G HA3 0.216 4.171 3.960 -0.008 0.000 0.260 128 G C 0.379 175.297 174.900 0.029 0.000 1.216 128 G CA -0.416 44.686 45.100 0.003 0.000 0.913 128 G HN 0.544 nan 8.290 nan 0.000 0.535 129 S N -0.680 115.050 115.700 0.050 0.000 2.587 129 S HA 0.056 4.522 4.470 -0.008 0.000 0.260 129 S C 1.659 176.304 174.600 0.075 0.000 1.353 129 S CA -0.507 57.745 58.200 0.086 0.000 0.995 129 S CB 0.566 63.821 63.200 0.092 0.000 0.912 129 S HN 0.426 nan 8.310 nan 0.000 0.568 130 L N 0.838 122.104 121.223 0.071 0.000 2.079 130 L HA -0.137 4.199 4.340 -0.008 0.000 0.210 130 L C 3.015 179.953 176.870 0.113 0.000 1.081 130 L CA 1.641 56.527 54.840 0.077 0.000 0.752 130 L CB -1.300 40.783 42.059 0.041 0.000 0.896 130 L HN 0.943 nan 8.230 nan 0.000 0.433 131 A N 0.333 123.207 122.820 0.091 0.000 2.019 131 A HA -0.188 4.128 4.320 -0.008 0.000 0.219 131 A C 2.483 180.111 177.584 0.073 0.000 1.164 131 A CA 1.704 53.781 52.037 0.067 0.000 0.644 131 A CB -0.526 18.490 19.000 0.026 0.000 0.805 131 A HN 0.551 nan 8.150 nan 0.000 0.449 132 S N 0.005 115.752 115.700 0.078 0.000 2.474 132 S HA -0.077 4.388 4.470 -0.008 0.000 0.235 132 S C 1.467 176.127 174.600 0.099 0.000 0.997 132 S CA 1.219 59.469 58.200 0.084 0.000 0.949 132 S CB -0.900 62.339 63.200 0.066 0.000 0.766 132 S HN 1.057 nan 8.310 nan 0.000 0.517 133 V N -1.143 118.832 119.914 0.101 0.000 3.649 133 V HA 0.418 4.533 4.120 -0.008 0.000 0.275 133 V C 0.608 176.769 176.094 0.111 0.000 1.281 133 V CA -0.466 61.892 62.300 0.096 0.000 1.143 133 V CB -0.688 31.189 31.823 0.089 0.000 0.892 133 V HN 0.296 nan 8.190 nan 0.000 0.441 134 V N 3.154 123.153 119.914 0.143 0.000 2.508 134 V HA 0.277 4.392 4.120 -0.008 0.000 0.281 134 V C 1.620 177.883 176.094 0.281 0.000 1.041 134 V CA 0.459 62.866 62.300 0.177 0.000 1.016 134 V CB 0.846 32.762 31.823 0.156 0.000 0.984 134 V HN 0.784 nan 8.190 nan 0.000 0.478 135 R N 2.980 123.576 120.500 0.160 0.000 2.365 135 R HA 0.424 4.759 4.340 -0.008 0.000 0.223 135 R C 0.384 176.616 176.300 -0.113 0.000 0.899 135 R CA -0.116 55.977 56.100 -0.012 0.000 1.059 135 R CB 0.943 31.205 30.300 -0.064 0.000 1.086 135 R HN 0.688 nan 8.270 nan 0.000 0.522 136 E N 0.512 120.782 120.200 0.117 0.000 2.378 136 E HA 0.281 4.627 4.350 -0.008 0.000 0.283 136 E C -2.129 174.578 176.600 0.178 0.000 0.979 136 E CA -0.808 55.664 56.400 0.120 0.000 0.795 136 E CB 2.762 32.466 29.700 0.006 0.000 1.221 136 E HN -0.012 nan 8.360 nan 0.000 0.428 137 V N 2.832 122.856 119.914 0.184 0.000 2.680 137 V HA 0.571 4.687 4.120 -0.008 0.000 0.309 137 V C -1.514 174.602 176.094 0.036 0.000 1.052 137 V CA -0.297 62.052 62.300 0.081 0.000 0.908 137 V CB 1.917 33.765 31.823 0.043 0.000 1.001 137 V HN 0.734 nan 8.190 nan 0.000 0.431 138 E N 6.126 126.327 120.200 0.002 0.000 2.165 138 E HA 0.555 4.901 4.350 -0.008 0.000 0.266 138 E C -1.387 175.189 176.600 -0.039 0.000 0.889 138 E CA -0.431 55.961 56.400 -0.014 0.000 0.756 138 E CB 2.253 31.945 29.700 -0.013 0.000 1.131 138 E HN 0.574 nan 8.360 nan 0.000 0.411 139 L N 2.691 123.884 121.223 -0.050 0.000 2.346 139 L HA 0.438 4.774 4.340 -0.008 0.000 0.276 139 L C -0.604 176.224 176.870 -0.069 0.000 1.006 139 L CA -1.188 53.600 54.840 -0.086 0.000 0.817 139 L CB 1.901 43.894 42.059 -0.110 0.000 1.272 139 L HN 0.294 nan 8.230 nan 0.000 0.421 140 V N 1.972 121.839 119.914 -0.078 0.000 2.368 140 V HA 0.241 4.357 4.120 -0.008 0.000 0.266 140 V C 0.682 176.752 176.094 -0.039 0.000 1.045 140 V CA -0.410 61.870 62.300 -0.035 0.000 0.899 140 V CB 1.109 32.927 31.823 -0.008 0.000 1.006 140 V HN 0.914 nan 8.190 nan 0.000 0.470 141 T N 2.675 117.236 114.554 0.011 0.000 2.810 141 T HA 0.534 4.879 4.350 -0.008 0.000 0.277 141 T C 1.509 176.349 174.700 0.233 0.000 0.973 141 T CA 0.043 62.187 62.100 0.074 0.000 0.949 141 T CB 1.473 70.366 68.868 0.041 0.000 1.075 141 T HN 0.624 nan 8.240 nan 0.000 0.537 142 A N 0.896 123.915 122.820 0.333 0.000 1.978 142 A HA -0.098 4.217 4.320 -0.008 0.000 0.220 142 A C 1.819 179.458 177.584 0.092 0.000 1.170 142 A CA 1.919 54.100 52.037 0.240 0.000 0.636 142 A CB -1.106 17.975 19.000 0.135 0.000 0.810 142 A HN 0.971 nan 8.150 nan 0.000 0.448 143 D N -2.583 117.862 120.400 0.075 0.000 2.328 143 D HA 0.299 4.935 4.640 -0.008 0.000 0.221 143 D C 1.126 177.448 176.300 0.037 0.000 1.072 143 D CA 0.897 54.921 54.000 0.039 0.000 0.850 143 D CB -0.460 40.356 40.800 0.027 0.000 0.922 143 D HN 0.767 nan 8.370 nan 0.000 0.516 144 G N 0.210 109.044 108.800 0.056 0.000 2.195 144 G HA2 -0.286 3.669 3.960 -0.008 0.000 0.246 144 G HA3 -0.286 3.669 3.960 -0.008 0.000 0.246 144 G C 0.427 175.343 174.900 0.028 0.000 0.984 144 G CA 0.391 45.516 45.100 0.042 0.000 0.633 144 G HN 0.836 nan 8.290 nan 0.000 0.525 145 S N -0.083 115.633 115.700 0.026 0.000 2.617 145 S HA 0.675 5.141 4.470 -0.008 0.000 0.269 145 S C 0.152 174.756 174.600 0.007 0.000 1.292 145 S CA 0.502 58.710 58.200 0.013 0.000 1.010 145 S CB 1.876 65.083 63.200 0.012 0.000 0.944 145 S HN 0.507 nan 8.310 nan 0.000 0.536 146 T N 1.833 116.386 114.554 -0.001 0.000 2.845 146 T HA 0.526 4.871 4.350 -0.008 0.000 0.288 146 T C -0.617 174.078 174.700 -0.008 0.000 0.980 146 T CA -0.472 61.623 62.100 -0.008 0.000 1.071 146 T CB 0.866 69.728 68.868 -0.010 0.000 0.941 146 T HN 0.552 nan 8.240 nan 0.000 0.487 147 V N 4.149 124.054 119.914 -0.015 0.000 2.487 147 V HA 0.436 4.552 4.120 -0.008 0.000 0.298 147 V C -0.278 175.811 176.094 -0.009 0.000 1.028 147 V CA -0.774 61.520 62.300 -0.011 0.000 0.860 147 V CB 1.990 33.805 31.823 -0.014 0.000 0.991 147 V HN 0.675 nan 8.190 nan 0.000 0.427 148 V N 6.449 126.363 119.914 0.001 0.000 2.435 148 V HA 0.558 4.673 4.120 -0.008 0.000 0.290 148 V C -0.239 175.870 176.094 0.026 0.000 1.030 148 V CA -0.369 61.937 62.300 0.010 0.000 0.881 148 V CB 1.646 33.470 31.823 0.003 0.000 0.983 148 V HN 0.678 nan 8.190 nan 0.000 0.445 149 I N 4.028 124.636 120.570 0.062 0.000 2.447 149 I HA 0.763 4.929 4.170 -0.008 0.000 0.287 149 I C 0.089 176.301 176.117 0.159 0.000 1.023 149 I CA -0.538 60.832 61.300 0.116 0.000 1.083 149 I CB 1.901 39.992 38.000 0.153 0.000 1.245 149 I HN 0.665 nan 8.210 nan 0.000 0.434 150 A N 5.891 128.695 122.820 -0.027 0.000 2.330 150 A HA 0.650 4.965 4.320 -0.008 0.000 0.329 150 A C -0.134 176.962 177.584 -0.813 0.000 1.135 150 A CA -0.763 51.067 52.037 -0.345 0.000 0.817 150 A CB 1.285 20.156 19.000 -0.215 0.000 1.269 150 A HN 0.814 nan 8.150 nan 0.000 0.469 151 R N -0.036 119.655 120.500 -1.347 0.000 2.537 151 R HA 0.312 4.647 4.340 -0.008 0.000 0.281 151 R C 1.226 177.267 176.300 -0.432 0.000 0.988 151 R CA 1.890 57.288 56.100 -1.169 0.000 1.077 151 R CB -0.076 29.787 30.300 -0.729 0.000 0.932 151 R HN 1.768 nan 8.270 nan 0.000 0.409 152 G N 2.901 111.576 108.800 -0.209 0.000 2.279 152 G HA2 -0.255 3.700 3.960 -0.008 0.000 0.223 152 G HA3 -0.255 3.700 3.960 -0.008 0.000 0.223 152 G C -0.071 174.824 174.900 -0.010 0.000 1.015 152 G CA 0.129 45.187 45.100 -0.070 0.000 0.621 152 G HN 0.713 nan 8.290 nan 0.000 0.506 153 D N 1.883 122.273 120.400 -0.016 0.000 2.425 153 D HA 0.202 4.837 4.640 -0.008 0.000 0.247 153 D C 1.912 178.288 176.300 0.126 0.000 1.147 153 D CA 0.369 54.401 54.000 0.054 0.000 0.879 153 D CB 0.798 41.633 40.800 0.058 0.000 1.179 153 D HN 0.465 nan 8.370 nan 0.000 0.456 154 E N 4.759 125.035 120.200 0.127 0.000 2.209 154 E HA -0.245 4.101 4.350 -0.008 0.000 0.196 154 E C 1.162 177.915 176.600 0.254 0.000 0.993 154 E CA 1.093 57.603 56.400 0.184 0.000 0.819 154 E CB -0.277 29.514 29.700 0.151 0.000 0.745 154 E HN 0.543 nan 8.360 nan 0.000 0.477 155 R N -0.780 119.830 120.500 0.183 0.000 2.275 155 R HA 0.106 4.442 4.340 -0.008 0.000 0.199 155 R C 1.980 178.244 176.300 -0.060 0.000 0.989 155 R CA 0.532 56.706 56.100 0.123 0.000 1.016 155 R CB -0.393 29.953 30.300 0.076 0.000 0.918 155 R HN 0.102 nan 8.270 nan 0.000 0.473 156 F N 1.223 121.096 119.950 -0.128 0.000 2.269 156 F HA -0.022 4.501 4.527 -0.008 0.000 0.301 156 F C 2.111 177.695 175.800 -0.360 0.000 1.082 156 F CA 1.357 59.247 58.000 -0.184 0.000 1.360 156 F CB -0.349 38.598 39.000 -0.087 0.000 1.041 156 F HN 0.004 nan 8.300 nan 0.000 0.512 157 G N -0.676 107.816 108.800 -0.513 0.000 2.498 157 G HA2 -0.147 3.809 3.960 -0.008 0.000 0.219 157 G HA3 -0.147 3.809 3.960 -0.008 0.000 0.219 157 G C 1.712 175.564 174.900 -1.748 0.000 1.119 157 G CA 0.654 45.147 45.100 -1.013 0.000 0.766 157 G HN 0.568 nan 8.290 nan 0.000 0.552 158 G N -0.589 107.178 108.800 -1.722 0.000 3.159 158 G HA2 0.398 4.353 3.960 -0.008 0.000 0.232 158 G HA3 0.398 4.353 3.960 -0.008 0.000 0.232 158 G C 1.274 175.971 174.900 -0.339 0.000 1.116 158 G CA 0.967 45.558 45.100 -0.848 0.000 0.767 158 G HN 0.480 nan 8.290 nan 0.000 0.547 159 A N -0.257 122.263 122.820 -0.499 0.000 2.220 159 A HA 0.523 4.839 4.320 -0.008 0.000 0.211 159 A C 1.959 179.336 177.584 -0.345 0.000 1.176 159 A CA 0.748 52.572 52.037 -0.354 0.000 0.834 159 A CB 0.254 19.054 19.000 -0.334 0.000 0.868 159 A HN 0.158 nan 8.150 nan 0.000 0.488 160 V N -1.099 118.554 119.914 -0.435 0.000 2.602 160 V HA 0.020 4.136 4.120 -0.008 0.000 0.235 160 V C 1.062 177.048 176.094 -0.180 0.000 1.087 160 V CA 1.445 63.563 62.300 -0.304 0.000 1.117 160 V CB -0.607 31.002 31.823 -0.357 0.000 0.820 160 V HN 0.319 nan 8.190 nan 0.000 0.490 161 T N 1.571 116.017 114.554 -0.180 0.000 3.364 161 T HA 0.240 4.586 4.350 -0.008 0.000 0.323 161 T C 0.687 175.267 174.700 -0.200 0.000 1.323 161 T CA 0.192 62.212 62.100 -0.132 0.000 1.073 161 T CB 0.278 69.105 68.868 -0.069 0.000 1.150 161 T HN 0.334 nan 8.240 nan 0.000 0.727 162 S N 1.994 117.601 115.700 -0.155 0.000 2.629 162 S HA 0.231 4.697 4.470 -0.008 0.000 0.236 162 S C 1.018 175.547 174.600 -0.119 0.000 1.010 162 S CA -0.515 57.643 58.200 -0.070 0.000 0.981 162 S CB -0.164 63.107 63.200 0.117 0.000 0.919 162 S HN 0.740 nan 8.310 nan 0.000 0.514 163 L N 0.879 121.970 121.223 -0.221 0.000 4.001 163 L HA -0.278 4.057 4.340 -0.008 0.000 0.413 163 L C 1.180 177.999 176.870 -0.086 0.000 1.185 163 L CA 0.185 54.903 54.840 -0.204 0.000 0.963 163 L CB -2.441 39.431 42.059 -0.312 0.000 1.976 163 L HN 0.557 nan 8.230 nan 0.000 0.939 164 G N -1.137 107.622 108.800 -0.068 0.000 2.166 164 G HA2 -0.249 3.706 3.960 -0.008 0.000 0.260 164 G HA3 -0.249 3.706 3.960 -0.008 0.000 0.260 164 G C 0.841 175.719 174.900 -0.037 0.000 0.986 164 G CA 0.673 45.734 45.100 -0.065 0.000 0.683 164 G HN 1.100 nan 8.290 nan 0.000 0.527 165 A N -0.810 122.033 122.820 0.038 0.000 2.251 165 A HA 0.615 4.930 4.320 -0.008 0.000 0.209 165 A C 2.080 179.682 177.584 0.030 0.000 1.187 165 A CA 1.185 53.293 52.037 0.118 0.000 0.823 165 A CB -0.055 19.081 19.000 0.227 0.000 0.846 165 A HN 0.666 nan 8.150 nan 0.000 0.486 166 L N -1.711 119.436 121.223 -0.127 0.000 2.590 166 L HA 0.414 4.750 4.340 -0.008 0.000 0.227 166 L C 1.107 177.708 176.870 -0.449 0.000 1.099 166 L CA 0.473 55.195 54.840 -0.197 0.000 0.872 166 L CB 0.016 41.977 42.059 -0.163 0.000 1.088 166 L HN 0.491 nan 8.230 nan 0.000 0.479 167 G N -0.390 107.819 108.800 -0.985 0.000 2.369 167 G HA2 0.048 4.003 3.960 -0.008 0.000 0.295 167 G HA3 0.048 4.003 3.960 -0.008 0.000 0.295 167 G C -1.393 172.995 174.900 -0.854 0.000 1.298 167 G CA -0.907 43.334 45.100 -1.431 0.000 0.940 167 G HN -0.310 nan 8.290 nan 0.000 0.536 168 V N 0.597 120.190 119.914 -0.535 0.000 2.408 168 V HA 0.396 4.512 4.120 -0.008 0.000 0.267 168 V C 0.828 176.824 176.094 -0.163 0.000 1.047 168 V CA -0.519 61.643 62.300 -0.230 0.000 0.937 168 V CB 1.186 32.965 31.823 -0.074 0.000 0.999 168 V HN 0.719 nan 8.190 nan 0.000 0.472 169 V N 5.894 125.728 119.914 -0.133 0.000 2.397 169 V HA 0.081 4.196 4.120 -0.008 0.000 0.262 169 V C 1.509 177.565 176.094 -0.063 0.000 1.047 169 V CA 0.664 62.908 62.300 -0.092 0.000 1.003 169 V CB 0.712 32.486 31.823 -0.081 0.000 1.037 169 V HN 1.114 nan 8.190 nan 0.000 0.480 170 T N 0.779 115.302 114.554 -0.052 0.000 3.035 170 T HA 0.134 4.480 4.350 -0.008 0.000 0.259 170 T C 0.715 175.396 174.700 -0.032 0.000 1.078 170 T CA 0.226 62.303 62.100 -0.038 0.000 1.132 170 T CB 0.288 69.137 68.868 -0.033 0.000 0.900 170 T HN 0.507 nan 8.240 nan 0.000 0.480 171 S N 0.039 115.721 115.700 -0.029 0.000 2.550 171 S HA 0.752 5.218 4.470 -0.008 0.000 0.270 171 S C -1.784 172.807 174.600 -0.015 0.000 1.145 171 S CA -0.905 57.282 58.200 -0.023 0.000 0.852 171 S CB 1.920 65.109 63.200 -0.017 0.000 1.119 171 S HN 0.264 nan 8.310 nan 0.000 0.465 172 L N 1.196 122.412 121.223 -0.012 0.000 2.409 172 L HA 0.692 5.027 4.340 -0.008 0.000 0.262 172 L C -0.402 176.474 176.870 0.010 0.000 0.992 172 L CA -0.402 54.442 54.840 0.008 0.000 0.817 172 L CB 2.282 44.343 42.059 0.003 0.000 1.350 172 L HN 0.577 nan 8.230 nan 0.000 0.411 173 T N 2.500 117.072 114.554 0.029 0.000 2.807 173 T HA 0.787 5.132 4.350 -0.008 0.000 0.279 173 T C -0.809 173.914 174.700 0.038 0.000 0.993 173 T CA -0.390 61.722 62.100 0.021 0.000 0.970 173 T CB 1.286 70.159 68.868 0.009 0.000 0.950 173 T HN 0.129 nan 8.240 nan 0.000 0.441 174 L N 2.783 124.025 121.223 0.031 0.000 2.342 174 L HA 0.501 4.837 4.340 -0.008 0.000 0.271 174 L C 0.079 176.966 176.870 0.028 0.000 1.008 174 L CA -0.682 54.186 54.840 0.047 0.000 0.818 174 L CB 1.586 43.680 42.059 0.058 0.000 1.296 174 L HN 0.536 nan 8.230 nan 0.000 0.427 175 D N 2.228 122.646 120.400 0.030 0.000 2.304 175 D HA 0.572 5.207 4.640 -0.008 0.000 0.247 175 D C -0.424 175.878 176.300 0.003 0.000 1.089 175 D CA 0.037 54.044 54.000 0.011 0.000 0.910 175 D CB 1.461 42.267 40.800 0.011 0.000 1.199 175 D HN 0.229 nan 8.370 nan 0.000 0.426 176 L N 0.604 121.816 121.223 -0.019 0.000 2.309 176 L HA 0.471 4.807 4.340 -0.008 0.000 0.261 176 L C 0.257 177.092 176.870 -0.059 0.000 1.021 176 L CA -0.892 53.919 54.840 -0.049 0.000 0.823 176 L CB 2.087 44.112 42.059 -0.056 0.000 1.366 176 L HN 0.421 nan 8.230 nan 0.000 0.423 177 E N -0.028 120.119 120.200 -0.089 0.000 2.378 177 E HA 0.583 4.929 4.350 -0.008 0.000 0.265 177 E C -2.835 173.715 176.600 -0.083 0.000 0.932 177 E CA -2.414 53.939 56.400 -0.077 0.000 0.795 177 E CB 1.824 31.474 29.700 -0.083 0.000 1.296 177 E HN 0.142 nan 8.360 nan 0.000 0.438 178 P HA 0.018 nan 4.420 nan 0.000 0.266 178 P C -0.690 176.613 177.300 0.006 0.000 1.195 178 P CA 0.235 63.318 63.100 -0.028 0.000 0.768 178 P CB 0.535 32.229 31.700 -0.010 0.000 0.838 179 A N 3.623 126.429 122.820 -0.022 0.000 2.531 179 A HA 0.344 4.659 4.320 -0.008 0.000 0.236 179 A C -0.396 177.285 177.584 0.162 0.000 1.062 179 A CA 0.544 52.579 52.037 -0.003 0.000 0.760 179 A CB -0.832 18.245 19.000 0.130 0.000 0.995 179 A HN 0.612 nan 8.150 nan 0.000 0.501 180 Y N -0.525 119.825 120.300 0.084 0.000 2.553 180 Y HA 0.772 5.317 4.550 -0.008 0.000 0.347 180 Y C -0.375 175.659 175.900 0.223 0.000 1.019 180 Y CA -1.348 56.805 58.100 0.089 0.000 1.032 180 Y CB 1.258 39.690 38.460 -0.047 0.000 1.284 180 Y HN 0.547 nan 8.280 nan 0.000 0.466 181 E N 3.195 123.539 120.200 0.241 0.000 2.227 181 E HA 0.569 4.915 4.350 -0.008 0.000 0.268 181 E C -0.929 175.769 176.600 0.163 0.000 0.990 181 E CA -0.772 55.719 56.400 0.152 0.000 0.856 181 E CB 2.389 32.159 29.700 0.115 0.000 1.159 181 E HN 0.824 nan 8.360 nan 0.000 0.401 182 M N 0.735 120.396 119.600 0.100 0.000 2.618 182 M HA 0.380 4.855 4.480 -0.008 0.000 0.281 182 M C -0.726 175.608 176.300 0.056 0.000 1.267 182 M CA -0.637 54.727 55.300 0.106 0.000 0.845 182 M CB 2.682 35.358 32.600 0.127 0.000 1.732 182 M HN 0.247 nan 8.290 nan 0.000 0.461 183 E N 1.248 121.495 120.200 0.078 0.000 2.266 183 E HA 0.399 4.745 4.350 -0.008 0.000 0.268 183 E C -1.495 175.111 176.600 0.011 0.000 0.879 183 E CA -0.736 55.671 56.400 0.012 0.000 0.762 183 E CB 2.979 32.737 29.700 0.098 0.000 1.199 183 E HN 0.464 nan 8.360 nan 0.000 0.422 184 Q N 2.480 122.186 119.800 -0.157 0.000 2.341 184 Q HA 0.278 4.614 4.340 -0.008 0.000 0.268 184 Q C -1.522 174.249 176.000 -0.382 0.000 1.013 184 Q CA -0.655 55.054 55.803 -0.157 0.000 0.798 184 Q CB 0.758 29.404 28.738 -0.154 0.000 1.253 184 Q HN 0.544 nan 8.270 nan 0.000 0.457 185 H N 1.598 120.526 119.070 -0.237 0.000 2.539 185 H HA 0.468 5.020 4.556 -0.008 0.000 0.332 185 H C -0.866 174.139 175.328 -0.537 0.000 1.031 185 H CA -0.497 55.322 56.048 -0.382 0.000 1.206 185 H CB 1.618 31.281 29.762 -0.164 0.000 1.446 185 H HN 0.308 nan 8.280 nan 0.000 0.496 186 V N 4.372 123.820 119.914 -0.777 0.000 2.667 186 V HA 0.463 4.578 4.120 -0.008 0.000 0.308 186 V C -0.560 175.003 176.094 -0.886 0.000 1.048 186 V CA -0.692 61.155 62.300 -0.756 0.000 0.928 186 V CB 1.116 32.323 31.823 -1.028 0.000 1.004 186 V HN 0.560 nan 8.190 nan 0.000 0.444 187 F N 0.687 120.531 119.950 -0.177 0.000 2.603 187 F HA 0.717 5.240 4.527 -0.008 0.000 0.317 187 F C 0.300 176.120 175.800 0.034 0.000 1.066 187 F CA -0.693 57.285 58.000 -0.036 0.000 0.941 187 F CB 2.464 41.500 39.000 0.061 0.000 1.291 187 F HN 0.517 nan 8.300 nan 0.000 0.472 188 T N -1.354 113.340 114.554 0.232 0.000 2.887 188 T HA 0.576 4.921 4.350 -0.008 0.000 0.288 188 T C -1.077 173.743 174.700 0.199 0.000 1.021 188 T CA -0.785 61.422 62.100 0.180 0.000 1.000 188 T CB 1.863 70.788 68.868 0.095 0.000 1.034 188 T HN 0.574 nan 8.240 nan 0.000 0.467 189 E N 0.188 120.496 120.200 0.180 0.000 3.375 189 E HA -0.147 4.199 4.350 -0.008 0.000 0.160 189 E C -1.270 175.443 176.600 0.188 0.000 1.617 189 E CA 0.058 56.553 56.400 0.158 0.000 0.787 189 E CB -1.218 28.551 29.700 0.115 0.000 1.087 189 E HN 0.761 nan 8.360 nan 0.000 0.375 190 L N 3.464 124.826 121.223 0.231 0.000 2.276 190 L HA 0.468 4.803 4.340 -0.008 0.000 0.286 190 L C -2.423 174.609 176.870 0.270 0.000 1.024 190 L CA -1.601 53.386 54.840 0.245 0.000 0.826 190 L CB 1.182 43.392 42.059 0.250 0.000 1.211 190 L HN -0.057 nan 8.230 nan 0.000 0.422 191 P HA 0.026 nan 4.420 nan 0.000 0.269 191 P C 0.317 177.753 177.300 0.226 0.000 1.209 191 P CA -0.257 62.937 63.100 0.157 0.000 0.776 191 P CB 0.778 32.546 31.700 0.113 0.000 0.876 192 L N 3.301 124.615 121.223 0.152 0.000 2.131 192 L HA 0.165 4.501 4.340 -0.008 0.000 0.206 192 L C 0.836 177.803 176.870 0.161 0.000 1.087 192 L CA 1.095 56.039 54.840 0.172 0.000 0.767 192 L CB -1.172 40.876 42.059 -0.017 0.000 0.917 192 L HN 0.320 nan 8.230 nan 0.000 0.441 193 A N -0.402 122.497 122.820 0.131 0.000 2.524 193 A HA 0.431 4.746 4.320 -0.008 0.000 0.250 193 A C 1.453 179.107 177.584 0.116 0.000 1.078 193 A CA 0.386 52.501 52.037 0.130 0.000 0.761 193 A CB -0.952 18.105 19.000 0.095 0.000 1.012 193 A HN 1.082 nan 8.150 nan 0.000 0.500 194 G N 0.971 109.837 108.800 0.111 0.000 2.179 194 G HA2 -0.180 3.776 3.960 -0.008 0.000 0.260 194 G HA3 -0.180 3.776 3.960 -0.008 0.000 0.260 194 G C 0.220 175.174 174.900 0.090 0.000 0.977 194 G CA 0.378 45.530 45.100 0.087 0.000 0.641 194 G HN 1.466 nan 8.290 nan 0.000 0.533 195 L N 2.964 124.261 121.223 0.123 0.000 2.415 195 L HA 0.475 4.811 4.340 -0.008 0.000 0.269 195 L C 0.580 177.521 176.870 0.119 0.000 1.244 195 L CA -0.556 54.358 54.840 0.123 0.000 1.113 195 L CB -0.421 41.750 42.059 0.186 0.000 1.352 195 L HN 0.384 nan 8.230 nan 0.000 0.433 196 D N 3.122 123.569 120.400 0.077 0.000 2.466 196 D HA 0.343 4.979 4.640 -0.008 0.000 0.262 196 D C -1.992 174.346 176.300 0.063 0.000 1.177 196 D CA -2.178 51.858 54.000 0.059 0.000 1.035 196 D CB 0.017 40.839 40.800 0.037 0.000 1.105 196 D HN 0.097 nan 8.370 nan 0.000 0.551 197 P HA -0.122 nan 4.420 nan 0.000 0.216 197 P C 1.182 178.518 177.300 0.059 0.000 1.153 197 P CA 2.571 65.703 63.100 0.054 0.000 0.858 197 P CB -0.075 31.639 31.700 0.023 0.000 0.789 198 A N -1.169 121.664 122.820 0.022 0.000 1.898 198 A HA -0.139 4.176 4.320 -0.008 0.000 0.216 198 A C 2.205 179.758 177.584 -0.052 0.000 1.181 198 A CA 2.227 54.259 52.037 -0.008 0.000 0.620 198 A CB -1.757 17.237 19.000 -0.009 0.000 0.819 198 A HN 0.156 nan 8.150 nan 0.000 0.442 199 T N -0.858 113.657 114.554 -0.065 0.000 2.777 199 T HA -0.086 4.259 4.350 -0.008 0.000 0.266 199 T C 1.619 176.186 174.700 -0.220 0.000 1.040 199 T CA 1.406 63.383 62.100 -0.205 0.000 1.141 199 T CB -0.376 68.388 68.868 -0.174 0.000 0.868 199 T HN 0.436 nan 8.240 nan 0.000 0.444 200 F N 2.323 122.163 119.950 -0.184 0.000 2.102 200 F HA -0.097 4.425 4.527 -0.008 0.000 0.298 200 F C 2.409 178.112 175.800 -0.162 0.000 1.105 200 F CA 1.658 59.557 58.000 -0.169 0.000 1.239 200 F CB -0.283 38.653 39.000 -0.107 0.000 0.991 200 F HN 0.059 nan 8.300 nan 0.000 0.474 201 E N -0.183 119.968 120.200 -0.081 0.000 2.077 201 E HA -0.168 4.178 4.350 -0.008 0.000 0.193 201 E C 2.065 178.536 176.600 -0.216 0.000 0.989 201 E CA 2.263 58.571 56.400 -0.152 0.000 0.800 201 E CB -0.749 28.928 29.700 -0.039 0.000 0.746 201 E HN 0.369 nan 8.360 nan 0.000 0.452 202 T N -0.100 114.328 114.554 -0.210 0.000 2.684 202 T HA -0.132 4.213 4.350 -0.008 0.000 0.267 202 T C 1.865 176.425 174.700 -0.233 0.000 1.036 202 T CA 1.488 63.467 62.100 -0.203 0.000 1.148 202 T CB -0.388 68.346 68.868 -0.224 0.000 0.863 202 T HN 0.024 nan 8.240 nan 0.000 0.436 203 V N 1.675 121.366 119.914 -0.371 0.000 2.261 203 V HA -0.155 3.961 4.120 -0.008 0.000 0.246 203 V C 2.534 178.485 176.094 -0.238 0.000 1.047 203 V CA 1.410 63.559 62.300 -0.250 0.000 1.015 203 V CB -0.487 31.125 31.823 -0.352 0.000 0.642 203 V HN 0.437 nan 8.190 nan 0.000 0.446 204 M N -0.277 119.056 119.600 -0.444 0.000 2.374 204 M HA 0.031 4.507 4.480 -0.008 0.000 0.264 204 M C 1.934 178.091 176.300 -0.238 0.000 1.067 204 M CA 1.582 56.637 55.300 -0.409 0.000 1.103 204 M CB -1.319 30.913 32.600 -0.613 0.000 1.402 204 M HN 0.394 nan 8.290 nan 0.000 0.444 205 A N -0.734 121.975 122.820 -0.184 0.000 2.345 205 A HA 0.503 4.818 4.320 -0.008 0.000 0.225 205 A C 2.083 179.636 177.584 -0.051 0.000 1.243 205 A CA 0.708 52.681 52.037 -0.108 0.000 0.875 205 A CB -0.479 18.465 19.000 -0.094 0.000 0.929 205 A HN 0.365 nan 8.150 nan 0.000 0.502 206 A N -0.688 122.112 122.820 -0.033 0.000 2.119 206 A HA 0.552 4.867 4.320 -0.008 0.000 0.217 206 A C 1.181 178.775 177.584 0.016 0.000 1.153 206 A CA 1.298 53.355 52.037 0.034 0.000 0.692 206 A CB -0.267 18.820 19.000 0.143 0.000 0.799 206 A HN 1.242 nan 8.150 nan 0.000 0.458 207 A N -3.208 119.615 122.820 0.005 0.000 2.593 207 A HA 0.533 4.848 4.320 -0.008 0.000 0.290 207 A C 0.293 177.931 177.584 0.089 0.000 1.126 207 A CA -0.119 51.954 52.037 0.059 0.000 0.695 207 A CB -0.326 18.711 19.000 0.062 0.000 1.290 207 A HN 0.385 nan 8.150 nan 0.000 0.414 208 Y N 1.080 121.388 120.300 0.014 0.000 2.102 208 Y HA -0.051 4.494 4.550 -0.008 0.000 0.280 208 Y C 1.193 177.103 175.900 0.017 0.000 1.178 208 Y CA 2.620 60.728 58.100 0.014 0.000 1.146 208 Y CB 0.133 38.619 38.460 0.043 0.000 0.968 208 Y HN 0.700 nan 8.280 nan 0.000 0.504 209 S N -0.042 115.704 115.700 0.078 0.000 2.594 209 S HA 0.666 5.131 4.470 -0.008 0.000 0.296 209 S C -1.718 172.898 174.600 0.026 0.000 1.124 209 S CA -0.675 57.518 58.200 -0.012 0.000 1.011 209 S CB 1.168 64.408 63.200 0.066 0.000 1.016 209 S HN -0.036 nan 8.310 nan 0.000 0.485 210 V N 3.940 123.828 119.914 -0.044 0.000 2.588 210 V HA 0.632 4.748 4.120 -0.008 0.000 0.304 210 V C -0.253 175.770 176.094 -0.118 0.000 1.042 210 V CA -0.636 61.626 62.300 -0.063 0.000 0.877 210 V CB 2.009 33.757 31.823 -0.125 0.000 0.996 210 V HN 0.875 nan 8.190 nan 0.000 0.425 211 S N 4.848 120.471 115.700 -0.129 0.000 2.503 211 S HA 0.780 5.245 4.470 -0.008 0.000 0.301 211 S C -0.622 173.735 174.600 -0.405 0.000 1.087 211 S CA -0.590 57.400 58.200 -0.350 0.000 1.042 211 S CB 1.464 64.325 63.200 -0.567 0.000 1.043 211 S HN 0.525 nan 8.310 nan 0.000 0.489 212 L N 2.565 123.474 121.223 -0.524 0.000 2.325 212 L HA 0.664 4.999 4.340 -0.008 0.000 0.278 212 L C -1.245 175.258 176.870 -0.611 0.000 1.023 212 L CA -0.609 53.959 54.840 -0.452 0.000 0.811 212 L CB 0.758 42.451 42.059 -0.609 0.000 1.249 212 L HN 0.521 nan 8.230 nan 0.000 0.431 213 F N 0.014 119.923 119.950 -0.068 0.000 2.532 213 F HA 0.679 5.201 4.527 -0.008 0.000 0.321 213 F C 0.337 176.121 175.800 -0.027 0.000 1.089 213 F CA -0.534 57.411 58.000 -0.091 0.000 0.926 213 F CB 2.390 41.301 39.000 -0.149 0.000 1.168 213 F HN 0.316 nan 8.300 nan 0.000 0.459 214 T N 0.048 114.601 114.554 -0.000 0.000 2.868 214 T HA 0.267 4.612 4.350 -0.008 0.000 0.306 214 T C -0.377 174.168 174.700 -0.258 0.000 1.224 214 T CA -0.630 61.318 62.100 -0.253 0.000 1.012 214 T CB 1.230 69.639 68.868 -0.765 0.000 1.221 214 T HN 0.681 nan 8.240 nan 0.000 0.499 215 D N 0.542 120.834 120.400 -0.180 0.000 2.349 215 D HA 0.029 4.664 4.640 -0.008 0.000 0.214 215 D C 0.552 176.913 176.300 0.102 0.000 1.063 215 D CA -0.061 53.925 54.000 -0.023 0.000 0.847 215 D CB -0.414 40.404 40.800 0.029 0.000 0.933 215 D HN 0.810 nan 8.370 nan 0.000 0.513 216 W N 0.690 122.002 121.300 0.021 0.000 5.271 216 W HA -0.302 4.353 4.660 -0.008 0.000 0.364 216 W C 1.221 177.753 176.519 0.022 0.000 1.342 216 W CA 0.053 57.407 57.345 0.014 0.000 0.899 216 W CB -1.611 27.900 29.460 0.085 0.000 2.450 216 W HN 0.082 nan 8.180 nan 0.000 1.508 217 R N 0.202 120.797 120.500 0.159 0.000 1.758 217 R HA 0.544 4.879 4.340 -0.008 0.000 0.141 217 R C 1.428 177.777 176.300 0.082 0.000 2.075 217 R CA 0.106 56.276 56.100 0.117 0.000 1.687 217 R CB -0.785 29.565 30.300 0.083 0.000 1.239 217 R HN 0.026 nan 8.270 nan 0.000 0.477 218 A N 2.719 125.564 122.820 0.042 0.000 2.483 218 A HA 0.213 4.528 4.320 -0.008 0.000 0.238 218 A C -2.158 175.429 177.584 0.005 0.000 1.070 218 A CA -0.883 51.170 52.037 0.027 0.000 0.770 218 A CB -0.455 18.555 19.000 0.017 0.000 1.008 218 A HN 0.119 nan 8.150 nan 0.000 0.497 219 P HA 0.345 nan 4.420 nan 0.000 0.266 219 P C 0.796 178.034 177.300 -0.103 0.000 1.193 219 P CA 1.973 65.065 63.100 -0.012 0.000 0.770 219 P CB 0.359 32.072 31.700 0.021 0.000 0.836 220 G N 1.010 109.658 108.800 -0.253 0.000 2.627 220 G HA2 -0.126 3.830 3.960 -0.008 0.000 0.214 220 G HA3 -0.126 3.830 3.960 -0.008 0.000 0.214 220 G C -1.265 173.195 174.900 -0.733 0.000 1.331 220 G CA -0.902 43.954 45.100 -0.407 0.000 0.891 220 G HN 0.319 nan 8.290 nan 0.000 0.539 221 F N 0.681 120.572 119.950 -0.098 0.000 2.443 221 F HA 0.681 5.203 4.527 -0.008 0.000 0.335 221 F C 1.664 177.448 175.800 -0.027 0.000 1.104 221 F CA -1.035 56.893 58.000 -0.120 0.000 1.013 221 F CB 1.835 40.785 39.000 -0.083 0.000 1.136 221 F HN 0.326 nan 8.300 nan 0.000 0.470 222 R N 0.830 121.405 120.500 0.126 0.000 2.100 222 R HA 0.105 4.440 4.340 -0.008 0.000 0.220 222 R C -0.211 176.206 176.300 0.195 0.000 1.091 222 R CA 0.796 56.969 56.100 0.122 0.000 0.986 222 R CB -0.101 30.244 30.300 0.076 0.000 0.888 222 R HN 0.706 nan 8.270 nan 0.000 0.444 223 Q N -0.326 119.641 119.800 0.279 0.000 2.456 223 Q HA 0.529 4.864 4.340 -0.008 0.000 0.284 223 Q C -1.437 174.797 176.000 0.390 0.000 1.061 223 Q CA -0.770 55.248 55.803 0.357 0.000 0.799 223 Q CB 3.433 32.453 28.738 0.470 0.000 1.445 223 Q HN -0.205 nan 8.270 nan 0.000 0.411 224 V N 0.844 121.003 119.914 0.410 0.000 2.525 224 V HA 0.431 4.546 4.120 -0.008 0.000 0.299 224 V C -1.560 174.799 176.094 0.441 0.000 1.034 224 V CA -0.763 61.729 62.300 0.320 0.000 0.863 224 V CB 1.131 33.063 31.823 0.181 0.000 0.999 224 V HN 0.659 nan 8.190 nan 0.000 0.423 225 W N 5.204 126.516 121.300 0.020 0.000 2.329 225 W HA 0.717 5.372 4.660 -0.008 0.000 0.312 225 W C -0.470 176.030 176.519 -0.032 0.000 1.054 225 W CA -0.988 56.358 57.345 0.002 0.000 1.245 225 W CB 1.325 30.790 29.460 0.008 0.000 1.255 225 W HN 0.335 nan 8.180 nan 0.000 0.436 226 L N 4.587 125.898 121.223 0.147 0.000 2.265 226 L HA 0.444 4.779 4.340 -0.008 0.000 0.289 226 L C 0.122 177.080 176.870 0.147 0.000 1.033 226 L CA -0.847 54.045 54.840 0.087 0.000 0.814 226 L CB 0.727 42.794 42.059 0.013 0.000 1.203 226 L HN 0.243 nan 8.230 nan 0.000 0.423 227 K N 4.500 125.001 120.400 0.167 0.000 2.347 227 K HA 0.345 4.661 4.320 -0.008 0.000 0.262 227 K C -0.451 176.284 176.600 0.225 0.000 1.052 227 K CA -0.618 55.787 56.287 0.198 0.000 0.946 227 K CB 1.415 34.054 32.500 0.232 0.000 1.220 227 K HN 0.382 nan 8.250 nan 0.000 0.450 228 R N 3.529 124.149 120.500 0.201 0.000 2.346 228 R HA 0.273 4.608 4.340 -0.008 0.000 0.311 228 R C -0.663 175.725 176.300 0.147 0.000 0.983 228 R CA -0.577 55.627 56.100 0.174 0.000 0.880 228 R CB 0.803 31.196 30.300 0.155 0.000 1.100 228 R HN 0.583 nan 8.270 nan 0.000 0.453 229 R N 1.545 122.101 120.500 0.094 0.000 2.389 229 R HA 0.035 4.371 4.340 -0.008 0.000 0.295 229 R C 1.350 177.688 176.300 0.063 0.000 1.075 229 R CA 0.371 56.498 56.100 0.043 0.000 1.005 229 R CB 0.857 31.079 30.300 -0.130 0.000 0.987 229 R HN 0.749 nan 8.270 nan 0.000 0.452 230 T N -2.049 112.557 114.554 0.086 0.000 3.007 230 T HA -0.136 4.210 4.350 -0.008 0.000 0.270 230 T C 1.062 175.792 174.700 0.049 0.000 1.107 230 T CA 1.161 63.305 62.100 0.073 0.000 1.118 230 T CB -0.127 68.788 68.868 0.079 0.000 0.889 230 T HN 0.668 nan 8.240 nan 0.000 0.506 231 D N 0.654 121.073 120.400 0.032 0.000 2.336 231 D HA 0.020 4.655 4.640 -0.008 0.000 0.229 231 D C 0.609 176.907 176.300 -0.004 0.000 1.061 231 D CA -0.189 53.816 54.000 0.009 0.000 0.875 231 D CB -0.008 40.789 40.800 -0.004 0.000 0.904 231 D HN 0.244 nan 8.370 nan 0.000 0.525 232 R N 0.593 121.097 120.500 0.006 0.000 2.807 232 R HA 0.489 4.824 4.340 -0.008 0.000 0.276 232 R C -2.703 173.611 176.300 0.023 0.000 0.979 232 R CA -2.034 54.073 56.100 0.012 0.000 0.928 232 R CB 0.712 31.023 30.300 0.019 0.000 1.191 232 R HN 0.024 nan 8.270 nan 0.000 0.471 233 P HA 0.146 nan 4.420 nan 0.000 0.271 233 P C -0.679 176.633 177.300 0.020 0.000 1.218 233 P CA -0.501 62.611 63.100 0.019 0.000 0.780 233 P CB 0.632 32.342 31.700 0.015 0.000 0.901 234 L N 3.115 124.344 121.223 0.010 0.000 2.345 234 L HA 0.405 4.741 4.340 -0.008 0.000 0.274 234 L C -0.501 176.369 176.870 -0.001 0.000 0.999 234 L CA -0.404 54.431 54.840 -0.008 0.000 0.849 234 L CB 0.489 42.515 42.059 -0.055 0.000 1.220 234 L HN 0.150 nan 8.230 nan 0.000 0.422 235 D N 2.720 123.131 120.400 0.018 0.000 2.377 235 D HA 0.379 5.014 4.640 -0.008 0.000 0.245 235 D C 0.372 176.691 176.300 0.032 0.000 1.196 235 D CA 0.192 54.206 54.000 0.023 0.000 0.962 235 D CB 0.964 41.784 40.800 0.034 0.000 1.127 235 D HN 0.702 nan 8.370 nan 0.000 0.471 236 G N -0.304 108.504 108.800 0.013 0.000 2.484 236 G HA2 0.191 4.146 3.960 -0.008 0.000 0.235 236 G HA3 0.191 4.146 3.960 -0.008 0.000 0.235 236 G C -0.827 174.080 174.900 0.011 0.000 1.282 236 G CA -0.180 44.925 45.100 0.009 0.000 0.857 236 G HN 0.332 nan 8.290 nan 0.000 0.571 237 F N 4.312 124.159 119.950 -0.171 0.000 2.451 237 F HA 0.426 4.949 4.527 -0.007 0.000 0.367 237 F C -1.411 174.157 175.800 -0.388 0.000 1.100 237 F CA -2.387 55.433 58.000 -0.300 0.000 1.171 237 F CB 2.219 40.919 39.000 -0.501 0.000 1.405 237 F HN 0.324 nan 8.300 nan 0.000 0.482 238 P HA -0.058 nan 4.420 nan 0.000 0.245 238 P C 0.649 177.550 177.300 -0.665 0.000 1.212 238 P CA 0.834 63.548 63.100 -0.642 0.000 0.774 238 P CB -0.096 31.208 31.700 -0.660 0.000 0.999 239 Y N 0.555 120.469 120.300 -0.644 0.000 2.516 239 Y HA 0.339 4.884 4.550 -0.008 0.000 0.291 239 Y C 1.541 177.326 175.900 -0.191 0.000 1.131 239 Y CA 0.248 58.054 58.100 -0.489 0.000 1.281 239 Y CB -0.232 37.780 38.460 -0.746 0.000 1.013 239 Y HN -0.011 nan 8.280 nan 0.000 0.554 240 A N -0.485 122.367 122.820 0.053 0.000 2.602 240 A HA 0.837 5.152 4.320 -0.008 0.000 0.290 240 A C -1.106 176.678 177.584 0.333 0.000 1.114 240 A CA -0.595 51.586 52.037 0.241 0.000 0.683 240 A CB 0.321 19.548 19.000 0.378 0.000 1.281 240 A HN 0.076 nan 8.150 nan 0.000 0.416 241 A N 1.621 124.623 122.820 0.304 0.000 2.354 241 A HA 0.714 5.030 4.320 -0.008 0.000 0.269 241 A C -2.427 175.343 177.584 0.310 0.000 1.109 241 A CA -1.513 50.681 52.037 0.261 0.000 0.800 241 A CB -0.360 18.728 19.000 0.146 0.000 1.045 241 A HN 0.533 nan 8.150 nan 0.000 0.489 242 P HA 0.206 nan 4.420 nan 0.000 0.268 242 P C -0.094 177.110 177.300 -0.160 0.000 1.204 242 P CA 0.238 63.268 63.100 -0.116 0.000 0.768 242 P CB 0.592 32.255 31.700 -0.062 0.000 0.842 243 A N 3.200 125.807 122.820 -0.356 0.000 2.477 243 A HA 0.371 4.687 4.320 -0.008 0.000 0.246 243 A C 1.553 179.036 177.584 -0.169 0.000 1.078 243 A CA 0.300 52.170 52.037 -0.277 0.000 0.770 243 A CB -0.197 18.531 19.000 -0.453 0.000 1.011 243 A HN 0.596 nan 8.150 nan 0.000 0.494 244 A N 2.036 124.831 122.820 -0.042 0.000 2.081 244 A HA 0.226 4.541 4.320 -0.008 0.000 0.214 244 A C 0.790 178.483 177.584 0.181 0.000 1.158 244 A CA 0.880 52.961 52.037 0.072 0.000 0.724 244 A CB 0.000 19.025 19.000 0.042 0.000 0.826 244 A HN 0.843 nan 8.150 nan 0.000 0.463 245 E N -0.929 119.330 120.200 0.100 0.000 2.369 245 E HA 0.326 4.671 4.350 -0.008 0.000 0.270 245 E C -1.065 175.551 176.600 0.026 0.000 0.909 245 E CA -0.921 55.576 56.400 0.162 0.000 0.775 245 E CB 1.691 31.424 29.700 0.056 0.000 1.270 245 E HN 0.210 nan 8.360 nan 0.000 0.445 246 K N 1.974 122.452 120.400 0.130 0.000 2.448 246 K HA 0.097 4.413 4.320 -0.008 0.000 0.278 246 K C -0.554 175.985 176.600 -0.101 0.000 1.009 246 K CA 0.198 56.456 56.287 -0.048 0.000 0.995 246 K CB 0.425 32.961 32.500 0.059 0.000 0.917 246 K HN 0.308 nan 8.250 nan 0.000 0.481 247 M N 2.839 122.315 119.600 -0.206 0.000 2.578 247 M HA 0.232 4.707 4.480 -0.008 0.000 0.321 247 M C -0.201 176.159 176.300 0.099 0.000 1.182 247 M CA -0.660 54.599 55.300 -0.067 0.000 0.965 247 M CB 1.414 33.939 32.600 -0.125 0.000 1.694 247 M HN 0.618 nan 8.290 nan 0.000 0.461 248 H N 2.046 121.147 119.070 0.051 0.000 2.492 248 H HA 0.369 4.921 4.556 -0.008 0.000 0.345 248 H C -2.104 173.139 175.328 -0.141 0.000 1.136 248 H CA -1.640 54.424 56.048 0.027 0.000 1.202 248 H CB 2.251 32.019 29.762 0.010 0.000 1.524 248 H HN 0.245 nan 8.280 nan 0.000 0.506 249 P HA -0.159 nan 4.420 nan 0.000 0.217 249 P C -0.043 177.104 177.300 -0.255 0.000 1.148 249 P CA 1.021 63.574 63.100 -0.911 0.000 0.834 249 P CB 0.283 31.373 31.700 -1.017 0.000 0.783 250 V N 0.722 120.791 119.914 0.260 0.000 2.328 250 V HA 0.254 4.370 4.120 -0.008 0.000 0.278 250 V C -2.279 173.817 176.094 0.004 0.000 1.021 250 V CA -2.249 60.110 62.300 0.099 0.000 0.838 250 V CB 1.073 32.947 31.823 0.084 0.000 0.999 250 V HN -0.093 nan 8.190 nan 0.000 0.447 251 P HA 0.173 nan 4.420 nan 0.000 0.262 251 P C 1.084 178.361 177.300 -0.038 0.000 1.182 251 P CA 1.517 64.614 63.100 -0.005 0.000 0.761 251 P CB 0.576 32.284 31.700 0.013 0.000 0.795 252 G N 1.932 110.703 108.800 -0.048 0.000 2.241 252 G HA2 -0.227 3.728 3.960 -0.008 0.000 0.244 252 G HA3 -0.227 3.728 3.960 -0.008 0.000 0.244 252 G C 0.274 175.102 174.900 -0.121 0.000 0.998 252 G CA -0.329 44.736 45.100 -0.059 0.000 0.621 252 G HN 0.395 nan 8.290 nan 0.000 0.519 253 M N 1.162 120.604 119.600 -0.264 0.000 2.228 253 M HA 0.356 4.831 4.480 -0.008 0.000 0.326 253 M C -2.303 173.809 176.300 -0.313 0.000 1.122 253 M CA -2.229 52.804 55.300 -0.445 0.000 1.161 253 M CB -0.317 31.677 32.600 -1.011 0.000 1.437 253 M HN -0.087 nan 8.290 nan 0.000 0.465 254 P HA 0.173 nan 4.420 nan 0.000 0.276 254 P C -0.126 177.252 177.300 0.130 0.000 1.264 254 P CA 0.017 63.113 63.100 -0.007 0.000 0.769 254 P CB 0.347 32.040 31.700 -0.012 0.000 0.840 255 A N 3.815 126.701 122.820 0.109 0.000 2.121 255 A HA -0.117 4.199 4.320 -0.008 0.000 0.218 255 A C 2.058 179.673 177.584 0.051 0.000 1.154 255 A CA 1.063 53.167 52.037 0.113 0.000 0.679 255 A CB -1.221 17.815 19.000 0.060 0.000 0.795 255 A HN 0.437 nan 8.150 nan 0.000 0.458 256 V N 0.999 120.933 119.914 0.033 0.000 2.453 256 V HA -0.279 3.836 4.120 -0.008 0.000 0.252 256 V C 1.884 177.980 176.094 0.003 0.000 1.068 256 V CA 2.549 64.859 62.300 0.017 0.000 1.070 256 V CB -0.854 30.983 31.823 0.023 0.000 0.664 256 V HN 0.641 nan 8.190 nan 0.000 0.461 257 N N -0.628 118.043 118.700 -0.047 0.000 2.381 257 N HA -0.051 4.684 4.740 -0.008 0.000 0.182 257 N C 0.637 176.161 175.510 0.024 0.000 1.025 257 N CA 1.022 53.962 53.050 -0.184 0.000 0.888 257 N CB -0.628 37.468 38.487 -0.651 0.000 0.965 257 N HN 0.491 nan 8.380 nan 0.000 0.438 258 C N 0.834 120.131 119.300 -0.006 0.000 2.382 258 C HA 0.397 4.853 4.460 -0.008 0.000 0.363 258 C C 1.137 176.096 174.990 -0.052 0.000 1.213 258 C CA -1.092 57.873 59.018 -0.089 0.000 2.363 258 C CB 0.965 28.633 27.740 -0.119 0.000 2.397 258 C HN 0.407 nan 8.230 nan 0.000 0.573 259 T N 0.327 114.843 114.554 -0.064 0.000 2.856 259 T HA 0.146 4.492 4.350 -0.008 0.000 0.306 259 T C -0.096 174.539 174.700 -0.108 0.000 1.062 259 T CA -0.329 61.730 62.100 -0.069 0.000 1.083 259 T CB 0.379 69.213 68.868 -0.056 0.000 0.984 259 T HN 0.624 nan 8.240 nan 0.000 0.542 260 E N 2.001 122.134 120.200 -0.111 0.000 2.392 260 E HA 0.189 4.535 4.350 -0.008 0.000 0.264 260 E C 0.254 176.746 176.600 -0.180 0.000 1.024 260 E CA 0.090 56.420 56.400 -0.116 0.000 0.903 260 E CB 0.968 30.614 29.700 -0.090 0.000 0.963 260 E HN 0.683 nan 8.360 nan 0.000 0.432 261 Q N 0.112 119.794 119.800 -0.197 0.000 3.184 261 Q HA 0.419 4.755 4.340 -0.008 0.000 0.236 261 Q C -0.388 175.470 176.000 -0.237 0.000 1.038 261 Q CA -0.895 54.681 55.803 -0.379 0.000 0.857 261 Q CB 0.702 29.047 28.738 -0.654 0.000 1.957 261 Q HN 0.446 nan 8.270 nan 0.000 0.453 262 F N 0.052 119.770 119.950 -0.388 0.000 3.034 262 F HA -0.225 4.297 4.527 -0.008 0.000 0.286 262 F C 0.970 176.519 175.800 -0.418 0.000 0.804 262 F CA 1.014 58.809 58.000 -0.343 0.000 1.161 262 F CB -2.008 36.852 39.000 -0.234 0.000 1.317 262 F HN 0.833 nan 8.300 nan 0.000 0.453 263 G N -0.816 107.621 108.800 -0.604 0.000 2.168 263 G HA2 -0.245 3.711 3.960 -0.008 0.000 0.257 263 G HA3 -0.245 3.711 3.960 -0.008 0.000 0.257 263 G C 0.089 174.803 174.900 -0.309 0.000 0.997 263 G CA 0.022 44.596 45.100 -0.877 0.000 0.708 263 G HN 0.721 nan 8.290 nan 0.000 0.520 264 V N 2.047 121.852 119.914 -0.181 0.000 2.479 264 V HA 0.283 4.399 4.120 -0.008 0.000 0.281 264 V C -1.196 174.849 176.094 -0.081 0.000 1.031 264 V CA -0.940 61.305 62.300 -0.092 0.000 1.038 264 V CB 0.979 32.762 31.823 -0.066 0.000 0.981 264 V HN 0.163 nan 8.190 nan 0.000 0.478 265 P HA 0.415 nan 4.420 nan 0.000 0.268 265 P C 0.186 177.466 177.300 -0.034 0.000 1.205 265 P CA 0.366 63.454 63.100 -0.020 0.000 0.771 265 P CB 0.864 32.570 31.700 0.010 0.000 0.858 266 G N 2.111 110.887 108.800 -0.040 0.000 2.600 266 G HA2 0.543 4.499 3.960 -0.008 0.000 0.293 266 G HA3 0.543 4.499 3.960 -0.008 0.000 0.293 266 G C -3.276 171.576 174.900 -0.079 0.000 1.408 266 G CA -1.280 43.778 45.100 -0.071 0.000 0.782 266 G HN 0.205 nan 8.290 nan 0.000 0.482 267 P HA 0.031 nan 4.420 nan 0.000 0.272 267 P C 1.237 178.366 177.300 -0.285 0.000 1.223 267 P CA -0.366 62.636 63.100 -0.162 0.000 0.784 267 P CB 0.703 32.193 31.700 -0.351 0.000 0.923 268 W N 4.791 125.929 121.300 -0.271 0.000 2.277 268 W HA -0.270 4.386 4.660 -0.008 0.000 0.327 268 W C 1.390 177.825 176.519 -0.139 0.000 1.284 268 W CA 2.233 59.359 57.345 -0.365 0.000 1.277 268 W CB -2.557 26.310 29.460 -0.990 0.000 1.141 268 W HN 0.517 nan 8.180 nan 0.000 0.482 269 H N 0.344 118.496 119.070 -1.528 0.000 2.556 269 H HA 0.201 4.752 4.556 -0.008 0.000 0.268 269 H C 0.742 175.697 175.328 -0.622 0.000 0.996 269 H CA 1.100 56.425 56.048 -1.206 0.000 1.157 269 H CB -0.932 27.773 29.762 -1.762 0.000 1.355 269 H HN 0.379 nan 8.280 nan 0.000 0.597 270 E N 0.283 119.994 120.200 -0.816 0.000 2.501 270 E HA 0.162 4.508 4.350 -0.008 0.000 0.200 270 E C 1.120 177.551 176.600 -0.282 0.000 1.016 270 E CA -0.229 55.846 56.400 -0.541 0.000 0.921 270 E CB 0.696 30.047 29.700 -0.582 0.000 1.034 270 E HN 0.230 nan 8.360 nan 0.000 0.468 271 R N -0.572 119.806 120.500 -0.204 0.000 2.561 271 R HA 0.212 4.547 4.340 -0.008 0.000 0.213 271 R C 2.005 178.317 176.300 0.021 0.000 0.885 271 R CA 0.055 56.113 56.100 -0.070 0.000 1.002 271 R CB -0.003 30.276 30.300 -0.035 0.000 1.432 271 R HN 0.111 nan 8.270 nan 0.000 0.651 272 L N 1.711 122.951 121.223 0.028 0.000 2.017 272 L HA -0.025 4.311 4.340 -0.008 0.000 0.208 272 L C -1.282 175.570 176.870 -0.029 0.000 1.073 272 L CA 1.048 55.934 54.840 0.077 0.000 0.745 272 L CB -1.441 40.711 42.059 0.154 0.000 0.894 272 L HN 0.004 nan 8.230 nan 0.000 0.432 273 P HA -0.009 nan 4.420 nan 0.000 0.272 273 P C -0.149 177.082 177.300 -0.115 0.000 1.230 273 P CA 0.444 63.437 63.100 -0.178 0.000 0.788 273 P CB 0.296 31.916 31.700 -0.134 0.000 0.949 274 H N -0.641 118.286 119.070 -0.238 0.000 2.535 274 H HA 0.149 4.701 4.556 -0.008 0.000 0.273 274 H C -0.058 174.808 175.328 -0.771 0.000 0.983 274 H CA 0.215 55.957 56.048 -0.509 0.000 1.238 274 H CB -0.071 29.116 29.762 -0.960 0.000 1.412 274 H HN 0.303 nan 8.280 nan 0.000 0.562 275 F N 1.528 121.506 119.950 0.048 0.000 2.507 275 F HA 0.288 4.811 4.527 -0.007 0.000 0.325 275 F C 0.369 176.195 175.800 0.044 0.000 1.116 275 F CA -1.456 56.578 58.000 0.056 0.000 0.930 275 F CB 1.149 40.245 39.000 0.161 0.000 1.146 275 F HN -0.008 nan 8.300 nan 0.000 0.447 276 R N 1.397 122.028 120.500 0.219 0.000 2.641 276 R HA 0.589 4.925 4.340 -0.008 0.000 0.269 276 R C 0.695 177.105 176.300 0.183 0.000 1.074 276 R CA 0.051 56.225 56.100 0.123 0.000 1.133 276 R CB 0.588 30.942 30.300 0.090 0.000 1.029 276 R HN 0.756 nan 8.270 nan 0.000 0.488 277 A N 2.140 125.008 122.820 0.080 0.000 1.972 277 A HA -0.168 4.148 4.320 -0.008 0.000 0.219 277 A C 1.698 179.455 177.584 0.289 0.000 1.169 277 A CA 1.515 53.632 52.037 0.133 0.000 0.635 277 A CB -0.460 18.574 19.000 0.057 0.000 0.810 277 A HN 0.917 nan 8.150 nan 0.000 0.446 278 E N -1.220 119.102 120.200 0.205 0.000 2.265 278 E HA -0.054 4.292 4.350 -0.008 0.000 0.196 278 E C 0.272 177.026 176.600 0.257 0.000 0.996 278 E CA 0.282 56.794 56.400 0.187 0.000 0.832 278 E CB -0.219 29.563 29.700 0.136 0.000 0.756 278 E HN 0.586 nan 8.360 nan 0.000 0.491 279 F N 1.840 121.901 119.950 0.185 0.000 2.438 279 F HA 0.172 4.694 4.527 -0.007 0.000 0.360 279 F C -0.044 175.885 175.800 0.214 0.000 1.118 279 F CA -0.528 57.581 58.000 0.183 0.000 1.164 279 F CB 0.477 39.601 39.000 0.206 0.000 1.131 279 F HN -0.226 nan 8.300 nan 0.000 0.527 280 T N 5.340 119.677 114.554 -0.361 0.000 3.466 280 T HA 0.379 4.725 4.350 -0.008 0.000 0.297 280 T C -2.640 171.839 174.700 -0.368 0.000 1.640 280 T CA -1.427 60.435 62.100 -0.396 0.000 1.631 280 T CB -0.046 68.650 68.868 -0.287 0.000 0.928 280 T HN 0.436 nan 8.240 nan 0.000 0.688 281 P HA 0.238 nan 4.420 nan 0.000 0.276 281 P C 0.933 178.308 177.300 0.124 0.000 1.235 281 P CA -0.336 62.662 63.100 -0.170 0.000 0.772 281 P CB 1.566 33.196 31.700 -0.117 0.000 0.871 282 S N 1.322 117.038 115.700 0.026 0.000 2.527 282 S HA 0.092 4.557 4.470 -0.008 0.000 0.222 282 S C 0.763 175.260 174.600 -0.171 0.000 0.985 282 S CA 0.346 58.570 58.200 0.039 0.000 0.921 282 S CB -0.438 62.742 63.200 -0.033 0.000 0.772 282 S HN 0.711 nan 8.310 nan 0.000 0.529 283 S N -1.370 114.032 115.700 -0.497 0.000 2.643 283 S HA 0.775 5.240 4.470 -0.008 0.000 0.270 283 S C -0.601 173.195 174.600 -1.340 0.000 1.166 283 S CA -0.503 56.900 58.200 -1.327 0.000 0.815 283 S CB 1.092 63.862 63.200 -0.716 0.000 1.139 283 S HN 0.800 nan 8.310 nan 0.000 0.472 284 G N -0.610 107.216 108.800 -1.622 0.000 2.682 284 G HA2 0.701 4.656 3.960 -0.008 0.000 0.300 284 G HA3 0.701 4.656 3.960 -0.008 0.000 0.300 284 G C -0.581 174.125 174.900 -0.324 0.000 1.391 284 G CA -0.395 44.260 45.100 -0.741 0.000 0.990 284 G HN 1.365 nan 8.290 nan 0.000 0.501 285 A N 1.929 124.692 122.820 -0.096 0.000 3.056 285 A HA 0.619 4.935 4.320 -0.008 0.000 0.274 285 A C 0.408 178.052 177.584 0.101 0.000 1.661 285 A CA -0.193 51.842 52.037 -0.004 0.000 1.363 285 A CB -0.610 18.388 19.000 -0.002 0.000 1.139 285 A HN 0.809 nan 8.150 nan 0.000 0.598 286 E N 0.888 121.198 120.200 0.183 0.000 2.430 286 E HA 0.713 5.059 4.350 -0.008 0.000 0.279 286 E C -1.741 175.059 176.600 0.333 0.000 1.003 286 E CA -0.925 55.630 56.400 0.259 0.000 0.801 286 E CB 1.073 30.951 29.700 0.296 0.000 1.313 286 E HN 0.242 nan 8.360 nan 0.000 0.459 287 L N 0.375 121.747 121.223 0.248 0.000 2.286 287 L HA 0.552 4.888 4.340 -0.008 0.000 0.265 287 L C -0.267 176.500 176.870 -0.172 0.000 1.012 287 L CA -0.910 54.005 54.840 0.125 0.000 0.818 287 L CB 1.987 44.220 42.059 0.289 0.000 1.337 287 L HN 0.563 nan 8.230 nan 0.000 0.438 288 Q N 0.108 119.570 119.800 -0.563 0.000 2.379 288 Q HA 0.613 4.948 4.340 -0.008 0.000 0.278 288 Q C -1.630 174.283 176.000 -0.145 0.000 1.068 288 Q CA -0.657 54.853 55.803 -0.488 0.000 0.816 288 Q CB 2.846 31.202 28.738 -0.638 0.000 1.387 288 Q HN 0.578 nan 8.270 nan 0.000 0.413 289 S N 0.801 116.423 115.700 -0.130 0.000 2.569 289 S HA 0.624 5.090 4.470 -0.008 0.000 0.280 289 S C -1.448 173.095 174.600 -0.095 0.000 1.111 289 S CA -0.752 57.486 58.200 0.062 0.000 0.887 289 S CB 2.318 65.784 63.200 0.442 0.000 1.095 289 S HN 0.597 nan 8.310 nan 0.000 0.476 290 E N 0.595 120.670 120.200 -0.209 0.000 2.372 290 E HA 0.487 4.833 4.350 -0.008 0.000 0.279 290 E C -2.129 174.160 176.600 -0.517 0.000 0.946 290 E CA -0.507 55.834 56.400 -0.098 0.000 0.769 290 E CB 1.287 31.117 29.700 0.217 0.000 1.230 290 E HN 0.604 nan 8.360 nan 0.000 0.442 291 Y N 2.159 122.602 120.300 0.239 0.000 2.391 291 Y HA 0.489 5.034 4.550 -0.007 0.000 0.341 291 Y C -0.686 175.276 175.900 0.104 0.000 0.965 291 Y CA -0.798 57.389 58.100 0.145 0.000 1.067 291 Y CB 1.529 40.083 38.460 0.157 0.000 1.199 291 Y HN 0.345 nan 8.280 nan 0.000 0.450 292 L N 4.700 126.000 121.223 0.128 0.000 2.343 292 L HA 0.639 4.974 4.340 -0.008 0.000 0.278 292 L C -0.569 176.332 176.870 0.053 0.000 0.996 292 L CA -0.179 54.686 54.840 0.042 0.000 0.831 292 L CB 1.252 43.282 42.059 -0.048 0.000 1.232 292 L HN 0.625 nan 8.230 nan 0.000 0.413 293 M N 3.531 123.172 119.600 0.069 0.000 2.716 293 M HA 0.575 5.050 4.480 -0.008 0.000 0.307 293 M C -2.450 173.886 176.300 0.061 0.000 1.223 293 M CA -1.894 53.468 55.300 0.104 0.000 0.871 293 M CB 2.333 35.035 32.600 0.170 0.000 1.739 293 M HN 0.196 nan 8.290 nan 0.000 0.475 294 P HA -0.012 nan 4.420 nan 0.000 0.264 294 P C -0.138 177.125 177.300 -0.061 0.000 1.183 294 P CA 0.146 63.227 63.100 -0.031 0.000 0.763 294 P CB 0.474 32.113 31.700 -0.102 0.000 0.807 295 R N 5.123 125.582 120.500 -0.068 0.000 2.127 295 R HA -0.201 4.135 4.340 -0.008 0.000 0.238 295 R C 1.755 178.008 176.300 -0.077 0.000 1.134 295 R CA 1.918 57.994 56.100 -0.041 0.000 0.975 295 R CB -0.985 29.297 30.300 -0.029 0.000 0.865 295 R HN 0.525 nan 8.270 nan 0.000 0.447 296 E N -0.595 119.505 120.200 -0.167 0.000 2.333 296 E HA -0.218 4.128 4.350 -0.008 0.000 0.198 296 E C 0.658 177.135 176.600 -0.206 0.000 1.007 296 E CA 1.457 57.737 56.400 -0.201 0.000 0.845 296 E CB -0.498 29.053 29.700 -0.249 0.000 0.766 296 E HN 0.697 nan 8.360 nan 0.000 0.507 297 H N -0.006 119.019 119.070 -0.075 0.000 2.539 297 H HA 0.363 4.914 4.556 -0.008 0.000 0.269 297 H C 1.969 177.100 175.328 -0.328 0.000 0.980 297 H CA 0.059 56.000 56.048 -0.179 0.000 1.152 297 H CB 0.570 30.281 29.762 -0.084 0.000 1.407 297 H HN 0.318 nan 8.280 nan 0.000 0.564 298 A N 1.227 123.942 122.820 -0.174 0.000 1.873 298 A HA -0.197 4.119 4.320 -0.008 0.000 0.218 298 A C 2.136 179.469 177.584 -0.418 0.000 1.193 298 A CA 1.390 53.242 52.037 -0.310 0.000 0.629 298 A CB -0.719 18.018 19.000 -0.438 0.000 0.826 298 A HN 0.371 nan 8.150 nan 0.000 0.447 299 L N -1.073 119.901 121.223 -0.415 0.000 2.056 299 L HA -0.172 4.164 4.340 -0.008 0.000 0.207 299 L C 3.107 179.915 176.870 -0.104 0.000 1.078 299 L CA 1.036 55.723 54.840 -0.254 0.000 0.749 299 L CB -0.590 41.386 42.059 -0.138 0.000 0.901 299 L HN 0.463 nan 8.230 nan 0.000 0.433 300 A N 0.026 122.711 122.820 -0.226 0.000 1.933 300 A HA -0.135 4.180 4.320 -0.008 0.000 0.218 300 A C 2.518 179.768 177.584 -0.557 0.000 1.175 300 A CA 1.660 53.515 52.037 -0.303 0.000 0.628 300 A CB -0.595 18.214 19.000 -0.317 0.000 0.814 300 A HN 0.400 nan 8.150 nan 0.000 0.444 301 A N -0.265 122.060 122.820 -0.826 0.000 1.898 301 A HA 0.017 4.332 4.320 -0.008 0.000 0.216 301 A C 2.143 179.636 177.584 -0.151 0.000 1.181 301 A CA 1.372 53.068 52.037 -0.569 0.000 0.620 301 A CB -0.563 18.203 19.000 -0.391 0.000 0.819 301 A HN 0.458 nan 8.150 nan 0.000 0.442 302 L N -1.340 119.824 121.223 -0.099 0.000 2.083 302 L HA -0.179 4.157 4.340 -0.008 0.000 0.209 302 L C 2.616 179.456 176.870 -0.050 0.000 1.083 302 L CA 1.171 56.042 54.840 0.052 0.000 0.752 302 L CB -0.671 41.429 42.059 0.068 0.000 0.899 302 L HN 0.475 nan 8.230 nan 0.000 0.433 303 H N -0.484 118.581 119.070 -0.009 0.000 2.395 303 H HA -0.017 4.534 4.556 -0.008 0.000 0.299 303 H C 2.264 177.577 175.328 -0.026 0.000 1.070 303 H CA 1.293 57.340 56.048 -0.002 0.000 1.356 303 H CB 0.138 29.893 29.762 -0.012 0.000 1.401 303 H HN 0.346 nan 8.280 nan 0.000 0.524 304 A N 0.986 123.850 122.820 0.073 0.000 1.902 304 A HA -0.167 4.148 4.320 -0.008 0.000 0.217 304 A C 2.594 180.126 177.584 -0.087 0.000 1.181 304 A CA 1.434 53.501 52.037 0.050 0.000 0.623 304 A CB -0.572 18.535 19.000 0.178 0.000 0.818 304 A HN 0.255 nan 8.150 nan 0.000 0.443 305 M N -0.847 118.639 119.600 -0.190 0.000 2.117 305 M HA -0.157 4.319 4.480 -0.008 0.000 0.262 305 M C 1.990 177.856 176.300 -0.722 0.000 1.065 305 M CA 2.055 57.048 55.300 -0.512 0.000 1.114 305 M CB -0.548 31.654 32.600 -0.663 0.000 1.361 305 M HN 0.589 nan 8.290 nan 0.000 0.408 306 D N 0.495 120.606 120.400 -0.482 0.000 2.123 306 D HA -0.167 4.469 4.640 -0.008 0.000 0.196 306 D C 1.833 178.076 176.300 -0.096 0.000 0.992 306 D CA 1.774 55.668 54.000 -0.176 0.000 0.833 306 D CB 0.096 40.924 40.800 0.046 0.000 0.954 306 D HN 0.305 nan 8.370 nan 0.000 0.455 307 A N 0.381 123.158 122.820 -0.072 0.000 2.019 307 A HA -0.037 4.279 4.320 -0.008 0.000 0.219 307 A C 2.155 179.699 177.584 -0.066 0.000 1.164 307 A CA 1.329 53.346 52.037 -0.033 0.000 0.644 307 A CB -0.867 18.129 19.000 -0.006 0.000 0.805 307 A HN 0.601 nan 8.150 nan 0.000 0.449 308 I N -2.604 117.886 120.570 -0.133 0.000 3.889 308 I HA 0.204 4.370 4.170 -0.008 0.000 0.332 308 I C 1.561 177.593 176.117 -0.143 0.000 1.493 308 I CA 0.042 61.265 61.300 -0.127 0.000 1.158 308 I CB 0.024 37.941 38.000 -0.138 0.000 1.117 308 I HN 0.296 nan 8.210 nan 0.000 0.411 309 R N 1.112 121.534 120.500 -0.131 0.000 2.152 309 R HA -0.085 4.250 4.340 -0.008 0.000 0.232 309 R C 1.167 177.498 176.300 0.052 0.000 1.117 309 R CA 1.444 57.508 56.100 -0.059 0.000 0.981 309 R CB -0.595 29.780 30.300 0.124 0.000 0.870 309 R HN 0.510 nan 8.270 nan 0.000 0.451 310 E N 0.556 120.777 120.200 0.034 0.000 2.204 310 E HA -0.091 4.255 4.350 -0.008 0.000 0.194 310 E C 1.447 178.069 176.600 0.037 0.000 0.989 310 E CA 1.621 58.049 56.400 0.048 0.000 0.824 310 E CB 0.065 29.783 29.700 0.031 0.000 0.756 310 E HN 0.423 nan 8.360 nan 0.000 0.477 311 T N 1.176 115.732 114.554 0.004 0.000 2.896 311 T HA -0.029 4.316 4.350 -0.008 0.000 0.263 311 T C 1.933 176.647 174.700 0.024 0.000 1.050 311 T CA 0.590 62.684 62.100 -0.009 0.000 1.140 311 T CB -0.012 68.827 68.868 -0.049 0.000 0.877 311 T HN 0.075 nan 8.240 nan 0.000 0.457 312 L N 0.842 122.094 121.223 0.049 0.000 2.072 312 L HA 0.037 4.373 4.340 -0.008 0.000 0.205 312 L C 3.094 180.148 176.870 0.307 0.000 1.079 312 L CA 1.065 56.016 54.840 0.185 0.000 0.752 312 L CB -0.723 41.411 42.059 0.126 0.000 0.906 312 L HN 0.206 nan 8.230 nan 0.000 0.436 313 A N 0.642 123.618 122.820 0.259 0.000 1.908 313 A HA -0.126 4.189 4.320 -0.008 0.000 0.218 313 A C -0.024 177.694 177.584 0.223 0.000 1.181 313 A CA 1.711 53.913 52.037 0.274 0.000 0.627 313 A CB -1.811 17.322 19.000 0.222 0.000 0.818 313 A HN 0.289 nan 8.150 nan 0.000 0.445 314 P HA -0.070 nan 4.420 nan 0.000 0.222 314 P C 1.057 178.442 177.300 0.142 0.000 1.147 314 P CA 1.595 64.769 63.100 0.124 0.000 0.790 314 P CB -0.102 31.644 31.700 0.077 0.000 0.780 315 V N -4.997 115.032 119.914 0.192 0.000 3.376 315 V HA 0.272 4.388 4.120 -0.008 0.000 0.313 315 V C 0.345 176.699 176.094 0.433 0.000 1.393 315 V CA -0.451 61.982 62.300 0.222 0.000 1.125 315 V CB -0.633 31.235 31.823 0.075 0.000 1.037 315 V HN -0.128 nan 8.190 nan 0.000 0.440 316 L N 1.218 122.689 121.223 0.414 0.000 2.295 316 L HA 0.502 4.837 4.340 -0.008 0.000 0.285 316 L C 1.142 178.161 176.870 0.248 0.000 1.035 316 L CA 0.478 55.566 54.840 0.413 0.000 0.806 316 L CB 1.752 44.059 42.059 0.414 0.000 1.214 316 L HN 0.191 nan 8.230 nan 0.000 0.426 317 Q N 1.708 121.626 119.800 0.197 0.000 2.061 317 Q HA 0.136 4.471 4.340 -0.008 0.000 0.195 317 Q C -0.050 176.013 176.000 0.106 0.000 0.967 317 Q CA 0.877 56.763 55.803 0.137 0.000 0.829 317 Q CB 0.368 29.188 28.738 0.137 0.000 0.900 317 Q HN 0.712 nan 8.270 nan 0.000 0.450 318 T N -1.044 113.561 114.554 0.085 0.000 2.886 318 T HA 0.281 4.626 4.350 -0.008 0.000 0.330 318 T C -2.062 172.636 174.700 -0.003 0.000 1.488 318 T CA -0.641 61.500 62.100 0.069 0.000 1.054 318 T CB 1.582 70.506 68.868 0.093 0.000 1.348 318 T HN 0.299 nan 8.240 nan 0.000 0.489 319 C N 3.466 122.724 119.300 -0.071 0.000 2.382 319 C HA 0.843 5.299 4.460 -0.008 0.000 0.327 319 C C -0.325 174.575 174.990 -0.151 0.000 1.250 319 C CA -0.278 58.557 59.018 -0.305 0.000 1.707 319 C CB 0.331 27.823 27.740 -0.414 0.000 2.272 319 C HN 1.000 nan 8.230 nan 0.000 0.506 320 E N 5.092 125.183 120.200 -0.182 0.000 2.199 320 E HA 0.557 4.902 4.350 -0.008 0.000 0.265 320 E C -1.111 175.334 176.600 -0.258 0.000 0.882 320 E CA -0.591 55.597 56.400 -0.354 0.000 0.759 320 E CB 1.069 30.586 29.700 -0.305 0.000 1.148 320 E HN 0.678 nan 8.360 nan 0.000 0.412 321 I N 4.334 124.718 120.570 -0.311 0.000 2.354 321 I HA 0.455 4.621 4.170 -0.008 0.000 0.292 321 I C 0.308 176.310 176.117 -0.191 0.000 0.989 321 I CA -0.388 60.815 61.300 -0.162 0.000 1.188 321 I CB 0.985 38.916 38.000 -0.116 0.000 1.342 321 I HN 0.601 nan 8.210 nan 0.000 0.457 322 R N 2.855 123.304 120.500 -0.085 0.000 2.855 322 R HA 0.744 5.080 4.340 -0.008 0.000 0.266 322 R C -0.504 175.763 176.300 -0.055 0.000 1.034 322 R CA -0.790 55.264 56.100 -0.077 0.000 0.944 322 R CB 2.562 32.861 30.300 -0.002 0.000 1.219 322 R HN 0.719 nan 8.270 nan 0.000 0.474 323 T N -1.978 112.531 114.554 -0.075 0.000 2.924 323 T HA 0.737 5.082 4.350 -0.008 0.000 0.291 323 T C -0.655 173.989 174.700 -0.095 0.000 1.045 323 T CA -0.721 61.331 62.100 -0.081 0.000 1.015 323 T CB 1.730 70.542 68.868 -0.094 0.000 1.103 323 T HN 0.193 nan 8.240 nan 0.000 0.496 324 V N 0.833 120.682 119.914 -0.109 0.000 2.777 324 V HA 0.736 4.852 4.120 -0.008 0.000 0.306 324 V C 0.382 176.426 176.094 -0.084 0.000 1.112 324 V CA -1.261 60.976 62.300 -0.106 0.000 0.917 324 V CB 1.566 33.284 31.823 -0.176 0.000 1.018 324 V HN 1.400 nan 8.190 nan 0.000 0.426 325 A N 2.949 125.728 122.820 -0.069 0.000 2.386 325 A HA 0.752 5.068 4.320 -0.008 0.000 0.248 325 A C 0.856 178.409 177.584 -0.052 0.000 1.082 325 A CA 0.399 52.400 52.037 -0.060 0.000 0.789 325 A CB 0.352 19.320 19.000 -0.053 0.000 1.025 325 A HN 1.831 nan 8.150 nan 0.000 0.490 326 A N 1.633 124.417 122.820 -0.061 0.000 2.587 326 A HA 0.304 4.619 4.320 -0.008 0.000 0.235 326 A C 0.234 177.788 177.584 -0.050 0.000 1.044 326 A CA 0.452 52.444 52.037 -0.076 0.000 0.754 326 A CB -0.129 18.809 19.000 -0.102 0.000 0.968 326 A HN 0.830 nan 8.150 nan 0.000 0.509 327 D N 1.412 121.790 120.400 -0.037 0.000 2.185 327 D HA 0.554 5.190 4.640 -0.008 0.000 0.247 327 D C 0.840 177.179 176.300 0.066 0.000 1.027 327 D CA 0.312 54.333 54.000 0.036 0.000 0.861 327 D CB 1.798 42.651 40.800 0.088 0.000 1.202 327 D HN 0.434 nan 8.370 nan 0.000 0.453 328 A N 3.729 126.619 122.820 0.116 0.000 2.067 328 A HA -0.037 4.278 4.320 -0.008 0.000 0.217 328 A C 0.982 178.761 177.584 0.326 0.000 1.156 328 A CA 0.539 52.703 52.037 0.213 0.000 0.683 328 A CB -0.058 19.044 19.000 0.171 0.000 0.808 328 A HN 0.497 nan 8.150 nan 0.000 0.455 329 Q N -0.110 119.811 119.800 0.203 0.000 2.297 329 Q HA -0.012 4.324 4.340 -0.008 0.000 0.267 329 Q C 0.349 176.536 176.000 0.313 0.000 1.006 329 Q CA -0.277 55.568 55.803 0.070 0.000 0.896 329 Q CB 0.379 29.108 28.738 -0.015 0.000 1.186 329 Q HN 0.694 nan 8.270 nan 0.000 0.392 330 W N 2.519 123.866 121.300 0.078 0.000 2.325 330 W HA -0.166 4.489 4.660 -0.008 0.000 0.299 330 W C 1.422 177.876 176.519 -0.108 0.000 1.215 330 W CA 0.645 57.893 57.345 -0.162 0.000 1.244 330 W CB -0.422 28.982 29.460 -0.094 0.000 1.140 330 W HN 0.510 nan 8.180 nan 0.000 0.523 331 L N 0.124 121.401 121.223 0.090 0.000 2.640 331 L HA 0.141 4.477 4.340 -0.008 0.000 0.230 331 L C 1.239 178.289 176.870 0.300 0.000 1.123 331 L CA -0.096 54.718 54.840 -0.043 0.000 0.900 331 L CB -0.415 41.353 42.059 -0.486 0.000 1.146 331 L HN -0.282 nan 8.230 nan 0.000 0.484 332 S N 0.909 116.800 115.700 0.319 0.000 2.549 332 S HA 0.082 4.547 4.470 -0.008 0.000 0.286 332 S C -1.361 173.486 174.600 0.411 0.000 1.314 332 S CA -1.009 57.381 58.200 0.317 0.000 1.062 332 S CB 0.991 64.333 63.200 0.237 0.000 0.865 332 S HN -0.029 nan 8.310 nan 0.000 0.498 333 P HA 0.011 nan 4.420 nan 0.000 0.221 333 P C 0.521 177.857 177.300 0.060 0.000 1.145 333 P CA 1.009 64.174 63.100 0.108 0.000 0.795 333 P CB 0.069 31.722 31.700 -0.078 0.000 0.775 334 A N -2.136 120.726 122.820 0.070 0.000 2.337 334 A HA 0.024 4.340 4.320 -0.008 0.000 0.227 334 A C 0.325 177.951 177.584 0.069 0.000 1.259 334 A CA -0.460 51.591 52.037 0.024 0.000 0.870 334 A CB -1.486 17.497 19.000 -0.029 0.000 0.927 334 A HN 0.106 nan 8.150 nan 0.000 0.497 335 Y N 0.967 121.317 120.300 0.083 0.000 2.881 335 Y HA 0.235 4.781 4.550 -0.008 0.000 0.335 335 Y C 1.396 177.336 175.900 0.067 0.000 1.263 335 Y CA 1.044 59.215 58.100 0.118 0.000 1.572 335 Y CB 0.044 38.629 38.460 0.208 0.000 1.237 335 Y HN 0.570 nan 8.280 nan 0.000 0.568 336 G N 5.035 113.310 108.800 -0.876 0.000 2.189 336 G HA2 -0.305 3.650 3.960 -0.008 0.000 0.267 336 G HA3 -0.305 3.650 3.960 -0.008 0.000 0.267 336 G C -0.035 174.670 174.900 -0.325 0.000 0.975 336 G CA 0.514 45.118 45.100 -0.827 0.000 0.644 336 G HN 1.031 nan 8.290 nan 0.000 0.537 337 R N -0.630 119.750 120.500 -0.200 0.000 2.566 337 R HA 0.516 4.851 4.340 -0.008 0.000 0.271 337 R C -1.691 174.555 176.300 -0.091 0.000 1.071 337 R CA -1.027 55.002 56.100 -0.119 0.000 0.915 337 R CB 1.027 31.275 30.300 -0.087 0.000 1.228 337 R HN -0.045 nan 8.270 nan 0.000 0.449 338 D N 1.785 122.138 120.400 -0.079 0.000 2.443 338 D HA 0.203 4.839 4.640 -0.008 0.000 0.239 338 D C -0.449 175.814 176.300 -0.062 0.000 1.136 338 D CA 0.768 54.728 54.000 -0.068 0.000 0.879 338 D CB 1.335 42.099 40.800 -0.060 0.000 1.195 338 D HN 0.432 nan 8.370 nan 0.000 0.443 339 T N 0.700 115.218 114.554 -0.061 0.000 2.900 339 T HA 0.435 4.781 4.350 -0.008 0.000 0.295 339 T C -0.885 173.789 174.700 -0.043 0.000 1.044 339 T CA -0.619 61.448 62.100 -0.056 0.000 0.995 339 T CB 2.119 70.936 68.868 -0.085 0.000 1.072 339 T HN 0.091 nan 8.240 nan 0.000 0.473 340 V N 2.135 122.043 119.914 -0.011 0.000 2.513 340 V HA 0.889 5.005 4.120 -0.008 0.000 0.299 340 V C -0.702 175.402 176.094 0.016 0.000 1.035 340 V CA -0.551 61.760 62.300 0.019 0.000 0.889 340 V CB 1.158 33.020 31.823 0.065 0.000 0.988 340 V HN 1.102 nan 8.190 nan 0.000 0.440 341 A N 5.428 128.255 122.820 0.010 0.000 2.355 341 A HA 0.952 5.267 4.320 -0.008 0.000 0.317 341 A C -0.299 177.349 177.584 0.108 0.000 1.094 341 A CA -0.187 51.874 52.037 0.040 0.000 0.764 341 A CB 1.691 20.665 19.000 -0.044 0.000 1.230 341 A HN 1.841 nan 8.150 nan 0.000 0.448 342 A N 2.015 124.952 122.820 0.196 0.000 2.323 342 A HA 0.610 4.926 4.320 -0.008 0.000 0.305 342 A C -0.686 177.037 177.584 0.231 0.000 1.275 342 A CA -0.364 51.795 52.037 0.204 0.000 0.804 342 A CB 0.050 19.265 19.000 0.359 0.000 1.152 342 A HN 1.123 nan 8.150 nan 0.000 0.487 343 H N 1.477 120.492 119.070 -0.092 0.000 2.463 343 H HA 0.721 5.272 4.556 -0.008 0.000 0.332 343 H C -1.658 173.387 175.328 -0.472 0.000 1.127 343 H CA -0.653 55.336 56.048 -0.099 0.000 1.238 343 H CB 0.742 30.463 29.762 -0.070 0.000 1.478 343 H HN 0.446 nan 8.280 nan 0.000 0.499 344 F N 2.773 122.097 119.950 -1.043 0.000 2.507 344 F HA 0.276 4.798 4.527 -0.008 0.000 0.328 344 F C -0.146 174.886 175.800 -1.280 0.000 1.136 344 F CA -0.809 56.543 58.000 -1.079 0.000 0.930 344 F CB 2.200 40.316 39.000 -1.473 0.000 1.166 344 F HN 0.454 nan 8.300 nan 0.000 0.436 345 T N 2.878 117.107 114.554 -0.543 0.000 2.738 345 T HA 0.232 4.577 4.350 -0.008 0.000 0.298 345 T C -0.602 174.022 174.700 -0.126 0.000 0.962 345 T CA -0.396 61.581 62.100 -0.205 0.000 0.972 345 T CB 0.073 69.020 68.868 0.132 0.000 0.928 345 T HN 0.383 nan 8.240 nan 0.000 0.474 346 W N 1.885 123.236 121.300 0.086 0.000 2.415 346 W HA 0.566 5.221 4.660 -0.008 0.000 0.355 346 W C 0.051 176.623 176.519 0.088 0.000 1.161 346 W CA -1.278 56.125 57.345 0.096 0.000 1.315 346 W CB 0.486 29.985 29.460 0.064 0.000 1.261 346 W HN 0.244 nan 8.180 nan 0.000 0.636 347 V N 1.289 121.414 119.914 0.351 0.000 2.872 347 V HA -0.129 3.987 4.120 -0.008 0.000 0.307 347 V C 0.500 176.709 176.094 0.191 0.000 1.072 347 V CA -0.124 62.305 62.300 0.215 0.000 1.148 347 V CB 0.701 32.620 31.823 0.161 0.000 0.954 347 V HN 0.593 nan 8.190 nan 0.000 0.490 348 E N 3.081 123.365 120.200 0.140 0.000 1.852 348 E HA 0.099 4.445 4.350 -0.008 0.000 0.276 348 E C -0.713 175.928 176.600 0.067 0.000 1.163 348 E CA -0.112 56.359 56.400 0.117 0.000 1.117 348 E CB -0.079 29.682 29.700 0.101 0.000 1.124 348 E HN 0.663 nan 8.360 nan 0.000 0.458 349 D N 2.623 123.052 120.400 0.049 0.000 2.364 349 D HA 0.096 4.732 4.640 -0.008 0.000 0.251 349 D C 0.470 176.755 176.300 -0.025 0.000 1.282 349 D CA -0.317 53.689 54.000 0.010 0.000 0.927 349 D CB 1.008 41.812 40.800 0.008 0.000 1.267 349 D HN 0.184 nan 8.370 nan 0.000 0.531 350 T N 0.904 115.448 114.554 -0.017 0.000 2.720 350 T HA -0.124 4.221 4.350 -0.008 0.000 0.268 350 T C 1.894 176.554 174.700 -0.067 0.000 1.037 350 T CA 1.713 63.790 62.100 -0.038 0.000 1.144 350 T CB 0.079 68.939 68.868 -0.013 0.000 0.864 350 T HN 0.497 nan 8.240 nan 0.000 0.444 351 A N 1.216 124.005 122.820 -0.050 0.000 1.933 351 A HA 0.152 4.468 4.320 -0.008 0.000 0.218 351 A C 2.566 180.104 177.584 -0.076 0.000 1.175 351 A CA 1.834 53.838 52.037 -0.055 0.000 0.628 351 A CB -0.906 18.072 19.000 -0.038 0.000 0.814 351 A HN 0.523 nan 8.150 nan 0.000 0.444 352 A N -1.006 121.766 122.820 -0.080 0.000 1.970 352 A HA 0.190 4.506 4.320 -0.008 0.000 0.216 352 A C 2.141 179.622 177.584 -0.173 0.000 1.170 352 A CA 1.373 53.352 52.037 -0.096 0.000 0.645 352 A CB -0.503 18.459 19.000 -0.062 0.000 0.816 352 A HN 0.316 nan 8.150 nan 0.000 0.447 353 V N 0.136 119.911 119.914 -0.232 0.000 2.407 353 V HA -0.165 3.950 4.120 -0.008 0.000 0.245 353 V C 2.506 178.344 176.094 -0.428 0.000 1.041 353 V CA 1.506 63.535 62.300 -0.452 0.000 1.040 353 V CB -0.674 30.828 31.823 -0.535 0.000 0.671 353 V HN 0.548 nan 8.190 nan 0.000 0.455 354 L N 0.158 121.229 121.223 -0.254 0.000 2.012 354 L HA -0.140 4.195 4.340 -0.008 0.000 0.210 354 L C 0.043 176.809 176.870 -0.174 0.000 1.073 354 L CA 1.843 56.571 54.840 -0.186 0.000 0.748 354 L CB -1.909 40.087 42.059 -0.106 0.000 0.891 354 L HN 0.374 nan 8.230 nan 0.000 0.431 355 P HA -0.113 nan 4.420 nan 0.000 0.218 355 P C 1.887 179.088 177.300 -0.165 0.000 1.149 355 P CA 1.034 64.054 63.100 -0.133 0.000 0.817 355 P CB 0.046 31.682 31.700 -0.107 0.000 0.785 356 V N -0.516 119.254 119.914 -0.241 0.000 2.323 356 V HA -0.173 3.942 4.120 -0.008 0.000 0.244 356 V C 2.525 178.444 176.094 -0.292 0.000 1.041 356 V CA 1.501 63.634 62.300 -0.279 0.000 1.025 356 V CB -1.196 30.404 31.823 -0.373 0.000 0.656 356 V HN -0.047 nan 8.190 nan 0.000 0.451 357 V N 0.294 119.998 119.914 -0.349 0.000 2.282 357 V HA -0.330 3.786 4.120 -0.008 0.000 0.249 357 V C 2.633 178.662 176.094 -0.108 0.000 1.057 357 V CA 2.595 64.793 62.300 -0.169 0.000 1.032 357 V CB -0.777 30.994 31.823 -0.088 0.000 0.645 357 V HN 0.497 nan 8.190 nan 0.000 0.447 358 R N 0.270 120.708 120.500 -0.105 0.000 2.081 358 R HA -0.179 4.156 4.340 -0.008 0.000 0.235 358 R C 2.334 178.569 176.300 -0.108 0.000 1.131 358 R CA 1.784 57.837 56.100 -0.078 0.000 0.960 358 R CB -0.450 29.811 30.300 -0.064 0.000 0.856 358 R HN 0.387 nan 8.270 nan 0.000 0.436 359 R N 0.089 120.514 120.500 -0.125 0.000 2.075 359 R HA -0.067 4.268 4.340 -0.008 0.000 0.232 359 R C 1.996 178.201 176.300 -0.157 0.000 1.126 359 R CA 1.478 57.503 56.100 -0.126 0.000 0.963 359 R CB -0.859 29.370 30.300 -0.119 0.000 0.858 359 R HN 0.341 nan 8.270 nan 0.000 0.435 360 L N 1.062 122.166 121.223 -0.198 0.000 2.046 360 L HA -0.113 4.222 4.340 -0.008 0.000 0.208 360 L C 1.638 178.311 176.870 -0.329 0.000 1.077 360 L CA 1.971 56.649 54.840 -0.269 0.000 0.747 360 L CB -0.593 41.268 42.059 -0.330 0.000 0.896 360 L HN 0.306 nan 8.230 nan 0.000 0.432 361 E N -0.440 119.561 120.200 -0.331 0.000 2.051 361 E HA -0.257 4.088 4.350 -0.008 0.000 0.192 361 E C 2.032 178.511 176.600 -0.201 0.000 0.991 361 E CA 1.603 57.809 56.400 -0.323 0.000 0.799 361 E CB -0.183 29.413 29.700 -0.172 0.000 0.748 361 E HN 0.625 nan 8.360 nan 0.000 0.449 362 E N 0.547 120.656 120.200 -0.152 0.000 2.097 362 E HA -0.226 4.120 4.350 -0.008 0.000 0.196 362 E C 2.043 178.561 176.600 -0.137 0.000 1.000 362 E CA 1.078 57.402 56.400 -0.126 0.000 0.804 362 E CB -0.168 29.470 29.700 -0.104 0.000 0.740 362 E HN 0.254 nan 8.360 nan 0.000 0.454 363 A N 0.631 123.370 122.820 -0.134 0.000 2.067 363 A HA -0.092 4.223 4.320 -0.008 0.000 0.219 363 A C 1.976 179.528 177.584 -0.055 0.000 1.158 363 A CA 0.911 52.891 52.037 -0.095 0.000 0.661 363 A CB -0.231 18.716 19.000 -0.088 0.000 0.801 363 A HN 0.148 nan 8.150 nan 0.000 0.452 364 L N -0.943 120.226 121.223 -0.090 0.000 2.585 364 L HA 0.047 4.382 4.340 -0.008 0.000 0.226 364 L C 1.957 178.750 176.870 -0.129 0.000 1.113 364 L CA -0.113 54.731 54.840 0.008 0.000 0.876 364 L CB 0.053 42.094 42.059 -0.030 0.000 1.072 364 L HN 0.144 nan 8.230 nan 0.000 0.468 365 V N 1.273 121.065 119.914 -0.203 0.000 2.324 365 V HA -0.195 3.920 4.120 -0.008 0.000 0.250 365 V C -0.146 175.739 176.094 -0.350 0.000 1.060 365 V CA 2.036 64.206 62.300 -0.216 0.000 1.042 365 V CB -1.351 30.367 31.823 -0.175 0.000 0.650 365 V HN 0.393 nan 8.190 nan 0.000 0.450 366 P HA -0.078 nan 4.420 nan 0.000 0.228 366 P C 0.646 177.343 177.300 -1.005 0.000 1.151 366 P CA 1.208 63.780 63.100 -0.879 0.000 0.770 366 P CB -0.093 30.886 31.700 -1.201 0.000 0.786 367 F N -1.759 118.053 119.950 -0.230 0.000 2.735 367 F HA 0.569 5.092 4.527 -0.008 0.000 0.304 367 F C 1.121 176.894 175.800 -0.045 0.000 1.119 367 F CA -1.032 56.794 58.000 -0.289 0.000 1.280 367 F CB -0.816 38.067 39.000 -0.195 0.000 0.994 367 F HN -0.207 nan 8.300 nan 0.000 0.520 368 A N 0.386 123.209 122.820 0.005 0.000 2.822 368 A HA -0.025 4.290 4.320 -0.008 0.000 0.287 368 A C 0.877 178.482 177.584 0.035 0.000 1.479 368 A CA 0.440 52.489 52.037 0.020 0.000 0.779 368 A CB -2.033 17.002 19.000 0.059 0.000 1.022 368 A HN 0.791 nan 8.150 nan 0.000 0.532 369 A N 0.032 122.884 122.820 0.054 0.000 2.492 369 A HA 0.535 4.850 4.320 -0.008 0.000 0.254 369 A C 0.686 178.290 177.584 0.034 0.000 1.091 369 A CA 0.280 52.373 52.037 0.093 0.000 0.768 369 A CB 0.075 19.162 19.000 0.144 0.000 1.028 369 A HN 0.670 nan 8.150 nan 0.000 0.498 370 R N 3.601 124.091 120.500 -0.016 0.000 2.294 370 R HA 0.418 4.753 4.340 -0.008 0.000 0.319 370 R C -2.642 173.563 176.300 -0.158 0.000 0.984 370 R CA -1.769 54.243 56.100 -0.147 0.000 0.861 370 R CB 1.537 31.693 30.300 -0.241 0.000 1.104 370 R HN 0.538 nan 8.270 nan 0.000 0.451 371 P HA -0.043 nan 4.420 nan 0.000 0.274 371 P C -0.896 176.120 177.300 -0.474 0.000 1.231 371 P CA -0.195 62.627 63.100 -0.464 0.000 0.790 371 P CB 0.678 31.956 31.700 -0.703 0.000 0.951 372 H N 1.932 120.824 119.070 -0.298 0.000 2.929 372 H HA -0.001 4.551 4.556 -0.008 0.000 0.317 372 H C 0.622 176.023 175.328 0.121 0.000 1.031 372 H CA 0.426 56.434 56.048 -0.068 0.000 1.466 372 H CB 0.146 29.963 29.762 0.092 0.000 1.482 372 H HN 0.498 nan 8.280 nan 0.000 0.561 373 W N 2.836 124.345 121.300 0.349 0.000 2.421 373 W HA -0.048 4.607 4.660 -0.007 0.000 0.270 373 W C 2.277 179.168 176.519 0.621 0.000 1.233 373 W CA 0.598 58.254 57.345 0.518 0.000 1.226 373 W CB 0.180 29.819 29.460 0.299 0.000 1.121 373 W HN 0.745 nan 8.180 nan 0.000 0.579 374 G N -0.166 109.177 108.800 0.904 0.000 2.813 374 G HA2 0.043 3.999 3.960 -0.008 0.000 0.209 374 G HA3 0.043 3.999 3.960 -0.008 0.000 0.209 374 G C 0.545 175.745 174.900 0.501 0.000 1.150 374 G CA -0.036 45.405 45.100 0.569 0.000 0.785 374 G HN 0.080 nan 8.290 nan 0.000 0.535 375 K N -0.792 119.927 120.400 0.531 0.000 2.316 375 K HA 0.558 4.874 4.320 -0.008 0.000 0.234 375 K C -0.812 176.047 176.600 0.432 0.000 1.054 375 K CA -0.953 55.572 56.287 0.397 0.000 0.879 375 K CB 2.254 34.844 32.500 0.150 0.000 1.252 375 K HN -0.157 nan 8.250 nan 0.000 0.471 376 V N 2.717 122.819 119.914 0.314 0.000 2.508 376 V HA 0.245 4.361 4.120 -0.008 0.000 0.281 376 V C -0.550 175.747 176.094 0.338 0.000 1.041 376 V CA 0.220 62.666 62.300 0.243 0.000 1.016 376 V CB -0.713 31.247 31.823 0.228 0.000 0.984 376 V HN 0.629 nan 8.190 nan 0.000 0.478 377 F N 1.624 121.706 119.950 0.221 0.000 2.668 377 F HA 0.670 5.193 4.527 -0.007 0.000 0.309 377 F C 0.099 175.998 175.800 0.164 0.000 1.117 377 F CA -0.567 57.565 58.000 0.221 0.000 0.951 377 F CB 1.876 40.998 39.000 0.203 0.000 1.323 377 F HN 0.296 nan 8.300 nan 0.000 0.451 378 T N -1.413 113.356 114.554 0.359 0.000 3.275 378 T HA 0.327 4.673 4.350 -0.008 0.000 0.298 378 T C -0.348 174.489 174.700 0.227 0.000 0.988 378 T CA -0.136 62.079 62.100 0.192 0.000 0.936 378 T CB -0.526 68.393 68.868 0.085 0.000 1.159 378 T HN 0.532 nan 8.240 nan 0.000 0.519 379 V N 3.928 124.057 119.914 0.358 0.000 2.493 379 V HA 0.221 4.336 4.120 -0.008 0.000 0.292 379 V C -1.910 174.296 176.094 0.187 0.000 1.016 379 V CA -1.279 61.150 62.300 0.215 0.000 1.097 379 V CB -0.066 31.851 31.823 0.157 0.000 0.947 379 V HN 0.380 nan 8.190 nan 0.000 0.479 380 P HA 0.072 nan 4.420 nan 0.000 0.265 380 P C 0.708 178.066 177.300 0.096 0.000 1.187 380 P CA 0.260 63.412 63.100 0.087 0.000 0.766 380 P CB 0.657 32.388 31.700 0.052 0.000 0.820 381 A N 3.672 126.546 122.820 0.090 0.000 1.892 381 A HA -0.150 4.166 4.320 -0.008 0.000 0.218 381 A C 2.298 179.934 177.584 0.087 0.000 1.188 381 A CA 2.290 54.383 52.037 0.094 0.000 0.631 381 A CB -1.751 17.291 19.000 0.070 0.000 0.822 381 A HN 0.640 nan 8.150 nan 0.000 0.447 382 G N -0.994 107.845 108.800 0.066 0.000 2.408 382 G HA2 -0.199 3.756 3.960 -0.008 0.000 0.217 382 G HA3 -0.199 3.756 3.960 -0.008 0.000 0.217 382 G C 1.472 176.407 174.900 0.058 0.000 1.150 382 G CA 1.015 46.150 45.100 0.058 0.000 0.776 382 G HN 0.667 nan 8.290 nan 0.000 0.542 383 E N -0.378 119.852 120.200 0.050 0.000 2.077 383 E HA -0.108 4.237 4.350 -0.008 0.000 0.193 383 E C 2.358 178.987 176.600 0.049 0.000 0.989 383 E CA 0.700 57.121 56.400 0.036 0.000 0.800 383 E CB -0.140 29.575 29.700 0.025 0.000 0.746 383 E HN 0.303 nan 8.360 nan 0.000 0.452 384 L N 1.437 122.705 121.223 0.075 0.000 2.027 384 L HA -0.125 4.211 4.340 -0.008 0.000 0.206 384 L C 2.203 179.189 176.870 0.194 0.000 1.074 384 L CA 1.660 56.561 54.840 0.100 0.000 0.745 384 L CB -0.389 41.733 42.059 0.105 0.000 0.898 384 L HN 0.010 nan 8.230 nan 0.000 0.433 385 R N -0.452 120.156 120.500 0.180 0.000 2.127 385 R HA -0.133 4.203 4.340 -0.008 0.000 0.238 385 R C 2.088 178.493 176.300 0.176 0.000 1.134 385 R CA 1.249 57.469 56.100 0.201 0.000 0.975 385 R CB -0.669 29.711 30.300 0.134 0.000 0.865 385 R HN 0.513 nan 8.270 nan 0.000 0.447 386 A N 0.865 123.748 122.820 0.104 0.000 2.121 386 A HA -0.036 4.279 4.320 -0.008 0.000 0.218 386 A C 1.903 179.505 177.584 0.030 0.000 1.154 386 A CA 0.809 52.882 52.037 0.060 0.000 0.679 386 A CB -0.249 18.769 19.000 0.030 0.000 0.795 386 A HN 0.188 nan 8.150 nan 0.000 0.458 387 L N -1.819 119.410 121.223 0.011 0.000 2.599 387 L HA 0.082 4.417 4.340 -0.008 0.000 0.230 387 L C -0.323 176.332 176.870 -0.358 0.000 1.141 387 L CA 0.162 54.900 54.840 -0.171 0.000 0.877 387 L CB -0.143 41.755 42.059 -0.269 0.000 1.009 387 L HN 0.370 nan 8.230 nan 0.000 0.447 388 Y N -0.728 119.595 120.300 0.039 0.000 2.447 388 Y HA 0.284 4.829 4.550 -0.007 0.000 0.325 388 Y C -1.558 174.323 175.900 -0.033 0.000 0.976 388 Y CA -2.035 56.077 58.100 0.021 0.000 1.280 388 Y CB 0.952 39.446 38.460 0.056 0.000 1.104 388 Y HN -0.132 nan 8.280 nan 0.000 0.486 389 P HA -0.131 nan 4.420 nan 0.000 0.216 389 P C 0.587 177.829 177.300 -0.097 0.000 1.150 389 P CA 1.578 64.674 63.100 -0.008 0.000 0.843 389 P CB 0.302 32.046 31.700 0.073 0.000 0.787 390 R N -1.232 119.132 120.500 -0.226 0.000 2.609 390 R HA 0.188 4.524 4.340 -0.008 0.000 0.326 390 R C 1.329 177.529 176.300 -0.167 0.000 1.090 390 R CA -0.356 55.535 56.100 -0.348 0.000 1.072 390 R CB -0.397 29.448 30.300 -0.759 0.000 1.330 390 R HN 0.122 nan 8.270 nan 0.000 0.572 391 L N 1.105 122.325 121.223 -0.004 0.000 2.046 391 L HA -0.106 4.230 4.340 -0.008 0.000 0.208 391 L C 2.173 179.100 176.870 0.095 0.000 1.077 391 L CA 1.945 56.842 54.840 0.096 0.000 0.747 391 L CB -0.434 41.700 42.059 0.126 0.000 0.896 391 L HN 0.224 nan 8.230 nan 0.000 0.432 392 A N -0.931 121.897 122.820 0.013 0.000 1.933 392 A HA -0.211 4.104 4.320 -0.008 0.000 0.218 392 A C 1.988 179.550 177.584 -0.037 0.000 1.175 392 A CA 1.806 53.842 52.037 -0.002 0.000 0.628 392 A CB -0.773 18.211 19.000 -0.026 0.000 0.814 392 A HN 0.521 nan 8.150 nan 0.000 0.444 393 D N -1.050 119.260 120.400 -0.152 0.000 2.117 393 D HA -0.143 4.493 4.640 -0.008 0.000 0.197 393 D C 1.600 177.892 176.300 -0.014 0.000 0.987 393 D CA 1.228 55.069 54.000 -0.265 0.000 0.829 393 D CB -0.460 39.852 40.800 -0.813 0.000 0.961 393 D HN 0.470 nan 8.370 nan 0.000 0.460 394 F N 1.644 121.627 119.950 0.055 0.000 2.095 394 F HA -0.092 4.430 4.527 -0.008 0.000 0.298 394 F C 2.307 178.184 175.800 0.128 0.000 1.104 394 F CA 1.995 60.164 58.000 0.281 0.000 1.232 394 F CB -0.546 38.591 39.000 0.229 0.000 0.987 394 F HN -0.025 nan 8.300 nan 0.000 0.475 395 G N -0.463 108.387 108.800 0.084 0.000 2.442 395 G HA2 -0.238 3.718 3.960 -0.008 0.000 0.219 395 G HA3 -0.238 3.718 3.960 -0.008 0.000 0.219 395 G C 1.782 176.633 174.900 -0.081 0.000 1.141 395 G CA 0.812 45.904 45.100 -0.013 0.000 0.763 395 G HN 0.625 nan 8.290 nan 0.000 0.554 396 A N 0.302 123.091 122.820 -0.052 0.000 1.930 396 A HA 0.138 4.454 4.320 -0.008 0.000 0.217 396 A C 2.321 179.866 177.584 -0.064 0.000 1.175 396 A CA 1.554 53.565 52.037 -0.043 0.000 0.627 396 A CB -0.378 18.608 19.000 -0.022 0.000 0.815 396 A HN 0.433 nan 8.150 nan 0.000 0.443 397 L N -0.107 121.065 121.223 -0.084 0.000 2.017 397 L HA -0.050 4.286 4.340 -0.008 0.000 0.208 397 L C 2.638 179.378 176.870 -0.217 0.000 1.073 397 L CA 2.237 57.011 54.840 -0.111 0.000 0.745 397 L CB -0.795 41.224 42.059 -0.066 0.000 0.894 397 L HN 0.326 nan 8.230 nan 0.000 0.432 398 A N -0.498 122.090 122.820 -0.386 0.000 1.902 398 A HA -0.084 4.231 4.320 -0.008 0.000 0.217 398 A C 2.339 179.851 177.584 -0.121 0.000 1.181 398 A CA 1.560 53.419 52.037 -0.297 0.000 0.623 398 A CB -1.617 17.172 19.000 -0.351 0.000 0.818 398 A HN 0.542 nan 8.150 nan 0.000 0.443 399 G N -0.711 108.033 108.800 -0.093 0.000 2.432 399 G HA2 0.029 3.984 3.960 -0.008 0.000 0.219 399 G HA3 0.029 3.984 3.960 -0.008 0.000 0.219 399 G C 1.666 176.549 174.900 -0.028 0.000 1.135 399 G CA 1.391 46.467 45.100 -0.040 0.000 0.767 399 G HN 0.777 nan 8.290 nan 0.000 0.550 400 A N 0.315 123.113 122.820 -0.037 0.000 1.897 400 A HA 0.254 4.569 4.320 -0.008 0.000 0.215 400 A C 2.342 179.917 177.584 -0.015 0.000 1.181 400 A CA 0.918 52.943 52.037 -0.020 0.000 0.620 400 A CB -0.281 18.710 19.000 -0.016 0.000 0.821 400 A HN 0.325 nan 8.150 nan 0.000 0.443 401 L N -1.225 119.981 121.223 -0.029 0.000 2.341 401 L HA 0.060 4.395 4.340 -0.008 0.000 0.214 401 L C 0.398 177.283 176.870 0.024 0.000 1.115 401 L CA 0.794 55.625 54.840 -0.015 0.000 0.820 401 L CB 0.151 42.181 42.059 -0.048 0.000 0.944 401 L HN 0.332 nan 8.230 nan 0.000 0.452 402 D N -1.138 119.281 120.400 0.030 0.000 2.735 402 D HA 0.146 4.782 4.640 -0.008 0.000 0.291 402 D C -1.848 174.476 176.300 0.041 0.000 1.205 402 D CA -1.545 52.505 54.000 0.083 0.000 0.777 402 D CB 0.812 41.717 40.800 0.175 0.000 1.234 402 D HN -0.174 nan 8.370 nan 0.000 0.520 403 P HA -0.065 nan 4.420 nan 0.000 0.218 403 P C 1.043 178.348 177.300 0.008 0.000 1.148 403 P CA 0.882 63.988 63.100 0.010 0.000 0.822 403 P CB 0.274 31.978 31.700 0.007 0.000 0.784 404 A N -0.973 121.850 122.820 0.005 0.000 2.218 404 A HA 0.439 4.754 4.320 -0.008 0.000 0.209 404 A C 1.538 179.118 177.584 -0.008 0.000 1.168 404 A CA 0.656 52.689 52.037 -0.006 0.000 0.804 404 A CB -1.176 17.812 19.000 -0.020 0.000 0.834 404 A HN 0.235 nan 8.150 nan 0.000 0.482 405 G N 0.336 109.141 108.800 0.009 0.000 2.246 405 G HA2 -0.337 3.619 3.960 -0.008 0.000 0.273 405 G HA3 -0.337 3.619 3.960 -0.008 0.000 0.273 405 G C 0.772 175.653 174.900 -0.033 0.000 1.055 405 G CA 0.890 46.002 45.100 0.019 0.000 0.851 405 G HN 0.636 nan 8.290 nan 0.000 0.500 406 K N -0.897 119.435 120.400 -0.113 0.000 2.113 406 K HA -0.057 4.259 4.320 -0.008 0.000 0.208 406 K C 1.548 177.874 176.600 -0.458 0.000 1.047 406 K CA 1.893 57.978 56.287 -0.336 0.000 0.928 406 K CB -0.190 31.990 32.500 -0.533 0.000 0.716 406 K HN 0.454 nan 8.250 nan 0.000 0.446 407 F N 0.349 120.298 119.950 -0.001 0.000 2.693 407 F HA 0.139 4.661 4.527 -0.008 0.000 0.303 407 F C 0.244 176.054 175.800 0.018 0.000 1.097 407 F CA 0.000 58.001 58.000 0.001 0.000 1.330 407 F CB 0.549 39.545 39.000 -0.005 0.000 1.067 407 F HN -0.254 nan 8.300 nan 0.000 0.565 408 T N 2.844 117.471 114.554 0.121 0.000 2.727 408 T HA 0.195 4.540 4.350 -0.008 0.000 0.298 408 T C 0.259 175.009 174.700 0.083 0.000 0.942 408 T CA -0.639 61.528 62.100 0.110 0.000 0.997 408 T CB 0.193 69.114 68.868 0.089 0.000 0.917 408 T HN 0.169 nan 8.240 nan 0.000 0.487 409 N N 2.430 121.196 118.700 0.110 0.000 2.643 409 N HA 0.498 5.234 4.740 -0.008 0.000 0.305 409 N C 1.454 177.045 175.510 0.134 0.000 1.283 409 N CA -0.672 52.441 53.050 0.105 0.000 0.946 409 N CB 0.065 38.617 38.487 0.108 0.000 1.149 409 N HN 0.338 nan 8.380 nan 0.000 0.600 410 A N -0.326 122.576 122.820 0.136 0.000 1.940 410 A HA -0.108 4.208 4.320 -0.008 0.000 0.219 410 A C 1.984 179.674 177.584 0.176 0.000 1.176 410 A CA 1.108 53.224 52.037 0.132 0.000 0.631 410 A CB -1.202 17.866 19.000 0.113 0.000 0.814 410 A HN 0.618 nan 8.150 nan 0.000 0.446 411 F N 0.555 120.553 119.950 0.080 0.000 2.069 411 F HA -0.192 4.331 4.527 -0.007 0.000 0.298 411 F C 2.271 178.125 175.800 0.090 0.000 1.113 411 F CA 2.250 60.313 58.000 0.105 0.000 1.214 411 F CB -0.175 38.892 39.000 0.112 0.000 0.978 411 F HN 0.039 nan 8.300 nan 0.000 0.474 412 V N 0.780 120.922 119.914 0.381 0.000 2.515 412 V HA -0.264 3.852 4.120 -0.008 0.000 0.250 412 V C 2.457 178.622 176.094 0.118 0.000 1.058 412 V CA 2.078 64.510 62.300 0.220 0.000 1.064 412 V CB -0.807 31.132 31.823 0.193 0.000 0.675 412 V HN 0.320 nan 8.190 nan 0.000 0.461 413 R N 0.517 121.085 120.500 0.113 0.000 2.091 413 R HA -0.150 4.186 4.340 -0.008 0.000 0.238 413 R C 2.306 178.643 176.300 0.062 0.000 1.136 413 R CA 1.790 57.938 56.100 0.081 0.000 0.959 413 R CB -0.700 29.644 30.300 0.073 0.000 0.856 413 R HN 0.532 nan 8.270 nan 0.000 0.437 414 G N -0.446 108.381 108.800 0.046 0.000 2.443 414 G HA2 -0.158 3.797 3.960 -0.008 0.000 0.219 414 G HA3 -0.158 3.797 3.960 -0.008 0.000 0.219 414 G C 1.302 176.230 174.900 0.046 0.000 1.131 414 G CA 0.745 45.866 45.100 0.035 0.000 0.775 414 G HN 0.233 nan 8.290 nan 0.000 0.547 415 V N 0.694 120.627 119.914 0.032 0.000 2.379 415 V HA 0.026 4.142 4.120 -0.008 0.000 0.245 415 V C 2.555 178.689 176.094 0.068 0.000 1.044 415 V CA 0.987 63.309 62.300 0.036 0.000 1.036 415 V CB -0.238 31.526 31.823 -0.098 0.000 0.664 415 V HN 0.321 nan 8.190 nan 0.000 0.453 416 L N -0.032 121.240 121.223 0.083 0.000 2.599 416 L HA 0.277 4.613 4.340 -0.008 0.000 0.230 416 L C 1.300 178.215 176.870 0.075 0.000 1.141 416 L CA -0.020 54.882 54.840 0.102 0.000 0.877 416 L CB -0.495 41.630 42.059 0.110 0.000 1.009 416 L HN 0.316 nan 8.230 nan 0.000 0.447 417 A N 0.000 122.859 122.820 0.066 0.000 2.254 417 A HA 0.000 4.315 4.320 -0.008 0.000 0.244 417 A CA 0.000 52.069 52.037 0.053 0.000 0.836 417 A CB 0.000 19.029 19.000 0.049 0.000 0.831 417 A HN 0.000 nan 8.150 nan 0.000 0.486