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 3m8l_1_B DATA FIRST_RESID 133 DATA SEQUENCE PEQGTTVGGV IAEPSVQMSA AADMATGKSV DSEWEAFFSF HTSVNWSTSE DATA SEQUENCE TQGKILFKQS LGPLLNPYLT HLAKLYVAWS GSIEVRFSIS GSGVFGGKLA DATA SEQUENCE AIVVPPGIEP IQSTSMLQYP HVLFDARQVE PVIFTIPDLR STLYHLMSDT DATA SEQUENCE DTTSLVIMIY NDLINPYAND SNSSGCIVTV ETKPGPDFKF HLLKPPGSML DATA SEQUENCE THGSVPCDLI PKSSSLWIGN RFWSDITDFV IRPFVFQANR HFDFNQETAG DATA SEQUENCE WSTPRFRPIT VTISQKEGEM LGIGVATDYI VPGIPDGWPD TTIPNELIPA DATA SEQUENCE GDYAITNQSG NDIQTKEEYE SAMIISNNTN FKSMYICGSL QRAWGNKKVS DATA SEQUENCE NTAFITTATV KENKLIPSNT IDQTKIAIFQ DNHVNRDVQT SDDTLALLGY DATA SEQUENCE TGIGEEAIGA DREKVVRIGV LPEAGARGGN HPIFYRNSMK LGYVIKSIDV DATA SEQUENCE FNSQILHTSR QLSLNNYLLS PDSFAVYRII DSNGSWFDIG IDSDGFSFVG DATA SEQUENCE VSSIGKLEFP LTASYMGNQL AKIRLASNIR 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 133 P HA 0.000 nan 4.420 nan 0.000 0.216 133 P C 0.000 177.295 177.300 -0.009 0.000 1.155 133 P CA 0.000 63.094 63.100 -0.009 0.000 0.800 133 P CB 0.000 31.694 31.700 -0.011 0.000 0.726 134 E N 1.939 122.134 120.200 -0.007 0.000 2.081 134 E HA 0.406 4.756 4.350 0.000 0.000 0.276 134 E C -0.428 176.169 176.600 -0.005 0.000 0.950 134 E CA 0.060 56.456 56.400 -0.006 0.000 0.776 134 E CB 2.365 32.062 29.700 -0.005 0.000 1.094 134 E HN 0.390 nan 8.360 nan 0.000 0.402 135 Q N 1.593 121.390 119.800 -0.005 0.000 2.356 135 Q HA 0.570 4.910 4.340 0.000 0.000 0.270 135 Q C -0.531 175.467 176.000 -0.004 0.000 1.058 135 Q CA -0.524 55.276 55.803 -0.004 0.000 0.802 135 Q CB 1.810 30.545 28.738 -0.005 0.000 1.303 135 Q HN 0.717 nan 8.270 nan 0.000 0.444 136 G N 1.379 110.177 108.800 -0.003 0.000 2.459 136 G HA2 -0.092 3.868 3.960 0.000 0.000 0.685 136 G HA3 -0.092 3.868 3.960 0.000 0.000 0.685 136 G C -0.572 174.326 174.900 -0.003 0.000 1.303 136 G CA -0.478 44.620 45.100 -0.003 0.000 0.907 136 G HN 0.640 nan 8.290 nan 0.000 0.632 137 T N -0.812 113.740 114.554 -0.003 0.000 2.729 137 T HA 0.670 5.020 4.350 0.000 0.000 0.298 137 T C 0.500 175.199 174.700 -0.002 0.000 1.013 137 T CA 0.518 62.617 62.100 -0.002 0.000 0.957 137 T CB 1.549 70.416 68.868 -0.002 0.000 1.130 137 T HN 1.419 nan 8.240 nan 0.000 0.526 138 T N -0.067 114.486 114.554 -0.002 0.000 2.993 138 T HA 0.572 4.922 4.350 0.000 0.000 0.312 138 T C -1.649 173.050 174.700 -0.002 0.000 1.115 138 T CA -0.579 61.519 62.100 -0.002 0.000 1.027 138 T CB 0.871 69.738 68.868 -0.002 0.000 1.116 138 T HN 0.477 nan 8.240 nan 0.000 0.464 139 V N 2.783 122.695 119.914 -0.002 0.000 2.971 139 V HA 0.844 4.964 4.120 0.000 0.000 0.309 139 V C 0.774 176.867 176.094 -0.002 0.000 1.130 139 V CA -0.880 61.419 62.300 -0.002 0.000 0.964 139 V CB 2.209 34.031 31.823 -0.002 0.000 1.029 139 V HN 1.078 nan 8.190 nan 0.000 0.427 140 G N 0.695 109.494 108.800 -0.001 0.000 2.425 140 G HA2 0.526 4.486 3.960 0.000 0.000 0.302 140 G HA3 0.526 4.486 3.960 0.000 0.000 0.302 140 G C 0.447 175.347 174.900 -0.001 0.000 1.159 140 G CA 0.003 45.102 45.100 -0.001 0.000 0.865 140 G HN 1.207 nan 8.290 nan 0.000 0.515 141 G N -0.542 108.258 108.800 -0.001 0.000 4.125 141 G HA2 0.377 4.338 3.960 0.000 0.000 0.301 141 G HA3 0.377 4.338 3.960 0.000 0.000 0.301 141 G C 0.920 175.819 174.900 -0.001 0.000 1.273 141 G CA 0.324 45.423 45.100 -0.001 0.000 1.095 141 G HN 1.096 nan 8.290 nan 0.000 0.582 142 V N -0.107 119.806 119.914 -0.001 0.000 1.595 142 V HA -0.273 3.847 4.120 0.000 0.000 0.028 142 V C 1.048 177.142 176.094 -0.001 0.000 0.707 142 V CA 2.304 64.603 62.300 -0.001 0.000 1.643 142 V CB -1.275 30.547 31.823 -0.001 0.000 1.754 142 V HN 0.806 nan 8.190 nan 0.000 0.760 143 I N -1.724 118.845 120.570 -0.001 0.000 2.833 143 I HA 0.793 4.963 4.170 0.000 0.000 0.286 143 I C 0.107 176.224 176.117 -0.001 0.000 1.287 143 I CA 0.128 61.427 61.300 -0.001 0.000 1.046 143 I CB 0.681 38.681 38.000 -0.001 0.000 1.612 143 I HN 0.154 nan 8.210 nan 0.000 0.585 144 A N 3.333 126.153 122.820 -0.000 0.000 2.340 144 A HA 0.436 4.756 4.320 0.000 0.000 0.268 144 A C 0.247 177.831 177.584 0.000 0.000 1.100 144 A CA -0.299 51.738 52.037 -0.000 0.000 0.803 144 A CB 0.842 19.842 19.000 -0.000 0.000 1.043 144 A HN 0.608 nan 8.150 nan 0.000 0.488 145 E N 1.978 122.178 120.200 0.000 0.000 2.289 145 E HA 0.248 4.598 4.350 0.000 0.000 0.278 145 E C -1.985 174.616 176.600 0.001 0.000 1.032 145 E CA -1.647 54.754 56.400 0.001 0.000 0.854 145 E CB 0.958 30.658 29.700 0.001 0.000 1.046 145 E HN 0.411 nan 8.360 nan 0.000 0.409 146 P HA 0.094 nan 4.420 nan 0.000 0.226 146 P C 0.476 177.778 177.300 0.003 0.000 1.783 146 P CA -0.060 63.041 63.100 0.002 0.000 0.980 146 P CB 0.199 31.900 31.700 0.002 0.000 1.967 147 S N 0.910 116.611 115.700 0.003 0.000 1.931 147 S HA -0.312 4.158 4.470 0.000 0.000 0.521 147 S C 1.867 176.469 174.600 0.005 0.000 0.931 147 S CA 2.641 60.843 58.200 0.004 0.000 3.252 147 S CB -1.776 61.426 63.200 0.004 0.000 2.277 147 S HN 0.358 nan 8.310 nan 0.000 0.559 148 V N 3.432 123.349 119.914 0.005 0.000 2.322 148 V HA -0.413 3.707 4.120 0.000 0.000 0.227 148 V C 2.343 178.440 176.094 0.005 0.000 0.952 148 V CA 2.753 65.056 62.300 0.005 0.000 1.031 148 V CB -1.872 29.953 31.823 0.004 0.000 0.690 148 V HN 0.826 nan 8.190 nan 0.000 0.518 149 Q N -0.392 119.410 119.800 0.004 0.000 2.440 149 Q HA -0.392 3.948 4.340 0.000 0.000 0.228 149 Q C 2.046 178.049 176.000 0.004 0.000 1.100 149 Q CA 2.749 58.554 55.803 0.004 0.000 0.991 149 Q CB -1.164 27.576 28.738 0.003 0.000 1.027 149 Q HN 0.682 nan 8.270 nan 0.000 0.528 150 M N 1.429 121.032 119.600 0.004 0.000 2.334 150 M HA -0.124 4.356 4.480 0.000 0.000 0.265 150 M C 2.771 179.074 176.300 0.006 0.000 1.085 150 M CA 2.223 57.525 55.300 0.004 0.000 1.093 150 M CB -1.594 31.008 32.600 0.004 0.000 1.237 150 M HN 0.633 nan 8.290 nan 0.000 0.457 151 S N 1.027 116.731 115.700 0.006 0.000 2.365 151 S HA -0.117 4.353 4.470 0.000 0.000 0.225 151 S C 1.851 176.457 174.600 0.010 0.000 1.039 151 S CA 1.408 59.613 58.200 0.009 0.000 1.033 151 S CB -1.078 62.128 63.200 0.010 0.000 0.887 151 S HN 0.520 nan 8.310 nan 0.000 0.447 152 A N 0.623 123.448 122.820 0.009 0.000 2.247 152 A HA 0.615 4.935 4.320 0.000 0.000 0.205 152 A C 1.722 179.311 177.584 0.008 0.000 1.261 152 A CA 0.977 53.020 52.037 0.009 0.000 0.853 152 A CB -0.985 18.019 19.000 0.008 0.000 0.793 152 A HN 0.885 nan 8.150 nan 0.000 0.487 153 A N -1.535 121.289 122.820 0.008 0.000 1.852 153 A HA 0.552 4.872 4.320 0.000 0.000 0.205 153 A C 2.176 179.765 177.584 0.008 0.000 1.757 153 A CA 1.130 53.171 52.037 0.007 0.000 1.088 153 A CB -1.105 17.898 19.000 0.005 0.000 1.079 153 A HN 1.099 nan 8.150 nan 0.000 0.524 154 A N 2.266 125.090 122.820 0.008 0.000 1.893 154 A HA -0.412 3.908 4.320 0.000 0.000 0.222 154 A C 1.768 179.357 177.584 0.010 0.000 1.309 154 A CA 2.779 54.821 52.037 0.008 0.000 0.681 154 A CB -1.508 17.497 19.000 0.008 0.000 0.842 154 A HN 0.740 nan 8.150 nan 0.000 0.468 155 D N -0.858 119.550 120.400 0.013 0.000 2.248 155 D HA -0.324 4.316 4.640 0.000 0.000 0.189 155 D C 1.864 178.171 176.300 0.012 0.000 1.011 155 D CA 2.020 56.030 54.000 0.016 0.000 0.868 155 D CB -0.694 40.117 40.800 0.019 0.000 0.931 155 D HN 0.401 nan 8.370 nan 0.000 0.449 156 M N 1.436 121.042 119.600 0.010 0.000 2.471 156 M HA -0.193 4.287 4.480 0.000 0.000 0.260 156 M C 2.499 178.803 176.300 0.007 0.000 1.065 156 M CA 1.981 57.286 55.300 0.008 0.000 1.075 156 M CB -1.331 31.273 32.600 0.007 0.000 1.258 156 M HN 0.222 nan 8.290 nan 0.000 0.457 157 A N -1.171 121.653 122.820 0.006 0.000 2.255 157 A HA 0.016 4.336 4.320 0.000 0.000 0.206 157 A C 1.549 179.136 177.584 0.005 0.000 1.193 157 A CA 1.272 53.311 52.037 0.005 0.000 0.794 157 A CB -0.753 18.249 19.000 0.004 0.000 0.794 157 A HN 0.618 nan 8.150 nan 0.000 0.481 158 T N -2.004 112.555 114.554 0.007 0.000 3.044 158 T HA 0.389 4.739 4.350 0.000 0.000 0.260 158 T C 1.623 176.329 174.700 0.009 0.000 1.019 158 T CA 0.681 62.786 62.100 0.009 0.000 0.921 158 T CB 0.479 69.354 68.868 0.013 0.000 1.053 158 T HN 1.114 nan 8.240 nan 0.000 0.533 159 G N 2.807 111.612 108.800 0.008 0.000 2.623 159 G HA2 -0.419 3.541 3.960 0.000 0.000 0.241 159 G HA3 -0.419 3.541 3.960 0.000 0.000 0.241 159 G C 0.503 175.410 174.900 0.013 0.000 1.114 159 G CA 0.953 46.057 45.100 0.008 0.000 0.682 159 G HN 0.729 nan 8.290 nan 0.000 0.524 160 K N 1.654 122.065 120.400 0.018 0.000 2.397 160 K HA 0.265 4.585 4.320 0.000 0.000 0.263 160 K C 0.900 177.516 176.600 0.027 0.000 1.143 160 K CA 1.549 57.853 56.287 0.029 0.000 1.207 160 K CB 0.079 32.599 32.500 0.035 0.000 0.804 160 K HN 0.290 nan 8.250 nan 0.000 0.494 161 S N 2.674 118.391 115.700 0.028 0.000 3.627 161 S HA 0.127 4.597 4.470 0.000 0.000 0.190 161 S C -0.560 174.055 174.600 0.024 0.000 0.880 161 S CA 0.071 58.284 58.200 0.022 0.000 0.894 161 S CB 0.233 63.442 63.200 0.014 0.000 1.095 161 S HN 0.418 nan 8.310 nan 0.000 0.655 162 V N 5.414 125.341 119.914 0.023 0.000 2.442 162 V HA -0.018 4.102 4.120 0.000 0.000 0.272 162 V C 1.490 177.605 176.094 0.034 0.000 0.989 162 V CA 0.304 62.612 62.300 0.014 0.000 1.123 162 V CB -0.668 31.159 31.823 0.007 0.000 1.008 162 V HN 0.567 nan 8.190 nan 0.000 0.469 163 D N 4.233 124.650 120.400 0.028 0.000 2.269 163 D HA -0.214 4.426 4.640 0.000 0.000 0.191 163 D C 1.142 177.509 176.300 0.112 0.000 1.007 163 D CA 2.200 56.237 54.000 0.063 0.000 0.855 163 D CB 0.279 41.102 40.800 0.038 0.000 0.979 163 D HN 0.585 nan 8.370 nan 0.000 0.452 164 S N 1.344 117.029 115.700 -0.025 0.000 3.965 164 S HA 0.029 4.499 4.470 0.000 0.000 0.195 164 S C 0.744 175.237 174.600 -0.178 0.000 1.449 164 S CA -0.404 57.646 58.200 -0.250 0.000 0.965 164 S CB 0.364 63.061 63.200 -0.839 0.000 1.459 164 S HN 0.321 nan 8.310 nan 0.000 0.476 165 E N 0.824 121.097 120.200 0.122 0.000 2.520 165 E HA -0.140 4.210 4.350 0.000 0.000 0.201 165 E C 0.712 177.482 176.600 0.283 0.000 1.122 165 E CA 0.230 56.712 56.400 0.137 0.000 0.896 165 E CB -0.379 29.399 29.700 0.130 0.000 0.891 165 E HN 0.965 nan 8.360 nan 0.000 0.533 166 W N 0.351 121.723 121.300 0.119 0.000 3.008 166 W HA 0.424 5.084 4.660 0.000 0.000 0.355 166 W C 0.607 176.996 176.519 -0.217 0.000 1.095 166 W CA -0.506 56.868 57.345 0.049 0.000 1.738 166 W CB 0.370 29.832 29.460 0.004 0.000 1.091 166 W HN -0.157 nan 8.180 nan 0.000 0.574 167 E N 0.418 120.290 120.200 -0.546 0.000 2.624 167 E HA 0.336 4.686 4.350 0.000 0.000 0.210 167 E C 1.094 177.492 176.600 -0.336 0.000 0.997 167 E CA 0.248 56.334 56.400 -0.523 0.000 0.999 167 E CB 0.918 30.259 29.700 -0.599 0.000 1.040 167 E HN 0.272 nan 8.360 nan 0.000 0.469 168 A N 0.498 123.185 122.820 -0.221 0.000 2.628 168 A HA 0.277 4.597 4.320 0.000 0.000 0.267 168 A C -0.206 177.345 177.584 -0.055 0.000 1.159 168 A CA -0.413 51.543 52.037 -0.135 0.000 0.972 168 A CB 0.092 19.057 19.000 -0.059 0.000 1.211 168 A HN 0.247 nan 8.150 nan 0.000 0.576 169 F N -2.741 117.075 119.950 -0.224 0.000 2.576 169 F HA 0.833 5.360 4.527 0.000 0.000 0.313 169 F C -1.286 174.385 175.800 -0.215 0.000 1.078 169 F CA -2.065 55.844 58.000 -0.151 0.000 0.921 169 F CB 0.730 39.693 39.000 -0.063 0.000 1.232 169 F HN -0.101 nan 8.300 nan 0.000 0.459 170 F N 2.293 122.185 119.950 -0.095 0.000 2.396 170 F HA 0.492 5.019 4.527 0.000 0.000 0.343 170 F C 0.896 176.655 175.800 -0.069 0.000 1.104 170 F CA 0.175 58.067 58.000 -0.181 0.000 1.161 170 F CB 1.569 40.555 39.000 -0.024 0.000 1.146 170 F HN 0.687 nan 8.300 nan 0.000 0.522 171 S N 2.626 118.350 115.700 0.039 0.000 2.337 171 S HA 0.496 4.966 4.470 0.000 0.000 0.258 171 S C -1.280 173.547 174.600 0.377 0.000 1.178 171 S CA -0.350 58.001 58.200 0.252 0.000 1.023 171 S CB 0.720 64.002 63.200 0.137 0.000 1.136 171 S HN 0.435 nan 8.310 nan 0.000 0.458 172 F N 0.853 120.896 119.950 0.154 0.000 2.689 172 F HA 0.449 4.976 4.527 0.000 0.000 0.332 172 F C -0.185 175.697 175.800 0.136 0.000 1.209 172 F CA -0.761 57.306 58.000 0.113 0.000 1.028 172 F CB 0.559 39.621 39.000 0.103 0.000 1.291 172 F HN 0.728 nan 8.300 nan 0.000 0.500 173 H N 2.698 121.473 119.070 -0.492 0.000 2.599 173 H HA 0.424 4.980 4.556 0.000 0.000 0.330 173 H C -0.045 174.711 175.328 -0.953 0.000 1.312 173 H CA 0.756 56.476 56.048 -0.547 0.000 1.985 173 H CB 0.607 30.252 29.762 -0.195 0.000 1.570 173 H HN 0.564 nan 8.280 nan 0.000 0.647 174 T N -0.959 113.268 114.554 -0.545 0.000 2.889 174 T HA 0.343 4.693 4.350 0.000 0.000 0.278 174 T C -0.877 173.686 174.700 -0.228 0.000 0.995 174 T CA -0.809 60.994 62.100 -0.494 0.000 0.966 174 T CB 1.520 70.115 68.868 -0.456 0.000 1.237 174 T HN 0.323 nan 8.240 nan 0.000 0.591 175 S N 0.784 116.427 115.700 -0.095 0.000 2.357 175 S HA 0.451 4.921 4.470 0.000 0.000 0.209 175 S C -1.338 173.234 174.600 -0.046 0.000 0.981 175 S CA -0.602 57.618 58.200 0.033 0.000 1.106 175 S CB 0.066 63.437 63.200 0.284 0.000 1.266 175 S HN 0.475 nan 8.310 nan 0.000 0.410 176 V N 6.079 125.926 119.914 -0.112 0.000 2.483 176 V HA 0.534 4.654 4.120 0.000 0.000 0.295 176 V C 0.272 176.367 176.094 0.001 0.000 1.035 176 V CA -1.048 61.192 62.300 -0.100 0.000 0.896 176 V CB 1.817 33.519 31.823 -0.202 0.000 0.986 176 V HN 0.911 nan 8.190 nan 0.000 0.447 177 N N 3.248 121.977 118.700 0.049 0.000 2.529 177 N HA 0.085 4.825 4.740 0.000 0.000 0.278 177 N C -1.086 174.555 175.510 0.218 0.000 1.146 177 N CA -0.451 52.669 53.050 0.116 0.000 0.980 177 N CB 1.411 39.951 38.487 0.088 0.000 1.124 177 N HN 0.726 nan 8.380 nan 0.000 0.458 178 W N 2.786 124.084 121.300 -0.003 0.000 2.429 178 W HA 0.511 5.171 4.660 0.000 0.000 0.314 178 W C -0.360 176.139 176.519 -0.033 0.000 1.062 178 W CA -0.940 56.402 57.345 -0.006 0.000 1.211 178 W CB 0.904 30.342 29.460 -0.037 0.000 1.305 178 W HN 0.584 nan 8.180 nan 0.000 0.476 179 S N 2.300 117.903 115.700 -0.161 0.000 2.776 179 S HA 0.520 4.990 4.470 0.000 0.000 0.306 179 S C 0.961 175.251 174.600 -0.517 0.000 1.114 179 S CA 0.098 58.092 58.200 -0.344 0.000 0.973 179 S CB 1.129 64.271 63.200 -0.097 0.000 1.250 179 S HN 0.510 nan 8.310 nan 0.000 0.549 180 T N 0.077 114.415 114.554 -0.359 0.000 3.051 180 T HA 0.058 4.408 4.350 0.000 0.000 0.255 180 T C 1.676 176.300 174.700 -0.128 0.000 1.085 180 T CA 0.814 62.737 62.100 -0.295 0.000 1.109 180 T CB -0.549 68.165 68.868 -0.257 0.000 0.921 180 T HN 0.516 nan 8.240 nan 0.000 0.488 181 S N 1.525 117.176 115.700 -0.082 0.000 2.515 181 S HA -0.003 4.467 4.470 0.000 0.000 0.231 181 S C 0.599 175.208 174.600 0.015 0.000 0.987 181 S CA 0.148 58.331 58.200 -0.029 0.000 0.936 181 S CB -0.383 62.804 63.200 -0.022 0.000 0.766 181 S HN 0.490 nan 8.310 nan 0.000 0.528 182 E N 2.745 122.980 120.200 0.058 0.000 2.299 182 E HA 0.148 4.498 4.350 0.000 0.000 0.272 182 E C -0.025 176.657 176.600 0.136 0.000 1.043 182 E CA 0.103 56.593 56.400 0.151 0.000 0.895 182 E CB 0.400 30.302 29.700 0.336 0.000 1.011 182 E HN 0.165 nan 8.360 nan 0.000 0.432 183 T N 2.325 116.936 114.554 0.096 0.000 2.869 183 T HA -0.026 4.324 4.350 0.000 0.000 0.295 183 T C 0.258 175.003 174.700 0.074 0.000 0.987 183 T CA -0.609 61.532 62.100 0.068 0.000 1.109 183 T CB 0.600 69.490 68.868 0.036 0.000 0.932 183 T HN 0.441 nan 8.240 nan 0.000 0.518 184 Q N 3.153 122.987 119.800 0.057 0.000 2.478 184 Q HA 0.108 4.448 4.340 0.000 0.000 0.323 184 Q C 1.097 177.095 176.000 -0.003 0.000 1.087 184 Q CA 1.437 57.257 55.803 0.029 0.000 1.056 184 Q CB -0.585 28.142 28.738 -0.019 0.000 1.018 184 Q HN 1.191 nan 8.270 nan 0.000 0.387 185 G N 3.743 112.542 108.800 -0.002 0.000 2.253 185 G HA2 -0.251 3.709 3.960 0.000 0.000 0.209 185 G HA3 -0.251 3.709 3.960 0.000 0.000 0.209 185 G C 0.018 174.925 174.900 0.012 0.000 0.997 185 G CA 0.040 45.131 45.100 -0.015 0.000 0.640 185 G HN 0.621 nan 8.290 nan 0.000 0.496 186 K N 1.867 122.292 120.400 0.043 0.000 2.412 186 K HA 0.342 4.663 4.320 0.000 0.000 0.284 186 K C 0.970 177.614 176.600 0.074 0.000 1.046 186 K CA -0.653 55.678 56.287 0.074 0.000 0.999 186 K CB 0.079 32.647 32.500 0.113 0.000 0.941 186 K HN 0.119 nan 8.250 nan 0.000 0.474 187 I N 5.743 126.360 120.570 0.077 0.000 2.826 187 I HA -0.179 3.991 4.170 0.000 0.000 0.295 187 I C 1.211 177.398 176.117 0.116 0.000 1.213 187 I CA 0.783 62.126 61.300 0.073 0.000 1.436 187 I CB 0.171 38.214 38.000 0.071 0.000 1.348 187 I HN 0.827 nan 8.210 nan 0.000 0.570 188 L N 6.853 128.131 121.223 0.092 0.000 2.731 188 L HA 0.229 4.569 4.340 0.000 0.000 0.240 188 L C -0.581 176.427 176.870 0.230 0.000 1.120 188 L CA 0.215 55.123 54.840 0.113 0.000 0.913 188 L CB 0.527 42.582 42.059 -0.007 0.000 1.213 188 L HN 0.528 nan 8.230 nan 0.000 0.515 189 F N 1.159 121.107 119.950 -0.004 0.000 3.692 189 F HA 0.198 4.725 4.527 0.000 0.000 0.410 189 F C -0.826 174.995 175.800 0.036 0.000 1.124 189 F CA -1.037 56.971 58.000 0.012 0.000 1.474 189 F CB 0.278 39.318 39.000 0.067 0.000 2.346 189 F HN -0.261 nan 8.300 nan 0.000 0.789 190 K N 4.546 124.821 120.400 -0.207 0.000 2.266 190 K HA 0.496 4.816 4.320 0.000 0.000 0.274 190 K C -0.875 175.499 176.600 -0.376 0.000 1.090 190 K CA -0.163 55.974 56.287 -0.250 0.000 0.925 190 K CB 1.009 33.459 32.500 -0.082 0.000 1.225 190 K HN 0.642 nan 8.250 nan 0.000 0.458 191 Q N 1.783 121.288 119.800 -0.491 0.000 2.423 191 Q HA 0.376 4.716 4.340 0.000 0.000 0.278 191 Q C -1.519 174.383 176.000 -0.163 0.000 1.097 191 Q CA -0.546 55.048 55.803 -0.348 0.000 0.809 191 Q CB 2.339 30.773 28.738 -0.506 0.000 1.391 191 Q HN 0.512 nan 8.270 nan 0.000 0.428 192 S N 1.933 117.588 115.700 -0.075 0.000 2.509 192 S HA 0.471 4.941 4.470 0.000 0.000 0.297 192 S C -1.018 173.589 174.600 0.013 0.000 1.118 192 S CA -0.672 57.514 58.200 -0.024 0.000 1.074 192 S CB 0.822 64.017 63.200 -0.008 0.000 1.038 192 S HN 0.708 nan 8.310 nan 0.000 0.498 193 L N 3.551 124.806 121.223 0.053 0.000 2.584 193 L HA 0.473 4.813 4.340 0.000 0.000 0.272 193 L C 0.420 177.389 176.870 0.166 0.000 1.195 193 L CA 1.323 56.231 54.840 0.114 0.000 0.920 193 L CB -0.760 41.406 42.059 0.178 0.000 1.173 193 L HN 0.793 nan 8.230 nan 0.000 0.489 194 G N 4.158 112.914 108.800 -0.074 0.000 2.466 194 G HA2 0.318 4.278 3.960 0.000 0.000 0.291 194 G HA3 0.318 4.278 3.960 0.000 0.000 0.291 194 G C -2.694 171.831 174.900 -0.624 0.000 1.460 194 G CA -0.122 44.677 45.100 -0.502 0.000 0.791 194 G HN 0.351 nan 8.290 nan 0.000 0.505 195 P HA -0.039 nan 4.420 nan 0.000 0.228 195 P C 1.437 178.578 177.300 -0.266 0.000 1.151 195 P CA 0.609 63.406 63.100 -0.505 0.000 0.770 195 P CB 0.160 31.592 31.700 -0.448 0.000 0.786 196 L N -1.576 119.501 121.223 -0.243 0.000 2.650 196 L HA 0.045 4.385 4.340 0.000 0.000 0.235 196 L C 2.327 179.109 176.870 -0.147 0.000 1.149 196 L CA 0.194 54.942 54.840 -0.152 0.000 0.887 196 L CB -0.783 41.215 42.059 -0.103 0.000 1.021 196 L HN -0.076 nan 8.230 nan 0.000 0.441 197 L N -0.930 120.186 121.223 -0.179 0.000 2.130 197 L HA 0.072 4.412 4.340 0.000 0.000 0.200 197 L C 1.220 177.862 176.870 -0.381 0.000 1.075 197 L CA 0.558 55.298 54.840 -0.167 0.000 0.768 197 L CB -0.102 41.924 42.059 -0.055 0.000 0.933 197 L HN 0.372 nan 8.230 nan 0.000 0.451 198 N N 0.056 118.626 118.700 -0.216 0.000 2.405 198 N HA 0.154 4.894 4.740 0.000 0.000 0.299 198 N C -2.132 173.352 175.510 -0.044 0.000 1.075 198 N CA -1.945 51.031 53.050 -0.123 0.000 0.884 198 N CB 2.408 40.875 38.487 -0.033 0.000 1.194 198 N HN -0.217 nan 8.380 nan 0.000 0.491 199 P HA -0.163 nan 4.420 nan 0.000 0.214 199 P C 0.924 178.273 177.300 0.082 0.000 1.163 199 P CA 1.458 64.587 63.100 0.048 0.000 0.883 199 P CB 0.046 31.794 31.700 0.080 0.000 0.788 200 Y N 0.557 120.897 120.300 0.068 0.000 1.979 200 Y HA -0.227 4.323 4.550 0.000 0.000 0.262 200 Y C 2.892 178.859 175.900 0.112 0.000 1.142 200 Y CA 1.324 59.470 58.100 0.078 0.000 1.096 200 Y CB -1.951 36.632 38.460 0.205 0.000 0.958 200 Y HN -0.235 nan 8.280 nan 0.000 0.484 201 L N -0.971 120.481 121.223 0.382 0.000 2.085 201 L HA -0.387 3.953 4.340 0.000 0.000 0.218 201 L C 2.282 179.298 176.870 0.244 0.000 1.080 201 L CA 2.064 57.143 54.840 0.398 0.000 0.776 201 L CB -1.346 40.864 42.059 0.252 0.000 0.891 201 L HN 0.350 nan 8.230 nan 0.000 0.437 202 T N -2.284 112.329 114.554 0.097 0.000 2.643 202 T HA -0.237 4.113 4.350 0.000 0.000 0.264 202 T C 1.912 176.602 174.700 -0.016 0.000 1.045 202 T CA 1.374 63.480 62.100 0.009 0.000 1.155 202 T CB -0.384 68.458 68.868 -0.044 0.000 0.863 202 T HN 0.375 nan 8.240 nan 0.000 0.420 203 H N 0.606 119.637 119.070 -0.066 0.000 2.518 203 H HA 0.125 4.681 4.556 0.000 0.000 0.289 203 H C 1.990 177.256 175.328 -0.103 0.000 1.051 203 H CA 0.795 56.782 56.048 -0.101 0.000 1.280 203 H CB -0.204 29.452 29.762 -0.176 0.000 1.380 203 H HN 0.287 nan 8.280 nan 0.000 0.566 204 L N -0.664 120.560 121.223 0.002 0.000 2.375 204 L HA 0.046 4.386 4.340 0.000 0.000 0.215 204 L C 2.794 179.560 176.870 -0.173 0.000 1.108 204 L CA 0.617 55.376 54.840 -0.134 0.000 0.830 204 L CB -0.199 41.682 42.059 -0.296 0.000 0.959 204 L HN 0.162 nan 8.230 nan 0.000 0.457 205 A N 0.338 123.178 122.820 0.032 0.000 1.902 205 A HA -0.218 4.102 4.320 0.000 0.000 0.217 205 A C 2.169 179.862 177.584 0.181 0.000 1.181 205 A CA 1.436 53.642 52.037 0.281 0.000 0.623 205 A CB -0.325 18.830 19.000 0.258 0.000 0.818 205 A HN 0.288 nan 8.150 nan 0.000 0.443 206 K N -0.665 119.756 120.400 0.035 0.000 2.442 206 K HA -0.064 4.256 4.320 0.000 0.000 0.200 206 K C 1.424 178.058 176.600 0.057 0.000 1.045 206 K CA 0.913 57.201 56.287 0.001 0.000 0.937 206 K CB -0.280 32.141 32.500 -0.132 0.000 0.757 206 K HN 0.495 nan 8.250 nan 0.000 0.474 207 L N -0.658 120.641 121.223 0.127 0.000 2.463 207 L HA 0.056 4.396 4.340 0.000 0.000 0.219 207 L C 0.499 177.446 176.870 0.130 0.000 1.088 207 L CA 0.171 55.084 54.840 0.122 0.000 0.849 207 L CB 0.266 42.415 42.059 0.150 0.000 1.012 207 L HN 0.042 nan 8.230 nan 0.000 0.468 208 Y N -2.567 117.789 120.300 0.094 0.000 2.943 208 Y HA 0.370 4.920 4.550 0.000 0.000 0.335 208 Y C 0.920 176.955 175.900 0.225 0.000 1.266 208 Y CA -0.608 57.608 58.100 0.193 0.000 1.123 208 Y CB 0.768 39.452 38.460 0.373 0.000 1.406 208 Y HN -0.483 nan 8.280 nan 0.000 0.707 209 V N -1.782 118.423 119.914 0.485 0.000 3.119 209 V HA 0.415 4.535 4.120 0.000 0.000 0.245 209 V C -0.080 176.276 176.094 0.438 0.000 1.598 209 V CA 0.263 62.780 62.300 0.362 0.000 1.116 209 V CB 0.472 32.443 31.823 0.247 0.000 0.981 209 V HN 0.648 nan 8.190 nan 0.000 0.430 210 A N 1.192 124.286 122.820 0.457 0.000 2.311 210 A HA 0.815 5.135 4.320 0.000 0.000 0.334 210 A C -1.418 176.449 177.584 0.471 0.000 1.139 210 A CA -0.438 51.843 52.037 0.407 0.000 0.830 210 A CB 1.361 20.419 19.000 0.097 0.000 1.234 210 A HN 0.670 nan 8.150 nan 0.000 0.483 211 W N 0.475 121.796 121.300 0.036 0.000 3.800 211 W HA 0.575 5.235 4.660 0.000 0.000 0.299 211 W C -1.306 175.190 176.519 -0.039 0.000 1.231 211 W CA -0.353 56.930 57.345 -0.102 0.000 1.232 211 W CB 0.487 29.859 29.460 -0.146 0.000 1.291 211 W HN 1.302 nan 8.180 nan 0.000 0.514 212 S N 2.720 118.374 115.700 -0.076 0.000 2.540 212 S HA 0.956 5.426 4.470 0.000 0.000 0.275 212 S C -0.365 174.344 174.600 0.183 0.000 1.123 212 S CA 0.127 58.234 58.200 -0.154 0.000 0.907 212 S CB 2.185 65.220 63.200 -0.276 0.000 1.081 212 S HN 2.241 nan 8.310 nan 0.000 0.476 213 G N 1.198 110.182 108.800 0.307 0.000 2.361 213 G HA2 0.374 4.334 3.960 0.000 0.000 0.331 213 G HA3 0.374 4.334 3.960 0.000 0.000 0.331 213 G C -0.992 174.144 174.900 0.394 0.000 1.324 213 G CA -0.506 44.857 45.100 0.439 0.000 0.984 213 G HN 1.030 nan 8.290 nan 0.000 0.586 214 S N -0.872 114.989 115.700 0.267 0.000 2.718 214 S HA 0.853 5.323 4.470 0.000 0.000 0.300 214 S C -0.309 174.324 174.600 0.054 0.000 1.117 214 S CA -0.712 57.577 58.200 0.148 0.000 1.002 214 S CB 1.181 64.453 63.200 0.121 0.000 1.092 214 S HN 0.637 nan 8.310 nan 0.000 0.542 215 I N 1.916 122.499 120.570 0.022 0.000 2.499 215 I HA 0.369 4.539 4.170 0.000 0.000 0.288 215 I C 0.106 176.268 176.117 0.075 0.000 1.048 215 I CA -0.553 60.730 61.300 -0.029 0.000 1.062 215 I CB 1.534 39.468 38.000 -0.109 0.000 1.238 215 I HN 0.652 nan 8.210 nan 0.000 0.426 216 E N 4.077 124.327 120.200 0.084 0.000 2.349 216 E HA 0.561 4.911 4.350 0.000 0.000 0.265 216 E C -0.998 175.784 176.600 0.304 0.000 1.064 216 E CA -0.522 56.007 56.400 0.214 0.000 0.886 216 E CB 2.094 31.926 29.700 0.220 0.000 1.036 216 E HN 0.283 nan 8.360 nan 0.000 0.413 217 V N 2.613 122.704 119.914 0.295 0.000 2.567 217 V HA 0.307 4.427 4.120 0.000 0.000 0.298 217 V C -0.464 175.496 176.094 -0.224 0.000 1.047 217 V CA -0.777 61.579 62.300 0.093 0.000 0.880 217 V CB 1.657 33.578 31.823 0.163 0.000 1.009 217 V HN 0.570 nan 8.190 nan 0.000 0.429 218 R N 3.667 123.838 120.500 -0.548 0.000 2.460 218 R HA 0.766 5.106 4.340 0.000 0.000 0.303 218 R C -1.753 174.181 176.300 -0.610 0.000 0.968 218 R CA -0.387 55.334 56.100 -0.632 0.000 0.889 218 R CB 1.271 30.922 30.300 -1.082 0.000 1.123 218 R HN 0.486 nan 8.270 nan 0.000 0.455 219 F N 1.140 121.001 119.950 -0.149 0.000 2.495 219 F HA 0.422 4.949 4.527 0.000 0.000 0.327 219 F C -0.158 175.644 175.800 0.004 0.000 1.103 219 F CA -0.655 57.330 58.000 -0.026 0.000 0.949 219 F CB 2.569 41.615 39.000 0.077 0.000 1.142 219 F HN 0.367 nan 8.300 nan 0.000 0.457 220 S N 3.528 119.306 115.700 0.131 0.000 2.449 220 S HA 0.700 5.170 4.470 0.000 0.000 0.310 220 S C -0.726 173.912 174.600 0.064 0.000 1.096 220 S CA -0.545 57.700 58.200 0.074 0.000 1.095 220 S CB 0.724 63.926 63.200 0.002 0.000 1.007 220 S HN 0.348 nan 8.310 nan 0.000 0.474 221 I N 1.727 122.326 120.570 0.049 0.000 2.359 221 I HA 0.549 4.719 4.170 0.000 0.000 0.294 221 I C 0.272 176.421 176.117 0.053 0.000 0.987 221 I CA -0.305 61.004 61.300 0.015 0.000 1.225 221 I CB 1.415 39.367 38.000 -0.081 0.000 1.366 221 I HN 0.357 nan 8.210 nan 0.000 0.466 222 S N 3.449 119.196 115.700 0.077 0.000 2.756 222 S HA 0.882 5.352 4.470 0.000 0.000 0.303 222 S C -0.275 174.413 174.600 0.145 0.000 1.135 222 S CA -0.669 57.581 58.200 0.084 0.000 1.066 222 S CB 1.383 64.616 63.200 0.055 0.000 1.008 222 S HN 1.104 nan 8.310 nan 0.000 0.482 223 G N 1.208 110.108 108.800 0.166 0.000 2.716 223 G HA2 0.416 4.376 3.960 0.000 0.000 0.299 223 G HA3 0.416 4.376 3.960 0.000 0.000 0.299 223 G C -0.711 174.209 174.900 0.034 0.000 1.450 223 G CA -0.611 44.686 45.100 0.328 0.000 0.968 223 G HN 0.571 nan 8.290 nan 0.000 0.566 224 S N 0.284 115.702 115.700 -0.470 0.000 2.642 224 S HA 0.214 4.684 4.470 0.000 0.000 0.308 224 S C 2.067 176.388 174.600 -0.465 0.000 1.255 224 S CA 1.073 58.894 58.200 -0.631 0.000 1.057 224 S CB 0.296 62.915 63.200 -0.968 0.000 0.785 224 S HN 1.726 nan 8.310 nan 0.000 0.500 225 G N 3.963 112.637 108.800 -0.210 0.000 2.545 225 G HA2 -0.222 3.738 3.960 0.000 0.000 0.222 225 G HA3 -0.222 3.738 3.960 0.000 0.000 0.222 225 G C 1.348 176.183 174.900 -0.108 0.000 1.126 225 G CA 1.203 46.244 45.100 -0.098 0.000 0.754 225 G HN 0.786 nan 8.290 nan 0.000 0.583 226 V N 0.488 120.275 119.914 -0.211 0.000 2.568 226 V HA -0.050 4.070 4.120 0.000 0.000 0.253 226 V C 1.810 177.866 176.094 -0.063 0.000 1.072 226 V CA 0.677 62.871 62.300 -0.177 0.000 1.084 226 V CB -0.971 30.688 31.823 -0.273 0.000 0.676 226 V HN 0.322 nan 8.190 nan 0.000 0.469 227 F N 0.230 120.132 119.950 -0.080 0.000 2.514 227 F HA 0.449 4.976 4.527 0.000 0.000 0.309 227 F C 1.127 176.898 175.800 -0.048 0.000 1.279 227 F CA 0.418 58.365 58.000 -0.087 0.000 1.304 227 F CB 0.187 39.138 39.000 -0.081 0.000 1.223 227 F HN 0.218 nan 8.300 nan 0.000 0.563 228 G N -0.910 107.999 108.800 0.181 0.000 2.703 228 G HA2 0.537 4.497 3.960 0.000 0.000 0.294 228 G HA3 0.537 4.497 3.960 0.000 0.000 0.294 228 G C -1.226 173.731 174.900 0.096 0.000 1.451 228 G CA -0.193 44.975 45.100 0.114 0.000 0.869 228 G HN 1.011 nan 8.290 nan 0.000 0.516 229 G N 0.147 109.057 108.800 0.183 0.000 2.380 229 G HA2 0.384 4.344 3.960 0.000 0.000 0.250 229 G HA3 0.384 4.344 3.960 0.000 0.000 0.250 229 G C -1.044 174.061 174.900 0.341 0.000 1.578 229 G CA -1.007 44.291 45.100 0.330 0.000 0.974 229 G HN 0.603 nan 8.290 nan 0.000 0.680 230 K N 0.728 121.276 120.400 0.246 0.000 2.156 230 K HA 0.772 5.092 4.320 0.000 0.000 0.254 230 K C -0.569 176.034 176.600 0.005 0.000 0.950 230 K CA -0.912 55.443 56.287 0.113 0.000 0.849 230 K CB 1.987 34.542 32.500 0.091 0.000 1.100 230 K HN 0.229 nan 8.250 nan 0.000 0.434 231 L N 1.760 122.898 121.223 -0.142 0.000 2.346 231 L HA 0.593 4.933 4.340 0.000 0.000 0.276 231 L C -0.737 176.099 176.870 -0.057 0.000 1.006 231 L CA -0.384 54.311 54.840 -0.242 0.000 0.817 231 L CB 1.739 43.494 42.059 -0.506 0.000 1.272 231 L HN 0.810 nan 8.230 nan 0.000 0.421 232 A N 2.276 125.097 122.820 0.001 0.000 2.365 232 A HA 0.970 5.290 4.320 0.000 0.000 0.318 232 A C -0.673 176.943 177.584 0.053 0.000 1.091 232 A CA -0.245 51.829 52.037 0.062 0.000 0.763 232 A CB 1.457 20.534 19.000 0.129 0.000 1.248 232 A HN 0.801 nan 8.150 nan 0.000 0.442 233 A N 1.470 124.332 122.820 0.069 0.000 2.299 233 A HA 0.943 5.263 4.320 0.000 0.000 0.332 233 A C -0.315 177.270 177.584 0.002 0.000 1.131 233 A CA -0.484 51.571 52.037 0.029 0.000 0.844 233 A CB 0.602 19.643 19.000 0.068 0.000 1.251 233 A HN 1.740 nan 8.150 nan 0.000 0.486 234 I N -2.530 118.025 120.570 -0.025 0.000 2.828 234 I HA 0.538 4.708 4.170 0.000 0.000 0.295 234 I C -1.512 174.586 176.117 -0.032 0.000 1.459 234 I CA -1.014 60.287 61.300 0.001 0.000 1.015 234 I CB 1.906 39.938 38.000 0.052 0.000 1.345 234 I HN 0.224 nan 8.210 nan 0.000 0.449 235 V N 4.856 124.774 119.914 0.007 0.000 2.311 235 V HA 0.341 4.461 4.120 0.000 0.000 0.275 235 V C 0.267 176.358 176.094 -0.005 0.000 1.022 235 V CA -0.620 61.681 62.300 0.001 0.000 0.830 235 V CB 1.245 33.076 31.823 0.013 0.000 1.012 235 V HN 0.560 nan 8.190 nan 0.000 0.452 236 V N 5.322 125.185 119.914 -0.084 0.000 2.407 236 V HA 0.619 4.739 4.120 0.000 0.000 0.278 236 V C -1.921 174.132 176.094 -0.069 0.000 1.037 236 V CA -2.190 60.016 62.300 -0.156 0.000 0.900 236 V CB 1.121 32.829 31.823 -0.192 0.000 0.983 236 V HN 0.623 nan 8.190 nan 0.000 0.459 237 P HA 0.244 nan 4.420 nan 0.000 0.271 237 P C -2.687 174.597 177.300 -0.028 0.000 1.233 237 P CA -1.509 61.588 63.100 -0.004 0.000 0.789 237 P CB -0.081 31.638 31.700 0.031 0.000 0.951 238 P HA 0.093 nan 4.420 nan 0.000 0.276 238 P C 0.621 177.901 177.300 -0.033 0.000 1.253 238 P CA 0.684 63.765 63.100 -0.032 0.000 0.766 238 P CB 0.104 31.784 31.700 -0.033 0.000 0.845 239 G N 3.137 111.913 108.800 -0.040 0.000 2.273 239 G HA2 -0.081 3.879 3.960 0.000 0.000 0.162 239 G HA3 -0.081 3.879 3.960 0.000 0.000 0.162 239 G C -0.145 174.727 174.900 -0.046 0.000 1.006 239 G CA -0.069 45.007 45.100 -0.039 0.000 0.704 239 G HN 0.625 nan 8.290 nan 0.000 0.487 240 I N -1.375 119.161 120.570 -0.056 0.000 2.569 240 I HA 0.823 4.993 4.170 0.000 0.000 0.290 240 I C -0.740 175.334 176.117 -0.072 0.000 1.088 240 I CA -1.356 59.903 61.300 -0.068 0.000 1.047 240 I CB 2.161 40.107 38.000 -0.089 0.000 1.237 240 I HN -0.029 nan 8.210 nan 0.000 0.421 241 E N 6.383 126.543 120.200 -0.067 0.000 2.197 241 E HA 0.492 4.842 4.350 0.000 0.000 0.281 241 E C -2.438 174.122 176.600 -0.067 0.000 0.995 241 E CA -1.779 54.585 56.400 -0.060 0.000 0.808 241 E CB 1.133 30.801 29.700 -0.052 0.000 1.093 241 E HN 0.431 nan 8.360 nan 0.000 0.394 242 P HA 0.012 nan 4.420 nan 0.000 0.264 242 P C -0.894 176.379 177.300 -0.045 0.000 1.193 242 P CA 0.206 63.266 63.100 -0.067 0.000 0.763 242 P CB 0.345 32.008 31.700 -0.062 0.000 0.810 243 I N 3.444 123.986 120.570 -0.047 0.000 2.441 243 I HA 0.128 4.298 4.170 0.000 0.000 0.295 243 I C 1.553 177.660 176.117 -0.017 0.000 0.994 243 I CA -0.491 60.791 61.300 -0.029 0.000 1.144 243 I CB 1.646 39.625 38.000 -0.036 0.000 1.314 243 I HN 0.398 nan 8.210 nan 0.000 0.445 244 Q N 1.875 121.677 119.800 0.003 0.000 2.368 244 Q HA -0.093 4.247 4.340 0.000 0.000 0.210 244 Q C 0.883 176.883 176.000 -0.001 0.000 0.982 244 Q CA 0.637 56.448 55.803 0.014 0.000 0.884 244 Q CB 0.123 28.882 28.738 0.035 0.000 0.933 244 Q HN 0.608 nan 8.270 nan 0.000 0.460 245 S N 0.249 115.942 115.700 -0.011 0.000 2.560 245 S HA -0.024 4.446 4.470 0.000 0.000 0.284 245 S C 1.449 176.031 174.600 -0.031 0.000 1.327 245 S CA 0.347 58.535 58.200 -0.019 0.000 1.055 245 S CB 1.081 64.268 63.200 -0.021 0.000 0.868 245 S HN 0.467 nan 8.310 nan 0.000 0.506 246 T N 2.313 116.845 114.554 -0.037 0.000 2.897 246 T HA -0.145 4.205 4.350 0.000 0.000 0.271 246 T C 1.921 176.586 174.700 -0.059 0.000 1.084 246 T CA 1.974 64.040 62.100 -0.058 0.000 1.123 246 T CB -0.801 68.027 68.868 -0.068 0.000 0.865 246 T HN 0.772 nan 8.240 nan 0.000 0.496 247 S N 1.190 116.865 115.700 -0.041 0.000 2.440 247 S HA -0.163 4.307 4.470 0.000 0.000 0.240 247 S C 2.064 176.646 174.600 -0.029 0.000 1.014 247 S CA 1.186 59.368 58.200 -0.030 0.000 0.980 247 S CB -0.674 62.513 63.200 -0.022 0.000 0.775 247 S HN 0.400 nan 8.310 nan 0.000 0.499 248 M N 2.102 121.674 119.600 -0.046 0.000 2.082 248 M HA -0.026 4.454 4.480 0.000 0.000 0.258 248 M C 2.188 178.470 176.300 -0.030 0.000 1.071 248 M CA 1.377 56.646 55.300 -0.051 0.000 1.103 248 M CB -1.849 30.714 32.600 -0.062 0.000 1.307 248 M HN 0.372 nan 8.290 nan 0.000 0.409 249 L N -0.190 120.970 121.223 -0.104 0.000 2.456 249 L HA -0.223 4.117 4.340 0.000 0.000 0.225 249 L C 1.370 178.199 176.870 -0.068 0.000 1.142 249 L CA 0.777 55.460 54.840 -0.261 0.000 0.796 249 L CB -0.981 40.863 42.059 -0.358 0.000 0.920 249 L HN 0.470 nan 8.230 nan 0.000 0.446 250 Q N -0.597 119.224 119.800 0.035 0.000 2.380 250 Q HA 0.091 4.431 4.340 0.000 0.000 0.254 250 Q C -0.974 175.154 176.000 0.213 0.000 0.927 250 Q CA 0.073 55.936 55.803 0.100 0.000 0.950 250 Q CB -0.053 28.721 28.738 0.060 0.000 1.206 250 Q HN 0.345 nan 8.270 nan 0.000 0.414 251 Y N -0.269 120.081 120.300 0.083 0.000 2.521 251 Y HA 0.235 4.785 4.550 0.000 0.000 0.328 251 Y C -2.570 173.448 175.900 0.196 0.000 1.151 251 Y CA -2.422 55.731 58.100 0.088 0.000 1.054 251 Y CB 1.703 40.188 38.460 0.041 0.000 1.338 251 Y HN 0.024 nan 8.280 nan 0.000 0.453 252 P HA -0.014 nan 4.420 nan 0.000 0.259 252 P C -1.215 176.179 177.300 0.156 0.000 1.163 252 P CA 1.215 64.285 63.100 -0.051 0.000 0.760 252 P CB 0.126 31.671 31.700 -0.259 0.000 0.762 253 H N 0.856 119.936 119.070 0.016 0.000 2.985 253 H HA 0.583 5.139 4.556 0.000 0.000 0.360 253 H C -0.851 174.453 175.328 -0.039 0.000 1.221 253 H CA -1.190 54.868 56.048 0.017 0.000 1.121 253 H CB 0.841 30.642 29.762 0.066 0.000 1.854 253 H HN 0.102 nan 8.280 nan 0.000 0.551 254 V N 0.968 120.872 119.914 -0.016 0.000 2.975 254 V HA 0.325 4.446 4.120 0.000 0.000 0.318 254 V C -0.089 175.988 176.094 -0.029 0.000 1.077 254 V CA -1.130 61.125 62.300 -0.075 0.000 1.000 254 V CB 1.955 33.747 31.823 -0.051 0.000 1.066 254 V HN 0.485 nan 8.190 nan 0.000 0.452 255 L N 2.558 123.747 121.223 -0.057 0.000 2.342 255 L HA 0.518 4.858 4.340 0.000 0.000 0.276 255 L C -0.820 176.100 176.870 0.083 0.000 0.997 255 L CA 0.175 54.977 54.840 -0.063 0.000 0.838 255 L CB 0.965 42.929 42.059 -0.160 0.000 1.224 255 L HN 0.673 nan 8.230 nan 0.000 0.416 256 F N 3.309 123.215 119.950 -0.074 0.000 2.480 256 F HA 0.435 4.963 4.527 0.000 0.000 0.329 256 F C -0.094 175.683 175.800 -0.037 0.000 1.091 256 F CA -0.602 57.374 58.000 -0.041 0.000 0.972 256 F CB 2.361 41.331 39.000 -0.049 0.000 1.150 256 F HN 0.451 nan 8.300 nan 0.000 0.467 257 D N 2.760 123.372 120.400 0.354 0.000 2.490 257 D HA 0.421 5.062 4.640 0.000 0.000 0.232 257 D C 0.103 176.403 176.300 -0.000 0.000 1.053 257 D CA -0.170 53.891 54.000 0.103 0.000 0.914 257 D CB 2.499 43.387 40.800 0.147 0.000 1.431 257 D HN 0.660 nan 8.370 nan 0.000 0.483 258 A N 2.568 125.431 122.820 0.072 0.000 1.873 258 A HA -0.094 4.226 4.320 0.000 0.000 0.215 258 A C 1.703 179.358 177.584 0.119 0.000 1.186 258 A CA 0.889 52.990 52.037 0.107 0.000 0.616 258 A CB -0.279 18.871 19.000 0.249 0.000 0.823 258 A HN 0.640 nan 8.150 nan 0.000 0.442 259 R N 0.592 121.172 120.500 0.134 0.000 2.395 259 R HA -0.028 4.312 4.340 0.000 0.000 0.202 259 R C -0.309 176.053 176.300 0.103 0.000 1.088 259 R CA 0.313 56.478 56.100 0.110 0.000 1.090 259 R CB -0.289 30.069 30.300 0.096 0.000 0.876 259 R HN 0.658 nan 8.270 nan 0.000 0.477 260 Q N 0.442 120.320 119.800 0.130 0.000 2.296 260 Q HA 0.132 4.472 4.340 0.000 0.000 0.257 260 Q C 0.923 177.003 176.000 0.135 0.000 0.942 260 Q CA -0.374 55.523 55.803 0.156 0.000 0.939 260 Q CB 2.148 31.052 28.738 0.276 0.000 1.198 260 Q HN -0.077 nan 8.270 nan 0.000 0.429 261 V N 2.057 122.028 119.914 0.096 0.000 2.265 261 V HA -0.200 3.920 4.120 0.000 0.000 0.224 261 V C 0.961 177.104 176.094 0.081 0.000 1.023 261 V CA 1.126 63.469 62.300 0.073 0.000 1.011 261 V CB -0.421 31.431 31.823 0.049 0.000 0.651 261 V HN 0.902 nan 8.190 nan 0.000 0.466 262 E N 3.192 123.428 120.200 0.061 0.000 2.765 262 E HA -0.090 4.260 4.350 0.000 0.000 0.256 262 E C -2.172 174.472 176.600 0.073 0.000 0.935 262 E CA -0.982 55.446 56.400 0.047 0.000 0.954 262 E CB 0.298 30.013 29.700 0.025 0.000 0.908 262 E HN 0.350 nan 8.360 nan 0.000 0.500 263 P HA 0.033 nan 4.420 nan 0.000 0.274 263 P C -0.752 176.539 177.300 -0.016 0.000 1.237 263 P CA -0.347 62.812 63.100 0.098 0.000 0.793 263 P CB 0.953 32.666 31.700 0.022 0.000 0.977 264 V N 2.759 122.640 119.914 -0.055 0.000 2.547 264 V HA 0.402 4.522 4.120 0.000 0.000 0.299 264 V C 0.480 176.334 176.094 -0.400 0.000 1.040 264 V CA -0.346 61.711 62.300 -0.406 0.000 0.913 264 V CB 1.183 32.326 31.823 -1.132 0.000 0.992 264 V HN 0.389 nan 8.190 nan 0.000 0.449 265 I N 4.533 124.840 120.570 -0.437 0.000 2.969 265 I HA 0.807 4.977 4.170 0.000 0.000 0.307 265 I C -1.130 174.797 176.117 -0.318 0.000 1.149 265 I CA -0.527 60.508 61.300 -0.442 0.000 1.008 265 I CB 2.205 40.106 38.000 -0.166 0.000 1.232 265 I HN 0.543 nan 8.210 nan 0.000 0.435 266 F N -0.785 119.250 119.950 0.141 0.000 2.708 266 F HA 0.623 5.150 4.527 0.000 0.000 0.309 266 F C -0.348 175.539 175.800 0.144 0.000 1.120 266 F CA -1.432 56.638 58.000 0.116 0.000 0.978 266 F CB 0.009 39.055 39.000 0.078 0.000 1.283 266 F HN 0.491 nan 8.300 nan 0.000 0.439 267 T N 0.024 114.797 114.554 0.364 0.000 2.898 267 T HA 0.649 4.999 4.350 0.000 0.000 0.301 267 T C 0.036 174.863 174.700 0.211 0.000 1.049 267 T CA -0.442 61.804 62.100 0.243 0.000 1.095 267 T CB 0.940 69.901 68.868 0.154 0.000 0.976 267 T HN 0.638 nan 8.240 nan 0.000 0.539 268 I N 3.861 124.536 120.570 0.174 0.000 2.361 268 I HA 0.261 4.431 4.170 0.000 0.000 0.282 268 I C -2.030 174.150 176.117 0.103 0.000 1.075 268 I CA -2.602 58.777 61.300 0.132 0.000 1.205 268 I CB 0.890 38.973 38.000 0.139 0.000 1.406 268 I HN 0.447 nan 8.210 nan 0.000 0.481 269 P HA -0.091 nan 4.420 nan 0.000 0.265 269 P C -0.656 176.686 177.300 0.071 0.000 1.187 269 P CA 0.149 63.291 63.100 0.070 0.000 0.766 269 P CB 1.049 32.778 31.700 0.049 0.000 0.820 270 D N 3.782 124.226 120.400 0.073 0.000 2.467 270 D HA 0.240 4.880 4.640 0.000 0.000 0.220 270 D C -0.396 175.926 176.300 0.038 0.000 1.103 270 D CA -0.320 53.721 54.000 0.070 0.000 0.886 270 D CB -0.379 40.471 40.800 0.084 0.000 1.025 270 D HN 0.209 nan 8.370 nan 0.000 0.514 271 L N 4.778 126.022 121.223 0.034 0.000 2.275 271 L HA 0.587 4.927 4.340 0.000 0.000 0.288 271 L C 0.622 177.505 176.870 0.022 0.000 1.046 271 L CA -0.739 54.113 54.840 0.019 0.000 0.805 271 L CB 0.966 43.036 42.059 0.019 0.000 1.193 271 L HN 0.376 nan 8.230 nan 0.000 0.426 272 R N 0.669 121.172 120.500 0.004 0.000 2.710 272 R HA 0.522 4.862 4.340 0.000 0.000 0.270 272 R C -0.450 175.830 176.300 -0.034 0.000 1.021 272 R CA -0.787 55.321 56.100 0.012 0.000 0.889 272 R CB 1.397 31.721 30.300 0.040 0.000 1.243 272 R HN 0.370 nan 8.270 nan 0.000 0.464 273 S N 0.342 116.020 115.700 -0.037 0.000 2.341 273 S HA -0.082 4.388 4.470 0.000 0.000 0.216 273 S C 1.047 175.588 174.600 -0.097 0.000 1.034 273 S CA 1.153 59.319 58.200 -0.056 0.000 0.964 273 S CB -0.402 62.768 63.200 -0.049 0.000 0.882 273 S HN 0.855 nan 8.310 nan 0.000 0.469 274 T N 0.926 115.396 114.554 -0.140 0.000 2.905 274 T HA 0.169 4.519 4.350 0.000 0.000 0.400 274 T C 0.912 175.449 174.700 -0.272 0.000 1.098 274 T CA 0.184 62.137 62.100 -0.245 0.000 1.095 274 T CB -0.065 68.580 68.868 -0.372 0.000 1.281 274 T HN 0.139 nan 8.240 nan 0.000 0.515 275 L N -0.036 120.960 121.223 -0.379 0.000 2.766 275 L HA 0.405 4.745 4.340 0.000 0.000 0.242 275 L C -0.683 176.070 176.870 -0.194 0.000 1.136 275 L CA -0.369 54.348 54.840 -0.206 0.000 0.933 275 L CB -0.114 41.940 42.059 -0.009 0.000 1.241 275 L HN 0.843 nan 8.230 nan 0.000 0.522 276 Y N -3.750 116.251 120.300 -0.499 0.000 2.791 276 Y HA 0.312 4.862 4.550 0.000 0.000 0.379 276 Y C -1.258 174.233 175.900 -0.682 0.000 1.168 276 Y CA -1.770 55.880 58.100 -0.751 0.000 1.356 276 Y CB 0.090 38.175 38.460 -0.624 0.000 1.444 276 Y HN -0.076 nan 8.280 nan 0.000 0.515 277 H N 2.520 121.346 119.070 -0.407 0.000 2.651 277 H HA 0.786 5.342 4.556 0.000 0.000 0.353 277 H C -0.768 174.635 175.328 0.125 0.000 1.178 277 H CA -1.081 54.809 56.048 -0.264 0.000 1.224 277 H CB 2.277 31.840 29.762 -0.332 0.000 1.702 277 H HN 0.663 nan 8.280 nan 0.000 0.550 278 L N 0.944 122.389 121.223 0.370 0.000 2.360 278 L HA 0.186 4.526 4.340 0.000 0.000 0.271 278 L C 1.253 178.405 176.870 0.470 0.000 1.057 278 L CA -1.079 54.008 54.840 0.411 0.000 0.803 278 L CB 0.850 43.080 42.059 0.284 0.000 1.207 278 L HN 0.404 nan 8.230 nan 0.000 0.445 279 M N 0.775 120.617 119.600 0.403 0.000 2.419 279 M HA -0.181 4.299 4.480 0.000 0.000 0.260 279 M C 2.094 178.531 176.300 0.229 0.000 1.073 279 M CA 1.420 56.890 55.300 0.284 0.000 1.056 279 M CB -0.836 31.862 32.600 0.165 0.000 1.394 279 M HN 0.824 nan 8.290 nan 0.000 0.444 280 S N -1.539 114.298 115.700 0.228 0.000 2.453 280 S HA -0.029 4.441 4.470 0.000 0.000 0.231 280 S C 0.624 175.323 174.600 0.164 0.000 1.005 280 S CA 0.235 58.546 58.200 0.185 0.000 0.949 280 S CB -0.549 62.765 63.200 0.190 0.000 0.774 280 S HN 0.409 nan 8.310 nan 0.000 0.510 281 D N 2.644 123.160 120.400 0.192 0.000 2.401 281 D HA 0.131 4.771 4.640 0.000 0.000 0.254 281 D C 1.036 177.401 176.300 0.108 0.000 1.192 281 D CA 0.729 54.801 54.000 0.120 0.000 0.885 281 D CB 1.432 42.281 40.800 0.082 0.000 1.147 281 D HN 0.537 nan 8.370 nan 0.000 0.478 282 T N -1.024 113.563 114.554 0.055 0.000 2.978 282 T HA -0.022 4.328 4.350 0.000 0.000 0.248 282 T C 0.537 175.242 174.700 0.009 0.000 1.018 282 T CA -0.358 61.770 62.100 0.047 0.000 1.026 282 T CB 0.359 69.258 68.868 0.052 0.000 1.032 282 T HN 0.169 nan 8.240 nan 0.000 0.485 283 D N 2.752 123.139 120.400 -0.021 0.000 2.339 283 D HA 0.474 5.114 4.640 0.000 0.000 0.241 283 D C -0.012 176.239 176.300 -0.082 0.000 1.183 283 D CA 0.145 54.120 54.000 -0.042 0.000 0.859 283 D CB 0.681 41.457 40.800 -0.039 0.000 1.067 283 D HN 0.551 nan 8.370 nan 0.000 0.484 284 T N -0.626 113.890 114.554 -0.063 0.000 2.731 284 T HA 0.338 4.688 4.350 0.000 0.000 0.300 284 T C -0.227 174.457 174.700 -0.026 0.000 1.283 284 T CA -1.016 61.039 62.100 -0.076 0.000 1.005 284 T CB 0.725 69.528 68.868 -0.107 0.000 1.420 284 T HN 0.070 nan 8.240 nan 0.000 0.503 285 T N 3.039 117.589 114.554 -0.005 0.000 2.761 285 T HA 0.366 4.716 4.350 0.000 0.000 0.262 285 T C 0.572 175.283 174.700 0.017 0.000 0.968 285 T CA -0.083 62.023 62.100 0.010 0.000 1.235 285 T CB -1.112 67.775 68.868 0.031 0.000 0.925 285 T HN 0.802 nan 8.240 nan 0.000 0.545 286 S N 3.276 118.971 115.700 -0.009 0.000 2.654 286 S HA 0.742 5.212 4.470 0.000 0.000 0.283 286 S C -0.445 174.140 174.600 -0.026 0.000 1.180 286 S CA -1.213 56.977 58.200 -0.017 0.000 1.021 286 S CB 1.556 64.731 63.200 -0.041 0.000 1.018 286 S HN 0.478 nan 8.310 nan 0.000 0.532 287 L N 1.738 122.946 121.223 -0.024 0.000 2.334 287 L HA 0.894 5.234 4.340 0.000 0.000 0.273 287 L C -1.253 175.582 176.870 -0.058 0.000 1.013 287 L CA -0.473 54.363 54.840 -0.007 0.000 0.816 287 L CB 1.707 43.823 42.059 0.096 0.000 1.278 287 L HN 0.669 nan 8.230 nan 0.000 0.431 288 V N 4.097 123.997 119.914 -0.024 0.000 3.120 288 V HA 0.529 4.649 4.120 0.000 0.000 0.303 288 V C -1.126 174.984 176.094 0.027 0.000 1.238 288 V CA -0.525 61.755 62.300 -0.034 0.000 1.008 288 V CB 2.010 33.794 31.823 -0.064 0.000 1.064 288 V HN 0.612 nan 8.190 nan 0.000 0.434 289 I N 3.192 123.797 120.570 0.059 0.000 2.465 289 I HA 0.665 4.835 4.170 0.000 0.000 0.291 289 I C -0.271 175.841 176.117 -0.008 0.000 1.014 289 I CA -0.279 61.034 61.300 0.020 0.000 1.093 289 I CB 1.756 39.751 38.000 -0.008 0.000 1.267 289 I HN 0.621 nan 8.210 nan 0.000 0.431 290 M N 6.325 125.901 119.600 -0.040 0.000 2.572 290 M HA 0.605 5.085 4.480 0.000 0.000 0.299 290 M C -0.991 175.252 176.300 -0.095 0.000 1.205 290 M CA -0.948 54.323 55.300 -0.048 0.000 0.876 290 M CB 2.281 34.873 32.600 -0.013 0.000 1.728 290 M HN 0.546 nan 8.290 nan 0.000 0.458 291 I N 1.783 122.282 120.570 -0.117 0.000 2.483 291 I HA 0.062 4.232 4.170 0.000 0.000 0.291 291 I C -0.206 175.920 176.117 0.016 0.000 1.112 291 I CA -0.296 60.919 61.300 -0.141 0.000 1.350 291 I CB -0.176 37.781 38.000 -0.071 0.000 1.419 291 I HN 0.782 nan 8.210 nan 0.000 0.523 292 Y N 6.442 126.690 120.300 -0.086 0.000 2.144 292 Y HA 0.038 4.588 4.550 0.000 0.000 0.272 292 Y C 1.169 177.087 175.900 0.031 0.000 1.092 292 Y CA 1.416 59.505 58.100 -0.018 0.000 1.080 292 Y CB 0.279 38.743 38.460 0.007 0.000 1.003 292 Y HN 0.570 nan 8.280 nan 0.000 0.477 293 N N 2.128 121.019 118.700 0.319 0.000 2.437 293 N HA 0.038 4.778 4.740 0.000 0.000 0.259 293 N C -1.461 174.203 175.510 0.256 0.000 0.983 293 N CA -0.227 52.958 53.050 0.226 0.000 0.937 293 N CB 0.569 39.219 38.487 0.272 0.000 1.122 293 N HN 0.339 nan 8.380 nan 0.000 0.499 294 D N 1.359 121.871 120.400 0.187 0.000 2.667 294 D HA -0.134 4.506 4.640 0.000 0.000 0.226 294 D C 0.559 176.967 176.300 0.180 0.000 1.137 294 D CA 0.367 54.493 54.000 0.211 0.000 0.855 294 D CB 1.001 41.853 40.800 0.087 0.000 1.194 294 D HN 0.288 nan 8.370 nan 0.000 0.492 295 L N 3.451 124.724 121.223 0.083 0.000 2.490 295 L HA 0.157 4.497 4.340 0.000 0.000 0.274 295 L C -0.333 176.320 176.870 -0.363 0.000 1.201 295 L CA 0.406 54.951 54.840 -0.493 0.000 0.869 295 L CB 0.166 41.348 42.059 -1.462 0.000 1.123 295 L HN 0.235 nan 8.230 nan 0.000 0.484 296 I N 5.326 125.692 120.570 -0.339 0.000 2.418 296 I HA 0.330 4.500 4.170 0.000 0.000 0.287 296 I C -0.419 175.561 176.117 -0.228 0.000 1.008 296 I CA -0.575 60.596 61.300 -0.215 0.000 1.104 296 I CB 1.577 39.530 38.000 -0.079 0.000 1.264 296 I HN 0.584 nan 8.210 nan 0.000 0.438 297 N N 8.418 127.011 118.700 -0.178 0.000 2.558 297 N HA 0.348 5.088 4.740 0.000 0.000 0.242 297 N C -2.174 173.316 175.510 -0.034 0.000 0.979 297 N CA -1.827 51.217 53.050 -0.009 0.000 0.931 297 N CB 1.899 40.377 38.487 -0.015 0.000 1.122 297 N HN 0.225 nan 8.380 nan 0.000 0.508 298 P HA -0.183 nan 4.420 nan 0.000 0.207 298 P C -0.101 177.098 177.300 -0.170 0.000 0.954 298 P CA 1.755 64.691 63.100 -0.274 0.000 0.990 298 P CB -0.201 31.115 31.700 -0.640 0.000 0.721 299 Y N -1.464 118.864 120.300 0.046 0.000 2.889 299 Y HA 0.568 5.118 4.550 0.000 0.000 0.367 299 Y C 1.092 177.011 175.900 0.032 0.000 1.197 299 Y CA -0.834 57.283 58.100 0.029 0.000 1.993 299 Y CB -1.273 37.197 38.460 0.016 0.000 2.112 299 Y HN -0.013 nan 8.280 nan 0.000 0.413 300 A N 1.163 124.068 122.820 0.142 0.000 3.259 300 A HA 0.319 4.640 4.320 0.000 0.000 0.203 300 A C 0.480 178.106 177.584 0.070 0.000 2.011 300 A CA -0.217 51.880 52.037 0.101 0.000 1.833 300 A CB -0.363 18.665 19.000 0.047 0.000 1.287 300 A HN 0.543 nan 8.150 nan 0.000 0.371 301 N N 0.188 118.909 118.700 0.035 0.000 2.573 301 N HA -0.137 4.603 4.740 0.000 0.000 0.280 301 N C -0.652 174.873 175.510 0.026 0.000 1.187 301 N CA 1.248 54.313 53.050 0.024 0.000 0.717 301 N CB -0.601 37.903 38.487 0.028 0.000 0.899 301 N HN 0.896 nan 8.380 nan 0.000 0.546 302 D N -2.463 117.948 120.400 0.019 0.000 4.961 302 D HA 0.113 4.753 4.640 0.000 0.000 0.369 302 D C -0.940 175.367 176.300 0.012 0.000 1.778 302 D CA 0.317 54.327 54.000 0.017 0.000 1.016 302 D CB -0.701 40.112 40.800 0.022 0.000 1.513 302 D HN 0.284 nan 8.370 nan 0.000 0.667 303 S N 0.596 116.304 115.700 0.013 0.000 2.567 303 S HA 0.500 4.970 4.470 0.000 0.000 0.262 303 S C 0.140 174.748 174.600 0.014 0.000 1.237 303 S CA 0.032 58.239 58.200 0.011 0.000 1.093 303 S CB -1.006 62.200 63.200 0.010 0.000 1.095 303 S HN 0.742 nan 8.310 nan 0.000 0.489 304 N N 1.215 119.923 118.700 0.013 0.000 4.331 304 N HA -0.207 4.533 4.740 0.000 0.000 0.334 304 N C 0.113 175.639 175.510 0.026 0.000 2.127 304 N CA 0.638 53.697 53.050 0.016 0.000 2.902 304 N CB -0.887 37.611 38.487 0.017 0.000 0.345 304 N HN 0.938 nan 8.380 nan 0.000 0.720 305 S N 0.288 116.005 115.700 0.027 0.000 2.221 305 S HA 0.161 4.631 4.470 0.000 0.000 0.264 305 S C 0.215 174.843 174.600 0.047 0.000 0.971 305 S CA 1.416 59.646 58.200 0.050 0.000 1.397 305 S CB -0.253 62.970 63.200 0.039 0.000 1.050 305 S HN 2.355 nan 8.310 nan 0.000 0.507 306 S N 0.186 115.892 115.700 0.009 0.000 3.795 306 S HA 0.246 4.716 4.470 0.000 0.000 0.639 306 S C 0.679 175.235 174.600 -0.073 0.000 2.014 306 S CA 0.417 58.614 58.200 -0.005 0.000 2.183 306 S CB -1.653 61.567 63.200 0.034 0.000 0.328 306 S HN 1.956 nan 8.310 nan 0.000 1.794 307 G N 0.198 108.945 108.800 -0.088 0.000 3.414 307 G HA2 0.740 4.700 3.960 0.000 0.000 0.196 307 G HA3 0.740 4.700 3.960 0.000 0.000 0.196 307 G C 0.281 175.089 174.900 -0.154 0.000 1.486 307 G CA 0.386 45.343 45.100 -0.239 0.000 0.811 307 G HN 2.439 nan 8.290 nan 0.000 0.704 308 C N -1.626 117.612 119.300 -0.105 0.000 3.241 308 C HA 0.727 5.187 4.460 0.000 0.000 0.348 308 C C -0.807 174.235 174.990 0.086 0.000 1.180 308 C CA -1.147 57.896 59.018 0.043 0.000 1.273 308 C CB 0.400 28.177 27.740 0.061 0.000 1.620 308 C HN 0.747 nan 8.230 nan 0.000 0.510 309 I N 1.888 122.515 120.570 0.095 0.000 2.664 309 I HA 0.832 5.002 4.170 0.000 0.000 0.308 309 I C -0.380 175.793 176.117 0.092 0.000 0.984 309 I CA -0.370 60.982 61.300 0.087 0.000 1.213 309 I CB 1.638 39.670 38.000 0.053 0.000 1.379 309 I HN 1.016 nan 8.210 nan 0.000 0.501 310 V N 6.571 126.531 119.914 0.078 0.000 2.697 310 V HA 0.457 4.577 4.120 0.000 0.000 0.296 310 V C -0.196 175.931 176.094 0.054 0.000 1.140 310 V CA 0.208 62.548 62.300 0.066 0.000 0.921 310 V CB 1.643 33.505 31.823 0.065 0.000 1.036 310 V HN 1.041 nan 8.190 nan 0.000 0.438 311 T N 3.864 118.450 114.554 0.053 0.000 2.771 311 T HA 0.779 5.129 4.350 0.000 0.000 0.290 311 T C -0.317 174.401 174.700 0.030 0.000 1.005 311 T CA -0.589 61.560 62.100 0.083 0.000 0.944 311 T CB 1.691 70.582 68.868 0.038 0.000 1.147 311 T HN 0.981 nan 8.240 nan 0.000 0.534 312 V N 1.437 121.375 119.914 0.040 0.000 2.610 312 V HA 0.414 4.534 4.120 0.000 0.000 0.298 312 V C -0.765 175.303 176.094 -0.043 0.000 1.067 312 V CA -0.793 61.348 62.300 -0.265 0.000 0.894 312 V CB 1.622 33.157 31.823 -0.480 0.000 1.015 312 V HN 1.023 nan 8.190 nan 0.000 0.432 313 E N 1.919 122.027 120.200 -0.153 0.000 2.299 313 E HA 0.845 5.196 4.350 0.000 0.000 0.260 313 E C -0.541 176.095 176.600 0.061 0.000 0.944 313 E CA -0.904 55.532 56.400 0.059 0.000 0.815 313 E CB 2.597 32.330 29.700 0.054 0.000 1.252 313 E HN 0.702 nan 8.360 nan 0.000 0.418 314 T N -1.115 113.588 114.554 0.249 0.000 2.900 314 T HA 0.513 4.863 4.350 0.000 0.000 0.303 314 T C -1.377 173.410 174.700 0.146 0.000 1.142 314 T CA -0.998 61.254 62.100 0.254 0.000 1.007 314 T CB 1.680 70.600 68.868 0.086 0.000 1.156 314 T HN 0.455 nan 8.240 nan 0.000 0.490 315 K N 2.996 123.342 120.400 -0.090 0.000 2.482 315 K HA 0.504 4.824 4.320 0.000 0.000 0.251 315 K C -2.892 173.517 176.600 -0.319 0.000 0.936 315 K CA -2.372 53.583 56.287 -0.553 0.000 0.791 315 K CB 2.301 33.930 32.500 -1.452 0.000 1.213 315 K HN 0.445 nan 8.250 nan 0.000 0.428 316 P HA 0.023 nan 4.420 nan 0.000 0.264 316 P C 0.247 177.500 177.300 -0.079 0.000 1.229 316 P CA 0.174 63.196 63.100 -0.130 0.000 0.780 316 P CB 0.459 32.157 31.700 -0.003 0.000 0.808 317 G N 6.317 115.103 108.800 -0.024 0.000 2.568 317 G HA2 -0.002 3.958 3.960 0.000 0.000 0.231 317 G HA3 -0.002 3.958 3.960 0.000 0.000 0.231 317 G C -0.880 174.067 174.900 0.080 0.000 1.261 317 G CA -0.885 44.235 45.100 0.033 0.000 0.855 317 G HN 0.362 nan 8.290 nan 0.000 0.576 318 P HA -0.142 nan 4.420 nan 0.000 0.216 318 P C 1.226 178.561 177.300 0.059 0.000 1.153 318 P CA 1.674 64.785 63.100 0.019 0.000 0.848 318 P CB 0.087 31.786 31.700 -0.001 0.000 0.787 319 D N -0.857 119.596 120.400 0.087 0.000 2.309 319 D HA -0.162 4.478 4.640 0.000 0.000 0.212 319 D C 0.836 177.226 176.300 0.150 0.000 0.968 319 D CA 0.069 54.126 54.000 0.095 0.000 0.882 319 D CB -0.957 39.900 40.800 0.095 0.000 0.918 319 D HN 0.110 nan 8.370 nan 0.000 0.503 320 F N 1.755 121.729 119.950 0.039 0.000 2.485 320 F HA 0.365 4.892 4.527 0.000 0.000 0.327 320 F C 0.411 176.261 175.800 0.084 0.000 1.203 320 F CA -0.185 57.857 58.000 0.071 0.000 1.295 320 F CB 0.440 39.484 39.000 0.074 0.000 1.191 320 F HN -0.125 nan 8.300 nan 0.000 0.588 321 K N 3.753 123.432 120.400 -1.202 0.000 2.707 321 K HA 0.198 4.518 4.320 0.000 0.000 0.275 321 K C -1.842 174.403 176.600 -0.593 0.000 1.060 321 K CA -0.631 55.255 56.287 -0.669 0.000 0.969 321 K CB 0.401 32.757 32.500 -0.240 0.000 1.379 321 K HN 0.443 nan 8.250 nan 0.000 0.409 322 F N 2.092 121.740 119.950 -0.503 0.000 2.375 322 F HA 0.325 4.852 4.527 0.000 0.000 0.313 322 F C 1.432 177.245 175.800 0.021 0.000 1.176 322 F CA 0.505 58.376 58.000 -0.215 0.000 1.142 322 F CB 0.726 39.300 39.000 -0.711 0.000 1.275 322 F HN 0.655 nan 8.300 nan 0.000 0.544 323 H N -0.777 118.476 119.070 0.305 0.000 4.025 323 H HA 0.389 4.945 4.556 0.000 0.000 0.129 323 H C -0.426 175.082 175.328 0.300 0.000 1.189 323 H CA -0.085 56.095 56.048 0.220 0.000 1.007 323 H CB -0.478 29.247 29.762 -0.062 0.000 1.335 323 H HN 0.135 nan 8.280 nan 0.000 0.302 324 L N 2.583 124.008 121.223 0.336 0.000 2.416 324 L HA 0.136 4.476 4.340 0.000 0.000 0.272 324 L C -0.189 176.740 176.870 0.098 0.000 1.161 324 L CA -0.175 54.759 54.840 0.157 0.000 0.845 324 L CB 0.690 42.805 42.059 0.094 0.000 1.119 324 L HN 0.199 nan 8.230 nan 0.000 0.464 325 L N 4.918 126.074 121.223 -0.113 0.000 2.281 325 L HA 0.221 4.562 4.340 0.000 0.000 0.285 325 L C 0.397 177.191 176.870 -0.127 0.000 1.074 325 L CA -0.192 54.463 54.840 -0.308 0.000 0.817 325 L CB 0.682 42.521 42.059 -0.366 0.000 1.168 325 L HN 0.576 nan 8.230 nan 0.000 0.434 326 K N 7.453 127.802 120.400 -0.085 0.000 2.276 326 K HA 0.339 4.659 4.320 0.000 0.000 0.283 326 K C -2.337 174.238 176.600 -0.042 0.000 1.044 326 K CA -1.551 54.725 56.287 -0.018 0.000 0.944 326 K CB 1.000 33.522 32.500 0.036 0.000 1.012 326 K HN 0.352 nan 8.250 nan 0.000 0.472 327 P HA 0.183 nan 4.420 nan 0.000 0.281 327 P C -2.608 174.678 177.300 -0.023 0.000 1.286 327 P CA -1.391 61.691 63.100 -0.030 0.000 0.772 327 P CB 0.249 31.936 31.700 -0.021 0.000 0.862 328 P HA -0.162 nan 4.420 nan 0.000 0.261 328 P C 1.184 178.474 177.300 -0.017 0.000 1.133 328 P CA 1.852 64.939 63.100 -0.021 0.000 0.756 328 P CB -0.397 31.290 31.700 -0.021 0.000 0.726 329 G N 2.037 110.827 108.800 -0.016 0.000 2.283 329 G HA2 -0.283 3.677 3.960 0.000 0.000 0.280 329 G HA3 -0.283 3.677 3.960 0.000 0.000 0.280 329 G C 0.493 175.381 174.900 -0.019 0.000 1.029 329 G CA 0.304 45.392 45.100 -0.019 0.000 0.840 329 G HN 0.740 nan 8.290 nan 0.000 0.505 330 S N -0.919 114.772 115.700 -0.014 0.000 2.614 330 S HA 0.727 5.197 4.470 0.000 0.000 0.265 330 S C 0.639 175.230 174.600 -0.016 0.000 1.303 330 S CA -0.408 57.785 58.200 -0.012 0.000 1.000 330 S CB 0.491 63.689 63.200 -0.003 0.000 0.935 330 S HN 0.301 nan 8.310 nan 0.000 0.551 331 M N 3.457 123.046 119.600 -0.018 0.000 2.167 331 M HA 0.367 4.847 4.480 0.000 0.000 0.333 331 M C -1.004 175.286 176.300 -0.018 0.000 1.030 331 M CA -0.506 54.778 55.300 -0.026 0.000 0.963 331 M CB 1.161 33.741 32.600 -0.034 0.000 1.589 331 M HN 0.619 nan 8.290 nan 0.000 0.431 332 L N 3.256 124.474 121.223 -0.009 0.000 2.500 332 L HA 0.007 4.347 4.340 0.000 0.000 0.272 332 L C 1.677 178.533 176.870 -0.023 0.000 1.149 332 L CA 0.287 55.134 54.840 0.011 0.000 0.897 332 L CB 0.930 43.015 42.059 0.043 0.000 1.178 332 L HN 0.879 nan 8.230 nan 0.000 0.473 333 T N 3.150 117.659 114.554 -0.076 0.000 2.624 333 T HA -0.269 4.081 4.350 0.000 0.000 0.266 333 T C 0.979 175.528 174.700 -0.253 0.000 1.050 333 T CA 1.515 63.486 62.100 -0.215 0.000 1.163 333 T CB -0.200 68.443 68.868 -0.374 0.000 0.861 333 T HN 0.567 nan 8.240 nan 0.000 0.443 334 H N 1.126 120.231 119.070 0.058 0.000 2.638 334 H HA 0.497 5.053 4.556 0.000 0.000 0.242 334 H C 1.144 176.519 175.328 0.079 0.000 1.610 334 H CA 0.195 56.284 56.048 0.067 0.000 1.275 334 H CB -0.297 29.507 29.762 0.070 0.000 1.583 334 H HN 0.720 nan 8.280 nan 0.000 0.556 335 G N 1.208 110.094 108.800 0.144 0.000 2.692 335 G HA2 -0.256 3.704 3.960 0.000 0.000 0.248 335 G HA3 -0.256 3.704 3.960 0.000 0.000 0.248 335 G C 0.137 175.078 174.900 0.068 0.000 1.340 335 G CA 0.159 45.323 45.100 0.106 0.000 0.896 335 G HN 0.600 nan 8.290 nan 0.000 0.570 336 S N -2.815 112.916 115.700 0.052 0.000 2.694 336 S HA 0.669 5.139 4.470 0.000 0.000 0.286 336 S C 0.394 175.109 174.600 0.191 0.000 1.080 336 S CA 0.263 58.498 58.200 0.059 0.000 0.953 336 S CB 1.356 64.499 63.200 -0.095 0.000 1.313 336 S HN 1.451 nan 8.310 nan 0.000 0.555 337 V N 3.796 123.825 119.914 0.192 0.000 2.219 337 V HA 0.331 4.451 4.120 0.000 0.000 0.267 337 V C -2.294 173.927 176.094 0.212 0.000 1.266 337 V CA -1.580 60.822 62.300 0.170 0.000 1.270 337 V CB -0.267 31.596 31.823 0.068 0.000 1.356 337 V HN 0.666 nan 8.190 nan 0.000 0.490 338 P HA -0.117 nan 4.420 nan 0.000 0.220 338 P C -0.092 177.275 177.300 0.111 0.000 1.000 338 P CA 0.712 63.902 63.100 0.150 0.000 1.063 338 P CB -0.089 31.728 31.700 0.194 0.000 1.023 339 C N 4.160 123.480 119.300 0.033 0.000 3.055 339 C HA 0.132 4.592 4.460 0.000 0.000 0.368 339 C C 0.324 175.153 174.990 -0.269 0.000 0.905 339 C CA -0.150 58.757 59.018 -0.184 0.000 1.211 339 C CB -0.039 27.455 27.740 -0.410 0.000 1.559 339 C HN 0.748 nan 8.230 nan 0.000 0.598 340 D N 0.441 120.898 120.400 0.095 0.000 2.284 340 D HA -0.090 4.550 4.640 0.000 0.000 0.708 340 D C 1.044 177.514 176.300 0.285 0.000 0.639 340 D CA -0.073 54.030 54.000 0.172 0.000 1.234 340 D CB -0.884 39.970 40.800 0.089 0.000 1.368 340 D HN 0.457 nan 8.370 nan 0.000 0.350 341 L N 0.928 122.303 121.223 0.253 0.000 1.952 341 L HA -0.080 4.260 4.340 0.000 0.000 0.231 341 L C 1.115 178.023 176.870 0.063 0.000 1.088 341 L CA 1.106 55.950 54.840 0.007 0.000 0.802 341 L CB -0.902 40.990 42.059 -0.278 0.000 0.903 341 L HN 0.028 nan 8.230 nan 0.000 0.439 342 I N 1.554 122.151 120.570 0.045 0.000 2.578 342 I HA 0.086 4.256 4.170 0.000 0.000 0.286 342 I C -1.955 174.356 176.117 0.323 0.000 1.126 342 I CA -1.979 59.321 61.300 0.000 0.000 1.380 342 I CB -0.900 37.064 38.000 -0.059 0.000 1.408 342 I HN -0.061 nan 8.210 nan 0.000 0.532 343 P HA 0.050 nan 4.420 nan 0.000 0.269 343 P C 0.694 178.305 177.300 0.519 0.000 1.217 343 P CA -0.043 63.318 63.100 0.435 0.000 0.783 343 P CB 0.696 32.644 31.700 0.413 0.000 0.898 344 K N -0.124 120.442 120.400 0.277 0.000 2.103 344 K HA 0.009 4.329 4.320 0.000 0.000 0.204 344 K C 1.004 177.584 176.600 -0.034 0.000 1.052 344 K CA 0.917 57.277 56.287 0.123 0.000 0.945 344 K CB -0.165 32.369 32.500 0.057 0.000 0.722 344 K HN 0.332 nan 8.250 nan 0.000 0.443 345 S N 0.960 116.606 115.700 -0.090 0.000 2.499 345 S HA 0.084 4.554 4.470 0.000 0.000 0.279 345 S C 1.123 175.303 174.600 -0.701 0.000 1.219 345 S CA -0.662 57.365 58.200 -0.289 0.000 1.062 345 S CB 1.255 64.351 63.200 -0.173 0.000 0.978 345 S HN 0.292 nan 8.310 nan 0.000 0.489 346 S N 4.009 119.140 115.700 -0.948 0.000 2.399 346 S HA -0.147 4.323 4.470 0.000 0.000 0.231 346 S C 2.100 176.207 174.600 -0.822 0.000 1.022 346 S CA 1.298 58.610 58.200 -1.480 0.000 0.983 346 S CB -0.995 61.499 63.200 -1.176 0.000 0.803 346 S HN 0.981 nan 8.310 nan 0.000 0.480 347 S N 2.060 117.501 115.700 -0.430 0.000 2.383 347 S HA 0.034 4.504 4.470 0.000 0.000 0.229 347 S C 1.319 175.861 174.600 -0.096 0.000 1.030 347 S CA 0.711 58.812 58.200 -0.165 0.000 1.002 347 S CB -0.829 62.306 63.200 -0.109 0.000 0.829 347 S HN 0.525 nan 8.310 nan 0.000 0.467 348 L N 1.232 122.376 121.223 -0.132 0.000 2.939 348 L HA 0.233 4.573 4.340 0.000 0.000 0.239 348 L C -0.893 176.115 176.870 0.229 0.000 1.325 348 L CA -0.415 54.413 54.840 -0.020 0.000 1.170 348 L CB -0.246 41.765 42.059 -0.079 0.000 1.538 348 L HN 0.416 nan 8.230 nan 0.000 0.452 349 W N 1.453 122.701 121.300 -0.086 0.000 2.363 349 W HA 0.441 5.101 4.660 0.000 0.000 0.314 349 W C -0.179 176.312 176.519 -0.047 0.000 0.994 349 W CA -1.370 55.925 57.345 -0.083 0.000 1.449 349 W CB 0.319 29.724 29.460 -0.093 0.000 1.248 349 W HN -0.068 nan 8.180 nan 0.000 0.409 350 I N 1.964 122.623 120.570 0.149 0.000 2.664 350 I HA 0.691 4.861 4.170 0.000 0.000 0.308 350 I C 1.203 177.372 176.117 0.086 0.000 0.984 350 I CA -0.987 60.389 61.300 0.126 0.000 1.213 350 I CB 0.956 39.060 38.000 0.174 0.000 1.379 350 I HN 0.317 nan 8.210 nan 0.000 0.501 351 G N 1.333 110.205 108.800 0.119 0.000 2.451 351 G HA2 0.107 4.067 3.960 0.000 0.000 0.303 351 G HA3 0.107 4.067 3.960 0.000 0.000 0.303 351 G C 0.579 175.616 174.900 0.230 0.000 1.166 351 G CA -0.616 44.568 45.100 0.141 0.000 0.884 351 G HN 0.834 nan 8.290 nan 0.000 0.514 352 N N 0.024 118.831 118.700 0.178 0.000 2.461 352 N HA -0.031 4.709 4.740 0.000 0.000 0.188 352 N C 1.488 177.154 175.510 0.259 0.000 1.134 352 N CA 0.107 53.242 53.050 0.142 0.000 0.878 352 N CB 0.329 38.827 38.487 0.018 0.000 0.972 352 N HN 0.406 nan 8.380 nan 0.000 0.456 353 R N -0.985 119.742 120.500 0.378 0.000 2.279 353 R HA 0.348 4.688 4.340 0.000 0.000 0.195 353 R C -1.038 175.652 176.300 0.649 0.000 0.905 353 R CA 0.182 56.553 56.100 0.452 0.000 1.044 353 R CB 0.246 30.720 30.300 0.289 0.000 1.056 353 R HN 0.099 nan 8.270 nan 0.000 0.535 354 F N 0.341 120.407 119.950 0.193 0.000 2.581 354 F HA 0.229 4.756 4.527 0.000 0.000 0.311 354 F C -0.329 175.190 175.800 -0.468 0.000 1.113 354 F CA -1.983 55.802 58.000 -0.357 0.000 0.935 354 F CB 1.214 39.922 39.000 -0.485 0.000 1.232 354 F HN 0.114 nan 8.300 nan 0.000 0.445 355 W N 2.081 122.805 121.300 -0.960 0.000 2.908 355 W HA 0.083 4.743 4.660 0.000 0.000 0.250 355 W C 0.042 176.406 176.519 -0.258 0.000 1.284 355 W CA 0.299 57.334 57.345 -0.515 0.000 1.352 355 W CB -1.263 27.801 29.460 -0.660 0.000 1.133 355 W HN 0.389 nan 8.180 nan 0.000 0.684 356 S N 1.593 116.892 115.700 -0.668 0.000 2.654 356 S HA 0.229 4.699 4.470 0.000 0.000 0.283 356 S C -0.123 174.437 174.600 -0.067 0.000 1.180 356 S CA -0.609 57.373 58.200 -0.364 0.000 1.021 356 S CB 0.919 63.923 63.200 -0.327 0.000 1.018 356 S HN 0.197 nan 8.310 nan 0.000 0.532 357 D N 2.308 122.699 120.400 -0.014 0.000 2.382 357 D HA 0.122 4.762 4.640 0.000 0.000 0.240 357 D C 1.797 178.139 176.300 0.069 0.000 1.146 357 D CA -0.123 53.914 54.000 0.061 0.000 0.897 357 D CB 0.176 41.014 40.800 0.063 0.000 1.197 357 D HN 0.548 nan 8.370 nan 0.000 0.432 358 I N -1.201 119.464 120.570 0.159 0.000 2.044 358 I HA -0.339 3.831 4.170 0.000 0.000 0.234 358 I C 1.173 177.357 176.117 0.112 0.000 1.031 358 I CA 1.470 62.869 61.300 0.165 0.000 1.305 358 I CB -1.167 37.016 38.000 0.306 0.000 1.026 358 I HN 0.622 nan 8.210 nan 0.000 0.392 359 T N -0.600 114.055 114.554 0.168 0.000 11.026 359 T HA -0.216 4.134 4.350 0.000 0.000 0.370 359 T C 0.277 174.863 174.700 -0.190 0.000 1.769 359 T CA 1.402 63.345 62.100 -0.261 0.000 2.867 359 T CB -1.448 67.250 68.868 -0.283 0.000 2.395 359 T HN 0.902 nan 8.240 nan 0.000 0.767 360 D N 0.655 121.088 120.400 0.055 0.000 3.840 360 D HA 0.368 5.008 4.640 0.000 0.000 0.136 360 D C -0.278 176.199 176.300 0.296 0.000 1.644 360 D CA 0.164 54.151 54.000 -0.021 0.000 1.224 360 D CB -0.308 40.072 40.800 -0.700 0.000 2.376 360 D HN 0.699 nan 8.370 nan 0.000 0.385 361 F N 0.046 120.127 119.950 0.219 0.000 3.098 361 F HA 0.630 5.157 4.527 0.000 0.000 0.403 361 F C -1.617 174.269 175.800 0.142 0.000 1.195 361 F CA -1.132 56.995 58.000 0.211 0.000 1.220 361 F CB 0.463 39.600 39.000 0.228 0.000 2.443 361 F HN 0.036 nan 8.300 nan 0.000 0.632 362 V N 3.738 123.880 119.914 0.380 0.000 2.667 362 V HA 0.538 4.658 4.120 0.000 0.000 0.308 362 V C 0.051 176.259 176.094 0.190 0.000 1.048 362 V CA -0.863 61.601 62.300 0.273 0.000 0.928 362 V CB 2.464 34.533 31.823 0.411 0.000 1.004 362 V HN 0.640 nan 8.190 nan 0.000 0.444 363 I N 3.633 124.257 120.570 0.091 0.000 2.465 363 I HA 0.738 4.908 4.170 0.000 0.000 0.291 363 I C -1.136 175.014 176.117 0.054 0.000 1.014 363 I CA -0.492 60.826 61.300 0.031 0.000 1.093 363 I CB 1.775 39.742 38.000 -0.055 0.000 1.267 363 I HN 0.599 nan 8.210 nan 0.000 0.431 364 R N 7.862 128.395 120.500 0.056 0.000 2.673 364 R HA 0.478 4.818 4.340 0.000 0.000 0.281 364 R C -2.272 174.061 176.300 0.055 0.000 0.991 364 R CA -2.046 54.087 56.100 0.055 0.000 0.896 364 R CB 1.789 32.126 30.300 0.062 0.000 1.201 364 R HN 0.432 nan 8.270 nan 0.000 0.457 365 P HA 0.020 nan 4.420 nan 0.000 0.234 365 P C -0.474 177.025 177.300 0.332 0.000 1.167 365 P CA 0.815 64.010 63.100 0.158 0.000 0.763 365 P CB 0.378 32.146 31.700 0.113 0.000 0.835 366 F N 0.218 120.099 119.950 -0.115 0.000 2.605 366 F HA 0.306 4.833 4.527 0.000 0.000 0.320 366 F C -0.231 175.368 175.800 -0.335 0.000 1.159 366 F CA -1.312 56.587 58.000 -0.168 0.000 0.999 366 F CB 1.968 40.924 39.000 -0.073 0.000 1.258 366 F HN -0.316 nan 8.300 nan 0.000 0.464 367 V N 1.641 121.240 119.914 -0.523 0.000 3.141 367 V HA 0.956 5.076 4.120 0.000 0.000 0.312 367 V C -1.278 174.461 176.094 -0.592 0.000 1.157 367 V CA -0.853 60.989 62.300 -0.765 0.000 1.041 367 V CB 2.489 33.816 31.823 -0.828 0.000 1.071 367 V HN 0.862 nan 8.190 nan 0.000 0.441 368 F N -2.081 117.958 119.950 0.148 0.000 3.908 368 F HA 0.685 5.212 4.527 0.000 0.000 0.327 368 F C -0.774 175.165 175.800 0.231 0.000 1.027 368 F CA -0.447 57.673 58.000 0.200 0.000 0.818 368 F CB 0.206 39.279 39.000 0.121 0.000 1.715 368 F HN 1.142 nan 8.300 nan 0.000 0.487 369 Q N 0.555 120.694 119.800 0.564 0.000 2.057 369 Q HA 0.092 4.432 4.340 0.000 0.000 0.279 369 Q C -1.370 174.696 176.000 0.112 0.000 0.842 369 Q CA 0.683 56.672 55.803 0.311 0.000 0.524 369 Q CB -1.027 27.979 28.738 0.447 0.000 0.641 369 Q HN 1.919 nan 8.270 nan 0.000 0.321 370 A N 4.471 127.277 122.820 -0.023 0.000 2.545 370 A HA 0.132 4.452 4.320 0.000 0.000 0.277 370 A C 1.110 178.509 177.584 -0.308 0.000 1.301 370 A CA 0.460 52.418 52.037 -0.131 0.000 0.935 370 A CB -0.282 18.619 19.000 -0.164 0.000 1.093 370 A HN 0.818 nan 8.150 nan 0.000 0.519 371 N N 0.280 118.792 118.700 -0.315 0.000 2.094 371 N HA -0.177 4.563 4.740 0.000 0.000 0.191 371 N C 1.322 176.439 175.510 -0.654 0.000 1.023 371 N CA 1.273 53.946 53.050 -0.629 0.000 0.857 371 N CB -0.062 38.302 38.487 -0.205 0.000 1.013 371 N HN 0.469 nan 8.380 nan 0.000 0.426 372 R N -0.537 119.785 120.500 -0.297 0.000 2.522 372 R HA 0.049 4.389 4.340 0.000 0.000 0.418 372 R C -1.418 174.869 176.300 -0.021 0.000 0.973 372 R CA -0.377 55.614 56.100 -0.182 0.000 1.096 372 R CB -0.028 30.193 30.300 -0.132 0.000 1.449 372 R HN 0.193 nan 8.270 nan 0.000 0.622 373 H N 0.253 119.199 119.070 -0.206 0.000 2.489 373 H HA 0.296 4.852 4.556 0.000 0.000 0.322 373 H C -1.055 174.150 175.328 -0.206 0.000 1.091 373 H CA 0.067 56.021 56.048 -0.156 0.000 1.291 373 H CB 0.492 30.104 29.762 -0.250 0.000 1.436 373 H HN 0.013 nan 8.280 nan 0.000 0.480 374 F N 1.767 121.727 119.950 0.017 0.000 2.557 374 F HA 0.224 4.751 4.527 0.000 0.000 0.336 374 F C 0.611 176.498 175.800 0.144 0.000 1.058 374 F CA -0.644 57.386 58.000 0.050 0.000 0.988 374 F CB 1.285 40.243 39.000 -0.070 0.000 1.275 374 F HN 0.555 nan 8.300 nan 0.000 0.488 375 D N -0.969 119.613 120.400 0.303 0.000 2.467 375 D HA 0.338 4.978 4.640 0.000 0.000 0.245 375 D C 0.328 176.802 176.300 0.289 0.000 1.038 375 D CA -0.375 53.801 54.000 0.292 0.000 1.038 375 D CB 1.054 41.985 40.800 0.218 0.000 1.278 375 D HN 0.267 nan 8.370 nan 0.000 0.564 376 F N 0.217 120.250 119.950 0.138 0.000 2.365 376 F HA 0.078 4.605 4.527 0.000 0.000 0.300 376 F C 1.608 177.504 175.800 0.159 0.000 1.090 376 F CA 0.642 58.734 58.000 0.153 0.000 1.408 376 F CB -0.042 39.043 39.000 0.141 0.000 1.060 376 F HN 0.314 nan 8.300 nan 0.000 0.534 377 N N 0.597 119.482 118.700 0.308 0.000 2.327 377 N HA 0.025 4.765 4.740 0.000 0.000 0.231 377 N C 0.380 175.992 175.510 0.169 0.000 1.130 377 N CA 0.253 53.428 53.050 0.210 0.000 0.845 377 N CB 0.376 38.965 38.487 0.170 0.000 1.073 377 N HN 0.231 nan 8.380 nan 0.000 0.496 378 Q N -0.753 119.162 119.800 0.192 0.000 2.177 378 Q HA -0.250 4.090 4.340 0.000 0.000 0.174 378 Q C -0.486 175.640 176.000 0.210 0.000 0.609 378 Q CA 1.424 57.361 55.803 0.223 0.000 1.453 378 Q CB -1.270 27.562 28.738 0.157 0.000 1.591 378 Q HN 0.509 nan 8.270 nan 0.000 0.818 379 E N 0.442 120.719 120.200 0.128 0.000 2.344 379 E HA 0.301 4.651 4.350 0.000 0.000 0.270 379 E C -0.118 176.450 176.600 -0.053 0.000 1.021 379 E CA 0.632 57.057 56.400 0.042 0.000 0.887 379 E CB 0.978 30.707 29.700 0.049 0.000 0.997 379 E HN 0.120 nan 8.360 nan 0.000 0.429 380 T N 0.795 115.229 114.554 -0.200 0.000 2.952 380 T HA 0.460 4.810 4.350 0.000 0.000 0.305 380 T C 0.247 174.786 174.700 -0.268 0.000 1.064 380 T CA -0.219 61.651 62.100 -0.384 0.000 1.008 380 T CB 1.464 69.686 68.868 -1.076 0.000 1.078 380 T HN 0.386 nan 8.240 nan 0.000 0.459 381 A N 3.477 126.166 122.820 -0.217 0.000 2.119 381 A HA 0.458 4.778 4.320 0.000 0.000 0.216 381 A C 1.486 178.956 177.584 -0.190 0.000 1.152 381 A CA 0.917 52.870 52.037 -0.141 0.000 0.708 381 A CB -0.961 17.976 19.000 -0.105 0.000 0.805 381 A HN 1.073 nan 8.150 nan 0.000 0.460 382 G N -1.567 107.019 108.800 -0.357 0.000 2.518 382 G HA2 0.138 4.098 3.960 0.000 0.000 0.284 382 G HA3 0.138 4.098 3.960 0.000 0.000 0.284 382 G C 0.388 175.096 174.900 -0.321 0.000 1.362 382 G CA 0.553 45.319 45.100 -0.556 0.000 1.065 382 G HN 1.026 nan 8.290 nan 0.000 0.561 383 W N -2.356 118.907 121.300 -0.061 0.000 1.857 383 W HA 0.481 5.141 4.660 0.000 0.000 0.244 383 W C 0.138 176.652 176.519 -0.009 0.000 0.859 383 W CA -0.204 57.116 57.345 -0.041 0.000 1.112 383 W CB -0.618 28.814 29.460 -0.046 0.000 0.967 383 W HN 0.418 nan 8.180 nan 0.000 0.524 384 S N 1.149 116.864 115.700 0.025 0.000 2.537 384 S HA 0.682 5.152 4.470 0.000 0.000 0.301 384 S C 0.074 174.739 174.600 0.109 0.000 1.092 384 S CA -0.425 57.857 58.200 0.138 0.000 1.048 384 S CB 1.867 65.121 63.200 0.091 0.000 1.053 384 S HN 0.046 nan 8.310 nan 0.000 0.501 385 T N 3.266 117.902 114.554 0.136 0.000 2.882 385 T HA 0.237 4.587 4.350 0.000 0.000 0.287 385 T C -1.710 173.001 174.700 0.018 0.000 1.014 385 T CA -1.359 60.828 62.100 0.146 0.000 1.049 385 T CB 0.363 69.290 68.868 0.098 0.000 1.001 385 T HN 0.268 nan 8.240 nan 0.000 0.525 386 P HA -0.147 nan 4.420 nan 0.000 0.219 386 P C 0.663 177.847 177.300 -0.193 0.000 1.158 386 P CA 1.140 64.134 63.100 -0.177 0.000 0.895 386 P CB 0.080 31.612 31.700 -0.280 0.000 0.792 387 R N -1.121 119.316 120.500 -0.106 0.000 2.740 387 R HA 0.060 4.400 4.340 0.000 0.000 0.263 387 R C -0.125 176.135 176.300 -0.067 0.000 0.997 387 R CA 0.624 56.705 56.100 -0.032 0.000 1.108 387 R CB -0.279 30.036 30.300 0.026 0.000 0.969 387 R HN 0.131 nan 8.270 nan 0.000 0.431 388 F N 2.560 122.573 119.950 0.106 0.000 2.532 388 F HA 0.379 4.906 4.527 0.000 0.000 0.365 388 F C 0.274 176.124 175.800 0.083 0.000 1.112 388 F CA -0.578 57.498 58.000 0.127 0.000 1.082 388 F CB 0.907 40.009 39.000 0.170 0.000 1.319 388 F HN 0.318 nan 8.300 nan 0.000 0.457 389 R N 2.577 123.280 120.500 0.338 0.000 2.950 389 R HA 0.571 4.911 4.340 0.000 0.000 0.253 389 R C -2.577 173.834 176.300 0.185 0.000 1.168 389 R CA -2.039 54.177 56.100 0.193 0.000 1.014 389 R CB 0.774 31.164 30.300 0.150 0.000 1.228 389 R HN 0.243 nan 8.270 nan 0.000 0.487 390 P HA 0.083 nan 4.420 nan 0.000 0.271 390 P C -0.796 176.610 177.300 0.176 0.000 1.233 390 P CA -0.064 63.101 63.100 0.108 0.000 0.789 390 P CB 0.398 32.138 31.700 0.067 0.000 0.951 391 I N 0.439 121.117 120.570 0.179 0.000 2.442 391 I HA 0.139 4.309 4.170 0.000 0.000 0.279 391 I C 0.506 176.770 176.117 0.246 0.000 1.081 391 I CA -0.021 61.434 61.300 0.259 0.000 1.197 391 I CB 0.261 38.412 38.000 0.252 0.000 1.394 391 I HN 0.130 nan 8.210 nan 0.000 0.488 392 T N 5.689 120.380 114.554 0.227 0.000 2.723 392 T HA 0.606 4.956 4.350 0.000 0.000 0.297 392 T C -0.661 174.139 174.700 0.166 0.000 0.925 392 T CA -0.218 61.973 62.100 0.152 0.000 1.030 392 T CB 0.131 69.044 68.868 0.074 0.000 0.905 392 T HN 0.331 nan 8.240 nan 0.000 0.502 393 V N 5.792 125.809 119.914 0.171 0.000 2.891 393 V HA 0.593 4.713 4.120 0.000 0.000 0.304 393 V C 0.521 176.681 176.094 0.110 0.000 1.171 393 V CA -0.263 62.133 62.300 0.160 0.000 0.943 393 V CB 2.331 34.305 31.823 0.252 0.000 1.037 393 V HN 1.161 nan 8.190 nan 0.000 0.427 394 T N 4.795 119.389 114.554 0.068 0.000 2.625 394 T HA 0.426 4.776 4.350 0.000 0.000 0.357 394 T C 0.286 175.005 174.700 0.031 0.000 1.053 394 T CA 0.697 62.819 62.100 0.037 0.000 1.037 394 T CB 0.699 69.571 68.868 0.007 0.000 1.123 394 T HN 0.929 nan 8.240 nan 0.000 0.520 395 I N -2.075 118.489 120.570 -0.011 0.000 3.524 395 I HA 0.531 4.701 4.170 0.000 0.000 0.312 395 I C -1.429 174.656 176.117 -0.054 0.000 1.203 395 I CA -1.201 60.092 61.300 -0.011 0.000 0.974 395 I CB 2.229 40.228 38.000 -0.001 0.000 1.352 395 I HN 0.757 nan 8.210 nan 0.000 0.475 396 S N 1.955 117.627 115.700 -0.047 0.000 2.668 396 S HA 0.514 4.984 4.470 0.000 0.000 0.277 396 S C -1.832 172.733 174.600 -0.058 0.000 1.170 396 S CA -0.595 57.566 58.200 -0.065 0.000 0.994 396 S CB 1.690 64.859 63.200 -0.051 0.000 1.051 396 S HN 0.432 nan 8.310 nan 0.000 0.484 397 Q N 1.828 121.582 119.800 -0.077 0.000 2.275 397 Q HA 0.490 4.830 4.340 0.000 0.000 0.266 397 Q C 0.215 176.176 176.000 -0.065 0.000 1.002 397 Q CA -1.111 54.651 55.803 -0.068 0.000 0.761 397 Q CB 1.092 29.782 28.738 -0.079 0.000 1.255 397 Q HN 0.368 nan 8.270 nan 0.000 0.446 398 K N 1.095 121.466 120.400 -0.047 0.000 2.108 398 K HA 0.173 4.493 4.320 0.000 0.000 0.204 398 K C -0.107 176.477 176.600 -0.026 0.000 1.036 398 K CA 0.659 56.923 56.287 -0.038 0.000 0.965 398 K CB 0.283 32.766 32.500 -0.029 0.000 0.804 398 K HN 0.532 nan 8.250 nan 0.000 0.454 399 E N -0.649 119.539 120.200 -0.020 0.000 2.537 399 E HA 0.068 4.418 4.350 0.000 0.000 0.145 399 E C -0.728 175.870 176.600 -0.003 0.000 0.976 399 E CA 0.509 56.907 56.400 -0.004 0.000 1.302 399 E CB -0.446 29.256 29.700 0.003 0.000 0.857 399 E HN 0.496 nan 8.360 nan 0.000 0.377 400 G N 1.169 109.960 108.800 -0.016 0.000 4.885 400 G HA2 0.399 4.360 3.960 0.000 0.000 0.263 400 G HA3 0.399 4.360 3.960 0.000 0.000 0.263 400 G C 0.733 175.607 174.900 -0.042 0.000 1.168 400 G CA 0.349 45.437 45.100 -0.021 0.000 0.906 400 G HN 0.135 nan 8.290 nan 0.000 0.575 401 E N -0.616 119.560 120.200 -0.041 0.000 4.001 401 E HA -0.469 3.881 4.350 0.000 0.000 0.234 401 E C 1.517 178.050 176.600 -0.111 0.000 1.285 401 E CA 1.935 58.291 56.400 -0.073 0.000 2.099 401 E CB -1.026 28.619 29.700 -0.091 0.000 1.843 401 E HN 0.395 nan 8.360 nan 0.000 0.275 402 M N 0.896 120.395 119.600 -0.169 0.000 3.208 402 M HA 0.067 4.547 4.480 0.000 0.000 0.180 402 M C 1.123 177.390 176.300 -0.055 0.000 0.956 402 M CA 1.407 56.602 55.300 -0.176 0.000 0.700 402 M CB -0.422 32.051 32.600 -0.212 0.000 0.624 402 M HN 0.465 nan 8.290 nan 0.000 0.505 403 L N -1.662 119.553 121.223 -0.013 0.000 6.963 403 L HA -0.233 4.107 4.340 0.000 0.000 0.053 403 L C 0.611 177.501 176.870 0.034 0.000 1.740 403 L CA 1.976 56.825 54.840 0.015 0.000 1.613 403 L CB -2.590 39.465 42.059 -0.007 0.000 2.780 403 L HN 1.120 nan 8.230 nan 0.000 1.092 404 G N -0.436 108.371 108.800 0.012 0.000 2.854 404 G HA2 -0.028 3.932 3.960 0.000 0.000 0.686 404 G HA3 -0.028 3.932 3.960 0.000 0.000 0.686 404 G C 0.337 175.247 174.900 0.018 0.000 1.202 404 G CA 0.095 45.204 45.100 0.015 0.000 0.878 404 G HN 1.285 nan 8.290 nan 0.000 0.583 405 I N 0.041 120.602 120.570 -0.014 0.000 4.338 405 I HA 0.363 4.533 4.170 0.000 0.000 0.315 405 I C 2.122 178.199 176.117 -0.066 0.000 1.262 405 I CA 1.370 62.636 61.300 -0.057 0.000 1.298 405 I CB -0.901 37.052 38.000 -0.077 0.000 1.257 405 I HN 2.228 nan 8.210 nan 0.000 0.444 406 G N 2.319 111.106 108.800 -0.022 0.000 5.229 406 G HA2 -0.364 3.596 3.960 0.000 0.000 0.250 406 G HA3 -0.364 3.596 3.960 0.000 0.000 0.250 406 G C 0.665 175.567 174.900 0.003 0.000 1.380 406 G CA 1.626 46.732 45.100 0.010 0.000 0.933 406 G HN 0.644 nan 8.290 nan 0.000 0.731 407 V N 0.399 120.298 119.914 -0.025 0.000 3.440 407 V HA 0.078 4.198 4.120 0.000 0.000 0.377 407 V C 1.681 177.825 176.094 0.083 0.000 2.191 407 V CA 2.582 64.880 62.300 -0.004 0.000 2.193 407 V CB -0.660 31.132 31.823 -0.052 0.000 1.831 407 V HN 2.834 nan 8.190 nan 0.000 0.510 408 A N 1.301 124.171 122.820 0.083 0.000 1.840 408 A HA 0.199 4.519 4.320 0.000 0.000 0.341 408 A C 0.660 178.245 177.584 0.002 0.000 0.784 408 A CA 2.222 54.303 52.037 0.073 0.000 1.538 408 A CB -0.771 18.246 19.000 0.028 0.000 0.619 408 A HN 2.552 nan 8.150 nan 0.000 0.209 409 T N 1.305 115.780 114.554 -0.132 0.000 3.999 409 T HA 0.428 4.778 4.350 0.000 0.000 0.257 409 T C -0.457 173.797 174.700 -0.743 0.000 0.606 409 T CA 0.440 62.363 62.100 -0.295 0.000 0.973 409 T CB -0.353 68.435 68.868 -0.133 0.000 1.182 409 T HN 1.217 nan 8.240 nan 0.000 0.494 410 D N 1.542 121.611 120.400 -0.551 0.000 3.062 410 D HA -0.081 4.559 4.640 0.000 0.000 0.216 410 D C -0.956 175.030 176.300 -0.523 0.000 1.097 410 D CA 1.151 54.856 54.000 -0.492 0.000 0.858 410 D CB -1.487 39.067 40.800 -0.410 0.000 1.092 410 D HN 0.566 nan 8.370 nan 0.000 0.438 411 Y N -0.325 120.008 120.300 0.054 0.000 2.630 411 Y HA 0.515 5.065 4.550 0.000 0.000 0.337 411 Y C 1.352 177.289 175.900 0.062 0.000 1.051 411 Y CA -1.427 56.714 58.100 0.067 0.000 1.121 411 Y CB 0.610 39.106 38.460 0.060 0.000 1.299 411 Y HN -0.068 nan 8.280 nan 0.000 0.498 412 I N -0.450 120.290 120.570 0.283 0.000 3.914 412 I HA 0.379 4.549 4.170 0.000 0.000 0.333 412 I C -0.788 175.422 176.117 0.156 0.000 1.449 412 I CA -0.497 60.909 61.300 0.176 0.000 1.135 412 I CB -0.827 37.266 38.000 0.155 0.000 1.073 412 I HN 0.161 nan 8.210 nan 0.000 0.401 413 V N 3.553 123.571 119.914 0.173 0.000 2.569 413 V HA 0.400 4.520 4.120 0.000 0.000 0.301 413 V C -2.434 173.711 176.094 0.086 0.000 1.044 413 V CA -1.300 61.068 62.300 0.114 0.000 0.874 413 V CB 1.742 33.636 31.823 0.119 0.000 1.002 413 V HN 0.078 nan 8.190 nan 0.000 0.424 414 P HA -0.056 nan 4.420 nan 0.000 0.238 414 P C 0.924 178.229 177.300 0.008 0.000 1.090 414 P CA 1.648 64.770 63.100 0.036 0.000 0.944 414 P CB -0.084 31.627 31.700 0.019 0.000 0.881 415 G N 2.781 111.606 108.800 0.043 0.000 2.295 415 G HA2 -0.242 3.718 3.960 0.000 0.000 0.287 415 G HA3 -0.242 3.718 3.960 0.000 0.000 0.287 415 G C -0.165 174.679 174.900 -0.093 0.000 1.055 415 G CA -0.170 44.936 45.100 0.011 0.000 0.922 415 G HN 0.546 nan 8.290 nan 0.000 0.503 416 I N -0.125 120.374 120.570 -0.118 0.000 2.500 416 I HA 0.341 4.511 4.170 0.000 0.000 0.286 416 I C -2.378 173.237 176.117 -0.837 0.000 1.063 416 I CA -2.504 58.540 61.300 -0.426 0.000 1.062 416 I CB 2.595 40.349 38.000 -0.409 0.000 1.223 416 I HN -0.185 nan 8.210 nan 0.000 0.435 417 P HA -0.068 nan 4.420 nan 0.000 0.258 417 P C 0.061 176.826 177.300 -0.892 0.000 1.172 417 P CA 0.322 62.592 63.100 -1.383 0.000 0.762 417 P CB 0.425 32.004 31.700 -0.201 0.000 0.764 418 D N 2.761 122.616 120.400 -0.909 0.000 2.358 418 D HA 0.035 4.675 4.640 0.000 0.000 0.241 418 D C 1.381 177.840 176.300 0.266 0.000 1.094 418 D CA 0.819 54.869 54.000 0.082 0.000 0.907 418 D CB -0.408 40.658 40.800 0.443 0.000 0.893 418 D HN 0.481 nan 8.370 nan 0.000 0.528 419 G N -1.382 107.581 108.800 0.272 0.000 3.873 419 G HA2 -0.043 3.917 3.960 0.000 0.000 0.232 419 G HA3 -0.043 3.917 3.960 0.000 0.000 0.232 419 G C -0.210 174.908 174.900 0.364 0.000 1.097 419 G CA -0.562 44.753 45.100 0.358 0.000 0.889 419 G HN 0.164 nan 8.290 nan 0.000 0.532 420 W N 3.408 124.780 121.300 0.121 0.000 2.264 420 W HA 0.160 4.820 4.660 0.000 0.000 0.331 420 W C -1.330 175.297 176.519 0.181 0.000 1.364 420 W CA -1.019 56.350 57.345 0.040 0.000 1.253 420 W CB 0.996 30.327 29.460 -0.216 0.000 1.215 420 W HN 0.083 nan 8.180 nan 0.000 0.561 421 P HA -0.155 nan 4.420 nan 0.000 0.314 421 P C -0.001 177.361 177.300 0.104 0.000 1.376 421 P CA 1.030 64.001 63.100 -0.215 0.000 0.821 421 P CB 0.808 31.790 31.700 -1.196 0.000 1.691 422 D N -2.251 118.116 120.400 -0.055 0.000 3.029 422 D HA 0.016 4.656 4.640 0.000 0.000 0.181 422 D C -0.339 176.060 176.300 0.165 0.000 1.356 422 D CA 0.716 54.827 54.000 0.186 0.000 1.532 422 D CB -0.725 40.197 40.800 0.204 0.000 1.204 422 D HN 0.424 nan 8.370 nan 0.000 0.184 423 T N 0.482 115.165 114.554 0.215 0.000 2.657 423 T HA 0.041 4.391 4.350 0.000 0.000 0.245 423 T C 1.073 175.949 174.700 0.293 0.000 1.021 423 T CA 1.097 63.348 62.100 0.252 0.000 1.155 423 T CB -0.227 68.813 68.868 0.286 0.000 1.022 423 T HN 0.399 nan 8.240 nan 0.000 0.477 424 T N 2.496 117.181 114.554 0.218 0.000 4.252 424 T HA 0.521 4.871 4.350 0.000 0.000 0.227 424 T C 0.892 175.714 174.700 0.203 0.000 0.805 424 T CA -0.160 62.064 62.100 0.207 0.000 1.994 424 T CB 0.159 69.114 68.868 0.145 0.000 2.236 424 T HN 0.959 nan 8.240 nan 0.000 0.337 425 I N -0.235 120.419 120.570 0.139 0.000 2.608 425 I HA 0.459 4.629 4.170 0.000 0.000 0.295 425 I C -2.374 173.785 176.117 0.069 0.000 1.049 425 I CA -3.039 58.321 61.300 0.100 0.000 1.063 425 I CB 1.122 39.169 38.000 0.079 0.000 1.248 425 I HN 0.299 nan 8.210 nan 0.000 0.424 426 P HA -0.060 nan 4.420 nan 0.000 0.219 426 P C 0.270 177.582 177.300 0.020 0.000 1.150 426 P CA 1.261 64.380 63.100 0.031 0.000 0.814 426 P CB 0.617 32.327 31.700 0.017 0.000 0.787 427 N N -1.526 117.181 118.700 0.012 0.000 3.255 427 N HA 0.096 4.836 4.740 0.000 0.000 0.359 427 N C 1.051 176.573 175.510 0.019 0.000 1.463 427 N CA -0.593 52.462 53.050 0.009 0.000 0.695 427 N CB 0.750 39.232 38.487 -0.008 0.000 1.581 427 N HN -0.216 nan 8.380 nan 0.000 0.622 428 E N 0.320 120.529 120.200 0.015 0.000 2.014 428 E HA 0.098 4.448 4.350 0.000 0.000 0.190 428 E C -0.299 176.322 176.600 0.034 0.000 0.980 428 E CA 0.582 56.998 56.400 0.027 0.000 0.807 428 E CB -0.061 29.651 29.700 0.021 0.000 0.770 428 E HN 0.451 nan 8.360 nan 0.000 0.451 429 L N 0.434 121.667 121.223 0.017 0.000 0.628 429 L HA -0.253 4.087 4.340 0.000 0.000 0.357 429 L C 0.121 177.028 176.870 0.062 0.000 1.003 429 L CA 0.868 55.717 54.840 0.015 0.000 1.222 429 L CB -1.057 40.997 42.059 -0.009 0.000 0.017 429 L HN 0.502 nan 8.230 nan 0.000 0.108 430 I N -2.213 118.400 120.570 0.072 0.000 3.264 430 I HA 0.812 4.982 4.170 0.000 0.000 0.315 430 I C -2.670 173.582 176.117 0.225 0.000 1.154 430 I CA -2.571 58.809 61.300 0.133 0.000 0.962 430 I CB 2.083 40.135 38.000 0.088 0.000 1.265 430 I HN 0.235 nan 8.210 nan 0.000 0.463 431 P HA 0.438 nan 4.420 nan 0.000 0.274 431 P C -1.311 176.244 177.300 0.425 0.000 1.260 431 P CA -0.360 63.121 63.100 0.634 0.000 0.793 431 P CB 0.655 32.586 31.700 0.385 0.000 1.048 432 A N 0.495 123.683 122.820 0.613 0.000 2.550 432 A HA 0.569 4.889 4.320 0.000 0.000 0.282 432 A C 0.764 178.608 177.584 0.434 0.000 1.071 432 A CA 0.046 52.273 52.037 0.316 0.000 0.838 432 A CB 0.255 19.273 19.000 0.031 0.000 1.361 432 A HN 0.684 nan 8.150 nan 0.000 0.408 433 G N 2.347 111.323 108.800 0.292 0.000 2.787 433 G HA2 -0.329 3.631 3.960 0.000 0.000 0.374 433 G HA3 -0.329 3.631 3.960 0.000 0.000 0.374 433 G C 0.397 175.507 174.900 0.350 0.000 1.003 433 G CA 1.717 46.971 45.100 0.256 0.000 0.833 433 G HN 0.791 nan 8.290 nan 0.000 0.824 434 D N -2.478 118.132 120.400 0.351 0.000 2.726 434 D HA 0.524 5.164 4.640 0.000 0.000 0.241 434 D C -0.081 176.582 176.300 0.607 0.000 1.150 434 D CA -0.681 53.560 54.000 0.402 0.000 1.089 434 D CB 0.212 41.159 40.800 0.245 0.000 1.260 434 D HN 0.098 nan 8.370 nan 0.000 0.637 435 Y N 0.409 120.901 120.300 0.321 0.000 2.385 435 Y HA 0.366 4.917 4.550 0.000 0.000 0.346 435 Y C 0.374 176.422 175.900 0.246 0.000 1.270 435 Y CA -0.826 57.487 58.100 0.355 0.000 1.472 435 Y CB 0.514 39.157 38.460 0.305 0.000 1.354 435 Y HN 0.181 nan 8.280 nan 0.000 0.611 436 A N 4.075 127.005 122.820 0.184 0.000 2.483 436 A HA 0.325 4.645 4.320 0.000 0.000 0.308 436 A C 0.933 178.515 177.584 -0.004 0.000 1.291 436 A CA -0.550 51.517 52.037 0.050 0.000 0.774 436 A CB -0.179 18.771 19.000 -0.084 0.000 1.134 436 A HN 0.951 nan 8.150 nan 0.000 0.471 437 I N 2.020 122.640 120.570 0.084 0.000 2.182 437 I HA -0.391 3.779 4.170 0.000 0.000 0.248 437 I C 1.801 177.819 176.117 -0.166 0.000 1.073 437 I CA 2.801 64.101 61.300 0.001 0.000 1.335 437 I CB 0.161 38.209 38.000 0.081 0.000 1.031 437 I HN 0.843 nan 8.210 nan 0.000 0.420 438 T N -0.799 113.685 114.554 -0.117 0.000 12.493 438 T HA -0.342 4.008 4.350 0.000 0.000 0.412 438 T C 0.328 174.964 174.700 -0.107 0.000 1.492 438 T CA 1.749 63.766 62.100 -0.139 0.000 2.445 438 T CB -0.797 67.943 68.868 -0.213 0.000 2.784 438 T HN 0.591 nan 8.240 nan 0.000 0.755 439 N N 0.620 119.252 118.700 -0.113 0.000 3.261 439 N HA 0.416 5.156 4.740 0.000 0.000 0.227 439 N C -0.362 175.114 175.510 -0.058 0.000 1.338 439 N CA 0.140 53.146 53.050 -0.073 0.000 0.833 439 N CB 0.778 39.218 38.487 -0.080 0.000 1.606 439 N HN 0.319 nan 8.380 nan 0.000 0.649 440 Q N -0.165 119.627 119.800 -0.013 0.000 2.016 440 Q HA -0.247 4.093 4.340 0.000 0.000 0.470 440 Q C -0.306 175.716 176.000 0.038 0.000 0.822 440 Q CA 2.054 57.870 55.803 0.022 0.000 0.766 440 Q CB -0.904 27.846 28.738 0.021 0.000 4.025 440 Q HN 0.745 nan 8.270 nan 0.000 0.850 441 S N -1.937 113.793 115.700 0.049 0.000 2.549 441 S HA 0.688 5.158 4.470 0.000 0.000 0.280 441 S C 0.352 174.975 174.600 0.039 0.000 1.109 441 S CA -0.280 57.958 58.200 0.063 0.000 0.905 441 S CB 2.142 65.395 63.200 0.088 0.000 1.081 441 S HN 1.723 nan 8.310 nan 0.000 0.477 442 G N 1.321 110.142 108.800 0.035 0.000 2.140 442 G HA2 -0.205 3.755 3.960 0.000 0.000 0.211 442 G HA3 -0.205 3.755 3.960 0.000 0.000 0.211 442 G C -0.444 174.464 174.900 0.013 0.000 1.013 442 G CA -0.403 44.711 45.100 0.024 0.000 0.705 442 G HN 0.763 nan 8.290 nan 0.000 0.508 443 N N 1.955 120.660 118.700 0.007 0.000 2.719 443 N HA 0.500 5.240 4.740 0.000 0.000 0.243 443 N C -0.916 174.588 175.510 -0.009 0.000 1.104 443 N CA -0.035 53.010 53.050 -0.009 0.000 0.981 443 N CB 0.622 39.092 38.487 -0.028 0.000 1.290 443 N HN 0.584 nan 8.380 nan 0.000 0.513 444 D N -0.374 120.023 120.400 -0.005 0.000 2.753 444 D HA 0.230 4.870 4.640 0.000 0.000 0.224 444 D C 0.998 177.296 176.300 -0.003 0.000 1.213 444 D CA -0.847 53.151 54.000 -0.004 0.000 0.833 444 D CB 0.841 41.643 40.800 0.003 0.000 1.607 444 D HN 0.224 nan 8.370 nan 0.000 0.463 445 I N -1.888 118.679 120.570 -0.004 0.000 3.177 445 I HA -0.402 3.768 4.170 0.000 0.000 0.278 445 I C 0.684 176.800 176.117 -0.002 0.000 0.694 445 I CA 2.075 63.374 61.300 -0.002 0.000 1.558 445 I CB -0.736 37.264 38.000 0.001 0.000 1.131 445 I HN 0.586 nan 8.210 nan 0.000 0.438 446 Q N 1.478 121.276 119.800 -0.004 0.000 2.127 446 Q HA 0.263 4.603 4.340 0.000 0.000 0.222 446 Q C 0.211 176.207 176.000 -0.007 0.000 0.794 446 Q CA 0.599 56.401 55.803 -0.002 0.000 1.010 446 Q CB 0.516 29.254 28.738 -0.000 0.000 1.170 446 Q HN 0.750 nan 8.270 nan 0.000 0.479 447 T N -1.719 112.827 114.554 -0.013 0.000 2.598 447 T HA 0.499 4.849 4.350 0.000 0.000 0.254 447 T C -0.529 174.155 174.700 -0.026 0.000 0.889 447 T CA -0.692 61.394 62.100 -0.024 0.000 1.091 447 T CB 0.675 69.522 68.868 -0.034 0.000 1.437 447 T HN -0.072 nan 8.240 nan 0.000 0.542 448 K N 1.248 121.624 120.400 -0.041 0.000 4.361 448 K HA -0.124 4.196 4.320 0.000 0.000 0.294 448 K C -0.216 176.366 176.600 -0.031 0.000 0.970 448 K CA 0.677 56.940 56.287 -0.039 0.000 0.913 448 K CB -1.267 31.217 32.500 -0.027 0.000 1.583 448 K HN 0.865 nan 8.250 nan 0.000 0.438 449 E N 0.103 120.279 120.200 -0.041 0.000 2.321 449 E HA 0.060 4.410 4.350 0.000 0.000 0.158 449 E C 0.345 176.926 176.600 -0.031 0.000 0.877 449 E CA 0.682 57.068 56.400 -0.023 0.000 1.344 449 E CB 0.312 30.010 29.700 -0.004 0.000 1.630 449 E HN 0.514 nan 8.360 nan 0.000 0.669 450 E N -1.204 118.939 120.200 -0.095 0.000 3.435 450 E HA -0.227 4.123 4.350 0.000 0.000 0.225 450 E C -0.563 175.847 176.600 -0.318 0.000 1.097 450 E CA 0.820 57.098 56.400 -0.205 0.000 2.075 450 E CB -1.205 28.459 29.700 -0.060 0.000 1.728 450 E HN 0.101 nan 8.360 nan 0.000 0.480 451 Y N 2.065 122.350 120.300 -0.025 0.000 2.897 451 Y HA 0.210 4.761 4.550 0.000 0.000 0.372 451 Y C 0.180 176.067 175.900 -0.021 0.000 1.034 451 Y CA -0.003 58.082 58.100 -0.025 0.000 1.627 451 Y CB 0.426 38.872 38.460 -0.023 0.000 1.474 451 Y HN 0.059 nan 8.280 nan 0.000 0.517 452 E N 1.261 121.494 120.200 0.054 0.000 2.778 452 E HA 0.102 4.452 4.350 0.000 0.000 0.318 452 E C -0.212 176.410 176.600 0.036 0.000 1.309 452 E CA 0.270 56.692 56.400 0.036 0.000 1.419 452 E CB -0.255 29.447 29.700 0.004 0.000 1.150 452 E HN 0.408 nan 8.360 nan 0.000 0.492 453 S N -1.691 114.046 115.700 0.061 0.000 2.595 453 S HA 0.078 4.548 4.470 0.000 0.000 0.279 453 S C 0.226 174.865 174.600 0.064 0.000 0.729 453 S CA -0.219 58.009 58.200 0.046 0.000 1.279 453 S CB -0.280 62.936 63.200 0.026 0.000 1.583 453 S HN 0.373 nan 8.310 nan 0.000 0.457 454 A N 1.644 124.488 122.820 0.040 0.000 1.887 454 A HA 0.277 4.597 4.320 0.000 0.000 0.212 454 A C 1.441 179.048 177.584 0.038 0.000 1.198 454 A CA 1.042 53.100 52.037 0.036 0.000 0.628 454 A CB -0.258 18.751 19.000 0.015 0.000 0.847 454 A HN 0.833 nan 8.150 nan 0.000 0.449 455 M N 0.309 119.924 119.600 0.026 0.000 3.092 455 M HA 0.396 4.876 4.480 0.000 0.000 0.228 455 M C -0.986 175.325 176.300 0.018 0.000 1.301 455 M CA 0.163 55.475 55.300 0.020 0.000 1.216 455 M CB -0.545 32.064 32.600 0.014 0.000 1.356 455 M HN 0.272 nan 8.290 nan 0.000 0.463 456 I N -0.025 120.564 120.570 0.032 0.000 3.294 456 I HA 0.735 4.905 4.170 0.000 0.000 0.311 456 I C -1.012 175.119 176.117 0.024 0.000 1.111 456 I CA -0.680 60.631 61.300 0.019 0.000 0.976 456 I CB 2.409 40.427 38.000 0.030 0.000 1.260 456 I HN 0.365 nan 8.210 nan 0.000 0.474 457 I N -0.057 120.483 120.570 -0.049 0.000 2.243 457 I HA 0.147 4.318 4.170 0.000 0.000 0.316 457 I C -0.763 175.233 176.117 -0.203 0.000 2.421 457 I CA 0.227 61.439 61.300 -0.148 0.000 0.924 457 I CB 1.520 39.468 38.000 -0.087 0.000 1.786 457 I HN 0.335 nan 8.210 nan 0.000 0.677 458 S N 2.156 117.684 115.700 -0.286 0.000 3.082 458 S HA 0.430 4.900 4.470 0.000 0.000 0.253 458 S C 0.158 174.617 174.600 -0.235 0.000 0.961 458 S CA -0.378 57.678 58.200 -0.240 0.000 1.129 458 S CB -0.168 62.894 63.200 -0.231 0.000 1.083 458 S HN 0.605 nan 8.310 nan 0.000 0.605 459 N N 1.806 120.367 118.700 -0.232 0.000 2.833 459 N HA 0.129 4.869 4.740 0.000 0.000 0.168 459 N C 0.069 175.462 175.510 -0.195 0.000 1.383 459 N CA -0.198 52.734 53.050 -0.197 0.000 1.103 459 N CB -0.510 37.874 38.487 -0.172 0.000 1.235 459 N HN 0.360 nan 8.380 nan 0.000 0.437 460 N N 0.953 119.552 118.700 -0.168 0.000 1.903 460 N HA -0.190 4.550 4.740 0.000 0.000 0.309 460 N C 0.220 175.590 175.510 -0.232 0.000 1.241 460 N CA 1.491 54.431 53.050 -0.183 0.000 0.802 460 N CB 0.361 38.768 38.487 -0.133 0.000 1.026 460 N HN 0.443 nan 8.380 nan 0.000 0.492 461 T N 1.456 115.825 114.554 -0.309 0.000 3.418 461 T HA 0.117 4.467 4.350 0.000 0.000 0.282 461 T C -0.044 174.267 174.700 -0.649 0.000 0.863 461 T CA 0.405 62.278 62.100 -0.379 0.000 0.823 461 T CB -0.713 67.905 68.868 -0.418 0.000 1.239 461 T HN 0.738 nan 8.240 nan 0.000 0.766 462 N N -0.056 118.221 118.700 -0.705 0.000 2.984 462 N HA -0.137 4.603 4.740 0.000 0.000 0.227 462 N C -0.548 174.165 175.510 -1.328 0.000 0.903 462 N CA 1.648 54.088 53.050 -1.017 0.000 0.995 462 N CB -1.431 36.385 38.487 -1.119 0.000 1.065 462 N HN 0.604 nan 8.380 nan 0.000 0.585 463 F N -0.232 119.550 119.950 -0.279 0.000 2.779 463 F HA 0.224 4.751 4.527 0.000 0.000 0.345 463 F C 1.215 176.721 175.800 -0.489 0.000 1.270 463 F CA -0.655 57.102 58.000 -0.404 0.000 1.074 463 F CB -0.163 38.394 39.000 -0.739 0.000 1.268 463 F HN -0.178 nan 8.300 nan 0.000 0.508 464 K N -0.198 120.003 120.400 -0.331 0.000 2.448 464 K HA -0.092 4.228 4.320 0.000 0.000 0.200 464 K C 0.263 176.571 176.600 -0.488 0.000 1.045 464 K CA 1.393 57.456 56.287 -0.373 0.000 0.933 464 K CB -0.395 31.940 32.500 -0.275 0.000 0.755 464 K HN 0.197 nan 8.250 nan 0.000 0.481 465 S N 0.805 116.279 115.700 -0.378 0.000 2.300 465 S HA 0.336 4.806 4.470 0.000 0.000 0.172 465 S C -0.781 173.741 174.600 -0.131 0.000 1.484 465 S CA -0.738 57.287 58.200 -0.292 0.000 1.265 465 S CB 0.376 63.598 63.200 0.038 0.000 1.313 465 S HN 0.144 nan 8.310 nan 0.000 0.387 466 M N 1.879 121.259 119.600 -0.366 0.000 2.326 466 M HA 0.440 4.920 4.480 0.000 0.000 0.306 466 M C -1.544 174.745 176.300 -0.018 0.000 1.054 466 M CA -0.446 54.786 55.300 -0.113 0.000 0.922 466 M CB 1.598 33.965 32.600 -0.389 0.000 1.632 466 M HN 0.248 nan 8.290 nan 0.000 0.436 467 Y N 2.870 123.214 120.300 0.073 0.000 2.336 467 Y HA 0.273 4.823 4.550 0.000 0.000 0.335 467 Y C 0.656 176.624 175.900 0.115 0.000 1.046 467 Y CA -0.538 57.648 58.100 0.143 0.000 1.198 467 Y CB 0.596 39.103 38.460 0.078 0.000 1.182 467 Y HN 0.393 nan 8.280 nan 0.000 0.502 468 I N 4.923 125.645 120.570 0.253 0.000 2.372 468 I HA -0.006 4.164 4.170 0.000 0.000 0.298 468 I C 0.760 176.995 176.117 0.198 0.000 1.137 468 I CA -0.571 60.868 61.300 0.232 0.000 1.314 468 I CB -1.355 36.772 38.000 0.211 0.000 1.444 468 I HN 0.674 nan 8.210 nan 0.000 0.541 469 C N 3.624 123.008 119.300 0.141 0.000 2.633 469 C HA 0.643 5.103 4.460 0.000 0.000 0.345 469 C C 1.292 176.316 174.990 0.057 0.000 1.384 469 C CA -0.676 58.393 59.018 0.086 0.000 2.418 469 C CB 0.222 27.987 27.740 0.042 0.000 2.425 469 C HN 0.872 nan 8.230 nan 0.000 0.705 470 G N 2.079 110.898 108.800 0.031 0.000 3.343 470 G HA2 0.434 4.394 3.960 0.000 0.000 0.279 470 G HA3 0.434 4.394 3.960 0.000 0.000 0.279 470 G C 0.303 175.205 174.900 0.004 0.000 0.919 470 G CA 0.077 45.178 45.100 0.002 0.000 1.812 470 G HN 1.225 nan 8.290 nan 0.000 0.584 471 S N 1.369 117.069 115.700 0.001 0.000 2.817 471 S HA 0.163 4.633 4.470 0.000 0.000 0.333 471 S C -0.027 174.572 174.600 -0.001 0.000 1.227 471 S CA -0.146 58.052 58.200 -0.003 0.000 1.027 471 S CB 1.119 64.301 63.200 -0.029 0.000 0.732 471 S HN 0.856 nan 8.310 nan 0.000 0.499 472 L N 1.738 122.967 121.223 0.010 0.000 2.735 472 L HA 0.409 4.749 4.340 0.000 0.000 0.258 472 L C -1.079 175.803 176.870 0.020 0.000 0.920 472 L CA -0.398 54.448 54.840 0.011 0.000 0.958 472 L CB 1.938 44.005 42.059 0.013 0.000 1.499 472 L HN 0.990 nan 8.230 nan 0.000 0.441 473 Q N 4.070 123.878 119.800 0.015 0.000 2.215 473 Q HA 0.567 4.907 4.340 0.000 0.000 0.256 473 Q C -0.095 175.924 176.000 0.030 0.000 0.972 473 Q CA -0.113 55.702 55.803 0.019 0.000 0.889 473 Q CB 2.349 31.091 28.738 0.006 0.000 1.281 473 Q HN 0.739 nan 8.270 nan 0.000 0.456 474 R N 1.415 121.941 120.500 0.043 0.000 1.855 474 R HA 0.671 5.011 4.340 0.000 0.000 0.168 474 R C -0.215 176.124 176.300 0.065 0.000 1.791 474 R CA 0.629 56.764 56.100 0.058 0.000 1.428 474 R CB 0.097 30.446 30.300 0.082 0.000 1.037 474 R HN 0.785 nan 8.270 nan 0.000 0.483 475 A N -2.905 119.975 122.820 0.100 0.000 4.246 475 A HA 0.104 4.424 4.320 0.000 0.000 0.085 475 A C -0.863 176.860 177.584 0.231 0.000 1.338 475 A CA 0.207 52.316 52.037 0.119 0.000 2.088 475 A CB -0.940 18.114 19.000 0.090 0.000 2.420 475 A HN 0.614 nan 8.150 nan 0.000 1.073 476 W N -1.119 120.176 121.300 -0.008 0.000 0.689 476 W HA -0.267 4.393 4.660 0.000 0.000 0.218 476 W C 1.291 177.805 176.519 -0.008 0.000 0.922 476 W CA 3.457 60.797 57.345 -0.007 0.000 0.341 476 W CB -1.805 27.651 29.460 -0.007 0.000 1.916 476 W HN 1.499 nan 8.180 nan 0.000 1.294 477 G N 0.120 109.069 108.800 0.248 0.000 2.683 477 G HA2 0.031 3.991 3.960 0.000 0.000 0.213 477 G HA3 0.031 3.991 3.960 0.000 0.000 0.213 477 G C 1.073 176.030 174.900 0.095 0.000 1.142 477 G CA 1.423 46.600 45.100 0.128 0.000 0.793 477 G HN 0.457 nan 8.290 nan 0.000 0.534 478 N N -0.281 118.478 118.700 0.098 0.000 3.644 478 N HA -0.212 4.528 4.740 0.000 0.000 0.220 478 N C 0.478 176.014 175.510 0.043 0.000 0.167 478 N CA 1.909 54.999 53.050 0.065 0.000 3.334 478 N CB -1.090 37.431 38.487 0.058 0.000 1.186 478 N HN 0.274 nan 8.380 nan 0.000 0.301 479 K N 4.635 125.061 120.400 0.043 0.000 2.365 479 K HA -0.006 4.314 4.320 0.000 0.000 0.268 479 K C 0.767 177.390 176.600 0.039 0.000 1.173 479 K CA 0.911 57.225 56.287 0.044 0.000 1.204 479 K CB 0.088 32.624 32.500 0.061 0.000 0.832 479 K HN 0.249 nan 8.250 nan 0.000 0.481 480 K N 0.652 121.072 120.400 0.034 0.000 2.679 480 K HA 0.287 4.607 4.320 0.000 0.000 0.280 480 K C 0.347 176.970 176.600 0.039 0.000 1.040 480 K CA -0.208 56.095 56.287 0.027 0.000 1.002 480 K CB 0.366 32.878 32.500 0.020 0.000 1.276 480 K HN 0.166 nan 8.250 nan 0.000 0.492 481 V N 0.068 119.997 119.914 0.025 0.000 5.040 481 V HA -0.194 3.926 4.120 0.000 0.000 0.286 481 V C -0.711 175.396 176.094 0.021 0.000 0.402 481 V CA 0.927 63.242 62.300 0.025 0.000 0.803 481 V CB -1.591 30.255 31.823 0.038 0.000 0.712 481 V HN 0.831 nan 8.190 nan 0.000 1.421 482 S N 1.356 117.061 115.700 0.008 0.000 2.457 482 S HA 0.764 5.234 4.470 0.000 0.000 0.289 482 S C -0.275 174.316 174.600 -0.015 0.000 1.163 482 S CA 0.284 58.480 58.200 -0.006 0.000 1.078 482 S CB 1.320 64.500 63.200 -0.033 0.000 0.987 482 S HN 0.598 nan 8.310 nan 0.000 0.482 483 N N 2.383 121.068 118.700 -0.026 0.000 2.750 483 N HA 0.246 4.986 4.740 0.000 0.000 0.253 483 N C -0.038 175.433 175.510 -0.065 0.000 1.408 483 N CA -0.484 52.542 53.050 -0.039 0.000 0.780 483 N CB 1.470 39.930 38.487 -0.045 0.000 1.191 483 N HN 0.710 nan 8.380 nan 0.000 0.511 484 T N -0.314 114.209 114.554 -0.051 0.000 3.783 484 T HA 0.387 4.737 4.350 0.000 0.000 0.438 484 T C 1.010 175.615 174.700 -0.159 0.000 1.119 484 T CA 1.312 63.368 62.100 -0.073 0.000 1.099 484 T CB 0.305 69.178 68.868 0.007 0.000 1.429 484 T HN 0.480 nan 8.240 nan 0.000 0.503 485 A N -1.425 121.276 122.820 -0.198 0.000 1.920 485 A HA 0.272 4.592 4.320 0.000 0.000 0.204 485 A C 0.094 177.670 177.584 -0.013 0.000 1.850 485 A CA -0.423 51.471 52.037 -0.237 0.000 1.593 485 A CB -0.294 18.357 19.000 -0.581 0.000 1.470 485 A HN 0.625 nan 8.150 nan 0.000 0.377 486 F N 1.320 121.147 119.950 -0.206 0.000 2.420 486 F HA 0.570 5.097 4.527 0.000 0.000 0.352 486 F C 0.190 175.946 175.800 -0.073 0.000 1.108 486 F CA -0.495 57.317 58.000 -0.313 0.000 1.162 486 F CB 0.975 39.395 39.000 -0.966 0.000 1.118 486 F HN 0.240 nan 8.300 nan 0.000 0.510 487 I N 0.336 121.021 120.570 0.191 0.000 2.878 487 I HA 0.192 4.362 4.170 0.000 0.000 0.286 487 I C -0.180 176.020 176.117 0.137 0.000 1.593 487 I CA -0.269 61.135 61.300 0.173 0.000 0.806 487 I CB 0.571 38.560 38.000 -0.019 0.000 1.811 487 I HN 0.416 nan 8.210 nan 0.000 0.593 488 T N 0.703 115.413 114.554 0.260 0.000 2.900 488 T HA 0.470 4.820 4.350 0.000 0.000 0.326 488 T C 0.298 175.281 174.700 0.473 0.000 1.145 488 T CA 0.290 62.567 62.100 0.295 0.000 0.963 488 T CB 1.103 70.141 68.868 0.283 0.000 1.512 488 T HN 0.575 nan 8.240 nan 0.000 0.552 489 T N 0.289 115.085 114.554 0.403 0.000 2.833 489 T HA 0.719 5.069 4.350 0.000 0.000 0.297 489 T C -0.521 174.285 174.700 0.177 0.000 1.015 489 T CA 0.162 62.465 62.100 0.338 0.000 0.963 489 T CB 0.173 69.235 68.868 0.322 0.000 0.955 489 T HN 0.904 nan 8.240 nan 0.000 0.449 490 A N 4.004 126.898 122.820 0.124 0.000 5.450 490 A HA 0.861 5.181 4.320 0.000 0.000 0.198 490 A C -0.384 177.229 177.584 0.048 0.000 0.883 490 A CA -0.661 51.426 52.037 0.085 0.000 0.784 490 A CB 0.491 19.557 19.000 0.111 0.000 2.043 490 A HN 0.749 nan 8.150 nan 0.000 0.994 491 T N 0.473 115.059 114.554 0.053 0.000 2.942 491 T HA 0.604 4.954 4.350 0.000 0.000 0.289 491 T C -0.617 174.112 174.700 0.048 0.000 1.044 491 T CA 0.165 62.285 62.100 0.033 0.000 1.023 491 T CB 1.531 70.413 68.868 0.025 0.000 1.123 491 T HN 1.632 nan 8.240 nan 0.000 0.512 492 V N -0.167 119.766 119.914 0.032 0.000 2.383 492 V HA 0.614 4.734 4.120 0.000 0.000 0.264 492 V C -0.446 175.663 176.094 0.024 0.000 1.001 492 V CA -1.010 61.312 62.300 0.038 0.000 0.828 492 V CB 0.384 32.227 31.823 0.034 0.000 1.069 492 V HN 0.717 nan 8.190 nan 0.000 0.451 493 K N 2.518 122.934 120.400 0.028 0.000 2.291 493 K HA 0.524 4.844 4.320 0.000 0.000 0.242 493 K C 0.496 177.108 176.600 0.020 0.000 1.098 493 K CA 0.393 56.691 56.287 0.019 0.000 1.036 493 K CB 0.166 32.677 32.500 0.018 0.000 1.655 493 K HN 0.808 nan 8.250 nan 0.000 0.432 494 E N 1.596 121.805 120.200 0.015 0.000 3.696 494 E HA -0.299 4.051 4.350 0.000 0.000 0.252 494 E C -0.061 176.549 176.600 0.017 0.000 1.209 494 E CA 2.068 58.475 56.400 0.012 0.000 2.005 494 E CB -1.182 28.525 29.700 0.012 0.000 1.760 494 E HN 0.674 nan 8.360 nan 0.000 0.371 495 N N 0.536 119.251 118.700 0.025 0.000 2.171 495 N HA 0.125 4.865 4.740 0.000 0.000 0.212 495 N C -0.670 174.875 175.510 0.058 0.000 1.184 495 N CA 0.176 53.248 53.050 0.036 0.000 0.888 495 N CB 0.556 39.062 38.487 0.033 0.000 1.038 495 N HN 0.176 nan 8.380 nan 0.000 0.517 496 K N 0.629 121.059 120.400 0.050 0.000 2.098 496 K HA 0.375 4.695 4.320 0.000 0.000 0.257 496 K C 0.798 177.441 176.600 0.071 0.000 0.999 496 K CA -0.209 56.111 56.287 0.055 0.000 0.924 496 K CB 1.863 34.386 32.500 0.038 0.000 1.028 496 K HN -0.115 nan 8.250 nan 0.000 0.466 497 L N 1.257 122.528 121.223 0.079 0.000 2.691 497 L HA 0.276 4.616 4.340 0.000 0.000 0.185 497 L C 0.481 177.395 176.870 0.073 0.000 1.081 497 L CA -0.422 54.474 54.840 0.094 0.000 0.865 497 L CB -0.119 42.020 42.059 0.134 0.000 1.370 497 L HN 0.827 nan 8.230 nan 0.000 0.488 498 I N -0.468 120.141 120.570 0.064 0.000 8.585 498 I HA -0.171 3.999 4.170 0.000 0.000 0.126 498 I C -2.760 173.391 176.117 0.056 0.000 1.772 498 I CA -0.774 60.557 61.300 0.050 0.000 2.160 498 I CB -0.758 37.264 38.000 0.036 0.000 3.704 498 I HN 0.003 nan 8.210 nan 0.000 0.205 499 P HA 0.485 nan 4.420 nan 0.000 0.279 499 P C -0.978 176.349 177.300 0.045 0.000 1.276 499 P CA 0.086 63.221 63.100 0.060 0.000 0.801 499 P CB 1.730 33.467 31.700 0.062 0.000 1.127 500 S N -1.328 114.400 115.700 0.047 0.000 2.639 500 S HA 0.167 4.637 4.470 0.000 0.000 0.319 500 S C -0.307 174.317 174.600 0.040 0.000 0.991 500 S CA -0.817 57.403 58.200 0.033 0.000 0.858 500 S CB -0.882 62.330 63.200 0.021 0.000 1.068 500 S HN 0.455 nan 8.310 nan 0.000 0.458 501 N N 0.752 119.474 118.700 0.036 0.000 2.362 501 N HA 0.150 4.890 4.740 0.000 0.000 0.204 501 N C 0.231 175.770 175.510 0.048 0.000 1.166 501 N CA 0.095 53.173 53.050 0.047 0.000 0.831 501 N CB 0.620 39.124 38.487 0.027 0.000 1.008 501 N HN 0.743 nan 8.380 nan 0.000 0.472 502 T N -0.017 114.554 114.554 0.028 0.000 2.743 502 T HA 0.314 4.664 4.350 0.000 0.000 0.292 502 T C -0.422 174.268 174.700 -0.016 0.000 0.972 502 T CA -0.946 61.163 62.100 0.015 0.000 0.967 502 T CB 0.206 69.077 68.868 0.006 0.000 0.926 502 T HN 0.166 nan 8.240 nan 0.000 0.459 503 I N 5.576 126.126 120.570 -0.033 0.000 2.243 503 I HA 0.357 4.527 4.170 0.000 0.000 0.289 503 I C -0.299 175.717 176.117 -0.168 0.000 1.140 503 I CA -0.645 60.567 61.300 -0.147 0.000 1.289 503 I CB -0.418 37.414 38.000 -0.280 0.000 1.498 503 I HN 0.607 nan 8.210 nan 0.000 0.561 504 D N 4.968 125.285 120.400 -0.138 0.000 2.256 504 D HA 0.056 4.696 4.640 0.000 0.000 0.250 504 D C 1.106 177.300 176.300 -0.176 0.000 1.093 504 D CA -0.018 53.908 54.000 -0.123 0.000 0.882 504 D CB 1.425 42.178 40.800 -0.080 0.000 1.185 504 D HN 0.620 nan 8.370 nan 0.000 0.437 505 Q N 0.914 120.617 119.800 -0.162 0.000 2.268 505 Q HA -0.236 4.104 4.340 0.000 0.000 0.213 505 Q C 1.241 177.129 176.000 -0.187 0.000 0.995 505 Q CA 1.694 57.388 55.803 -0.183 0.000 0.901 505 Q CB -0.421 28.248 28.738 -0.115 0.000 0.921 505 Q HN 0.312 nan 8.270 nan 0.000 0.421 506 T N -1.107 113.364 114.554 -0.138 0.000 3.324 506 T HA 0.189 4.539 4.350 0.000 0.000 0.250 506 T C 0.340 174.966 174.700 -0.124 0.000 1.059 506 T CA -0.005 62.026 62.100 -0.117 0.000 0.951 506 T CB 0.023 68.845 68.868 -0.075 0.000 1.030 506 T HN 0.201 nan 8.240 nan 0.000 0.576 507 K N 0.855 121.147 120.400 -0.180 0.000 2.402 507 K HA 0.383 4.703 4.320 0.000 0.000 0.204 507 K C 0.301 176.782 176.600 -0.198 0.000 1.056 507 K CA -0.119 56.079 56.287 -0.149 0.000 1.069 507 K CB 0.508 32.935 32.500 -0.121 0.000 0.888 507 K HN 0.555 nan 8.250 nan 0.000 0.546 508 I N -0.097 120.251 120.570 -0.369 0.000 2.337 508 I HA 0.504 4.674 4.170 0.000 0.000 0.291 508 I C 0.048 176.055 176.117 -0.183 0.000 1.046 508 I CA -0.722 60.222 61.300 -0.593 0.000 1.324 508 I CB 0.990 38.240 38.000 -1.250 0.000 1.409 508 I HN -0.144 nan 8.210 nan 0.000 0.494 509 A N 6.696 129.614 122.820 0.162 0.000 2.344 509 A HA 0.975 5.295 4.320 0.000 0.000 0.307 509 A C -0.458 177.385 177.584 0.431 0.000 1.151 509 A CA -0.595 51.594 52.037 0.255 0.000 0.842 509 A CB 1.634 20.771 19.000 0.229 0.000 1.350 509 A HN 0.841 nan 8.150 nan 0.000 0.459 510 I N -4.093 116.682 120.570 0.341 0.000 3.509 510 I HA 0.867 5.037 4.170 0.000 0.000 0.311 510 I C -1.310 175.070 176.117 0.438 0.000 1.178 510 I CA -1.070 60.452 61.300 0.371 0.000 0.963 510 I CB 1.218 39.384 38.000 0.277 0.000 1.352 510 I HN 0.386 nan 8.210 nan 0.000 0.482 511 F N 1.280 121.293 119.950 0.105 0.000 2.547 511 F HA 0.774 5.301 4.527 0.000 0.000 0.316 511 F C 0.039 175.835 175.800 -0.007 0.000 1.121 511 F CA 0.001 58.031 58.000 0.050 0.000 0.911 511 F CB 1.792 40.797 39.000 0.008 0.000 1.179 511 F HN 0.627 nan 8.300 nan 0.000 0.443 512 Q N 1.610 121.392 119.800 -0.031 0.000 2.694 512 Q HA 0.353 4.693 4.340 0.000 0.000 0.353 512 Q C -2.286 173.672 176.000 -0.071 0.000 0.704 512 Q CA -0.672 55.110 55.803 -0.034 0.000 0.917 512 Q CB 2.919 31.640 28.738 -0.029 0.000 1.208 512 Q HN 0.670 nan 8.270 nan 0.000 0.503 513 D N -0.297 120.045 120.400 -0.098 0.000 2.414 513 D HA 0.203 4.843 4.640 0.000 0.000 0.187 513 D C -0.529 175.493 176.300 -0.463 0.000 1.255 513 D CA -0.363 53.561 54.000 -0.126 0.000 0.825 513 D CB 0.049 40.929 40.800 0.132 0.000 1.912 513 D HN 0.451 nan 8.370 nan 0.000 0.530 514 N N 0.667 119.152 118.700 -0.358 0.000 2.439 514 N HA 0.093 4.833 4.740 0.000 0.000 0.176 514 N C 0.311 175.615 175.510 -0.343 0.000 1.029 514 N CA 0.820 53.648 53.050 -0.371 0.000 0.886 514 N CB -0.020 38.375 38.487 -0.154 0.000 1.057 514 N HN 0.704 nan 8.380 nan 0.000 0.437 515 H N -3.521 115.541 119.070 -0.013 0.000 4.291 515 H HA -0.152 4.405 4.556 0.000 0.000 0.127 515 H C -0.413 174.912 175.328 -0.004 0.000 0.703 515 H CA 0.691 56.734 56.048 -0.008 0.000 1.250 515 H CB -1.090 28.669 29.762 -0.005 0.000 0.705 515 H HN 0.046 nan 8.280 nan 0.000 0.553 516 V N 3.508 123.475 119.914 0.089 0.000 2.260 516 V HA 0.102 4.222 4.120 0.000 0.000 0.263 516 V C 0.987 177.099 176.094 0.029 0.000 1.036 516 V CA 0.355 62.688 62.300 0.055 0.000 0.874 516 V CB 0.402 32.257 31.823 0.053 0.000 1.116 516 V HN 0.657 nan 8.190 nan 0.000 0.454 517 N N 3.830 122.545 118.700 0.025 0.000 2.411 517 N HA -0.418 4.323 4.740 0.000 0.000 0.149 517 N C 1.506 177.015 175.510 -0.001 0.000 0.205 517 N CA 2.755 55.812 53.050 0.012 0.000 1.692 517 N CB -0.910 37.585 38.487 0.013 0.000 1.169 517 N HN 0.635 nan 8.380 nan 0.000 0.436 518 R N 1.823 122.323 120.500 -0.000 0.000 2.162 518 R HA -0.098 4.242 4.340 0.000 0.000 0.153 518 R C 0.788 177.068 176.300 -0.032 0.000 0.733 518 R CA 2.332 58.426 56.100 -0.010 0.000 1.357 518 R CB -0.236 30.065 30.300 0.001 0.000 0.576 518 R HN 0.639 nan 8.270 nan 0.000 0.609 519 D N -2.482 117.889 120.400 -0.049 0.000 2.729 519 D HA 0.053 4.693 4.640 0.000 0.000 0.103 519 D C -1.097 175.097 176.300 -0.177 0.000 1.389 519 D CA 1.138 55.077 54.000 -0.102 0.000 1.457 519 D CB 0.204 40.938 40.800 -0.111 0.000 2.172 519 D HN 0.265 nan 8.370 nan 0.000 0.227 520 V N 1.307 121.046 119.914 -0.291 0.000 5.406 520 V HA -0.190 3.930 4.120 0.000 0.000 0.332 520 V C 0.695 176.381 176.094 -0.680 0.000 0.696 520 V CA 1.208 63.103 62.300 -0.674 0.000 1.250 520 V CB -1.727 29.799 31.823 -0.496 0.000 1.476 520 V HN 0.577 nan 8.190 nan 0.000 0.451 521 Q N 2.758 122.188 119.800 -0.617 0.000 2.304 521 Q HA 0.136 4.476 4.340 0.000 0.000 0.199 521 Q C 1.218 177.048 176.000 -0.283 0.000 0.997 521 Q CA 1.226 56.819 55.803 -0.350 0.000 0.846 521 Q CB -0.844 27.765 28.738 -0.216 0.000 1.004 521 Q HN 1.603 nan 8.270 nan 0.000 0.555 522 T N 0.837 115.253 114.554 -0.230 0.000 4.881 522 T HA -0.167 4.183 4.350 0.000 0.000 0.318 522 T C 0.536 175.257 174.700 0.035 0.000 1.054 522 T CA 0.887 62.955 62.100 -0.054 0.000 2.138 522 T CB -1.919 67.006 68.868 0.095 0.000 2.039 522 T HN 0.534 nan 8.240 nan 0.000 0.926 523 S N 1.090 116.786 115.700 -0.006 0.000 2.534 523 S HA 0.200 4.670 4.470 0.000 0.000 0.241 523 S C 1.427 176.048 174.600 0.036 0.000 1.334 523 S CA -0.155 58.056 58.200 0.018 0.000 0.978 523 S CB -0.119 63.069 63.200 -0.021 0.000 0.925 523 S HN 0.519 nan 8.310 nan 0.000 0.522 524 D N 1.494 121.912 120.400 0.030 0.000 3.344 524 D HA -0.291 4.349 4.640 0.000 0.000 0.544 524 D C 0.692 177.031 176.300 0.066 0.000 0.547 524 D CA 2.406 56.435 54.000 0.047 0.000 1.335 524 D CB -1.387 39.451 40.800 0.063 0.000 0.245 524 D HN 0.970 nan 8.370 nan 0.000 0.211 525 D N -2.248 118.208 120.400 0.093 0.000 3.555 525 D HA -0.297 4.343 4.640 0.000 0.000 0.255 525 D C -0.616 175.742 176.300 0.098 0.000 1.942 525 D CA 2.005 56.072 54.000 0.111 0.000 1.112 525 D CB -1.437 39.419 40.800 0.094 0.000 0.856 525 D HN 0.557 nan 8.370 nan 0.000 1.027 526 T N -0.033 114.579 114.554 0.096 0.000 1.861 526 T HA 0.079 4.429 4.350 0.000 0.000 0.607 526 T C 0.022 174.761 174.700 0.065 0.000 0.930 526 T CA 1.262 63.408 62.100 0.077 0.000 3.333 526 T CB -1.446 67.453 68.868 0.052 0.000 1.727 526 T HN 0.482 nan 8.240 nan 0.000 0.336 527 L N 0.388 121.658 121.223 0.077 0.000 2.301 527 L HA 0.975 5.315 4.340 0.000 0.000 0.249 527 L C -0.149 176.748 176.870 0.045 0.000 1.069 527 L CA -1.547 53.326 54.840 0.054 0.000 0.865 527 L CB 2.080 44.178 42.059 0.065 0.000 1.467 527 L HN 0.531 nan 8.230 nan 0.000 0.419 528 A N 0.776 123.610 122.820 0.023 0.000 2.512 528 A HA 0.569 4.889 4.320 0.000 0.000 0.294 528 A C -0.923 176.677 177.584 0.026 0.000 1.054 528 A CA -0.568 51.469 52.037 -0.000 0.000 0.756 528 A CB 0.738 19.684 19.000 -0.090 0.000 1.293 528 A HN 0.597 nan 8.150 nan 0.000 0.395 529 L N 2.002 123.291 121.223 0.109 0.000 2.558 529 L HA -0.048 4.292 4.340 0.000 0.000 0.301 529 L C 0.936 177.989 176.870 0.304 0.000 1.267 529 L CA 0.661 55.672 54.840 0.285 0.000 0.854 529 L CB 0.070 42.428 42.059 0.499 0.000 1.103 529 L HN 0.871 nan 8.230 nan 0.000 0.522 530 L N 0.271 121.748 121.223 0.423 0.000 2.230 530 L HA 0.327 4.667 4.340 0.000 0.000 0.164 530 L C 0.774 177.945 176.870 0.502 0.000 1.237 530 L CA 0.554 55.646 54.840 0.421 0.000 1.030 530 L CB 0.330 42.516 42.059 0.212 0.000 2.103 530 L HN 0.770 nan 8.230 nan 0.000 0.490 531 G N -1.831 107.164 108.800 0.324 0.000 3.183 531 G HA2 0.467 4.427 3.960 0.000 0.000 0.247 531 G HA3 0.467 4.427 3.960 0.000 0.000 0.247 531 G C -2.278 172.705 174.900 0.138 0.000 1.211 531 G CA -0.116 45.111 45.100 0.212 0.000 0.835 531 G HN -0.099 nan 8.290 nan 0.000 0.604 532 Y N -1.111 119.120 120.300 -0.114 0.000 2.689 532 Y HA 0.593 5.143 4.550 0.000 0.000 0.333 532 Y C -0.574 175.238 175.900 -0.146 0.000 1.190 532 Y CA -0.844 57.098 58.100 -0.264 0.000 1.063 532 Y CB 1.521 39.737 38.460 -0.407 0.000 1.294 532 Y HN 0.574 nan 8.280 nan 0.000 0.466 533 T N 2.262 116.354 114.554 -0.770 0.000 2.743 533 T HA 0.465 4.815 4.350 0.000 0.000 0.293 533 T C 0.200 174.631 174.700 -0.449 0.000 0.945 533 T CA -0.089 61.679 62.100 -0.553 0.000 1.030 533 T CB 0.530 69.009 68.868 -0.649 0.000 0.912 533 T HN 0.979 nan 8.240 nan 0.000 0.483 534 G N 3.127 111.802 108.800 -0.209 0.000 2.093 534 G HA2 0.292 4.252 3.960 0.000 0.000 0.250 534 G HA3 0.292 4.252 3.960 0.000 0.000 0.250 534 G C 0.055 174.837 174.900 -0.197 0.000 1.056 534 G CA 0.113 45.124 45.100 -0.148 0.000 0.916 534 G HN 0.925 nan 8.290 nan 0.000 0.421 535 I N 0.082 120.580 120.570 -0.120 0.000 3.567 535 I HA 0.956 5.126 4.170 0.000 0.000 0.302 535 I C 0.725 176.787 176.117 -0.091 0.000 1.158 535 I CA -1.178 60.053 61.300 -0.115 0.000 1.027 535 I CB 1.165 39.133 38.000 -0.054 0.000 1.363 535 I HN 0.580 nan 8.210 nan 0.000 0.480 536 G N -0.122 108.628 108.800 -0.083 0.000 2.535 536 G HA2 0.287 4.247 3.960 0.000 0.000 0.282 536 G HA3 0.287 4.247 3.960 0.000 0.000 0.282 536 G C 0.047 174.923 174.900 -0.040 0.000 1.350 536 G CA -0.360 44.692 45.100 -0.081 0.000 1.039 536 G HN 0.801 nan 8.290 nan 0.000 0.509 537 E N 0.010 120.189 120.200 -0.035 0.000 2.501 537 E HA -0.061 4.289 4.350 0.000 0.000 0.203 537 E C 0.312 176.919 176.600 0.012 0.000 1.072 537 E CA 0.364 56.757 56.400 -0.011 0.000 0.885 537 E CB 0.138 29.832 29.700 -0.010 0.000 0.813 537 E HN 0.274 nan 8.360 nan 0.000 0.556 538 E N 1.059 121.266 120.200 0.012 0.000 1.795 538 E HA 0.101 4.451 4.350 0.000 0.000 0.261 538 E C -0.370 176.261 176.600 0.052 0.000 1.238 538 E CA -0.057 56.361 56.400 0.029 0.000 1.001 538 E CB -0.005 29.707 29.700 0.020 0.000 1.065 538 E HN 0.172 nan 8.360 nan 0.000 0.418 539 A N 3.898 126.774 122.820 0.093 0.000 2.565 539 A HA 0.079 4.399 4.320 0.000 0.000 0.237 539 A C 0.840 178.515 177.584 0.152 0.000 1.053 539 A CA -0.245 51.873 52.037 0.135 0.000 0.755 539 A CB -0.282 18.892 19.000 0.290 0.000 0.980 539 A HN 0.664 nan 8.150 nan 0.000 0.506 540 I N 0.726 121.307 120.570 0.019 0.000 2.421 540 I HA 0.568 4.738 4.170 0.000 0.000 0.291 540 I C 0.874 177.062 176.117 0.118 0.000 1.089 540 I CA 0.588 61.876 61.300 -0.020 0.000 1.354 540 I CB 0.083 37.918 38.000 -0.276 0.000 1.413 540 I HN 0.851 nan 8.210 nan 0.000 0.513 541 G N 3.773 112.602 108.800 0.049 0.000 2.870 541 G HA2 -0.018 3.942 3.960 0.000 0.000 0.216 541 G HA3 -0.018 3.942 3.960 0.000 0.000 0.216 541 G C 0.488 175.214 174.900 -0.290 0.000 0.973 541 G CA 0.075 45.164 45.100 -0.019 0.000 0.807 541 G HN 0.898 nan 8.290 nan 0.000 0.573 542 A N -0.257 122.391 122.820 -0.288 0.000 2.343 542 A HA 0.469 4.789 4.320 0.000 0.000 0.223 542 A C 0.426 178.072 177.584 0.102 0.000 1.214 542 A CA 0.443 52.338 52.037 -0.236 0.000 0.900 542 A CB 0.312 19.063 19.000 -0.415 0.000 0.942 542 A HN 0.180 nan 8.150 nan 0.000 0.507 543 D N 0.427 120.880 120.400 0.088 0.000 2.467 543 D HA 0.192 4.832 4.640 0.000 0.000 0.220 543 D C 0.984 177.266 176.300 -0.030 0.000 1.103 543 D CA -0.206 53.829 54.000 0.058 0.000 0.886 543 D CB 0.764 41.579 40.800 0.024 0.000 1.025 543 D HN 0.285 nan 8.370 nan 0.000 0.514 544 R N 2.299 122.756 120.500 -0.072 0.000 2.249 544 R HA -0.151 4.189 4.340 0.000 0.000 0.230 544 R C 1.098 177.262 176.300 -0.228 0.000 1.121 544 R CA 1.407 57.253 56.100 -0.424 0.000 0.997 544 R CB 0.355 30.552 30.300 -0.172 0.000 0.867 544 R HN 0.451 nan 8.270 nan 0.000 0.465 545 E N -0.154 119.993 120.200 -0.090 0.000 2.122 545 E HA -0.088 4.262 4.350 0.000 0.000 0.190 545 E C 0.657 177.243 176.600 -0.024 0.000 0.977 545 E CA 0.795 57.169 56.400 -0.043 0.000 0.820 545 E CB 0.260 29.954 29.700 -0.010 0.000 0.770 545 E HN 0.194 nan 8.360 nan 0.000 0.462 546 K N 1.080 121.471 120.400 -0.014 0.000 2.911 546 K HA 0.148 4.468 4.320 0.000 0.000 0.239 546 K C -0.962 175.657 176.600 0.032 0.000 1.090 546 K CA -0.079 56.227 56.287 0.032 0.000 1.225 546 K CB 0.657 33.192 32.500 0.059 0.000 1.087 546 K HN -0.112 nan 8.250 nan 0.000 0.464 547 V N 1.406 121.307 119.914 -0.022 0.000 2.443 547 V HA 0.156 4.276 4.120 0.000 0.000 0.293 547 V C -0.017 176.100 176.094 0.038 0.000 1.021 547 V CA -1.087 61.204 62.300 -0.016 0.000 0.848 547 V CB 1.833 33.545 31.823 -0.185 0.000 0.998 547 V HN -0.084 nan 8.190 nan 0.000 0.424 548 V N 6.869 126.865 119.914 0.136 0.000 2.572 548 V HA 0.327 4.447 4.120 0.000 0.000 0.291 548 V C 0.490 176.726 176.094 0.236 0.000 1.039 548 V CA 0.013 62.430 62.300 0.196 0.000 1.055 548 V CB 0.616 32.616 31.823 0.296 0.000 0.969 548 V HN 0.868 nan 8.190 nan 0.000 0.482 549 R N 4.400 125.007 120.500 0.178 0.000 2.854 549 R HA 0.519 4.859 4.340 0.000 0.000 0.271 549 R C 0.678 177.101 176.300 0.205 0.000 0.996 549 R CA -0.919 55.283 56.100 0.170 0.000 0.961 549 R CB 1.831 32.173 30.300 0.071 0.000 1.182 549 R HN 0.562 nan 8.270 nan 0.000 0.479 550 I N 0.137 120.837 120.570 0.218 0.000 3.427 550 I HA 0.160 4.330 4.170 0.000 0.000 0.288 550 I C 0.412 176.583 176.117 0.091 0.000 1.249 550 I CA 1.598 63.010 61.300 0.187 0.000 1.421 550 I CB 0.253 38.393 38.000 0.233 0.000 1.086 550 I HN 0.980 nan 8.210 nan 0.000 0.448 551 G N 0.386 109.227 108.800 0.069 0.000 4.197 551 G HA2 0.061 4.021 3.960 0.000 0.000 0.197 551 G HA3 0.061 4.021 3.960 0.000 0.000 0.197 551 G C -0.330 174.589 174.900 0.031 0.000 1.033 551 G CA 0.166 45.291 45.100 0.041 0.000 0.876 551 G HN 0.066 nan 8.290 nan 0.000 0.314 552 V N 1.559 121.490 119.914 0.028 0.000 2.914 552 V HA 0.817 4.937 4.120 0.000 0.000 0.314 552 V C -0.853 175.249 176.094 0.013 0.000 1.084 552 V CA -0.755 61.556 62.300 0.018 0.000 0.963 552 V CB 2.119 33.950 31.823 0.012 0.000 1.025 552 V HN 0.489 nan 8.190 nan 0.000 0.432 553 L N 5.551 126.783 121.223 0.014 0.000 2.346 553 L HA 0.763 5.103 4.340 0.000 0.000 0.274 553 L C -2.387 174.502 176.870 0.031 0.000 1.007 553 L CA -1.601 53.250 54.840 0.019 0.000 0.818 553 L CB 2.234 44.302 42.059 0.014 0.000 1.284 553 L HN 0.492 nan 8.230 nan 0.000 0.424 554 P HA 0.150 nan 4.420 nan 0.000 0.273 554 P C -1.306 176.030 177.300 0.060 0.000 1.428 554 P CA -0.282 62.858 63.100 0.066 0.000 0.995 554 P CB 0.109 31.837 31.700 0.048 0.000 1.286 555 E N 2.822 122.977 120.200 -0.075 0.000 2.259 555 E HA 0.577 4.927 4.350 0.000 0.000 0.281 555 E C -0.883 175.431 176.600 -0.477 0.000 1.027 555 E CA -1.163 55.109 56.400 -0.214 0.000 0.838 555 E CB 1.137 30.762 29.700 -0.126 0.000 1.066 555 E HN 0.348 nan 8.360 nan 0.000 0.401 556 A N 2.987 125.378 122.820 -0.715 0.000 2.497 556 A HA 0.619 4.939 4.320 0.000 0.000 0.280 556 A C -0.399 176.753 177.584 -0.720 0.000 1.065 556 A CA -0.238 51.366 52.037 -0.721 0.000 0.781 556 A CB 1.458 19.747 19.000 -1.186 0.000 1.289 556 A HN 0.742 nan 8.150 nan 0.000 0.415 557 G N 0.534 109.032 108.800 -0.502 0.000 2.568 557 G HA2 0.753 4.713 3.960 0.000 0.000 0.313 557 G HA3 0.753 4.713 3.960 0.000 0.000 0.313 557 G C 0.293 175.205 174.900 0.019 0.000 1.227 557 G CA -0.123 44.786 45.100 -0.317 0.000 0.979 557 G HN 1.939 nan 8.290 nan 0.000 0.486 558 A N 0.637 123.500 122.820 0.072 0.000 2.572 558 A HA 0.180 4.501 4.320 0.000 0.000 0.256 558 A C 0.776 178.375 177.584 0.024 0.000 1.041 558 A CA 0.423 52.486 52.037 0.043 0.000 0.790 558 A CB -0.211 18.723 19.000 -0.111 0.000 0.947 558 A HN 0.513 nan 8.150 nan 0.000 0.518 559 R N 3.055 123.579 120.500 0.040 0.000 2.565 559 R HA 0.423 4.763 4.340 0.000 0.000 0.286 559 R C 1.199 177.421 176.300 -0.130 0.000 1.256 559 R CA 0.785 56.823 56.100 -0.103 0.000 1.238 559 R CB 0.237 30.373 30.300 -0.273 0.000 1.153 559 R HN 1.403 nan 8.270 nan 0.000 0.553 560 G N 1.721 110.457 108.800 -0.107 0.000 2.552 560 G HA2 -0.344 3.616 3.960 0.000 0.000 0.267 560 G HA3 -0.344 3.616 3.960 0.000 0.000 0.267 560 G C 0.618 175.470 174.900 -0.079 0.000 1.174 560 G CA -0.160 44.882 45.100 -0.096 0.000 0.955 560 G HN 0.590 nan 8.290 nan 0.000 0.546 561 G N 0.734 109.508 108.800 -0.045 0.000 3.088 561 G HA2 0.369 4.329 3.960 0.000 0.000 0.217 561 G HA3 0.369 4.329 3.960 0.000 0.000 0.217 561 G C 0.485 175.437 174.900 0.086 0.000 1.159 561 G CA 0.699 45.801 45.100 0.003 0.000 0.760 561 G HN 0.604 nan 8.290 nan 0.000 0.550 562 N N 0.525 119.272 118.700 0.078 0.000 2.495 562 N HA 0.422 5.162 4.740 0.000 0.000 0.280 562 N C -1.173 174.500 175.510 0.272 0.000 1.168 562 N CA -0.063 53.132 53.050 0.241 0.000 0.978 562 N CB 1.136 39.744 38.487 0.202 0.000 1.191 562 N HN 0.133 nan 8.380 nan 0.000 0.497 563 H N -0.791 118.405 119.070 0.210 0.000 2.690 563 H HA 0.457 5.013 4.556 0.000 0.000 0.368 563 H C -2.287 173.055 175.328 0.025 0.000 1.150 563 H CA -1.582 54.546 56.048 0.134 0.000 1.174 563 H CB 1.415 31.198 29.762 0.035 0.000 1.684 563 H HN 0.294 nan 8.280 nan 0.000 0.538 564 P HA 0.166 nan 4.420 nan 0.000 0.275 564 P C -0.253 176.787 177.300 -0.433 0.000 1.228 564 P CA -0.237 62.422 63.100 -0.736 0.000 0.786 564 P CB 0.790 32.112 31.700 -0.631 0.000 0.927 565 I N -1.522 118.725 120.570 -0.539 0.000 3.436 565 I HA 0.698 4.868 4.170 0.000 0.000 0.300 565 I C -1.087 174.773 176.117 -0.428 0.000 1.131 565 I CA -1.122 59.972 61.300 -0.342 0.000 1.001 565 I CB 1.858 39.664 38.000 -0.325 0.000 1.305 565 I HN 0.139 nan 8.210 nan 0.000 0.494 566 F N -0.384 119.404 119.950 -0.270 0.000 2.662 566 F HA 0.500 5.027 4.527 0.000 0.000 0.312 566 F C -1.444 174.255 175.800 -0.168 0.000 1.113 566 F CA -0.533 57.361 58.000 -0.177 0.000 0.951 566 F CB 2.429 41.544 39.000 0.192 0.000 1.344 566 F HN 0.295 nan 8.300 nan 0.000 0.462 567 Y N 2.242 122.768 120.300 0.376 0.000 2.587 567 Y HA 0.383 4.933 4.550 0.000 0.000 0.328 567 Y C 0.253 176.200 175.900 0.077 0.000 0.980 567 Y CA -0.968 57.245 58.100 0.188 0.000 1.272 567 Y CB 1.199 39.725 38.460 0.110 0.000 1.094 567 Y HN 0.377 nan 8.280 nan 0.000 0.503 568 R N 2.957 123.551 120.500 0.156 0.000 2.756 568 R HA 0.047 4.387 4.340 0.000 0.000 0.264 568 R C -0.722 175.517 176.300 -0.102 0.000 1.026 568 R CA 0.525 56.534 56.100 -0.152 0.000 1.121 568 R CB 0.389 30.633 30.300 -0.094 0.000 0.999 568 R HN 0.870 nan 8.270 nan 0.000 0.449 569 N N 0.873 119.443 118.700 -0.217 0.000 2.516 569 N HA 0.079 4.819 4.740 0.000 0.000 0.268 569 N C -1.604 173.774 175.510 -0.221 0.000 1.096 569 N CA -0.497 52.457 53.050 -0.160 0.000 0.954 569 N CB 1.717 40.145 38.487 -0.098 0.000 1.676 569 N HN 0.499 nan 8.380 nan 0.000 0.490 570 S N 2.059 117.648 115.700 -0.185 0.000 2.593 570 S HA 0.433 4.903 4.470 0.000 0.000 0.269 570 S C -0.415 174.051 174.600 -0.223 0.000 1.334 570 S CA 0.059 58.149 58.200 -0.183 0.000 1.015 570 S CB 0.558 63.676 63.200 -0.136 0.000 0.912 570 S HN 0.480 nan 8.310 nan 0.000 0.541 571 M N 2.502 121.972 119.600 -0.217 0.000 2.234 571 M HA 0.215 4.695 4.480 0.000 0.000 0.267 571 M C -1.427 174.811 176.300 -0.103 0.000 1.022 571 M CA -0.363 54.770 55.300 -0.277 0.000 0.993 571 M CB 1.705 33.970 32.600 -0.558 0.000 1.836 571 M HN 0.579 nan 8.290 nan 0.000 0.479 572 K N 3.717 124.137 120.400 0.033 0.000 2.440 572 K HA 0.104 4.424 4.320 0.000 0.000 0.275 572 K C -0.159 176.486 176.600 0.075 0.000 1.082 572 K CA 0.310 56.650 56.287 0.087 0.000 1.135 572 K CB 0.355 32.960 32.500 0.175 0.000 0.864 572 K HN 0.621 nan 8.250 nan 0.000 0.479 573 L N 1.100 122.362 121.223 0.065 0.000 2.453 573 L HA 0.117 4.457 4.340 0.000 0.000 0.261 573 L C 1.279 178.227 176.870 0.131 0.000 1.179 573 L CA 0.059 54.950 54.840 0.085 0.000 0.813 573 L CB 0.879 42.980 42.059 0.071 0.000 1.110 573 L HN 0.775 nan 8.230 nan 0.000 0.466 574 G N 0.560 109.456 108.800 0.161 0.000 3.882 574 G HA2 0.155 4.115 3.960 0.000 0.000 0.283 574 G HA3 0.155 4.115 3.960 0.000 0.000 0.283 574 G C -0.121 175.025 174.900 0.410 0.000 1.283 574 G CA 0.190 45.437 45.100 0.244 0.000 1.402 574 G HN 0.833 nan 8.290 nan 0.000 0.618 575 Y N -1.430 118.958 120.300 0.146 0.000 2.851 575 Y HA -0.064 4.486 4.550 0.000 0.000 0.240 575 Y C 0.594 176.544 175.900 0.083 0.000 0.956 575 Y CA -0.299 57.895 58.100 0.157 0.000 1.410 575 Y CB 0.403 38.987 38.460 0.206 0.000 1.348 575 Y HN -0.068 nan 8.280 nan 0.000 0.453 576 V N 5.419 125.545 119.914 0.353 0.000 2.159 576 V HA 0.048 4.168 4.120 0.000 0.000 0.296 576 V C 0.903 177.071 176.094 0.122 0.000 1.762 576 V CA 1.120 63.536 62.300 0.193 0.000 1.708 576 V CB -2.025 29.845 31.823 0.079 0.000 1.484 576 V HN 0.534 nan 8.190 nan 0.000 0.512 577 I N -0.664 119.978 120.570 0.120 0.000 4.895 577 I HA -0.378 3.792 4.170 0.000 0.000 0.039 577 I C 0.786 176.943 176.117 0.067 0.000 0.635 577 I CA 2.013 63.358 61.300 0.075 0.000 0.271 577 I CB -0.952 37.081 38.000 0.054 0.000 0.354 577 I HN 0.621 nan 8.210 nan 0.000 0.150 578 K N 2.363 122.791 120.400 0.047 0.000 2.427 578 K HA 0.782 5.102 4.320 0.000 0.000 0.252 578 K C -0.835 175.771 176.600 0.011 0.000 0.931 578 K CA 0.121 56.427 56.287 0.032 0.000 0.793 578 K CB 3.063 35.576 32.500 0.021 0.000 1.211 578 K HN 0.764 nan 8.250 nan 0.000 0.426 579 S N 1.132 116.827 115.700 -0.007 0.000 2.636 579 S HA 0.427 4.897 4.470 0.000 0.000 0.266 579 S C -0.759 173.807 174.600 -0.056 0.000 1.116 579 S CA -0.648 57.535 58.200 -0.028 0.000 0.893 579 S CB -0.708 62.485 63.200 -0.010 0.000 1.171 579 S HN 1.737 nan 8.310 nan 0.000 0.482 580 I N -2.031 118.503 120.570 -0.060 0.000 8.627 580 I HA -0.082 4.088 4.170 0.000 0.000 0.126 580 I C -1.027 175.002 176.117 -0.148 0.000 1.766 580 I CA 0.235 61.487 61.300 -0.081 0.000 2.166 580 I CB -1.323 36.645 38.000 -0.053 0.000 3.699 580 I HN 0.771 nan 8.210 nan 0.000 0.207 581 D N 4.407 124.707 120.400 -0.166 0.000 2.388 581 D HA 0.794 5.434 4.640 0.000 0.000 0.254 581 D C -0.517 175.583 176.300 -0.334 0.000 1.111 581 D CA -0.278 53.556 54.000 -0.276 0.000 0.993 581 D CB 1.945 42.542 40.800 -0.339 0.000 1.118 581 D HN 0.530 nan 8.370 nan 0.000 0.502 582 V N 1.393 121.033 119.914 -0.457 0.000 2.752 582 V HA 0.217 4.337 4.120 0.000 0.000 0.302 582 V C -0.821 175.025 176.094 -0.413 0.000 1.133 582 V CA -0.852 61.232 62.300 -0.359 0.000 0.919 582 V CB 1.367 32.988 31.823 -0.338 0.000 1.026 582 V HN 0.332 nan 8.190 nan 0.000 0.429 583 F N 2.472 122.342 119.950 -0.134 0.000 2.371 583 F HA 0.625 5.152 4.527 0.000 0.000 0.329 583 F C 0.558 176.452 175.800 0.156 0.000 1.107 583 F CA -0.329 57.624 58.000 -0.078 0.000 1.137 583 F CB 0.978 39.592 39.000 -0.643 0.000 1.214 583 F HN 0.466 nan 8.300 nan 0.000 0.536 584 N N -1.240 117.779 118.700 0.532 0.000 2.260 584 N HA 0.241 4.981 4.740 0.000 0.000 0.293 584 N C 0.169 175.919 175.510 0.399 0.000 1.058 584 N CA -0.450 52.861 53.050 0.434 0.000 0.824 584 N CB 1.961 40.642 38.487 0.325 0.000 1.551 584 N HN 0.455 nan 8.380 nan 0.000 0.475 585 S N 1.510 117.325 115.700 0.192 0.000 2.368 585 S HA -0.106 4.364 4.470 0.000 0.000 0.224 585 S C 0.208 174.655 174.600 -0.256 0.000 1.029 585 S CA 0.825 58.939 58.200 -0.144 0.000 0.988 585 S CB -0.363 62.768 63.200 -0.116 0.000 0.838 585 S HN 0.722 nan 8.310 nan 0.000 0.462 586 Q N -0.250 119.490 119.800 -0.101 0.000 2.435 586 Q HA 0.634 4.974 4.340 0.000 0.000 0.282 586 Q C -1.183 174.816 176.000 -0.000 0.000 1.020 586 Q CA -0.964 54.807 55.803 -0.053 0.000 0.820 586 Q CB 1.227 29.731 28.738 -0.391 0.000 1.436 586 Q HN 0.279 nan 8.270 nan 0.000 0.395 587 I N 1.769 122.269 120.570 -0.116 0.000 2.872 587 I HA -0.134 4.036 4.170 0.000 0.000 0.291 587 I C 1.202 177.224 176.117 -0.159 0.000 1.216 587 I CA -0.355 60.769 61.300 -0.293 0.000 1.424 587 I CB 0.106 37.748 38.000 -0.597 0.000 1.351 587 I HN 0.701 nan 8.210 nan 0.000 0.592 588 L N 4.854 126.040 121.223 -0.060 0.000 1.943 588 L HA -0.250 4.090 4.340 0.000 0.000 0.215 588 L C 2.271 179.136 176.870 -0.009 0.000 1.074 588 L CA 2.146 56.991 54.840 0.009 0.000 0.759 588 L CB -0.919 41.223 42.059 0.138 0.000 0.888 588 L HN 0.562 nan 8.230 nan 0.000 0.433 589 H N -0.717 118.300 119.070 -0.088 0.000 2.562 589 H HA -0.084 4.472 4.556 0.000 0.000 0.289 589 H C 1.574 176.824 175.328 -0.132 0.000 1.059 589 H CA 1.217 57.219 56.048 -0.076 0.000 1.203 589 H CB -0.414 29.346 29.762 -0.003 0.000 1.346 589 H HN 0.498 nan 8.280 nan 0.000 0.611 590 T N -1.616 112.865 114.554 -0.123 0.000 3.207 590 T HA -0.094 4.256 4.350 0.000 0.000 0.229 590 T C 2.297 176.843 174.700 -0.256 0.000 0.999 590 T CA 1.026 62.999 62.100 -0.213 0.000 1.386 590 T CB -0.430 68.274 68.868 -0.273 0.000 1.130 590 T HN 0.461 nan 8.240 nan 0.000 0.435 591 S N 2.468 118.000 115.700 -0.281 0.000 2.399 591 S HA -0.344 4.126 4.470 0.000 0.000 0.235 591 S C 1.987 176.307 174.600 -0.466 0.000 1.063 591 S CA 1.818 59.805 58.200 -0.355 0.000 1.070 591 S CB -0.753 62.272 63.200 -0.293 0.000 0.904 591 S HN 0.403 nan 8.310 nan 0.000 0.456 592 R N 1.118 121.393 120.500 -0.375 0.000 2.134 592 R HA -0.256 4.084 4.340 0.000 0.000 0.248 592 R C 2.562 178.679 176.300 -0.305 0.000 1.143 592 R CA 2.156 58.036 56.100 -0.366 0.000 0.957 592 R CB -0.380 29.719 30.300 -0.335 0.000 0.867 592 R HN 0.434 nan 8.270 nan 0.000 0.441 593 Q N 0.238 119.906 119.800 -0.220 0.000 1.993 593 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 593 Q C 2.177 178.158 176.000 -0.031 0.000 0.984 593 Q CA 1.870 57.623 55.803 -0.084 0.000 0.837 593 Q CB -0.255 28.464 28.738 -0.032 0.000 0.902 593 Q HN 0.375 nan 8.270 nan 0.000 0.423 594 L N -0.328 120.805 121.223 -0.150 0.000 2.042 594 L HA -0.229 4.111 4.340 0.000 0.000 0.210 594 L C 2.434 179.225 176.870 -0.132 0.000 1.076 594 L CA 1.460 56.220 54.840 -0.133 0.000 0.749 594 L CB -0.853 41.044 42.059 -0.271 0.000 0.893 594 L HN 0.219 nan 8.230 nan 0.000 0.432 595 S N -0.496 114.960 115.700 -0.407 0.000 2.420 595 S HA -0.135 4.335 4.470 0.000 0.000 0.237 595 S C 1.619 176.105 174.600 -0.190 0.000 1.023 595 S CA 1.314 59.172 58.200 -0.570 0.000 0.991 595 S CB 0.000 62.499 63.200 -1.169 0.000 0.792 595 S HN 0.323 nan 8.310 nan 0.000 0.488 596 L N -0.358 120.775 121.223 -0.150 0.000 3.076 596 L HA 0.322 4.662 4.340 0.000 0.000 0.173 596 L C 0.465 177.285 176.870 -0.083 0.000 1.343 596 L CA -0.385 54.401 54.840 -0.090 0.000 0.894 596 L CB -0.957 41.042 42.059 -0.099 0.000 1.372 596 L HN 0.077 nan 8.230 nan 0.000 0.565 597 N N 1.766 120.393 118.700 -0.122 0.000 2.374 597 N HA -0.032 4.708 4.740 0.000 0.000 0.241 597 N C -0.409 174.882 175.510 -0.366 0.000 1.262 597 N CA 0.409 53.293 53.050 -0.276 0.000 0.880 597 N CB -0.060 38.178 38.487 -0.415 0.000 1.105 597 N HN 0.214 nan 8.380 nan 0.000 0.438 598 N N 0.817 119.283 118.700 -0.391 0.000 2.422 598 N HA 0.215 4.955 4.740 0.000 0.000 0.266 598 N C -1.333 173.945 175.510 -0.386 0.000 1.007 598 N CA -0.398 52.513 53.050 -0.233 0.000 0.941 598 N CB 0.506 38.939 38.487 -0.091 0.000 1.115 598 N HN 0.355 nan 8.380 nan 0.000 0.492 599 Y N 1.834 122.183 120.300 0.081 0.000 2.549 599 Y HA 0.385 4.935 4.550 0.000 0.000 0.339 599 Y C 0.009 176.060 175.900 0.250 0.000 1.053 599 Y CA -1.072 57.114 58.100 0.142 0.000 1.105 599 Y CB 1.280 39.807 38.460 0.112 0.000 1.258 599 Y HN 0.278 nan 8.280 nan 0.000 0.478 600 L N 4.815 126.277 121.223 0.398 0.000 2.282 600 L HA 0.715 5.055 4.340 0.000 0.000 0.288 600 L C -1.543 175.494 176.870 0.278 0.000 1.033 600 L CA -0.595 54.422 54.840 0.295 0.000 0.807 600 L CB 0.756 42.947 42.059 0.220 0.000 1.209 600 L HN 0.850 nan 8.230 nan 0.000 0.423 601 L N 3.819 125.154 121.223 0.187 0.000 2.735 601 L HA 0.321 4.661 4.340 0.000 0.000 0.258 601 L C -0.909 175.958 176.870 -0.004 0.000 0.920 601 L CA -0.120 54.766 54.840 0.078 0.000 0.958 601 L CB 2.121 44.179 42.059 -0.001 0.000 1.499 601 L HN 0.664 nan 8.230 nan 0.000 0.441 602 S N 5.225 120.921 115.700 -0.005 0.000 2.528 602 S HA 0.316 4.786 4.470 0.000 0.000 0.277 602 S C -2.007 172.564 174.600 -0.049 0.000 1.297 602 S CA -0.921 57.260 58.200 -0.032 0.000 1.052 602 S CB 0.887 64.062 63.200 -0.042 0.000 0.917 602 S HN 0.625 nan 8.310 nan 0.000 0.492 603 P HA 0.003 nan 4.420 nan 0.000 0.274 603 P C -0.657 176.545 177.300 -0.163 0.000 1.370 603 P CA 0.557 63.643 63.100 -0.022 0.000 0.760 603 P CB -0.325 31.375 31.700 -0.001 0.000 1.308 604 D N -2.173 118.103 120.400 -0.206 0.000 2.500 604 D HA 0.104 4.744 4.640 0.000 0.000 0.217 604 D C -0.251 175.839 176.300 -0.349 0.000 1.159 604 D CA -0.096 53.723 54.000 -0.303 0.000 0.828 604 D CB 0.325 41.009 40.800 -0.193 0.000 1.039 604 D HN -0.093 nan 8.370 nan 0.000 0.512 605 S N 0.322 115.853 115.700 -0.283 0.000 2.603 605 S HA 0.418 4.888 4.470 0.000 0.000 0.274 605 S C -1.335 173.295 174.600 0.052 0.000 1.168 605 S CA -0.794 57.295 58.200 -0.185 0.000 0.963 605 S CB 1.120 64.277 63.200 -0.072 0.000 1.078 605 S HN -0.063 nan 8.310 nan 0.000 0.477 606 F N 2.428 122.309 119.950 -0.116 0.000 2.394 606 F HA 0.652 5.179 4.527 0.000 0.000 0.340 606 F C 0.988 176.798 175.800 0.017 0.000 1.105 606 F CA -1.675 56.271 58.000 -0.090 0.000 1.124 606 F CB 0.679 39.587 39.000 -0.154 0.000 1.145 606 F HN 0.731 nan 8.300 nan 0.000 0.505 607 A N 3.288 126.306 122.820 0.329 0.000 2.498 607 A HA 0.487 4.807 4.320 0.000 0.000 0.239 607 A C -0.419 177.383 177.584 0.363 0.000 1.068 607 A CA -0.296 51.930 52.037 0.315 0.000 0.766 607 A CB 0.043 19.254 19.000 0.351 0.000 1.003 607 A HN 0.525 nan 8.150 nan 0.000 0.497 608 V N 2.296 122.444 119.914 0.389 0.000 2.581 608 V HA 0.496 4.617 4.120 0.000 0.000 0.303 608 V C -1.010 175.442 176.094 0.596 0.000 1.041 608 V CA -0.373 62.180 62.300 0.422 0.000 0.907 608 V CB 1.168 33.161 31.823 0.284 0.000 0.994 608 V HN 0.730 nan 8.190 nan 0.000 0.442 609 Y N 2.310 122.738 120.300 0.213 0.000 2.442 609 Y HA 0.650 5.200 4.550 0.000 0.000 0.344 609 Y C 0.056 176.082 175.900 0.210 0.000 0.976 609 Y CA -1.213 57.013 58.100 0.209 0.000 1.040 609 Y CB 1.943 40.521 38.460 0.196 0.000 1.228 609 Y HN 0.577 nan 8.280 nan 0.000 0.451 610 R N 2.853 123.498 120.500 0.240 0.000 2.221 610 R HA 0.658 4.998 4.340 0.000 0.000 0.327 610 R C -1.708 174.715 176.300 0.204 0.000 1.033 610 R CA -0.233 55.986 56.100 0.197 0.000 0.887 610 R CB 0.045 30.356 30.300 0.019 0.000 1.057 610 R HN 0.545 nan 8.270 nan 0.000 0.455 611 I N 6.424 127.188 120.570 0.324 0.000 2.441 611 I HA 0.437 4.607 4.170 0.000 0.000 0.295 611 I C -0.437 175.729 176.117 0.083 0.000 0.994 611 I CA -0.801 60.660 61.300 0.269 0.000 1.144 611 I CB 1.558 39.864 38.000 0.511 0.000 1.314 611 I HN 0.588 nan 8.210 nan 0.000 0.445 612 I N 2.076 122.646 120.570 -0.001 0.000 2.894 612 I HA 0.784 4.954 4.170 0.000 0.000 0.302 612 I C -0.873 175.189 176.117 -0.093 0.000 1.188 612 I CA -0.551 60.733 61.300 -0.027 0.000 1.014 612 I CB 2.056 40.032 38.000 -0.040 0.000 1.242 612 I HN 0.585 nan 8.210 nan 0.000 0.430 613 D N 2.498 122.849 120.400 -0.081 0.000 2.541 613 D HA 0.361 5.001 4.640 0.000 0.000 0.276 613 D C 0.223 176.483 176.300 -0.068 0.000 1.190 613 D CA -0.497 53.441 54.000 -0.104 0.000 1.095 613 D CB 0.803 41.558 40.800 -0.075 0.000 1.173 613 D HN 0.464 nan 8.370 nan 0.000 0.604 614 S N -1.186 114.481 115.700 -0.055 0.000 2.540 614 S HA 0.056 4.526 4.470 0.000 0.000 0.218 614 S C 1.131 175.729 174.600 -0.004 0.000 0.977 614 S CA -0.398 57.782 58.200 -0.033 0.000 0.918 614 S CB -0.297 62.880 63.200 -0.038 0.000 0.806 614 S HN 0.382 nan 8.310 nan 0.000 0.496 615 N N 1.505 120.210 118.700 0.008 0.000 2.335 615 N HA 0.097 4.837 4.740 0.000 0.000 0.197 615 N C 1.269 176.802 175.510 0.039 0.000 1.045 615 N CA 1.511 54.575 53.050 0.023 0.000 0.928 615 N CB 0.160 38.663 38.487 0.028 0.000 1.118 615 N HN 0.423 nan 8.380 nan 0.000 0.471 616 G N -0.507 108.327 108.800 0.057 0.000 4.449 616 G HA2 0.047 4.007 3.960 0.000 0.000 0.195 616 G HA3 0.047 4.007 3.960 0.000 0.000 0.195 616 G C -0.573 174.423 174.900 0.160 0.000 0.806 616 G CA 0.248 45.411 45.100 0.105 0.000 0.774 616 G HN 0.437 nan 8.290 nan 0.000 0.508 617 S N 0.891 116.633 115.700 0.070 0.000 2.652 617 S HA 0.840 5.311 4.470 0.000 0.000 0.270 617 S C -0.301 174.318 174.600 0.031 0.000 1.243 617 S CA -0.218 57.959 58.200 -0.038 0.000 0.999 617 S CB 0.992 64.146 63.200 -0.077 0.000 0.973 617 S HN 1.048 nan 8.310 nan 0.000 0.544 618 W N -0.470 120.699 121.300 -0.219 0.000 3.189 618 W HA 0.520 5.180 4.660 0.000 0.000 0.314 618 W C -2.572 173.822 176.519 -0.208 0.000 1.204 618 W CA -1.348 55.781 57.345 -0.360 0.000 1.171 618 W CB -0.154 29.214 29.460 -0.153 0.000 1.394 618 W HN 0.701 nan 8.180 nan 0.000 0.568 619 F N -0.336 119.897 119.950 0.471 0.000 3.129 619 F HA 0.797 5.324 4.527 0.000 0.000 0.326 619 F C -1.312 174.752 175.800 0.440 0.000 1.202 619 F CA -1.766 56.435 58.000 0.334 0.000 0.929 619 F CB 0.382 39.473 39.000 0.151 0.000 1.473 619 F HN 0.057 nan 8.300 nan 0.000 0.512 620 D N 0.437 121.247 120.400 0.684 0.000 2.738 620 D HA 0.584 5.224 4.640 0.000 0.000 0.237 620 D C -1.352 175.153 176.300 0.342 0.000 1.123 620 D CA 0.063 54.361 54.000 0.495 0.000 0.856 620 D CB 3.024 44.068 40.800 0.406 0.000 1.552 620 D HN 0.318 nan 8.370 nan 0.000 0.480 621 I N 0.554 121.325 120.570 0.335 0.000 2.441 621 I HA 0.458 4.628 4.170 0.000 0.000 0.295 621 I C 0.804 177.086 176.117 0.275 0.000 0.994 621 I CA -0.708 60.742 61.300 0.250 0.000 1.144 621 I CB 2.015 40.132 38.000 0.196 0.000 1.314 621 I HN 0.445 nan 8.210 nan 0.000 0.445 622 G N 6.649 115.626 108.800 0.296 0.000 4.160 622 G HA2 0.495 4.455 3.960 0.000 0.000 0.341 622 G HA3 0.495 4.455 3.960 0.000 0.000 0.341 622 G C -0.415 174.622 174.900 0.229 0.000 1.510 622 G CA -0.368 44.920 45.100 0.312 0.000 1.011 622 G HN 0.398 nan 8.290 nan 0.000 0.491 623 I N 1.011 121.610 120.570 0.049 0.000 2.919 623 I HA -0.014 4.156 4.170 0.000 0.000 0.299 623 I C 0.383 176.084 176.117 -0.694 0.000 1.221 623 I CA 0.050 61.230 61.300 -0.200 0.000 1.424 623 I CB 0.287 38.205 38.000 -0.136 0.000 1.358 623 I HN 0.223 nan 8.210 nan 0.000 0.551 624 D N 4.471 123.722 120.400 -1.915 0.000 2.217 624 D HA 0.224 4.864 4.640 0.000 0.000 0.243 624 D C 0.843 176.190 176.300 -1.590 0.000 1.054 624 D CA -0.170 51.030 54.000 -4.667 0.000 0.838 624 D CB 1.708 34.750 40.800 -12.929 0.000 1.162 624 D HN 0.638 nan 8.370 nan 0.000 0.472 625 S N 2.699 118.007 115.700 -0.652 0.000 2.507 625 S HA -0.339 4.131 4.470 0.000 0.000 0.327 625 S C 1.265 175.885 174.600 0.033 0.000 1.255 625 S CA 2.110 60.077 58.200 -0.387 0.000 1.276 625 S CB -0.489 62.726 63.200 0.024 0.000 1.296 625 S HN 0.683 nan 8.310 nan 0.000 0.459 626 D N 1.079 121.531 120.400 0.085 0.000 2.218 626 D HA -0.121 4.519 4.640 0.000 0.000 0.194 626 D C 1.463 178.010 176.300 0.413 0.000 1.007 626 D CA 1.532 55.682 54.000 0.250 0.000 0.879 626 D CB -0.652 40.286 40.800 0.231 0.000 0.918 626 D HN 0.814 nan 8.370 nan 0.000 0.449 627 G N -0.123 108.862 108.800 0.309 0.000 2.181 627 G HA2 -0.126 3.834 3.960 0.000 0.000 0.152 627 G HA3 -0.126 3.834 3.960 0.000 0.000 0.152 627 G C -0.205 174.702 174.900 0.012 0.000 1.026 627 G CA -0.446 44.795 45.100 0.235 0.000 0.699 627 G HN 0.177 nan 8.290 nan 0.000 0.497 628 F N 0.782 120.649 119.950 -0.138 0.000 2.594 628 F HA 0.836 5.363 4.527 0.000 0.000 0.335 628 F C 0.746 176.423 175.800 -0.206 0.000 1.058 628 F CA -1.047 56.839 58.000 -0.189 0.000 0.981 628 F CB 1.871 40.704 39.000 -0.278 0.000 1.289 628 F HN 0.040 nan 8.300 nan 0.000 0.490 629 S N 0.510 116.127 115.700 -0.139 0.000 2.537 629 S HA 0.785 5.255 4.470 0.000 0.000 0.301 629 S C -1.318 173.167 174.600 -0.192 0.000 1.092 629 S CA -0.483 57.677 58.200 -0.066 0.000 1.048 629 S CB 1.211 64.308 63.200 -0.171 0.000 1.053 629 S HN 0.295 nan 8.310 nan 0.000 0.501 630 F N 0.294 120.227 119.950 -0.028 0.000 2.654 630 F HA 0.809 5.336 4.527 0.000 0.000 0.334 630 F C -0.303 175.517 175.800 0.033 0.000 1.078 630 F CA -0.991 57.031 58.000 0.036 0.000 0.986 630 F CB 1.464 40.566 39.000 0.170 0.000 1.362 630 F HN 0.253 nan 8.300 nan 0.000 0.498 631 V N 0.004 120.073 119.914 0.259 0.000 2.891 631 V HA 0.396 4.516 4.120 0.000 0.000 0.304 631 V C 0.341 176.536 176.094 0.169 0.000 1.171 631 V CA -0.701 61.675 62.300 0.126 0.000 0.943 631 V CB 1.809 33.586 31.823 -0.078 0.000 1.037 631 V HN 0.927 nan 8.190 nan 0.000 0.427 632 G N 2.588 111.479 108.800 0.152 0.000 2.744 632 G HA2 0.125 4.085 3.960 0.000 0.000 0.211 632 G HA3 0.125 4.085 3.960 0.000 0.000 0.211 632 G C 0.486 175.428 174.900 0.071 0.000 1.143 632 G CA 0.499 45.692 45.100 0.155 0.000 0.788 632 G HN 0.483 nan 8.290 nan 0.000 0.534 633 V N 0.088 119.991 119.914 -0.018 0.000 3.295 633 V HA 0.291 4.411 4.120 0.000 0.000 0.308 633 V C 1.328 177.238 176.094 -0.306 0.000 1.068 633 V CA -0.037 62.203 62.300 -0.099 0.000 1.062 633 V CB 1.624 33.410 31.823 -0.062 0.000 1.162 633 V HN 0.172 nan 8.190 nan 0.000 0.456 634 S N 0.208 115.739 115.700 -0.283 0.000 2.460 634 S HA 0.131 4.601 4.470 0.000 0.000 0.226 634 S C 0.416 174.861 174.600 -0.258 0.000 1.057 634 S CA 0.568 58.536 58.200 -0.386 0.000 0.948 634 S CB 0.341 63.421 63.200 -0.201 0.000 0.822 634 S HN 0.998 nan 8.310 nan 0.000 0.512 635 S N 1.490 117.087 115.700 -0.171 0.000 2.582 635 S HA 0.537 5.007 4.470 0.000 0.000 0.287 635 S C -0.901 173.628 174.600 -0.119 0.000 1.146 635 S CA -1.147 56.962 58.200 -0.152 0.000 0.941 635 S CB 1.010 64.128 63.200 -0.137 0.000 1.115 635 S HN 0.260 nan 8.310 nan 0.000 0.458 636 I N 0.550 121.045 120.570 -0.125 0.000 2.676 636 I HA 0.968 5.139 4.170 0.000 0.000 0.309 636 I C 0.537 176.562 176.117 -0.153 0.000 0.990 636 I CA -0.593 60.692 61.300 -0.025 0.000 1.168 636 I CB 0.709 38.832 38.000 0.205 0.000 1.343 636 I HN 0.874 nan 8.210 nan 0.000 0.482 637 G N 3.050 111.849 108.800 -0.002 0.000 2.795 637 G HA2 0.406 4.366 3.960 0.000 0.000 0.267 637 G HA3 0.406 4.366 3.960 0.000 0.000 0.267 637 G C -0.382 174.746 174.900 0.380 0.000 1.362 637 G CA -0.777 44.337 45.100 0.024 0.000 1.048 637 G HN 0.839 nan 8.290 nan 0.000 0.547 638 K N -0.217 120.446 120.400 0.439 0.000 2.336 638 K HA 0.361 4.681 4.320 0.000 0.000 0.262 638 K C -0.150 176.616 176.600 0.278 0.000 0.992 638 K CA 0.198 56.763 56.287 0.463 0.000 0.927 638 K CB 0.541 33.204 32.500 0.272 0.000 0.956 638 K HN 0.782 nan 8.250 nan 0.000 0.495 639 L N -3.001 118.352 121.223 0.217 0.000 2.775 639 L HA 0.355 4.695 4.340 0.000 0.000 0.263 639 L C -0.937 176.011 176.870 0.130 0.000 1.017 639 L CA -1.405 53.526 54.840 0.152 0.000 0.891 639 L CB 1.432 43.581 42.059 0.150 0.000 1.482 639 L HN 0.314 nan 8.230 nan 0.000 0.410 640 E N 1.097 121.348 120.200 0.084 0.000 2.606 640 E HA -0.038 4.312 4.350 0.000 0.000 0.248 640 E C 0.179 176.829 176.600 0.084 0.000 1.005 640 E CA 0.379 56.822 56.400 0.071 0.000 0.946 640 E CB 0.436 30.153 29.700 0.029 0.000 0.928 640 E HN 0.601 nan 8.360 nan 0.000 0.494 641 F N 3.927 123.849 119.950 -0.047 0.000 2.365 641 F HA 0.001 4.528 4.527 0.000 0.000 0.300 641 F C -1.226 174.514 175.800 -0.099 0.000 1.090 641 F CA -0.740 57.217 58.000 -0.072 0.000 1.408 641 F CB -0.638 38.312 39.000 -0.083 0.000 1.060 641 F HN 0.279 nan 8.300 nan 0.000 0.534 642 P HA 0.039 nan 4.420 nan 0.000 0.264 642 P C -1.069 176.021 177.300 -0.349 0.000 1.236 642 P CA 0.648 63.598 63.100 -0.250 0.000 0.811 642 P CB 0.203 31.829 31.700 -0.123 0.000 0.840 643 L N 3.594 124.485 121.223 -0.555 0.000 2.307 643 L HA 0.538 4.878 4.340 0.000 0.000 0.284 643 L C 0.423 177.017 176.870 -0.460 0.000 1.023 643 L CA -0.395 54.141 54.840 -0.507 0.000 0.810 643 L CB 1.715 43.370 42.059 -0.673 0.000 1.231 643 L HN 0.203 nan 8.230 nan 0.000 0.423 644 T N 0.652 115.044 114.554 -0.270 0.000 2.829 644 T HA 0.789 5.139 4.350 0.000 0.000 0.280 644 T C -0.368 174.283 174.700 -0.083 0.000 0.999 644 T CA -0.743 61.242 62.100 -0.193 0.000 0.983 644 T CB 2.087 70.871 68.868 -0.141 0.000 0.968 644 T HN 0.645 nan 8.240 nan 0.000 0.446 645 A N 2.122 124.943 122.820 0.002 0.000 2.330 645 A HA 0.827 5.147 4.320 0.000 0.000 0.313 645 A C 0.392 177.886 177.584 -0.149 0.000 1.124 645 A CA -0.699 51.402 52.037 0.107 0.000 0.774 645 A CB 1.207 20.491 19.000 0.473 0.000 1.198 645 A HN 0.996 nan 8.150 nan 0.000 0.465 646 S N 0.982 116.488 115.700 -0.324 0.000 3.012 646 S HA 0.977 5.447 4.470 0.000 0.000 0.254 646 S C -0.612 173.397 174.600 -0.985 0.000 1.030 646 S CA -0.352 57.283 58.200 -0.941 0.000 1.053 646 S CB 0.453 63.307 63.200 -0.576 0.000 1.286 646 S HN 1.428 nan 8.310 nan 0.000 0.633 647 Y N -1.765 118.431 120.300 -0.173 0.000 2.604 647 Y HA 0.623 5.173 4.550 0.000 0.000 0.331 647 Y C -0.595 175.232 175.900 -0.121 0.000 1.158 647 Y CA -1.513 56.409 58.100 -0.297 0.000 1.056 647 Y CB 0.972 39.024 38.460 -0.680 0.000 1.330 647 Y HN 0.428 nan 8.280 nan 0.000 0.457 648 M N 1.721 121.402 119.600 0.136 0.000 2.809 648 M HA 0.409 4.889 4.480 0.000 0.000 0.388 648 M C 1.074 177.427 176.300 0.088 0.000 1.248 648 M CA 0.308 55.670 55.300 0.103 0.000 0.885 648 M CB 0.023 32.676 32.600 0.087 0.000 1.386 648 M HN 1.244 nan 8.290 nan 0.000 0.509 649 G N 2.720 111.563 108.800 0.073 0.000 5.059 649 G HA2 -0.322 3.639 3.960 0.000 0.000 0.336 649 G HA3 -0.322 3.639 3.960 0.000 0.000 0.336 649 G C 0.172 175.152 174.900 0.135 0.000 1.364 649 G CA 0.767 45.906 45.100 0.066 0.000 1.020 649 G HN 0.680 nan 8.290 nan 0.000 0.807 650 N N -0.635 118.139 118.700 0.124 0.000 3.521 650 N HA 0.408 5.148 4.740 0.000 0.000 0.228 650 N C -1.355 174.216 175.510 0.100 0.000 1.328 650 N CA -0.515 52.623 53.050 0.148 0.000 0.907 650 N CB 1.098 39.675 38.487 0.150 0.000 1.487 650 N HN 0.656 nan 8.380 nan 0.000 0.503 651 Q N 0.159 120.022 119.800 0.105 0.000 2.544 651 Q HA 0.527 4.867 4.340 0.000 0.000 0.291 651 Q C -1.032 174.971 176.000 0.005 0.000 1.068 651 Q CA -0.930 54.903 55.803 0.051 0.000 0.785 651 Q CB 2.823 31.598 28.738 0.063 0.000 1.481 651 Q HN 0.518 nan 8.270 nan 0.000 0.430 652 L N 0.482 121.674 121.223 -0.051 0.000 2.418 652 L HA 0.299 4.639 4.340 0.000 0.000 0.265 652 L C 0.768 177.518 176.870 -0.200 0.000 1.143 652 L CA 0.364 55.124 54.840 -0.134 0.000 0.809 652 L CB 0.993 42.980 42.059 -0.121 0.000 1.124 652 L HN 0.939 nan 8.230 nan 0.000 0.456 653 A N 2.023 124.619 122.820 -0.374 0.000 2.119 653 A HA -0.062 4.258 4.320 0.000 0.000 0.216 653 A C 1.862 179.265 177.584 -0.303 0.000 1.152 653 A CA 0.790 52.539 52.037 -0.479 0.000 0.708 653 A CB -0.289 18.160 19.000 -0.918 0.000 0.805 653 A HN 0.771 nan 8.150 nan 0.000 0.460 654 K N -0.344 119.917 120.400 -0.233 0.000 2.442 654 K HA -0.009 4.311 4.320 0.000 0.000 0.198 654 K C 0.161 176.699 176.600 -0.104 0.000 1.044 654 K CA 0.627 56.818 56.287 -0.160 0.000 0.948 654 K CB -0.486 31.933 32.500 -0.134 0.000 0.762 654 K HN 0.750 nan 8.250 nan 0.000 0.472 655 I N -3.158 117.362 120.570 -0.084 0.000 2.846 655 I HA 0.427 4.597 4.170 0.000 0.000 0.307 655 I C -0.010 176.107 176.117 -0.001 0.000 1.053 655 I CA -1.444 59.834 61.300 -0.035 0.000 1.050 655 I CB 1.798 39.785 38.000 -0.022 0.000 1.239 655 I HN -0.278 nan 8.210 nan 0.000 0.439 656 R N 2.013 122.531 120.500 0.030 0.000 2.668 656 R HA 0.728 5.068 4.340 0.000 0.000 0.268 656 R C -0.941 175.418 176.300 0.099 0.000 1.232 656 R CA -0.532 55.611 56.100 0.071 0.000 1.166 656 R CB 0.233 30.578 30.300 0.074 0.000 1.179 656 R HN 0.601 nan 8.270 nan 0.000 0.606 657 L N 1.072 122.374 121.223 0.131 0.000 2.427 657 L HA 0.466 4.806 4.340 0.000 0.000 0.264 657 L C 0.121 177.098 176.870 0.180 0.000 0.989 657 L CA -0.955 53.990 54.840 0.176 0.000 0.865 657 L CB 1.547 43.734 42.059 0.213 0.000 1.209 657 L HN 0.696 nan 8.230 nan 0.000 0.430 658 A N 2.942 125.874 122.820 0.187 0.000 2.422 658 A HA 0.503 4.823 4.320 0.000 0.000 0.278 658 A C 0.635 178.264 177.584 0.075 0.000 1.181 658 A CA 0.899 53.026 52.037 0.149 0.000 0.866 658 A CB 0.176 19.311 19.000 0.224 0.000 1.113 658 A HN 0.993 nan 8.150 nan 0.000 0.523 659 S N -1.682 113.861 115.700 -0.261 0.000 2.688 659 S HA 0.390 4.860 4.470 0.000 0.000 0.266 659 S C -1.234 172.755 174.600 -1.018 0.000 1.061 659 S CA -0.599 57.087 58.200 -0.857 0.000 0.844 659 S CB 0.520 63.562 63.200 -0.264 0.000 1.103 659 S HN 0.758 nan 8.310 nan 0.000 0.471 660 N N 1.559 119.444 118.700 -1.358 0.000 2.851 660 N HA 0.441 5.181 4.740 0.000 0.000 0.248 660 N C -0.163 175.092 175.510 -0.425 0.000 1.221 660 N CA -0.632 51.926 53.050 -0.821 0.000 0.847 660 N CB 0.556 38.465 38.487 -0.964 0.000 1.150 660 N HN 0.715 nan 8.380 nan 0.000 0.507 661 I N -1.009 119.417 120.570 -0.239 0.000 2.764 661 I HA 0.562 4.732 4.170 0.000 0.000 0.294 661 I C 0.713 176.787 176.117 -0.072 0.000 1.045 661 I CA -0.538 60.699 61.300 -0.105 0.000 1.340 661 I CB 0.522 38.489 38.000 -0.056 0.000 1.436 661 I HN 0.501 nan 8.210 nan 0.000 0.567 662 R N 0.000 120.482 120.500 -0.030 0.000 2.786 662 R HA 0.000 4.340 4.340 0.000 0.000 0.208 662 R CA 0.000 56.092 56.100 -0.013 0.000 0.921 662 R CB 0.000 30.290 30.300 -0.016 0.000 0.687 662 R HN 0.000 nan 8.270 nan 0.000 0.535