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 1r4n_1_B DATA FIRST_RESID 12 DATA SEQUENCE DWEGRWNHVK KFLERSGPFT HPDFEPSTES LQFLLDTCKV LVIGAGGLGC DATA SEQUENCE ELLKNLALSG FRQIHVIDMD TIDVSNLNRQ FLFRPKDIGR PKAEVAAEFL DATA SEQUENCE NDRVPNCNVV PHFNKIQDFN DTFYRQFHII VCGLDSIIAR RWINGMLISL DATA SEQUENCE LNYEDGVLDP SSIVPLIDGG TEGFKGNARV ILPGMTACIE CTLELYPPQV DATA SEQUENCE NFPMATIASM PRLPEHCIEY VRMLQWPKEQ PFGEGVPLDG DDPEHIQWIF DATA SEQUENCE QKSLERASQY NIRGVTYRLT QGVVKRIIPA VASTNAVIAA VCATEVFKIA DATA SEQUENCE TSAYIPLNNY LVFNDVDGLY TYTFEAERKE NCPACSQLPQ NIQFSPSAKL DATA SEQUENCE QEVLDYLTNS ASLQMKSPAI TATXXXXNRT LYLQSXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXVT SIEERTRXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXKE LGLVDXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXGQ EXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXAV ADVTTPQTVL DATA SEQUENCE FKLHFT 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 12 D HA 0.000 nan 4.640 nan 0.000 0.175 12 D C 0.000 176.420 176.300 0.201 0.000 2.045 12 D CA 0.000 54.082 54.000 0.136 0.000 0.868 12 D CB 0.000 40.916 40.800 0.192 0.000 0.688 13 W N 0.521 121.878 121.300 0.096 0.000 3.047 13 W HA 0.744 5.404 4.660 -0.000 0.000 0.341 13 W C -0.866 175.682 176.519 0.048 0.000 1.225 13 W CA -0.809 56.566 57.345 0.051 0.000 1.150 13 W CB 0.232 29.701 29.460 0.015 0.000 1.470 13 W HN -0.354 nan 8.180 nan 0.000 0.578 14 E N 1.089 121.564 120.200 0.459 0.000 2.415 14 E HA 0.320 4.670 4.350 -0.000 0.000 0.260 14 E C 1.100 177.891 176.600 0.319 0.000 1.016 14 E CA 1.907 58.486 56.400 0.298 0.000 0.924 14 E CB 0.537 30.363 29.700 0.211 0.000 0.961 14 E HN 1.036 nan 8.360 nan 0.000 0.459 15 G N 4.498 113.388 108.800 0.149 0.000 2.205 15 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.261 15 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.261 15 G C 1.251 176.169 174.900 0.031 0.000 0.980 15 G CA 0.694 45.870 45.100 0.127 0.000 0.632 15 G HN 0.579 nan 8.290 nan 0.000 0.533 16 R N -0.297 120.042 120.500 -0.267 0.000 2.122 16 R HA -0.134 4.206 4.340 -0.000 0.000 0.236 16 R C 1.757 177.704 176.300 -0.588 0.000 1.129 16 R CA 2.337 57.985 56.100 -0.753 0.000 0.925 16 R CB -0.358 28.810 30.300 -1.888 0.000 0.850 16 R HN 0.549 nan 8.270 nan 0.000 0.431 17 W N 0.968 122.169 121.300 -0.165 0.000 3.433 17 W HA 0.187 4.847 4.660 -0.000 0.000 0.376 17 W C 1.031 177.596 176.519 0.076 0.000 1.160 17 W CA -0.612 56.710 57.345 -0.039 0.000 1.832 17 W CB -0.115 29.313 29.460 -0.054 0.000 1.011 17 W HN 0.287 nan 8.180 nan 0.000 0.766 18 N N 0.007 118.854 118.700 0.245 0.000 2.149 18 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 18 N C 0.904 176.550 175.510 0.227 0.000 1.019 18 N CA 1.235 54.415 53.050 0.217 0.000 0.857 18 N CB -0.391 38.189 38.487 0.156 0.000 0.997 18 N HN 0.224 nan 8.380 nan 0.000 0.426 19 H N -1.246 117.914 119.070 0.150 0.000 2.574 19 H HA 0.166 4.722 4.556 -0.000 0.000 0.277 19 H C 0.826 176.309 175.328 0.259 0.000 1.058 19 H CA 0.236 56.396 56.048 0.186 0.000 1.171 19 H CB 0.229 30.046 29.762 0.091 0.000 1.304 19 H HN 0.043 nan 8.280 nan 0.000 0.620 20 V N -1.548 118.606 119.914 0.400 0.000 3.193 20 V HA -0.033 4.086 4.120 -0.000 0.000 0.237 20 V C 1.906 178.273 176.094 0.456 0.000 1.447 20 V CA -0.024 62.511 62.300 0.393 0.000 1.227 20 V CB 0.399 32.430 31.823 0.345 0.000 1.040 20 V HN 0.132 nan 8.190 nan 0.000 0.458 21 K N 1.285 121.886 120.400 0.335 0.000 2.044 21 K HA -0.222 4.098 4.320 -0.000 0.000 0.210 21 K C 1.972 178.709 176.600 0.229 0.000 1.049 21 K CA 1.799 58.234 56.287 0.247 0.000 0.927 21 K CB -0.248 32.358 32.500 0.177 0.000 0.713 21 K HN 0.361 nan 8.250 nan 0.000 0.443 22 K N -0.203 120.301 120.400 0.172 0.000 2.362 22 K HA -0.153 4.167 4.320 -0.000 0.000 0.202 22 K C 1.534 178.059 176.600 -0.125 0.000 1.045 22 K CA 1.310 57.582 56.287 -0.024 0.000 0.936 22 K CB -0.105 32.287 32.500 -0.179 0.000 0.747 22 K HN 0.118 nan 8.250 nan 0.000 0.467 23 F N -0.792 119.266 119.950 0.179 0.000 2.717 23 F HA 0.157 4.684 4.527 -0.000 0.000 0.295 23 F C 1.496 177.446 175.800 0.250 0.000 1.117 23 F CA 0.184 58.309 58.000 0.208 0.000 1.361 23 F CB 0.244 39.455 39.000 0.351 0.000 1.112 23 F HN -0.135 nan 8.300 nan 0.000 0.594 24 L N -1.013 120.487 121.223 0.460 0.000 2.467 24 L HA 0.138 4.478 4.340 -0.000 0.000 0.213 24 L C 1.887 178.941 176.870 0.307 0.000 1.053 24 L CA 0.539 55.630 54.840 0.419 0.000 0.847 24 L CB -0.263 41.966 42.059 0.283 0.000 1.075 24 L HN 0.005 nan 8.230 nan 0.000 0.479 25 E N 0.812 121.138 120.200 0.210 0.000 2.170 25 E HA 0.019 4.369 4.350 -0.000 0.000 0.191 25 E C 0.349 177.026 176.600 0.129 0.000 0.981 25 E CA 0.342 56.816 56.400 0.124 0.000 0.830 25 E CB 0.349 30.101 29.700 0.086 0.000 0.775 25 E HN 0.391 nan 8.360 nan 0.000 0.470 26 R N 1.351 121.935 120.500 0.140 0.000 2.428 26 R HA 0.247 4.587 4.340 -0.000 0.000 0.294 26 R C 0.160 176.550 176.300 0.149 0.000 1.000 26 R CA -0.363 55.793 56.100 0.093 0.000 0.960 26 R CB 1.580 31.878 30.300 -0.003 0.000 1.076 26 R HN -0.008 nan 8.270 nan 0.000 0.475 27 S N 0.359 116.142 115.700 0.138 0.000 2.634 27 S HA 0.723 5.193 4.470 -0.000 0.000 0.261 27 S C 0.409 174.990 174.600 -0.031 0.000 1.271 27 S CA -0.413 57.875 58.200 0.146 0.000 0.985 27 S CB 1.547 64.825 63.200 0.131 0.000 0.968 27 S HN 0.766 nan 8.310 nan 0.000 0.568 28 G N -0.838 107.908 108.800 -0.089 0.000 2.608 28 G HA2 0.559 4.519 3.960 -0.000 0.000 0.291 28 G HA3 0.559 4.519 3.960 -0.000 0.000 0.291 28 G C -2.865 172.013 174.900 -0.037 0.000 1.425 28 G CA -1.058 43.995 45.100 -0.078 0.000 0.787 28 G HN 0.480 nan 8.290 nan 0.000 0.484 29 P HA 0.131 nan 4.420 nan 0.000 0.214 29 P C 1.046 178.269 177.300 -0.129 0.000 1.162 29 P CA 0.791 63.860 63.100 -0.052 0.000 0.871 29 P CB 0.096 31.771 31.700 -0.041 0.000 0.783 30 F N -1.567 118.388 119.950 0.008 0.000 2.773 30 F HA 0.165 4.692 4.527 -0.000 0.000 0.304 30 F C 1.233 177.011 175.800 -0.037 0.000 1.129 30 F CA -0.045 57.992 58.000 0.062 0.000 1.378 30 F CB -1.480 37.650 39.000 0.218 0.000 1.095 30 F HN -0.203 nan 8.300 nan 0.000 0.565 31 T N 0.280 114.795 114.554 -0.065 0.000 2.933 31 T HA -0.139 4.211 4.350 -0.000 0.000 0.306 31 T C 0.027 174.682 174.700 -0.074 0.000 1.045 31 T CA 0.027 61.943 62.100 -0.307 0.000 1.143 31 T CB -0.121 68.479 68.868 -0.447 0.000 1.003 31 T HN 0.347 nan 8.240 nan 0.000 0.540 32 H N 5.653 124.658 119.070 -0.109 0.000 2.897 32 H HA 0.193 4.749 4.556 -0.000 0.000 0.347 32 H C -1.646 173.716 175.328 0.057 0.000 1.068 32 H CA -1.048 55.009 56.048 0.016 0.000 1.426 32 H CB 0.648 30.438 29.762 0.046 0.000 1.410 32 H HN 0.415 nan 8.280 nan 0.000 0.597 33 P HA -0.229 nan 4.420 nan 0.000 0.214 33 P C 0.583 177.734 177.300 -0.249 0.000 1.172 33 P CA 1.987 64.837 63.100 -0.417 0.000 0.925 33 P CB 0.153 31.581 31.700 -0.454 0.000 0.793 34 D N -1.419 118.795 120.400 -0.310 0.000 2.389 34 D HA -0.089 4.551 4.640 -0.000 0.000 0.250 34 D C 0.227 176.581 176.300 0.090 0.000 1.136 34 D CA 0.406 54.401 54.000 -0.008 0.000 0.945 34 D CB -0.784 40.092 40.800 0.127 0.000 0.890 34 D HN 0.192 nan 8.370 nan 0.000 0.525 35 F N 1.896 121.821 119.950 -0.041 0.000 2.438 35 F HA 0.137 4.664 4.527 -0.000 0.000 0.356 35 F C 0.368 176.133 175.800 -0.059 0.000 1.099 35 F CA -0.326 57.655 58.000 -0.031 0.000 1.185 35 F CB 0.780 39.760 39.000 -0.033 0.000 1.115 35 F HN -0.310 nan 8.300 nan 0.000 0.526 36 E N 8.015 127.667 120.200 -0.913 0.000 2.182 36 E HA 0.229 4.579 4.350 -0.000 0.000 0.258 36 E C -2.530 173.439 176.600 -1.052 0.000 0.879 36 E CA -2.159 53.813 56.400 -0.713 0.000 0.754 36 E CB 1.416 30.869 29.700 -0.410 0.000 1.162 36 E HN 0.360 nan 8.360 nan 0.000 0.419 37 P HA 0.040 nan 4.420 nan 0.000 0.268 37 P C -0.335 176.845 177.300 -0.200 0.000 1.282 37 P CA 0.140 63.048 63.100 -0.319 0.000 0.880 37 P CB 0.571 32.319 31.700 0.080 0.000 0.971 38 S N 1.832 117.412 115.700 -0.200 0.000 2.599 38 S HA 0.371 4.841 4.470 -0.000 0.000 0.287 38 S C 1.063 175.627 174.600 -0.061 0.000 1.105 38 S CA -0.367 57.755 58.200 -0.130 0.000 0.899 38 S CB 1.724 64.816 63.200 -0.180 0.000 1.100 38 S HN 0.342 nan 8.310 nan 0.000 0.482 39 T N 0.919 115.448 114.554 -0.041 0.000 3.067 39 T HA 0.121 4.471 4.350 -0.000 0.000 0.261 39 T C 1.271 175.961 174.700 -0.017 0.000 1.110 39 T CA 1.381 63.474 62.100 -0.011 0.000 1.113 39 T CB -0.278 68.587 68.868 -0.004 0.000 0.917 39 T HN 0.699 nan 8.240 nan 0.000 0.499 40 E N -0.113 120.061 120.200 -0.043 0.000 2.190 40 E HA -0.019 4.331 4.350 -0.000 0.000 0.191 40 E C 2.213 178.793 176.600 -0.034 0.000 0.978 40 E CA 0.533 56.913 56.400 -0.034 0.000 0.839 40 E CB -0.008 29.660 29.700 -0.053 0.000 0.787 40 E HN 0.414 nan 8.360 nan 0.000 0.473 41 S N 1.250 116.900 115.700 -0.084 0.000 2.426 41 S HA -0.281 4.189 4.470 -0.000 0.000 0.253 41 S C 1.765 176.349 174.600 -0.026 0.000 1.104 41 S CA 1.720 59.865 58.200 -0.092 0.000 1.158 41 S CB -0.553 62.587 63.200 -0.099 0.000 1.043 41 S HN 0.316 nan 8.310 nan 0.000 0.443 42 L N 1.673 122.877 121.223 -0.031 0.000 1.948 42 L HA -0.129 4.211 4.340 -0.000 0.000 0.212 42 L C 2.401 179.187 176.870 -0.141 0.000 1.074 42 L CA 2.306 57.090 54.840 -0.093 0.000 0.753 42 L CB -1.341 40.662 42.059 -0.092 0.000 0.888 42 L HN 0.207 nan 8.230 nan 0.000 0.432 43 Q N -0.939 118.801 119.800 -0.100 0.000 2.156 43 Q HA -0.306 4.034 4.340 -0.000 0.000 0.211 43 Q C 2.091 178.052 176.000 -0.065 0.000 0.995 43 Q CA 2.505 58.249 55.803 -0.098 0.000 0.877 43 Q CB -0.811 27.906 28.738 -0.035 0.000 0.920 43 Q HN 0.547 nan 8.270 nan 0.000 0.416 44 F N -0.291 119.571 119.950 -0.146 0.000 2.025 44 F HA -0.288 4.239 4.527 -0.000 0.000 0.297 44 F C 1.916 177.618 175.800 -0.164 0.000 1.132 44 F CA 1.819 59.739 58.000 -0.133 0.000 1.191 44 F CB -0.888 38.033 39.000 -0.131 0.000 0.963 44 F HN 0.294 nan 8.300 nan 0.000 0.481 45 L N 0.540 121.756 121.223 -0.011 0.000 2.010 45 L HA -0.286 4.054 4.340 -0.000 0.000 0.219 45 L C 2.222 178.912 176.870 -0.300 0.000 1.077 45 L CA 2.049 56.758 54.840 -0.218 0.000 0.773 45 L CB -1.082 40.772 42.059 -0.341 0.000 0.892 45 L HN 0.297 nan 8.230 nan 0.000 0.436 46 L N -0.847 120.192 121.223 -0.307 0.000 2.187 46 L HA -0.209 4.131 4.340 -0.000 0.000 0.213 46 L C 2.011 178.774 176.870 -0.178 0.000 1.100 46 L CA 1.383 56.057 54.840 -0.277 0.000 0.765 46 L CB -0.648 41.207 42.059 -0.339 0.000 0.904 46 L HN 0.415 nan 8.230 nan 0.000 0.437 47 D N -1.728 118.549 120.400 -0.205 0.000 2.490 47 D HA -0.053 4.587 4.640 -0.000 0.000 0.244 47 D C 2.222 178.393 176.300 -0.215 0.000 0.979 47 D CA 1.780 55.669 54.000 -0.185 0.000 0.924 47 D CB -0.008 40.678 40.800 -0.191 0.000 1.075 47 D HN 0.315 nan 8.370 nan 0.000 0.488 48 T N -1.679 112.652 114.554 -0.373 0.000 3.031 48 T HA 0.014 4.364 4.350 -0.000 0.000 0.254 48 T C 1.423 176.088 174.700 -0.059 0.000 1.060 48 T CA -0.122 61.778 62.100 -0.335 0.000 1.135 48 T CB -0.620 67.797 68.868 -0.751 0.000 0.896 48 T HN -0.006 nan 8.240 nan 0.000 0.472 49 C N 3.672 122.958 119.300 -0.023 0.000 2.667 49 C HA 0.330 4.790 4.460 -0.000 0.000 0.385 49 C C 0.528 175.676 174.990 0.263 0.000 1.299 49 C CA -0.758 58.414 59.018 0.257 0.000 1.554 49 C CB -1.750 26.067 27.740 0.127 0.000 2.275 49 C HN 0.416 nan 8.230 nan 0.000 0.588 50 K N 4.198 124.675 120.400 0.128 0.000 2.248 50 K HA 0.536 4.856 4.320 -0.000 0.000 0.281 50 K C -0.809 175.913 176.600 0.203 0.000 1.054 50 K CA -0.226 56.090 56.287 0.048 0.000 0.903 50 K CB 1.148 33.489 32.500 -0.264 0.000 1.077 50 K HN 0.481 nan 8.250 nan 0.000 0.474 51 V N 5.186 125.261 119.914 0.268 0.000 2.483 51 V HA 0.247 4.367 4.120 -0.000 0.000 0.297 51 V C -0.781 175.240 176.094 -0.121 0.000 1.027 51 V CA -1.047 61.313 62.300 0.101 0.000 0.855 51 V CB 1.582 33.425 31.823 0.033 0.000 0.995 51 V HN 0.571 nan 8.190 nan 0.000 0.424 52 L N 6.459 127.341 121.223 -0.567 0.000 2.312 52 L HA 0.697 5.037 4.340 -0.000 0.000 0.281 52 L C -0.429 176.212 176.870 -0.381 0.000 1.070 52 L CA 0.206 54.537 54.840 -0.848 0.000 0.805 52 L CB 1.689 42.713 42.059 -1.725 0.000 1.174 52 L HN 0.433 nan 8.230 nan 0.000 0.434 53 V N 7.088 126.866 119.914 -0.227 0.000 2.325 53 V HA 0.360 4.480 4.120 -0.000 0.000 0.280 53 V C 0.232 176.272 176.094 -0.090 0.000 1.016 53 V CA -0.460 61.756 62.300 -0.140 0.000 0.818 53 V CB 1.001 32.762 31.823 -0.103 0.000 1.019 53 V HN 0.619 nan 8.190 nan 0.000 0.434 54 I N 4.956 125.481 120.570 -0.076 0.000 2.452 54 I HA 0.554 4.724 4.170 -0.000 0.000 0.287 54 I C 0.989 177.091 176.117 -0.024 0.000 1.079 54 I CA 0.614 61.902 61.300 -0.020 0.000 1.387 54 I CB 0.627 38.636 38.000 0.014 0.000 1.404 54 I HN 0.836 nan 8.210 nan 0.000 0.522 55 G N 4.776 113.569 108.800 -0.012 0.000 2.712 55 G HA2 0.181 4.141 3.960 -0.000 0.000 0.686 55 G HA3 0.181 4.141 3.960 -0.000 0.000 0.686 55 G C -0.719 174.156 174.900 -0.042 0.000 1.181 55 G CA -0.383 44.701 45.100 -0.027 0.000 0.762 55 G HN 1.087 nan 8.290 nan 0.000 0.641 56 A N 0.756 123.554 122.820 -0.036 0.000 3.300 56 A HA 0.955 5.275 4.320 -0.000 0.000 0.300 56 A C 0.378 177.941 177.584 -0.035 0.000 1.099 56 A CA 0.684 52.694 52.037 -0.044 0.000 0.846 56 A CB 0.573 19.582 19.000 0.015 0.000 1.255 56 A HN 2.618 nan 8.150 nan 0.000 0.519 57 G N -0.564 108.166 108.800 -0.116 0.000 2.717 57 G HA2 0.631 4.591 3.960 -0.000 0.000 0.300 57 G HA3 0.631 4.591 3.960 -0.000 0.000 0.300 57 G C 0.549 175.352 174.900 -0.163 0.000 1.424 57 G CA 0.767 45.786 45.100 -0.134 0.000 1.033 57 G HN 1.987 nan 8.290 nan 0.000 0.577 58 G N 0.987 109.663 108.800 -0.208 0.000 2.815 58 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.326 58 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.326 58 G C 1.606 176.416 174.900 -0.150 0.000 1.191 58 G CA 1.104 46.113 45.100 -0.151 0.000 0.965 58 G HN 1.355 nan 8.290 nan 0.000 0.564 59 L N 1.545 122.697 121.223 -0.119 0.000 1.971 59 L HA -0.034 4.306 4.340 -0.000 0.000 0.215 59 L C 3.414 180.204 176.870 -0.132 0.000 1.072 59 L CA 2.386 57.158 54.840 -0.112 0.000 0.758 59 L CB -1.216 40.785 42.059 -0.097 0.000 0.889 59 L HN 0.747 nan 8.230 nan 0.000 0.433 60 G N -0.421 108.295 108.800 -0.141 0.000 2.631 60 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.219 60 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.219 60 G C 1.609 176.381 174.900 -0.214 0.000 1.214 60 G CA 1.337 46.346 45.100 -0.152 0.000 0.785 60 G HN 0.479 nan 8.290 nan 0.000 0.596 61 C N -0.003 119.084 119.300 -0.355 0.000 2.359 61 C HA -0.087 4.373 4.460 -0.000 0.000 0.277 61 C C 2.708 177.511 174.990 -0.312 0.000 1.192 61 C CA 1.330 59.993 59.018 -0.592 0.000 1.759 61 C CB -1.199 25.872 27.740 -1.114 0.000 2.038 61 C HN 0.640 nan 8.230 nan 0.000 0.448 62 E N 0.482 120.621 120.200 -0.101 0.000 2.070 62 E HA -0.190 4.160 4.350 -0.000 0.000 0.197 62 E C 2.020 178.621 176.600 0.002 0.000 1.004 62 E CA 1.188 57.660 56.400 0.119 0.000 0.805 62 E CB -0.445 29.288 29.700 0.056 0.000 0.744 62 E HN 0.580 nan 8.360 nan 0.000 0.451 63 L N -0.241 120.938 121.223 -0.072 0.000 1.989 63 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 63 L C 2.473 179.292 176.870 -0.084 0.000 1.071 63 L CA 1.217 56.001 54.840 -0.092 0.000 0.749 63 L CB -0.435 41.555 42.059 -0.114 0.000 0.890 63 L HN 0.261 nan 8.230 nan 0.000 0.431 64 L N -0.263 120.907 121.223 -0.089 0.000 2.013 64 L HA -0.307 4.033 4.340 -0.000 0.000 0.212 64 L C 2.722 179.582 176.870 -0.017 0.000 1.073 64 L CA 1.610 56.410 54.840 -0.067 0.000 0.753 64 L CB -0.549 41.452 42.059 -0.097 0.000 0.890 64 L HN 0.313 nan 8.230 nan 0.000 0.432 65 K N 0.234 120.643 120.400 0.016 0.000 1.978 65 K HA -0.225 4.095 4.320 -0.000 0.000 0.214 65 K C 1.972 178.589 176.600 0.028 0.000 1.049 65 K CA 1.947 58.269 56.287 0.057 0.000 0.939 65 K CB -0.096 32.486 32.500 0.135 0.000 0.721 65 K HN 0.259 nan 8.250 nan 0.000 0.441 66 N N 1.181 119.879 118.700 -0.003 0.000 2.037 66 N HA -0.225 4.515 4.740 -0.000 0.000 0.196 66 N C 2.017 177.529 175.510 0.003 0.000 1.034 66 N CA 1.629 54.664 53.050 -0.024 0.000 0.861 66 N CB -0.594 37.857 38.487 -0.060 0.000 1.039 66 N HN 0.230 nan 8.380 nan 0.000 0.427 67 L N 0.844 122.042 121.223 -0.042 0.000 2.012 67 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 67 L C 2.505 179.478 176.870 0.171 0.000 1.073 67 L CA 1.378 56.175 54.840 -0.071 0.000 0.748 67 L CB -0.574 41.344 42.059 -0.235 0.000 0.891 67 L HN 0.152 nan 8.230 nan 0.000 0.431 68 A N 0.014 122.924 122.820 0.151 0.000 1.908 68 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 68 A C 2.090 179.876 177.584 0.336 0.000 1.181 68 A CA 1.637 53.815 52.037 0.234 0.000 0.627 68 A CB -0.708 18.388 19.000 0.162 0.000 0.818 68 A HN 0.444 nan 8.150 nan 0.000 0.445 69 L N -0.529 120.836 121.223 0.238 0.000 2.591 69 L HA 0.071 4.411 4.340 -0.000 0.000 0.228 69 L C 1.877 178.948 176.870 0.335 0.000 1.133 69 L CA 0.390 55.364 54.840 0.223 0.000 0.880 69 L CB 0.053 42.137 42.059 0.041 0.000 1.033 69 L HN 0.232 nan 8.230 nan 0.000 0.450 70 S N -0.056 115.855 115.700 0.352 0.000 2.503 70 S HA 0.199 4.669 4.470 -0.000 0.000 0.217 70 S C 1.360 176.185 174.600 0.375 0.000 0.999 70 S CA 0.796 59.165 58.200 0.282 0.000 0.914 70 S CB 0.560 63.943 63.200 0.304 0.000 0.782 70 S HN 0.610 nan 8.310 nan 0.000 0.520 71 G N 0.864 109.881 108.800 0.362 0.000 2.157 71 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.118 71 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.118 71 G C -0.374 174.343 174.900 -0.305 0.000 1.032 71 G CA -0.831 44.091 45.100 -0.296 0.000 0.697 71 G HN 0.292 nan 8.290 nan 0.000 0.495 72 F N 0.232 120.183 119.950 0.001 0.000 2.469 72 F HA 0.718 5.245 4.527 -0.000 0.000 0.332 72 F C 1.399 177.219 175.800 0.033 0.000 1.103 72 F CA -1.033 56.979 58.000 0.020 0.000 0.979 72 F CB 1.648 40.692 39.000 0.074 0.000 1.137 72 F HN -0.093 nan 8.300 nan 0.000 0.463 73 R N 0.069 120.663 120.500 0.156 0.000 2.194 73 R HA 0.132 4.472 4.340 -0.000 0.000 0.194 73 R C -0.168 176.216 176.300 0.141 0.000 0.985 73 R CA 0.154 56.329 56.100 0.124 0.000 1.104 73 R CB 0.196 30.523 30.300 0.045 0.000 1.092 73 R HN 0.468 nan 8.270 nan 0.000 0.555 74 Q N 1.885 121.775 119.800 0.150 0.000 2.452 74 Q HA 0.329 4.668 4.340 -0.000 0.000 0.230 74 Q C -0.384 175.776 176.000 0.266 0.000 1.180 74 Q CA 0.491 56.402 55.803 0.180 0.000 0.914 74 Q CB 0.289 29.111 28.738 0.141 0.000 1.408 74 Q HN 0.287 nan 8.270 nan 0.000 0.520 75 I N 1.852 122.566 120.570 0.241 0.000 2.498 75 I HA 0.343 4.513 4.170 -0.000 0.000 0.290 75 I C -0.011 176.247 176.117 0.235 0.000 1.032 75 I CA -0.700 60.739 61.300 0.231 0.000 1.073 75 I CB 1.862 39.932 38.000 0.118 0.000 1.251 75 I HN 0.380 nan 8.210 nan 0.000 0.426 76 H N 4.650 123.775 119.070 0.090 0.000 2.524 76 H HA 0.611 5.167 4.556 -0.000 0.000 0.353 76 H C -1.113 174.245 175.328 0.050 0.000 1.136 76 H CA -0.885 55.250 56.048 0.145 0.000 1.193 76 H CB 2.971 32.937 29.762 0.340 0.000 1.558 76 H HN 0.210 nan 8.280 nan 0.000 0.515 77 V N 5.174 125.198 119.914 0.183 0.000 2.487 77 V HA 0.317 4.437 4.120 -0.000 0.000 0.298 77 V C 0.139 176.344 176.094 0.186 0.000 1.028 77 V CA -0.581 61.782 62.300 0.105 0.000 0.860 77 V CB 1.812 33.656 31.823 0.034 0.000 0.991 77 V HN 0.572 nan 8.190 nan 0.000 0.427 78 I N 3.778 124.430 120.570 0.137 0.000 2.460 78 I HA 0.635 4.805 4.170 -0.000 0.000 0.298 78 I C -0.766 175.410 176.117 0.097 0.000 0.989 78 I CA -0.190 61.215 61.300 0.175 0.000 1.173 78 I CB 1.905 39.991 38.000 0.144 0.000 1.338 78 I HN 0.625 nan 8.210 nan 0.000 0.456 79 D N 5.636 126.091 120.400 0.092 0.000 2.414 79 D HA 0.114 4.754 4.640 -0.000 0.000 0.187 79 D C 0.072 176.336 176.300 -0.061 0.000 1.255 79 D CA -0.395 53.607 54.000 0.003 0.000 0.825 79 D CB 1.212 41.990 40.800 -0.036 0.000 1.912 79 D HN 0.576 nan 8.370 nan 0.000 0.530 80 M N 0.140 119.716 119.600 -0.039 0.000 2.492 80 M HA 0.208 4.687 4.480 -0.000 0.000 0.262 80 M C 0.386 176.590 176.300 -0.159 0.000 1.090 80 M CA 0.736 56.015 55.300 -0.035 0.000 1.110 80 M CB 0.139 32.743 32.600 0.007 0.000 1.407 80 M HN -0.030 nan 8.290 nan 0.000 0.470 81 D N 1.277 121.559 120.400 -0.196 0.000 2.388 81 D HA 0.278 4.918 4.640 -0.000 0.000 0.254 81 D C -0.556 175.533 176.300 -0.352 0.000 1.111 81 D CA 0.066 53.938 54.000 -0.213 0.000 0.993 81 D CB 1.689 42.414 40.800 -0.126 0.000 1.118 81 D HN -0.004 nan 8.370 nan 0.000 0.502 82 T N 0.594 114.988 114.554 -0.265 0.000 2.797 82 T HA 0.435 4.785 4.350 -0.000 0.000 0.279 82 T C 0.381 174.939 174.700 -0.237 0.000 0.991 82 T CA -0.702 61.228 62.100 -0.283 0.000 0.979 82 T CB 0.266 69.032 68.868 -0.169 0.000 0.943 82 T HN 0.196 nan 8.240 nan 0.000 0.444 83 I N 4.693 125.061 120.570 -0.337 0.000 2.906 83 I HA 0.042 4.212 4.170 -0.000 0.000 0.302 83 I C 0.628 176.658 176.117 -0.146 0.000 1.220 83 I CA 0.606 61.719 61.300 -0.312 0.000 1.441 83 I CB 0.218 37.911 38.000 -0.511 0.000 1.336 83 I HN 0.599 nan 8.210 nan 0.000 0.565 84 D N 5.455 125.816 120.400 -0.065 0.000 2.780 84 D HA 0.105 4.744 4.640 -0.000 0.000 0.242 84 D C 0.599 176.900 176.300 0.003 0.000 1.135 84 D CA -0.621 53.358 54.000 -0.035 0.000 0.859 84 D CB 2.383 43.163 40.800 -0.033 0.000 1.530 84 D HN 0.322 nan 8.370 nan 0.000 0.493 85 V N 3.997 123.912 119.914 0.002 0.000 2.277 85 V HA -0.302 3.818 4.120 -0.000 0.000 0.255 85 V C 1.906 178.016 176.094 0.027 0.000 1.074 85 V CA 3.457 65.768 62.300 0.019 0.000 1.058 85 V CB -0.618 31.212 31.823 0.012 0.000 0.656 85 V HN 0.713 nan 8.190 nan 0.000 0.449 86 S N -0.465 115.244 115.700 0.015 0.000 2.805 86 S HA -0.027 4.443 4.470 -0.000 0.000 0.230 86 S C 1.150 175.759 174.600 0.015 0.000 0.968 86 S CA 1.006 59.212 58.200 0.011 0.000 0.976 86 S CB -0.723 62.475 63.200 -0.002 0.000 0.787 86 S HN 0.799 nan 8.310 nan 0.000 0.533 87 N N 0.978 119.701 118.700 0.039 0.000 2.332 87 N HA 0.262 5.002 4.740 -0.000 0.000 0.190 87 N C 1.146 176.681 175.510 0.042 0.000 1.117 87 N CA 0.219 53.298 53.050 0.049 0.000 0.883 87 N CB -0.305 38.262 38.487 0.133 0.000 1.089 87 N HN 0.380 nan 8.380 nan 0.000 0.480 88 L N 2.064 123.326 121.223 0.066 0.000 2.651 88 L HA -0.054 4.286 4.340 -0.000 0.000 0.236 88 L C 1.381 178.274 176.870 0.038 0.000 1.173 88 L CA 0.669 55.548 54.840 0.064 0.000 0.843 88 L CB -0.538 41.566 42.059 0.075 0.000 0.964 88 L HN 0.276 nan 8.230 nan 0.000 0.454 89 N N 0.754 119.465 118.700 0.019 0.000 2.230 89 N HA -0.030 4.710 4.740 -0.000 0.000 0.202 89 N C 1.205 176.716 175.510 0.003 0.000 1.119 89 N CA 0.126 53.183 53.050 0.013 0.000 0.851 89 N CB 0.452 38.942 38.487 0.005 0.000 0.990 89 N HN 0.552 nan 8.380 nan 0.000 0.497 90 R N -1.507 118.988 120.500 -0.009 0.000 2.390 90 R HA 0.103 4.443 4.340 -0.000 0.000 0.201 90 R C -0.401 175.870 176.300 -0.048 0.000 0.908 90 R CA -0.270 55.823 56.100 -0.012 0.000 1.480 90 R CB -0.391 29.886 30.300 -0.039 0.000 1.681 90 R HN -0.035 nan 8.270 nan 0.000 0.464 91 Q N 2.115 121.820 119.800 -0.158 0.000 3.008 91 Q HA 0.189 4.529 4.340 -0.000 0.000 0.307 91 Q C -0.018 175.643 176.000 -0.565 0.000 1.273 91 Q CA -0.521 54.998 55.803 -0.472 0.000 1.091 91 Q CB 0.301 28.724 28.738 -0.526 0.000 1.393 91 Q HN 0.377 nan 8.270 nan 0.000 0.521 92 F N -1.316 118.449 119.950 -0.308 0.000 2.271 92 F HA -0.223 4.304 4.527 -0.000 0.000 0.302 92 F C 0.964 176.615 175.800 -0.250 0.000 1.063 92 F CA 0.983 58.852 58.000 -0.218 0.000 1.362 92 F CB -0.394 38.501 39.000 -0.175 0.000 1.060 92 F HN 0.266 nan 8.300 nan 0.000 0.521 93 L N -0.640 119.995 121.223 -0.980 0.000 2.622 93 L HA 0.089 4.429 4.340 -0.000 0.000 0.233 93 L C -0.003 176.918 176.870 0.085 0.000 1.156 93 L CA 0.166 54.590 54.840 -0.692 0.000 0.866 93 L CB -0.681 40.808 42.059 -0.950 0.000 0.980 93 L HN 0.119 nan 8.230 nan 0.000 0.448 94 F N -0.472 119.463 119.950 -0.024 0.000 2.508 94 F HA 0.549 5.076 4.527 -0.000 0.000 0.325 94 F C 0.531 176.373 175.800 0.070 0.000 1.090 94 F CA -1.386 56.631 58.000 0.029 0.000 0.945 94 F CB 1.404 40.380 39.000 -0.040 0.000 1.156 94 F HN -0.213 nan 8.300 nan 0.000 0.463 95 R N 1.916 122.574 120.500 0.264 0.000 2.873 95 R HA 0.360 4.700 4.340 -0.000 0.000 0.264 95 R C -2.044 174.316 176.300 0.099 0.000 1.026 95 R CA -2.438 53.755 56.100 0.155 0.000 1.002 95 R CB 1.153 31.524 30.300 0.118 0.000 1.174 95 R HN 0.218 nan 8.270 nan 0.000 0.488 96 P HA -0.213 nan 4.420 nan 0.000 0.216 96 P C 0.824 178.135 177.300 0.018 0.000 1.150 96 P CA 1.778 64.901 63.100 0.038 0.000 0.843 96 P CB 0.233 31.952 31.700 0.031 0.000 0.787 97 K N -0.736 119.676 120.400 0.019 0.000 2.147 97 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 97 K C 1.214 177.809 176.600 -0.008 0.000 1.049 97 K CA 1.715 58.005 56.287 0.004 0.000 0.936 97 K CB -0.817 31.686 32.500 0.005 0.000 0.722 97 K HN 0.055 nan 8.250 nan 0.000 0.446 98 D N 1.198 121.595 120.400 -0.004 0.000 2.347 98 D HA 0.058 4.698 4.640 -0.000 0.000 0.215 98 D C 0.768 177.009 176.300 -0.097 0.000 0.976 98 D CA 0.326 54.299 54.000 -0.046 0.000 0.884 98 D CB -0.141 40.641 40.800 -0.031 0.000 0.915 98 D HN 0.271 nan 8.370 nan 0.000 0.526 99 I N 0.426 120.958 120.570 -0.064 0.000 2.948 99 I HA -0.086 4.084 4.170 -0.000 0.000 0.303 99 I C 1.838 177.903 176.117 -0.086 0.000 1.224 99 I CA 1.126 62.379 61.300 -0.079 0.000 1.442 99 I CB 0.379 38.356 38.000 -0.039 0.000 1.328 99 I HN 0.204 nan 8.210 nan 0.000 0.578 100 G N 4.728 113.466 108.800 -0.104 0.000 2.225 100 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 100 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 100 G C 0.467 175.310 174.900 -0.095 0.000 0.988 100 G CA -0.184 44.866 45.100 -0.084 0.000 0.625 100 G HN 0.617 nan 8.290 nan 0.000 0.527 101 R N 0.775 121.189 120.500 -0.142 0.000 2.546 101 R HA 0.477 4.817 4.340 -0.000 0.000 0.266 101 R C -2.678 173.483 176.300 -0.233 0.000 1.086 101 R CA -1.805 54.209 56.100 -0.142 0.000 1.160 101 R CB 0.315 30.527 30.300 -0.146 0.000 1.138 101 R HN 0.058 nan 8.270 nan 0.000 0.567 102 P HA 0.064 nan 4.420 nan 0.000 0.276 102 P C -0.247 176.804 177.300 -0.415 0.000 1.264 102 P CA 0.125 62.983 63.100 -0.402 0.000 0.769 102 P CB 0.678 32.252 31.700 -0.209 0.000 0.840 103 K N 3.241 123.347 120.400 -0.489 0.000 2.015 103 K HA -0.254 4.066 4.320 -0.000 0.000 0.216 103 K C 1.945 178.442 176.600 -0.173 0.000 1.052 103 K CA 2.160 58.180 56.287 -0.445 0.000 0.937 103 K CB -0.672 31.705 32.500 -0.204 0.000 0.719 103 K HN 0.442 nan 8.250 nan 0.000 0.446 104 A N 1.403 124.127 122.820 -0.160 0.000 1.917 104 A HA -0.292 4.028 4.320 -0.000 0.000 0.219 104 A C 2.087 179.652 177.584 -0.032 0.000 1.182 104 A CA 2.025 54.029 52.037 -0.054 0.000 0.633 104 A CB -0.579 18.401 19.000 -0.033 0.000 0.819 104 A HN 0.468 nan 8.150 nan 0.000 0.448 105 E N -0.439 119.723 120.200 -0.064 0.000 2.007 105 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 105 E C 1.996 178.595 176.600 -0.001 0.000 0.999 105 E CA 1.665 58.052 56.400 -0.021 0.000 0.811 105 E CB -0.194 29.500 29.700 -0.009 0.000 0.762 105 E HN 0.316 nan 8.360 nan 0.000 0.450 106 V N 1.645 121.537 119.914 -0.037 0.000 2.282 106 V HA -0.346 3.774 4.120 -0.000 0.000 0.249 106 V C 2.482 178.684 176.094 0.180 0.000 1.057 106 V CA 1.973 64.296 62.300 0.039 0.000 1.032 106 V CB -1.182 30.587 31.823 -0.089 0.000 0.645 106 V HN 0.476 nan 8.190 nan 0.000 0.447 107 A N 0.359 123.315 122.820 0.227 0.000 1.881 107 A HA -0.300 4.020 4.320 -0.000 0.000 0.219 107 A C 2.462 180.098 177.584 0.085 0.000 1.215 107 A CA 3.183 55.325 52.037 0.174 0.000 0.648 107 A CB -1.185 17.881 19.000 0.110 0.000 0.832 107 A HN 0.675 nan 8.150 nan 0.000 0.455 108 A N -0.850 122.006 122.820 0.061 0.000 1.877 108 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 108 A C 2.052 179.692 177.584 0.093 0.000 1.186 108 A CA 1.962 54.028 52.037 0.047 0.000 0.620 108 A CB -0.696 18.305 19.000 0.002 0.000 0.822 108 A HN 0.734 nan 8.150 nan 0.000 0.443 109 E N -0.835 119.424 120.200 0.099 0.000 2.048 109 E HA -0.273 4.077 4.350 -0.000 0.000 0.202 109 E C 1.891 178.606 176.600 0.190 0.000 1.021 109 E CA 1.808 58.275 56.400 0.111 0.000 0.825 109 E CB -0.384 29.371 29.700 0.091 0.000 0.756 109 E HN 0.665 nan 8.360 nan 0.000 0.454 110 F N 0.765 120.744 119.950 0.048 0.000 2.046 110 F HA -0.234 4.293 4.527 -0.000 0.000 0.297 110 F C 2.426 178.261 175.800 0.057 0.000 1.123 110 F CA 1.210 59.245 58.000 0.057 0.000 1.199 110 F CB -0.191 38.853 39.000 0.073 0.000 0.972 110 F HN 0.094 nan 8.300 nan 0.000 0.474 111 L N 0.879 122.334 121.223 0.388 0.000 2.043 111 L HA -0.319 4.021 4.340 -0.000 0.000 0.212 111 L C 1.976 178.974 176.870 0.214 0.000 1.075 111 L CA 1.501 56.481 54.840 0.235 0.000 0.752 111 L CB -0.650 41.446 42.059 0.061 0.000 0.891 111 L HN 0.234 nan 8.230 nan 0.000 0.432 112 N N -0.473 118.325 118.700 0.164 0.000 2.585 112 N HA -0.188 4.552 4.740 -0.000 0.000 0.188 112 N C 1.151 176.738 175.510 0.129 0.000 1.102 112 N CA 1.076 54.201 53.050 0.125 0.000 0.920 112 N CB -0.106 38.432 38.487 0.085 0.000 0.963 112 N HN 0.526 nan 8.380 nan 0.000 0.447 113 D N 0.505 120.999 120.400 0.157 0.000 2.566 113 D HA -0.019 4.620 4.640 -0.000 0.000 0.253 113 D C 1.861 178.236 176.300 0.125 0.000 0.992 113 D CA 0.213 54.277 54.000 0.106 0.000 0.940 113 D CB 0.381 41.208 40.800 0.044 0.000 1.095 113 D HN -0.064 nan 8.370 nan 0.000 0.480 114 R N 0.534 121.160 120.500 0.211 0.000 2.105 114 R HA -0.023 4.317 4.340 -0.000 0.000 0.239 114 R C 0.318 176.730 176.300 0.186 0.000 1.135 114 R CA 0.876 57.111 56.100 0.226 0.000 0.967 114 R CB -0.261 30.325 30.300 0.478 0.000 0.861 114 R HN 0.018 nan 8.270 nan 0.000 0.442 115 V N 2.363 122.391 119.914 0.190 0.000 2.259 115 V HA 0.225 4.345 4.120 -0.000 0.000 0.267 115 V C -1.723 174.480 176.094 0.181 0.000 1.051 115 V CA -1.716 60.688 62.300 0.173 0.000 0.830 115 V CB 1.124 33.047 31.823 0.168 0.000 1.080 115 V HN 0.197 nan 8.190 nan 0.000 0.467 116 P HA -0.301 nan 4.420 nan 0.000 0.245 116 P C 0.770 178.178 177.300 0.181 0.000 0.756 116 P CA 1.911 65.142 63.100 0.219 0.000 1.075 116 P CB 0.017 31.928 31.700 0.352 0.000 0.774 117 N N -2.151 116.666 118.700 0.195 0.000 2.320 117 N HA 0.081 4.821 4.740 -0.000 0.000 0.237 117 N C 0.050 175.650 175.510 0.149 0.000 1.129 117 N CA -0.122 53.024 53.050 0.160 0.000 0.854 117 N CB -0.467 38.115 38.487 0.158 0.000 1.083 117 N HN 0.192 nan 8.380 nan 0.000 0.504 118 C N 1.012 120.407 119.300 0.158 0.000 2.700 118 C HA 0.148 4.608 4.460 -0.000 0.000 0.397 118 C C 1.116 176.168 174.990 0.103 0.000 1.301 118 C CA 0.098 59.203 59.018 0.146 0.000 2.219 118 C CB -0.281 27.551 27.740 0.153 0.000 2.699 118 C HN 0.468 nan 8.230 nan 0.000 0.669 119 N N 2.225 120.977 118.700 0.087 0.000 2.703 119 N HA 0.288 5.028 4.740 -0.000 0.000 0.283 119 N C -1.129 174.394 175.510 0.022 0.000 1.851 119 N CA -0.272 52.809 53.050 0.051 0.000 0.826 119 N CB 0.609 39.125 38.487 0.049 0.000 1.239 119 N HN 0.418 nan 8.380 nan 0.000 0.495 120 V N 1.241 121.165 119.914 0.017 0.000 2.555 120 V HA 0.275 4.395 4.120 -0.000 0.000 0.286 120 V C 0.146 176.173 176.094 -0.112 0.000 1.044 120 V CA -0.419 61.867 62.300 -0.024 0.000 1.026 120 V CB 1.318 33.145 31.823 0.007 0.000 0.981 120 V HN 0.134 nan 8.190 nan 0.000 0.480 121 V N 8.300 128.061 119.914 -0.254 0.000 2.357 121 V HA 0.375 4.495 4.120 -0.000 0.000 0.284 121 V C -1.983 173.884 176.094 -0.379 0.000 1.018 121 V CA -1.563 60.499 62.300 -0.397 0.000 0.841 121 V CB 1.659 33.019 31.823 -0.772 0.000 0.991 121 V HN 0.754 nan 8.190 nan 0.000 0.437 122 P HA 0.354 nan 4.420 nan 0.000 0.278 122 P C -0.984 176.096 177.300 -0.367 0.000 1.258 122 P CA -0.296 62.686 63.100 -0.197 0.000 0.811 122 P CB 1.067 32.721 31.700 -0.076 0.000 1.063 123 H N 1.008 120.161 119.070 0.139 0.000 3.021 123 H HA 0.136 4.692 4.556 -0.000 0.000 0.293 123 H C -0.900 174.579 175.328 0.251 0.000 1.244 123 H CA -0.445 55.733 56.048 0.217 0.000 1.596 123 H CB 0.055 29.973 29.762 0.260 0.000 1.720 123 H HN 0.301 nan 8.280 nan 0.000 0.537 124 F N 4.411 124.442 119.950 0.136 0.000 2.659 124 F HA 0.138 4.665 4.527 -0.000 0.000 0.356 124 F C -0.428 175.411 175.800 0.065 0.000 1.273 124 F CA -0.195 57.845 58.000 0.067 0.000 1.243 124 F CB -0.622 38.386 39.000 0.013 0.000 1.683 124 F HN 0.369 nan 8.300 nan 0.000 0.679 125 N N 2.453 121.396 118.700 0.404 0.000 2.774 125 N HA 0.320 5.060 4.740 -0.000 0.000 0.264 125 N C -1.418 174.203 175.510 0.186 0.000 1.415 125 N CA -0.883 52.318 53.050 0.251 0.000 0.815 125 N CB 1.975 40.576 38.487 0.190 0.000 1.514 125 N HN 0.253 nan 8.380 nan 0.000 0.523 126 K N 0.458 120.906 120.400 0.079 0.000 2.307 126 K HA 0.400 4.720 4.320 -0.000 0.000 0.263 126 K C 1.518 178.129 176.600 0.018 0.000 0.973 126 K CA -0.658 55.639 56.287 0.018 0.000 0.846 126 K CB 1.496 33.960 32.500 -0.061 0.000 1.100 126 K HN 0.647 nan 8.250 nan 0.000 0.438 127 I N -0.682 119.933 120.570 0.075 0.000 2.210 127 I HA -0.468 3.702 4.170 -0.000 0.000 0.249 127 I C 0.928 176.996 176.117 -0.081 0.000 1.047 127 I CA 1.527 62.934 61.300 0.177 0.000 1.323 127 I CB -0.704 37.370 38.000 0.123 0.000 1.017 127 I HN 0.618 nan 8.210 nan 0.000 0.427 128 Q N 1.147 120.550 119.800 -0.662 0.000 2.547 128 Q HA -0.081 4.259 4.340 -0.000 0.000 0.217 128 Q C 1.158 177.006 176.000 -0.253 0.000 0.978 128 Q CA 1.003 56.241 55.803 -0.941 0.000 0.962 128 Q CB -0.388 27.762 28.738 -0.980 0.000 0.990 128 Q HN 0.630 nan 8.270 nan 0.000 0.538 129 D N -0.922 119.386 120.400 -0.153 0.000 2.301 129 D HA 0.024 4.664 4.640 -0.000 0.000 0.206 129 D C -0.207 175.892 176.300 -0.335 0.000 0.979 129 D CA 0.430 54.242 54.000 -0.315 0.000 0.874 129 D CB 0.309 40.764 40.800 -0.575 0.000 0.968 129 D HN 0.134 nan 8.370 nan 0.000 0.510 130 F N 1.168 121.153 119.950 0.057 0.000 2.380 130 F HA 0.318 4.845 4.527 -0.000 0.000 0.321 130 F C 0.840 176.904 175.800 0.440 0.000 1.103 130 F CA -1.144 56.916 58.000 0.099 0.000 1.067 130 F CB 0.475 39.365 39.000 -0.182 0.000 1.265 130 F HN -0.219 nan 8.300 nan 0.000 0.517 131 N N -1.332 117.697 118.700 0.549 0.000 2.312 131 N HA 0.224 4.964 4.740 -0.000 0.000 0.296 131 N C 0.129 175.917 175.510 0.463 0.000 1.193 131 N CA -0.714 52.610 53.050 0.457 0.000 0.773 131 N CB 0.764 39.404 38.487 0.254 0.000 1.435 131 N HN 0.590 nan 8.380 nan 0.000 0.484 132 D N 0.020 120.617 120.400 0.327 0.000 3.000 132 D HA -0.399 4.241 4.640 -0.000 0.000 0.196 132 D C 0.967 177.409 176.300 0.237 0.000 1.110 132 D CA 2.861 57.009 54.000 0.246 0.000 0.873 132 D CB -1.472 39.389 40.800 0.103 0.000 0.948 132 D HN 0.642 nan 8.370 nan 0.000 0.496 133 T N 0.497 115.161 114.554 0.184 0.000 2.635 133 T HA -0.277 4.073 4.350 -0.000 0.000 0.265 133 T C 1.542 176.324 174.700 0.138 0.000 1.058 133 T CA 2.073 64.254 62.100 0.134 0.000 1.162 133 T CB -0.779 68.169 68.868 0.132 0.000 0.859 133 T HN 0.280 nan 8.240 nan 0.000 0.449 134 F N 0.861 120.829 119.950 0.031 0.000 2.075 134 F HA -0.077 4.450 4.527 -0.000 0.000 0.297 134 F C 2.039 177.713 175.800 -0.210 0.000 1.113 134 F CA 0.968 58.888 58.000 -0.133 0.000 1.218 134 F CB -0.762 38.131 39.000 -0.179 0.000 0.984 134 F HN 0.233 nan 8.300 nan 0.000 0.472 135 Y N 0.121 120.390 120.300 -0.051 0.000 2.352 135 Y HA -0.059 4.491 4.550 -0.000 0.000 0.292 135 Y C 2.480 178.308 175.900 -0.121 0.000 1.136 135 Y CA 1.131 59.168 58.100 -0.106 0.000 1.227 135 Y CB -0.611 37.877 38.460 0.046 0.000 0.991 135 Y HN -0.043 nan 8.280 nan 0.000 0.545 136 R N 0.342 120.852 120.500 0.015 0.000 2.170 136 R HA -0.230 4.110 4.340 -0.000 0.000 0.242 136 R C 2.043 178.225 176.300 -0.196 0.000 1.145 136 R CA 1.502 57.572 56.100 -0.050 0.000 0.984 136 R CB -0.339 29.937 30.300 -0.039 0.000 0.869 136 R HN 0.553 nan 8.270 nan 0.000 0.455 137 Q N -0.138 119.396 119.800 -0.443 0.000 2.077 137 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 137 Q C 0.141 175.656 176.000 -0.808 0.000 0.989 137 Q CA 1.215 56.566 55.803 -0.753 0.000 0.853 137 Q CB -0.209 27.731 28.738 -1.331 0.000 0.907 137 Q HN 0.216 nan 8.270 nan 0.000 0.418 138 F N -0.622 119.090 119.950 -0.397 0.000 2.382 138 F HA 0.078 4.605 4.527 -0.000 0.000 0.331 138 F C 1.576 177.230 175.800 -0.244 0.000 1.121 138 F CA -0.496 57.273 58.000 -0.384 0.000 1.183 138 F CB 0.448 39.262 39.000 -0.309 0.000 1.207 138 F HN 0.010 nan 8.300 nan 0.000 0.555 139 H N 1.337 120.493 119.070 0.143 0.000 2.431 139 H HA 0.360 4.916 4.556 -0.000 0.000 0.295 139 H C 0.301 175.675 175.328 0.076 0.000 1.038 139 H CA 0.910 57.008 56.048 0.083 0.000 1.360 139 H CB 0.354 30.165 29.762 0.083 0.000 1.433 139 H HN 0.317 nan 8.280 nan 0.000 0.536 140 I N 0.496 121.183 120.570 0.195 0.000 2.865 140 I HA 0.357 4.526 4.170 -0.000 0.000 0.302 140 I C -0.856 175.251 176.117 -0.016 0.000 1.140 140 I CA -0.761 60.587 61.300 0.081 0.000 1.021 140 I CB 3.372 41.417 38.000 0.075 0.000 1.233 140 I HN -0.190 nan 8.210 nan 0.000 0.427 141 I N 4.278 124.813 120.570 -0.058 0.000 2.569 141 I HA 0.433 4.602 4.170 -0.000 0.000 0.290 141 I C -1.002 175.051 176.117 -0.106 0.000 1.088 141 I CA -0.938 60.287 61.300 -0.125 0.000 1.047 141 I CB 2.348 40.286 38.000 -0.102 0.000 1.237 141 I HN 0.187 nan 8.210 nan 0.000 0.421 142 V N 2.429 122.266 119.914 -0.127 0.000 2.495 142 V HA 0.563 4.683 4.120 -0.000 0.000 0.298 142 V C -0.187 175.852 176.094 -0.092 0.000 1.031 142 V CA -0.652 61.582 62.300 -0.109 0.000 0.871 142 V CB 1.382 33.128 31.823 -0.129 0.000 0.988 142 V HN 0.790 nan 8.190 nan 0.000 0.432 143 C N 2.973 122.229 119.300 -0.073 0.000 2.358 143 C HA 0.936 5.396 4.460 -0.000 0.000 0.354 143 C C 1.075 176.030 174.990 -0.059 0.000 1.183 143 C CA 0.375 59.361 59.018 -0.053 0.000 2.150 143 C CB 1.263 28.986 27.740 -0.029 0.000 2.361 143 C HN 1.277 nan 8.230 nan 0.000 0.535 144 G N 1.984 110.754 108.800 -0.050 0.000 5.233 144 G HA2 0.353 4.313 3.960 -0.000 0.000 0.203 144 G HA3 0.353 4.313 3.960 -0.000 0.000 0.203 144 G C -0.611 174.263 174.900 -0.044 0.000 0.734 144 G CA -0.185 44.882 45.100 -0.056 0.000 0.662 144 G HN 0.579 nan 8.290 nan 0.000 0.468 145 L N 0.845 122.051 121.223 -0.029 0.000 2.399 145 L HA 0.377 4.717 4.340 -0.000 0.000 0.266 145 L C 0.909 177.761 176.870 -0.030 0.000 1.114 145 L CA -0.754 54.070 54.840 -0.026 0.000 0.804 145 L CB 1.381 43.432 42.059 -0.014 0.000 1.146 145 L HN 0.339 nan 8.230 nan 0.000 0.451 146 D N -0.554 119.823 120.400 -0.037 0.000 2.424 146 D HA 0.036 4.676 4.640 -0.000 0.000 0.220 146 D C 0.106 176.375 176.300 -0.052 0.000 1.150 146 D CA -0.076 53.900 54.000 -0.040 0.000 0.831 146 D CB 0.417 41.192 40.800 -0.042 0.000 0.981 146 D HN 0.426 nan 8.370 nan 0.000 0.500 147 S N -1.244 114.420 115.700 -0.060 0.000 2.667 147 S HA 0.549 5.019 4.470 -0.000 0.000 0.292 147 S C 0.893 175.423 174.600 -0.117 0.000 1.126 147 S CA -0.859 57.291 58.200 -0.084 0.000 0.881 147 S CB 1.267 64.425 63.200 -0.071 0.000 1.132 147 S HN -0.036 nan 8.310 nan 0.000 0.492 148 I N 0.583 121.052 120.570 -0.168 0.000 2.512 148 I HA 0.020 4.190 4.170 -0.000 0.000 0.247 148 I C 2.043 178.093 176.117 -0.111 0.000 1.094 148 I CA 0.334 61.488 61.300 -0.243 0.000 1.427 148 I CB -0.511 37.259 38.000 -0.384 0.000 1.149 148 I HN 0.643 nan 8.210 nan 0.000 0.438 149 I N 1.839 122.364 120.570 -0.074 0.000 2.093 149 I HA -0.408 3.762 4.170 -0.000 0.000 0.239 149 I C 2.949 179.098 176.117 0.053 0.000 1.026 149 I CA 1.912 63.209 61.300 -0.006 0.000 1.295 149 I CB -1.000 36.993 38.000 -0.012 0.000 1.007 149 I HN 0.223 nan 8.210 nan 0.000 0.401 150 A N 0.902 123.734 122.820 0.020 0.000 1.881 150 A HA -0.298 4.022 4.320 -0.000 0.000 0.219 150 A C 2.441 180.096 177.584 0.117 0.000 1.215 150 A CA 2.478 54.547 52.037 0.052 0.000 0.648 150 A CB -0.908 18.088 19.000 -0.007 0.000 0.832 150 A HN 0.405 nan 8.150 nan 0.000 0.455 151 R N -0.993 119.539 120.500 0.052 0.000 2.097 151 R HA -0.180 4.160 4.340 -0.000 0.000 0.236 151 R C 2.545 178.891 176.300 0.078 0.000 1.135 151 R CA 1.876 58.011 56.100 0.058 0.000 0.934 151 R CB -0.442 29.879 30.300 0.034 0.000 0.846 151 R HN 0.582 nan 8.270 nan 0.000 0.431 152 R N -0.503 120.035 120.500 0.063 0.000 2.112 152 R HA -0.239 4.101 4.340 -0.000 0.000 0.242 152 R C 2.090 178.435 176.300 0.075 0.000 1.137 152 R CA 2.025 58.158 56.100 0.055 0.000 0.944 152 R CB -0.617 29.706 30.300 0.039 0.000 0.857 152 R HN 0.388 nan 8.270 nan 0.000 0.435 153 W N 1.429 122.701 121.300 -0.046 0.000 2.315 153 W HA -0.215 4.445 4.660 -0.000 0.000 0.323 153 W C 2.065 178.535 176.519 -0.080 0.000 1.233 153 W CA 1.224 58.539 57.345 -0.050 0.000 1.267 153 W CB -0.332 29.108 29.460 -0.033 0.000 1.160 153 W HN -0.019 nan 8.180 nan 0.000 0.474 154 I N 1.805 122.603 120.570 0.380 0.000 2.423 154 I HA -0.302 3.868 4.170 -0.000 0.000 0.254 154 I C 1.881 177.912 176.117 -0.144 0.000 1.151 154 I CA 2.218 63.588 61.300 0.116 0.000 1.421 154 I CB -1.356 36.740 38.000 0.161 0.000 1.079 154 I HN 0.237 nan 8.210 nan 0.000 0.431 155 N N 0.786 119.435 118.700 -0.084 0.000 2.120 155 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 155 N C 1.932 177.334 175.510 -0.180 0.000 1.024 155 N CA 1.863 54.853 53.050 -0.100 0.000 0.852 155 N CB -0.454 38.009 38.487 -0.040 0.000 1.003 155 N HN 0.328 nan 8.380 nan 0.000 0.424 156 G N 0.594 109.236 108.800 -0.265 0.000 2.505 156 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.214 156 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.214 156 G C 1.452 176.114 174.900 -0.398 0.000 1.237 156 G CA 1.115 46.022 45.100 -0.321 0.000 0.802 156 G HN 0.390 nan 8.290 nan 0.000 0.549 157 M N 0.356 119.566 119.600 -0.651 0.000 2.146 157 M HA -0.116 4.364 4.480 -0.000 0.000 0.251 157 M C 2.227 178.300 176.300 -0.378 0.000 1.083 157 M CA 1.463 56.388 55.300 -0.624 0.000 1.076 157 M CB -0.496 31.526 32.600 -0.964 0.000 1.332 157 M HN 0.175 nan 8.290 nan 0.000 0.400 158 L N -1.086 119.945 121.223 -0.320 0.000 2.465 158 L HA -0.101 4.239 4.340 -0.000 0.000 0.224 158 L C 1.990 178.769 176.870 -0.151 0.000 1.145 158 L CA 0.557 55.279 54.840 -0.196 0.000 0.834 158 L CB -0.372 41.597 42.059 -0.150 0.000 0.944 158 L HN 0.440 nan 8.230 nan 0.000 0.451 159 I N -1.357 119.111 120.570 -0.171 0.000 2.628 159 I HA -0.163 4.007 4.170 -0.000 0.000 0.255 159 I C 2.513 178.530 176.117 -0.166 0.000 1.119 159 I CA 0.807 62.019 61.300 -0.148 0.000 1.448 159 I CB -0.042 37.882 38.000 -0.127 0.000 1.133 159 I HN 0.212 nan 8.210 nan 0.000 0.438 160 S N 1.678 117.276 115.700 -0.170 0.000 2.440 160 S HA -0.145 4.325 4.470 -0.000 0.000 0.240 160 S C 1.853 176.375 174.600 -0.131 0.000 1.014 160 S CA 1.015 59.126 58.200 -0.148 0.000 0.980 160 S CB -0.808 62.305 63.200 -0.146 0.000 0.775 160 S HN 0.419 nan 8.310 nan 0.000 0.499 161 L N 0.395 121.543 121.223 -0.124 0.000 2.313 161 L HA 0.192 4.532 4.340 -0.000 0.000 0.214 161 L C 0.893 177.687 176.870 -0.127 0.000 1.119 161 L CA 0.211 54.995 54.840 -0.093 0.000 0.809 161 L CB -0.742 41.280 42.059 -0.063 0.000 0.933 161 L HN 0.288 nan 8.230 nan 0.000 0.449 162 L N 1.540 122.649 121.223 -0.190 0.000 2.540 162 L HA -0.086 4.254 4.340 -0.000 0.000 0.276 162 L C 0.227 176.893 176.870 -0.339 0.000 1.212 162 L CA 0.225 54.891 54.840 -0.289 0.000 0.893 162 L CB -0.146 41.652 42.059 -0.435 0.000 1.138 162 L HN 0.159 nan 8.230 nan 0.000 0.491 163 N N 2.895 121.439 118.700 -0.260 0.000 2.446 163 N HA 0.256 4.995 4.740 -0.000 0.000 0.265 163 N C -1.436 174.035 175.510 -0.064 0.000 0.975 163 N CA -0.325 52.635 53.050 -0.150 0.000 0.928 163 N CB 0.619 39.075 38.487 -0.053 0.000 1.160 163 N HN 0.297 nan 8.380 nan 0.000 0.495 164 Y N 1.714 122.013 120.300 -0.001 0.000 2.434 164 Y HA 0.213 4.762 4.550 -0.000 0.000 0.341 164 Y C 0.214 176.114 175.900 0.001 0.000 0.965 164 Y CA -0.918 57.181 58.100 -0.000 0.000 1.205 164 Y CB 1.117 39.576 38.460 -0.001 0.000 1.121 164 Y HN 0.329 nan 8.280 nan 0.000 0.507 165 E N 4.710 125.017 120.200 0.178 0.000 1.852 165 E HA -0.014 4.336 4.350 -0.000 0.000 0.276 165 E C -0.676 175.955 176.600 0.051 0.000 1.163 165 E CA 0.165 56.618 56.400 0.088 0.000 1.117 165 E CB -0.169 29.570 29.700 0.064 0.000 1.124 165 E HN 0.716 nan 8.360 nan 0.000 0.458 166 D N 1.943 122.370 120.400 0.045 0.000 2.812 166 D HA -0.206 4.434 4.640 -0.000 0.000 0.237 166 D C 1.034 177.314 176.300 -0.033 0.000 1.162 166 D CA 1.219 55.224 54.000 0.008 0.000 0.740 166 D CB -0.952 39.851 40.800 0.006 0.000 1.000 166 D HN 0.829 nan 8.370 nan 0.000 0.416 167 G N -1.691 107.057 108.800 -0.086 0.000 2.347 167 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.247 167 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.247 167 G C 0.485 175.239 174.900 -0.244 0.000 1.037 167 G CA 0.319 45.302 45.100 -0.196 0.000 0.622 167 G HN 0.636 nan 8.290 nan 0.000 0.521 168 V N 2.145 121.999 119.914 -0.101 0.000 2.465 168 V HA 0.628 4.748 4.120 -0.000 0.000 0.279 168 V C 0.545 176.697 176.094 0.096 0.000 1.045 168 V CA -0.496 61.784 62.300 -0.034 0.000 0.938 168 V CB 1.590 33.417 31.823 0.006 0.000 0.986 168 V HN 0.529 nan 8.190 nan 0.000 0.467 169 L N 4.438 125.753 121.223 0.153 0.000 2.319 169 L HA 0.430 4.770 4.340 -0.000 0.000 0.280 169 L C 0.051 177.026 176.870 0.175 0.000 1.099 169 L CA 0.066 55.122 54.840 0.360 0.000 0.828 169 L CB 0.878 43.180 42.059 0.404 0.000 1.150 169 L HN 0.706 nan 8.230 nan 0.000 0.442 170 D N 7.570 128.053 120.400 0.138 0.000 2.338 170 D HA 0.159 4.799 4.640 -0.000 0.000 0.255 170 D C -1.551 174.777 176.300 0.047 0.000 1.237 170 D CA -1.835 52.206 54.000 0.068 0.000 0.883 170 D CB 1.224 42.051 40.800 0.044 0.000 1.087 170 D HN 0.435 nan 8.370 nan 0.000 0.485 171 P HA -0.204 nan 4.420 nan 0.000 0.216 171 P C 0.552 177.864 177.300 0.021 0.000 1.154 171 P CA 1.058 64.178 63.100 0.033 0.000 0.865 171 P CB -0.078 31.640 31.700 0.030 0.000 0.789 172 S N -1.042 114.668 115.700 0.017 0.000 2.859 172 S HA 0.167 4.636 4.470 -0.000 0.000 0.245 172 S C 1.159 175.764 174.600 0.009 0.000 1.008 172 S CA 0.198 58.407 58.200 0.014 0.000 1.089 172 S CB -1.162 62.046 63.200 0.014 0.000 0.798 172 S HN 0.309 nan 8.310 nan 0.000 0.477 173 S N 0.172 115.871 115.700 -0.001 0.000 2.847 173 S HA 0.393 4.863 4.470 -0.000 0.000 0.254 173 S C 0.030 174.609 174.600 -0.034 0.000 1.039 173 S CA -0.726 57.460 58.200 -0.024 0.000 1.113 173 S CB -0.382 62.789 63.200 -0.050 0.000 1.092 173 S HN 0.542 nan 8.310 nan 0.000 0.620 174 I N 1.932 122.495 120.570 -0.012 0.000 2.354 174 I HA 0.556 4.726 4.170 -0.000 0.000 0.292 174 I C -0.875 175.245 176.117 0.005 0.000 0.989 174 I CA -1.226 60.066 61.300 -0.013 0.000 1.188 174 I CB 1.877 39.877 38.000 -0.001 0.000 1.342 174 I HN -0.118 nan 8.210 nan 0.000 0.457 175 V N 7.527 127.441 119.914 -0.000 0.000 2.328 175 V HA 0.291 4.411 4.120 -0.000 0.000 0.278 175 V C -2.202 173.895 176.094 0.006 0.000 1.021 175 V CA -1.823 60.490 62.300 0.021 0.000 0.838 175 V CB 1.194 33.032 31.823 0.027 0.000 0.999 175 V HN 0.591 nan 8.190 nan 0.000 0.447 176 P HA 0.080 nan 4.420 nan 0.000 0.263 176 P C -0.751 176.539 177.300 -0.016 0.000 1.195 176 P CA -0.009 63.089 63.100 -0.002 0.000 0.762 176 P CB 0.426 32.129 31.700 0.004 0.000 0.799 177 L N 5.926 127.131 121.223 -0.030 0.000 2.318 177 L HA 0.470 4.809 4.340 -0.000 0.000 0.277 177 L C -1.170 175.669 176.870 -0.051 0.000 1.008 177 L CA -0.452 54.362 54.840 -0.042 0.000 0.846 177 L CB 0.468 42.501 42.059 -0.043 0.000 1.220 177 L HN 0.104 nan 8.230 nan 0.000 0.423 178 I N 4.262 124.794 120.570 -0.064 0.000 2.331 178 I HA 0.392 4.562 4.170 -0.000 0.000 0.292 178 I C -0.085 175.981 176.117 -0.086 0.000 0.998 178 I CA 0.007 61.259 61.300 -0.080 0.000 1.267 178 I CB 1.431 39.379 38.000 -0.088 0.000 1.386 178 I HN 0.641 nan 8.210 nan 0.000 0.476 179 D N 3.938 124.280 120.400 -0.097 0.000 2.252 179 D HA 0.740 5.380 4.640 -0.000 0.000 0.245 179 D C -0.332 175.897 176.300 -0.117 0.000 1.009 179 D CA -0.514 53.434 54.000 -0.087 0.000 0.870 179 D CB 1.560 42.327 40.800 -0.054 0.000 1.251 179 D HN 0.658 nan 8.370 nan 0.000 0.460 180 G N 0.541 109.286 108.800 -0.091 0.000 2.495 180 G HA2 0.638 4.598 3.960 -0.000 0.000 0.318 180 G HA3 0.638 4.598 3.960 -0.000 0.000 0.318 180 G C -0.709 174.154 174.900 -0.062 0.000 1.257 180 G CA -0.838 44.202 45.100 -0.101 0.000 0.962 180 G HN 0.572 nan 8.290 nan 0.000 0.483 181 G N -0.414 108.349 108.800 -0.061 0.000 2.638 181 G HA2 0.645 4.604 3.960 -0.000 0.000 0.302 181 G HA3 0.645 4.604 3.960 -0.000 0.000 0.302 181 G C -1.077 173.817 174.900 -0.009 0.000 1.365 181 G CA -0.331 44.765 45.100 -0.006 0.000 0.987 181 G HN 0.677 nan 8.290 nan 0.000 0.495 182 T N -0.081 114.477 114.554 0.006 0.000 2.864 182 T HA 0.723 5.073 4.350 -0.000 0.000 0.299 182 T C -1.367 173.344 174.700 0.019 0.000 1.166 182 T CA -0.475 61.626 62.100 0.001 0.000 1.007 182 T CB 2.172 71.017 68.868 -0.038 0.000 1.219 182 T HN 0.633 nan 8.240 nan 0.000 0.506 183 E N 0.819 121.031 120.200 0.019 0.000 2.749 183 E HA 0.412 4.762 4.350 -0.000 0.000 0.360 183 E C 0.189 176.797 176.600 0.014 0.000 1.037 183 E CA 0.435 56.847 56.400 0.020 0.000 0.684 183 E CB -0.328 29.406 29.700 0.057 0.000 1.422 183 E HN 1.076 nan 8.360 nan 0.000 0.407 184 G N 2.758 111.522 108.800 -0.061 0.000 2.531 184 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.274 184 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.274 184 G C 0.270 175.048 174.900 -0.204 0.000 1.159 184 G CA 0.402 45.418 45.100 -0.139 0.000 0.969 184 G HN 0.467 nan 8.290 nan 0.000 0.554 185 F N 2.394 122.399 119.950 0.092 0.000 2.765 185 F HA 0.343 4.870 4.527 -0.000 0.000 0.302 185 F C 1.590 177.506 175.800 0.193 0.000 1.111 185 F CA 0.694 58.775 58.000 0.135 0.000 1.359 185 F CB 0.330 39.390 39.000 0.100 0.000 1.097 185 F HN 0.075 nan 8.300 nan 0.000 0.577 186 K N 0.003 120.572 120.400 0.281 0.000 2.098 186 K HA 0.683 5.003 4.320 -0.000 0.000 0.258 186 K C 0.126 176.862 176.600 0.226 0.000 0.973 186 K CA -0.515 55.926 56.287 0.257 0.000 0.898 186 K CB 1.622 34.231 32.500 0.181 0.000 1.057 186 K HN 0.085 nan 8.250 nan 0.000 0.447 187 G N 1.024 109.973 108.800 0.249 0.000 2.677 187 G HA2 0.395 4.355 3.960 -0.000 0.000 0.291 187 G HA3 0.395 4.355 3.960 -0.000 0.000 0.291 187 G C -1.893 173.063 174.900 0.093 0.000 1.435 187 G CA -0.771 44.407 45.100 0.130 0.000 0.826 187 G HN 0.704 nan 8.290 nan 0.000 0.491 188 N N -0.914 117.776 118.700 -0.017 0.000 2.367 188 N HA 0.685 5.425 4.740 -0.000 0.000 0.278 188 N C -1.140 174.220 175.510 -0.249 0.000 1.117 188 N CA -0.516 52.457 53.050 -0.129 0.000 0.867 188 N CB 2.244 40.657 38.487 -0.123 0.000 1.649 188 N HN 1.101 nan 8.380 nan 0.000 0.479 189 A N 1.309 123.905 122.820 -0.374 0.000 2.414 189 A HA 0.845 5.165 4.320 -0.000 0.000 0.306 189 A C -0.600 176.680 177.584 -0.507 0.000 1.054 189 A CA -0.815 51.013 52.037 -0.349 0.000 0.724 189 A CB 1.722 20.576 19.000 -0.242 0.000 1.267 189 A HN 0.878 nan 8.150 nan 0.000 0.418 190 R N 0.710 120.970 120.500 -0.400 0.000 2.774 190 R HA 0.802 5.142 4.340 -0.000 0.000 0.272 190 R C -2.022 174.164 176.300 -0.190 0.000 1.000 190 R CA -0.672 55.210 56.100 -0.363 0.000 0.906 190 R CB 1.489 31.550 30.300 -0.398 0.000 1.227 190 R HN 0.374 nan 8.270 nan 0.000 0.468 191 V N 2.817 122.650 119.914 -0.135 0.000 2.555 191 V HA 0.559 4.679 4.120 -0.000 0.000 0.302 191 V C -0.122 175.943 176.094 -0.049 0.000 1.038 191 V CA -0.707 61.544 62.300 -0.082 0.000 0.887 191 V CB 1.761 33.543 31.823 -0.068 0.000 0.991 191 V HN 0.608 nan 8.190 nan 0.000 0.434 192 I N 5.046 125.594 120.570 -0.037 0.000 2.730 192 I HA 0.495 4.664 4.170 -0.000 0.000 0.298 192 I C -0.925 175.184 176.117 -0.014 0.000 1.089 192 I CA -0.610 60.679 61.300 -0.018 0.000 1.041 192 I CB 2.431 40.420 38.000 -0.017 0.000 1.235 192 I HN 0.376 nan 8.210 nan 0.000 0.423 193 L N 6.844 128.065 121.223 -0.003 0.000 2.502 193 L HA 0.312 4.652 4.340 -0.000 0.000 0.249 193 L C -2.352 174.521 176.870 0.004 0.000 1.446 193 L CA -1.555 53.285 54.840 -0.000 0.000 0.887 193 L CB 0.971 43.034 42.059 0.007 0.000 1.126 193 L HN 0.289 nan 8.230 nan 0.000 0.509 194 P HA -0.129 nan 4.420 nan 0.000 0.255 194 P C 0.911 178.215 177.300 0.006 0.000 1.141 194 P CA 1.508 64.601 63.100 -0.012 0.000 0.767 194 P CB 0.489 32.163 31.700 -0.043 0.000 0.726 195 G N 2.509 111.331 108.800 0.037 0.000 2.131 195 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.201 195 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.201 195 G C 0.206 175.159 174.900 0.087 0.000 1.000 195 G CA 0.330 45.484 45.100 0.091 0.000 0.680 195 G HN 0.514 nan 8.290 nan 0.000 0.514 196 M N -1.977 117.657 119.600 0.058 0.000 1.528 196 M HA 0.103 4.583 4.480 -0.000 0.000 0.169 196 M C 0.697 177.022 176.300 0.042 0.000 1.321 196 M CA 0.628 55.959 55.300 0.050 0.000 0.724 196 M CB 0.334 32.961 32.600 0.045 0.000 1.626 196 M HN 0.073 nan 8.290 nan 0.000 0.623 197 T N 1.722 116.296 114.554 0.035 0.000 2.874 197 T HA 0.586 4.936 4.350 -0.000 0.000 0.281 197 T C -0.154 174.569 174.700 0.038 0.000 0.994 197 T CA -0.307 61.813 62.100 0.034 0.000 1.015 197 T CB 1.342 70.224 68.868 0.023 0.000 1.028 197 T HN 0.342 nan 8.240 nan 0.000 0.523 198 A N 1.154 124.002 122.820 0.048 0.000 2.520 198 A HA 0.339 4.659 4.320 -0.000 0.000 0.245 198 A C 1.163 178.777 177.584 0.050 0.000 1.072 198 A CA -0.695 51.375 52.037 0.054 0.000 0.761 198 A CB -0.870 18.173 19.000 0.072 0.000 1.004 198 A HN 1.097 nan 8.150 nan 0.000 0.499 199 C N 2.308 121.634 119.300 0.043 0.000 2.694 199 C HA 0.501 4.961 4.460 -0.000 0.000 0.324 199 C C 1.828 176.852 174.990 0.056 0.000 1.813 199 C CA -0.626 58.413 59.018 0.034 0.000 2.009 199 C CB -0.449 27.301 27.740 0.018 0.000 1.939 199 C HN 0.723 nan 8.230 nan 0.000 0.551 200 I N 0.351 120.953 120.570 0.053 0.000 2.286 200 I HA -0.053 4.117 4.170 -0.000 0.000 0.245 200 I C 2.566 178.746 176.117 0.104 0.000 1.104 200 I CA 1.627 62.984 61.300 0.094 0.000 1.397 200 I CB -1.541 36.510 38.000 0.085 0.000 1.072 200 I HN 0.801 nan 8.210 nan 0.000 0.417 201 E N 0.305 120.542 120.200 0.062 0.000 2.268 201 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 201 E C 2.319 178.950 176.600 0.052 0.000 0.995 201 E CA 0.828 57.258 56.400 0.050 0.000 0.836 201 E CB -0.052 29.658 29.700 0.017 0.000 0.763 201 E HN 0.430 nan 8.360 nan 0.000 0.491 202 C N -0.392 118.940 119.300 0.055 0.000 2.548 202 C HA -0.091 4.369 4.460 -0.000 0.000 0.284 202 C C 2.101 177.127 174.990 0.059 0.000 1.252 202 C CA 1.437 60.486 59.018 0.052 0.000 1.725 202 C CB -1.253 26.520 27.740 0.054 0.000 2.098 202 C HN 0.533 nan 8.230 nan 0.000 0.471 203 T N 0.261 114.861 114.554 0.077 0.000 3.535 203 T HA 0.157 4.507 4.350 -0.000 0.000 0.238 203 T C 0.882 175.633 174.700 0.084 0.000 0.909 203 T CA 0.020 62.161 62.100 0.067 0.000 0.928 203 T CB -0.444 68.473 68.868 0.082 0.000 1.134 203 T HN 0.284 nan 8.240 nan 0.000 0.627 204 L N 1.044 122.332 121.223 0.109 0.000 2.201 204 L HA 0.148 4.488 4.340 -0.000 0.000 0.212 204 L C 1.992 178.973 176.870 0.186 0.000 1.105 204 L CA 1.597 56.545 54.840 0.181 0.000 0.775 204 L CB -0.454 41.676 42.059 0.118 0.000 0.913 204 L HN 0.358 nan 8.230 nan 0.000 0.440 205 E N -0.753 119.502 120.200 0.092 0.000 2.489 205 E HA -0.012 4.337 4.350 -0.000 0.000 0.193 205 E C 1.910 178.534 176.600 0.040 0.000 1.057 205 E CA 0.007 56.451 56.400 0.073 0.000 0.866 205 E CB -0.009 29.713 29.700 0.037 0.000 0.916 205 E HN 0.520 nan 8.360 nan 0.000 0.500 206 L N 0.379 121.589 121.223 -0.022 0.000 2.465 206 L HA -0.028 4.312 4.340 -0.000 0.000 0.224 206 L C 0.362 177.150 176.870 -0.136 0.000 1.145 206 L CA 0.414 55.193 54.840 -0.101 0.000 0.834 206 L CB -0.137 41.824 42.059 -0.163 0.000 0.944 206 L HN 0.149 nan 8.230 nan 0.000 0.451 207 Y N 0.503 120.845 120.300 0.069 0.000 2.319 207 Y HA 0.186 4.736 4.550 -0.000 0.000 0.328 207 Y C -1.494 174.435 175.900 0.048 0.000 1.133 207 Y CA -2.286 55.851 58.100 0.063 0.000 1.265 207 Y CB 0.053 38.542 38.460 0.050 0.000 1.218 207 Y HN -0.043 nan 8.280 nan 0.000 0.508 208 P HA 0.097 nan 4.420 nan 0.000 0.272 208 P C -2.583 174.785 177.300 0.113 0.000 1.254 208 P CA -0.993 62.184 63.100 0.128 0.000 0.795 208 P CB -0.042 31.728 31.700 0.117 0.000 1.022 209 P HA 0.188 nan 4.420 nan 0.000 0.293 209 P C -0.931 176.400 177.300 0.052 0.000 1.313 209 P CA -0.509 62.629 63.100 0.062 0.000 0.787 209 P CB 0.313 32.047 31.700 0.055 0.000 0.910 210 Q N 1.708 121.528 119.800 0.033 0.000 2.271 210 Q HA 0.178 4.518 4.340 -0.000 0.000 0.273 210 Q C -0.502 175.504 176.000 0.010 0.000 1.051 210 Q CA -0.607 55.202 55.803 0.010 0.000 0.901 210 Q CB 0.114 28.842 28.738 -0.017 0.000 1.174 210 Q HN 0.147 nan 8.270 nan 0.000 0.385 211 V N 4.095 124.017 119.914 0.014 0.000 2.420 211 V HA -0.065 4.055 4.120 -0.000 0.000 0.274 211 V C 0.127 176.198 176.094 -0.038 0.000 1.003 211 V CA 0.365 62.691 62.300 0.044 0.000 1.092 211 V CB -0.801 31.077 31.823 0.092 0.000 1.002 211 V HN 0.839 nan 8.190 nan 0.000 0.473 212 N N 4.864 123.583 118.700 0.033 0.000 2.443 212 N HA 0.442 5.182 4.740 -0.000 0.000 0.269 212 N C -0.611 175.009 175.510 0.185 0.000 0.985 212 N CA -0.622 52.426 53.050 -0.004 0.000 0.921 212 N CB 0.890 39.380 38.487 0.003 0.000 1.195 212 N HN 0.563 nan 8.380 nan 0.000 0.492 213 F N 2.944 122.911 119.950 0.028 0.000 2.504 213 F HA 0.202 4.729 4.527 -0.000 0.000 0.369 213 F C -1.587 174.198 175.800 -0.026 0.000 1.082 213 F CA -1.888 56.113 58.000 0.001 0.000 1.216 213 F CB 0.516 39.520 39.000 0.007 0.000 1.108 213 F HN 0.242 nan 8.300 nan 0.000 0.554 214 P HA 0.033 nan 4.420 nan 0.000 0.276 214 P C 0.738 178.059 177.300 0.035 0.000 1.264 214 P CA -0.069 63.066 63.100 0.058 0.000 0.769 214 P CB 0.795 32.505 31.700 0.018 0.000 0.840 215 M N 3.646 123.278 119.600 0.054 0.000 2.192 215 M HA -0.333 4.147 4.480 -0.000 0.000 0.256 215 M C 1.643 177.957 176.300 0.024 0.000 1.076 215 M CA 2.389 57.721 55.300 0.054 0.000 1.075 215 M CB -0.351 32.283 32.600 0.057 0.000 1.368 215 M HN 0.446 nan 8.290 nan 0.000 0.406 216 A N 0.322 123.145 122.820 0.005 0.000 1.859 216 A HA -0.299 4.020 4.320 -0.000 0.000 0.218 216 A C 2.175 179.728 177.584 -0.051 0.000 1.209 216 A CA 3.311 55.341 52.037 -0.011 0.000 0.639 216 A CB -1.770 17.222 19.000 -0.013 0.000 0.835 216 A HN 0.728 nan 8.150 nan 0.000 0.450 217 T N -1.435 113.055 114.554 -0.106 0.000 2.803 217 T HA -0.100 4.250 4.350 -0.000 0.000 0.269 217 T C 1.743 176.297 174.700 -0.244 0.000 1.052 217 T CA 1.604 63.585 62.100 -0.199 0.000 1.136 217 T CB -0.723 67.946 68.868 -0.332 0.000 0.864 217 T HN 0.387 nan 8.240 nan 0.000 0.467 218 I N 1.163 121.628 120.570 -0.175 0.000 2.567 218 I HA 0.003 4.173 4.170 -0.000 0.000 0.257 218 I C 2.850 178.940 176.117 -0.045 0.000 1.184 218 I CA 1.192 62.445 61.300 -0.077 0.000 1.451 218 I CB -0.341 37.714 38.000 0.091 0.000 1.089 218 I HN 0.435 nan 8.210 nan 0.000 0.441 219 A N -1.103 121.697 122.820 -0.035 0.000 2.127 219 A HA 0.140 4.460 4.320 -0.000 0.000 0.204 219 A C 2.203 179.730 177.584 -0.096 0.000 1.243 219 A CA 0.337 52.353 52.037 -0.035 0.000 0.887 219 A CB 0.105 19.180 19.000 0.125 0.000 0.933 219 A HN 0.232 nan 8.150 nan 0.000 0.479 220 S N -0.107 115.549 115.700 -0.073 0.000 2.510 220 S HA 0.221 4.691 4.470 -0.000 0.000 0.230 220 S C 0.783 175.371 174.600 -0.021 0.000 1.066 220 S CA 0.844 59.031 58.200 -0.021 0.000 0.941 220 S CB 0.004 63.203 63.200 -0.002 0.000 0.829 220 S HN 0.659 nan 8.310 nan 0.000 0.530 221 M N 0.919 120.462 119.600 -0.095 0.000 1.949 221 M HA 0.532 5.012 4.480 -0.000 0.000 0.234 221 M C -3.515 172.692 176.300 -0.155 0.000 0.855 221 M CA -1.845 53.410 55.300 -0.075 0.000 0.800 221 M CB 1.470 34.052 32.600 -0.029 0.000 1.697 221 M HN -0.240 nan 8.290 nan 0.000 0.357 222 P HA 0.449 nan 4.420 nan 0.000 0.276 222 P C -0.340 176.955 177.300 -0.009 0.000 1.244 222 P CA -0.285 62.704 63.100 -0.185 0.000 0.801 222 P CB 1.037 32.481 31.700 -0.427 0.000 1.006 223 R N 0.364 120.954 120.500 0.150 0.000 2.769 223 R HA 0.292 4.632 4.340 -0.000 0.000 0.191 223 R C 0.070 176.325 176.300 -0.075 0.000 0.881 223 R CA -0.089 56.038 56.100 0.046 0.000 1.133 223 R CB 0.066 30.405 30.300 0.064 0.000 1.607 223 R HN 0.276 nan 8.270 nan 0.000 0.613 224 L N 1.634 122.689 121.223 -0.280 0.000 2.334 224 L HA 0.444 4.784 4.340 -0.000 0.000 0.272 224 L C -1.948 174.776 176.870 -0.244 0.000 1.020 224 L CA -2.380 52.242 54.840 -0.363 0.000 0.812 224 L CB 1.376 43.048 42.059 -0.645 0.000 1.264 224 L HN -0.295 nan 8.230 nan 0.000 0.439 225 P HA -0.152 nan 4.420 nan 0.000 0.218 225 P C 0.854 178.145 177.300 -0.014 0.000 1.148 225 P CA 1.066 64.141 63.100 -0.041 0.000 0.822 225 P CB 0.341 32.039 31.700 -0.003 0.000 0.784 226 E N -1.364 118.802 120.200 -0.058 0.000 2.058 226 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 226 E C 1.859 178.577 176.600 0.196 0.000 0.997 226 E CA 1.290 57.741 56.400 0.085 0.000 0.801 226 E CB -0.966 28.813 29.700 0.133 0.000 0.746 226 E HN 0.532 nan 8.360 nan 0.000 0.450 227 H N -1.319 117.741 119.070 -0.016 0.000 2.489 227 H HA -0.087 4.469 4.556 -0.000 0.000 0.293 227 H C 1.777 177.111 175.328 0.009 0.000 1.066 227 H CA 0.666 56.680 56.048 -0.056 0.000 1.305 227 H CB 0.010 29.637 29.762 -0.226 0.000 1.386 227 H HN 0.226 nan 8.280 nan 0.000 0.551 228 C N 0.255 119.619 119.300 0.108 0.000 2.543 228 C HA -0.062 4.398 4.460 -0.000 0.000 0.281 228 C C 2.689 177.777 174.990 0.164 0.000 1.276 228 C CA 0.254 59.314 59.018 0.070 0.000 1.700 228 C CB -0.645 27.103 27.740 0.013 0.000 2.093 228 C HN 0.482 nan 8.230 nan 0.000 0.488 229 I N 1.214 121.871 120.570 0.145 0.000 2.069 229 I HA -0.258 3.912 4.170 -0.000 0.000 0.237 229 I C 2.609 178.833 176.117 0.179 0.000 1.053 229 I CA 2.104 63.494 61.300 0.149 0.000 1.311 229 I CB -0.823 37.258 38.000 0.134 0.000 1.030 229 I HN 0.309 nan 8.210 nan 0.000 0.398 230 E N 0.443 120.777 120.200 0.222 0.000 2.253 230 E HA -0.306 4.044 4.350 -0.000 0.000 0.202 230 E C 1.893 178.619 176.600 0.209 0.000 1.014 230 E CA 1.655 58.188 56.400 0.221 0.000 0.823 230 E CB -0.386 29.540 29.700 0.376 0.000 0.736 230 E HN 0.584 nan 8.360 nan 0.000 0.478 231 Y N -0.485 119.878 120.300 0.105 0.000 2.153 231 Y HA -0.067 4.483 4.550 -0.000 0.000 0.289 231 Y C 2.024 177.981 175.900 0.095 0.000 1.119 231 Y CA 1.530 59.675 58.100 0.075 0.000 1.116 231 Y CB -0.506 37.969 38.460 0.025 0.000 1.004 231 Y HN -0.083 nan 8.280 nan 0.000 0.501 232 V N 2.148 122.133 119.914 0.118 0.000 2.944 232 V HA -0.277 3.843 4.120 -0.000 0.000 0.265 232 V C 2.327 178.491 176.094 0.117 0.000 1.125 232 V CA 2.280 64.605 62.300 0.041 0.000 1.145 232 V CB -0.907 30.955 31.823 0.064 0.000 0.725 232 V HN 0.468 nan 8.190 nan 0.000 0.510 233 R N -0.389 120.159 120.500 0.080 0.000 2.076 233 R HA 0.132 4.472 4.340 -0.000 0.000 0.203 233 R C 2.265 178.583 176.300 0.030 0.000 1.229 233 R CA 0.632 56.778 56.100 0.076 0.000 1.094 233 R CB -0.251 30.066 30.300 0.028 0.000 0.991 233 R HN 0.378 nan 8.270 nan 0.000 0.471 234 M N 0.703 120.306 119.600 0.006 0.000 2.358 234 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 234 M C 0.769 177.058 176.300 -0.019 0.000 1.064 234 M CA 1.533 56.832 55.300 -0.002 0.000 1.093 234 M CB 0.312 32.926 32.600 0.023 0.000 1.401 234 M HN 0.344 nan 8.290 nan 0.000 0.440 235 L N -2.627 118.532 121.223 -0.107 0.000 2.678 235 L HA 0.056 4.396 4.340 -0.000 0.000 0.187 235 L C 2.134 178.923 176.870 -0.136 0.000 1.073 235 L CA 0.080 54.827 54.840 -0.155 0.000 0.883 235 L CB -0.725 41.165 42.059 -0.281 0.000 1.501 235 L HN 0.079 nan 8.230 nan 0.000 0.488 236 Q N 0.287 119.904 119.800 -0.304 0.000 2.197 236 Q HA -0.264 4.076 4.340 -0.000 0.000 0.207 236 Q C 2.022 178.170 176.000 0.247 0.000 0.984 236 Q CA 2.277 58.044 55.803 -0.059 0.000 0.869 236 Q CB -0.076 28.616 28.738 -0.078 0.000 0.906 236 Q HN 0.592 nan 8.270 nan 0.000 0.426 237 W N 1.016 122.395 121.300 0.131 0.000 2.413 237 W HA -0.010 4.650 4.660 -0.000 0.000 0.315 237 W C -1.207 175.313 176.519 0.001 0.000 1.186 237 W CA 1.033 58.453 57.345 0.124 0.000 1.326 237 W CB -1.434 28.101 29.460 0.126 0.000 1.153 237 W HN 0.113 nan 8.180 nan 0.000 0.489 238 P HA -0.186 nan 4.420 nan 0.000 0.221 238 P C 1.340 178.675 177.300 0.058 0.000 1.145 238 P CA 2.328 65.549 63.100 0.202 0.000 0.795 238 P CB -0.114 31.680 31.700 0.156 0.000 0.775 239 K N 1.195 121.620 120.400 0.042 0.000 1.992 239 K HA -0.092 4.228 4.320 -0.000 0.000 0.210 239 K C 1.164 177.742 176.600 -0.036 0.000 1.036 239 K CA 1.253 57.546 56.287 0.010 0.000 0.946 239 K CB -0.706 31.810 32.500 0.026 0.000 0.742 239 K HN 0.113 nan 8.250 nan 0.000 0.442 240 E N 2.086 122.259 120.200 -0.045 0.000 2.422 240 E HA 0.029 4.379 4.350 -0.000 0.000 0.267 240 E C -0.778 175.654 176.600 -0.280 0.000 1.466 240 E CA -0.280 56.059 56.400 -0.103 0.000 1.767 240 E CB -0.263 29.424 29.700 -0.022 0.000 1.471 240 E HN 0.119 nan 8.360 nan 0.000 0.446 241 Q N 0.508 120.110 119.800 -0.330 0.000 2.524 241 Q HA -0.175 4.165 4.340 -0.000 0.000 0.241 241 Q C -1.598 173.965 176.000 -0.728 0.000 1.234 241 Q CA 0.289 55.784 55.803 -0.513 0.000 0.852 241 Q CB -0.419 28.145 28.738 -0.289 0.000 0.965 241 Q HN 0.456 nan 8.270 nan 0.000 0.331 242 P HA -0.185 nan 4.420 nan 0.000 0.214 242 P C 0.124 176.667 177.300 -1.262 0.000 1.169 242 P CA 1.477 63.618 63.100 -1.598 0.000 0.908 242 P CB 0.107 30.203 31.700 -2.673 0.000 0.791 243 F N -0.819 118.602 119.950 -0.882 0.000 2.389 243 F HA 0.558 5.085 4.527 -0.000 0.000 0.327 243 F C 1.086 176.723 175.800 -0.271 0.000 1.204 243 F CA -0.281 57.469 58.000 -0.417 0.000 1.209 243 F CB 0.160 39.040 39.000 -0.200 0.000 1.460 243 F HN -0.013 nan 8.300 nan 0.000 0.537 244 G N 1.004 109.705 108.800 -0.164 0.000 2.733 244 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 244 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 244 G C -0.488 174.342 174.900 -0.116 0.000 1.373 244 G CA -1.119 43.920 45.100 -0.101 0.000 0.838 244 G HN 0.417 nan 8.290 nan 0.000 0.588 245 E N 0.115 120.266 120.200 -0.082 0.000 2.392 245 E HA 0.427 4.777 4.350 -0.000 0.000 0.259 245 E C 1.561 178.147 176.600 -0.024 0.000 1.108 245 E CA 0.678 57.039 56.400 -0.066 0.000 0.916 245 E CB 0.698 30.369 29.700 -0.049 0.000 0.989 245 E HN 2.071 nan 8.360 nan 0.000 0.432 246 G N 0.994 109.791 108.800 -0.006 0.000 2.530 246 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.247 246 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.247 246 G C 0.495 175.435 174.900 0.067 0.000 1.067 246 G CA 0.479 45.596 45.100 0.028 0.000 0.650 246 G HN 0.433 nan 8.290 nan 0.000 0.531 247 V N 3.406 123.363 119.914 0.072 0.000 2.509 247 V HA 0.298 4.418 4.120 -0.000 0.000 0.297 247 V C -0.938 175.322 176.094 0.277 0.000 1.014 247 V CA -0.270 62.115 62.300 0.141 0.000 1.127 247 V CB 0.614 32.520 31.823 0.138 0.000 0.925 247 V HN 0.287 nan 8.190 nan 0.000 0.480 248 P HA 0.253 nan 4.420 nan 0.000 0.276 248 P C -0.613 176.809 177.300 0.203 0.000 1.252 248 P CA -0.728 62.505 63.100 0.222 0.000 0.802 248 P CB 0.518 32.270 31.700 0.088 0.000 1.035 249 L N 1.737 122.807 121.223 -0.255 0.000 2.312 249 L HA 0.259 4.599 4.340 -0.000 0.000 0.287 249 L C -0.367 176.350 176.870 -0.256 0.000 1.091 249 L CA -0.220 54.109 54.840 -0.853 0.000 0.846 249 L CB -1.084 40.099 42.059 -1.459 0.000 1.219 249 L HN 0.168 nan 8.230 nan 0.000 0.439 250 D N 3.303 123.791 120.400 0.146 0.000 2.435 250 D HA 0.234 4.874 4.640 -0.000 0.000 0.230 250 D C 1.533 177.815 176.300 -0.031 0.000 1.215 250 D CA 0.631 54.642 54.000 0.018 0.000 0.947 250 D CB 0.952 41.680 40.800 -0.121 0.000 1.048 250 D HN 0.730 nan 8.370 nan 0.000 0.512 251 G N 3.252 112.005 108.800 -0.080 0.000 2.562 251 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.223 251 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.223 251 G C 1.109 175.971 174.900 -0.065 0.000 1.102 251 G CA 0.638 45.691 45.100 -0.077 0.000 0.742 251 G HN 0.547 nan 8.290 nan 0.000 0.587 252 D N 0.002 120.354 120.400 -0.080 0.000 2.333 252 D HA -0.020 4.620 4.640 -0.000 0.000 0.208 252 D C 0.307 176.554 176.300 -0.089 0.000 0.984 252 D CA 0.062 54.017 54.000 -0.075 0.000 0.873 252 D CB 0.190 40.945 40.800 -0.074 0.000 0.935 252 D HN 0.217 nan 8.370 nan 0.000 0.521 253 D N 1.520 121.819 120.400 -0.169 0.000 2.383 253 D HA 0.031 4.670 4.640 -0.000 0.000 0.245 253 D C -1.608 174.632 176.300 -0.100 0.000 1.263 253 D CA -1.958 51.887 54.000 -0.259 0.000 0.936 253 D CB 1.811 42.192 40.800 -0.699 0.000 1.053 253 D HN -0.120 nan 8.370 nan 0.000 0.507 254 P HA -0.242 nan 4.420 nan 0.000 0.219 254 P C 0.945 178.381 177.300 0.227 0.000 1.159 254 P CA 1.593 64.782 63.100 0.149 0.000 0.944 254 P CB 0.209 31.970 31.700 0.103 0.000 0.792 255 E N -2.108 118.192 120.200 0.168 0.000 2.187 255 E HA -0.265 4.085 4.350 -0.000 0.000 0.199 255 E C 1.992 178.941 176.600 0.582 0.000 1.004 255 E CA 1.129 57.726 56.400 0.327 0.000 0.813 255 E CB -0.500 29.356 29.700 0.260 0.000 0.736 255 E HN 0.579 nan 8.360 nan 0.000 0.468 256 H N -0.095 119.111 119.070 0.227 0.000 2.307 256 H HA -0.028 4.528 4.556 -0.000 0.000 0.303 256 H C 2.342 177.971 175.328 0.503 0.000 1.073 256 H CA 0.889 57.169 56.048 0.388 0.000 1.338 256 H CB 0.107 29.905 29.762 0.061 0.000 1.389 256 H HN 0.096 nan 8.280 nan 0.000 0.503 257 I N 0.775 121.621 120.570 0.460 0.000 2.179 257 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 257 I C 2.698 179.153 176.117 0.563 0.000 1.088 257 I CA 1.090 62.612 61.300 0.371 0.000 1.357 257 I CB -0.222 37.868 38.000 0.150 0.000 1.051 257 I HN 0.219 nan 8.210 nan 0.000 0.409 258 Q N 0.599 120.779 119.800 0.633 0.000 2.112 258 Q HA -0.283 4.057 4.340 -0.000 0.000 0.206 258 Q C 1.891 178.252 176.000 0.602 0.000 0.987 258 Q CA 2.191 58.359 55.803 0.608 0.000 0.858 258 Q CB -0.575 28.410 28.738 0.411 0.000 0.905 258 Q HN 0.582 nan 8.270 nan 0.000 0.420 259 W N 0.146 121.715 121.300 0.448 0.000 2.380 259 W HA -0.090 4.570 4.660 -0.000 0.000 0.317 259 W C 1.778 178.496 176.519 0.331 0.000 1.196 259 W CA 1.809 59.373 57.345 0.365 0.000 1.307 259 W CB -0.434 29.284 29.460 0.431 0.000 1.157 259 W HN 0.174 nan 8.180 nan 0.000 0.483 260 I N 0.201 121.110 120.570 0.565 0.000 2.248 260 I HA -0.335 3.835 4.170 -0.000 0.000 0.248 260 I C 2.432 178.635 176.117 0.143 0.000 1.107 260 I CA 1.708 63.170 61.300 0.270 0.000 1.373 260 I CB -0.938 37.285 38.000 0.372 0.000 1.055 260 I HN 0.058 nan 8.210 nan 0.000 0.418 261 F N 2.034 122.068 119.950 0.140 0.000 2.051 261 F HA -0.308 4.219 4.527 -0.000 0.000 0.296 261 F C 2.644 178.470 175.800 0.043 0.000 1.122 261 F CA 2.168 60.246 58.000 0.131 0.000 1.201 261 F CB -0.716 38.464 39.000 0.300 0.000 0.978 261 F HN -0.025 nan 8.300 nan 0.000 0.472 262 Q N 0.881 120.600 119.800 -0.135 0.000 2.077 262 Q HA -0.216 4.124 4.340 -0.000 0.000 0.206 262 Q C 2.083 177.866 176.000 -0.362 0.000 0.989 262 Q CA 2.182 57.801 55.803 -0.307 0.000 0.853 262 Q CB -0.272 28.393 28.738 -0.121 0.000 0.907 262 Q HN 0.234 nan 8.270 nan 0.000 0.418 263 K N -0.553 119.583 120.400 -0.439 0.000 2.155 263 K HA 0.054 4.374 4.320 -0.000 0.000 0.203 263 K C 2.210 178.679 176.600 -0.218 0.000 1.052 263 K CA 1.149 57.182 56.287 -0.424 0.000 0.948 263 K CB -0.251 31.787 32.500 -0.771 0.000 0.728 263 K HN 0.125 nan 8.250 nan 0.000 0.448 264 S N 1.630 117.227 115.700 -0.172 0.000 2.428 264 S HA 0.017 4.487 4.470 -0.000 0.000 0.230 264 S C 1.907 176.430 174.600 -0.128 0.000 1.014 264 S CA 0.394 58.552 58.200 -0.069 0.000 0.957 264 S CB -0.055 63.149 63.200 0.007 0.000 0.784 264 S HN 0.196 nan 8.310 nan 0.000 0.499 265 L N 1.292 122.349 121.223 -0.277 0.000 2.093 265 L HA -0.110 4.229 4.340 -0.000 0.000 0.208 265 L C 2.322 179.089 176.870 -0.170 0.000 1.085 265 L CA 1.372 56.030 54.840 -0.303 0.000 0.755 265 L CB -0.247 41.479 42.059 -0.554 0.000 0.904 265 L HN 0.361 nan 8.230 nan 0.000 0.435 266 E N -0.749 119.357 120.200 -0.157 0.000 2.072 266 E HA -0.251 4.099 4.350 -0.000 0.000 0.190 266 E C 2.131 178.710 176.600 -0.034 0.000 0.982 266 E CA 0.688 57.034 56.400 -0.091 0.000 0.803 266 E CB 0.014 29.657 29.700 -0.095 0.000 0.755 266 E HN 0.239 nan 8.360 nan 0.000 0.453 267 R N 1.389 121.876 120.500 -0.022 0.000 2.073 267 R HA -0.123 4.217 4.340 -0.000 0.000 0.234 267 R C 2.136 178.472 176.300 0.060 0.000 1.134 267 R CA 1.646 57.763 56.100 0.028 0.000 0.952 267 R CB -0.634 29.668 30.300 0.004 0.000 0.850 267 R HN 0.154 nan 8.270 nan 0.000 0.433 268 A N -0.518 122.307 122.820 0.009 0.000 1.892 268 A HA -0.243 4.077 4.320 -0.000 0.000 0.218 268 A C 2.309 179.922 177.584 0.049 0.000 1.188 268 A CA 2.244 54.293 52.037 0.021 0.000 0.631 268 A CB -1.286 17.708 19.000 -0.010 0.000 0.822 268 A HN 0.495 nan 8.150 nan 0.000 0.447 269 S N -1.002 114.708 115.700 0.016 0.000 2.370 269 S HA -0.256 4.214 4.470 -0.000 0.000 0.226 269 S C 2.168 176.778 174.600 0.017 0.000 1.033 269 S CA 1.785 59.989 58.200 0.007 0.000 1.011 269 S CB -0.415 62.773 63.200 -0.019 0.000 0.852 269 S HN 0.676 nan 8.310 nan 0.000 0.457 270 Q N -0.854 118.972 119.800 0.044 0.000 2.014 270 Q HA -0.158 4.182 4.340 -0.000 0.000 0.207 270 Q C 1.186 177.123 176.000 -0.106 0.000 0.993 270 Q CA 1.985 57.774 55.803 -0.023 0.000 0.850 270 Q CB -0.281 28.479 28.738 0.036 0.000 0.916 270 Q HN 0.716 nan 8.270 nan 0.000 0.417 271 Y N 1.353 121.618 120.300 -0.058 0.000 2.470 271 Y HA 0.048 4.598 4.550 -0.000 0.000 0.284 271 Y C 0.152 176.029 175.900 -0.038 0.000 1.188 271 Y CA -0.105 57.965 58.100 -0.049 0.000 1.269 271 Y CB -0.629 37.797 38.460 -0.057 0.000 1.094 271 Y HN 0.280 nan 8.280 nan 0.000 0.518 272 N N 0.537 119.285 118.700 0.080 0.000 2.678 272 N HA -0.281 4.459 4.740 -0.000 0.000 0.268 272 N C -0.858 174.679 175.510 0.044 0.000 1.010 272 N CA 0.697 53.771 53.050 0.040 0.000 0.784 272 N CB -1.683 36.810 38.487 0.010 0.000 0.905 272 N HN 0.497 nan 8.380 nan 0.000 0.552 273 I N 0.828 121.427 120.570 0.048 0.000 2.330 273 I HA 0.263 4.433 4.170 -0.000 0.000 0.289 273 I C 1.042 177.167 176.117 0.014 0.000 1.001 273 I CA -0.714 60.601 61.300 0.025 0.000 1.193 273 I CB 0.962 38.969 38.000 0.013 0.000 1.345 273 I HN 0.037 nan 8.210 nan 0.000 0.461 274 R N 3.849 124.356 120.500 0.011 0.000 2.528 274 R HA 0.604 4.944 4.340 -0.000 0.000 0.271 274 R C 0.805 177.115 176.300 0.017 0.000 1.056 274 R CA -0.123 55.987 56.100 0.015 0.000 1.117 274 R CB 0.817 31.126 30.300 0.016 0.000 1.085 274 R HN 0.939 nan 8.270 nan 0.000 0.530 275 G N 0.133 108.952 108.800 0.033 0.000 2.151 275 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.140 275 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.140 275 G C -0.440 174.501 174.900 0.067 0.000 1.020 275 G CA -0.625 44.500 45.100 0.041 0.000 0.688 275 G HN 0.370 nan 8.290 nan 0.000 0.500 276 V N 1.941 121.908 119.914 0.088 0.000 2.353 276 V HA 0.668 4.788 4.120 -0.000 0.000 0.264 276 V C 0.704 176.979 176.094 0.302 0.000 1.049 276 V CA 0.542 62.931 62.300 0.150 0.000 0.896 276 V CB 1.088 32.961 31.823 0.083 0.000 1.025 276 V HN 0.445 nan 8.190 nan 0.000 0.475 277 T N 3.343 118.073 114.554 0.293 0.000 2.912 277 T HA 0.373 4.723 4.350 -0.000 0.000 0.288 277 T C 0.622 175.445 174.700 0.205 0.000 1.030 277 T CA -0.345 61.929 62.100 0.290 0.000 1.020 277 T CB 1.143 70.092 68.868 0.135 0.000 1.056 277 T HN 0.524 nan 8.240 nan 0.000 0.480 278 Y N 4.062 124.149 120.300 -0.356 0.000 2.081 278 Y HA -0.164 4.386 4.550 -0.000 0.000 0.280 278 Y C 2.704 178.488 175.900 -0.193 0.000 1.163 278 Y CA 2.516 60.224 58.100 -0.655 0.000 1.135 278 Y CB -0.184 37.814 38.460 -0.770 0.000 0.970 278 Y HN 0.748 nan 8.280 nan 0.000 0.498 279 R N -0.229 120.224 120.500 -0.079 0.000 2.133 279 R HA -0.235 4.105 4.340 -0.000 0.000 0.247 279 R C 2.191 178.432 176.300 -0.098 0.000 1.151 279 R CA 1.981 58.024 56.100 -0.095 0.000 0.971 279 R CB -0.649 29.649 30.300 -0.005 0.000 0.866 279 R HN 0.494 nan 8.270 nan 0.000 0.447 280 L N 0.437 121.643 121.223 -0.028 0.000 2.109 280 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 280 L C 1.845 178.712 176.870 -0.004 0.000 1.086 280 L CA 1.940 56.784 54.840 0.006 0.000 0.760 280 L CB -0.496 41.598 42.059 0.058 0.000 0.910 280 L HN 0.111 nan 8.230 nan 0.000 0.437 281 T N -0.650 113.902 114.554 -0.003 0.000 2.759 281 T HA -0.214 4.136 4.350 -0.000 0.000 0.269 281 T C 1.807 176.449 174.700 -0.095 0.000 1.042 281 T CA 1.741 63.850 62.100 0.015 0.000 1.140 281 T CB -0.191 68.742 68.868 0.107 0.000 0.864 281 T HN 0.490 nan 8.240 nan 0.000 0.455 282 Q N 0.292 119.954 119.800 -0.230 0.000 2.046 282 Q HA -0.009 4.330 4.340 -0.000 0.000 0.200 282 Q C 2.823 178.756 176.000 -0.112 0.000 0.975 282 Q CA 1.296 56.971 55.803 -0.213 0.000 0.836 282 Q CB -0.569 28.000 28.738 -0.282 0.000 0.896 282 Q HN 0.602 nan 8.270 nan 0.000 0.428 283 G N 0.809 109.559 108.800 -0.084 0.000 2.553 283 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 283 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 283 G C 1.534 176.412 174.900 -0.035 0.000 1.195 283 G CA 1.466 46.538 45.100 -0.046 0.000 0.779 283 G HN 0.240 nan 8.290 nan 0.000 0.577 284 V N 0.401 120.308 119.914 -0.013 0.000 2.255 284 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 284 V C 3.039 179.114 176.094 -0.032 0.000 1.051 284 V CA 1.738 64.037 62.300 -0.002 0.000 1.018 284 V CB -0.796 31.059 31.823 0.053 0.000 0.641 284 V HN 0.253 nan 8.190 nan 0.000 0.445 285 V N -0.307 119.587 119.914 -0.034 0.000 2.261 285 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 285 V C 2.248 178.299 176.094 -0.073 0.000 1.047 285 V CA 2.082 64.350 62.300 -0.053 0.000 1.015 285 V CB -0.635 31.157 31.823 -0.052 0.000 0.642 285 V HN 0.513 nan 8.190 nan 0.000 0.446 286 K N -0.702 119.654 120.400 -0.073 0.000 2.444 286 K HA 0.121 4.441 4.320 -0.000 0.000 0.193 286 K C 0.098 176.657 176.600 -0.067 0.000 1.024 286 K CA -0.200 56.043 56.287 -0.073 0.000 1.077 286 K CB 0.210 32.667 32.500 -0.072 0.000 0.833 286 K HN 0.162 nan 8.250 nan 0.000 0.517 287 R N 1.149 121.610 120.500 -0.066 0.000 3.205 287 R HA -0.175 4.164 4.340 -0.000 0.000 0.249 287 R C -0.453 175.815 176.300 -0.052 0.000 0.937 287 R CA 0.610 56.672 56.100 -0.064 0.000 0.641 287 R CB -2.621 27.635 30.300 -0.073 0.000 1.114 287 R HN 0.326 nan 8.270 nan 0.000 0.451 288 I N 1.124 121.666 120.570 -0.047 0.000 2.696 288 I HA 0.165 4.335 4.170 -0.000 0.000 0.284 288 I C 1.318 177.415 176.117 -0.032 0.000 1.129 288 I CA 0.003 61.277 61.300 -0.042 0.000 1.410 288 I CB 0.556 38.530 38.000 -0.044 0.000 1.399 288 I HN 0.062 nan 8.210 nan 0.000 0.579 289 I N 6.022 126.572 120.570 -0.033 0.000 2.382 289 I HA 0.311 4.480 4.170 -0.000 0.000 0.286 289 I C -2.194 173.900 176.117 -0.037 0.000 1.002 289 I CA -1.931 59.353 61.300 -0.027 0.000 1.135 289 I CB 1.202 39.187 38.000 -0.024 0.000 1.288 289 I HN 0.321 nan 8.210 nan 0.000 0.448 290 P HA 0.274 nan 4.420 nan 0.000 0.264 290 P C -0.725 176.519 177.300 -0.094 0.000 1.183 290 P CA 0.018 63.085 63.100 -0.055 0.000 0.763 290 P CB 0.689 32.365 31.700 -0.041 0.000 0.807 291 A N 1.919 124.671 122.820 -0.114 0.000 2.612 291 A HA 0.738 5.058 4.320 -0.000 0.000 0.293 291 A C -0.884 176.607 177.584 -0.155 0.000 1.075 291 A CA -0.438 51.510 52.037 -0.147 0.000 0.680 291 A CB 1.447 20.387 19.000 -0.100 0.000 1.279 291 A HN 0.490 nan 8.150 nan 0.000 0.411 292 V N -2.325 117.478 119.914 -0.184 0.000 3.188 292 V HA 0.864 4.984 4.120 -0.000 0.000 0.305 292 V C 0.964 176.999 176.094 -0.098 0.000 1.232 292 V CA 0.000 62.218 62.300 -0.137 0.000 1.043 292 V CB 0.899 32.618 31.823 -0.173 0.000 1.068 292 V HN 2.248 nan 8.190 nan 0.000 0.439 293 A N 1.225 124.015 122.820 -0.051 0.000 1.849 293 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 293 A C 2.249 179.811 177.584 -0.037 0.000 1.202 293 A CA 3.206 55.224 52.037 -0.031 0.000 0.629 293 A CB -1.488 17.506 19.000 -0.010 0.000 0.834 293 A HN 1.597 nan 8.150 nan 0.000 0.447 294 S N -0.397 115.299 115.700 -0.008 0.000 2.411 294 S HA -0.356 4.114 4.470 -0.000 0.000 0.293 294 S C 1.916 176.510 174.600 -0.010 0.000 1.146 294 S CA 2.490 60.710 58.200 0.033 0.000 1.337 294 S CB -1.647 61.639 63.200 0.142 0.000 1.258 294 S HN 0.716 nan 8.310 nan 0.000 0.453 295 T N 3.248 117.799 114.554 -0.006 0.000 2.580 295 T HA -0.163 4.187 4.350 -0.000 0.000 0.265 295 T C 1.807 176.414 174.700 -0.155 0.000 1.063 295 T CA 1.576 63.637 62.100 -0.065 0.000 1.170 295 T CB -0.818 68.035 68.868 -0.025 0.000 0.863 295 T HN 0.333 nan 8.240 nan 0.000 0.418 296 N N 1.495 120.127 118.700 -0.113 0.000 2.060 296 N HA -0.171 4.569 4.740 -0.000 0.000 0.195 296 N C 2.150 177.583 175.510 -0.127 0.000 1.028 296 N CA 1.606 54.588 53.050 -0.113 0.000 0.861 296 N CB -0.807 37.630 38.487 -0.084 0.000 1.029 296 N HN 0.463 nan 8.380 nan 0.000 0.428 297 A N 1.145 123.900 122.820 -0.108 0.000 1.884 297 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 297 A C 2.597 180.081 177.584 -0.166 0.000 1.197 297 A CA 2.206 54.177 52.037 -0.111 0.000 0.637 297 A CB -1.103 17.839 19.000 -0.097 0.000 0.827 297 A HN 0.126 nan 8.150 nan 0.000 0.450 298 V N 0.543 120.310 119.914 -0.246 0.000 2.214 298 V HA -0.309 3.811 4.120 -0.000 0.000 0.247 298 V C 2.468 178.361 176.094 -0.335 0.000 1.051 298 V CA 2.059 64.137 62.300 -0.370 0.000 1.003 298 V CB -0.809 30.548 31.823 -0.776 0.000 0.635 298 V HN 0.546 nan 8.190 nan 0.000 0.447 299 I N 0.538 120.894 120.570 -0.356 0.000 2.087 299 I HA -0.337 3.833 4.170 -0.000 0.000 0.240 299 I C 2.767 178.773 176.117 -0.186 0.000 1.054 299 I CA 2.380 63.529 61.300 -0.253 0.000 1.311 299 I CB -1.785 36.094 38.000 -0.201 0.000 1.024 299 I HN 0.382 nan 8.210 nan 0.000 0.402 300 A N 0.844 123.568 122.820 -0.159 0.000 1.892 300 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 300 A C 2.521 180.029 177.584 -0.127 0.000 1.188 300 A CA 2.656 54.616 52.037 -0.129 0.000 0.631 300 A CB -1.018 17.920 19.000 -0.104 0.000 0.822 300 A HN 0.494 nan 8.150 nan 0.000 0.447 301 A N -1.019 121.721 122.820 -0.134 0.000 2.076 301 A HA 0.068 4.388 4.320 -0.000 0.000 0.220 301 A C 2.184 179.693 177.584 -0.125 0.000 1.160 301 A CA 1.775 53.737 52.037 -0.125 0.000 0.653 301 A CB -0.651 18.271 19.000 -0.129 0.000 0.801 301 A HN 0.379 nan 8.150 nan 0.000 0.455 302 V N -0.971 118.859 119.914 -0.140 0.000 2.256 302 V HA -0.252 3.868 4.120 -0.000 0.000 0.240 302 V C 2.623 178.648 176.094 -0.114 0.000 1.036 302 V CA 1.851 64.074 62.300 -0.129 0.000 1.008 302 V CB -1.072 30.663 31.823 -0.147 0.000 0.648 302 V HN 0.706 nan 8.190 nan 0.000 0.453 303 C N 0.759 119.984 119.300 -0.125 0.000 2.391 303 C HA -0.213 4.247 4.460 -0.000 0.000 0.276 303 C C 3.048 177.979 174.990 -0.098 0.000 1.217 303 C CA 0.762 59.711 59.018 -0.115 0.000 1.766 303 C CB -1.641 26.024 27.740 -0.124 0.000 2.046 303 C HN 0.641 nan 8.230 nan 0.000 0.475 304 A N 0.935 123.692 122.820 -0.104 0.000 1.852 304 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 304 A C 2.193 179.754 177.584 -0.037 0.000 1.215 304 A CA 3.124 55.102 52.037 -0.098 0.000 0.641 304 A CB -1.570 17.372 19.000 -0.097 0.000 0.838 304 A HN 0.561 nan 8.150 nan 0.000 0.450 305 T N -0.495 114.037 114.554 -0.037 0.000 2.624 305 T HA -0.221 4.129 4.350 -0.000 0.000 0.268 305 T C 1.871 176.626 174.700 0.091 0.000 1.041 305 T CA 1.978 64.087 62.100 0.015 0.000 1.159 305 T CB -0.442 68.392 68.868 -0.058 0.000 0.863 305 T HN 0.528 nan 8.240 nan 0.000 0.434 306 E N 0.427 120.636 120.200 0.016 0.000 2.086 306 E HA -0.121 4.229 4.350 -0.000 0.000 0.200 306 E C 2.272 178.899 176.600 0.045 0.000 1.012 306 E CA 0.862 57.271 56.400 0.015 0.000 0.812 306 E CB -0.864 28.812 29.700 -0.039 0.000 0.743 306 E HN 0.294 nan 8.360 nan 0.000 0.453 307 V N 0.451 120.379 119.914 0.023 0.000 2.231 307 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 307 V C 2.130 178.334 176.094 0.183 0.000 1.054 307 V CA 2.112 64.429 62.300 0.029 0.000 1.015 307 V CB -0.666 31.085 31.823 -0.120 0.000 0.638 307 V HN 0.321 nan 8.190 nan 0.000 0.444 308 F N 0.862 120.896 119.950 0.140 0.000 2.154 308 F HA -0.232 4.295 4.527 -0.000 0.000 0.301 308 F C 2.302 178.212 175.800 0.184 0.000 1.087 308 F CA 1.967 60.148 58.000 0.302 0.000 1.274 308 F CB -0.238 38.893 39.000 0.217 0.000 1.009 308 F HN 0.056 nan 8.300 nan 0.000 0.485 309 K N 0.441 120.936 120.400 0.159 0.000 1.973 309 K HA -0.139 4.181 4.320 -0.000 0.000 0.210 309 K C 2.138 178.713 176.600 -0.042 0.000 1.045 309 K CA 1.996 58.323 56.287 0.067 0.000 0.937 309 K CB -0.480 32.098 32.500 0.129 0.000 0.721 309 K HN 0.281 nan 8.250 nan 0.000 0.438 310 I N 1.298 121.861 120.570 -0.012 0.000 2.113 310 I HA -0.365 3.805 4.170 -0.000 0.000 0.242 310 I C 2.558 178.650 176.117 -0.042 0.000 1.064 310 I CA 1.560 62.837 61.300 -0.038 0.000 1.320 310 I CB -0.511 37.485 38.000 -0.006 0.000 1.028 310 I HN 0.242 nan 8.210 nan 0.000 0.406 311 A N 0.473 123.295 122.820 0.003 0.000 1.902 311 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 311 A C 2.375 179.877 177.584 -0.137 0.000 1.181 311 A CA 2.513 54.547 52.037 -0.005 0.000 0.623 311 A CB -0.987 18.117 19.000 0.174 0.000 0.818 311 A HN 0.567 nan 8.150 nan 0.000 0.443 312 T N -5.266 109.119 114.554 -0.282 0.000 3.051 312 T HA 0.180 4.530 4.350 -0.000 0.000 0.255 312 T C 0.756 175.422 174.700 -0.057 0.000 1.085 312 T CA 0.997 62.934 62.100 -0.272 0.000 1.109 312 T CB -0.163 68.356 68.868 -0.583 0.000 0.921 312 T HN 0.700 nan 8.240 nan 0.000 0.488 313 S N 0.434 116.102 115.700 -0.054 0.000 3.748 313 S HA -0.153 4.317 4.470 -0.000 0.000 0.329 313 S C 1.016 175.728 174.600 0.188 0.000 1.104 313 S CA 0.382 58.616 58.200 0.056 0.000 0.954 313 S CB -1.915 61.373 63.200 0.147 0.000 0.910 313 S HN 1.081 nan 8.310 nan 0.000 0.494 314 A N -1.084 121.760 122.820 0.040 0.000 2.275 314 A HA 0.571 4.891 4.320 -0.000 0.000 0.212 314 A C 0.293 177.570 177.584 -0.512 0.000 1.201 314 A CA 0.729 52.629 52.037 -0.228 0.000 0.843 314 A CB 0.195 19.223 19.000 0.046 0.000 0.873 314 A HN 0.658 nan 8.150 nan 0.000 0.492 315 Y N -2.430 117.898 120.300 0.047 0.000 2.713 315 Y HA 0.425 4.975 4.550 -0.000 0.000 0.335 315 Y C -0.934 175.013 175.900 0.077 0.000 1.222 315 Y CA -1.427 56.723 58.100 0.083 0.000 1.061 315 Y CB 0.904 39.417 38.460 0.089 0.000 1.314 315 Y HN 0.009 nan 8.280 nan 0.000 0.453 316 I N 2.132 122.882 120.570 0.300 0.000 2.396 316 I HA 0.347 4.517 4.170 -0.000 0.000 0.289 316 I C -2.529 173.649 176.117 0.102 0.000 1.056 316 I CA -2.046 59.361 61.300 0.179 0.000 1.365 316 I CB -0.339 37.783 38.000 0.203 0.000 1.407 316 I HN 0.167 nan 8.210 nan 0.000 0.509 317 P HA 0.045 nan 4.420 nan 0.000 0.264 317 P C -0.009 177.294 177.300 0.004 0.000 1.183 317 P CA -0.379 62.722 63.100 0.002 0.000 0.763 317 P CB 0.448 32.126 31.700 -0.037 0.000 0.807 318 L N 3.135 124.348 121.223 -0.017 0.000 2.536 318 L HA -0.022 4.318 4.340 -0.000 0.000 0.294 318 L C 0.591 177.437 176.870 -0.039 0.000 1.257 318 L CA 0.426 55.243 54.840 -0.038 0.000 0.850 318 L CB 0.227 42.240 42.059 -0.076 0.000 1.105 318 L HN 0.297 nan 8.230 nan 0.000 0.517 319 N N 3.037 121.710 118.700 -0.044 0.000 2.868 319 N HA 0.051 4.791 4.740 -0.000 0.000 0.252 319 N C 0.039 175.508 175.510 -0.069 0.000 1.130 319 N CA 0.553 53.583 53.050 -0.034 0.000 1.026 319 N CB -0.503 37.980 38.487 -0.007 0.000 1.335 319 N HN 0.765 nan 8.380 nan 0.000 0.516 320 N N 0.376 119.037 118.700 -0.065 0.000 2.628 320 N HA -0.297 4.443 4.740 -0.000 0.000 0.247 320 N C -0.985 174.470 175.510 -0.092 0.000 1.157 320 N CA 1.286 54.297 53.050 -0.065 0.000 0.729 320 N CB -1.769 36.719 38.487 0.001 0.000 1.083 320 N HN 0.524 nan 8.380 nan 0.000 0.554 321 Y N -2.196 117.874 120.300 -0.382 0.000 2.643 321 Y HA 0.496 5.046 4.550 -0.000 0.000 0.347 321 Y C -1.822 173.760 175.900 -0.529 0.000 1.208 321 Y CA -1.244 56.513 58.100 -0.571 0.000 1.245 321 Y CB 0.867 38.639 38.460 -1.147 0.000 1.369 321 Y HN 0.343 nan 8.280 nan 0.000 0.487 322 L N 4.156 125.161 121.223 -0.363 0.000 2.666 322 L HA 0.784 5.124 4.340 -0.000 0.000 0.259 322 L C -2.227 174.600 176.870 -0.071 0.000 0.919 322 L CA -0.666 54.068 54.840 -0.177 0.000 0.927 322 L CB 1.598 43.547 42.059 -0.184 0.000 1.423 322 L HN 0.300 nan 8.230 nan 0.000 0.426 323 V N 4.252 124.200 119.914 0.056 0.000 2.628 323 V HA 0.637 4.757 4.120 -0.000 0.000 0.306 323 V C -0.747 175.387 176.094 0.066 0.000 1.045 323 V CA -0.491 61.874 62.300 0.108 0.000 0.905 323 V CB 1.697 33.629 31.823 0.182 0.000 0.997 323 V HN 0.729 nan 8.190 nan 0.000 0.436 324 F N 3.166 123.085 119.950 -0.052 0.000 2.563 324 F HA 0.660 5.187 4.527 -0.000 0.000 0.316 324 F C -0.368 175.451 175.800 0.032 0.000 1.076 324 F CA -0.415 57.560 58.000 -0.042 0.000 0.921 324 F CB 1.928 40.915 39.000 -0.022 0.000 1.209 324 F HN 0.573 nan 8.300 nan 0.000 0.462 325 N N 4.074 122.344 118.700 -0.718 0.000 2.542 325 N HA 0.147 4.887 4.740 -0.000 0.000 0.288 325 N C -0.873 174.357 175.510 -0.467 0.000 1.115 325 N CA -0.444 52.405 53.050 -0.335 0.000 0.924 325 N CB 1.271 39.753 38.487 -0.009 0.000 1.526 325 N HN 0.656 nan 8.380 nan 0.000 0.515 326 D N 1.875 122.152 120.400 -0.205 0.000 2.327 326 D HA -0.030 4.610 4.640 -0.000 0.000 0.205 326 D C 2.142 178.295 176.300 -0.244 0.000 0.989 326 D CA 0.798 54.706 54.000 -0.153 0.000 0.873 326 D CB 0.546 41.429 40.800 0.137 0.000 0.955 326 D HN 0.450 nan 8.370 nan 0.000 0.515 327 V N -0.341 119.448 119.914 -0.207 0.000 2.278 327 V HA -0.165 3.955 4.120 -0.000 0.000 0.251 327 V C 0.996 176.986 176.094 -0.173 0.000 1.062 327 V CA 1.526 63.686 62.300 -0.234 0.000 1.038 327 V CB -0.372 31.397 31.823 -0.090 0.000 0.646 327 V HN -0.017 nan 8.190 nan 0.000 0.447 328 D N 0.410 120.739 120.400 -0.118 0.000 2.438 328 D HA 0.476 5.116 4.640 -0.000 0.000 0.257 328 D C 0.632 176.875 176.300 -0.095 0.000 1.148 328 D CA 1.015 54.955 54.000 -0.100 0.000 0.902 328 D CB 0.669 41.419 40.800 -0.085 0.000 1.062 328 D HN 0.655 nan 8.370 nan 0.000 0.518 329 G N 2.521 111.264 108.800 -0.094 0.000 2.601 329 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.261 329 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.261 329 G C -0.553 174.296 174.900 -0.084 0.000 1.289 329 G CA -0.254 44.803 45.100 -0.072 0.000 0.920 329 G HN 0.530 nan 8.290 nan 0.000 0.571 330 L N -0.218 120.972 121.223 -0.055 0.000 2.322 330 L HA 0.695 5.035 4.340 -0.000 0.000 0.281 330 L C -0.574 176.294 176.870 -0.003 0.000 1.014 330 L CA -0.934 53.851 54.840 -0.093 0.000 0.815 330 L CB 1.914 43.963 42.059 -0.017 0.000 1.247 330 L HN 0.717 nan 8.230 nan 0.000 0.421 331 Y N 2.316 122.452 120.300 -0.274 0.000 2.470 331 Y HA 0.563 5.113 4.550 -0.000 0.000 0.341 331 Y C -0.828 175.004 175.900 -0.114 0.000 1.021 331 Y CA -1.288 56.726 58.100 -0.144 0.000 1.025 331 Y CB 2.230 40.622 38.460 -0.114 0.000 1.266 331 Y HN 0.541 nan 8.280 nan 0.000 0.448 332 T N 3.545 117.924 114.554 -0.292 0.000 3.176 332 T HA 0.248 4.598 4.350 -0.000 0.000 0.337 332 T C -1.621 172.966 174.700 -0.189 0.000 0.957 332 T CA -0.524 61.407 62.100 -0.283 0.000 1.092 332 T CB -0.165 68.717 68.868 0.023 0.000 1.018 332 T HN 0.560 nan 8.240 nan 0.000 0.473 333 Y N 3.162 123.169 120.300 -0.489 0.000 2.335 333 Y HA 0.547 5.097 4.550 -0.000 0.000 0.331 333 Y C -0.247 175.665 175.900 0.019 0.000 1.094 333 Y CA -0.413 57.614 58.100 -0.122 0.000 1.253 333 Y CB 0.984 39.429 38.460 -0.025 0.000 1.203 333 Y HN 0.732 nan 8.280 nan 0.000 0.508 334 T N 9.258 123.610 114.554 -0.337 0.000 2.833 334 T HA 0.477 4.827 4.350 -0.000 0.000 0.297 334 T C -1.097 173.286 174.700 -0.528 0.000 1.015 334 T CA -0.391 61.486 62.100 -0.372 0.000 0.963 334 T CB -0.188 68.593 68.868 -0.146 0.000 0.955 334 T HN 0.480 nan 8.240 nan 0.000 0.449 335 F N 0.019 119.623 119.950 -0.577 0.000 2.640 335 F HA 0.740 5.267 4.527 -0.000 0.000 0.324 335 F C -0.236 175.476 175.800 -0.147 0.000 1.077 335 F CA -1.658 56.088 58.000 -0.425 0.000 0.965 335 F CB 1.479 40.138 39.000 -0.569 0.000 1.351 335 F HN 0.373 nan 8.300 nan 0.000 0.487 336 E N 1.937 122.298 120.200 0.267 0.000 2.167 336 E HA 0.530 4.880 4.350 -0.000 0.000 0.247 336 E C -0.573 176.224 176.600 0.328 0.000 0.961 336 E CA -0.771 55.734 56.400 0.176 0.000 0.797 336 E CB 0.701 30.467 29.700 0.111 0.000 1.182 336 E HN 0.971 nan 8.360 nan 0.000 0.437 337 A N 4.390 127.435 122.820 0.375 0.000 2.531 337 A HA 0.008 4.328 4.320 -0.000 0.000 0.236 337 A C 0.322 178.005 177.584 0.165 0.000 1.062 337 A CA 0.108 52.369 52.037 0.373 0.000 0.760 337 A CB 0.314 19.504 19.000 0.317 0.000 0.995 337 A HN 0.645 nan 8.150 nan 0.000 0.501 338 E N 0.889 121.153 120.200 0.107 0.000 2.331 338 E HA 0.120 4.470 4.350 -0.000 0.000 0.272 338 E C 0.153 176.789 176.600 0.060 0.000 1.036 338 E CA -0.377 56.063 56.400 0.068 0.000 0.864 338 E CB 0.974 30.699 29.700 0.041 0.000 1.035 338 E HN 0.604 nan 8.360 nan 0.000 0.408 339 R N 3.316 123.848 120.500 0.053 0.000 2.248 339 R HA 0.055 4.395 4.340 -0.000 0.000 0.337 339 R C -0.227 176.097 176.300 0.040 0.000 1.085 339 R CA -0.317 55.812 56.100 0.048 0.000 0.934 339 R CB 0.157 30.484 30.300 0.046 0.000 1.034 339 R HN 0.256 nan 8.270 nan 0.000 0.465 340 K N 3.505 123.928 120.400 0.039 0.000 2.440 340 K HA -0.117 4.203 4.320 -0.000 0.000 0.275 340 K C 0.350 176.970 176.600 0.034 0.000 1.082 340 K CA 0.630 56.938 56.287 0.034 0.000 1.135 340 K CB 0.516 33.035 32.500 0.033 0.000 0.864 340 K HN 0.666 nan 8.250 nan 0.000 0.479 341 E N 1.667 121.887 120.200 0.032 0.000 2.515 341 E HA -0.167 4.183 4.350 -0.000 0.000 0.201 341 E C 0.457 177.077 176.600 0.034 0.000 1.071 341 E CA 0.737 57.156 56.400 0.031 0.000 0.880 341 E CB -0.161 29.555 29.700 0.026 0.000 0.828 341 E HN 0.608 nan 8.360 nan 0.000 0.540 342 N N -0.742 117.980 118.700 0.038 0.000 2.365 342 N HA 0.092 4.832 4.740 -0.000 0.000 0.257 342 N C -0.347 175.186 175.510 0.039 0.000 1.287 342 N CA -0.577 52.499 53.050 0.043 0.000 0.882 342 N CB 0.307 38.826 38.487 0.053 0.000 1.250 342 N HN -0.097 nan 8.380 nan 0.000 0.507 343 C N 2.322 121.643 119.300 0.034 0.000 2.517 343 C HA 0.083 4.543 4.460 -0.000 0.000 0.403 343 C C -0.618 174.386 174.990 0.022 0.000 1.467 343 C CA -0.886 58.149 59.018 0.027 0.000 1.542 343 C CB 0.282 28.040 27.740 0.030 0.000 2.482 343 C HN 0.446 nan 8.230 nan 0.000 0.610 344 P HA -0.118 nan 4.420 nan 0.000 0.220 344 P C 0.969 178.269 177.300 -0.000 0.000 1.144 344 P CA 2.290 65.391 63.100 0.003 0.000 0.800 344 P CB 0.197 31.884 31.700 -0.021 0.000 0.772 345 A N -0.829 121.991 122.820 -0.001 0.000 1.963 345 A HA -0.019 4.301 4.320 -0.000 0.000 0.211 345 A C 1.877 179.463 177.584 0.003 0.000 1.380 345 A CA 0.785 52.815 52.037 -0.011 0.000 0.690 345 A CB -1.021 17.964 19.000 -0.025 0.000 1.060 345 A HN 0.344 nan 8.150 nan 0.000 0.498 346 C N 1.852 121.161 119.300 0.015 0.000 2.460 346 C HA 0.418 4.877 4.460 -0.000 0.000 0.322 346 C C 1.115 176.142 174.990 0.062 0.000 1.333 346 C CA -0.452 58.587 59.018 0.034 0.000 1.631 346 C CB -2.705 25.055 27.740 0.033 0.000 1.672 346 C HN 0.453 nan 8.230 nan 0.000 0.596 347 S N 0.241 115.974 115.700 0.055 0.000 2.405 347 S HA 0.156 4.626 4.470 -0.000 0.000 0.291 347 S C 1.188 175.839 174.600 0.085 0.000 1.137 347 S CA -0.154 58.081 58.200 0.059 0.000 1.061 347 S CB 0.755 63.982 63.200 0.045 0.000 1.001 347 S HN 0.597 nan 8.310 nan 0.000 0.507 348 Q N 2.683 122.536 119.800 0.089 0.000 2.103 348 Q HA -0.178 4.162 4.340 -0.000 0.000 0.213 348 Q C 0.505 176.546 176.000 0.068 0.000 1.008 348 Q CA 1.760 57.616 55.803 0.088 0.000 0.879 348 Q CB -0.314 28.363 28.738 -0.101 0.000 0.946 348 Q HN 0.839 nan 8.270 nan 0.000 0.413 349 L N -0.158 121.082 121.223 0.027 0.000 2.440 349 L HA 0.330 4.670 4.340 -0.000 0.000 0.262 349 L C -1.938 174.955 176.870 0.038 0.000 1.072 349 L CA -2.199 52.657 54.840 0.026 0.000 0.798 349 L CB 0.197 42.260 42.059 0.007 0.000 1.307 349 L HN 0.014 nan 8.230 nan 0.000 0.475 350 P HA -0.016 nan 4.420 nan 0.000 0.274 350 P C -1.066 176.260 177.300 0.044 0.000 1.264 350 P CA -0.325 62.797 63.100 0.038 0.000 0.795 350 P CB 0.325 32.045 31.700 0.035 0.000 1.064 351 Q N 1.062 120.893 119.800 0.053 0.000 2.835 351 Q HA 0.121 4.461 4.340 -0.000 0.000 0.235 351 Q C -0.499 175.550 176.000 0.081 0.000 1.313 351 Q CA -0.101 55.743 55.803 0.069 0.000 1.053 351 Q CB -1.669 27.117 28.738 0.080 0.000 1.443 351 Q HN 0.166 nan 8.270 nan 0.000 0.576 352 N N 3.700 122.439 118.700 0.065 0.000 2.416 352 N HA 0.002 4.742 4.740 -0.000 0.000 0.291 352 N C -1.185 174.373 175.510 0.081 0.000 1.257 352 N CA 0.422 53.508 53.050 0.059 0.000 1.043 352 N CB 0.000 38.511 38.487 0.039 0.000 1.441 352 N HN 0.415 nan 8.380 nan 0.000 0.490 353 I N 2.518 123.155 120.570 0.110 0.000 2.560 353 I HA 0.094 4.264 4.170 -0.000 0.000 0.283 353 I C -0.538 175.682 176.117 0.172 0.000 1.115 353 I CA -0.402 61.000 61.300 0.170 0.000 1.066 353 I CB 1.560 39.721 38.000 0.268 0.000 1.221 353 I HN 0.399 nan 8.210 nan 0.000 0.450 354 Q N 5.059 124.881 119.800 0.036 0.000 2.314 354 Q HA 0.338 4.678 4.340 -0.000 0.000 0.257 354 Q C -0.972 174.871 176.000 -0.263 0.000 0.975 354 Q CA -0.169 55.600 55.803 -0.056 0.000 0.933 354 Q CB 1.306 29.971 28.738 -0.121 0.000 1.195 354 Q HN 0.334 nan 8.270 nan 0.000 0.426 355 F N 2.570 122.415 119.950 -0.176 0.000 2.387 355 F HA 0.179 4.706 4.527 -0.000 0.000 0.332 355 F C -0.105 175.615 175.800 -0.134 0.000 1.174 355 F CA 0.028 57.889 58.000 -0.232 0.000 1.257 355 F CB 0.122 38.830 39.000 -0.487 0.000 1.569 355 F HN 0.596 nan 8.300 nan 0.000 0.554 356 S N 1.365 116.922 115.700 -0.239 0.000 3.371 356 S HA 0.103 4.572 4.470 -0.000 0.000 0.645 356 S C -3.453 171.092 174.600 -0.091 0.000 0.757 356 S CA -1.375 56.742 58.200 -0.137 0.000 1.253 356 S CB -0.458 62.709 63.200 -0.056 0.000 1.047 356 S HN 0.240 nan 8.310 nan 0.000 0.350 357 P HA 0.589 nan 4.420 nan 0.000 0.172 357 P C 0.048 177.329 177.300 -0.031 0.000 1.796 357 P CA 0.359 63.431 63.100 -0.047 0.000 1.494 357 P CB 0.640 32.305 31.700 -0.059 0.000 1.425 358 S N 1.352 117.042 115.700 -0.018 0.000 1.235 358 S HA -0.091 4.378 4.470 -0.000 0.000 0.253 358 S C 0.521 175.120 174.600 -0.002 0.000 0.613 358 S CA 0.214 58.408 58.200 -0.009 0.000 0.987 358 S CB -2.127 61.065 63.200 -0.012 0.000 0.951 358 S HN 0.649 nan 8.310 nan 0.000 0.486 359 A N 3.966 126.784 122.820 -0.005 0.000 2.450 359 A HA 0.599 4.919 4.320 -0.000 0.000 0.255 359 A C 0.670 178.264 177.584 0.017 0.000 1.096 359 A CA 0.138 52.179 52.037 0.007 0.000 0.778 359 A CB 0.187 19.189 19.000 0.004 0.000 1.031 359 A HN 0.664 nan 8.150 nan 0.000 0.494 360 K N 1.282 121.699 120.400 0.028 0.000 2.863 360 K HA 0.268 4.588 4.320 -0.000 0.000 0.315 360 K C 0.354 176.985 176.600 0.052 0.000 1.051 360 K CA -0.073 56.237 56.287 0.038 0.000 1.028 360 K CB -0.026 32.499 32.500 0.041 0.000 1.129 360 K HN 0.592 nan 8.250 nan 0.000 0.459 361 L N 0.600 121.860 121.223 0.062 0.000 2.728 361 L HA 0.119 4.459 4.340 -0.000 0.000 0.238 361 L C 1.489 178.418 176.870 0.099 0.000 1.143 361 L CA 0.086 54.973 54.840 0.077 0.000 0.937 361 L CB -0.111 41.993 42.059 0.075 0.000 1.225 361 L HN 0.462 nan 8.230 nan 0.000 0.507 362 Q N 0.419 120.277 119.800 0.096 0.000 2.398 362 Q HA -0.032 4.308 4.340 -0.000 0.000 0.204 362 Q C 0.796 176.858 176.000 0.103 0.000 0.932 362 Q CA 0.553 56.421 55.803 0.109 0.000 0.916 362 Q CB 0.098 28.888 28.738 0.087 0.000 1.024 362 Q HN 0.470 nan 8.270 nan 0.000 0.504 363 E N 0.498 120.756 120.200 0.097 0.000 2.437 363 E HA -0.011 4.339 4.350 -0.000 0.000 0.189 363 E C 0.901 177.580 176.600 0.133 0.000 1.054 363 E CA 0.199 56.663 56.400 0.107 0.000 0.874 363 E CB 0.619 30.372 29.700 0.088 0.000 1.011 363 E HN 0.221 nan 8.360 nan 0.000 0.474 364 V N -2.012 117.981 119.914 0.131 0.000 3.539 364 V HA 0.119 4.239 4.120 -0.000 0.000 0.262 364 V C 1.598 177.775 176.094 0.138 0.000 1.381 364 V CA -0.163 62.232 62.300 0.159 0.000 1.060 364 V CB 0.047 31.939 31.823 0.115 0.000 0.842 364 V HN 0.129 nan 8.190 nan 0.000 0.445 365 L N 0.896 122.176 121.223 0.096 0.000 2.084 365 L HA 0.154 4.494 4.340 -0.000 0.000 0.202 365 L C 2.152 179.059 176.870 0.060 0.000 1.074 365 L CA 1.999 56.868 54.840 0.049 0.000 0.757 365 L CB -0.536 41.557 42.059 0.058 0.000 0.918 365 L HN 0.178 nan 8.230 nan 0.000 0.444 366 D N -1.354 119.099 120.400 0.089 0.000 2.265 366 D HA -0.253 4.387 4.640 -0.000 0.000 0.208 366 D C 1.804 178.157 176.300 0.088 0.000 0.977 366 D CA 1.313 55.359 54.000 0.078 0.000 0.871 366 D CB -0.003 40.849 40.800 0.087 0.000 0.925 366 D HN 0.440 nan 8.370 nan 0.000 0.485 367 Y N 1.621 121.906 120.300 -0.024 0.000 2.130 367 Y HA -0.092 4.458 4.550 -0.000 0.000 0.287 367 Y C 2.239 178.085 175.900 -0.089 0.000 1.124 367 Y CA 1.058 59.108 58.100 -0.082 0.000 1.118 367 Y CB -0.639 37.754 38.460 -0.112 0.000 0.994 367 Y HN -0.152 nan 8.280 nan 0.000 0.497 368 L N -0.592 120.496 121.223 -0.224 0.000 2.042 368 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 368 L C 2.259 178.997 176.870 -0.219 0.000 1.076 368 L CA 2.023 56.677 54.840 -0.311 0.000 0.749 368 L CB -1.043 40.940 42.059 -0.127 0.000 0.893 368 L HN 0.229 nan 8.230 nan 0.000 0.432 369 T N -0.754 113.730 114.554 -0.115 0.000 2.904 369 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 369 T C 1.606 176.260 174.700 -0.077 0.000 1.059 369 T CA 1.147 63.202 62.100 -0.074 0.000 1.137 369 T CB -0.066 68.787 68.868 -0.025 0.000 0.879 369 T HN 0.330 nan 8.240 nan 0.000 0.467 370 N N 0.398 119.048 118.700 -0.083 0.000 2.463 370 N HA 0.099 4.839 4.740 -0.000 0.000 0.183 370 N C 0.723 176.177 175.510 -0.093 0.000 1.064 370 N CA 0.090 53.104 53.050 -0.060 0.000 0.879 370 N CB -0.067 38.413 38.487 -0.013 0.000 1.148 370 N HN 0.162 nan 8.380 nan 0.000 0.451 371 S N 1.405 116.996 115.700 -0.180 0.000 2.811 371 S HA 0.038 4.508 4.470 -0.000 0.000 0.325 371 S C 1.299 175.805 174.600 -0.157 0.000 1.224 371 S CA -0.169 57.905 58.200 -0.210 0.000 1.125 371 S CB 0.106 62.979 63.200 -0.545 0.000 0.867 371 S HN 0.356 nan 8.310 nan 0.000 0.512 372 A N 4.224 126.999 122.820 -0.075 0.000 2.309 372 A HA -0.045 4.275 4.320 -0.000 0.000 0.210 372 A C 1.918 179.475 177.584 -0.045 0.000 1.216 372 A CA 1.414 53.425 52.037 -0.042 0.000 0.731 372 A CB -0.618 18.377 19.000 -0.009 0.000 0.762 372 A HN 1.112 nan 8.150 nan 0.000 0.497 373 S N -2.071 113.576 115.700 -0.088 0.000 2.559 373 S HA 0.386 4.856 4.470 -0.000 0.000 0.226 373 S C 1.120 175.661 174.600 -0.099 0.000 1.000 373 S CA 0.257 58.415 58.200 -0.071 0.000 0.948 373 S CB -0.098 63.067 63.200 -0.058 0.000 0.870 373 S HN 0.434 nan 8.310 nan 0.000 0.497 374 L N -0.509 120.622 121.223 -0.154 0.000 2.678 374 L HA 0.348 4.688 4.340 -0.000 0.000 0.211 374 L C 0.890 177.692 176.870 -0.112 0.000 1.043 374 L CA -0.125 54.622 54.840 -0.155 0.000 0.881 374 L CB -0.774 41.124 42.059 -0.269 0.000 1.361 374 L HN 0.105 nan 8.230 nan 0.000 0.484 375 Q N 0.829 120.557 119.800 -0.121 0.000 2.397 375 Q HA -0.221 4.119 4.340 -0.000 0.000 0.253 375 Q C 0.090 176.050 176.000 -0.067 0.000 1.026 375 Q CA 0.692 56.448 55.803 -0.079 0.000 1.066 375 Q CB -1.479 27.232 28.738 -0.046 0.000 1.553 375 Q HN 0.521 nan 8.270 nan 0.000 0.538 376 M N 0.460 120.011 119.600 -0.082 0.000 2.247 376 M HA 0.016 4.496 4.480 -0.000 0.000 0.318 376 M C 0.491 176.765 176.300 -0.043 0.000 1.054 376 M CA 1.205 56.471 55.300 -0.058 0.000 1.117 376 M CB 0.221 32.781 32.600 -0.068 0.000 1.515 376 M HN 0.010 nan 8.290 nan 0.000 0.442 377 K N 1.035 121.419 120.400 -0.026 0.000 2.221 377 K HA 0.230 4.550 4.320 -0.000 0.000 0.258 377 K C -0.170 176.424 176.600 -0.010 0.000 0.944 377 K CA -0.324 55.953 56.287 -0.016 0.000 0.823 377 K CB 1.179 33.672 32.500 -0.012 0.000 1.113 377 K HN 0.815 nan 8.250 nan 0.000 0.431 378 S N 2.228 117.927 115.700 -0.002 0.000 3.298 378 S HA -0.120 4.350 4.470 -0.000 0.000 0.273 378 S C -2.387 172.206 174.600 -0.013 0.000 0.804 378 S CA -0.190 58.014 58.200 0.006 0.000 1.369 378 S CB -1.625 61.588 63.200 0.022 0.000 0.993 378 S HN 0.469 nan 8.310 nan 0.000 0.449 379 P HA 0.703 nan 4.420 nan 0.000 0.302 379 P C -0.281 176.959 177.300 -0.100 0.000 1.301 379 P CA -0.031 63.032 63.100 -0.061 0.000 0.745 379 P CB 0.366 32.022 31.700 -0.072 0.000 1.331 380 A N -0.339 122.414 122.820 -0.111 0.000 2.532 380 A HA 0.594 4.914 4.320 -0.000 0.000 0.296 380 A C -1.171 176.341 177.584 -0.120 0.000 1.058 380 A CA -0.419 51.531 52.037 -0.146 0.000 0.729 380 A CB 0.461 19.414 19.000 -0.077 0.000 1.285 380 A HN 0.309 nan 8.150 nan 0.000 0.396 381 I N 1.773 122.250 120.570 -0.155 0.000 2.412 381 I HA 0.546 4.716 4.170 -0.000 0.000 0.296 381 I C 0.104 176.191 176.117 -0.050 0.000 0.987 381 I CA -0.373 60.875 61.300 -0.087 0.000 1.180 381 I CB 2.250 40.199 38.000 -0.085 0.000 1.340 381 I HN 0.602 nan 8.210 nan 0.000 0.455 382 T N 4.180 118.721 114.554 -0.022 0.000 2.908 382 T HA 0.814 5.164 4.350 -0.000 0.000 0.290 382 T C -0.386 174.316 174.700 0.005 0.000 1.034 382 T CA -0.505 61.592 62.100 -0.005 0.000 1.010 382 T CB 2.161 71.028 68.868 -0.001 0.000 1.068 382 T HN 0.755 nan 8.240 nan 0.000 0.481 383 A N 1.359 124.186 122.820 0.011 0.000 2.552 383 A HA 0.954 5.274 4.320 -0.000 0.000 0.288 383 A C -0.448 177.145 177.584 0.015 0.000 1.193 383 A CA -0.707 51.339 52.037 0.015 0.000 0.713 383 A CB 1.469 20.480 19.000 0.019 0.000 1.305 383 A HN 0.713 nan 8.150 nan 0.000 0.424 390 R N 0.326 120.838 120.500 0.019 0.000 2.407 390 R HA 0.501 4.840 4.340 -0.000 0.000 0.303 390 R C -0.078 176.238 176.300 0.026 0.000 0.981 390 R CA -0.470 55.644 56.100 0.024 0.000 0.905 390 R CB 1.238 31.553 30.300 0.026 0.000 1.099 390 R HN 0.109 nan 8.270 nan 0.000 0.459 391 T N 3.833 118.406 114.554 0.032 0.000 2.737 391 T HA 0.194 4.544 4.350 -0.000 0.000 0.296 391 T C 0.093 174.827 174.700 0.057 0.000 0.922 391 T CA -0.323 61.798 62.100 0.036 0.000 1.079 391 T CB 0.315 69.208 68.868 0.042 0.000 0.892 391 T HN 0.215 nan 8.240 nan 0.000 0.514 392 L N 5.987 127.235 121.223 0.041 0.000 2.417 392 L HA 0.322 4.662 4.340 -0.000 0.000 0.258 392 L C -0.273 176.629 176.870 0.054 0.000 1.088 392 L CA -0.874 54.014 54.840 0.080 0.000 0.975 392 L CB -0.493 41.596 42.059 0.050 0.000 1.341 392 L HN 0.771 nan 8.230 nan 0.000 0.431 393 Y N 2.457 122.768 120.300 0.019 0.000 2.571 393 Y HA -0.204 4.346 4.550 -0.000 0.000 0.364 393 Y C -1.455 174.456 175.900 0.018 0.000 1.671 393 Y CA -0.080 58.031 58.100 0.018 0.000 1.409 393 Y CB -0.246 38.224 38.460 0.017 0.000 1.963 393 Y HN 0.475 nan 8.280 nan 0.000 0.291 394 L N 5.842 127.143 121.223 0.129 0.000 2.372 394 L HA 0.442 4.781 4.340 -0.000 0.000 0.274 394 L C 0.410 177.356 176.870 0.127 0.000 0.988 394 L CA -0.741 54.118 54.840 0.032 0.000 0.833 394 L CB 1.820 43.887 42.059 0.015 0.000 1.236 394 L HN 0.826 nan 8.230 nan 0.000 0.410 395 Q N 1.616 121.497 119.800 0.136 0.000 2.576 395 Q HA -0.032 4.308 4.340 -0.000 0.000 0.218 395 Q C 0.922 176.968 176.000 0.076 0.000 0.983 395 Q CA 0.792 56.677 55.803 0.137 0.000 0.920 395 Q CB -0.131 28.684 28.738 0.129 0.000 0.973 395 Q HN 0.777 nan 8.270 nan 0.000 0.528 601 T N -0.911 113.658 114.554 0.025 0.000 3.065 601 T HA 0.517 4.867 4.350 -0.000 0.000 0.252 601 T C 1.744 176.461 174.700 0.028 0.000 1.099 601 T CA 2.285 64.397 62.100 0.021 0.000 1.063 601 T CB -0.158 68.719 68.868 0.015 0.000 0.948 601 T HN 1.583 nan 8.240 nan 0.000 0.506 602 S N 0.143 115.865 115.700 0.037 0.000 2.562 602 S HA 0.522 4.992 4.470 -0.000 0.000 0.221 602 S C 2.107 176.750 174.600 0.071 0.000 0.975 602 S CA 0.971 59.199 58.200 0.046 0.000 0.918 602 S CB -0.731 62.495 63.200 0.044 0.000 0.772 602 S HN 0.751 nan 8.310 nan 0.000 0.531 603 I N 0.144 120.760 120.570 0.076 0.000 2.810 603 I HA 0.478 4.648 4.170 -0.000 0.000 0.262 603 I C 2.391 178.529 176.117 0.035 0.000 1.131 603 I CA 1.501 62.870 61.300 0.115 0.000 1.453 603 I CB -1.530 36.555 38.000 0.141 0.000 1.161 603 I HN 0.507 nan 8.210 nan 0.000 0.444 604 E N 1.326 121.535 120.200 0.014 0.000 2.160 604 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 604 E C 1.941 178.529 176.600 -0.019 0.000 0.991 604 E CA 1.855 58.245 56.400 -0.016 0.000 0.810 604 E CB -1.347 28.350 29.700 -0.005 0.000 0.742 604 E HN 1.169 nan 8.360 nan 0.000 0.466 605 E N -0.860 119.342 120.200 0.004 0.000 2.512 605 E HA 0.359 4.709 4.350 -0.000 0.000 0.195 605 E C 1.769 178.373 176.600 0.007 0.000 1.083 605 E CA 1.242 57.646 56.400 0.007 0.000 0.873 605 E CB -0.804 28.907 29.700 0.020 0.000 0.897 605 E HN 0.831 nan 8.360 nan 0.000 0.514 606 R N -1.808 118.684 120.500 -0.013 0.000 2.468 606 R HA 0.475 4.815 4.340 -0.000 0.000 0.352 606 R C 1.735 177.899 176.300 -0.227 0.000 0.858 606 R CA 0.794 56.878 56.100 -0.028 0.000 1.108 606 R CB -1.318 29.048 30.300 0.111 0.000 1.741 606 R HN 0.605 nan 8.270 nan 0.000 0.504 607 T N 0.603 115.005 114.554 -0.253 0.000 4.210 607 T HA 0.506 4.856 4.350 -0.000 0.000 0.247 607 T C 0.793 175.312 174.700 -0.303 0.000 0.883 607 T CA 1.232 63.092 62.100 -0.400 0.000 0.927 607 T CB -0.914 67.824 68.868 -0.216 0.000 1.271 607 T HN 1.252 nan 8.240 nan 0.000 0.692 701 E N 0.981 121.198 120.200 0.028 0.000 2.481 701 E HA 0.536 4.886 4.350 -0.000 0.000 0.198 701 E C 2.069 178.683 176.600 0.023 0.000 1.027 701 E CA 1.299 57.714 56.400 0.026 0.000 0.900 701 E CB -0.579 29.133 29.700 0.020 0.000 0.993 701 E HN 1.796 nan 8.360 nan 0.000 0.482 702 L N 0.250 121.487 121.223 0.024 0.000 1.943 702 L HA 0.274 4.614 4.340 -0.000 0.000 0.215 702 L C 2.919 179.803 176.870 0.024 0.000 1.074 702 L CA 2.583 57.437 54.840 0.022 0.000 0.759 702 L CB -1.451 40.622 42.059 0.022 0.000 0.888 702 L HN 0.493 nan 8.230 nan 0.000 0.433 703 G N -1.630 107.188 108.800 0.031 0.000 2.920 703 G HA2 0.330 4.290 3.960 -0.000 0.000 0.208 703 G HA3 0.330 4.290 3.960 -0.000 0.000 0.208 703 G C 1.459 176.378 174.900 0.032 0.000 1.159 703 G CA 1.163 46.283 45.100 0.032 0.000 0.784 703 G HN 1.311 nan 8.290 nan 0.000 0.535 704 L N -0.598 120.645 121.223 0.033 0.000 2.549 704 L HA 0.574 4.914 4.340 -0.000 0.000 0.229 704 L C 2.503 179.386 176.870 0.022 0.000 1.158 704 L CA 2.125 56.984 54.840 0.031 0.000 0.842 704 L CB -1.185 40.893 42.059 0.032 0.000 0.952 704 L HN 0.440 nan 8.230 nan 0.000 0.452 705 V N -2.032 117.894 119.914 0.020 0.000 3.350 705 V HA 0.332 4.452 4.120 -0.000 0.000 0.246 705 V C 1.199 177.302 176.094 0.014 0.000 1.363 705 V CA 1.295 63.604 62.300 0.014 0.000 1.162 705 V CB -0.877 30.953 31.823 0.011 0.000 0.947 705 V HN 0.565 nan 8.190 nan 0.000 0.454 801 Q N -1.447 118.360 119.800 0.011 0.000 1.254 801 Q HA 0.390 4.730 4.340 -0.000 0.000 0.302 801 Q C 0.880 176.882 176.000 0.004 0.000 0.983 801 Q CA 3.017 58.825 55.803 0.007 0.000 0.783 801 Q CB -1.934 26.808 28.738 0.008 0.000 3.906 801 Q HN 2.727 nan 8.270 nan 0.000 0.494 901 V N -1.803 118.126 119.914 0.024 0.000 6.318 901 V HA 0.519 4.639 4.120 -0.000 0.000 0.520 901 V C 0.832 176.940 176.094 0.023 0.000 1.430 901 V CA 0.593 62.908 62.300 0.025 0.000 2.519 901 V CB -2.228 29.607 31.823 0.021 0.000 0.153 901 V HN 2.723 nan 8.190 nan 0.000 0.689 902 A N -0.426 122.410 122.820 0.027 0.000 2.644 902 A HA 0.555 4.875 4.320 -0.000 0.000 0.230 902 A C 0.578 178.174 177.584 0.020 0.000 1.080 902 A CA 1.852 53.903 52.037 0.024 0.000 0.773 902 A CB 0.011 19.030 19.000 0.032 0.000 1.007 902 A HN 2.583 nan 8.150 nan 0.000 0.512 903 D N -1.179 119.227 120.400 0.010 0.000 2.970 903 D HA 0.702 5.342 4.640 -0.000 0.000 0.230 903 D C -0.633 175.663 176.300 -0.007 0.000 1.276 903 D CA 0.132 54.135 54.000 0.005 0.000 0.910 903 D CB 0.803 41.606 40.800 0.005 0.000 1.590 903 D HN 1.866 nan 8.370 nan 0.000 0.551 904 V N -1.194 118.715 119.914 -0.010 0.000 3.093 904 V HA 1.101 5.221 4.120 -0.000 0.000 0.320 904 V C 0.648 176.729 176.094 -0.022 0.000 1.093 904 V CA -0.038 62.248 62.300 -0.024 0.000 1.016 904 V CB 1.890 33.697 31.823 -0.028 0.000 1.096 904 V HN 1.638 nan 8.190 nan 0.000 0.452 905 T N 0.930 115.468 114.554 -0.026 0.000 4.111 905 T HA 0.810 5.159 4.350 -0.000 0.000 0.346 905 T C -0.274 174.419 174.700 -0.011 0.000 0.893 905 T CA 0.363 62.454 62.100 -0.016 0.000 1.011 905 T CB -0.126 68.738 68.868 -0.006 0.000 1.094 905 T HN 1.931 nan 8.240 nan 0.000 0.467 906 T N 2.166 116.716 114.554 -0.005 0.000 2.907 906 T HA 0.917 5.267 4.350 -0.000 0.000 0.284 906 T C -1.293 173.429 174.700 0.036 0.000 1.004 906 T CA -0.762 61.340 62.100 0.003 0.000 1.063 906 T CB -0.063 68.800 68.868 -0.007 0.000 0.992 906 T HN 0.642 nan 8.240 nan 0.000 0.483 907 P HA 0.451 nan 4.420 nan 0.000 0.247 907 P C 0.951 178.296 177.300 0.076 0.000 1.147 907 P CA 1.721 64.849 63.100 0.047 0.000 0.964 907 P CB -1.597 30.118 31.700 0.026 0.000 0.944 908 Q N 0.000 119.887 119.800 0.144 0.000 2.224 908 Q HA -0.378 3.962 4.340 -0.000 0.000 0.189 908 Q C 1.934 178.101 176.000 0.278 0.000 0.639 908 Q CA 3.466 59.427 55.803 0.262 0.000 1.436 908 Q CB -3.074 25.716 28.738 0.087 0.000 1.626 908 Q HN 1.118 nan 8.270 nan 0.000 0.768 909 T N -1.453 113.181 114.554 0.134 0.000 2.635 909 T HA 0.446 4.796 4.350 -0.000 0.000 0.267 909 T C 1.812 176.567 174.700 0.092 0.000 1.040 909 T CA 3.923 66.073 62.100 0.084 0.000 1.156 909 T CB -0.435 68.447 68.868 0.025 0.000 0.863 909 T HN 2.398 nan 8.240 nan 0.000 0.430 910 V N -1.010 118.929 119.914 0.041 0.000 3.007 910 V HA 0.778 4.897 4.120 -0.000 0.000 0.311 910 V C 1.614 177.584 176.094 -0.208 0.000 1.120 910 V CA -0.171 62.062 62.300 -0.112 0.000 0.980 910 V CB 1.376 33.129 31.823 -0.117 0.000 1.033 910 V HN 0.794 nan 8.190 nan 0.000 0.429 911 L N 2.206 123.070 121.223 -0.599 0.000 2.240 911 L HA 0.539 4.879 4.340 -0.000 0.000 0.211 911 L C 1.666 178.381 176.870 -0.257 0.000 1.106 911 L CA 2.104 56.604 54.840 -0.567 0.000 0.793 911 L CB -1.822 39.553 42.059 -1.140 0.000 0.927 911 L HN 1.918 nan 8.230 nan 0.000 0.446 912 F N 0.120 119.927 119.950 -0.239 0.000 2.373 912 F HA 0.691 5.218 4.527 -0.000 0.000 0.302 912 F C 0.900 176.653 175.800 -0.079 0.000 1.247 912 F CA -0.406 57.510 58.000 -0.141 0.000 1.169 912 F CB -0.395 38.524 39.000 -0.134 0.000 1.309 912 F HN 0.524 nan 8.300 nan 0.000 0.537 913 K N 0.741 121.109 120.400 -0.053 0.000 2.367 913 K HA 0.784 5.104 4.320 -0.000 0.000 0.263 913 K C -0.683 175.902 176.600 -0.024 0.000 1.000 913 K CA 0.052 56.321 56.287 -0.029 0.000 0.891 913 K CB 0.232 32.722 32.500 -0.017 0.000 1.117 913 K HN 2.465 nan 8.250 nan 0.000 0.443 914 L N 0.830 122.039 121.223 -0.022 0.000 2.360 914 L HA 0.706 5.046 4.340 -0.000 0.000 0.276 914 L C 0.607 177.478 176.870 0.001 0.000 1.121 914 L CA 0.072 54.904 54.840 -0.013 0.000 0.845 914 L CB -0.820 41.228 42.059 -0.018 0.000 1.143 914 L HN 1.352 nan 8.230 nan 0.000 0.452 915 H N 1.917 120.993 119.070 0.011 0.000 2.725 915 H HA 0.762 5.318 4.556 -0.000 0.000 0.283 915 H C -0.511 174.837 175.328 0.033 0.000 1.110 915 H CA -0.242 55.818 56.048 0.020 0.000 1.289 915 H CB 0.433 30.207 29.762 0.020 0.000 1.400 915 H HN 2.110 nan 8.280 nan 0.000 0.493 916 F N 1.394 121.369 119.950 0.042 0.000 2.469 916 F HA 0.965 5.492 4.527 -0.000 0.000 0.332 916 F C 0.611 176.449 175.800 0.062 0.000 1.103 916 F CA -0.659 57.380 58.000 0.064 0.000 0.979 916 F CB 0.804 39.859 39.000 0.091 0.000 1.137 916 F HN 1.154 nan 8.300 nan 0.000 0.463 917 T N 0.000 114.592 114.554 0.063 0.000 3.816 917 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 917 T CA 0.000 62.130 62.100 0.050 0.000 1.349 917 T CB 0.000 68.890 68.868 0.037 0.000 0.612 917 T HN 0.000 nan 8.240 nan 0.000 0.658