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 2qft_1_A DATA FIRST_RESID 1 DATA SEQUENCE MESLTLQPIA RVDGTINLPG SKSVSNRALL LAALAHGKTV LTNLLDSDDV DATA SEQUENCE RHMLNALTAL GVSYTLSADR TRCEIIGNGG PLHAEGALEL FLGNAGTAMR DATA SEQUENCE SLAAALCLGS NDIVLTGEPR MKERPIGHLV DALRLGGAKI TYLEQENYPP DATA SEQUENCE LRLQGGFTGG NVDVDGSVSS QFLTALLMTA PLAPEDTVIR IKGDLVSKPY DATA SEQUENCE IDITLNLMKT FGVEIENQHY QQFVVKGGQS YQSPGTYLVE GDASSASYFL DATA SEQUENCE AAAAIKGGTV KVTGIGRNSM QGDIRFADVL EKMGATICWG DDYISCTRGE DATA SEQUENCE LNAIDMDMNH IPDAAMTIAT AALFAKGTTT LRNIYNWRVK ETDRLFAMAT DATA SEQUENCE ELRKVGAEVE EGHDYIRITP PEKLNFAEIA TYNDHRMAMC FSLVALSDTP DATA SEQUENCE VTILDPKCTA KTFPDYFEQL ARISQAA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.286 176.300 -0.023 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.024 0.000 0.988 1 M CB 0.000 32.581 32.600 -0.032 0.000 1.302 2 E N 1.856 122.043 120.200 -0.022 0.000 2.374 2 E HA 0.773 5.123 4.350 -0.001 0.000 0.260 2 E C -0.517 176.062 176.600 -0.036 0.000 1.101 2 E CA -0.191 56.194 56.400 -0.025 0.000 0.907 2 E CB 1.169 30.857 29.700 -0.019 0.000 1.014 2 E HN 0.745 nan 8.360 nan 0.000 0.427 3 S N 0.570 116.242 115.700 -0.047 0.000 2.587 3 S HA 0.608 5.077 4.470 -0.001 0.000 0.269 3 S C -1.647 172.897 174.600 -0.093 0.000 1.154 3 S CA -1.107 57.054 58.200 -0.064 0.000 0.824 3 S CB 0.940 64.117 63.200 -0.039 0.000 1.118 3 S HN 0.389 nan 8.310 nan 0.000 0.462 4 L N -1.408 119.732 121.223 -0.138 0.000 2.409 4 L HA 0.954 5.294 4.340 -0.001 0.000 0.262 4 L C -0.826 175.969 176.870 -0.125 0.000 0.992 4 L CA -0.440 54.295 54.840 -0.175 0.000 0.817 4 L CB 1.476 43.330 42.059 -0.342 0.000 1.350 4 L HN 0.701 nan 8.230 nan 0.000 0.411 5 T N 3.679 118.192 114.554 -0.069 0.000 2.779 5 T HA 0.679 5.028 4.350 -0.001 0.000 0.280 5 T C -0.265 174.436 174.700 0.001 0.000 0.987 5 T CA -0.223 61.883 62.100 0.010 0.000 0.966 5 T CB 0.975 69.879 68.868 0.060 0.000 0.933 5 T HN 0.576 nan 8.240 nan 0.000 0.442 6 L N 3.607 124.854 121.223 0.040 0.000 2.275 6 L HA 0.406 4.746 4.340 -0.001 0.000 0.288 6 L C 0.696 177.617 176.870 0.085 0.000 1.046 6 L CA -0.774 54.101 54.840 0.060 0.000 0.805 6 L CB 1.183 43.304 42.059 0.104 0.000 1.193 6 L HN 0.513 nan 8.230 nan 0.000 0.426 7 Q N 3.705 123.544 119.800 0.064 0.000 2.368 7 Q HA 0.258 4.597 4.340 -0.001 0.000 0.237 7 Q C -2.180 173.864 176.000 0.073 0.000 0.987 7 Q CA -1.776 54.065 55.803 0.064 0.000 0.896 7 Q CB 0.626 29.388 28.738 0.039 0.000 1.241 7 Q HN 0.337 nan 8.270 nan 0.000 0.485 8 P HA -0.054 nan 4.420 nan 0.000 0.264 8 P C -0.986 176.347 177.300 0.055 0.000 1.183 8 P CA 0.776 63.922 63.100 0.076 0.000 0.763 8 P CB 0.350 32.092 31.700 0.070 0.000 0.807 9 I N 2.282 122.882 120.570 0.051 0.000 2.330 9 I HA 0.245 4.415 4.170 -0.001 0.000 0.289 9 I C 1.264 177.391 176.117 0.017 0.000 1.001 9 I CA -0.365 60.954 61.300 0.032 0.000 1.193 9 I CB 1.600 39.618 38.000 0.030 0.000 1.345 9 I HN 0.363 nan 8.210 nan 0.000 0.461 10 A N 6.415 129.243 122.820 0.014 0.000 1.968 10 A HA 0.053 4.372 4.320 -0.001 0.000 0.217 10 A C 1.128 178.710 177.584 -0.004 0.000 1.169 10 A CA 1.127 53.169 52.037 0.008 0.000 0.638 10 A CB 0.079 19.085 19.000 0.009 0.000 0.812 10 A HN 0.768 nan 8.150 nan 0.000 0.446 11 R N -1.723 118.772 120.500 -0.008 0.000 2.664 11 R HA 0.453 4.792 4.340 -0.001 0.000 0.266 11 R C -1.943 174.350 176.300 -0.012 0.000 1.046 11 R CA -0.161 55.929 56.100 -0.015 0.000 0.885 11 R CB 1.546 31.839 30.300 -0.012 0.000 1.254 11 R HN 0.328 nan 8.270 nan 0.000 0.465 12 V N -0.254 119.651 119.914 -0.014 0.000 2.769 12 V HA 0.785 4.905 4.120 -0.001 0.000 0.312 12 V C -0.985 175.103 176.094 -0.010 0.000 1.061 12 V CA -0.488 61.809 62.300 -0.005 0.000 0.931 12 V CB 1.912 33.744 31.823 0.014 0.000 1.010 12 V HN 0.851 nan 8.190 nan 0.000 0.433 13 D N 1.029 121.419 120.400 -0.016 0.000 2.787 13 D HA 0.587 5.226 4.640 -0.001 0.000 0.215 13 D C -0.317 175.960 176.300 -0.039 0.000 1.246 13 D CA 0.752 54.737 54.000 -0.026 0.000 0.798 13 D CB 2.175 42.959 40.800 -0.026 0.000 1.649 13 D HN 1.440 nan 8.370 nan 0.000 0.507 14 G N 0.982 109.752 108.800 -0.050 0.000 2.320 14 G HA2 0.247 4.206 3.960 -0.001 0.000 0.274 14 G HA3 0.247 4.206 3.960 -0.001 0.000 0.274 14 G C -1.471 173.378 174.900 -0.084 0.000 1.324 14 G CA -0.418 44.641 45.100 -0.069 0.000 0.957 14 G HN 0.463 nan 8.290 nan 0.000 0.481 15 T N 0.431 114.924 114.554 -0.101 0.000 2.886 15 T HA 0.683 5.033 4.350 -0.001 0.000 0.292 15 T C -0.441 174.174 174.700 -0.142 0.000 1.012 15 T CA -0.255 61.779 62.100 -0.109 0.000 0.982 15 T CB 1.488 70.297 68.868 -0.098 0.000 1.018 15 T HN 0.569 nan 8.240 nan 0.000 0.451 16 I N 3.319 123.792 120.570 -0.162 0.000 2.436 16 I HA 0.344 4.514 4.170 -0.001 0.000 0.289 16 I C -0.503 175.546 176.117 -0.112 0.000 1.010 16 I CA -1.013 60.155 61.300 -0.221 0.000 1.098 16 I CB 1.647 39.351 38.000 -0.493 0.000 1.266 16 I HN 0.477 nan 8.210 nan 0.000 0.434 17 N N 7.867 126.517 118.700 -0.083 0.000 2.420 17 N HA 0.372 5.111 4.740 -0.001 0.000 0.249 17 N C -0.444 175.047 175.510 -0.033 0.000 1.033 17 N CA -0.377 52.649 53.050 -0.039 0.000 0.944 17 N CB 1.389 39.857 38.487 -0.031 0.000 1.113 17 N HN 0.429 nan 8.380 nan 0.000 0.502 18 L N 3.401 124.613 121.223 -0.018 0.000 2.467 18 L HA 0.203 4.542 4.340 -0.001 0.000 0.270 18 L C -1.445 175.371 176.870 -0.091 0.000 1.205 18 L CA -1.201 53.617 54.840 -0.035 0.000 0.828 18 L CB -0.093 41.962 42.059 -0.007 0.000 1.101 18 L HN 0.265 nan 8.230 nan 0.000 0.479 19 P HA 0.126 nan 4.420 nan 0.000 0.276 19 P C -0.208 177.003 177.300 -0.150 0.000 1.252 19 P CA -0.427 62.548 63.100 -0.209 0.000 0.802 19 P CB 0.590 32.031 31.700 -0.431 0.000 1.035 20 G N 0.398 109.142 108.800 -0.093 0.000 2.614 20 G HA2 0.177 4.136 3.960 -0.001 0.000 0.239 20 G HA3 0.177 4.136 3.960 -0.001 0.000 0.239 20 G C 0.035 174.905 174.900 -0.050 0.000 1.240 20 G CA -0.272 44.796 45.100 -0.053 0.000 0.842 20 G HN 0.536 nan 8.290 nan 0.000 0.584 21 S N 0.077 115.768 115.700 -0.014 0.000 2.516 21 S HA 0.053 4.523 4.470 -0.001 0.000 0.282 21 S C 1.609 176.219 174.600 0.016 0.000 1.286 21 S CA -0.325 57.880 58.200 0.007 0.000 1.066 21 S CB 0.849 64.070 63.200 0.035 0.000 0.884 21 S HN 0.682 nan 8.310 nan 0.000 0.491 22 K N 3.787 124.197 120.400 0.016 0.000 2.057 22 K HA -0.081 4.238 4.320 -0.001 0.000 0.207 22 K C 1.910 178.525 176.600 0.026 0.000 1.049 22 K CA 1.851 58.145 56.287 0.012 0.000 0.931 22 K CB -0.684 31.823 32.500 0.013 0.000 0.714 22 K HN 0.670 nan 8.250 nan 0.000 0.440 23 S N 0.725 116.463 115.700 0.064 0.000 2.356 23 S HA -0.112 4.357 4.470 -0.001 0.000 0.223 23 S C 2.052 176.692 174.600 0.067 0.000 1.032 23 S CA 1.448 59.702 58.200 0.089 0.000 1.005 23 S CB -0.202 63.120 63.200 0.203 0.000 0.867 23 S HN 0.150 nan 8.310 nan 0.000 0.449 24 V N 1.414 121.374 119.914 0.077 0.000 2.358 24 V HA -0.120 4.000 4.120 -0.001 0.000 0.246 24 V C 2.420 178.552 176.094 0.064 0.000 1.047 24 V CA 1.674 64.029 62.300 0.092 0.000 1.035 24 V CB -0.890 31.016 31.823 0.139 0.000 0.658 24 V HN 0.402 nan 8.190 nan 0.000 0.452 25 S N 0.747 116.473 115.700 0.045 0.000 2.353 25 S HA -0.217 4.253 4.470 -0.001 0.000 0.222 25 S C 1.901 176.480 174.600 -0.035 0.000 1.035 25 S CA 1.829 60.038 58.200 0.015 0.000 1.025 25 S CB -0.455 62.743 63.200 -0.003 0.000 0.902 25 S HN 0.588 nan 8.310 nan 0.000 0.440 26 N N 0.742 119.416 118.700 -0.043 0.000 2.331 26 N HA 0.063 4.802 4.740 -0.001 0.000 0.180 26 N C 1.743 177.183 175.510 -0.117 0.000 1.019 26 N CA 0.633 53.638 53.050 -0.076 0.000 0.881 26 N CB -0.161 38.289 38.487 -0.061 0.000 0.972 26 N HN 0.344 nan 8.380 nan 0.000 0.435 27 R N 0.365 120.800 120.500 -0.110 0.000 2.062 27 R HA 0.094 4.434 4.340 -0.001 0.000 0.229 27 R C 2.123 178.242 176.300 -0.302 0.000 1.128 27 R CA 1.247 57.239 56.100 -0.181 0.000 0.960 27 R CB -0.274 29.951 30.300 -0.124 0.000 0.855 27 R HN 0.136 nan 8.270 nan 0.000 0.432 28 A N 1.071 123.760 122.820 -0.219 0.000 1.933 28 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 28 A C 2.134 179.540 177.584 -0.297 0.000 1.175 28 A CA 1.144 53.017 52.037 -0.274 0.000 0.628 28 A CB -0.489 18.487 19.000 -0.040 0.000 0.814 28 A HN 0.176 nan 8.150 nan 0.000 0.444 29 L N -1.225 119.875 121.223 -0.205 0.000 2.027 29 L HA -0.154 4.186 4.340 -0.001 0.000 0.206 29 L C 2.554 179.275 176.870 -0.247 0.000 1.074 29 L CA 1.179 55.901 54.840 -0.198 0.000 0.745 29 L CB -0.467 41.487 42.059 -0.175 0.000 0.898 29 L HN 0.476 nan 8.230 nan 0.000 0.433 30 L N -0.205 120.854 121.223 -0.275 0.000 2.027 30 L HA -0.184 4.155 4.340 -0.001 0.000 0.206 30 L C 2.285 178.910 176.870 -0.408 0.000 1.074 30 L CA 1.717 56.390 54.840 -0.278 0.000 0.745 30 L CB -0.418 41.494 42.059 -0.245 0.000 0.898 30 L HN 0.095 nan 8.230 nan 0.000 0.433 31 L N -0.611 120.208 121.223 -0.673 0.000 2.083 31 L HA -0.156 4.183 4.340 -0.001 0.000 0.209 31 L C 2.667 179.049 176.870 -0.813 0.000 1.083 31 L CA 1.105 55.308 54.840 -1.061 0.000 0.752 31 L CB -0.964 40.010 42.059 -1.807 0.000 0.899 31 L HN 0.378 nan 8.230 nan 0.000 0.433 32 A N 0.093 122.550 122.820 -0.605 0.000 1.933 32 A HA -0.146 4.173 4.320 -0.001 0.000 0.218 32 A C 2.529 180.083 177.584 -0.049 0.000 1.175 32 A CA 1.666 53.664 52.037 -0.064 0.000 0.628 32 A CB -0.612 18.417 19.000 0.048 0.000 0.814 32 A HN 0.396 nan 8.150 nan 0.000 0.444 33 A N -0.453 122.295 122.820 -0.120 0.000 1.930 33 A HA 0.038 4.358 4.320 -0.001 0.000 0.217 33 A C 2.096 179.643 177.584 -0.063 0.000 1.175 33 A CA 1.401 53.399 52.037 -0.066 0.000 0.627 33 A CB -0.474 18.480 19.000 -0.077 0.000 0.815 33 A HN 0.465 nan 8.150 nan 0.000 0.443 34 L N -0.792 120.374 121.223 -0.094 0.000 2.240 34 L HA 0.103 4.443 4.340 -0.001 0.000 0.211 34 L C 1.743 178.644 176.870 0.052 0.000 1.106 34 L CA 0.172 54.997 54.840 -0.024 0.000 0.793 34 L CB -0.524 41.542 42.059 0.011 0.000 0.927 34 L HN 0.396 nan 8.230 nan 0.000 0.446 35 A N -0.809 122.065 122.820 0.089 0.000 2.327 35 A HA 0.208 4.528 4.320 -0.001 0.000 0.255 35 A C -0.670 176.974 177.584 0.099 0.000 1.099 35 A CA -0.139 52.034 52.037 0.228 0.000 0.801 35 A CB -0.091 19.117 19.000 0.346 0.000 1.062 35 A HN 0.253 nan 8.150 nan 0.000 0.496 36 H N -0.839 118.315 119.070 0.139 0.000 2.473 36 H HA 0.561 5.117 4.556 -0.001 0.000 0.327 36 H C 0.801 176.183 175.328 0.090 0.000 1.105 36 H CA 0.942 57.047 56.048 0.096 0.000 1.280 36 H CB 1.137 30.945 29.762 0.078 0.000 1.450 36 H HN 1.376 nan 8.280 nan 0.000 0.492 37 G N 1.593 110.490 108.800 0.162 0.000 2.592 37 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.684 37 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.684 37 G C -1.032 173.925 174.900 0.094 0.000 1.291 37 G CA -0.885 44.285 45.100 0.116 0.000 0.891 37 G HN 0.705 nan 8.290 nan 0.000 0.544 38 K N 0.103 120.549 120.400 0.077 0.000 2.213 38 K HA 0.658 4.978 4.320 -0.001 0.000 0.270 38 K C -0.301 176.342 176.600 0.072 0.000 1.002 38 K CA -0.353 55.978 56.287 0.073 0.000 0.868 38 K CB 0.888 33.425 32.500 0.061 0.000 1.093 38 K HN 0.546 nan 8.250 nan 0.000 0.454 39 T N 2.891 117.498 114.554 0.089 0.000 2.824 39 T HA 0.304 4.654 4.350 -0.001 0.000 0.280 39 T C -0.891 173.861 174.700 0.088 0.000 0.995 39 T CA -0.611 61.543 62.100 0.089 0.000 1.009 39 T CB 1.439 70.398 68.868 0.151 0.000 0.955 39 T HN 0.285 nan 8.240 nan 0.000 0.452 40 V N 5.134 125.097 119.914 0.081 0.000 2.334 40 V HA 0.402 4.522 4.120 -0.001 0.000 0.281 40 V C -0.241 175.917 176.094 0.107 0.000 1.016 40 V CA -0.728 61.620 62.300 0.080 0.000 0.832 40 V CB 0.974 32.833 31.823 0.060 0.000 0.999 40 V HN 0.710 nan 8.190 nan 0.000 0.439 41 L N 5.478 126.766 121.223 0.108 0.000 2.289 41 L HA 0.677 5.016 4.340 -0.001 0.000 0.285 41 L C 0.500 177.420 176.870 0.084 0.000 1.049 41 L CA -0.182 54.742 54.840 0.140 0.000 0.804 41 L CB 1.895 44.032 42.059 0.130 0.000 1.195 41 L HN 0.753 nan 8.230 nan 0.000 0.428 42 T N -1.171 113.422 114.554 0.066 0.000 2.924 42 T HA 0.299 4.649 4.350 -0.001 0.000 0.291 42 T C 0.401 175.108 174.700 0.011 0.000 1.045 42 T CA -0.722 61.393 62.100 0.026 0.000 1.015 42 T CB 1.752 70.624 68.868 0.006 0.000 1.103 42 T HN 0.780 nan 8.240 nan 0.000 0.496 43 N N -0.358 118.343 118.700 0.002 0.000 2.741 43 N HA -0.161 4.579 4.740 -0.001 0.000 0.250 43 N C -0.377 175.133 175.510 0.000 0.000 1.115 43 N CA 0.015 53.061 53.050 -0.007 0.000 0.724 43 N CB -0.848 37.625 38.487 -0.024 0.000 1.090 43 N HN 0.715 nan 8.380 nan 0.000 0.558 44 L N 1.599 122.829 121.223 0.012 0.000 2.485 44 L HA 0.233 4.572 4.340 -0.001 0.000 0.275 44 L C 0.293 177.158 176.870 -0.009 0.000 1.207 44 L CA 0.107 54.953 54.840 0.009 0.000 0.855 44 L CB 0.500 42.560 42.059 0.003 0.000 1.114 44 L HN 0.217 nan 8.230 nan 0.000 0.485 45 L N 4.258 125.470 121.223 -0.017 0.000 2.367 45 L HA 0.278 4.618 4.340 -0.001 0.000 0.275 45 L C -0.623 176.232 176.870 -0.026 0.000 1.129 45 L CA 0.228 55.050 54.840 -0.030 0.000 0.839 45 L CB 0.616 42.653 42.059 -0.036 0.000 1.133 45 L HN 0.723 nan 8.230 nan 0.000 0.453 46 D N 3.444 123.835 120.400 -0.015 0.000 2.412 46 D HA 0.539 5.179 4.640 -0.001 0.000 0.224 46 D C -0.928 175.371 176.300 -0.001 0.000 1.093 46 D CA 0.157 54.152 54.000 -0.008 0.000 0.850 46 D CB 0.670 41.475 40.800 0.009 0.000 1.046 46 D HN 0.710 nan 8.370 nan 0.000 0.507 47 S N 2.182 117.868 115.700 -0.024 0.000 2.643 47 S HA 0.304 4.773 4.470 -0.001 0.000 0.270 47 S C 0.366 174.921 174.600 -0.076 0.000 1.166 47 S CA -0.800 57.387 58.200 -0.022 0.000 0.815 47 S CB 1.185 64.379 63.200 -0.011 0.000 1.139 47 S HN 0.097 nan 8.310 nan 0.000 0.472 48 D N 1.176 121.525 120.400 -0.085 0.000 2.104 48 D HA -0.094 4.545 4.640 -0.001 0.000 0.194 48 D C 1.068 177.249 176.300 -0.198 0.000 0.994 48 D CA 1.767 55.661 54.000 -0.177 0.000 0.830 48 D CB -0.478 40.285 40.800 -0.062 0.000 0.959 48 D HN 0.627 nan 8.370 nan 0.000 0.452 49 D N -0.090 120.269 120.400 -0.068 0.000 2.149 49 D HA -0.093 4.546 4.640 -0.001 0.000 0.198 49 D C 2.205 178.487 176.300 -0.030 0.000 0.990 49 D CA 0.380 54.375 54.000 -0.008 0.000 0.839 49 D CB -0.092 40.684 40.800 -0.040 0.000 0.948 49 D HN 0.104 nan 8.370 nan 0.000 0.460 50 V N 0.321 120.196 119.914 -0.065 0.000 2.488 50 V HA -0.106 4.014 4.120 -0.001 0.000 0.246 50 V C 2.446 178.490 176.094 -0.083 0.000 1.046 50 V CA 1.068 63.329 62.300 -0.066 0.000 1.053 50 V CB -0.355 31.431 31.823 -0.062 0.000 0.679 50 V HN 0.089 nan 8.190 nan 0.000 0.458 51 R N -0.584 119.838 120.500 -0.131 0.000 2.105 51 R HA -0.196 4.143 4.340 -0.001 0.000 0.239 51 R C 2.388 178.618 176.300 -0.118 0.000 1.135 51 R CA 1.684 57.698 56.100 -0.144 0.000 0.967 51 R CB -0.277 29.898 30.300 -0.209 0.000 0.861 51 R HN 0.562 nan 8.270 nan 0.000 0.442 52 H N -0.159 118.922 119.070 0.020 0.000 2.389 52 H HA -0.121 4.434 4.556 -0.001 0.000 0.299 52 H C 1.915 177.246 175.328 0.005 0.000 1.081 52 H CA 1.754 57.820 56.048 0.030 0.000 1.345 52 H CB -0.236 29.526 29.762 0.000 0.000 1.393 52 H HN 0.236 nan 8.280 nan 0.000 0.520 53 M N 0.681 120.324 119.600 0.071 0.000 2.132 53 M HA -0.075 4.405 4.480 -0.001 0.000 0.263 53 M C 2.088 178.381 176.300 -0.011 0.000 1.065 53 M CA 1.272 56.576 55.300 0.006 0.000 1.122 53 M CB -0.650 31.923 32.600 -0.044 0.000 1.365 53 M HN 0.119 nan 8.290 nan 0.000 0.411 54 L N -0.195 121.005 121.223 -0.038 0.000 2.046 54 L HA -0.253 4.086 4.340 -0.001 0.000 0.208 54 L C 2.049 178.999 176.870 0.134 0.000 1.077 54 L CA 1.831 56.639 54.840 -0.055 0.000 0.747 54 L CB -0.938 41.071 42.059 -0.084 0.000 0.896 54 L HN 0.468 nan 8.230 nan 0.000 0.432 55 N N -0.418 118.359 118.700 0.129 0.000 2.166 55 N HA -0.158 4.582 4.740 -0.001 0.000 0.186 55 N C 1.900 177.491 175.510 0.136 0.000 1.019 55 N CA 0.903 54.046 53.050 0.154 0.000 0.856 55 N CB -0.127 38.461 38.487 0.168 0.000 0.993 55 N HN 0.329 nan 8.380 nan 0.000 0.426 56 A N 1.331 124.218 122.820 0.111 0.000 1.898 56 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 56 A C 2.136 179.764 177.584 0.073 0.000 1.181 56 A CA 0.889 52.973 52.037 0.078 0.000 0.620 56 A CB -0.613 18.413 19.000 0.045 0.000 0.819 56 A HN 0.150 nan 8.150 nan 0.000 0.442 57 L N -0.779 120.496 121.223 0.086 0.000 2.046 57 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 57 L C 2.779 179.747 176.870 0.163 0.000 1.077 57 L CA 1.744 56.649 54.840 0.108 0.000 0.747 57 L CB -1.066 41.054 42.059 0.102 0.000 0.896 57 L HN 0.330 nan 8.230 nan 0.000 0.432 58 T N 0.093 114.778 114.554 0.220 0.000 2.684 58 T HA -0.199 4.150 4.350 -0.001 0.000 0.267 58 T C 1.983 176.721 174.700 0.063 0.000 1.036 58 T CA 1.496 63.668 62.100 0.121 0.000 1.148 58 T CB -0.230 68.696 68.868 0.098 0.000 0.863 58 T HN 0.462 nan 8.240 nan 0.000 0.436 59 A N 0.833 123.695 122.820 0.071 0.000 2.015 59 A HA 0.094 4.414 4.320 -0.001 0.000 0.219 59 A C 2.097 179.706 177.584 0.042 0.000 1.163 59 A CA 1.014 53.081 52.037 0.051 0.000 0.646 59 A CB -0.658 18.377 19.000 0.058 0.000 0.806 59 A HN 0.507 nan 8.150 nan 0.000 0.448 60 L N -1.372 119.877 121.223 0.044 0.000 2.599 60 L HA 0.181 4.521 4.340 -0.001 0.000 0.230 60 L C 1.635 178.526 176.870 0.035 0.000 1.141 60 L CA 0.578 55.438 54.840 0.034 0.000 0.877 60 L CB -0.070 41.999 42.059 0.018 0.000 1.009 60 L HN 0.579 nan 8.230 nan 0.000 0.447 61 G N -0.314 108.507 108.800 0.035 0.000 2.157 61 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.239 61 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.239 61 G C 0.192 175.109 174.900 0.028 0.000 0.982 61 G CA -0.077 45.038 45.100 0.025 0.000 0.650 61 G HN 0.069 nan 8.290 nan 0.000 0.527 62 V N 1.391 121.337 119.914 0.053 0.000 2.614 62 V HA 0.526 4.645 4.120 -0.001 0.000 0.291 62 V C 0.880 177.016 176.094 0.070 0.000 1.049 62 V CA 0.245 62.593 62.300 0.080 0.000 1.038 62 V CB 1.629 33.527 31.823 0.125 0.000 0.980 62 V HN 0.349 nan 8.190 nan 0.000 0.481 63 S N 4.568 120.298 115.700 0.050 0.000 2.480 63 S HA 0.765 5.235 4.470 -0.001 0.000 0.286 63 S C -0.807 173.837 174.600 0.074 0.000 1.180 63 S CA -0.432 57.756 58.200 -0.020 0.000 1.075 63 S CB 0.703 63.893 63.200 -0.016 0.000 0.996 63 S HN 0.733 nan 8.310 nan 0.000 0.487 64 Y N -0.828 119.479 120.300 0.011 0.000 2.656 64 Y HA 0.751 5.300 4.550 -0.001 0.000 0.334 64 Y C -0.687 175.222 175.900 0.014 0.000 1.179 64 Y CA -1.306 56.803 58.100 0.014 0.000 1.050 64 Y CB 0.581 39.049 38.460 0.013 0.000 1.308 64 Y HN 0.555 nan 8.280 nan 0.000 0.456 65 T N 0.362 115.077 114.554 0.268 0.000 2.907 65 T HA 0.824 5.174 4.350 -0.001 0.000 0.292 65 T C -1.349 173.493 174.700 0.238 0.000 1.043 65 T CA -0.797 61.407 62.100 0.173 0.000 1.003 65 T CB 1.803 70.719 68.868 0.080 0.000 1.084 65 T HN 0.845 nan 8.240 nan 0.000 0.483 66 L N 2.250 123.580 121.223 0.178 0.000 2.354 66 L HA 0.624 4.964 4.340 -0.001 0.000 0.269 66 L C 0.804 177.721 176.870 0.079 0.000 1.005 66 L CA -1.084 53.835 54.840 0.132 0.000 0.819 66 L CB 2.481 44.626 42.059 0.143 0.000 1.311 66 L HN 1.042 nan 8.230 nan 0.000 0.423 67 S N 1.038 116.774 115.700 0.059 0.000 2.617 67 S HA 0.311 4.781 4.470 -0.001 0.000 0.259 67 S C 1.232 175.855 174.600 0.038 0.000 1.301 67 S CA -0.022 58.203 58.200 0.042 0.000 0.984 67 S CB 1.300 64.521 63.200 0.034 0.000 0.954 67 S HN 0.728 nan 8.310 nan 0.000 0.572 68 A N 1.163 124.000 122.820 0.030 0.000 1.917 68 A HA -0.171 4.149 4.320 -0.001 0.000 0.219 68 A C 1.643 179.243 177.584 0.027 0.000 1.182 68 A CA 1.985 54.038 52.037 0.027 0.000 0.633 68 A CB -1.273 17.740 19.000 0.021 0.000 0.819 68 A HN 0.986 nan 8.150 nan 0.000 0.448 69 D N -2.221 118.194 120.400 0.025 0.000 2.328 69 D HA 0.063 4.703 4.640 -0.001 0.000 0.221 69 D C 0.690 177.004 176.300 0.025 0.000 1.072 69 D CA 0.028 54.043 54.000 0.024 0.000 0.850 69 D CB -0.512 40.301 40.800 0.021 0.000 0.922 69 D HN 0.477 nan 8.370 nan 0.000 0.516 70 R N -1.333 119.184 120.500 0.029 0.000 3.875 70 R HA -0.179 4.161 4.340 -0.001 0.000 0.321 70 R C 0.744 177.054 176.300 0.016 0.000 1.196 70 R CA 1.358 57.474 56.100 0.028 0.000 0.868 70 R CB -3.001 27.314 30.300 0.025 0.000 1.333 70 R HN 0.526 nan 8.270 nan 0.000 0.522 71 T N -3.197 111.367 114.554 0.016 0.000 3.040 71 T HA 0.128 4.477 4.350 -0.001 0.000 0.250 71 T C 0.651 175.360 174.700 0.016 0.000 1.058 71 T CA -0.143 61.963 62.100 0.010 0.000 0.988 71 T CB 0.382 69.254 68.868 0.006 0.000 0.993 71 T HN 0.301 nan 8.240 nan 0.000 0.519 72 R N 0.030 120.544 120.500 0.024 0.000 2.437 72 R HA 0.647 4.986 4.340 -0.001 0.000 0.310 72 R C -1.805 174.520 176.300 0.041 0.000 0.955 72 R CA -0.702 55.417 56.100 0.032 0.000 0.851 72 R CB 1.433 31.752 30.300 0.032 0.000 1.161 72 R HN 0.302 nan 8.270 nan 0.000 0.446 73 C N 3.893 123.218 119.300 0.042 0.000 2.431 73 C HA 0.420 4.880 4.460 -0.001 0.000 0.321 73 C C -0.686 174.345 174.990 0.068 0.000 1.202 73 C CA -0.485 58.560 59.018 0.046 0.000 1.398 73 C CB 1.321 29.044 27.740 -0.029 0.000 2.047 73 C HN 0.991 nan 8.230 nan 0.000 0.465 74 E N 4.925 125.187 120.200 0.103 0.000 2.073 74 E HA 0.588 4.937 4.350 -0.001 0.000 0.269 74 E C -1.115 175.567 176.600 0.138 0.000 0.917 74 E CA -0.395 56.066 56.400 0.101 0.000 0.757 74 E CB 0.591 30.342 29.700 0.086 0.000 1.111 74 E HN 0.670 nan 8.360 nan 0.000 0.410 75 I N 5.092 125.732 120.570 0.117 0.000 2.359 75 I HA 0.221 4.391 4.170 -0.001 0.000 0.294 75 I C -0.241 175.941 176.117 0.109 0.000 0.987 75 I CA -0.645 60.736 61.300 0.135 0.000 1.225 75 I CB 1.275 39.323 38.000 0.080 0.000 1.366 75 I HN 0.489 nan 8.210 nan 0.000 0.466 76 I N 5.596 126.231 120.570 0.109 0.000 2.291 76 I HA 0.234 4.404 4.170 -0.001 0.000 0.292 76 I C 1.085 177.239 176.117 0.061 0.000 1.064 76 I CA -0.064 61.282 61.300 0.075 0.000 1.269 76 I CB 0.141 38.176 38.000 0.059 0.000 1.418 76 I HN 0.681 nan 8.210 nan 0.000 0.485 77 G N 4.432 113.265 108.800 0.055 0.000 2.414 77 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.236 77 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.236 77 G C 0.797 175.684 174.900 -0.023 0.000 1.293 77 G CA -0.169 44.947 45.100 0.026 0.000 0.869 77 G HN 0.726 nan 8.290 nan 0.000 0.556 78 N N 0.586 119.256 118.700 -0.050 0.000 2.457 78 N HA 0.063 4.803 4.740 -0.001 0.000 0.180 78 N C 1.800 177.208 175.510 -0.171 0.000 1.050 78 N CA 1.390 54.399 53.050 -0.069 0.000 0.906 78 N CB -0.061 38.400 38.487 -0.043 0.000 0.968 78 N HN 1.074 nan 8.380 nan 0.000 0.445 79 G N -1.151 107.433 108.800 -0.359 0.000 2.272 79 G HA2 0.068 4.028 3.960 -0.001 0.000 0.280 79 G HA3 0.068 4.028 3.960 -0.001 0.000 0.280 79 G C 0.345 174.940 174.900 -0.508 0.000 1.067 79 G CA 0.566 45.067 45.100 -0.998 0.000 0.902 79 G HN 0.880 nan 8.290 nan 0.000 0.500 80 G N -1.722 106.964 108.800 -0.191 0.000 2.369 80 G HA2 0.476 4.436 3.960 -0.001 0.000 0.307 80 G HA3 0.476 4.436 3.960 -0.001 0.000 0.307 80 G C -2.961 171.938 174.900 -0.002 0.000 1.327 80 G CA -0.143 44.956 45.100 -0.001 0.000 0.963 80 G HN 0.526 nan 8.290 nan 0.000 0.590 81 P HA 0.264 nan 4.420 nan 0.000 0.264 81 P C 0.272 177.405 177.300 -0.278 0.000 1.179 81 P CA 0.066 63.098 63.100 -0.114 0.000 0.763 81 P CB 0.323 31.979 31.700 -0.073 0.000 0.806 82 L N 4.058 125.082 121.223 -0.332 0.000 2.395 82 L HA 0.353 4.693 4.340 -0.001 0.000 0.269 82 L C 0.783 177.320 176.870 -0.555 0.000 1.133 82 L CA -0.192 54.477 54.840 -0.286 0.000 0.812 82 L CB 0.293 42.261 42.059 -0.151 0.000 1.125 82 L HN 0.477 nan 8.230 nan 0.000 0.452 83 H N 1.101 120.175 119.070 0.007 0.000 2.961 83 H HA 0.810 5.366 4.556 -0.001 0.000 0.371 83 H C -0.998 174.336 175.328 0.009 0.000 1.190 83 H CA -0.728 55.325 56.048 0.009 0.000 1.138 83 H CB 2.272 32.040 29.762 0.010 0.000 1.816 83 H HN 0.713 nan 8.280 nan 0.000 0.551 84 A N 1.756 124.665 122.820 0.149 0.000 2.599 84 A HA 0.546 4.866 4.320 -0.001 0.000 0.294 84 A C -1.049 176.579 177.584 0.073 0.000 1.055 84 A CA -0.755 51.333 52.037 0.085 0.000 0.683 84 A CB 2.191 21.223 19.000 0.053 0.000 1.278 84 A HN 0.547 nan 8.150 nan 0.000 0.412 85 E N -0.698 119.531 120.200 0.049 0.000 2.447 85 E HA 0.658 5.007 4.350 -0.001 0.000 0.258 85 E C 0.600 177.217 176.600 0.027 0.000 0.916 85 E CA -0.091 56.330 56.400 0.036 0.000 0.846 85 E CB 1.298 31.014 29.700 0.026 0.000 1.517 85 E HN 2.114 nan 8.360 nan 0.000 0.418 86 G N 0.334 109.147 108.800 0.021 0.000 2.176 86 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.252 86 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.252 86 G C 0.664 175.575 174.900 0.019 0.000 1.024 86 G CA 0.658 45.769 45.100 0.018 0.000 0.755 86 G HN 1.352 nan 8.290 nan 0.000 0.507 87 A N -2.502 120.330 122.820 0.020 0.000 2.783 87 A HA -0.055 4.264 4.320 -0.001 0.000 0.292 87 A C 1.029 178.627 177.584 0.023 0.000 1.495 87 A CA 1.572 53.621 52.037 0.020 0.000 0.787 87 A CB -1.645 17.366 19.000 0.018 0.000 1.017 87 A HN 2.292 nan 8.150 nan 0.000 0.516 88 L N 0.396 121.635 121.223 0.026 0.000 2.601 88 L HA 0.240 4.580 4.340 -0.001 0.000 0.277 88 L C 0.642 177.532 176.870 0.033 0.000 1.219 88 L CA 1.358 56.216 54.840 0.030 0.000 0.915 88 L CB 0.260 42.338 42.059 0.031 0.000 1.160 88 L HN 0.469 nan 8.230 nan 0.000 0.494 89 E N 5.510 125.735 120.200 0.041 0.000 2.167 89 E HA 0.348 4.697 4.350 -0.001 0.000 0.284 89 E C -1.325 175.317 176.600 0.071 0.000 1.016 89 E CA -0.574 55.858 56.400 0.054 0.000 0.817 89 E CB 0.658 30.395 29.700 0.062 0.000 1.080 89 E HN 0.670 nan 8.360 nan 0.000 0.397 90 L N 5.723 126.985 121.223 0.065 0.000 2.280 90 L HA 0.382 4.721 4.340 -0.001 0.000 0.287 90 L C -0.445 176.478 176.870 0.088 0.000 1.023 90 L CA -0.883 54.002 54.840 0.075 0.000 0.819 90 L CB 0.776 42.855 42.059 0.034 0.000 1.212 90 L HN 0.561 nan 8.230 nan 0.000 0.420 91 F N 4.818 124.754 119.950 -0.023 0.000 2.411 91 F HA 0.378 4.905 4.527 -0.001 0.000 0.355 91 F C 0.274 175.983 175.800 -0.152 0.000 1.117 91 F CA -0.323 57.633 58.000 -0.073 0.000 1.139 91 F CB 0.730 39.697 39.000 -0.056 0.000 1.120 91 F HN 0.338 nan 8.300 nan 0.000 0.493 92 L N 6.871 127.634 121.223 -0.767 0.000 2.965 92 L HA 0.329 4.669 4.340 -0.001 0.000 0.254 92 L C 1.312 177.607 176.870 -0.959 0.000 1.220 92 L CA 0.101 54.558 54.840 -0.638 0.000 1.023 92 L CB -0.524 41.356 42.059 -0.299 0.000 1.355 92 L HN 1.026 nan 8.230 nan 0.000 0.545 93 G N 1.867 109.702 108.800 -1.609 0.000 2.660 93 G HA2 -0.439 3.521 3.960 -0.001 0.000 0.321 93 G HA3 -0.439 3.521 3.960 -0.001 0.000 0.321 93 G C 0.500 175.120 174.900 -0.467 0.000 1.246 93 G CA 0.821 45.364 45.100 -0.930 0.000 1.000 93 G HN 0.472 nan 8.290 nan 0.000 0.550 94 N N 1.212 119.792 118.700 -0.201 0.000 2.497 94 N HA 0.540 5.280 4.740 -0.001 0.000 0.284 94 N C 0.244 175.701 175.510 -0.088 0.000 1.459 94 N CA 0.873 53.848 53.050 -0.125 0.000 0.899 94 N CB 0.176 38.629 38.487 -0.056 0.000 1.316 94 N HN 1.029 nan 8.380 nan 0.000 0.500 95 A N -0.255 122.507 122.820 -0.097 0.000 2.527 95 A HA 0.531 4.851 4.320 -0.001 0.000 0.313 95 A C 1.510 179.054 177.584 -0.067 0.000 1.410 95 A CA -0.135 51.869 52.037 -0.056 0.000 1.060 95 A CB -0.377 18.623 19.000 0.000 0.000 1.137 95 A HN 0.340 nan 8.150 nan 0.000 0.542 96 G N 1.681 110.443 108.800 -0.062 0.000 2.422 96 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.218 96 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.218 96 G C 1.577 176.440 174.900 -0.061 0.000 1.146 96 G CA 1.700 46.767 45.100 -0.056 0.000 0.769 96 G HN 0.839 nan 8.290 nan 0.000 0.547 97 T N -0.882 113.630 114.554 -0.070 0.000 2.881 97 T HA 0.170 4.520 4.350 -0.001 0.000 0.270 97 T C 2.422 177.086 174.700 -0.059 0.000 1.068 97 T CA 1.756 63.815 62.100 -0.069 0.000 1.131 97 T CB -0.197 68.634 68.868 -0.062 0.000 0.871 97 T HN 0.338 nan 8.240 nan 0.000 0.479 98 A N 1.062 123.850 122.820 -0.052 0.000 1.911 98 A HA 0.359 4.679 4.320 -0.001 0.000 0.212 98 A C 2.291 179.842 177.584 -0.054 0.000 1.189 98 A CA 1.237 53.243 52.037 -0.051 0.000 0.639 98 A CB -0.639 18.340 19.000 -0.034 0.000 0.839 98 A HN 0.436 nan 8.150 nan 0.000 0.449 99 M N -0.134 119.432 119.600 -0.056 0.000 2.080 99 M HA -0.119 4.361 4.480 -0.001 0.000 0.260 99 M C 1.933 178.223 176.300 -0.018 0.000 1.068 99 M CA 1.794 57.066 55.300 -0.047 0.000 1.109 99 M CB -0.410 32.162 32.600 -0.047 0.000 1.342 99 M HN 0.259 nan 8.290 nan 0.000 0.405 100 R N 0.121 120.625 120.500 0.007 0.000 2.066 100 R HA -0.023 4.316 4.340 -0.001 0.000 0.232 100 R C 2.531 178.831 176.300 0.000 0.000 1.131 100 R CA 1.843 57.974 56.100 0.051 0.000 0.955 100 R CB -1.320 29.043 30.300 0.106 0.000 0.851 100 R HN 0.706 nan 8.270 nan 0.000 0.432 101 S N 0.421 116.101 115.700 -0.034 0.000 2.382 101 S HA -0.088 4.381 4.470 -0.001 0.000 0.228 101 S C 1.990 176.543 174.600 -0.079 0.000 1.027 101 S CA 1.061 59.222 58.200 -0.064 0.000 0.991 101 S CB -0.486 62.663 63.200 -0.084 0.000 0.823 101 S HN 0.218 nan 8.310 nan 0.000 0.469 102 L N 1.233 122.414 121.223 -0.070 0.000 2.156 102 L HA 0.076 4.416 4.340 -0.001 0.000 0.208 102 L C 3.157 179.984 176.870 -0.072 0.000 1.095 102 L CA 0.863 55.659 54.840 -0.073 0.000 0.770 102 L CB -0.795 41.227 42.059 -0.061 0.000 0.914 102 L HN 0.467 nan 8.230 nan 0.000 0.439 103 A N 0.245 123.028 122.820 -0.062 0.000 1.940 103 A HA -0.178 4.142 4.320 -0.001 0.000 0.219 103 A C 2.503 180.032 177.584 -0.092 0.000 1.176 103 A CA 1.871 53.867 52.037 -0.067 0.000 0.631 103 A CB -0.527 18.441 19.000 -0.053 0.000 0.814 103 A HN 0.404 nan 8.150 nan 0.000 0.446 104 A N -0.365 122.388 122.820 -0.111 0.000 1.855 104 A HA 0.314 4.634 4.320 -0.001 0.000 0.213 104 A C 2.524 179.995 177.584 -0.189 0.000 1.195 104 A CA 1.706 53.633 52.037 -0.182 0.000 0.610 104 A CB -1.110 17.768 19.000 -0.203 0.000 0.837 104 A HN 1.034 nan 8.150 nan 0.000 0.444 105 A N -0.035 122.699 122.820 -0.144 0.000 1.908 105 A HA -0.072 4.248 4.320 -0.001 0.000 0.218 105 A C 1.940 179.459 177.584 -0.109 0.000 1.181 105 A CA 1.529 53.491 52.037 -0.124 0.000 0.627 105 A CB -0.691 18.242 19.000 -0.111 0.000 0.818 105 A HN 0.471 nan 8.150 nan 0.000 0.445 106 L N -0.711 120.453 121.223 -0.097 0.000 2.610 106 L HA -0.081 4.259 4.340 -0.001 0.000 0.232 106 L C 1.475 178.320 176.870 -0.042 0.000 1.149 106 L CA -0.132 54.659 54.840 -0.082 0.000 0.872 106 L CB -0.423 41.596 42.059 -0.065 0.000 0.992 106 L HN 0.444 nan 8.230 nan 0.000 0.447 107 C N -0.191 119.086 119.300 -0.039 0.000 2.618 107 C HA 0.166 4.626 4.460 -0.001 0.000 0.264 107 C C 1.335 176.384 174.990 0.098 0.000 1.334 107 C CA -0.650 58.383 59.018 0.026 0.000 1.731 107 C CB -0.904 26.849 27.740 0.021 0.000 1.852 107 C HN 0.249 nan 8.230 nan 0.000 0.566 108 L N 1.426 122.687 121.223 0.063 0.000 2.360 108 L HA 0.480 4.819 4.340 -0.001 0.000 0.276 108 L C 1.222 178.198 176.870 0.176 0.000 1.121 108 L CA 1.070 55.984 54.840 0.122 0.000 0.845 108 L CB -0.117 41.983 42.059 0.068 0.000 1.143 108 L HN 0.556 nan 8.230 nan 0.000 0.452 109 G N 3.124 112.038 108.800 0.190 0.000 2.539 109 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.256 109 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.256 109 G C -0.230 174.767 174.900 0.161 0.000 1.233 109 G CA -0.113 45.109 45.100 0.202 0.000 0.936 109 G HN 0.880 nan 8.290 nan 0.000 0.571 110 S N 0.373 116.151 115.700 0.132 0.000 2.638 110 S HA 0.857 5.327 4.470 -0.001 0.000 0.298 110 S C -0.274 174.419 174.600 0.156 0.000 1.111 110 S CA -0.141 58.110 58.200 0.084 0.000 1.027 110 S CB 2.423 65.630 63.200 0.012 0.000 1.064 110 S HN 1.235 nan 8.310 nan 0.000 0.525 111 N N -0.116 118.651 118.700 0.112 0.000 3.348 111 N HA 0.394 5.133 4.740 -0.001 0.000 0.233 111 N C -2.555 172.991 175.510 0.060 0.000 1.440 111 N CA -0.353 52.768 53.050 0.119 0.000 0.887 111 N CB 1.978 40.538 38.487 0.122 0.000 1.410 111 N HN 0.802 nan 8.380 nan 0.000 0.502 112 D N 1.306 121.734 120.400 0.048 0.000 2.337 112 D HA 0.489 5.129 4.640 -0.001 0.000 0.238 112 D C -1.264 175.052 176.300 0.026 0.000 1.331 112 D CA 0.001 54.018 54.000 0.028 0.000 0.967 112 D CB 0.067 40.881 40.800 0.023 0.000 1.382 112 D HN 0.450 nan 8.370 nan 0.000 0.549 113 I N 1.631 122.212 120.570 0.018 0.000 2.647 113 I HA 0.446 4.615 4.170 -0.001 0.000 0.295 113 I C -0.455 175.665 176.117 0.005 0.000 1.078 113 I CA -1.163 60.145 61.300 0.014 0.000 1.048 113 I CB 2.670 40.676 38.000 0.010 0.000 1.239 113 I HN -0.051 nan 8.210 nan 0.000 0.421 114 V N 6.293 126.214 119.914 0.011 0.000 2.417 114 V HA 0.457 4.576 4.120 -0.001 0.000 0.291 114 V C -0.224 175.875 176.094 0.008 0.000 1.024 114 V CA -0.554 61.751 62.300 0.009 0.000 0.861 114 V CB 1.845 33.681 31.823 0.021 0.000 0.985 114 V HN 0.421 nan 8.190 nan 0.000 0.436 115 L N 4.561 125.780 121.223 -0.006 0.000 2.296 115 L HA 0.710 5.050 4.340 -0.001 0.000 0.286 115 L C 0.142 176.998 176.870 -0.024 0.000 1.023 115 L CA 0.108 54.935 54.840 -0.021 0.000 0.812 115 L CB 1.776 43.813 42.059 -0.037 0.000 1.223 115 L HN 0.727 nan 8.230 nan 0.000 0.421 116 T N 1.333 115.858 114.554 -0.048 0.000 2.654 116 T HA 0.906 5.255 4.350 -0.001 0.000 0.289 116 T C -0.447 174.096 174.700 -0.261 0.000 1.062 116 T CA 0.091 62.153 62.100 -0.064 0.000 1.041 116 T CB 2.184 71.074 68.868 0.037 0.000 1.417 116 T HN 0.825 nan 8.240 nan 0.000 0.510 117 G N -0.035 108.581 108.800 -0.306 0.000 2.494 117 G HA2 0.478 4.438 3.960 -0.001 0.000 0.308 117 G HA3 0.478 4.438 3.960 -0.001 0.000 0.308 117 G C -1.461 173.247 174.900 -0.320 0.000 1.263 117 G CA -0.685 43.964 45.100 -0.752 0.000 0.840 117 G HN 0.755 nan 8.290 nan 0.000 0.479 118 E N 0.664 120.695 120.200 -0.281 0.000 2.409 118 E HA 0.183 4.532 4.350 -0.001 0.000 0.257 118 E C -1.469 175.136 176.600 0.009 0.000 1.150 118 E CA -1.195 55.221 56.400 0.026 0.000 0.942 118 E CB 1.134 30.856 29.700 0.036 0.000 0.979 118 E HN 0.076 nan 8.360 nan 0.000 0.447 119 P HA -0.229 nan 4.420 nan 0.000 0.216 119 P C 1.195 178.489 177.300 -0.009 0.000 1.154 119 P CA 1.398 64.506 63.100 0.014 0.000 0.865 119 P CB 0.166 31.876 31.700 0.017 0.000 0.789 120 R N -0.547 119.951 120.500 -0.005 0.000 2.120 120 R HA -0.114 4.226 4.340 -0.001 0.000 0.234 120 R C 2.061 178.353 176.300 -0.013 0.000 1.123 120 R CA 1.561 57.656 56.100 -0.009 0.000 0.975 120 R CB -1.527 28.778 30.300 0.007 0.000 0.866 120 R HN 0.068 nan 8.270 nan 0.000 0.446 121 M N 0.670 120.254 119.600 -0.027 0.000 2.279 121 M HA -0.045 4.435 4.480 -0.001 0.000 0.264 121 M C 1.027 177.338 176.300 0.020 0.000 1.062 121 M CA 1.748 57.033 55.300 -0.024 0.000 1.099 121 M CB 0.003 32.546 32.600 -0.095 0.000 1.394 121 M HN 0.047 nan 8.290 nan 0.000 0.426 122 K N -0.123 120.279 120.400 0.003 0.000 2.525 122 K HA -0.036 4.284 4.320 -0.001 0.000 0.192 122 K C 0.662 177.231 176.600 -0.051 0.000 1.029 122 K CA 0.728 57.027 56.287 0.020 0.000 1.029 122 K CB -0.018 32.480 32.500 -0.003 0.000 0.814 122 K HN 0.545 nan 8.250 nan 0.000 0.503 123 E N 0.247 120.409 120.200 -0.064 0.000 2.583 123 E HA 0.089 4.438 4.350 -0.001 0.000 0.213 123 E C -0.335 176.293 176.600 0.047 0.000 0.989 123 E CA -0.138 56.137 56.400 -0.208 0.000 0.991 123 E CB 0.763 30.367 29.700 -0.161 0.000 1.040 123 E HN 0.072 nan 8.360 nan 0.000 0.481 124 R N 2.704 123.336 120.500 0.220 0.000 2.294 124 R HA 0.254 4.593 4.340 -0.001 0.000 0.319 124 R C -2.457 174.048 176.300 0.342 0.000 0.984 124 R CA -2.046 54.199 56.100 0.241 0.000 0.861 124 R CB 0.927 31.297 30.300 0.116 0.000 1.104 124 R HN -0.039 nan 8.270 nan 0.000 0.451 125 P HA -0.027 nan 4.420 nan 0.000 0.268 125 P C -0.173 177.109 177.300 -0.030 0.000 1.205 125 P CA 0.415 63.441 63.100 -0.122 0.000 0.771 125 P CB 1.072 32.710 31.700 -0.103 0.000 0.858 126 I N 0.993 121.402 120.570 -0.269 0.000 4.620 126 I HA 0.179 4.349 4.170 -0.001 0.000 0.347 126 I C 1.784 177.634 176.117 -0.444 0.000 1.302 126 I CA 0.083 61.208 61.300 -0.292 0.000 1.277 126 I CB 0.154 38.123 38.000 -0.052 0.000 1.566 126 I HN 0.401 nan 8.210 nan 0.000 0.547 127 G N 0.268 108.820 108.800 -0.412 0.000 2.442 127 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.219 127 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.219 127 G C 1.190 175.968 174.900 -0.203 0.000 1.141 127 G CA 1.413 46.378 45.100 -0.224 0.000 0.763 127 G HN 0.552 nan 8.290 nan 0.000 0.554 128 H N -0.921 117.855 119.070 -0.489 0.000 2.387 128 H HA -0.026 4.530 4.556 -0.000 0.000 0.299 128 H C 2.425 177.482 175.328 -0.452 0.000 1.090 128 H CA 0.801 56.599 56.048 -0.418 0.000 1.332 128 H CB 0.103 29.663 29.762 -0.337 0.000 1.386 128 H HN 0.322 nan 8.280 nan 0.000 0.516 129 L N 0.551 121.377 121.223 -0.661 0.000 2.072 129 L HA -0.095 4.245 4.340 -0.001 0.000 0.205 129 L C 2.177 178.946 176.870 -0.170 0.000 1.079 129 L CA 1.051 55.684 54.840 -0.345 0.000 0.752 129 L CB -0.438 41.419 42.059 -0.336 0.000 0.906 129 L HN 0.021 nan 8.230 nan 0.000 0.436 130 V N 0.185 119.995 119.914 -0.173 0.000 2.332 130 V HA -0.296 3.824 4.120 -0.001 0.000 0.248 130 V C 2.312 178.380 176.094 -0.044 0.000 1.055 130 V CA 1.962 64.197 62.300 -0.108 0.000 1.038 130 V CB -0.836 30.914 31.823 -0.121 0.000 0.651 130 V HN 0.452 nan 8.190 nan 0.000 0.450 131 D N 0.447 120.837 120.400 -0.017 0.000 2.104 131 D HA -0.157 4.482 4.640 -0.001 0.000 0.194 131 D C 2.232 178.548 176.300 0.026 0.000 0.994 131 D CA 1.794 55.804 54.000 0.017 0.000 0.830 131 D CB -0.391 40.425 40.800 0.027 0.000 0.959 131 D HN 0.451 nan 8.370 nan 0.000 0.452 132 A N 0.577 123.411 122.820 0.023 0.000 1.877 132 A HA -0.113 4.207 4.320 -0.001 0.000 0.216 132 A C 2.436 180.102 177.584 0.136 0.000 1.186 132 A CA 0.928 53.006 52.037 0.069 0.000 0.620 132 A CB -0.824 18.212 19.000 0.061 0.000 0.822 132 A HN 0.207 nan 8.150 nan 0.000 0.443 133 L N -1.123 120.161 121.223 0.102 0.000 2.083 133 L HA -0.201 4.138 4.340 -0.001 0.000 0.209 133 L C 2.867 179.871 176.870 0.224 0.000 1.083 133 L CA 1.505 56.464 54.840 0.200 0.000 0.752 133 L CB -0.438 41.645 42.059 0.040 0.000 0.899 133 L HN 0.350 nan 8.230 nan 0.000 0.433 134 R N -0.122 120.435 120.500 0.094 0.000 2.096 134 R HA -0.116 4.224 4.340 -0.001 0.000 0.235 134 R C 2.279 178.607 176.300 0.046 0.000 1.127 134 R CA 1.114 57.247 56.100 0.055 0.000 0.968 134 R CB -0.344 29.968 30.300 0.020 0.000 0.861 134 R HN 0.310 nan 8.270 nan 0.000 0.440 135 L N -0.559 120.698 121.223 0.055 0.000 2.191 135 L HA -0.090 4.250 4.340 -0.001 0.000 0.212 135 L C 2.182 179.043 176.870 -0.015 0.000 1.103 135 L CA 1.162 56.018 54.840 0.027 0.000 0.769 135 L CB -0.378 41.705 42.059 0.041 0.000 0.908 135 L HN 0.354 nan 8.230 nan 0.000 0.438 136 G N -1.631 107.170 108.800 0.002 0.000 2.985 136 G HA2 0.279 4.239 3.960 -0.001 0.000 0.209 136 G HA3 0.279 4.239 3.960 -0.001 0.000 0.209 136 G C 1.188 175.850 174.900 -0.398 0.000 1.165 136 G CA 0.543 45.451 45.100 -0.320 0.000 0.776 136 G HN 0.502 nan 8.290 nan 0.000 0.541 137 G N -1.353 107.373 108.800 -0.123 0.000 2.211 137 G HA2 0.143 4.103 3.960 -0.001 0.000 0.201 137 G HA3 0.143 4.103 3.960 -0.001 0.000 0.201 137 G C 0.587 175.493 174.900 0.009 0.000 0.997 137 G CA 0.110 45.162 45.100 -0.080 0.000 0.652 137 G HN 1.242 nan 8.290 nan 0.000 0.500 138 A N 0.363 123.242 122.820 0.098 0.000 2.445 138 A HA 0.580 4.900 4.320 -0.001 0.000 0.242 138 A C 0.520 178.126 177.584 0.037 0.000 1.075 138 A CA 0.957 53.058 52.037 0.106 0.000 0.777 138 A CB 0.433 19.530 19.000 0.162 0.000 1.013 138 A HN 0.669 nan 8.150 nan 0.000 0.493 139 K N 2.281 122.692 120.400 0.019 0.000 2.263 139 K HA 0.616 4.935 4.320 -0.001 0.000 0.272 139 K C -1.473 175.104 176.600 -0.038 0.000 1.033 139 K CA -0.158 56.123 56.287 -0.010 0.000 0.884 139 K CB 0.339 32.837 32.500 -0.003 0.000 1.107 139 K HN 0.634 nan 8.250 nan 0.000 0.460 140 I N 3.085 123.606 120.570 -0.082 0.000 2.569 140 I HA 0.215 4.385 4.170 -0.001 0.000 0.290 140 I C -0.763 175.225 176.117 -0.215 0.000 1.088 140 I CA -0.795 60.411 61.300 -0.157 0.000 1.047 140 I CB 2.610 40.479 38.000 -0.218 0.000 1.237 140 I HN 0.533 nan 8.210 nan 0.000 0.421 141 T N 4.336 118.769 114.554 -0.201 0.000 2.824 141 T HA 0.474 4.824 4.350 -0.001 0.000 0.282 141 T C -0.890 173.701 174.700 -0.182 0.000 0.993 141 T CA -0.478 61.528 62.100 -0.157 0.000 0.967 141 T CB 0.787 69.626 68.868 -0.048 0.000 0.960 141 T HN 0.125 nan 8.240 nan 0.000 0.441 142 Y N 2.672 122.975 120.300 0.004 0.000 2.365 142 Y HA 0.278 4.827 4.550 -0.001 0.000 0.340 142 Y C 1.265 177.176 175.900 0.019 0.000 1.016 142 Y CA -0.805 57.302 58.100 0.011 0.000 1.196 142 Y CB 0.409 38.878 38.460 0.015 0.000 1.167 142 Y HN 0.562 nan 8.280 nan 0.000 0.509 143 L N 1.570 122.888 121.223 0.158 0.000 2.446 143 L HA 0.061 4.401 4.340 -0.001 0.000 0.219 143 L C 1.046 177.973 176.870 0.096 0.000 1.116 143 L CA 0.905 55.805 54.840 0.100 0.000 0.844 143 L CB 0.153 42.252 42.059 0.066 0.000 0.970 143 L HN 0.710 nan 8.230 nan 0.000 0.457 144 E N -1.088 119.183 120.200 0.118 0.000 4.072 144 E HA 0.107 4.456 4.350 -0.001 0.000 0.247 144 E C -0.316 176.331 176.600 0.078 0.000 1.033 144 E CA -0.614 55.834 56.400 0.080 0.000 1.019 144 E CB 0.326 30.063 29.700 0.062 0.000 2.662 144 E HN -0.101 nan 8.360 nan 0.000 0.514 145 Q N 2.085 121.926 119.800 0.069 0.000 2.304 145 Q HA 0.067 4.407 4.340 -0.001 0.000 0.260 145 Q C -1.017 174.982 176.000 -0.000 0.000 0.965 145 Q CA 0.099 55.933 55.803 0.052 0.000 0.898 145 Q CB 1.068 29.820 28.738 0.024 0.000 1.196 145 Q HN 0.108 nan 8.270 nan 0.000 0.402 146 E N 3.567 123.679 120.200 -0.147 0.000 2.465 146 E HA -0.078 4.272 4.350 -0.001 0.000 0.260 146 E C -0.386 175.781 176.600 -0.722 0.000 0.980 146 E CA 0.866 56.911 56.400 -0.591 0.000 0.927 146 E CB 0.137 29.649 29.700 -0.314 0.000 0.934 146 E HN 0.735 nan 8.360 nan 0.000 0.459 147 N N 1.566 119.308 118.700 -1.597 0.000 2.994 147 N HA -0.212 4.527 4.740 -0.001 0.000 0.221 147 N C -1.345 173.606 175.510 -0.932 0.000 0.900 147 N CA 1.120 53.564 53.050 -1.010 0.000 1.008 147 N CB -1.544 36.471 38.487 -0.787 0.000 1.053 147 N HN 0.429 nan 8.380 nan 0.000 0.580 148 Y N -0.651 119.543 120.300 -0.177 0.000 2.609 148 Y HA 0.576 5.126 4.550 -0.000 0.000 0.342 148 Y C -2.248 173.732 175.900 0.135 0.000 1.058 148 Y CA -1.981 56.126 58.100 0.013 0.000 1.055 148 Y CB 1.336 39.775 38.460 -0.036 0.000 1.292 148 Y HN -0.262 nan 8.280 nan 0.000 0.476 149 P HA 0.113 nan 4.420 nan 0.000 0.272 149 P C -2.603 174.787 177.300 0.149 0.000 1.240 149 P CA -1.081 62.110 63.100 0.152 0.000 0.791 149 P CB 0.100 31.844 31.700 0.073 0.000 0.978 150 P HA 0.216 nan 4.420 nan 0.000 0.277 150 P C -1.027 176.321 177.300 0.082 0.000 1.240 150 P CA 0.222 63.365 63.100 0.073 0.000 0.798 150 P CB 0.802 32.535 31.700 0.055 0.000 0.979 151 L N 1.724 122.961 121.223 0.024 0.000 2.362 151 L HA 0.571 4.910 4.340 -0.001 0.000 0.271 151 L C 0.724 177.572 176.870 -0.036 0.000 1.002 151 L CA -0.907 53.912 54.840 -0.034 0.000 0.818 151 L CB 2.390 44.400 42.059 -0.082 0.000 1.298 151 L HN 0.347 nan 8.230 nan 0.000 0.420 152 R N 3.105 123.573 120.500 -0.053 0.000 2.265 152 R HA 0.592 4.932 4.340 -0.001 0.000 0.328 152 R C -1.435 174.833 176.300 -0.052 0.000 0.969 152 R CA -0.541 55.539 56.100 -0.034 0.000 0.832 152 R CB 0.821 31.111 30.300 -0.017 0.000 1.139 152 R HN 0.585 nan 8.270 nan 0.000 0.457 153 L N 5.062 126.264 121.223 -0.036 0.000 2.272 153 L HA 0.339 4.678 4.340 -0.001 0.000 0.289 153 L C 0.526 177.392 176.870 -0.007 0.000 1.032 153 L CA -0.250 54.571 54.840 -0.032 0.000 0.810 153 L CB 1.808 43.848 42.059 -0.031 0.000 1.205 153 L HN 0.656 nan 8.230 nan 0.000 0.422 154 Q N 2.595 122.394 119.800 -0.003 0.000 2.157 154 Q HA 0.308 4.648 4.340 -0.001 0.000 0.229 154 Q C 0.766 176.785 176.000 0.031 0.000 0.827 154 Q CA 0.022 55.834 55.803 0.014 0.000 1.055 154 Q CB 1.376 30.117 28.738 0.006 0.000 1.157 154 Q HN 0.967 nan 8.270 nan 0.000 0.482 155 G N 0.135 108.960 108.800 0.042 0.000 2.693 155 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.226 155 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.226 155 G C 0.508 175.453 174.900 0.075 0.000 1.354 155 G CA -0.249 44.893 45.100 0.071 0.000 0.873 155 G HN 0.743 nan 8.290 nan 0.000 0.562 156 G N -2.114 106.741 108.800 0.092 0.000 2.176 156 G HA2 0.091 4.051 3.960 -0.001 0.000 0.232 156 G HA3 0.091 4.051 3.960 -0.001 0.000 0.232 156 G C 0.474 175.423 174.900 0.081 0.000 0.986 156 G CA 0.553 45.694 45.100 0.068 0.000 0.643 156 G HN 2.020 nan 8.290 nan 0.000 0.522 157 F N 3.314 123.268 119.950 0.007 0.000 2.494 157 F HA 0.469 4.995 4.527 -0.000 0.000 0.369 157 F C 1.658 177.464 175.800 0.010 0.000 1.098 157 F CA 1.183 59.186 58.000 0.004 0.000 1.154 157 F CB 1.061 40.062 39.000 0.001 0.000 1.103 157 F HN 0.131 nan 8.300 nan 0.000 0.549 158 T N 1.798 116.071 114.554 -0.469 0.000 2.971 158 T HA 0.598 4.947 4.350 -0.001 0.000 0.252 158 T C 0.871 175.327 174.700 -0.406 0.000 1.022 158 T CA 0.195 62.122 62.100 -0.289 0.000 0.980 158 T CB -0.092 68.671 68.868 -0.174 0.000 1.044 158 T HN 1.142 nan 8.240 nan 0.000 0.501 159 G N -0.030 108.240 108.800 -0.882 0.000 2.337 159 G HA2 0.432 4.391 3.960 -0.001 0.000 0.197 159 G HA3 0.432 4.391 3.960 -0.001 0.000 0.197 159 G C 0.142 174.836 174.900 -0.343 0.000 1.238 159 G CA -0.166 44.623 45.100 -0.518 0.000 1.119 159 G HN 1.781 nan 8.290 nan 0.000 0.514 160 G N -0.883 107.831 108.800 -0.142 0.000 2.472 160 G HA2 0.207 4.167 3.960 -0.001 0.000 0.205 160 G HA3 0.207 4.167 3.960 -0.001 0.000 0.205 160 G C -0.531 174.352 174.900 -0.028 0.000 1.270 160 G CA 0.332 45.381 45.100 -0.086 0.000 0.974 160 G HN 1.670 nan 8.290 nan 0.000 0.542 161 N N 0.273 118.964 118.700 -0.015 0.000 2.408 161 N HA 0.481 5.220 4.740 -0.001 0.000 0.257 161 N C -0.418 175.111 175.510 0.031 0.000 1.064 161 N CA -0.011 53.050 53.050 0.018 0.000 0.952 161 N CB 1.653 40.148 38.487 0.014 0.000 1.093 161 N HN 0.581 nan 8.380 nan 0.000 0.490 162 V N 2.559 122.514 119.914 0.069 0.000 2.444 162 V HA 0.238 4.358 4.120 -0.001 0.000 0.294 162 V C -0.266 175.883 176.094 0.092 0.000 1.022 162 V CA -0.907 61.450 62.300 0.094 0.000 0.850 162 V CB 2.030 33.953 31.823 0.166 0.000 0.992 162 V HN 0.465 nan 8.190 nan 0.000 0.426 163 D N 2.528 122.970 120.400 0.071 0.000 2.193 163 D HA 0.632 5.272 4.640 -0.001 0.000 0.249 163 D C -0.698 175.640 176.300 0.062 0.000 1.034 163 D CA -0.022 54.017 54.000 0.064 0.000 0.902 163 D CB 2.557 43.381 40.800 0.040 0.000 1.182 163 D HN 0.339 nan 8.370 nan 0.000 0.436 164 V N 1.554 121.508 119.914 0.066 0.000 2.851 164 V HA 0.162 4.282 4.120 -0.001 0.000 0.307 164 V C -1.399 174.719 176.094 0.041 0.000 1.129 164 V CA -0.826 61.510 62.300 0.060 0.000 0.932 164 V CB 2.356 34.238 31.823 0.099 0.000 1.024 164 V HN 0.430 nan 8.190 nan 0.000 0.426 165 D N 3.899 124.277 120.400 -0.037 0.000 2.312 165 D HA 0.397 5.036 4.640 -0.001 0.000 0.252 165 D C 0.722 177.075 176.300 0.088 0.000 1.150 165 D CA 0.704 54.629 54.000 -0.125 0.000 0.870 165 D CB 1.934 42.331 40.800 -0.672 0.000 1.153 165 D HN 0.789 nan 8.370 nan 0.000 0.457 166 G N 1.501 110.364 108.800 0.106 0.000 3.453 166 G HA2 -0.045 3.914 3.960 -0.001 0.000 0.263 166 G HA3 -0.045 3.914 3.960 -0.001 0.000 0.263 166 G C 1.173 176.160 174.900 0.146 0.000 1.060 166 G CA 0.213 45.407 45.100 0.157 0.000 0.793 166 G HN 0.460 nan 8.290 nan 0.000 0.532 167 S N -0.689 115.100 115.700 0.148 0.000 2.496 167 S HA 0.066 4.535 4.470 -0.001 0.000 0.224 167 S C 1.745 176.468 174.600 0.206 0.000 0.996 167 S CA 0.869 59.157 58.200 0.148 0.000 0.927 167 S CB 0.310 63.572 63.200 0.104 0.000 0.774 167 S HN 0.022 nan 8.310 nan 0.000 0.524 168 V N -0.173 119.917 119.914 0.294 0.000 3.151 168 V HA 0.400 4.520 4.120 -0.001 0.000 0.241 168 V C 0.763 176.904 176.094 0.078 0.000 1.173 168 V CA 0.704 63.173 62.300 0.281 0.000 1.154 168 V CB 0.732 32.790 31.823 0.392 0.000 0.898 168 V HN 0.514 nan 8.190 nan 0.000 0.473 169 S N -0.753 114.884 115.700 -0.104 0.000 2.546 169 S HA 0.323 4.792 4.470 -0.001 0.000 0.272 169 S C 0.819 175.179 174.600 -0.401 0.000 1.140 169 S CA 0.179 58.109 58.200 -0.449 0.000 0.920 169 S CB 2.030 64.594 63.200 -1.060 0.000 1.083 169 S HN 0.376 nan 8.310 nan 0.000 0.476 170 S N 3.420 118.974 115.700 -0.243 0.000 2.489 170 S HA -0.032 4.438 4.470 -0.001 0.000 0.228 170 S C 1.323 175.818 174.600 -0.176 0.000 0.995 170 S CA 0.401 58.532 58.200 -0.113 0.000 0.934 170 S CB -0.363 62.840 63.200 0.005 0.000 0.771 170 S HN 0.782 nan 8.310 nan 0.000 0.522 171 Q N -0.055 119.535 119.800 -0.351 0.000 2.226 171 Q HA -0.039 4.301 4.340 -0.001 0.000 0.204 171 Q C 1.302 177.251 176.000 -0.085 0.000 0.975 171 Q CA 1.276 56.926 55.803 -0.254 0.000 0.866 171 Q CB -0.365 28.195 28.738 -0.296 0.000 0.915 171 Q HN 0.646 nan 8.270 nan 0.000 0.440 172 F N 0.279 120.224 119.950 -0.009 0.000 2.113 172 F HA -0.162 4.364 4.527 -0.001 0.000 0.297 172 F C 2.076 177.854 175.800 -0.038 0.000 1.103 172 F CA 0.488 58.483 58.000 -0.009 0.000 1.248 172 F CB -1.100 37.926 39.000 0.044 0.000 0.999 172 F HN 0.086 nan 8.300 nan 0.000 0.475 173 L N -0.032 121.268 121.223 0.130 0.000 2.046 173 L HA -0.149 4.190 4.340 -0.001 0.000 0.208 173 L C 2.235 179.055 176.870 -0.083 0.000 1.077 173 L CA 2.073 56.907 54.840 -0.010 0.000 0.747 173 L CB -1.433 40.595 42.059 -0.053 0.000 0.896 173 L HN 0.128 nan 8.230 nan 0.000 0.432 174 T N -0.059 114.460 114.554 -0.059 0.000 2.720 174 T HA -0.209 4.141 4.350 -0.001 0.000 0.268 174 T C 1.886 176.548 174.700 -0.065 0.000 1.037 174 T CA 1.539 63.600 62.100 -0.064 0.000 1.144 174 T CB -0.493 68.353 68.868 -0.038 0.000 0.864 174 T HN 0.579 nan 8.240 nan 0.000 0.444 175 A N 0.891 123.688 122.820 -0.039 0.000 1.902 175 A HA 0.012 4.331 4.320 -0.001 0.000 0.217 175 A C 2.292 179.815 177.584 -0.102 0.000 1.181 175 A CA 1.224 53.227 52.037 -0.058 0.000 0.623 175 A CB -0.781 18.209 19.000 -0.017 0.000 0.818 175 A HN 0.493 nan 8.150 nan 0.000 0.443 176 L N -0.721 120.445 121.223 -0.095 0.000 2.046 176 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 176 L C 2.561 179.366 176.870 -0.110 0.000 1.077 176 L CA 0.996 55.753 54.840 -0.139 0.000 0.747 176 L CB -0.533 41.481 42.059 -0.075 0.000 0.896 176 L HN 0.367 nan 8.230 nan 0.000 0.432 177 L N -0.969 120.190 121.223 -0.106 0.000 2.042 177 L HA -0.247 4.093 4.340 -0.001 0.000 0.210 177 L C 2.612 179.478 176.870 -0.006 0.000 1.076 177 L CA 1.439 56.231 54.840 -0.080 0.000 0.749 177 L CB -0.350 41.623 42.059 -0.142 0.000 0.893 177 L HN 0.324 nan 8.230 nan 0.000 0.432 178 M N -1.586 118.003 119.600 -0.018 0.000 2.319 178 M HA -0.113 4.367 4.480 -0.001 0.000 0.265 178 M C 2.089 178.443 176.300 0.090 0.000 1.068 178 M CA 1.340 56.666 55.300 0.044 0.000 1.118 178 M CB -0.370 32.186 32.600 -0.073 0.000 1.395 178 M HN 0.199 nan 8.290 nan 0.000 0.435 179 T N 0.676 115.213 114.554 -0.028 0.000 2.894 179 T HA 0.076 4.425 4.350 -0.001 0.000 0.258 179 T C 1.974 176.661 174.700 -0.022 0.000 1.043 179 T CA 1.202 63.259 62.100 -0.071 0.000 1.141 179 T CB -0.159 68.549 68.868 -0.266 0.000 0.873 179 T HN 0.437 nan 8.240 nan 0.000 0.449 180 A N 2.302 125.115 122.820 -0.010 0.000 1.948 180 A HA -0.071 4.249 4.320 -0.001 0.000 0.220 180 A C 0.036 177.686 177.584 0.110 0.000 1.177 180 A CA 1.499 53.618 52.037 0.137 0.000 0.636 180 A CB -1.657 17.435 19.000 0.152 0.000 0.815 180 A HN 0.369 nan 8.150 nan 0.000 0.449 181 P HA -0.122 nan 4.420 nan 0.000 0.219 181 P C 0.995 178.263 177.300 -0.054 0.000 1.146 181 P CA 0.889 63.962 63.100 -0.046 0.000 0.808 181 P CB -0.095 31.497 31.700 -0.180 0.000 0.779 182 L N -2.706 118.512 121.223 -0.008 0.000 2.592 182 L HA 0.229 4.569 4.340 -0.001 0.000 0.227 182 L C 1.127 178.045 176.870 0.080 0.000 1.127 182 L CA -0.467 54.385 54.840 0.021 0.000 0.884 182 L CB -0.630 41.459 42.059 0.049 0.000 1.065 182 L HN -0.123 nan 8.230 nan 0.000 0.457 183 A N 1.331 124.228 122.820 0.129 0.000 2.371 183 A HA 0.308 4.628 4.320 -0.001 0.000 0.257 183 A C -1.199 176.432 177.584 0.078 0.000 1.089 183 A CA -1.071 51.066 52.037 0.167 0.000 0.794 183 A CB 0.018 19.194 19.000 0.293 0.000 1.029 183 A HN -0.035 nan 8.150 nan 0.000 0.488 184 P HA -0.075 nan 4.420 nan 0.000 0.217 184 P C 0.109 177.411 177.300 0.004 0.000 1.150 184 P CA 1.197 64.310 63.100 0.021 0.000 0.832 184 P CB 0.198 31.906 31.700 0.013 0.000 0.787 185 E N 0.433 120.625 120.200 -0.013 0.000 2.232 185 E HA 0.227 4.577 4.350 -0.001 0.000 0.265 185 E C -0.195 176.401 176.600 -0.006 0.000 1.001 185 E CA -0.779 55.607 56.400 -0.023 0.000 0.870 185 E CB 0.509 30.177 29.700 -0.054 0.000 1.175 185 E HN 0.017 nan 8.360 nan 0.000 0.407 186 D N 0.799 121.198 120.400 -0.003 0.000 2.382 186 D HA 0.213 4.853 4.640 -0.001 0.000 0.240 186 D C -0.410 175.902 176.300 0.019 0.000 1.146 186 D CA 0.463 54.472 54.000 0.015 0.000 0.897 186 D CB 0.658 41.465 40.800 0.011 0.000 1.197 186 D HN 0.108 nan 8.370 nan 0.000 0.432 187 T N 0.417 115.003 114.554 0.055 0.000 2.861 187 T HA 0.450 4.800 4.350 -0.001 0.000 0.287 187 T C -0.467 174.287 174.700 0.090 0.000 1.003 187 T CA -0.663 61.484 62.100 0.080 0.000 0.977 187 T CB 1.605 70.572 68.868 0.165 0.000 0.996 187 T HN -0.024 nan 8.240 nan 0.000 0.448 188 V N 4.388 124.353 119.914 0.084 0.000 2.350 188 V HA 0.453 4.572 4.120 -0.001 0.000 0.285 188 V C -0.302 175.866 176.094 0.122 0.000 1.014 188 V CA -0.741 61.616 62.300 0.094 0.000 0.831 188 V CB 1.079 32.938 31.823 0.061 0.000 1.000 188 V HN 0.796 nan 8.190 nan 0.000 0.433 189 I N 5.620 126.294 120.570 0.173 0.000 2.304 189 I HA 0.468 4.637 4.170 -0.001 0.000 0.291 189 I C 0.450 176.701 176.117 0.223 0.000 1.018 189 I CA -0.191 61.224 61.300 0.192 0.000 1.260 189 I CB 0.803 38.918 38.000 0.191 0.000 1.390 189 I HN 0.521 nan 8.210 nan 0.000 0.475 190 R N 7.397 127.993 120.500 0.159 0.000 2.294 190 R HA 0.444 4.783 4.340 -0.001 0.000 0.319 190 R C -0.793 175.595 176.300 0.146 0.000 0.984 190 R CA -0.767 55.418 56.100 0.141 0.000 0.861 190 R CB 0.941 31.294 30.300 0.088 0.000 1.104 190 R HN 0.459 nan 8.270 nan 0.000 0.451 191 I N 5.503 126.179 120.570 0.175 0.000 2.416 191 I HA 0.039 4.208 4.170 -0.001 0.000 0.288 191 I C 1.313 177.489 176.117 0.099 0.000 1.051 191 I CA 0.125 61.521 61.300 0.160 0.000 1.375 191 I CB 1.257 39.387 38.000 0.217 0.000 1.407 191 I HN 0.748 nan 8.210 nan 0.000 0.516 192 K N 3.841 124.280 120.400 0.065 0.000 2.026 192 K HA -0.070 4.250 4.320 -0.001 0.000 0.208 192 K C 1.295 177.916 176.600 0.035 0.000 1.048 192 K CA 1.494 57.801 56.287 0.033 0.000 0.929 192 K CB 0.166 32.662 32.500 -0.005 0.000 0.713 192 K HN 0.909 nan 8.250 nan 0.000 0.439 193 G N -0.095 108.730 108.800 0.042 0.000 3.481 193 G HA2 0.052 4.012 3.960 -0.001 0.000 0.180 193 G HA3 0.052 4.012 3.960 -0.001 0.000 0.180 193 G C -1.168 173.767 174.900 0.059 0.000 1.345 193 G CA -0.495 44.630 45.100 0.042 0.000 1.104 193 G HN -0.011 nan 8.290 nan 0.000 0.749 194 D N 0.443 120.875 120.400 0.054 0.000 2.357 194 D HA 0.474 5.114 4.640 -0.001 0.000 0.242 194 D C -0.600 175.752 176.300 0.087 0.000 1.153 194 D CA 0.134 54.172 54.000 0.064 0.000 0.918 194 D CB 2.105 42.938 40.800 0.055 0.000 1.181 194 D HN 0.200 nan 8.370 nan 0.000 0.435 195 L N 2.214 123.493 121.223 0.093 0.000 2.372 195 L HA 0.329 4.669 4.340 -0.001 0.000 0.274 195 L C -0.654 176.271 176.870 0.092 0.000 0.988 195 L CA -0.808 54.099 54.840 0.111 0.000 0.833 195 L CB 1.367 43.515 42.059 0.149 0.000 1.236 195 L HN 0.207 nan 8.230 nan 0.000 0.410 196 V N 1.686 121.657 119.914 0.094 0.000 2.973 196 V HA 0.654 4.774 4.120 -0.001 0.000 0.314 196 V C 0.789 176.945 176.094 0.103 0.000 1.066 196 V CA -0.136 62.220 62.300 0.094 0.000 1.021 196 V CB 1.194 33.076 31.823 0.098 0.000 1.076 196 V HN 0.907 nan 8.190 nan 0.000 0.462 197 S N -0.096 115.684 115.700 0.133 0.000 3.614 197 S HA -0.227 4.242 4.470 -0.001 0.000 0.360 197 S C 1.301 176.041 174.600 0.233 0.000 1.023 197 S CA 1.339 59.669 58.200 0.216 0.000 1.114 197 S CB -1.474 61.828 63.200 0.170 0.000 0.907 197 S HN 1.104 nan 8.310 nan 0.000 0.470 198 K N 1.460 121.941 120.400 0.135 0.000 2.074 198 K HA -0.159 4.160 4.320 -0.001 0.000 0.209 198 K C -1.077 175.575 176.600 0.086 0.000 1.048 198 K CA 1.896 58.228 56.287 0.076 0.000 0.926 198 K CB -0.556 31.905 32.500 -0.064 0.000 0.713 198 K HN 0.381 nan 8.250 nan 0.000 0.444 199 P HA -0.144 nan 4.420 nan 0.000 0.219 199 P C 0.330 177.583 177.300 -0.079 0.000 1.146 199 P CA 1.158 64.234 63.100 -0.039 0.000 0.808 199 P CB -0.054 31.573 31.700 -0.122 0.000 0.779 200 Y N -1.310 119.025 120.300 0.058 0.000 2.439 200 Y HA -0.102 4.448 4.550 -0.001 0.000 0.292 200 Y C 2.184 178.116 175.900 0.054 0.000 1.130 200 Y CA 0.439 58.565 58.100 0.043 0.000 1.254 200 Y CB -0.680 37.788 38.460 0.013 0.000 1.000 200 Y HN -0.078 nan 8.280 nan 0.000 0.554 201 I N -0.078 120.620 120.570 0.214 0.000 2.315 201 I HA -0.235 3.935 4.170 -0.001 0.000 0.248 201 I C 1.567 177.797 176.117 0.190 0.000 1.117 201 I CA 1.265 62.677 61.300 0.187 0.000 1.404 201 I CB -0.989 37.178 38.000 0.279 0.000 1.071 201 I HN 0.245 nan 8.210 nan 0.000 0.419 202 D N 0.826 121.345 120.400 0.199 0.000 2.178 202 D HA -0.088 4.551 4.640 -0.001 0.000 0.202 202 D C 2.379 178.742 176.300 0.105 0.000 0.974 202 D CA 0.951 55.052 54.000 0.168 0.000 0.841 202 D CB 0.062 40.950 40.800 0.147 0.000 0.953 202 D HN 0.319 nan 8.370 nan 0.000 0.478 203 I N 0.896 121.512 120.570 0.078 0.000 2.179 203 I HA -0.234 3.935 4.170 -0.001 0.000 0.242 203 I C 2.279 178.444 176.117 0.081 0.000 1.088 203 I CA 1.028 62.370 61.300 0.071 0.000 1.357 203 I CB -0.426 37.614 38.000 0.066 0.000 1.051 203 I HN -0.031 nan 8.210 nan 0.000 0.409 204 T N 1.569 116.171 114.554 0.079 0.000 2.684 204 T HA -0.153 4.197 4.350 -0.001 0.000 0.267 204 T C 1.951 176.684 174.700 0.053 0.000 1.036 204 T CA 1.362 63.489 62.100 0.045 0.000 1.148 204 T CB -0.366 68.516 68.868 0.024 0.000 0.863 204 T HN 0.246 nan 8.240 nan 0.000 0.436 205 L N 1.391 122.659 121.223 0.076 0.000 2.141 205 L HA -0.086 4.253 4.340 -0.001 0.000 0.209 205 L C 2.753 179.680 176.870 0.094 0.000 1.094 205 L CA 0.866 55.758 54.840 0.087 0.000 0.763 205 L CB -0.621 41.498 42.059 0.099 0.000 0.908 205 L HN 0.291 nan 8.230 nan 0.000 0.437 206 N N 0.743 119.500 118.700 0.095 0.000 2.084 206 N HA -0.182 4.557 4.740 -0.001 0.000 0.190 206 N C 1.871 177.454 175.510 0.121 0.000 1.030 206 N CA 1.414 54.526 53.050 0.103 0.000 0.849 206 N CB -0.008 38.541 38.487 0.103 0.000 1.012 206 N HN 0.171 nan 8.380 nan 0.000 0.423 207 L N 0.959 122.247 121.223 0.108 0.000 2.046 207 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 207 L C 2.511 179.478 176.870 0.162 0.000 1.077 207 L CA 1.125 56.031 54.840 0.110 0.000 0.747 207 L CB -0.991 41.079 42.059 0.018 0.000 0.896 207 L HN 0.298 nan 8.230 nan 0.000 0.432 208 M N -0.606 119.064 119.600 0.117 0.000 2.108 208 M HA -0.273 4.207 4.480 -0.001 0.000 0.261 208 M C 2.252 178.707 176.300 0.257 0.000 1.066 208 M CA 1.724 57.147 55.300 0.204 0.000 1.107 208 M CB -0.356 32.364 32.600 0.200 0.000 1.356 208 M HN 0.114 nan 8.290 nan 0.000 0.406 209 K N -0.261 120.241 120.400 0.171 0.000 2.097 209 K HA -0.130 4.189 4.320 -0.001 0.000 0.206 209 K C 1.739 178.411 176.600 0.119 0.000 1.049 209 K CA 1.645 58.013 56.287 0.134 0.000 0.933 209 K CB -0.042 32.515 32.500 0.095 0.000 0.717 209 K HN 0.212 nan 8.250 nan 0.000 0.442 210 T N 0.303 114.925 114.554 0.114 0.000 2.759 210 T HA -0.114 4.235 4.350 -0.001 0.000 0.269 210 T C 0.884 175.505 174.700 -0.131 0.000 1.042 210 T CA 1.215 63.315 62.100 -0.002 0.000 1.140 210 T CB -0.185 68.659 68.868 -0.040 0.000 0.864 210 T HN 0.183 nan 8.240 nan 0.000 0.455 211 F N 0.597 120.552 119.950 0.008 0.000 2.664 211 F HA 0.384 4.910 4.527 -0.001 0.000 0.301 211 F C 1.707 177.628 175.800 0.202 0.000 1.126 211 F CA -0.130 57.913 58.000 0.070 0.000 1.373 211 F CB -0.053 38.927 39.000 -0.034 0.000 1.042 211 F HN 0.260 nan 8.300 nan 0.000 0.535 212 G N 0.235 109.165 108.800 0.216 0.000 2.141 212 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.242 212 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.242 212 G C -0.323 174.646 174.900 0.115 0.000 0.982 212 G CA 0.014 45.199 45.100 0.143 0.000 0.662 212 G HN 0.166 nan 8.290 nan 0.000 0.527 213 V N 0.289 120.302 119.914 0.164 0.000 2.588 213 V HA 0.689 4.808 4.120 -0.001 0.000 0.304 213 V C -0.063 176.089 176.094 0.096 0.000 1.042 213 V CA -0.784 61.567 62.300 0.084 0.000 0.877 213 V CB 1.931 33.766 31.823 0.020 0.000 0.996 213 V HN 0.362 nan 8.190 nan 0.000 0.425 214 E N 3.287 123.519 120.200 0.054 0.000 2.336 214 E HA 0.772 5.122 4.350 -0.001 0.000 0.267 214 E C -1.295 175.331 176.600 0.044 0.000 0.906 214 E CA -0.746 55.686 56.400 0.053 0.000 0.781 214 E CB 2.987 32.709 29.700 0.037 0.000 1.261 214 E HN 0.642 nan 8.360 nan 0.000 0.436 215 I N -2.625 117.977 120.570 0.054 0.000 3.264 215 I HA 0.446 4.615 4.170 -0.001 0.000 0.315 215 I C -0.678 175.462 176.117 0.039 0.000 1.154 215 I CA -0.900 60.436 61.300 0.060 0.000 0.962 215 I CB 1.670 39.734 38.000 0.106 0.000 1.265 215 I HN 0.347 nan 8.210 nan 0.000 0.463 216 E N 2.154 122.371 120.200 0.027 0.000 2.081 216 E HA 0.231 4.581 4.350 -0.001 0.000 0.281 216 E C -1.118 175.422 176.600 -0.100 0.000 0.986 216 E CA -0.455 55.922 56.400 -0.037 0.000 0.796 216 E CB 0.537 30.213 29.700 -0.041 0.000 1.085 216 E HN 0.602 nan 8.360 nan 0.000 0.398 217 N N 4.325 122.906 118.700 -0.199 0.000 2.439 217 N HA 0.033 4.773 4.740 -0.001 0.000 0.249 217 N C -1.172 174.011 175.510 -0.546 0.000 1.003 217 N CA -0.125 52.633 53.050 -0.487 0.000 0.942 217 N CB 0.867 39.077 38.487 -0.462 0.000 1.115 217 N HN 0.449 nan 8.380 nan 0.000 0.505 218 Q N 2.867 122.323 119.800 -0.574 0.000 2.571 218 Q HA 0.154 4.493 4.340 -0.001 0.000 0.222 218 Q C -0.634 175.180 176.000 -0.309 0.000 1.167 218 Q CA -0.435 55.133 55.803 -0.391 0.000 0.966 218 Q CB -0.110 28.506 28.738 -0.205 0.000 1.274 218 Q HN 0.704 nan 8.270 nan 0.000 0.552 219 H N 0.059 118.996 119.070 -0.221 0.000 2.690 219 H HA -0.266 4.289 4.556 -0.001 0.000 0.309 219 H C -0.811 174.575 175.328 0.097 0.000 1.138 219 H CA 0.868 56.902 56.048 -0.024 0.000 1.142 219 H CB -2.036 27.734 29.762 0.013 0.000 1.410 219 H HN 0.772 nan 8.280 nan 0.000 0.409 220 Y N -3.074 117.091 120.300 -0.225 0.000 4.538 220 Y HA -0.392 4.157 4.550 -0.001 0.000 0.225 220 Y C 1.578 177.459 175.900 -0.032 0.000 1.074 220 Y CA 1.342 59.356 58.100 -0.145 0.000 1.942 220 Y CB -1.403 37.133 38.460 0.127 0.000 1.618 220 Y HN 0.544 nan 8.280 nan 0.000 0.642 221 Q N -0.239 119.548 119.800 -0.021 0.000 2.396 221 Q HA 0.149 4.489 4.340 -0.001 0.000 0.220 221 Q C 0.656 176.675 176.000 0.031 0.000 0.900 221 Q CA 0.866 56.707 55.803 0.064 0.000 0.925 221 Q CB 0.916 29.690 28.738 0.059 0.000 1.065 221 Q HN 0.707 nan 8.270 nan 0.000 0.535 222 Q N -0.618 119.081 119.800 -0.168 0.000 2.320 222 Q HA 0.443 4.782 4.340 -0.001 0.000 0.272 222 Q C -1.820 173.985 176.000 -0.325 0.000 1.023 222 Q CA -0.318 55.441 55.803 -0.073 0.000 0.855 222 Q CB 1.576 30.297 28.738 -0.028 0.000 1.367 222 Q HN -0.095 nan 8.270 nan 0.000 0.406 223 F N 2.079 122.036 119.950 0.011 0.000 2.477 223 F HA 0.495 5.021 4.527 -0.001 0.000 0.335 223 F C -0.530 175.274 175.800 0.007 0.000 1.130 223 F CA -0.827 57.169 58.000 -0.008 0.000 0.948 223 F CB 1.989 40.988 39.000 -0.000 0.000 1.154 223 F HN 0.238 nan 8.300 nan 0.000 0.439 224 V N 4.738 124.724 119.914 0.119 0.000 2.370 224 V HA 0.528 4.647 4.120 -0.001 0.000 0.279 224 V C -0.368 175.777 176.094 0.086 0.000 1.029 224 V CA -0.696 61.653 62.300 0.081 0.000 0.870 224 V CB 1.456 33.296 31.823 0.028 0.000 0.984 224 V HN 0.515 nan 8.190 nan 0.000 0.451 225 V N 5.535 125.501 119.914 0.087 0.000 2.495 225 V HA 0.510 4.629 4.120 -0.001 0.000 0.298 225 V C -0.065 176.058 176.094 0.048 0.000 1.031 225 V CA -1.131 61.213 62.300 0.072 0.000 0.871 225 V CB 2.038 33.916 31.823 0.090 0.000 0.988 225 V HN 0.680 nan 8.190 nan 0.000 0.432 226 K N 3.060 123.477 120.400 0.027 0.000 2.234 226 K HA 0.503 4.822 4.320 -0.001 0.000 0.282 226 K C 0.486 177.092 176.600 0.010 0.000 1.039 226 K CA -0.029 56.267 56.287 0.014 0.000 0.928 226 K CB 1.726 34.227 32.500 0.002 0.000 1.039 226 K HN 0.883 nan 8.250 nan 0.000 0.470 227 G N -0.516 108.292 108.800 0.014 0.000 2.588 227 G HA2 0.409 4.369 3.960 -0.001 0.000 0.281 227 G HA3 0.409 4.369 3.960 -0.001 0.000 0.281 227 G C 0.578 175.476 174.900 -0.002 0.000 1.236 227 G CA -0.035 45.074 45.100 0.016 0.000 0.969 227 G HN 0.675 nan 8.290 nan 0.000 0.504 228 G N -1.701 107.100 108.800 0.002 0.000 2.153 228 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.252 228 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.252 228 G C 0.409 175.293 174.900 -0.026 0.000 0.994 228 G CA 0.838 45.935 45.100 -0.004 0.000 0.698 228 G HN 0.766 nan 8.290 nan 0.000 0.521 229 Q N -0.448 119.319 119.800 -0.056 0.000 2.185 229 Q HA 0.707 5.047 4.340 -0.001 0.000 0.225 229 Q C -0.219 175.711 176.000 -0.117 0.000 0.983 229 Q CA -0.185 55.558 55.803 -0.101 0.000 0.950 229 Q CB 1.375 30.020 28.738 -0.156 0.000 1.176 229 Q HN 0.239 nan 8.270 nan 0.000 0.510 230 S N -0.135 115.486 115.700 -0.133 0.000 2.547 230 S HA 0.415 4.884 4.470 -0.001 0.000 0.281 230 S C -1.509 173.057 174.600 -0.057 0.000 1.118 230 S CA -0.676 57.497 58.200 -0.046 0.000 0.947 230 S CB 0.610 63.802 63.200 -0.013 0.000 1.053 230 S HN 0.323 nan 8.310 nan 0.000 0.482 231 Y N 1.912 122.314 120.300 0.169 0.000 2.304 231 Y HA 0.437 4.987 4.550 -0.001 0.000 0.327 231 Y C 0.854 176.896 175.900 0.236 0.000 1.209 231 Y CA -0.089 58.122 58.100 0.184 0.000 1.299 231 Y CB 0.668 39.222 38.460 0.156 0.000 1.249 231 Y HN 0.393 nan 8.280 nan 0.000 0.519 232 Q N 0.926 120.957 119.800 0.386 0.000 2.356 232 Q HA 0.241 4.581 4.340 -0.001 0.000 0.270 232 Q C -0.531 175.573 176.000 0.173 0.000 1.058 232 Q CA -0.842 55.106 55.803 0.242 0.000 0.802 232 Q CB 2.290 31.098 28.738 0.117 0.000 1.303 232 Q HN 0.695 nan 8.270 nan 0.000 0.444 233 S N 3.000 118.780 115.700 0.133 0.000 2.552 233 S HA 0.113 4.583 4.470 -0.001 0.000 0.289 233 S C -1.379 173.134 174.600 -0.145 0.000 1.304 233 S CA -0.576 57.630 58.200 0.011 0.000 1.063 233 S CB 0.350 63.585 63.200 0.059 0.000 0.848 233 S HN 0.402 nan 8.310 nan 0.000 0.499 234 P HA 0.256 nan 4.420 nan 0.000 0.255 234 P C 1.046 178.274 177.300 -0.120 0.000 1.248 234 P CA 0.665 63.591 63.100 -0.290 0.000 0.807 234 P CB -0.450 30.941 31.700 -0.516 0.000 1.150 235 G N 0.395 109.151 108.800 -0.074 0.000 2.596 235 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.258 235 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.258 235 G C -0.359 174.549 174.900 0.015 0.000 1.207 235 G CA 0.024 45.116 45.100 -0.013 0.000 0.954 235 G HN 0.287 nan 8.290 nan 0.000 0.551 236 T N 1.095 115.667 114.554 0.029 0.000 2.767 236 T HA 0.555 4.904 4.350 -0.001 0.000 0.288 236 T C -0.980 173.776 174.700 0.094 0.000 0.963 236 T CA 0.353 62.486 62.100 0.054 0.000 1.019 236 T CB 1.405 70.290 68.868 0.028 0.000 0.923 236 T HN 0.728 nan 8.240 nan 0.000 0.468 237 Y N 3.565 123.848 120.300 -0.029 0.000 2.391 237 Y HA 0.590 5.140 4.550 -0.001 0.000 0.341 237 Y C -1.282 174.618 175.900 0.000 0.000 0.965 237 Y CA -1.537 56.546 58.100 -0.027 0.000 1.067 237 Y CB 1.124 39.563 38.460 -0.036 0.000 1.199 237 Y HN 0.513 nan 8.280 nan 0.000 0.450 238 L N 7.325 128.212 121.223 -0.561 0.000 2.257 238 L HA 0.541 4.881 4.340 -0.001 0.000 0.290 238 L C -1.214 175.344 176.870 -0.520 0.000 1.044 238 L CA -0.427 54.181 54.840 -0.386 0.000 0.810 238 L CB 0.786 42.687 42.059 -0.263 0.000 1.193 238 L HN 0.504 nan 8.230 nan 0.000 0.425 239 V N 5.597 125.404 119.914 -0.179 0.000 2.508 239 V HA 0.134 4.253 4.120 -0.001 0.000 0.281 239 V C 0.670 176.730 176.094 -0.057 0.000 1.041 239 V CA -0.501 61.780 62.300 -0.031 0.000 1.016 239 V CB 0.454 32.322 31.823 0.076 0.000 0.984 239 V HN 0.766 nan 8.190 nan 0.000 0.478 240 E N 2.831 123.010 120.200 -0.036 0.000 2.418 240 E HA 0.242 4.591 4.350 -0.001 0.000 0.261 240 E C 0.751 177.345 176.600 -0.010 0.000 1.070 240 E CA 0.201 56.587 56.400 -0.023 0.000 0.931 240 E CB 0.585 30.287 29.700 0.004 0.000 0.954 240 E HN 0.860 nan 8.360 nan 0.000 0.439 241 G N 1.293 110.086 108.800 -0.011 0.000 2.594 241 G HA2 -0.062 3.897 3.960 -0.001 0.000 0.243 241 G HA3 -0.062 3.897 3.960 -0.001 0.000 0.243 241 G C -0.291 174.601 174.900 -0.012 0.000 1.229 241 G CA -0.455 44.634 45.100 -0.018 0.000 0.843 241 G HN 0.498 nan 8.290 nan 0.000 0.578 242 D N 1.094 121.471 120.400 -0.038 0.000 2.339 242 D HA 0.267 4.907 4.640 -0.001 0.000 0.256 242 D C 1.296 177.589 176.300 -0.012 0.000 1.214 242 D CA 0.110 54.094 54.000 -0.027 0.000 0.877 242 D CB 1.403 42.165 40.800 -0.065 0.000 1.111 242 D HN 0.271 nan 8.370 nan 0.000 0.478 243 A N 3.177 125.996 122.820 -0.002 0.000 2.014 243 A HA -0.099 4.221 4.320 -0.001 0.000 0.218 243 A C 2.187 179.718 177.584 -0.088 0.000 1.163 243 A CA 0.927 52.956 52.037 -0.012 0.000 0.652 243 A CB 0.080 19.088 19.000 0.014 0.000 0.808 243 A HN 0.551 nan 8.150 nan 0.000 0.449 244 S N 0.095 115.747 115.700 -0.081 0.000 2.371 244 S HA -0.087 4.383 4.470 -0.001 0.000 0.224 244 S C 2.199 176.668 174.600 -0.218 0.000 1.029 244 S CA 1.311 59.409 58.200 -0.170 0.000 0.978 244 S CB -0.245 62.925 63.200 -0.049 0.000 0.833 244 S HN 0.611 nan 8.310 nan 0.000 0.466 245 S N 1.935 117.625 115.700 -0.016 0.000 2.399 245 S HA -0.020 4.450 4.470 -0.001 0.000 0.231 245 S C 2.176 176.870 174.600 0.156 0.000 1.022 245 S CA 0.900 59.216 58.200 0.194 0.000 0.983 245 S CB -0.423 62.775 63.200 -0.003 0.000 0.803 245 S HN 0.602 nan 8.310 nan 0.000 0.480 246 A N 1.809 124.650 122.820 0.036 0.000 2.015 246 A HA -0.082 4.238 4.320 -0.001 0.000 0.219 246 A C 2.313 179.814 177.584 -0.138 0.000 1.163 246 A CA 1.696 53.799 52.037 0.110 0.000 0.646 246 A CB -0.898 18.147 19.000 0.075 0.000 0.806 246 A HN 0.620 nan 8.150 nan 0.000 0.448 247 S N -0.642 114.721 115.700 -0.562 0.000 2.387 247 S HA -0.269 4.200 4.470 -0.001 0.000 0.230 247 S C 1.827 175.976 174.600 -0.753 0.000 1.035 247 S CA 1.701 59.288 58.200 -1.021 0.000 1.014 247 S CB -0.939 61.147 63.200 -1.857 0.000 0.836 247 S HN 0.578 nan 8.310 nan 0.000 0.466 248 Y N 1.269 121.310 120.300 -0.432 0.000 2.181 248 Y HA 0.056 4.606 4.550 -0.001 0.000 0.288 248 Y C 2.179 177.913 175.900 -0.277 0.000 1.146 248 Y CA 0.812 58.666 58.100 -0.409 0.000 1.164 248 Y CB -1.060 37.055 38.460 -0.575 0.000 0.982 248 Y HN 0.266 nan 8.280 nan 0.000 0.515 249 F N -0.838 119.226 119.950 0.190 0.000 2.206 249 F HA -0.078 4.448 4.527 -0.001 0.000 0.298 249 F C 2.120 177.966 175.800 0.077 0.000 1.090 249 F CA 0.705 58.777 58.000 0.120 0.000 1.323 249 F CB -1.243 37.823 39.000 0.111 0.000 1.028 249 F HN -0.037 nan 8.300 nan 0.000 0.492 250 L N -0.237 121.120 121.223 0.223 0.000 2.056 250 L HA -0.146 4.194 4.340 -0.001 0.000 0.207 250 L C 2.728 179.694 176.870 0.160 0.000 1.078 250 L CA 1.172 56.116 54.840 0.174 0.000 0.749 250 L CB -1.090 41.089 42.059 0.200 0.000 0.901 250 L HN 0.147 nan 8.230 nan 0.000 0.433 251 A N 0.150 123.100 122.820 0.215 0.000 1.933 251 A HA -0.155 4.165 4.320 -0.001 0.000 0.218 251 A C 2.554 180.179 177.584 0.068 0.000 1.175 251 A CA 1.638 53.777 52.037 0.170 0.000 0.628 251 A CB -0.682 18.461 19.000 0.238 0.000 0.814 251 A HN 0.393 nan 8.150 nan 0.000 0.444 252 A N -0.068 122.799 122.820 0.077 0.000 1.908 252 A HA 0.097 4.417 4.320 -0.001 0.000 0.218 252 A C 2.482 180.064 177.584 -0.003 0.000 1.181 252 A CA 2.215 54.270 52.037 0.031 0.000 0.627 252 A CB -0.956 18.103 19.000 0.099 0.000 0.818 252 A HN 1.068 nan 8.150 nan 0.000 0.445 253 A N -0.332 122.507 122.820 0.031 0.000 1.930 253 A HA 0.230 4.550 4.320 -0.001 0.000 0.217 253 A C 2.468 180.039 177.584 -0.020 0.000 1.175 253 A CA 1.822 53.862 52.037 0.004 0.000 0.627 253 A CB -0.925 18.086 19.000 0.018 0.000 0.815 253 A HN 1.074 nan 8.150 nan 0.000 0.443 254 A N -0.310 122.500 122.820 -0.016 0.000 1.972 254 A HA -0.038 4.282 4.320 -0.001 0.000 0.219 254 A C 2.044 179.598 177.584 -0.051 0.000 1.169 254 A CA 1.568 53.587 52.037 -0.029 0.000 0.635 254 A CB -0.491 18.492 19.000 -0.028 0.000 0.810 254 A HN 0.514 nan 8.150 nan 0.000 0.446 255 I N -2.490 118.021 120.570 -0.097 0.000 2.494 255 I HA 0.034 4.204 4.170 -0.001 0.000 0.250 255 I C 1.688 177.687 176.117 -0.197 0.000 1.112 255 I CA 1.182 62.359 61.300 -0.205 0.000 1.438 255 I CB 0.243 37.967 38.000 -0.459 0.000 1.111 255 I HN 0.063 nan 8.210 nan 0.000 0.431 256 K N 0.590 120.900 120.400 -0.151 0.000 2.644 256 K HA 0.308 4.627 4.320 -0.001 0.000 0.198 256 K C 0.095 176.660 176.600 -0.057 0.000 1.113 256 K CA -0.123 56.098 56.287 -0.111 0.000 1.073 256 K CB 0.716 33.133 32.500 -0.138 0.000 0.811 256 K HN 0.148 nan 8.250 nan 0.000 0.508 257 G N -0.663 108.111 108.800 -0.043 0.000 2.543 257 G HA2 0.547 4.506 3.960 -0.001 0.000 0.290 257 G HA3 0.547 4.506 3.960 -0.001 0.000 0.290 257 G C 0.110 174.997 174.900 -0.022 0.000 1.310 257 G CA -0.029 45.055 45.100 -0.026 0.000 1.025 257 G HN 0.430 nan 8.290 nan 0.000 0.502 258 G N -2.057 106.732 108.800 -0.018 0.000 2.829 258 G HA2 0.208 4.168 3.960 -0.001 0.000 0.628 258 G HA3 0.208 4.168 3.960 -0.001 0.000 0.628 258 G C -0.318 174.571 174.900 -0.019 0.000 1.412 258 G CA -0.022 45.066 45.100 -0.019 0.000 0.864 258 G HN 1.210 nan 8.290 nan 0.000 0.544 259 T N 0.091 114.631 114.554 -0.023 0.000 2.841 259 T HA 0.599 4.948 4.350 -0.001 0.000 0.285 259 T C -0.221 174.463 174.700 -0.027 0.000 0.991 259 T CA -0.379 61.705 62.100 -0.026 0.000 0.966 259 T CB 1.931 70.777 68.868 -0.037 0.000 0.962 259 T HN 1.041 nan 8.240 nan 0.000 0.438 260 V N 3.865 123.771 119.914 -0.013 0.000 2.487 260 V HA 0.543 4.663 4.120 -0.001 0.000 0.298 260 V C -0.084 176.006 176.094 -0.007 0.000 1.028 260 V CA -0.874 61.424 62.300 -0.004 0.000 0.860 260 V CB 1.832 33.685 31.823 0.049 0.000 0.991 260 V HN 0.737 nan 8.190 nan 0.000 0.427 261 K N 4.417 124.795 120.400 -0.037 0.000 2.244 261 K HA 0.765 5.085 4.320 -0.001 0.000 0.260 261 K C -0.940 175.655 176.600 -0.007 0.000 0.951 261 K CA -0.546 55.720 56.287 -0.036 0.000 0.826 261 K CB 2.007 34.424 32.500 -0.139 0.000 1.108 261 K HN 0.594 nan 8.250 nan 0.000 0.433 262 V N 0.581 120.526 119.914 0.053 0.000 2.513 262 V HA 0.612 4.731 4.120 -0.001 0.000 0.299 262 V C -0.272 175.875 176.094 0.089 0.000 1.035 262 V CA -0.564 61.773 62.300 0.061 0.000 0.889 262 V CB 1.088 32.981 31.823 0.116 0.000 0.988 262 V HN 0.901 nan 8.190 nan 0.000 0.440 263 T N 0.504 115.093 114.554 0.058 0.000 2.918 263 T HA 0.822 5.172 4.350 -0.001 0.000 0.286 263 T C 0.881 175.611 174.700 0.050 0.000 1.026 263 T CA 0.089 62.235 62.100 0.078 0.000 1.031 263 T CB 1.373 70.272 68.868 0.051 0.000 1.046 263 T HN 2.406 nan 8.240 nan 0.000 0.479 264 G N 1.200 110.031 108.800 0.050 0.000 2.231 264 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.206 264 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.206 264 G C -0.041 174.875 174.900 0.026 0.000 0.996 264 G CA -0.075 45.039 45.100 0.023 0.000 0.645 264 G HN 1.495 nan 8.290 nan 0.000 0.498 265 I N -2.402 118.197 120.570 0.049 0.000 2.865 265 I HA 0.946 5.115 4.170 -0.001 0.000 0.302 265 I C 0.227 176.388 176.117 0.074 0.000 1.140 265 I CA -0.709 60.625 61.300 0.058 0.000 1.021 265 I CB 2.029 40.069 38.000 0.067 0.000 1.233 265 I HN 0.646 nan 8.210 nan 0.000 0.427 266 G N 3.246 112.105 108.800 0.098 0.000 2.706 266 G HA2 0.303 4.263 3.960 -0.001 0.000 0.307 266 G HA3 0.303 4.263 3.960 -0.001 0.000 0.307 266 G C 0.083 175.117 174.900 0.223 0.000 1.307 266 G CA -0.443 44.731 45.100 0.123 0.000 0.790 266 G HN 0.914 nan 8.290 nan 0.000 0.503 267 R N -0.480 120.136 120.500 0.192 0.000 2.193 267 R HA -0.025 4.314 4.340 -0.001 0.000 0.229 267 R C 0.990 177.246 176.300 -0.074 0.000 1.110 267 R CA 1.888 57.983 56.100 -0.009 0.000 0.988 267 R CB -0.377 29.843 30.300 -0.133 0.000 0.871 267 R HN 0.403 nan 8.270 nan 0.000 0.458 268 N N 0.782 119.470 118.700 -0.019 0.000 2.336 268 N HA -0.033 4.707 4.740 -0.001 0.000 0.189 268 N C -0.064 175.444 175.510 -0.002 0.000 1.113 268 N CA 0.114 53.149 53.050 -0.026 0.000 0.858 268 N CB 0.672 39.147 38.487 -0.021 0.000 0.970 268 N HN 0.140 nan 8.380 nan 0.000 0.471 269 S N 1.117 116.832 115.700 0.025 0.000 2.563 269 S HA -0.013 4.457 4.470 -0.001 0.000 0.284 269 S C 1.309 175.922 174.600 0.022 0.000 1.331 269 S CA -0.453 57.767 58.200 0.034 0.000 1.047 269 S CB 0.443 63.682 63.200 0.065 0.000 0.859 269 S HN 0.353 nan 8.310 nan 0.000 0.514 270 M N 2.300 121.914 119.600 0.024 0.000 2.541 270 M HA 0.206 4.686 4.480 -0.001 0.000 0.252 270 M C 0.375 176.670 176.300 -0.009 0.000 1.125 270 M CA 0.379 55.691 55.300 0.019 0.000 1.091 270 M CB -0.228 32.398 32.600 0.043 0.000 1.420 270 M HN 0.553 nan 8.290 nan 0.000 0.486 271 Q N 1.599 121.391 119.800 -0.012 0.000 2.304 271 Q HA 0.258 4.597 4.340 -0.001 0.000 0.260 271 Q C 1.240 177.194 176.000 -0.077 0.000 0.965 271 Q CA 0.035 55.798 55.803 -0.067 0.000 0.898 271 Q CB 1.423 30.142 28.738 -0.032 0.000 1.196 271 Q HN 0.534 nan 8.270 nan 0.000 0.402 272 G N 2.674 111.361 108.800 -0.187 0.000 2.448 272 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.219 272 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.219 272 G C 0.576 175.456 174.900 -0.032 0.000 1.127 272 G CA 0.386 45.416 45.100 -0.116 0.000 0.766 272 G HN 0.584 nan 8.290 nan 0.000 0.552 273 D N 0.424 120.793 120.400 -0.052 0.000 2.378 273 D HA -0.067 4.572 4.640 -0.001 0.000 0.222 273 D C 2.548 178.914 176.300 0.110 0.000 0.980 273 D CA 0.229 54.241 54.000 0.020 0.000 0.907 273 D CB -0.143 40.644 40.800 -0.023 0.000 0.899 273 D HN 0.629 nan 8.370 nan 0.000 0.527 274 I N -2.157 118.494 120.570 0.135 0.000 2.756 274 I HA -0.080 4.090 4.170 -0.001 0.000 0.262 274 I C 1.583 177.908 176.117 0.347 0.000 1.225 274 I CA 0.651 62.103 61.300 0.253 0.000 1.472 274 I CB -0.074 38.123 38.000 0.328 0.000 1.094 274 I HN -0.203 nan 8.210 nan 0.000 0.454 275 R N 0.747 121.401 120.500 0.256 0.000 2.328 275 R HA -0.077 4.262 4.340 -0.001 0.000 0.207 275 R C 1.893 178.334 176.300 0.235 0.000 1.056 275 R CA 0.847 57.101 56.100 0.257 0.000 1.016 275 R CB -0.910 29.538 30.300 0.246 0.000 0.872 275 R HN 0.504 nan 8.270 nan 0.000 0.471 276 F N 1.696 121.686 119.950 0.066 0.000 2.161 276 F HA -0.181 4.346 4.527 -0.001 0.000 0.300 276 F C 2.148 177.965 175.800 0.028 0.000 1.089 276 F CA 1.231 59.238 58.000 0.012 0.000 1.282 276 F CB -0.144 38.827 39.000 -0.048 0.000 1.010 276 F HN 0.018 nan 8.300 nan 0.000 0.485 277 A N 0.135 123.004 122.820 0.083 0.000 1.933 277 A HA -0.203 4.116 4.320 -0.001 0.000 0.218 277 A C 1.920 179.484 177.584 -0.034 0.000 1.175 277 A CA 1.958 53.959 52.037 -0.060 0.000 0.628 277 A CB -0.968 17.950 19.000 -0.137 0.000 0.814 277 A HN 0.452 nan 8.150 nan 0.000 0.444 278 D N -0.209 120.253 120.400 0.104 0.000 2.144 278 D HA -0.101 4.539 4.640 -0.001 0.000 0.199 278 D C 2.008 178.298 176.300 -0.016 0.000 0.984 278 D CA 1.398 55.457 54.000 0.098 0.000 0.834 278 D CB -0.423 40.457 40.800 0.134 0.000 0.955 278 D HN 0.269 nan 8.370 nan 0.000 0.465 279 V N 0.963 120.811 119.914 -0.109 0.000 2.358 279 V HA -0.180 3.940 4.120 -0.001 0.000 0.246 279 V C 2.622 178.587 176.094 -0.214 0.000 1.047 279 V CA 0.997 63.202 62.300 -0.158 0.000 1.035 279 V CB -0.474 31.213 31.823 -0.227 0.000 0.658 279 V HN 0.198 nan 8.190 nan 0.000 0.452 280 L N -0.082 120.933 121.223 -0.346 0.000 2.083 280 L HA -0.213 4.126 4.340 -0.001 0.000 0.209 280 L C 2.596 179.390 176.870 -0.127 0.000 1.083 280 L CA 1.937 56.619 54.840 -0.264 0.000 0.752 280 L CB -0.556 41.322 42.059 -0.303 0.000 0.899 280 L HN 0.439 nan 8.230 nan 0.000 0.433 281 E N 0.662 120.809 120.200 -0.088 0.000 2.072 281 E HA -0.226 4.124 4.350 -0.001 0.000 0.191 281 E C 2.106 178.693 176.600 -0.022 0.000 0.985 281 E CA 1.101 57.484 56.400 -0.030 0.000 0.801 281 E CB 0.168 29.880 29.700 0.020 0.000 0.750 281 E HN 0.398 nan 8.360 nan 0.000 0.452 282 K N -0.212 120.171 120.400 -0.028 0.000 2.209 282 K HA -0.084 4.236 4.320 -0.001 0.000 0.204 282 K C 2.012 178.599 176.600 -0.022 0.000 1.048 282 K CA 1.265 57.541 56.287 -0.018 0.000 0.940 282 K CB -0.040 32.450 32.500 -0.015 0.000 0.729 282 K HN 0.253 nan 8.250 nan 0.000 0.451 283 M N -0.898 118.679 119.600 -0.038 0.000 2.562 283 M HA 0.016 4.496 4.480 -0.001 0.000 0.257 283 M C 0.978 177.268 176.300 -0.017 0.000 1.099 283 M CA 1.030 56.313 55.300 -0.028 0.000 1.099 283 M CB 0.628 33.203 32.600 -0.041 0.000 1.427 283 M HN 0.464 nan 8.290 nan 0.000 0.489 284 G N -0.134 108.654 108.800 -0.020 0.000 2.227 284 G HA2 -0.047 3.912 3.960 -0.001 0.000 0.168 284 G HA3 -0.047 3.912 3.960 -0.001 0.000 0.168 284 G C 0.056 174.948 174.900 -0.014 0.000 1.006 284 G CA -0.212 44.882 45.100 -0.010 0.000 0.684 284 G HN 0.601 nan 8.290 nan 0.000 0.489 285 A N 0.009 122.813 122.820 -0.027 0.000 2.271 285 A HA 0.821 5.140 4.320 -0.001 0.000 0.288 285 A C 0.445 178.015 177.584 -0.023 0.000 1.094 285 A CA 0.585 52.605 52.037 -0.029 0.000 0.828 285 A CB 0.700 19.672 19.000 -0.047 0.000 1.091 285 A HN 0.606 nan 8.150 nan 0.000 0.493 286 T N 1.967 116.509 114.554 -0.021 0.000 2.795 286 T HA 0.524 4.874 4.350 -0.001 0.000 0.282 286 T C -0.339 174.341 174.700 -0.033 0.000 0.980 286 T CA -0.054 62.039 62.100 -0.011 0.000 1.012 286 T CB 0.409 69.276 68.868 -0.002 0.000 0.936 286 T HN 0.362 nan 8.240 nan 0.000 0.457 287 I N 2.157 122.707 120.570 -0.033 0.000 2.474 287 I HA 0.422 4.591 4.170 -0.001 0.000 0.294 287 I C -0.231 175.831 176.117 -0.092 0.000 1.005 287 I CA -0.709 60.518 61.300 -0.121 0.000 1.113 287 I CB 1.602 39.492 38.000 -0.185 0.000 1.289 287 I HN 0.654 nan 8.210 nan 0.000 0.436 288 C N 5.013 124.229 119.300 -0.139 0.000 2.455 288 C HA 0.576 5.035 4.460 -0.001 0.000 0.320 288 C C -0.663 174.256 174.990 -0.119 0.000 1.226 288 C CA -0.667 58.359 59.018 0.012 0.000 1.569 288 C CB 1.030 28.863 27.740 0.154 0.000 2.200 288 C HN 0.727 nan 8.230 nan 0.000 0.491 289 W N 1.705 122.992 121.300 -0.021 0.000 2.606 289 W HA 0.632 5.292 4.660 -0.001 0.000 0.332 289 W C 0.421 176.655 176.519 -0.475 0.000 1.052 289 W CA 0.006 57.228 57.345 -0.205 0.000 1.223 289 W CB 1.609 30.995 29.460 -0.124 0.000 1.383 289 W HN 0.963 nan 8.180 nan 0.000 0.524 290 G N 0.769 109.169 108.800 -0.667 0.000 3.015 290 G HA2 0.201 4.161 3.960 -0.001 0.000 0.281 290 G HA3 0.201 4.161 3.960 -0.001 0.000 0.281 290 G C -0.412 174.287 174.900 -0.334 0.000 1.386 290 G CA -0.453 44.159 45.100 -0.813 0.000 0.959 290 G HN 0.335 nan 8.290 nan 0.000 0.522 291 D N -1.050 119.245 120.400 -0.175 0.000 2.117 291 D HA -0.035 4.605 4.640 -0.001 0.000 0.198 291 D C 0.725 177.001 176.300 -0.038 0.000 0.982 291 D CA 1.205 55.167 54.000 -0.062 0.000 0.828 291 D CB 0.366 41.157 40.800 -0.015 0.000 0.967 291 D HN 0.355 nan 8.370 nan 0.000 0.464 292 D N -1.567 118.824 120.400 -0.016 0.000 2.650 292 D HA 0.093 4.733 4.640 -0.001 0.000 0.265 292 D C -1.129 175.249 176.300 0.131 0.000 1.339 292 D CA -0.455 53.575 54.000 0.050 0.000 0.816 292 D CB 0.106 40.947 40.800 0.069 0.000 1.091 292 D HN 0.170 nan 8.370 nan 0.000 0.483 293 Y N -1.687 118.642 120.300 0.048 0.000 2.656 293 Y HA 0.611 5.161 4.550 -0.001 0.000 0.334 293 Y C -1.847 174.056 175.900 0.005 0.000 1.179 293 Y CA -1.502 56.609 58.100 0.019 0.000 1.050 293 Y CB 0.922 39.382 38.460 -0.000 0.000 1.308 293 Y HN -0.208 nan 8.280 nan 0.000 0.456 294 I N 2.801 123.474 120.570 0.172 0.000 2.619 294 I HA 0.628 4.798 4.170 -0.001 0.000 0.292 294 I C -0.906 175.254 176.117 0.071 0.000 1.100 294 I CA -0.824 60.429 61.300 -0.079 0.000 1.043 294 I CB 2.524 40.330 38.000 -0.324 0.000 1.239 294 I HN 0.844 nan 8.210 nan 0.000 0.420 295 S N 4.118 119.831 115.700 0.021 0.000 2.599 295 S HA 0.728 5.197 4.470 -0.001 0.000 0.287 295 S C -1.079 173.477 174.600 -0.072 0.000 1.105 295 S CA -0.722 57.479 58.200 0.002 0.000 0.899 295 S CB 2.158 65.365 63.200 0.012 0.000 1.100 295 S HN 0.767 nan 8.310 nan 0.000 0.482 296 C N 2.048 121.323 119.300 -0.042 0.000 2.547 296 C HA 0.853 5.312 4.460 -0.001 0.000 0.313 296 C C -0.464 174.511 174.990 -0.026 0.000 1.191 296 C CA 0.111 59.101 59.018 -0.045 0.000 1.474 296 C CB 0.611 28.334 27.740 -0.029 0.000 2.081 296 C HN 1.003 nan 8.230 nan 0.000 0.476 297 T N 4.359 118.897 114.554 -0.027 0.000 2.841 297 T HA 0.439 4.789 4.350 -0.001 0.000 0.283 297 T C -0.448 174.241 174.700 -0.019 0.000 1.000 297 T CA -0.425 61.664 62.100 -0.020 0.000 0.977 297 T CB 1.211 70.069 68.868 -0.016 0.000 0.979 297 T HN 0.816 nan 8.240 nan 0.000 0.446 298 R N 1.767 122.256 120.500 -0.018 0.000 2.537 298 R HA 0.402 4.741 4.340 -0.001 0.000 0.281 298 R C 0.793 177.085 176.300 -0.013 0.000 0.988 298 R CA 0.814 56.903 56.100 -0.019 0.000 1.077 298 R CB -0.292 29.996 30.300 -0.021 0.000 0.932 298 R HN 0.843 nan 8.270 nan 0.000 0.409 299 G N 3.429 112.223 108.800 -0.011 0.000 2.581 299 G HA2 0.215 4.175 3.960 -0.001 0.000 0.194 299 G HA3 0.215 4.175 3.960 -0.001 0.000 0.194 299 G C -0.807 174.093 174.900 -0.001 0.000 1.814 299 G CA 0.193 45.290 45.100 -0.005 0.000 0.745 299 G HN 0.697 nan 8.290 nan 0.000 0.802 300 E N -1.225 118.976 120.200 0.000 0.000 2.450 300 E HA 0.722 5.072 4.350 -0.001 0.000 0.272 300 E C -2.022 174.583 176.600 0.008 0.000 0.967 300 E CA -0.929 55.476 56.400 0.008 0.000 0.818 300 E CB 2.494 32.200 29.700 0.010 0.000 1.401 300 E HN 0.247 nan 8.360 nan 0.000 0.450 301 L N 1.892 123.127 121.223 0.021 0.000 2.457 301 L HA 0.434 4.774 4.340 -0.001 0.000 0.266 301 L C -1.723 175.166 176.870 0.031 0.000 0.979 301 L CA -0.323 54.534 54.840 0.027 0.000 0.857 301 L CB 1.302 43.392 42.059 0.051 0.000 1.213 301 L HN 0.496 nan 8.230 nan 0.000 0.418 302 N N 2.767 121.477 118.700 0.018 0.000 2.370 302 N HA 0.681 5.421 4.740 -0.001 0.000 0.303 302 N C -0.275 175.243 175.510 0.013 0.000 1.103 302 N CA -0.490 52.569 53.050 0.016 0.000 0.848 302 N CB 2.240 40.732 38.487 0.009 0.000 1.235 302 N HN 0.634 nan 8.380 nan 0.000 0.496 303 A N 1.171 124.000 122.820 0.015 0.000 2.466 303 A HA 0.431 4.751 4.320 -0.001 0.000 0.238 303 A C 0.251 177.838 177.584 0.006 0.000 1.074 303 A CA 0.103 52.148 52.037 0.013 0.000 0.774 303 A CB -0.284 18.724 19.000 0.013 0.000 1.015 303 A HN 0.668 nan 8.150 nan 0.000 0.498 304 I N -2.078 118.496 120.570 0.006 0.000 3.042 304 I HA 0.740 4.909 4.170 -0.001 0.000 0.310 304 I C -0.976 175.143 176.117 0.003 0.000 1.117 304 I CA -0.953 60.348 61.300 0.002 0.000 1.003 304 I CB 2.346 40.346 38.000 -0.001 0.000 1.228 304 I HN 0.379 nan 8.210 nan 0.000 0.443 305 D N 4.129 124.528 120.400 -0.002 0.000 2.421 305 D HA 0.553 5.192 4.640 -0.001 0.000 0.254 305 D C -1.544 174.752 176.300 -0.007 0.000 1.238 305 D CA -0.129 53.865 54.000 -0.010 0.000 0.919 305 D CB 1.242 42.029 40.800 -0.021 0.000 1.152 305 D HN 0.811 nan 8.370 nan 0.000 0.552 306 M N 2.461 122.063 119.600 0.003 0.000 2.484 306 M HA 0.267 4.747 4.480 -0.001 0.000 0.289 306 M C -1.618 174.699 176.300 0.029 0.000 1.206 306 M CA -0.799 54.514 55.300 0.021 0.000 0.892 306 M CB 2.362 34.989 32.600 0.046 0.000 1.712 306 M HN 0.108 nan 8.290 nan 0.000 0.462 307 D N 4.219 124.644 120.400 0.043 0.000 2.343 307 D HA 0.187 4.827 4.640 -0.001 0.000 0.255 307 D C -0.137 176.254 176.300 0.152 0.000 1.187 307 D CA 0.051 54.085 54.000 0.057 0.000 0.875 307 D CB 0.892 41.716 40.800 0.040 0.000 1.136 307 D HN 0.598 nan 8.370 nan 0.000 0.469 308 M N 3.406 123.065 119.600 0.098 0.000 2.475 308 M HA 0.026 4.505 4.480 -0.001 0.000 0.283 308 M C 1.337 177.676 176.300 0.065 0.000 1.165 308 M CA -0.239 55.107 55.300 0.076 0.000 0.976 308 M CB -0.730 31.876 32.600 0.010 0.000 1.428 308 M HN 0.471 nan 8.290 nan 0.000 0.495 309 N N 1.512 120.305 118.700 0.155 0.000 2.272 309 N HA -0.199 4.540 4.740 -0.001 0.000 0.185 309 N C 1.449 177.066 175.510 0.177 0.000 1.014 309 N CA 1.233 54.366 53.050 0.138 0.000 0.870 309 N CB 0.081 38.641 38.487 0.122 0.000 0.975 309 N HN 0.537 nan 8.380 nan 0.000 0.433 310 H N 0.069 119.181 119.070 0.070 0.000 2.548 310 H HA 0.047 4.602 4.556 -0.001 0.000 0.268 310 H C 1.055 176.444 175.328 0.102 0.000 0.975 310 H CA 0.370 56.460 56.048 0.070 0.000 1.195 310 H CB -0.212 29.568 29.762 0.031 0.000 1.397 310 H HN 0.340 nan 8.280 nan 0.000 0.572 311 I N -1.547 118.842 120.570 -0.301 0.000 2.908 311 I HA 0.288 4.458 4.170 -0.001 0.000 0.319 311 I C -2.296 173.843 176.117 0.036 0.000 1.471 311 I CA -2.002 59.216 61.300 -0.138 0.000 0.809 311 I CB 1.754 39.604 38.000 -0.249 0.000 2.186 311 I HN -0.264 nan 8.210 nan 0.000 0.607 312 P HA -0.152 nan 4.420 nan 0.000 0.216 312 P C 0.482 177.957 177.300 0.290 0.000 1.150 312 P CA 1.494 64.767 63.100 0.289 0.000 0.837 312 P CB 0.434 32.293 31.700 0.265 0.000 0.786 313 D N 0.346 120.819 120.400 0.123 0.000 2.110 313 D HA -0.015 4.624 4.640 -0.001 0.000 0.202 313 D C 2.267 178.512 176.300 -0.091 0.000 0.975 313 D CA 1.541 55.529 54.000 -0.022 0.000 0.839 313 D CB -1.092 39.705 40.800 -0.005 0.000 0.996 313 D HN 0.078 nan 8.370 nan 0.000 0.464 314 A N 1.012 123.771 122.820 -0.101 0.000 2.019 314 A HA -0.008 4.312 4.320 -0.001 0.000 0.219 314 A C 2.218 179.771 177.584 -0.052 0.000 1.164 314 A CA 1.842 53.709 52.037 -0.283 0.000 0.644 314 A CB -0.646 18.159 19.000 -0.325 0.000 0.805 314 A HN 0.214 nan 8.150 nan 0.000 0.449 315 A N -0.234 122.671 122.820 0.141 0.000 1.978 315 A HA -0.167 4.152 4.320 -0.001 0.000 0.220 315 A C 2.150 179.933 177.584 0.332 0.000 1.170 315 A CA 1.765 53.971 52.037 0.282 0.000 0.636 315 A CB -0.594 18.603 19.000 0.328 0.000 0.810 315 A HN 0.571 nan 8.150 nan 0.000 0.448 316 M N -0.772 118.934 119.600 0.177 0.000 2.202 316 M HA -0.132 4.348 4.480 -0.001 0.000 0.262 316 M C 2.037 178.341 176.300 0.008 0.000 1.063 316 M CA 1.861 57.147 55.300 -0.024 0.000 1.097 316 M CB -0.747 31.613 32.600 -0.400 0.000 1.382 316 M HN 0.410 nan 8.290 nan 0.000 0.413 317 T N 0.952 115.492 114.554 -0.022 0.000 2.833 317 T HA -0.047 4.303 4.350 -0.001 0.000 0.269 317 T C 1.761 176.551 174.700 0.150 0.000 1.054 317 T CA 0.899 62.995 62.100 -0.005 0.000 1.135 317 T CB -0.111 68.584 68.868 -0.288 0.000 0.869 317 T HN 0.231 nan 8.240 nan 0.000 0.466 318 I N 1.684 122.402 120.570 0.247 0.000 2.394 318 I HA -0.038 4.131 4.170 -0.001 0.000 0.251 318 I C 2.866 179.057 176.117 0.124 0.000 1.136 318 I CA 0.676 62.090 61.300 0.190 0.000 1.425 318 I CB -1.596 36.504 38.000 0.166 0.000 1.079 318 I HN 0.183 nan 8.210 nan 0.000 0.425 319 A N 1.219 124.119 122.820 0.134 0.000 1.933 319 A HA -0.212 4.108 4.320 -0.001 0.000 0.218 319 A C 2.405 179.981 177.584 -0.014 0.000 1.175 319 A CA 2.583 54.679 52.037 0.098 0.000 0.628 319 A CB -0.996 18.117 19.000 0.189 0.000 0.814 319 A HN 0.539 nan 8.150 nan 0.000 0.444 320 T N -2.985 111.514 114.554 -0.093 0.000 3.035 320 T HA 0.329 4.678 4.350 -0.001 0.000 0.259 320 T C 1.920 176.641 174.700 0.035 0.000 1.078 320 T CA 1.064 63.057 62.100 -0.179 0.000 1.132 320 T CB -0.317 68.305 68.868 -0.410 0.000 0.900 320 T HN 0.500 nan 8.240 nan 0.000 0.480 321 A N 1.843 124.732 122.820 0.114 0.000 2.019 321 A HA 0.359 4.678 4.320 -0.001 0.000 0.219 321 A C 2.721 180.430 177.584 0.209 0.000 1.164 321 A CA 1.524 53.700 52.037 0.231 0.000 0.644 321 A CB -1.270 17.825 19.000 0.160 0.000 0.805 321 A HN 0.708 nan 8.150 nan 0.000 0.449 322 A N -0.123 122.752 122.820 0.092 0.000 2.076 322 A HA -0.059 4.260 4.320 -0.001 0.000 0.220 322 A C 1.991 179.566 177.584 -0.015 0.000 1.160 322 A CA 1.378 53.442 52.037 0.046 0.000 0.653 322 A CB -0.607 18.411 19.000 0.030 0.000 0.801 322 A HN 0.510 nan 8.150 nan 0.000 0.455 323 L N -2.259 118.899 121.223 -0.109 0.000 2.265 323 L HA -0.123 4.217 4.340 -0.001 0.000 0.215 323 L C 1.544 178.132 176.870 -0.470 0.000 1.117 323 L CA 0.949 55.585 54.840 -0.340 0.000 0.782 323 L CB -0.341 41.379 42.059 -0.566 0.000 0.914 323 L HN 0.463 nan 8.230 nan 0.000 0.441 324 F N -0.641 119.310 119.950 0.002 0.000 2.678 324 F HA 0.333 4.860 4.527 -0.001 0.000 0.305 324 F C 1.289 177.093 175.800 0.006 0.000 1.090 324 F CA -0.429 57.575 58.000 0.007 0.000 1.272 324 F CB -0.041 38.964 39.000 0.009 0.000 1.060 324 F HN -0.125 nan 8.300 nan 0.000 0.576 325 A N 0.888 123.784 122.820 0.128 0.000 2.279 325 A HA 0.417 4.736 4.320 -0.001 0.000 0.303 325 A C 0.014 177.626 177.584 0.046 0.000 1.108 325 A CA -0.621 51.465 52.037 0.082 0.000 0.830 325 A CB 0.508 19.544 19.000 0.060 0.000 1.106 325 A HN 0.177 nan 8.150 nan 0.000 0.493 326 K N 0.889 121.312 120.400 0.038 0.000 2.285 326 K HA 0.492 4.812 4.320 -0.001 0.000 0.286 326 K C 0.383 176.993 176.600 0.017 0.000 1.072 326 K CA 0.839 57.142 56.287 0.025 0.000 0.913 326 K CB 0.021 32.536 32.500 0.024 0.000 1.067 326 K HN 1.741 nan 8.250 nan 0.000 0.479 327 G N 1.909 110.717 108.800 0.012 0.000 2.566 327 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.599 327 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.599 327 G C -0.950 173.955 174.900 0.009 0.000 1.292 327 G CA -0.890 44.216 45.100 0.009 0.000 0.922 327 G HN 0.509 nan 8.290 nan 0.000 0.514 328 T N 1.487 116.046 114.554 0.009 0.000 2.767 328 T HA 0.623 4.973 4.350 -0.001 0.000 0.288 328 T C 0.366 175.075 174.700 0.014 0.000 0.963 328 T CA 0.308 62.415 62.100 0.012 0.000 1.019 328 T CB 1.257 70.133 68.868 0.013 0.000 0.923 328 T HN 0.708 nan 8.240 nan 0.000 0.468 329 T N 3.632 118.198 114.554 0.019 0.000 2.837 329 T HA 0.509 4.859 4.350 -0.001 0.000 0.285 329 T C 0.031 174.750 174.700 0.030 0.000 0.984 329 T CA -0.437 61.677 62.100 0.023 0.000 1.049 329 T CB 0.925 69.810 68.868 0.029 0.000 0.947 329 T HN 0.505 nan 8.240 nan 0.000 0.472 330 T N 4.183 118.750 114.554 0.022 0.000 2.841 330 T HA 0.529 4.879 4.350 -0.001 0.000 0.285 330 T C -0.564 174.144 174.700 0.013 0.000 0.991 330 T CA -0.624 61.492 62.100 0.026 0.000 0.966 330 T CB 0.603 69.467 68.868 -0.006 0.000 0.962 330 T HN 0.335 nan 8.240 nan 0.000 0.438 331 L N 4.026 125.256 121.223 0.011 0.000 2.305 331 L HA 0.621 4.961 4.340 -0.001 0.000 0.284 331 L C 0.335 177.170 176.870 -0.059 0.000 1.013 331 L CA -0.869 53.948 54.840 -0.039 0.000 0.819 331 L CB 1.367 43.376 42.059 -0.083 0.000 1.227 331 L HN 0.388 nan 8.230 nan 0.000 0.417 332 R N 1.814 122.286 120.500 -0.047 0.000 2.873 332 R HA 0.393 4.733 4.340 -0.001 0.000 0.264 332 R C -0.033 176.239 176.300 -0.047 0.000 1.026 332 R CA -1.105 54.980 56.100 -0.025 0.000 1.002 332 R CB 0.944 31.223 30.300 -0.035 0.000 1.174 332 R HN 0.583 nan 8.270 nan 0.000 0.488 333 N N 1.255 119.945 118.700 -0.017 0.000 2.756 333 N HA -0.148 4.592 4.740 -0.001 0.000 0.248 333 N C -0.550 174.924 175.510 -0.060 0.000 1.062 333 N CA 0.687 53.733 53.050 -0.007 0.000 0.696 333 N CB -0.838 37.662 38.487 0.022 0.000 0.946 333 N HN 0.648 nan 8.380 nan 0.000 0.548 334 I N -3.262 117.199 120.570 -0.182 0.000 3.424 334 I HA 0.223 4.392 4.170 -0.001 0.000 0.339 334 I C 1.416 177.362 176.117 -0.285 0.000 1.549 334 I CA -0.897 60.187 61.300 -0.361 0.000 1.049 334 I CB -0.230 37.193 38.000 -0.961 0.000 1.439 334 I HN 0.079 nan 8.210 nan 0.000 0.500 335 Y N 3.759 123.938 120.300 -0.202 0.000 2.151 335 Y HA -0.327 4.223 4.550 -0.000 0.000 0.284 335 Y C 2.197 178.076 175.900 -0.034 0.000 1.166 335 Y CA 2.548 60.539 58.100 -0.182 0.000 1.163 335 Y CB -0.345 38.016 38.460 -0.166 0.000 0.974 335 Y HN 0.653 nan 8.280 nan 0.000 0.511 336 N N -1.747 116.909 118.700 -0.074 0.000 2.609 336 N HA -0.199 4.540 4.740 -0.001 0.000 0.190 336 N C 1.145 176.654 175.510 -0.003 0.000 1.157 336 N CA 0.511 53.500 53.050 -0.101 0.000 0.918 336 N CB -0.690 37.840 38.487 0.071 0.000 0.978 336 N HN 0.330 nan 8.380 nan 0.000 0.448 337 W N 1.947 123.114 121.300 -0.221 0.000 2.364 337 W HA 0.008 4.668 4.660 -0.001 0.000 0.281 337 W C 2.076 178.467 176.519 -0.214 0.000 1.219 337 W CA 0.461 57.701 57.345 -0.175 0.000 1.220 337 W CB -0.282 29.091 29.460 -0.145 0.000 1.127 337 W HN 0.162 nan 8.180 nan 0.000 0.556 338 R N -0.201 120.229 120.500 -0.118 0.000 2.189 338 R HA -0.053 4.287 4.340 -0.001 0.000 0.223 338 R C 1.353 177.576 176.300 -0.129 0.000 1.092 338 R CA 1.471 57.462 56.100 -0.182 0.000 0.989 338 R CB -0.502 29.564 30.300 -0.389 0.000 0.876 338 R HN 0.200 nan 8.270 nan 0.000 0.457 339 V N -2.479 117.363 119.914 -0.120 0.000 3.121 339 V HA 0.283 4.402 4.120 -0.001 0.000 0.344 339 V C 0.461 176.548 176.094 -0.012 0.000 1.390 339 V CA -0.323 61.959 62.300 -0.031 0.000 1.177 339 V CB -0.101 31.733 31.823 0.018 0.000 1.163 339 V HN -0.009 nan 8.190 nan 0.000 0.484 340 K N 0.397 120.777 120.400 -0.033 0.000 2.385 340 K HA 0.461 4.780 4.320 -0.001 0.000 0.274 340 K C 1.160 177.747 176.600 -0.022 0.000 0.981 340 K CA -0.138 56.128 56.287 -0.035 0.000 1.400 340 K CB 0.364 32.827 32.500 -0.063 0.000 2.019 340 K HN 0.025 nan 8.250 nan 0.000 0.855 341 E N 0.341 120.531 120.200 -0.017 0.000 2.171 341 E HA -0.137 4.213 4.350 -0.001 0.000 0.197 341 E C 0.483 177.095 176.600 0.019 0.000 0.997 341 E CA 1.274 57.684 56.400 0.017 0.000 0.810 341 E CB 0.096 29.837 29.700 0.070 0.000 0.738 341 E HN 0.299 nan 8.360 nan 0.000 0.467 342 T N -1.629 112.918 114.554 -0.013 0.000 2.731 342 T HA 0.108 4.457 4.350 -0.001 0.000 0.300 342 T C -1.937 172.739 174.700 -0.040 0.000 1.283 342 T CA -0.898 61.203 62.100 0.002 0.000 1.005 342 T CB 1.282 70.167 68.868 0.028 0.000 1.420 342 T HN -0.112 nan 8.240 nan 0.000 0.503 343 D N 1.172 121.562 120.400 -0.017 0.000 2.359 343 D HA 0.224 4.864 4.640 -0.001 0.000 0.250 343 D C 1.148 177.430 176.300 -0.029 0.000 1.264 343 D CA -0.035 53.960 54.000 -0.009 0.000 0.911 343 D CB 0.614 41.427 40.800 0.022 0.000 1.056 343 D HN 0.419 nan 8.370 nan 0.000 0.499 344 R N 2.677 123.145 120.500 -0.054 0.000 2.148 344 R HA 0.005 4.345 4.340 -0.001 0.000 0.223 344 R C 1.959 178.323 176.300 0.106 0.000 1.088 344 R CA 0.588 56.609 56.100 -0.132 0.000 0.985 344 R CB 0.218 30.268 30.300 -0.417 0.000 0.880 344 R HN 0.467 nan 8.270 nan 0.000 0.451 345 L N -0.613 120.774 121.223 0.274 0.000 2.072 345 L HA -0.133 4.207 4.340 -0.001 0.000 0.205 345 L C 2.155 179.097 176.870 0.119 0.000 1.079 345 L CA 1.008 56.008 54.840 0.268 0.000 0.752 345 L CB -0.318 41.810 42.059 0.115 0.000 0.906 345 L HN 0.131 nan 8.230 nan 0.000 0.436 346 F N 0.720 120.650 119.950 -0.034 0.000 2.102 346 F HA -0.204 4.323 4.527 -0.001 0.000 0.298 346 F C 2.388 178.108 175.800 -0.134 0.000 1.105 346 F CA 1.321 59.284 58.000 -0.062 0.000 1.239 346 F CB -0.327 38.639 39.000 -0.056 0.000 0.991 346 F HN -0.009 nan 8.300 nan 0.000 0.474 347 A N 0.706 123.319 122.820 -0.345 0.000 1.877 347 A HA -0.176 4.144 4.320 -0.001 0.000 0.216 347 A C 2.335 179.657 177.584 -0.437 0.000 1.186 347 A CA 1.886 53.458 52.037 -0.775 0.000 0.620 347 A CB -0.798 17.445 19.000 -1.261 0.000 0.822 347 A HN 0.489 nan 8.150 nan 0.000 0.443 348 M N -0.665 118.818 119.600 -0.195 0.000 2.175 348 M HA -0.137 4.343 4.480 -0.001 0.000 0.264 348 M C 2.559 178.878 176.300 0.032 0.000 1.063 348 M CA 1.393 56.711 55.300 0.030 0.000 1.119 348 M CB -0.549 32.133 32.600 0.136 0.000 1.377 348 M HN 0.511 nan 8.290 nan 0.000 0.415 349 A N 0.085 122.873 122.820 -0.053 0.000 1.902 349 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 349 A C 2.192 179.693 177.584 -0.139 0.000 1.181 349 A CA 2.169 54.166 52.037 -0.066 0.000 0.623 349 A CB -1.082 17.868 19.000 -0.083 0.000 0.818 349 A HN 0.439 nan 8.150 nan 0.000 0.443 350 T N 0.126 114.492 114.554 -0.313 0.000 2.708 350 T HA -0.112 4.238 4.350 -0.001 0.000 0.266 350 T C 1.788 176.376 174.700 -0.187 0.000 1.037 350 T CA 1.565 63.474 62.100 -0.318 0.000 1.146 350 T CB -0.220 68.329 68.868 -0.531 0.000 0.865 350 T HN 0.490 nan 8.240 nan 0.000 0.435 351 E N 1.057 121.135 120.200 -0.203 0.000 2.152 351 E HA 0.089 4.439 4.350 -0.001 0.000 0.192 351 E C 2.341 178.903 176.600 -0.065 0.000 0.983 351 E CA 0.412 56.628 56.400 -0.306 0.000 0.818 351 E CB -0.459 28.747 29.700 -0.823 0.000 0.758 351 E HN 0.448 nan 8.360 nan 0.000 0.467 352 L N 0.489 121.817 121.223 0.175 0.000 2.083 352 L HA -0.148 4.192 4.340 -0.001 0.000 0.209 352 L C 2.594 179.510 176.870 0.078 0.000 1.083 352 L CA 1.154 56.136 54.840 0.236 0.000 0.752 352 L CB -0.271 41.886 42.059 0.163 0.000 0.899 352 L HN 0.042 nan 8.230 nan 0.000 0.433 353 R N 0.047 120.555 120.500 0.013 0.000 2.120 353 R HA -0.157 4.183 4.340 -0.001 0.000 0.234 353 R C 2.207 178.497 176.300 -0.017 0.000 1.123 353 R CA 1.056 57.150 56.100 -0.009 0.000 0.975 353 R CB -0.165 30.117 30.300 -0.029 0.000 0.866 353 R HN 0.327 nan 8.270 nan 0.000 0.446 354 K N 0.384 120.762 120.400 -0.037 0.000 2.209 354 K HA -0.082 4.237 4.320 -0.001 0.000 0.204 354 K C 1.716 178.293 176.600 -0.039 0.000 1.048 354 K CA 1.370 57.625 56.287 -0.055 0.000 0.940 354 K CB 0.148 32.582 32.500 -0.109 0.000 0.729 354 K HN 0.173 nan 8.250 nan 0.000 0.451 355 V N -3.857 116.053 119.914 -0.007 0.000 3.596 355 V HA 0.394 4.513 4.120 -0.001 0.000 0.289 355 V C 0.929 177.018 176.094 -0.008 0.000 1.336 355 V CA 0.453 62.752 62.300 -0.002 0.000 1.137 355 V CB 0.065 31.908 31.823 0.033 0.000 0.966 355 V HN 0.366 nan 8.190 nan 0.000 0.428 356 G N -0.399 108.397 108.800 -0.007 0.000 2.211 356 G HA2 -0.000 3.959 3.960 -0.001 0.000 0.201 356 G HA3 -0.000 3.959 3.960 -0.001 0.000 0.201 356 G C 0.425 175.316 174.900 -0.015 0.000 0.997 356 G CA 0.024 45.118 45.100 -0.011 0.000 0.652 356 G HN 1.459 nan 8.290 nan 0.000 0.500 357 A N 0.259 123.071 122.820 -0.014 0.000 2.386 357 A HA 0.625 4.945 4.320 -0.001 0.000 0.248 357 A C 0.379 177.961 177.584 -0.003 0.000 1.082 357 A CA 0.685 52.713 52.037 -0.014 0.000 0.789 357 A CB 0.495 19.488 19.000 -0.012 0.000 1.025 357 A HN 0.662 nan 8.150 nan 0.000 0.490 358 E N 1.147 121.347 120.200 0.000 0.000 2.174 358 E HA 0.525 4.875 4.350 -0.001 0.000 0.282 358 E C -1.476 175.132 176.600 0.014 0.000 0.992 358 E CA -0.410 55.994 56.400 0.007 0.000 0.803 358 E CB 0.931 30.637 29.700 0.009 0.000 1.090 358 E HN 0.361 nan 8.360 nan 0.000 0.396 359 V N 4.366 124.289 119.914 0.015 0.000 2.638 359 V HA 0.251 4.371 4.120 -0.001 0.000 0.306 359 V C -0.512 175.595 176.094 0.021 0.000 1.052 359 V CA -0.882 61.431 62.300 0.021 0.000 0.885 359 V CB 1.744 33.576 31.823 0.014 0.000 0.999 359 V HN 0.764 nan 8.190 nan 0.000 0.424 360 E N 3.457 123.679 120.200 0.037 0.000 2.109 360 E HA 0.261 4.611 4.350 -0.001 0.000 0.278 360 E C -0.432 176.150 176.600 -0.030 0.000 0.954 360 E CA -0.402 56.017 56.400 0.033 0.000 0.779 360 E CB 1.085 30.846 29.700 0.101 0.000 1.093 360 E HN 0.786 nan 8.360 nan 0.000 0.401 361 E N 4.154 124.316 120.200 -0.063 0.000 1.941 361 E HA 0.233 4.582 4.350 -0.001 0.000 0.275 361 E C -0.272 176.172 176.600 -0.260 0.000 1.113 361 E CA -0.422 55.906 56.400 -0.119 0.000 0.878 361 E CB 0.454 30.135 29.700 -0.032 0.000 1.070 361 E HN 0.666 nan 8.360 nan 0.000 0.399 362 G N 2.060 110.467 108.800 -0.654 0.000 2.562 362 G HA2 -0.075 3.885 3.960 -0.001 0.000 0.275 362 G HA3 -0.075 3.885 3.960 -0.001 0.000 0.275 362 G C 0.539 175.133 174.900 -0.510 0.000 1.196 362 G CA -0.174 44.252 45.100 -1.122 0.000 0.908 362 G HN 0.813 nan 8.290 nan 0.000 0.524 363 H N -0.554 118.332 119.070 -0.308 0.000 2.352 363 H HA -0.119 4.436 4.556 -0.001 0.000 0.299 363 H C 0.984 176.332 175.328 0.033 0.000 1.097 363 H CA 2.300 58.322 56.048 -0.043 0.000 1.311 363 H CB 0.343 30.141 29.762 0.060 0.000 1.377 363 H HN 0.476 nan 8.280 nan 0.000 0.504 364 D N -1.753 118.511 120.400 -0.226 0.000 2.692 364 D HA 0.104 4.743 4.640 -0.001 0.000 0.290 364 D C -0.658 175.607 176.300 -0.059 0.000 1.455 364 D CA -0.473 53.408 54.000 -0.197 0.000 0.796 364 D CB -1.017 39.704 40.800 -0.133 0.000 1.131 364 D HN 0.564 nan 8.370 nan 0.000 0.467 365 Y N -1.837 118.368 120.300 -0.159 0.000 2.689 365 Y HA 0.695 5.244 4.550 -0.001 0.000 0.333 365 Y C -1.996 173.814 175.900 -0.150 0.000 1.208 365 Y CA -1.767 56.222 58.100 -0.185 0.000 1.055 365 Y CB 1.334 39.736 38.460 -0.098 0.000 1.304 365 Y HN -0.064 nan 8.280 nan 0.000 0.455 366 I N 1.933 122.514 120.570 0.020 0.000 2.656 366 I HA 0.564 4.734 4.170 -0.001 0.000 0.292 366 I C -1.516 174.682 176.117 0.136 0.000 1.144 366 I CA -1.006 60.295 61.300 0.002 0.000 1.038 366 I CB 1.901 39.878 38.000 -0.038 0.000 1.244 366 I HN 0.878 nan 8.210 nan 0.000 0.420 367 R N 7.836 128.422 120.500 0.143 0.000 2.393 367 R HA 0.682 5.022 4.340 -0.001 0.000 0.315 367 R C -1.773 174.570 176.300 0.071 0.000 0.952 367 R CA -0.561 55.612 56.100 0.122 0.000 0.842 367 R CB 1.333 31.727 30.300 0.157 0.000 1.163 367 R HN 0.606 nan 8.270 nan 0.000 0.450 368 I N 3.308 123.909 120.570 0.052 0.000 2.410 368 I HA 0.258 4.428 4.170 -0.001 0.000 0.286 368 I C -0.491 175.637 176.117 0.019 0.000 1.009 368 I CA -0.582 60.738 61.300 0.033 0.000 1.111 368 I CB 2.393 40.412 38.000 0.032 0.000 1.262 368 I HN 0.489 nan 8.210 nan 0.000 0.443 369 T N 7.417 121.978 114.554 0.012 0.000 2.788 369 T HA 0.357 4.707 4.350 -0.001 0.000 0.296 369 T C -2.436 172.257 174.700 -0.013 0.000 1.009 369 T CA -1.327 60.775 62.100 0.003 0.000 0.949 369 T CB 1.123 69.996 68.868 0.008 0.000 0.946 369 T HN 0.329 nan 8.240 nan 0.000 0.453 370 P HA 0.271 nan 4.420 nan 0.000 0.272 370 P C -2.567 174.706 177.300 -0.046 0.000 1.223 370 P CA -1.366 61.700 63.100 -0.056 0.000 0.784 370 P CB 0.008 31.660 31.700 -0.080 0.000 0.923 371 P HA 0.196 nan 4.420 nan 0.000 0.278 371 P C 0.753 178.031 177.300 -0.036 0.000 1.258 371 P CA -0.216 62.862 63.100 -0.037 0.000 0.811 371 P CB 1.118 32.795 31.700 -0.037 0.000 1.063 372 E N 0.561 120.751 120.200 -0.017 0.000 2.110 372 E HA -0.127 4.223 4.350 -0.001 0.000 0.193 372 E C 0.650 177.246 176.600 -0.007 0.000 0.988 372 E CA 1.580 57.975 56.400 -0.007 0.000 0.804 372 E CB -0.113 29.588 29.700 0.003 0.000 0.745 372 E HN 0.598 nan 8.360 nan 0.000 0.458 373 K N -0.409 119.985 120.400 -0.010 0.000 2.498 373 K HA 0.448 4.768 4.320 -0.001 0.000 0.254 373 K C -0.720 175.872 176.600 -0.014 0.000 0.933 373 K CA -0.631 55.654 56.287 -0.004 0.000 0.806 373 K CB 1.527 34.038 32.500 0.018 0.000 1.301 373 K HN -0.197 nan 8.250 nan 0.000 0.432 374 L N 2.652 123.862 121.223 -0.021 0.000 2.453 374 L HA 0.293 4.632 4.340 -0.001 0.000 0.261 374 L C 0.331 177.219 176.870 0.030 0.000 1.179 374 L CA -0.629 54.199 54.840 -0.020 0.000 0.813 374 L CB 0.498 42.532 42.059 -0.041 0.000 1.110 374 L HN 0.856 nan 8.230 nan 0.000 0.466 375 N N 0.697 119.419 118.700 0.037 0.000 2.381 375 N HA 0.300 5.040 4.740 -0.001 0.000 0.294 375 N C -0.936 174.638 175.510 0.107 0.000 1.216 375 N CA -0.730 52.369 53.050 0.081 0.000 0.803 375 N CB 1.904 40.432 38.487 0.070 0.000 1.372 375 N HN 0.331 nan 8.380 nan 0.000 0.500 376 F N 0.707 120.671 119.950 0.023 0.000 2.518 376 F HA 0.468 4.995 4.527 -0.001 0.000 0.359 376 F C -0.210 175.601 175.800 0.018 0.000 1.118 376 F CA -0.009 58.006 58.000 0.026 0.000 1.287 376 F CB 0.425 39.436 39.000 0.017 0.000 1.132 376 F HN 0.746 nan 8.300 nan 0.000 0.587 377 A N 4.669 126.832 122.820 -1.095 0.000 2.606 377 A HA 0.442 4.761 4.320 -0.001 0.000 0.293 377 A C -1.368 175.581 177.584 -1.059 0.000 1.082 377 A CA -0.846 50.704 52.037 -0.812 0.000 0.685 377 A CB 1.202 19.997 19.000 -0.341 0.000 1.284 377 A HN 0.771 nan 8.150 nan 0.000 0.408 378 E N 1.753 121.622 120.200 -0.551 0.000 2.081 378 E HA 0.447 4.797 4.350 -0.001 0.000 0.281 378 E C -0.931 175.514 176.600 -0.257 0.000 0.986 378 E CA -0.541 55.672 56.400 -0.312 0.000 0.796 378 E CB 0.469 30.110 29.700 -0.098 0.000 1.085 378 E HN 0.472 nan 8.360 nan 0.000 0.398 379 I N 3.646 124.066 120.570 -0.250 0.000 2.325 379 I HA 0.246 4.416 4.170 -0.001 0.000 0.291 379 I C 0.572 176.555 176.117 -0.223 0.000 1.019 379 I CA -0.476 60.652 61.300 -0.286 0.000 1.302 379 I CB 0.614 38.416 38.000 -0.330 0.000 1.401 379 I HN 0.533 nan 8.210 nan 0.000 0.485 380 A N 4.703 127.380 122.820 -0.237 0.000 2.388 380 A HA 0.488 4.808 4.320 -0.001 0.000 0.257 380 A C 0.968 178.465 177.584 -0.145 0.000 1.095 380 A CA -0.166 51.709 52.037 -0.268 0.000 0.791 380 A CB 0.174 18.899 19.000 -0.459 0.000 1.029 380 A HN 0.846 nan 8.150 nan 0.000 0.489 381 T N -1.985 112.507 114.554 -0.104 0.000 3.044 381 T HA 0.220 4.569 4.350 -0.001 0.000 0.260 381 T C 0.114 174.967 174.700 0.255 0.000 1.019 381 T CA 0.436 62.600 62.100 0.107 0.000 0.921 381 T CB -0.656 68.239 68.868 0.046 0.000 1.053 381 T HN 0.821 nan 8.240 nan 0.000 0.533 382 Y N 2.430 122.709 120.300 -0.035 0.000 3.721 382 Y HA -0.275 4.275 4.550 -0.001 0.000 0.218 382 Y C 0.554 176.456 175.900 0.002 0.000 1.188 382 Y CA 0.355 58.449 58.100 -0.010 0.000 1.607 382 Y CB -3.060 35.397 38.460 -0.006 0.000 1.496 382 Y HN 0.358 nan 8.280 nan 0.000 0.626 383 N N -0.356 118.408 118.700 0.106 0.000 2.721 383 N HA -0.214 4.526 4.740 -0.001 0.000 0.249 383 N C -0.713 174.865 175.510 0.114 0.000 1.072 383 N CA 1.590 54.694 53.050 0.089 0.000 0.710 383 N CB -0.561 37.969 38.487 0.072 0.000 0.993 383 N HN 0.679 nan 8.380 nan 0.000 0.547 384 D N -0.614 119.865 120.400 0.131 0.000 2.440 384 D HA 0.161 4.800 4.640 -0.001 0.000 0.252 384 D C 1.421 177.792 176.300 0.118 0.000 1.180 384 D CA -0.581 53.503 54.000 0.141 0.000 0.894 384 D CB 0.300 41.133 40.800 0.056 0.000 1.111 384 D HN 0.429 nan 8.370 nan 0.000 0.544 385 H N 2.603 121.648 119.070 -0.040 0.000 2.362 385 H HA -0.176 4.379 4.556 -0.001 0.000 0.294 385 H C 1.255 176.475 175.328 -0.179 0.000 1.113 385 H CA 1.282 57.278 56.048 -0.088 0.000 1.253 385 H CB 0.134 29.860 29.762 -0.061 0.000 1.363 385 H HN 0.215 nan 8.280 nan 0.000 0.494 386 R N -0.171 119.965 120.500 -0.607 0.000 2.189 386 R HA -0.008 4.332 4.340 -0.001 0.000 0.218 386 R C 2.132 178.262 176.300 -0.284 0.000 1.074 386 R CA 1.010 56.801 56.100 -0.514 0.000 0.991 386 R CB 0.003 29.980 30.300 -0.539 0.000 0.883 386 R HN 0.405 nan 8.270 nan 0.000 0.457 387 M N 0.237 119.746 119.600 -0.152 0.000 2.132 387 M HA -0.055 4.425 4.480 -0.001 0.000 0.263 387 M C 2.416 178.767 176.300 0.086 0.000 1.065 387 M CA 1.408 56.726 55.300 0.029 0.000 1.122 387 M CB -0.871 31.758 32.600 0.049 0.000 1.365 387 M HN 0.138 nan 8.290 nan 0.000 0.411 388 A N 0.097 122.905 122.820 -0.019 0.000 1.877 388 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 388 A C 2.226 179.711 177.584 -0.165 0.000 1.186 388 A CA 1.590 53.640 52.037 0.022 0.000 0.620 388 A CB -0.538 18.506 19.000 0.073 0.000 0.822 388 A HN 0.481 nan 8.150 nan 0.000 0.443 389 M N -1.262 117.970 119.600 -0.614 0.000 2.200 389 M HA -0.141 4.339 4.480 -0.001 0.000 0.265 389 M C 2.366 178.223 176.300 -0.738 0.000 1.066 389 M CA 1.110 55.645 55.300 -1.276 0.000 1.127 389 M CB -0.599 30.616 32.600 -2.309 0.000 1.379 389 M HN 0.537 nan 8.290 nan 0.000 0.420 390 C N -0.210 118.866 119.300 -0.373 0.000 2.446 390 C HA -0.125 4.334 4.460 -0.001 0.000 0.277 390 C C 2.423 177.272 174.990 -0.235 0.000 1.275 390 C CA 0.714 59.628 59.018 -0.174 0.000 1.727 390 C CB -1.032 26.602 27.740 -0.178 0.000 2.010 390 C HN 0.439 nan 8.230 nan 0.000 0.486 391 F N 1.909 121.825 119.950 -0.058 0.000 2.661 391 F HA -0.060 4.466 4.527 -0.001 0.000 0.298 391 F C 2.581 178.419 175.800 0.064 0.000 1.137 391 F CA 1.142 59.146 58.000 0.007 0.000 1.454 391 F CB -0.373 38.619 39.000 -0.015 0.000 1.103 391 F HN 0.269 nan 8.300 nan 0.000 0.577 392 S N 0.229 116.033 115.700 0.172 0.000 2.419 392 S HA -0.181 4.289 4.470 -0.001 0.000 0.233 392 S C 1.880 176.593 174.600 0.187 0.000 1.016 392 S CA 0.936 59.288 58.200 0.254 0.000 0.974 392 S CB -0.873 62.538 63.200 0.352 0.000 0.786 392 S HN 0.472 nan 8.310 nan 0.000 0.492 393 L N 1.135 122.432 121.223 0.123 0.000 2.362 393 L HA -0.004 4.336 4.340 -0.001 0.000 0.219 393 L C 2.418 179.437 176.870 0.248 0.000 1.134 393 L CA 0.457 55.379 54.840 0.136 0.000 0.807 393 L CB -0.757 41.371 42.059 0.115 0.000 0.927 393 L HN 0.249 nan 8.230 nan 0.000 0.447 394 V N 0.570 120.627 119.914 0.238 0.000 2.469 394 V HA -0.287 3.832 4.120 -0.001 0.000 0.251 394 V C 2.663 178.935 176.094 0.298 0.000 1.064 394 V CA 1.727 64.201 62.300 0.289 0.000 1.066 394 V CB -0.792 31.145 31.823 0.190 0.000 0.667 394 V HN 0.529 nan 8.190 nan 0.000 0.461 395 A N -0.485 122.464 122.820 0.214 0.000 2.216 395 A HA 0.044 4.363 4.320 -0.001 0.000 0.214 395 A C 1.536 179.201 177.584 0.136 0.000 1.160 395 A CA 0.694 52.833 52.037 0.169 0.000 0.725 395 A CB -0.513 18.573 19.000 0.144 0.000 0.784 395 A HN 0.558 nan 8.150 nan 0.000 0.472 396 L N 1.416 122.705 121.223 0.110 0.000 2.955 396 L HA 0.168 4.507 4.340 -0.001 0.000 0.238 396 L C 0.649 177.536 176.870 0.028 0.000 1.359 396 L CA -0.060 54.752 54.840 -0.048 0.000 1.214 396 L CB -0.779 41.097 42.059 -0.305 0.000 1.600 396 L HN 0.516 nan 8.230 nan 0.000 0.442 397 S N -3.552 112.259 115.700 0.186 0.000 2.973 397 S HA 0.345 4.815 4.470 -0.001 0.000 0.317 397 S C 0.096 174.790 174.600 0.157 0.000 1.196 397 S CA -0.796 57.562 58.200 0.264 0.000 0.894 397 S CB 1.371 64.796 63.200 0.375 0.000 1.292 397 S HN 0.062 nan 8.310 nan 0.000 0.614 398 D N 0.983 121.467 120.400 0.140 0.000 2.340 398 D HA 0.212 4.852 4.640 -0.001 0.000 0.220 398 D C 0.286 176.648 176.300 0.104 0.000 1.039 398 D CA 0.768 54.828 54.000 0.100 0.000 0.866 398 D CB 0.437 41.285 40.800 0.081 0.000 0.913 398 D HN 0.495 nan 8.370 nan 0.000 0.523 399 T N 1.289 115.922 114.554 0.130 0.000 2.856 399 T HA 0.405 4.755 4.350 -0.001 0.000 0.283 399 T C -2.700 172.107 174.700 0.178 0.000 1.008 399 T CA -2.261 59.929 62.100 0.150 0.000 0.997 399 T CB 2.200 71.167 68.868 0.164 0.000 0.992 399 T HN -0.224 nan 8.240 nan 0.000 0.454 400 P HA 0.457 nan 4.420 nan 0.000 0.277 400 P C -1.159 176.326 177.300 0.309 0.000 1.271 400 P CA -0.510 62.729 63.100 0.231 0.000 0.795 400 P CB 0.967 32.792 31.700 0.209 0.000 1.101 401 V N -0.640 119.409 119.914 0.226 0.000 2.888 401 V HA 0.430 4.550 4.120 -0.001 0.000 0.309 401 V C -1.012 175.129 176.094 0.078 0.000 1.114 401 V CA -0.348 61.988 62.300 0.060 0.000 0.940 401 V CB 2.404 34.259 31.823 0.054 0.000 1.021 401 V HN 0.548 nan 8.190 nan 0.000 0.426 402 T N 7.361 121.874 114.554 -0.068 0.000 2.779 402 T HA 0.599 4.948 4.350 -0.001 0.000 0.280 402 T C -0.585 174.073 174.700 -0.071 0.000 0.987 402 T CA -0.248 61.860 62.100 0.014 0.000 0.966 402 T CB 0.841 69.801 68.868 0.152 0.000 0.933 402 T HN 0.447 nan 8.240 nan 0.000 0.442 403 I N 4.474 125.009 120.570 -0.058 0.000 2.330 403 I HA 0.342 4.512 4.170 -0.001 0.000 0.289 403 I C 0.247 176.323 176.117 -0.069 0.000 1.001 403 I CA -0.730 60.538 61.300 -0.053 0.000 1.193 403 I CB 1.057 39.046 38.000 -0.018 0.000 1.345 403 I HN 0.486 nan 8.210 nan 0.000 0.461 404 L N 5.075 126.258 121.223 -0.068 0.000 2.417 404 L HA 0.170 4.509 4.340 -0.001 0.000 0.268 404 L C 0.677 177.523 176.870 -0.039 0.000 1.158 404 L CA -0.171 54.632 54.840 -0.063 0.000 0.819 404 L CB 0.123 42.131 42.059 -0.085 0.000 1.112 404 L HN 0.624 nan 8.230 nan 0.000 0.458 405 D N 1.643 122.024 120.400 -0.031 0.000 2.697 405 D HA -0.135 4.504 4.640 -0.001 0.000 0.235 405 D C -1.351 174.967 176.300 0.031 0.000 1.167 405 D CA 0.286 54.283 54.000 -0.004 0.000 0.656 405 D CB 0.037 40.835 40.800 -0.003 0.000 1.025 405 D HN 0.360 nan 8.370 nan 0.000 0.419 406 P HA -0.201 nan 4.420 nan 0.000 0.221 406 P C 1.116 178.537 177.300 0.202 0.000 1.145 406 P CA 0.775 63.938 63.100 0.106 0.000 0.795 406 P CB 0.185 31.797 31.700 -0.148 0.000 0.775 407 K N 0.121 120.589 120.400 0.114 0.000 2.515 407 K HA -0.059 4.261 4.320 -0.001 0.000 0.196 407 K C 2.072 178.737 176.600 0.109 0.000 1.038 407 K CA 0.947 57.304 56.287 0.116 0.000 0.967 407 K CB -1.369 31.176 32.500 0.074 0.000 0.780 407 K HN 0.387 nan 8.250 nan 0.000 0.483 408 C N 0.384 119.746 119.300 0.104 0.000 2.430 408 C HA -0.028 4.431 4.460 -0.001 0.000 0.288 408 C C 2.562 177.618 174.990 0.109 0.000 1.448 408 C CA 0.844 59.919 59.018 0.094 0.000 1.784 408 C CB -1.715 26.078 27.740 0.089 0.000 1.776 408 C HN 0.493 nan 8.230 nan 0.000 0.547 409 T N -0.774 113.851 114.554 0.118 0.000 2.977 409 T HA 0.034 4.383 4.350 -0.001 0.000 0.271 409 T C 1.877 176.649 174.700 0.121 0.000 1.105 409 T CA 1.396 63.548 62.100 0.087 0.000 1.116 409 T CB -0.591 68.260 68.868 -0.030 0.000 0.878 409 T HN 0.793 nan 8.240 nan 0.000 0.509 410 A N 1.605 124.488 122.820 0.105 0.000 2.186 410 A HA -0.022 4.298 4.320 -0.001 0.000 0.219 410 A C 2.320 179.920 177.584 0.026 0.000 1.159 410 A CA 1.632 53.721 52.037 0.087 0.000 0.680 410 A CB -0.786 18.257 19.000 0.072 0.000 0.787 410 A HN 0.634 nan 8.150 nan 0.000 0.467 411 K N -0.439 119.936 120.400 -0.041 0.000 2.103 411 K HA -0.178 4.142 4.320 -0.001 0.000 0.207 411 K C 1.569 178.062 176.600 -0.178 0.000 1.048 411 K CA 2.011 58.187 56.287 -0.185 0.000 0.930 411 K CB -0.062 32.157 32.500 -0.468 0.000 0.716 411 K HN 0.641 nan 8.250 nan 0.000 0.444 412 T N -4.058 110.452 114.554 -0.074 0.000 3.080 412 T HA 0.163 4.513 4.350 -0.001 0.000 0.280 412 T C -0.144 174.666 174.700 0.183 0.000 0.926 412 T CA -0.619 61.510 62.100 0.047 0.000 0.883 412 T CB 0.424 69.373 68.868 0.135 0.000 1.194 412 T HN 0.040 nan 8.240 nan 0.000 0.541 413 F N 2.003 121.988 119.950 0.057 0.000 3.020 413 F HA 0.470 4.997 4.527 -0.001 0.000 0.389 413 F C -2.797 173.060 175.800 0.095 0.000 1.265 413 F CA -2.951 55.105 58.000 0.094 0.000 1.195 413 F CB 1.743 40.816 39.000 0.121 0.000 2.250 413 F HN -0.193 nan 8.300 nan 0.000 0.627 414 P HA -0.124 nan 4.420 nan 0.000 0.216 414 P C 0.632 178.061 177.300 0.216 0.000 1.150 414 P CA 1.577 64.811 63.100 0.224 0.000 0.843 414 P CB 0.365 32.160 31.700 0.160 0.000 0.787 415 D N -2.723 117.860 120.400 0.304 0.000 2.336 415 D HA -0.011 4.629 4.640 -0.001 0.000 0.228 415 D C 1.321 177.593 176.300 -0.046 0.000 1.120 415 D CA -0.196 53.914 54.000 0.184 0.000 0.839 415 D CB -0.791 40.147 40.800 0.230 0.000 0.932 415 D HN 0.169 nan 8.370 nan 0.000 0.509 416 Y N 0.783 120.769 120.300 -0.524 0.000 2.069 416 Y HA -0.336 4.214 4.550 -0.001 0.000 0.278 416 Y C 1.580 177.105 175.900 -0.625 0.000 1.175 416 Y CA 1.769 59.183 58.100 -1.144 0.000 1.134 416 Y CB -0.416 37.228 38.460 -1.360 0.000 0.965 416 Y HN -0.087 nan 8.280 nan 0.000 0.498 417 F N 0.522 120.285 119.950 -0.313 0.000 2.234 417 F HA -0.143 4.384 4.527 -0.001 0.000 0.299 417 F C 2.627 178.285 175.800 -0.237 0.000 1.087 417 F CA 1.751 59.580 58.000 -0.285 0.000 1.340 417 F CB -0.663 38.300 39.000 -0.061 0.000 1.031 417 F HN 0.166 nan 8.300 nan 0.000 0.500 418 E N 0.348 120.537 120.200 -0.018 0.000 2.150 418 E HA -0.174 4.175 4.350 -0.001 0.000 0.193 418 E C 1.951 178.490 176.600 -0.102 0.000 0.985 418 E CA 0.960 57.345 56.400 -0.025 0.000 0.814 418 E CB -0.035 29.670 29.700 0.009 0.000 0.752 418 E HN 0.383 nan 8.360 nan 0.000 0.466 419 Q N 0.380 120.072 119.800 -0.181 0.000 2.079 419 Q HA -0.125 4.215 4.340 -0.001 0.000 0.200 419 Q C 2.360 178.196 176.000 -0.274 0.000 0.974 419 Q CA 0.708 56.374 55.803 -0.229 0.000 0.840 419 Q CB -0.478 28.162 28.738 -0.163 0.000 0.898 419 Q HN 0.269 nan 8.270 nan 0.000 0.430 420 L N 0.820 121.870 121.223 -0.288 0.000 2.046 420 L HA -0.076 4.264 4.340 -0.001 0.000 0.208 420 L C 2.130 178.958 176.870 -0.070 0.000 1.077 420 L CA 2.086 56.849 54.840 -0.127 0.000 0.747 420 L CB -0.835 41.032 42.059 -0.320 0.000 0.896 420 L HN 0.117 nan 8.230 nan 0.000 0.432 421 A N -0.419 122.359 122.820 -0.070 0.000 1.933 421 A HA -0.258 4.062 4.320 -0.001 0.000 0.218 421 A C 2.520 180.077 177.584 -0.045 0.000 1.175 421 A CA 1.722 53.742 52.037 -0.027 0.000 0.628 421 A CB -0.690 18.305 19.000 -0.008 0.000 0.814 421 A HN 0.529 nan 8.150 nan 0.000 0.444 422 R N 0.263 120.716 120.500 -0.078 0.000 2.105 422 R HA -0.144 4.196 4.340 -0.001 0.000 0.239 422 R C 1.764 178.016 176.300 -0.080 0.000 1.135 422 R CA 2.010 58.059 56.100 -0.085 0.000 0.967 422 R CB -0.442 29.784 30.300 -0.122 0.000 0.861 422 R HN 0.736 nan 8.270 nan 0.000 0.442 423 I N -2.107 118.412 120.570 -0.086 0.000 3.883 423 I HA 0.228 4.397 4.170 -0.001 0.000 0.326 423 I C -0.269 175.835 176.117 -0.022 0.000 1.283 423 I CA -0.252 61.013 61.300 -0.058 0.000 1.161 423 I CB 0.700 38.666 38.000 -0.058 0.000 1.012 423 I HN -0.158 nan 8.210 nan 0.000 0.421 424 S N 2.717 118.408 115.700 -0.015 0.000 2.499 424 S HA 0.362 4.832 4.470 -0.001 0.000 0.275 424 S C -0.080 174.517 174.600 -0.006 0.000 1.257 424 S CA -0.475 57.725 58.200 -0.000 0.000 1.050 424 S CB 0.634 63.841 63.200 0.011 0.000 0.937 424 S HN 0.313 nan 8.310 nan 0.000 0.490 425 Q N 1.190 120.987 119.800 -0.004 0.000 2.387 425 Q HA 0.580 4.920 4.340 -0.001 0.000 0.273 425 Q C 0.417 176.417 176.000 -0.001 0.000 1.089 425 Q CA -0.734 55.065 55.803 -0.006 0.000 0.824 425 Q CB 1.774 30.505 28.738 -0.010 0.000 1.367 425 Q HN 0.638 nan 8.270 nan 0.000 0.443 426 A N 0.184 123.003 122.820 -0.001 0.000 2.095 426 A HA 0.504 4.823 4.320 -0.001 0.000 0.212 426 A C 0.661 178.245 177.584 0.001 0.000 1.162 426 A CA 1.176 53.215 52.037 0.002 0.000 0.753 426 A CB 0.254 19.255 19.000 0.002 0.000 0.840 426 A HN 0.647 nan 8.150 nan 0.000 0.468 427 A N 0.000 122.819 122.820 -0.002 0.000 2.254 427 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 427 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 427 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 427 A HN 0.000 nan 8.150 nan 0.000 0.486