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 3mgx_1_A DATA FIRST_RESID 6 DATA SEQUENCE AVDLGNPDLY TTLERHARWR ELAAEDAMVW SDPGSSPSGF WSVFSHRACA DATA SEQUENCE AVLAPSAPLT SEYGMMIGFD RDHPDNSGGR MMVVSEHEQH RKLRKLVGPL DATA SEQUENCE LSRAAARKLA ERVRIEVGDV LGRVLDGEVC DAATAIGPRI PAAVVCEILG DATA SEQUENCE VPAEDEDMLI DLTNHAFGGE DXXXXGMTPR QAHTEILVYF DELITARRKE DATA SEQUENCE PGDDLVSTLV TDDDLTIDDV LLNCDNVLIG GNETTRHAIT GAVHALATVP DATA SEQUENCE GLLTALRDGS ADVDTVVEEV LRWTSPAMHV LRVTTADVTI NGRDLPSGTP DATA SEQUENCE VVAWLPAANR DPAEFDDPDT FLPGRKPNRH ITFGHGMHHC LGSALARIEL DATA SEQUENCE SVVLRVLAER VSRVDLEREP AWLRAIVVQG YRELPVRFTG R 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 6 A HA 0.000 nan 4.320 nan 0.000 0.244 6 A C 0.000 177.524 177.584 -0.100 0.000 1.274 6 A CA 0.000 51.997 52.037 -0.067 0.000 0.836 6 A CB 0.000 18.962 19.000 -0.064 0.000 0.831 7 V N 2.129 121.961 119.914 -0.137 0.000 2.435 7 V HA 0.665 4.784 4.120 -0.002 0.000 0.290 7 V C -0.697 175.248 176.094 -0.249 0.000 1.030 7 V CA -0.255 61.943 62.300 -0.170 0.000 0.881 7 V CB 1.772 33.503 31.823 -0.153 0.000 0.983 7 V HN 0.871 nan 8.190 nan 0.000 0.445 8 D N 3.655 123.936 120.400 -0.198 0.000 2.421 8 D HA 0.362 5.001 4.640 -0.002 0.000 0.254 8 D C 0.418 176.680 176.300 -0.062 0.000 1.238 8 D CA -0.355 53.532 54.000 -0.188 0.000 0.919 8 D CB 1.491 42.214 40.800 -0.129 0.000 1.152 8 D HN 0.374 nan 8.370 nan 0.000 0.552 9 L N 2.227 123.459 121.223 0.013 0.000 2.610 9 L HA 0.231 4.570 4.340 -0.002 0.000 0.232 9 L C 2.100 179.310 176.870 0.567 0.000 1.149 9 L CA 0.473 55.467 54.840 0.257 0.000 0.872 9 L CB 0.335 42.607 42.059 0.354 0.000 0.992 9 L HN 0.465 nan 8.230 nan 0.000 0.447 10 G N -0.942 108.169 108.800 0.517 0.000 2.985 10 G HA2 -0.119 3.840 3.960 -0.002 0.000 0.209 10 G HA3 -0.119 3.840 3.960 -0.002 0.000 0.209 10 G C 0.582 175.634 174.900 0.254 0.000 1.165 10 G CA -0.275 45.064 45.100 0.399 0.000 0.776 10 G HN 0.166 nan 8.290 nan 0.000 0.541 11 N N 1.176 119.985 118.700 0.181 0.000 2.420 11 N HA 0.159 4.898 4.740 -0.002 0.000 0.262 11 N C -1.636 173.931 175.510 0.096 0.000 1.144 11 N CA -1.788 51.303 53.050 0.067 0.000 0.952 11 N CB 2.002 40.462 38.487 -0.045 0.000 1.081 11 N HN -0.100 nan 8.380 nan 0.000 0.480 12 P HA -0.017 nan 4.420 nan 0.000 0.226 12 P C 0.315 177.641 177.300 0.043 0.000 1.153 12 P CA 0.767 63.976 63.100 0.181 0.000 0.777 12 P CB 0.428 32.201 31.700 0.122 0.000 0.794 13 D N -0.714 119.645 120.400 -0.069 0.000 2.264 13 D HA -0.052 4.587 4.640 -0.002 0.000 0.208 13 D C 1.784 177.922 176.300 -0.271 0.000 0.966 13 D CA 0.803 54.726 54.000 -0.129 0.000 0.864 13 D CB -0.430 40.302 40.800 -0.113 0.000 0.933 13 D HN 0.238 nan 8.370 nan 0.000 0.499 14 L N -0.571 120.350 121.223 -0.504 0.000 2.376 14 L HA -0.115 4.224 4.340 -0.002 0.000 0.219 14 L C 0.978 177.282 176.870 -0.943 0.000 1.133 14 L CA 0.783 55.121 54.840 -0.837 0.000 0.816 14 L CB -0.143 41.182 42.059 -1.222 0.000 0.933 14 L HN 0.076 nan 8.230 nan 0.000 0.449 15 Y N -2.693 117.453 120.300 -0.257 0.000 2.557 15 Y HA 0.142 4.692 4.550 -0.001 0.000 0.247 15 Y C 2.136 177.883 175.900 -0.256 0.000 1.164 15 Y CA -0.277 57.625 58.100 -0.330 0.000 1.218 15 Y CB -0.508 37.828 38.460 -0.206 0.000 1.210 15 Y HN -0.070 nan 8.280 nan 0.000 0.529 16 T N -0.614 113.891 114.554 -0.082 0.000 2.995 16 T HA -0.050 4.299 4.350 -0.002 0.000 0.269 16 T C 1.065 175.778 174.700 0.021 0.000 1.091 16 T CA 1.511 63.616 62.100 0.008 0.000 1.128 16 T CB -0.234 68.639 68.868 0.009 0.000 0.891 16 T HN 0.445 nan 8.240 nan 0.000 0.492 17 T N -1.203 113.278 114.554 -0.122 0.000 2.940 17 T HA 0.574 4.923 4.350 -0.002 0.000 0.288 17 T C 0.907 175.418 174.700 -0.315 0.000 1.045 17 T CA -0.905 61.132 62.100 -0.105 0.000 1.018 17 T CB 1.278 70.103 68.868 -0.072 0.000 1.151 17 T HN -0.047 nan 8.240 nan 0.000 0.529 18 L N 0.405 121.500 121.223 -0.214 0.000 2.622 18 L HA 0.085 4.424 4.340 -0.002 0.000 0.233 18 L C 2.477 179.240 176.870 -0.178 0.000 1.156 18 L CA 0.751 55.456 54.840 -0.225 0.000 0.866 18 L CB -0.514 41.558 42.059 0.023 0.000 0.980 18 L HN 0.811 nan 8.230 nan 0.000 0.448 19 E N 0.376 120.452 120.200 -0.206 0.000 2.401 19 E HA -0.218 4.131 4.350 -0.002 0.000 0.199 19 E C 2.082 178.463 176.600 -0.365 0.000 1.023 19 E CA 0.486 56.758 56.400 -0.214 0.000 0.859 19 E CB 0.038 29.621 29.700 -0.195 0.000 0.780 19 E HN 0.551 nan 8.360 nan 0.000 0.523 20 R N 0.425 120.580 120.500 -0.574 0.000 2.127 20 R HA -0.179 4.160 4.340 -0.002 0.000 0.238 20 R C 1.603 177.325 176.300 -0.962 0.000 1.134 20 R CA 1.448 56.969 56.100 -0.965 0.000 0.975 20 R CB -0.602 28.997 30.300 -1.168 0.000 0.865 20 R HN 0.317 nan 8.270 nan 0.000 0.447 21 H N 0.936 119.795 119.070 -0.352 0.000 2.389 21 H HA 0.075 4.630 4.556 -0.002 0.000 0.299 21 H C 2.289 177.602 175.328 -0.025 0.000 1.081 21 H CA 1.527 57.566 56.048 -0.014 0.000 1.345 21 H CB -0.139 29.621 29.762 -0.004 0.000 1.393 21 H HN 0.458 nan 8.280 nan 0.000 0.520 22 A N 1.586 124.397 122.820 -0.016 0.000 1.873 22 A HA -0.165 4.154 4.320 -0.002 0.000 0.215 22 A C 2.523 180.048 177.584 -0.098 0.000 1.186 22 A CA 1.178 53.191 52.037 -0.041 0.000 0.616 22 A CB -0.348 18.609 19.000 -0.071 0.000 0.823 22 A HN 0.311 nan 8.150 nan 0.000 0.442 23 R N -1.497 118.866 120.500 -0.229 0.000 2.083 23 R HA -0.176 4.163 4.340 -0.002 0.000 0.237 23 R C 2.049 178.222 176.300 -0.211 0.000 1.137 23 R CA 1.572 57.496 56.100 -0.292 0.000 0.951 23 R CB -0.348 29.671 30.300 -0.469 0.000 0.851 23 R HN 0.714 nan 8.270 nan 0.000 0.434 24 W N 1.092 122.286 121.300 -0.177 0.000 2.388 24 W HA -0.054 4.605 4.660 -0.001 0.000 0.294 24 W C 2.300 178.773 176.519 -0.078 0.000 1.212 24 W CA 0.541 57.802 57.345 -0.140 0.000 1.271 24 W CB -0.689 28.785 29.460 0.024 0.000 1.126 24 W HN 0.053 nan 8.180 nan 0.000 0.535 25 R N 1.136 121.752 120.500 0.193 0.000 2.081 25 R HA -0.185 4.154 4.340 -0.002 0.000 0.235 25 R C 2.060 178.395 176.300 0.058 0.000 1.131 25 R CA 2.160 58.339 56.100 0.131 0.000 0.960 25 R CB -0.920 29.444 30.300 0.107 0.000 0.856 25 R HN 0.238 nan 8.270 nan 0.000 0.436 26 E N -0.237 119.960 120.200 -0.004 0.000 2.051 26 E HA -0.185 4.164 4.350 -0.002 0.000 0.192 26 E C 1.788 178.354 176.600 -0.057 0.000 0.991 26 E CA 1.577 57.954 56.400 -0.038 0.000 0.799 26 E CB -0.097 29.557 29.700 -0.078 0.000 0.748 26 E HN 0.395 nan 8.360 nan 0.000 0.449 27 L N -0.010 121.123 121.223 -0.149 0.000 2.240 27 L HA -0.018 4.321 4.340 -0.002 0.000 0.211 27 L C 2.517 179.386 176.870 -0.001 0.000 1.106 27 L CA 0.726 55.428 54.840 -0.229 0.000 0.793 27 L CB -0.237 41.305 42.059 -0.861 0.000 0.927 27 L HN 0.171 nan 8.230 nan 0.000 0.446 28 A N 0.150 123.021 122.820 0.086 0.000 1.897 28 A HA -0.015 4.304 4.320 -0.002 0.000 0.215 28 A C 2.521 180.190 177.584 0.141 0.000 1.181 28 A CA 1.359 53.512 52.037 0.194 0.000 0.620 28 A CB -0.575 18.559 19.000 0.222 0.000 0.821 28 A HN 0.327 nan 8.150 nan 0.000 0.443 29 A N -0.146 122.733 122.820 0.099 0.000 1.969 29 A HA -0.109 4.210 4.320 -0.002 0.000 0.218 29 A C 1.825 179.449 177.584 0.067 0.000 1.169 29 A CA 1.560 53.644 52.037 0.079 0.000 0.635 29 A CB -0.404 18.633 19.000 0.061 0.000 0.810 29 A HN 0.613 nan 8.150 nan 0.000 0.445 30 E N -1.098 119.138 120.200 0.061 0.000 2.371 30 E HA -0.023 4.326 4.350 -0.002 0.000 0.194 30 E C -0.267 176.383 176.600 0.083 0.000 1.012 30 E CA 0.306 56.740 56.400 0.058 0.000 0.860 30 E CB 0.068 29.792 29.700 0.040 0.000 0.811 30 E HN 0.488 nan 8.360 nan 0.000 0.502 31 D N 0.227 120.696 120.400 0.115 0.000 2.828 31 D HA -0.187 4.452 4.640 -0.002 0.000 0.241 31 D C -1.076 175.326 176.300 0.170 0.000 1.142 31 D CA 0.671 54.760 54.000 0.148 0.000 0.755 31 D CB -1.002 39.864 40.800 0.109 0.000 1.014 31 D HN 0.235 nan 8.370 nan 0.000 0.420 32 A N 2.459 125.413 122.820 0.225 0.000 2.304 32 A HA 0.674 4.993 4.320 -0.002 0.000 0.301 32 A C 0.461 178.263 177.584 0.364 0.000 1.132 32 A CA -0.506 51.676 52.037 0.241 0.000 0.819 32 A CB 0.956 20.057 19.000 0.169 0.000 1.094 32 A HN 0.335 nan 8.150 nan 0.000 0.492 33 M N 3.288 123.085 119.600 0.328 0.000 2.036 33 M HA 0.287 4.766 4.480 -0.002 0.000 0.337 33 M C -1.093 175.584 176.300 0.628 0.000 1.012 33 M CA -0.212 55.348 55.300 0.433 0.000 0.962 33 M CB 0.748 33.481 32.600 0.223 0.000 1.423 33 M HN 0.391 nan 8.290 nan 0.000 0.405 34 V N 4.182 124.479 119.914 0.637 0.000 2.398 34 V HA 0.349 4.468 4.120 -0.002 0.000 0.286 34 V C -0.319 175.933 176.094 0.264 0.000 1.026 34 V CA -0.881 61.685 62.300 0.443 0.000 0.868 34 V CB 1.869 33.891 31.823 0.332 0.000 0.982 34 V HN 0.808 nan 8.190 nan 0.000 0.443 35 W N 4.346 125.423 121.300 -0.372 0.000 2.316 35 W HA 0.463 5.122 4.660 -0.002 0.000 0.311 35 W C -0.465 175.700 176.519 -0.589 0.000 1.217 35 W CA -0.296 56.476 57.345 -0.954 0.000 1.199 35 W CB 1.552 30.131 29.460 -1.468 0.000 1.202 35 W HN 0.511 nan 8.180 nan 0.000 0.528 36 S N 5.492 120.270 115.700 -1.537 0.000 2.437 36 S HA 0.137 4.606 4.470 -0.002 0.000 0.305 36 S C -0.379 173.235 174.600 -1.644 0.000 1.109 36 S CA -0.624 56.727 58.200 -1.416 0.000 1.099 36 S CB 1.223 63.433 63.200 -1.650 0.000 1.004 36 S HN 0.376 nan 8.310 nan 0.000 0.475 37 D N 3.406 123.261 120.400 -0.908 0.000 2.339 37 D HA 0.252 4.891 4.640 -0.002 0.000 0.245 37 D C -2.316 173.749 176.300 -0.391 0.000 1.115 37 D CA -1.354 52.333 54.000 -0.523 0.000 0.917 37 D CB 0.308 40.981 40.800 -0.212 0.000 1.192 37 D HN 0.173 nan 8.370 nan 0.000 0.428 38 P HA 0.130 nan 4.420 nan 0.000 0.265 38 P C 0.346 177.584 177.300 -0.103 0.000 1.187 38 P CA 0.353 63.376 63.100 -0.128 0.000 0.766 38 P CB 0.792 32.463 31.700 -0.048 0.000 0.820 39 G N 0.838 109.590 108.800 -0.080 0.000 3.768 39 G HA2 -0.101 3.858 3.960 -0.002 0.000 0.109 39 G HA3 -0.101 3.858 3.960 -0.002 0.000 0.109 39 G C 1.164 176.035 174.900 -0.049 0.000 1.126 39 G CA 0.413 45.476 45.100 -0.062 0.000 1.143 39 G HN 0.442 nan 8.290 nan 0.000 0.407 40 S N 0.164 115.850 115.700 -0.023 0.000 2.428 40 S HA 0.268 4.737 4.470 -0.002 0.000 0.230 40 S C 1.298 175.876 174.600 -0.036 0.000 1.014 40 S CA 1.433 59.622 58.200 -0.017 0.000 0.957 40 S CB -0.035 63.181 63.200 0.027 0.000 0.784 40 S HN 0.833 nan 8.310 nan 0.000 0.499 41 S N 2.367 118.074 115.700 0.013 0.000 2.541 41 S HA 0.469 4.938 4.470 -0.002 0.000 0.283 41 S C -1.795 172.766 174.600 -0.064 0.000 1.196 41 S CA -1.780 56.425 58.200 0.008 0.000 1.062 41 S CB 1.413 64.740 63.200 0.213 0.000 1.009 41 S HN 0.160 nan 8.310 nan 0.000 0.502 42 P HA 0.150 nan 4.420 nan 0.000 0.231 42 P C 0.359 177.621 177.300 -0.063 0.000 1.168 42 P CA 0.434 63.402 63.100 -0.219 0.000 0.779 42 P CB 0.296 31.631 31.700 -0.608 0.000 0.844 43 S N -1.987 113.734 115.700 0.035 0.000 2.728 43 S HA 0.475 4.944 4.470 -0.002 0.000 0.257 43 S C 0.733 175.396 174.600 0.105 0.000 1.060 43 S CA 0.270 58.545 58.200 0.124 0.000 1.126 43 S CB 0.887 64.210 63.200 0.205 0.000 1.099 43 S HN 0.484 nan 8.310 nan 0.000 0.617 44 G N 2.002 110.781 108.800 -0.035 0.000 2.756 44 G HA2 0.078 4.037 3.960 -0.002 0.000 0.678 44 G HA3 0.078 4.037 3.960 -0.002 0.000 0.678 44 G C -0.916 173.811 174.900 -0.287 0.000 1.349 44 G CA -0.423 44.411 45.100 -0.444 0.000 0.847 44 G HN 0.903 nan 8.290 nan 0.000 0.548 45 F N -4.013 115.429 119.950 -0.847 0.000 2.703 45 F HA 0.740 5.266 4.527 -0.002 0.000 0.308 45 F C -0.821 174.833 175.800 -0.243 0.000 1.126 45 F CA -2.271 55.557 58.000 -0.287 0.000 0.959 45 F CB 0.472 39.412 39.000 -0.099 0.000 1.297 45 F HN 0.652 nan 8.300 nan 0.000 0.441 46 W N 1.044 122.586 121.300 0.404 0.000 2.283 46 W HA 0.724 5.383 4.660 -0.002 0.000 0.341 46 W C -0.361 176.379 176.519 0.368 0.000 1.206 46 W CA -0.397 57.174 57.345 0.377 0.000 1.294 46 W CB 1.928 31.605 29.460 0.361 0.000 1.154 46 W HN 0.576 nan 8.180 nan 0.000 0.613 47 S N 0.963 117.022 115.700 0.598 0.000 2.547 47 S HA 0.608 5.077 4.470 -0.002 0.000 0.281 47 S C -0.758 173.964 174.600 0.203 0.000 1.118 47 S CA -0.911 57.522 58.200 0.389 0.000 0.947 47 S CB 1.261 64.752 63.200 0.486 0.000 1.053 47 S HN 0.325 nan 8.310 nan 0.000 0.482 48 V N 0.405 120.305 119.914 -0.022 0.000 2.769 48 V HA 0.757 4.876 4.120 -0.002 0.000 0.312 48 V C -0.675 175.256 176.094 -0.272 0.000 1.058 48 V CA -0.507 61.788 62.300 -0.008 0.000 0.952 48 V CB 1.200 33.057 31.823 0.057 0.000 1.019 48 V HN 0.886 nan 8.190 nan 0.000 0.445 49 F N 0.541 120.606 119.950 0.192 0.000 2.754 49 F HA 0.269 4.796 4.527 -0.001 0.000 0.316 49 F C 1.640 177.507 175.800 0.112 0.000 0.959 49 F CA 0.593 58.685 58.000 0.154 0.000 1.148 49 F CB 0.115 39.206 39.000 0.152 0.000 0.951 49 F HN 0.693 nan 8.300 nan 0.000 0.625 50 S N 0.486 116.355 115.700 0.281 0.000 2.600 50 S HA 0.013 4.482 4.470 -0.002 0.000 0.265 50 S C 1.229 175.931 174.600 0.169 0.000 1.325 50 S CA -0.283 58.046 58.200 0.215 0.000 1.002 50 S CB 0.420 63.726 63.200 0.177 0.000 0.921 50 S HN 0.372 nan 8.310 nan 0.000 0.554 51 H N 2.778 121.906 119.070 0.098 0.000 2.319 51 H HA -0.133 4.422 4.556 -0.002 0.000 0.299 51 H C 2.231 177.559 175.328 -0.000 0.000 1.092 51 H CA 2.329 58.414 56.048 0.062 0.000 1.302 51 H CB -0.048 29.744 29.762 0.050 0.000 1.373 51 H HN 0.869 nan 8.280 nan 0.000 0.497 52 R N 0.258 120.813 120.500 0.091 0.000 2.115 52 R HA 0.063 4.402 4.340 -0.002 0.000 0.226 52 R C 2.363 178.644 176.300 -0.033 0.000 1.100 52 R CA 1.006 57.116 56.100 0.016 0.000 0.980 52 R CB -0.396 29.940 30.300 0.060 0.000 0.875 52 R HN 0.199 nan 8.270 nan 0.000 0.445 53 A N 1.278 124.101 122.820 0.005 0.000 1.898 53 A HA -0.030 4.289 4.320 -0.002 0.000 0.214 53 A C 2.345 179.912 177.584 -0.029 0.000 1.183 53 A CA 1.037 53.080 52.037 0.010 0.000 0.622 53 A CB -0.621 18.417 19.000 0.063 0.000 0.824 53 A HN 0.502 nan 8.150 nan 0.000 0.444 54 C N -0.849 118.416 119.300 -0.057 0.000 2.440 54 C HA 0.107 4.566 4.460 -0.002 0.000 0.278 54 C C 3.264 178.166 174.990 -0.146 0.000 1.295 54 C CA 0.731 59.695 59.018 -0.090 0.000 1.738 54 C CB -1.205 26.478 27.740 -0.094 0.000 1.987 54 C HN 0.686 nan 8.230 nan 0.000 0.492 55 A N 0.400 123.056 122.820 -0.272 0.000 1.930 55 A HA 0.149 4.468 4.320 -0.002 0.000 0.217 55 A C 2.330 179.794 177.584 -0.200 0.000 1.175 55 A CA 1.810 53.580 52.037 -0.445 0.000 0.627 55 A CB -0.700 17.904 19.000 -0.660 0.000 0.815 55 A HN 0.544 nan 8.150 nan 0.000 0.443 56 A N -0.591 122.166 122.820 -0.105 0.000 1.930 56 A HA 0.062 4.381 4.320 -0.002 0.000 0.217 56 A C 2.170 179.759 177.584 0.009 0.000 1.175 56 A CA 1.598 53.620 52.037 -0.025 0.000 0.627 56 A CB -0.741 18.248 19.000 -0.019 0.000 0.815 56 A HN 0.340 nan 8.150 nan 0.000 0.443 57 V N -0.045 119.869 119.914 0.001 0.000 2.427 57 V HA -0.167 3.952 4.120 -0.002 0.000 0.248 57 V C 2.156 178.274 176.094 0.039 0.000 1.051 57 V CA 1.690 64.000 62.300 0.017 0.000 1.048 57 V CB -0.549 31.278 31.823 0.007 0.000 0.666 57 V HN 0.560 nan 8.190 nan 0.000 0.456 58 L N 0.056 121.318 121.223 0.066 0.000 2.592 58 L HA 0.342 4.681 4.340 -0.002 0.000 0.227 58 L C 1.235 178.221 176.870 0.193 0.000 1.127 58 L CA -0.192 54.722 54.840 0.122 0.000 0.884 58 L CB -0.435 41.714 42.059 0.149 0.000 1.065 58 L HN 0.252 nan 8.230 nan 0.000 0.457 59 A N 0.863 123.798 122.820 0.192 0.000 2.483 59 A HA 0.171 4.490 4.320 -0.002 0.000 0.238 59 A C -1.363 176.253 177.584 0.054 0.000 1.070 59 A CA -0.780 51.355 52.037 0.163 0.000 0.770 59 A CB -0.064 19.012 19.000 0.128 0.000 1.008 59 A HN 0.016 nan 8.150 nan 0.000 0.497 60 P HA -0.124 nan 4.420 nan 0.000 0.218 60 P C 1.395 178.690 177.300 -0.008 0.000 1.149 60 P CA 1.884 64.969 63.100 -0.025 0.000 0.817 60 P CB 0.099 31.769 31.700 -0.049 0.000 0.785 61 S N -1.785 113.919 115.700 0.008 0.000 2.558 61 S HA 0.289 4.758 4.470 -0.002 0.000 0.217 61 S C 1.071 175.681 174.600 0.017 0.000 0.975 61 S CA -0.204 58.002 58.200 0.011 0.000 0.912 61 S CB -0.730 62.478 63.200 0.013 0.000 0.776 61 S HN 0.086 nan 8.310 nan 0.000 0.526 62 A N 3.630 126.464 122.820 0.023 0.000 2.450 62 A HA 0.499 4.818 4.320 -0.002 0.000 0.255 62 A C -2.045 175.553 177.584 0.024 0.000 1.096 62 A CA -1.575 50.477 52.037 0.025 0.000 0.778 62 A CB -0.083 18.938 19.000 0.033 0.000 1.031 62 A HN 0.315 nan 8.150 nan 0.000 0.494 63 P HA 0.325 nan 4.420 nan 0.000 0.230 63 P C -1.145 176.181 177.300 0.043 0.000 1.791 63 P CA 0.311 63.431 63.100 0.034 0.000 1.020 63 P CB -0.419 31.302 31.700 0.035 0.000 1.977 64 L N 0.174 121.420 121.223 0.037 0.000 2.393 64 L HA 0.675 5.014 4.340 -0.002 0.000 0.260 64 L C 0.344 177.230 176.870 0.026 0.000 1.002 64 L CA -0.366 54.502 54.840 0.046 0.000 0.818 64 L CB 2.381 44.465 42.059 0.042 0.000 1.369 64 L HN -0.099 nan 8.230 nan 0.000 0.412 65 T N -1.292 113.286 114.554 0.039 0.000 2.906 65 T HA 0.497 4.846 4.350 -0.002 0.000 0.295 65 T C 0.171 174.845 174.700 -0.044 0.000 1.075 65 T CA -0.283 61.811 62.100 -0.010 0.000 1.005 65 T CB 1.605 70.473 68.868 0.000 0.000 1.136 65 T HN 0.533 nan 8.240 nan 0.000 0.498 66 S N 1.220 116.832 115.700 -0.146 0.000 2.539 66 S HA 0.057 4.526 4.470 -0.002 0.000 0.221 66 S C 1.713 176.196 174.600 -0.195 0.000 0.987 66 S CA -0.047 58.023 58.200 -0.217 0.000 0.929 66 S CB 0.112 63.012 63.200 -0.499 0.000 0.832 66 S HN 0.857 nan 8.310 nan 0.000 0.492 67 E N 0.597 120.648 120.200 -0.248 0.000 2.265 67 E HA -0.190 4.159 4.350 -0.002 0.000 0.196 67 E C 0.546 176.905 176.600 -0.402 0.000 0.996 67 E CA 1.259 57.448 56.400 -0.353 0.000 0.832 67 E CB -0.408 29.018 29.700 -0.456 0.000 0.756 67 E HN 0.628 nan 8.360 nan 0.000 0.491 68 Y N 0.811 121.085 120.300 -0.044 0.000 2.457 68 Y HA 0.398 4.947 4.550 -0.002 0.000 0.263 68 Y C 1.076 176.924 175.900 -0.085 0.000 1.164 68 Y CA 0.330 58.409 58.100 -0.035 0.000 1.274 68 Y CB 1.285 39.762 38.460 0.028 0.000 1.097 68 Y HN 0.224 nan 8.280 nan 0.000 0.523 69 G N 0.506 109.292 108.800 -0.023 0.000 2.334 69 G HA2 0.206 4.165 3.960 -0.002 0.000 0.566 69 G HA3 0.206 4.165 3.960 -0.002 0.000 0.566 69 G C -0.530 174.364 174.900 -0.008 0.000 1.413 69 G CA -0.472 44.579 45.100 -0.082 0.000 0.993 69 G HN 0.084 nan 8.290 nan 0.000 0.642 70 M N -1.279 118.313 119.600 -0.014 0.000 2.511 70 M HA 0.717 5.196 4.480 -0.002 0.000 0.387 70 M C 0.059 176.326 176.300 -0.055 0.000 1.112 70 M CA -0.132 55.127 55.300 -0.069 0.000 0.921 70 M CB 0.352 32.846 32.600 -0.177 0.000 1.501 70 M HN 0.422 nan 8.290 nan 0.000 0.538 71 M N 0.680 120.341 119.600 0.102 0.000 2.593 71 M HA 0.597 5.076 4.480 -0.002 0.000 0.290 71 M C -0.788 175.576 176.300 0.107 0.000 1.244 71 M CA -0.976 54.401 55.300 0.128 0.000 0.857 71 M CB 2.426 35.096 32.600 0.117 0.000 1.738 71 M HN -0.057 nan 8.290 nan 0.000 0.461 72 I N 1.906 122.494 120.570 0.030 0.000 2.752 72 I HA 0.106 4.275 4.170 -0.002 0.000 0.289 72 I C 1.265 177.216 176.117 -0.277 0.000 1.197 72 I CA 1.365 62.484 61.300 -0.302 0.000 1.432 72 I CB -0.594 37.087 38.000 -0.532 0.000 1.359 72 I HN 1.078 nan 8.210 nan 0.000 0.571 73 G N 5.742 114.362 108.800 -0.301 0.000 2.316 73 G HA2 -0.195 3.764 3.960 -0.002 0.000 0.203 73 G HA3 -0.195 3.764 3.960 -0.002 0.000 0.203 73 G C -0.115 174.479 174.900 -0.511 0.000 0.999 73 G CA -0.584 44.234 45.100 -0.470 0.000 0.649 73 G HN 0.384 nan 8.290 nan 0.000 0.489 74 F N 2.249 122.207 119.950 0.012 0.000 2.508 74 F HA 0.701 5.227 4.527 -0.001 0.000 0.325 74 F C 0.321 176.168 175.800 0.078 0.000 1.090 74 F CA -0.519 57.519 58.000 0.063 0.000 0.945 74 F CB 2.081 41.118 39.000 0.062 0.000 1.156 74 F HN 0.370 nan 8.300 nan 0.000 0.463 75 D N -0.975 119.617 120.400 0.320 0.000 2.921 75 D HA 0.291 4.930 4.640 -0.002 0.000 0.329 75 D C 0.615 176.950 176.300 0.057 0.000 1.293 75 D CA -0.879 53.235 54.000 0.190 0.000 0.964 75 D CB 0.815 41.716 40.800 0.167 0.000 1.435 75 D HN 0.287 nan 8.370 nan 0.000 0.548 76 R N -0.696 119.688 120.500 -0.194 0.000 2.092 76 R HA -0.078 4.261 4.340 -0.002 0.000 0.231 76 R C 0.431 176.548 176.300 -0.304 0.000 1.119 76 R CA 1.667 57.385 56.100 -0.637 0.000 0.970 76 R CB -0.220 29.675 30.300 -0.673 0.000 0.864 76 R HN 0.413 nan 8.270 nan 0.000 0.440 77 D N -0.966 119.343 120.400 -0.151 0.000 2.249 77 D HA -0.029 4.610 4.640 -0.002 0.000 0.205 77 D C -0.101 175.969 176.300 -0.384 0.000 0.962 77 D CA 1.099 54.961 54.000 -0.231 0.000 0.860 77 D CB 0.176 40.844 40.800 -0.219 0.000 0.955 77 D HN 0.368 nan 8.370 nan 0.000 0.505 78 H N -0.348 118.761 119.070 0.065 0.000 2.541 78 H HA 0.341 4.896 4.556 -0.002 0.000 0.246 78 H C -2.417 173.047 175.328 0.227 0.000 1.341 78 H CA -1.744 54.381 56.048 0.128 0.000 1.469 78 H CB 1.159 30.990 29.762 0.115 0.000 1.472 78 H HN -0.036 nan 8.280 nan 0.000 0.503 79 P HA 0.025 nan 4.420 nan 0.000 0.281 79 P C 0.155 177.514 177.300 0.098 0.000 1.249 79 P CA -0.561 62.674 63.100 0.225 0.000 0.810 79 P CB 1.040 32.867 31.700 0.211 0.000 1.008 80 D N 1.177 121.417 120.400 -0.266 0.000 2.425 80 D HA -0.067 4.572 4.640 -0.002 0.000 0.247 80 D C 1.207 177.341 176.300 -0.277 0.000 1.147 80 D CA 0.323 53.868 54.000 -0.759 0.000 0.879 80 D CB 0.085 40.292 40.800 -0.988 0.000 1.179 80 D HN 0.314 nan 8.370 nan 0.000 0.456 81 N N 2.093 120.689 118.700 -0.172 0.000 2.289 81 N HA -0.152 4.587 4.740 -0.002 0.000 0.184 81 N C 0.871 176.339 175.510 -0.070 0.000 1.016 81 N CA 0.664 53.679 53.050 -0.057 0.000 0.872 81 N CB 0.288 38.775 38.487 0.000 0.000 0.973 81 N HN 0.231 nan 8.380 nan 0.000 0.433 82 S N -0.306 115.324 115.700 -0.116 0.000 2.562 82 S HA 0.084 4.553 4.470 -0.002 0.000 0.221 82 S C 0.937 175.481 174.600 -0.092 0.000 0.975 82 S CA -0.080 58.070 58.200 -0.083 0.000 0.918 82 S CB 0.061 63.215 63.200 -0.077 0.000 0.772 82 S HN 0.435 nan 8.310 nan 0.000 0.531 83 G N 0.616 109.339 108.800 -0.128 0.000 2.202 83 G HA2 0.355 4.314 3.960 -0.002 0.000 0.251 83 G HA3 0.355 4.314 3.960 -0.002 0.000 0.251 83 G C 1.074 175.921 174.900 -0.087 0.000 1.219 83 G CA 0.221 45.246 45.100 -0.126 0.000 0.943 83 G HN 0.631 nan 8.290 nan 0.000 0.465 84 G N 2.398 111.150 108.800 -0.079 0.000 2.217 84 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.246 84 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.246 84 G C 1.275 176.166 174.900 -0.016 0.000 0.990 84 G CA 0.735 45.809 45.100 -0.044 0.000 0.627 84 G HN 0.765 nan 8.290 nan 0.000 0.522 85 R N -1.012 119.476 120.500 -0.019 0.000 2.167 85 R HA 0.418 4.757 4.340 -0.002 0.000 0.195 85 R C 1.484 177.784 176.300 0.000 0.000 1.027 85 R CA 0.191 56.286 56.100 -0.008 0.000 1.114 85 R CB 0.162 30.456 30.300 -0.010 0.000 1.075 85 R HN 0.436 nan 8.270 nan 0.000 0.538 86 M N 2.064 121.661 119.600 -0.005 0.000 2.211 86 M HA 0.064 4.543 4.480 -0.002 0.000 0.356 86 M C 1.337 177.657 176.300 0.035 0.000 1.216 86 M CA 0.116 55.421 55.300 0.008 0.000 1.134 86 M CB 1.306 33.905 32.600 -0.002 0.000 1.564 86 M HN 0.152 nan 8.290 nan 0.000 0.463 87 M N 4.196 123.830 119.600 0.057 0.000 2.088 87 M HA -0.184 4.295 4.480 -0.002 0.000 0.256 87 M C 1.370 177.805 176.300 0.226 0.000 1.071 87 M CA 2.233 57.612 55.300 0.132 0.000 1.097 87 M CB -0.191 32.457 32.600 0.079 0.000 1.315 87 M HN 0.719 nan 8.290 nan 0.000 0.406 88 V N 0.430 120.418 119.914 0.124 0.000 2.759 88 V HA -0.106 4.013 4.120 -0.002 0.000 0.256 88 V C 1.449 177.497 176.094 -0.078 0.000 1.080 88 V CA 1.528 63.871 62.300 0.072 0.000 1.101 88 V CB 0.013 31.843 31.823 0.012 0.000 0.698 88 V HN 0.574 nan 8.190 nan 0.000 0.477 89 V N -0.818 119.063 119.914 -0.053 0.000 2.940 89 V HA 0.541 4.660 4.120 -0.002 0.000 0.366 89 V C 0.167 176.211 176.094 -0.083 0.000 1.353 89 V CA 0.243 62.470 62.300 -0.121 0.000 1.232 89 V CB -0.402 31.330 31.823 -0.152 0.000 1.278 89 V HN 0.477 nan 8.190 nan 0.000 0.546 90 S N -0.880 114.823 115.700 0.005 0.000 2.599 90 S HA 0.877 5.346 4.470 -0.002 0.000 0.294 90 S C -0.826 173.794 174.600 0.033 0.000 1.094 90 S CA -0.664 57.552 58.200 0.027 0.000 0.931 90 S CB 3.089 66.336 63.200 0.078 0.000 1.093 90 S HN 0.353 nan 8.310 nan 0.000 0.488 91 E N -0.116 120.088 120.200 0.007 0.000 2.440 91 E HA 0.493 4.842 4.350 -0.002 0.000 0.263 91 E C -0.387 176.216 176.600 0.005 0.000 0.938 91 E CA -0.550 55.773 56.400 -0.129 0.000 0.831 91 E CB 0.836 30.320 29.700 -0.360 0.000 1.456 91 E HN 0.970 nan 8.360 nan 0.000 0.427 92 H N 0.268 119.354 119.070 0.026 0.000 1.452 92 H HA -0.191 4.364 4.556 -0.002 0.000 0.090 92 H C 1.038 176.390 175.328 0.041 0.000 0.789 92 H CA 1.484 57.547 56.048 0.025 0.000 1.901 92 H CB -0.798 28.966 29.762 0.004 0.000 2.257 92 H HN 0.445 nan 8.280 nan 0.000 0.961 93 E N 0.117 120.425 120.200 0.180 0.000 2.208 93 E HA -0.115 4.234 4.350 -0.002 0.000 0.193 93 E C 2.179 178.809 176.600 0.051 0.000 0.988 93 E CA 1.249 57.696 56.400 0.078 0.000 0.828 93 E CB -0.245 29.482 29.700 0.046 0.000 0.763 93 E HN 0.414 nan 8.360 nan 0.000 0.478 94 Q N 0.217 120.061 119.800 0.074 0.000 2.119 94 Q HA -0.146 4.193 4.340 -0.002 0.000 0.201 94 Q C 2.103 178.136 176.000 0.055 0.000 0.972 94 Q CA 1.432 57.265 55.803 0.051 0.000 0.847 94 Q CB -0.288 28.482 28.738 0.054 0.000 0.903 94 Q HN 0.467 nan 8.270 nan 0.000 0.433 95 H N -0.455 118.608 119.070 -0.012 0.000 2.357 95 H HA -0.052 4.503 4.556 -0.002 0.000 0.301 95 H C 2.056 177.346 175.328 -0.063 0.000 1.082 95 H CA 1.534 57.557 56.048 -0.042 0.000 1.342 95 H CB 0.183 29.899 29.762 -0.078 0.000 1.389 95 H HN 0.200 nan 8.280 nan 0.000 0.511 96 R N 0.928 121.342 120.500 -0.144 0.000 2.096 96 R HA -0.107 4.232 4.340 -0.002 0.000 0.235 96 R C 2.648 178.852 176.300 -0.159 0.000 1.127 96 R CA 1.532 57.520 56.100 -0.187 0.000 0.968 96 R CB -0.032 30.230 30.300 -0.062 0.000 0.861 96 R HN 0.240 nan 8.270 nan 0.000 0.440 97 K N 0.098 120.440 120.400 -0.097 0.000 2.002 97 K HA -0.141 4.178 4.320 -0.002 0.000 0.209 97 K C 1.893 178.436 176.600 -0.094 0.000 1.048 97 K CA 1.159 57.401 56.287 -0.075 0.000 0.930 97 K CB -0.019 32.456 32.500 -0.042 0.000 0.714 97 K HN 0.143 nan 8.250 nan 0.000 0.438 98 L N 1.230 122.391 121.223 -0.104 0.000 2.083 98 L HA -0.113 4.226 4.340 -0.002 0.000 0.209 98 L C 2.525 179.315 176.870 -0.134 0.000 1.083 98 L CA 1.502 56.283 54.840 -0.098 0.000 0.752 98 L CB -1.002 41.017 42.059 -0.067 0.000 0.899 98 L HN 0.304 nan 8.230 nan 0.000 0.433 99 R N 0.015 120.379 120.500 -0.226 0.000 2.148 99 R HA -0.181 4.158 4.340 -0.002 0.000 0.227 99 R C 2.284 178.492 176.300 -0.152 0.000 1.103 99 R CA 1.186 57.147 56.100 -0.231 0.000 0.983 99 R CB 0.079 30.139 30.300 -0.399 0.000 0.874 99 R HN 0.228 nan 8.270 nan 0.000 0.451 100 K N -0.117 120.202 120.400 -0.135 0.000 2.116 100 K HA -0.093 4.226 4.320 -0.002 0.000 0.203 100 K C 1.721 178.277 176.600 -0.074 0.000 1.052 100 K CA 0.789 57.020 56.287 -0.094 0.000 0.952 100 K CB 0.133 32.584 32.500 -0.081 0.000 0.729 100 K HN 0.067 nan 8.250 nan 0.000 0.446 101 L N 0.243 121.422 121.223 -0.073 0.000 2.131 101 L HA -0.093 4.246 4.340 -0.002 0.000 0.206 101 L C 2.016 178.852 176.870 -0.057 0.000 1.087 101 L CA 1.037 55.842 54.840 -0.059 0.000 0.767 101 L CB -0.102 41.924 42.059 -0.055 0.000 0.917 101 L HN -0.030 nan 8.230 nan 0.000 0.441 102 V N -1.190 118.685 119.914 -0.065 0.000 2.725 102 V HA 0.057 4.176 4.120 -0.002 0.000 0.247 102 V C 2.487 178.547 176.094 -0.057 0.000 1.058 102 V CA 1.053 63.318 62.300 -0.059 0.000 1.080 102 V CB -1.014 30.773 31.823 -0.060 0.000 0.713 102 V HN 0.490 nan 8.190 nan 0.000 0.465 103 G N 2.387 111.148 108.800 -0.066 0.000 2.681 103 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.220 103 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.220 103 G C 0.149 175.019 174.900 -0.050 0.000 1.210 103 G CA 1.632 46.694 45.100 -0.062 0.000 0.783 103 G HN 0.550 nan 8.290 nan 0.000 0.609 104 P HA -0.005 nan 4.420 nan 0.000 0.222 104 P C 1.792 179.073 177.300 -0.031 0.000 1.147 104 P CA 0.788 63.866 63.100 -0.036 0.000 0.790 104 P CB -0.141 31.540 31.700 -0.033 0.000 0.780 105 L N -1.433 119.770 121.223 -0.033 0.000 2.492 105 L HA 0.064 4.403 4.340 -0.002 0.000 0.223 105 L C 1.999 178.852 176.870 -0.029 0.000 1.132 105 L CA 0.647 55.470 54.840 -0.028 0.000 0.850 105 L CB -0.380 41.661 42.059 -0.029 0.000 0.966 105 L HN -0.087 nan 8.230 nan 0.000 0.454 106 L N -1.629 119.572 121.223 -0.036 0.000 3.016 106 L HA 0.214 4.553 4.340 -0.002 0.000 0.267 106 L C 1.098 177.943 176.870 -0.043 0.000 1.182 106 L CA -0.263 54.553 54.840 -0.040 0.000 0.997 106 L CB 0.191 42.221 42.059 -0.049 0.000 1.354 106 L HN 0.139 nan 8.230 nan 0.000 0.569 107 S N -0.480 115.199 115.700 -0.036 0.000 2.617 107 S HA 0.217 4.686 4.470 -0.002 0.000 0.259 107 S C 1.293 175.877 174.600 -0.027 0.000 1.301 107 S CA -0.525 57.655 58.200 -0.034 0.000 0.984 107 S CB 1.014 64.196 63.200 -0.030 0.000 0.954 107 S HN 0.198 nan 8.310 nan 0.000 0.572 108 R N 0.619 121.106 120.500 -0.023 0.000 2.096 108 R HA -0.153 4.186 4.340 -0.002 0.000 0.240 108 R C 2.625 178.920 176.300 -0.009 0.000 1.139 108 R CA 1.550 57.642 56.100 -0.013 0.000 0.952 108 R CB -1.258 29.036 30.300 -0.009 0.000 0.854 108 R HN 0.817 nan 8.270 nan 0.000 0.436 109 A N 1.308 124.122 122.820 -0.011 0.000 1.902 109 A HA -0.104 4.215 4.320 -0.002 0.000 0.217 109 A C 2.387 179.967 177.584 -0.008 0.000 1.181 109 A CA 1.717 53.749 52.037 -0.008 0.000 0.623 109 A CB -0.562 18.432 19.000 -0.010 0.000 0.818 109 A HN 0.418 nan 8.150 nan 0.000 0.443 110 A N -0.400 122.413 122.820 -0.011 0.000 1.968 110 A HA 0.268 4.587 4.320 -0.002 0.000 0.217 110 A C 2.422 180.002 177.584 -0.007 0.000 1.169 110 A CA 1.704 53.734 52.037 -0.010 0.000 0.638 110 A CB -0.795 18.196 19.000 -0.015 0.000 0.812 110 A HN 0.987 nan 8.150 nan 0.000 0.446 111 A N -0.282 122.534 122.820 -0.008 0.000 1.969 111 A HA -0.109 4.210 4.320 -0.002 0.000 0.218 111 A C 2.197 179.784 177.584 0.004 0.000 1.169 111 A CA 1.176 53.211 52.037 -0.002 0.000 0.635 111 A CB -0.378 18.620 19.000 -0.003 0.000 0.810 111 A HN 0.399 nan 8.150 nan 0.000 0.445 112 R N 0.450 120.952 120.500 0.003 0.000 2.092 112 R HA -0.119 4.220 4.340 -0.002 0.000 0.231 112 R C 2.016 178.319 176.300 0.005 0.000 1.119 112 R CA 1.620 57.723 56.100 0.006 0.000 0.970 112 R CB -0.480 29.823 30.300 0.005 0.000 0.864 112 R HN 0.852 nan 8.270 nan 0.000 0.440 113 K N 0.073 120.475 120.400 0.003 0.000 2.366 113 K HA 0.034 4.353 4.320 -0.002 0.000 0.198 113 K C 1.572 178.174 176.600 0.004 0.000 1.044 113 K CA 0.664 56.952 56.287 0.003 0.000 0.973 113 K CB 0.122 32.622 32.500 0.001 0.000 0.767 113 K HN 0.030 nan 8.250 nan 0.000 0.475 114 L N 0.874 122.099 121.223 0.005 0.000 2.567 114 L HA 0.199 4.538 4.340 -0.002 0.000 0.225 114 L C 2.240 179.115 176.870 0.008 0.000 1.119 114 L CA 0.768 55.612 54.840 0.006 0.000 0.871 114 L CB -0.473 41.589 42.059 0.006 0.000 1.036 114 L HN 0.308 nan 8.230 nan 0.000 0.459 115 A N 0.144 122.970 122.820 0.010 0.000 1.972 115 A HA -0.231 4.088 4.320 -0.002 0.000 0.219 115 A C 2.181 179.771 177.584 0.010 0.000 1.169 115 A CA 1.661 53.705 52.037 0.012 0.000 0.635 115 A CB -0.204 18.804 19.000 0.014 0.000 0.810 115 A HN 0.338 nan 8.150 nan 0.000 0.446 116 E N -0.085 120.119 120.200 0.007 0.000 2.077 116 E HA -0.198 4.151 4.350 -0.002 0.000 0.193 116 E C 2.136 178.738 176.600 0.003 0.000 0.989 116 E CA 1.465 57.868 56.400 0.005 0.000 0.800 116 E CB -0.165 29.538 29.700 0.004 0.000 0.746 116 E HN 0.443 nan 8.360 nan 0.000 0.452 117 R N -0.178 120.325 120.500 0.004 0.000 2.081 117 R HA -0.054 4.285 4.340 -0.002 0.000 0.235 117 R C 2.083 178.384 176.300 0.001 0.000 1.131 117 R CA 1.552 57.653 56.100 0.003 0.000 0.960 117 R CB -0.818 29.485 30.300 0.005 0.000 0.856 117 R HN 0.167 nan 8.270 nan 0.000 0.436 118 V N 0.877 120.793 119.914 0.005 0.000 2.287 118 V HA -0.237 3.882 4.120 -0.002 0.000 0.248 118 V C 2.551 178.645 176.094 0.001 0.000 1.053 118 V CA 2.305 64.608 62.300 0.005 0.000 1.027 118 V CB -0.646 31.185 31.823 0.013 0.000 0.646 118 V HN 0.379 nan 8.190 nan 0.000 0.447 119 R N -0.199 120.303 120.500 0.002 0.000 2.073 119 R HA -0.139 4.200 4.340 -0.002 0.000 0.234 119 R C 2.275 178.569 176.300 -0.009 0.000 1.134 119 R CA 1.683 57.782 56.100 -0.002 0.000 0.952 119 R CB -0.188 30.113 30.300 0.001 0.000 0.850 119 R HN 0.348 nan 8.270 nan 0.000 0.433 120 I N 1.043 121.609 120.570 -0.008 0.000 2.226 120 I HA -0.200 3.969 4.170 -0.002 0.000 0.245 120 I C 2.182 178.288 176.117 -0.018 0.000 1.100 120 I CA 1.387 62.679 61.300 -0.012 0.000 1.374 120 I CB -1.053 36.943 38.000 -0.008 0.000 1.057 120 I HN 0.262 nan 8.210 nan 0.000 0.413 121 E N 0.820 121.010 120.200 -0.016 0.000 2.106 121 E HA -0.118 4.231 4.350 -0.002 0.000 0.192 121 E C 2.252 178.832 176.600 -0.033 0.000 0.984 121 E CA 0.845 57.232 56.400 -0.021 0.000 0.806 121 E CB -0.031 29.660 29.700 -0.015 0.000 0.750 121 E HN 0.227 nan 8.360 nan 0.000 0.458 122 V N -0.113 119.782 119.914 -0.032 0.000 2.358 122 V HA -0.144 3.975 4.120 -0.002 0.000 0.246 122 V C 2.262 178.317 176.094 -0.064 0.000 1.047 122 V CA 1.822 64.093 62.300 -0.049 0.000 1.035 122 V CB -0.976 30.827 31.823 -0.034 0.000 0.658 122 V HN 0.464 nan 8.190 nan 0.000 0.452 123 G N -0.342 108.430 108.800 -0.046 0.000 2.422 123 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.218 123 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.218 123 G C 1.245 176.114 174.900 -0.053 0.000 1.146 123 G CA 0.988 46.059 45.100 -0.047 0.000 0.769 123 G HN 0.492 nan 8.290 nan 0.000 0.547 124 D N 0.064 120.437 120.400 -0.046 0.000 2.178 124 D HA -0.047 4.592 4.640 -0.002 0.000 0.202 124 D C 2.721 178.984 176.300 -0.061 0.000 0.974 124 D CA 0.388 54.361 54.000 -0.045 0.000 0.841 124 D CB -0.124 40.656 40.800 -0.034 0.000 0.953 124 D HN 0.204 nan 8.370 nan 0.000 0.478 125 V N 0.982 120.850 119.914 -0.076 0.000 2.307 125 V HA -0.150 3.969 4.120 -0.002 0.000 0.245 125 V C 2.162 178.167 176.094 -0.148 0.000 1.045 125 V CA 0.945 63.182 62.300 -0.104 0.000 1.024 125 V CB -0.300 31.455 31.823 -0.113 0.000 0.651 125 V HN 0.199 nan 8.190 nan 0.000 0.449 126 L N 0.773 121.898 121.223 -0.163 0.000 2.762 126 L HA 0.084 4.423 4.340 -0.002 0.000 0.250 126 L C 1.922 178.721 176.870 -0.118 0.000 1.160 126 L CA 0.648 55.373 54.840 -0.191 0.000 0.951 126 L CB -0.748 41.205 42.059 -0.177 0.000 1.148 126 L HN 0.404 nan 8.230 nan 0.000 0.424 127 G N -0.866 107.879 108.800 -0.092 0.000 2.833 127 G HA2 0.023 3.982 3.960 -0.002 0.000 0.210 127 G HA3 0.023 3.982 3.960 -0.002 0.000 0.210 127 G C 1.655 176.523 174.900 -0.053 0.000 1.139 127 G CA -0.176 44.888 45.100 -0.060 0.000 0.771 127 G HN 0.266 nan 8.290 nan 0.000 0.535 128 R N -0.351 120.110 120.500 -0.066 0.000 2.453 128 R HA 0.145 4.484 4.340 -0.002 0.000 0.233 128 R C 1.930 178.200 176.300 -0.051 0.000 0.895 128 R CA 0.609 56.680 56.100 -0.048 0.000 1.028 128 R CB 0.768 31.044 30.300 -0.040 0.000 1.255 128 R HN 0.313 nan 8.270 nan 0.000 0.571 129 V N -1.829 118.027 119.914 -0.097 0.000 3.644 129 V HA 0.116 4.235 4.120 -0.002 0.000 0.267 129 V C 1.469 177.521 176.094 -0.069 0.000 1.277 129 V CA 0.365 62.606 62.300 -0.098 0.000 1.096 129 V CB 0.099 31.788 31.823 -0.224 0.000 0.828 129 V HN 0.045 nan 8.190 nan 0.000 0.446 130 L N 1.422 122.595 121.223 -0.083 0.000 2.633 130 L HA 0.158 4.497 4.340 -0.002 0.000 0.235 130 L C 0.872 177.761 176.870 0.031 0.000 1.163 130 L CA 0.955 55.781 54.840 -0.023 0.000 0.859 130 L CB -0.856 41.178 42.059 -0.041 0.000 0.973 130 L HN 0.433 nan 8.230 nan 0.000 0.451 131 D N -1.305 119.112 120.400 0.029 0.000 2.371 131 D HA 0.069 4.708 4.640 -0.002 0.000 0.242 131 D C 1.299 177.637 176.300 0.063 0.000 1.218 131 D CA 0.636 54.658 54.000 0.037 0.000 0.945 131 D CB 0.579 41.394 40.800 0.024 0.000 1.137 131 D HN 0.127 nan 8.370 nan 0.000 0.464 132 G N 0.010 108.837 108.800 0.047 0.000 2.480 132 G HA2 -0.178 3.781 3.960 -0.002 0.000 0.216 132 G HA3 -0.178 3.781 3.960 -0.002 0.000 0.216 132 G C 0.364 175.294 174.900 0.051 0.000 1.200 132 G CA 0.839 45.966 45.100 0.045 0.000 0.782 132 G HN 0.502 nan 8.290 nan 0.000 0.554 133 E N -2.011 118.214 120.200 0.042 0.000 2.366 133 E HA 0.564 4.913 4.350 -0.002 0.000 0.278 133 E C -1.855 174.766 176.600 0.035 0.000 0.923 133 E CA -0.579 55.844 56.400 0.038 0.000 0.761 133 E CB 3.284 32.997 29.700 0.021 0.000 1.231 133 E HN 0.060 nan 8.360 nan 0.000 0.443 134 V N 1.292 121.229 119.914 0.037 0.000 3.147 134 V HA 0.698 4.817 4.120 -0.002 0.000 0.306 134 V C -1.570 174.557 176.094 0.056 0.000 1.209 134 V CA -0.477 61.851 62.300 0.046 0.000 1.023 134 V CB 1.842 33.680 31.823 0.025 0.000 1.059 134 V HN 1.005 nan 8.190 nan 0.000 0.435 135 C N 1.890 121.237 119.300 0.078 0.000 2.880 135 C HA 0.752 5.211 4.460 -0.002 0.000 0.320 135 C C -0.800 174.233 174.990 0.071 0.000 1.176 135 C CA -0.844 58.222 59.018 0.081 0.000 1.390 135 C CB 1.121 28.929 27.740 0.114 0.000 1.846 135 C HN 0.898 nan 8.230 nan 0.000 0.478 136 D N 1.056 121.483 120.400 0.044 0.000 2.308 136 D HA 0.530 5.169 4.640 -0.002 0.000 0.251 136 D C 0.850 177.171 176.300 0.035 0.000 1.127 136 D CA 0.233 54.247 54.000 0.023 0.000 0.876 136 D CB 1.964 42.770 40.800 0.011 0.000 1.176 136 D HN 0.863 nan 8.370 nan 0.000 0.446 137 A N 3.360 126.187 122.820 0.012 0.000 2.081 137 A HA 0.245 4.564 4.320 -0.002 0.000 0.214 137 A C 1.829 179.390 177.584 -0.039 0.000 1.158 137 A CA 0.951 52.994 52.037 0.009 0.000 0.724 137 A CB -0.140 18.852 19.000 -0.013 0.000 0.826 137 A HN 0.584 nan 8.150 nan 0.000 0.463 138 A N -0.078 122.716 122.820 -0.043 0.000 2.119 138 A HA 0.254 4.573 4.320 -0.002 0.000 0.216 138 A C 1.271 178.867 177.584 0.020 0.000 1.152 138 A CA 1.454 53.492 52.037 0.002 0.000 0.708 138 A CB -0.585 18.454 19.000 0.065 0.000 0.805 138 A HN 0.631 nan 8.150 nan 0.000 0.460 139 T N -6.065 108.496 114.554 0.013 0.000 2.876 139 T HA 0.588 4.937 4.350 -0.002 0.000 0.289 139 T C 0.426 175.132 174.700 0.010 0.000 1.014 139 T CA 0.119 62.229 62.100 0.016 0.000 0.986 139 T CB 1.573 70.455 68.868 0.024 0.000 1.021 139 T HN 1.736 nan 8.240 nan 0.000 0.458 140 A N 1.746 124.570 122.820 0.006 0.000 3.132 140 A HA -0.167 4.152 4.320 -0.002 0.000 0.266 140 A C 0.967 178.541 177.584 -0.016 0.000 1.216 140 A CA 1.642 53.676 52.037 -0.004 0.000 0.985 140 A CB -2.262 16.736 19.000 -0.003 0.000 1.102 140 A HN 0.855 nan 8.150 nan 0.000 0.833 141 I N -2.856 117.707 120.570 -0.011 0.000 3.664 141 I HA 0.159 4.328 4.170 -0.002 0.000 0.251 141 I C 2.538 178.645 176.117 -0.016 0.000 1.134 141 I CA 1.158 62.448 61.300 -0.016 0.000 1.520 141 I CB -1.643 36.365 38.000 0.014 0.000 1.638 141 I HN 0.236 nan 8.210 nan 0.000 0.431 142 G N 3.751 112.540 108.800 -0.020 0.000 2.433 142 G HA2 -0.148 3.811 3.960 -0.002 0.000 0.216 142 G HA3 -0.148 3.811 3.960 -0.002 0.000 0.216 142 G C -0.543 174.332 174.900 -0.042 0.000 1.186 142 G CA 1.131 46.211 45.100 -0.034 0.000 0.779 142 G HN 0.317 nan 8.290 nan 0.000 0.543 143 P HA 0.036 nan 4.420 nan 0.000 0.227 143 P C 1.545 178.837 177.300 -0.012 0.000 1.161 143 P CA 0.655 63.736 63.100 -0.031 0.000 0.788 143 P CB 0.147 31.841 31.700 -0.009 0.000 0.822 144 R N 0.526 121.018 120.500 -0.012 0.000 2.073 144 R HA -0.090 4.249 4.340 -0.002 0.000 0.234 144 R C 2.264 178.559 176.300 -0.010 0.000 1.134 144 R CA 1.579 57.672 56.100 -0.011 0.000 0.952 144 R CB -1.187 29.102 30.300 -0.018 0.000 0.850 144 R HN 0.019 nan 8.270 nan 0.000 0.433 145 I N 0.836 121.400 120.570 -0.011 0.000 2.163 145 I HA -0.106 4.063 4.170 -0.002 0.000 0.240 145 I C -0.691 175.425 176.117 -0.001 0.000 1.081 145 I CA 1.236 62.533 61.300 -0.005 0.000 1.353 145 I CB -2.186 35.814 38.000 0.000 0.000 1.054 145 I HN 0.111 nan 8.210 nan 0.000 0.407 146 P HA -0.057 nan 4.420 nan 0.000 0.218 146 P C 1.690 178.988 177.300 -0.003 0.000 1.149 146 P CA 1.775 64.870 63.100 -0.007 0.000 0.817 146 P CB 0.020 31.704 31.700 -0.027 0.000 0.785 147 A N 0.123 122.944 122.820 0.002 0.000 1.898 147 A HA -0.066 4.253 4.320 -0.002 0.000 0.216 147 A C 2.316 179.908 177.584 0.014 0.000 1.181 147 A CA 1.949 53.995 52.037 0.015 0.000 0.620 147 A CB -1.555 17.456 19.000 0.017 0.000 0.819 147 A HN 0.189 nan 8.150 nan 0.000 0.442 148 A N -0.558 122.266 122.820 0.006 0.000 1.902 148 A HA 0.025 4.344 4.320 -0.002 0.000 0.217 148 A C 2.220 179.811 177.584 0.012 0.000 1.181 148 A CA 1.752 53.792 52.037 0.006 0.000 0.623 148 A CB -0.839 18.161 19.000 -0.000 0.000 0.818 148 A HN 0.364 nan 8.150 nan 0.000 0.443 149 V N -0.493 119.428 119.914 0.012 0.000 2.307 149 V HA -0.204 3.915 4.120 -0.002 0.000 0.245 149 V C 2.554 178.660 176.094 0.019 0.000 1.045 149 V CA 1.895 64.202 62.300 0.013 0.000 1.024 149 V CB -0.736 31.093 31.823 0.010 0.000 0.651 149 V HN 0.355 nan 8.190 nan 0.000 0.449 150 V N -1.086 118.842 119.914 0.024 0.000 2.407 150 V HA -0.301 3.818 4.120 -0.002 0.000 0.248 150 V C 2.551 178.685 176.094 0.067 0.000 1.055 150 V CA 2.128 64.453 62.300 0.042 0.000 1.049 150 V CB -0.726 31.127 31.823 0.049 0.000 0.662 150 V HN 0.651 nan 8.190 nan 0.000 0.455 151 C N -0.220 119.117 119.300 0.062 0.000 2.413 151 C HA -0.185 4.274 4.460 -0.002 0.000 0.276 151 C C 2.691 177.720 174.990 0.065 0.000 1.236 151 C CA 1.284 60.344 59.018 0.071 0.000 1.735 151 C CB -0.947 26.816 27.740 0.038 0.000 2.031 151 C HN 0.608 nan 8.230 nan 0.000 0.474 152 E N 0.039 120.264 120.200 0.042 0.000 2.208 152 E HA -0.105 4.244 4.350 -0.002 0.000 0.193 152 E C 2.029 178.646 176.600 0.029 0.000 0.988 152 E CA 0.715 57.135 56.400 0.033 0.000 0.828 152 E CB -0.020 29.693 29.700 0.021 0.000 0.763 152 E HN 0.555 nan 8.360 nan 0.000 0.478 153 I N 0.867 121.453 120.570 0.027 0.000 2.202 153 I HA -0.235 3.934 4.170 -0.002 0.000 0.242 153 I C 2.309 178.435 176.117 0.015 0.000 1.091 153 I CA 1.292 62.600 61.300 0.014 0.000 1.368 153 I CB -0.918 37.086 38.000 0.006 0.000 1.058 153 I HN 0.157 nan 8.210 nan 0.000 0.410 154 L N 0.613 121.859 121.223 0.037 0.000 2.362 154 L HA 0.003 4.342 4.340 -0.002 0.000 0.219 154 L C 1.407 178.312 176.870 0.058 0.000 1.134 154 L CA 0.804 55.668 54.840 0.040 0.000 0.807 154 L CB -0.717 41.408 42.059 0.110 0.000 0.927 154 L HN 0.528 nan 8.230 nan 0.000 0.447 155 G N 0.834 109.671 108.800 0.061 0.000 2.225 155 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.264 155 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.264 155 G C 0.251 175.206 174.900 0.092 0.000 1.060 155 G CA 0.206 45.341 45.100 0.058 0.000 0.833 155 G HN 0.296 nan 8.290 nan 0.000 0.498 156 V N -1.881 118.110 119.914 0.128 0.000 2.637 156 V HA 0.668 4.787 4.120 -0.002 0.000 0.296 156 V C -1.054 175.113 176.094 0.123 0.000 1.046 156 V CA -2.108 60.300 62.300 0.180 0.000 1.066 156 V CB 0.834 32.784 31.823 0.212 0.000 0.968 156 V HN 0.138 nan 8.190 nan 0.000 0.483 157 P HA 0.203 nan 4.420 nan 0.000 0.266 157 P C 0.774 178.113 177.300 0.065 0.000 1.195 157 P CA 0.550 63.705 63.100 0.091 0.000 0.768 157 P CB 0.850 32.613 31.700 0.104 0.000 0.838 158 A N 3.289 126.134 122.820 0.042 0.000 2.024 158 A HA -0.226 4.093 4.320 -0.002 0.000 0.220 158 A C 1.747 179.342 177.584 0.017 0.000 1.164 158 A CA 1.642 53.694 52.037 0.024 0.000 0.643 158 A CB -0.896 18.115 19.000 0.018 0.000 0.806 158 A HN 0.586 nan 8.150 nan 0.000 0.451 159 E N 0.458 120.674 120.200 0.027 0.000 2.153 159 E HA -0.129 4.220 4.350 -0.002 0.000 0.194 159 E C 0.779 177.387 176.600 0.013 0.000 0.988 159 E CA 1.379 57.792 56.400 0.022 0.000 0.811 159 E CB -0.097 29.624 29.700 0.034 0.000 0.746 159 E HN 0.572 nan 8.360 nan 0.000 0.466 160 D N -0.215 120.195 120.400 0.016 0.000 2.369 160 D HA 0.025 4.664 4.640 -0.002 0.000 0.211 160 D C 1.104 177.342 176.300 -0.104 0.000 1.077 160 D CA 0.063 54.040 54.000 -0.038 0.000 0.842 160 D CB 0.167 40.968 40.800 0.001 0.000 0.947 160 D HN 0.227 nan 8.370 nan 0.000 0.509 161 E N 0.959 121.127 120.200 -0.053 0.000 2.038 161 E HA -0.167 4.182 4.350 -0.002 0.000 0.195 161 E C 1.107 177.666 176.600 -0.069 0.000 1.000 161 E CA 0.922 57.288 56.400 -0.055 0.000 0.803 161 E CB 0.145 29.833 29.700 -0.020 0.000 0.750 161 E HN 0.184 nan 8.360 nan 0.000 0.448 162 D N 0.391 120.758 120.400 -0.054 0.000 2.149 162 D HA -0.171 4.468 4.640 -0.002 0.000 0.198 162 D C 1.883 178.141 176.300 -0.070 0.000 0.990 162 D CA 0.831 54.800 54.000 -0.051 0.000 0.839 162 D CB -0.192 40.586 40.800 -0.037 0.000 0.948 162 D HN 0.171 nan 8.370 nan 0.000 0.460 163 M N -0.046 119.497 119.600 -0.095 0.000 2.132 163 M HA -0.142 4.337 4.480 -0.002 0.000 0.263 163 M C 1.919 178.124 176.300 -0.158 0.000 1.065 163 M CA 1.241 56.468 55.300 -0.121 0.000 1.122 163 M CB 0.039 32.555 32.600 -0.140 0.000 1.365 163 M HN -0.038 nan 8.290 nan 0.000 0.411 164 L N 0.126 121.226 121.223 -0.205 0.000 2.156 164 L HA -0.182 4.157 4.340 -0.002 0.000 0.208 164 L C 2.334 179.135 176.870 -0.116 0.000 1.095 164 L CA 0.342 55.050 54.840 -0.220 0.000 0.770 164 L CB -0.575 41.319 42.059 -0.276 0.000 0.914 164 L HN 0.331 nan 8.230 nan 0.000 0.439 165 I N -0.015 120.508 120.570 -0.078 0.000 2.142 165 I HA -0.279 3.890 4.170 -0.002 0.000 0.240 165 I C 2.167 178.268 176.117 -0.026 0.000 1.078 165 I CA 1.528 62.805 61.300 -0.037 0.000 1.343 165 I CB -1.204 36.779 38.000 -0.029 0.000 1.046 165 I HN 0.282 nan 8.210 nan 0.000 0.405 166 D N 0.859 121.236 120.400 -0.039 0.000 2.117 166 D HA -0.140 4.499 4.640 -0.002 0.000 0.197 166 D C 2.461 178.751 176.300 -0.017 0.000 0.987 166 D CA 1.074 55.059 54.000 -0.024 0.000 0.829 166 D CB -0.248 40.528 40.800 -0.039 0.000 0.961 166 D HN 0.293 nan 8.370 nan 0.000 0.460 167 L N 0.526 121.716 121.223 -0.056 0.000 2.093 167 L HA -0.114 4.225 4.340 -0.002 0.000 0.208 167 L C 2.493 179.332 176.870 -0.051 0.000 1.085 167 L CA 1.026 55.827 54.840 -0.066 0.000 0.755 167 L CB -0.484 41.502 42.059 -0.120 0.000 0.904 167 L HN -0.001 nan 8.230 nan 0.000 0.435 168 T N -0.673 113.862 114.554 -0.031 0.000 2.777 168 T HA -0.125 4.224 4.350 -0.002 0.000 0.266 168 T C 1.681 176.446 174.700 0.108 0.000 1.040 168 T CA 1.297 63.426 62.100 0.047 0.000 1.141 168 T CB -0.257 68.658 68.868 0.079 0.000 0.868 168 T HN 0.264 nan 8.240 nan 0.000 0.444 169 N N 0.751 119.494 118.700 0.072 0.000 2.061 169 N HA -0.123 4.616 4.740 -0.002 0.000 0.193 169 N C 1.680 177.238 175.510 0.079 0.000 1.030 169 N CA 1.411 54.506 53.050 0.076 0.000 0.856 169 N CB -0.523 37.997 38.487 0.054 0.000 1.023 169 N HN 0.540 nan 8.380 nan 0.000 0.424 170 H N -0.293 118.763 119.070 -0.023 0.000 2.470 170 H HA 0.298 4.853 4.556 -0.002 0.000 0.289 170 H C 1.721 176.993 175.328 -0.092 0.000 1.033 170 H CA 1.084 57.109 56.048 -0.038 0.000 1.331 170 H CB 0.020 29.755 29.762 -0.046 0.000 1.414 170 H HN 0.228 nan 8.280 nan 0.000 0.545 171 A N -0.396 122.355 122.820 -0.114 0.000 2.015 171 A HA -0.068 4.251 4.320 -0.002 0.000 0.219 171 A C 0.987 178.162 177.584 -0.681 0.000 1.163 171 A CA 1.128 52.894 52.037 -0.451 0.000 0.646 171 A CB -0.394 18.141 19.000 -0.775 0.000 0.806 171 A HN 0.455 nan 8.150 nan 0.000 0.448 172 F N -1.471 118.476 119.950 -0.005 0.000 2.735 172 F HA 0.381 4.907 4.527 -0.002 0.000 0.308 172 F C 1.369 177.189 175.800 0.033 0.000 1.112 172 F CA -0.183 57.833 58.000 0.026 0.000 1.235 172 F CB 0.345 39.355 39.000 0.016 0.000 1.027 172 F HN 0.228 nan 8.300 nan 0.000 0.528 173 G N -0.038 108.800 108.800 0.064 0.000 2.849 173 G HA2 0.459 4.418 3.960 -0.002 0.000 0.174 173 G HA3 0.459 4.418 3.960 -0.002 0.000 0.174 173 G C 0.155 175.053 174.900 -0.004 0.000 1.370 173 G CA -0.424 44.699 45.100 0.038 0.000 1.040 173 G HN 0.183 nan 8.290 nan 0.000 0.582 174 G N -0.747 108.025 108.800 -0.047 0.000 2.340 174 G HA2 0.295 4.254 3.960 -0.002 0.000 0.245 174 G HA3 0.295 4.254 3.960 -0.002 0.000 0.245 174 G C 0.592 175.433 174.900 -0.098 0.000 1.294 174 G CA 0.006 45.081 45.100 -0.041 0.000 0.896 174 G HN 0.578 nan 8.290 nan 0.000 0.522 175 E N 0.702 120.883 120.200 -0.032 0.000 2.150 175 E HA -0.048 4.301 4.350 -0.002 0.000 0.193 175 E C 0.594 177.190 176.600 -0.006 0.000 0.985 175 E CA 1.252 57.640 56.400 -0.021 0.000 0.814 175 E CB 0.190 29.898 29.700 0.013 0.000 0.752 175 E HN 0.809 nan 8.360 nan 0.000 0.466 182 M N 1.214 120.720 119.600 -0.157 0.000 2.367 182 M HA 0.446 4.925 4.480 -0.002 0.000 0.339 182 M C 0.159 176.433 176.300 -0.044 0.000 1.177 182 M CA -0.191 55.009 55.300 -0.167 0.000 1.068 182 M CB 1.728 34.150 32.600 -0.296 0.000 1.602 182 M HN 0.173 nan 8.290 nan 0.000 0.457 183 T N 2.545 117.127 114.554 0.048 0.000 2.882 183 T HA 0.221 4.570 4.350 -0.002 0.000 0.287 183 T C -1.902 172.915 174.700 0.195 0.000 0.992 183 T CA -1.369 60.816 62.100 0.143 0.000 1.076 183 T CB 1.129 70.037 68.868 0.067 0.000 0.961 183 T HN 0.400 nan 8.240 nan 0.000 0.490 184 P HA -0.130 nan 4.420 nan 0.000 0.217 184 P C 1.550 178.867 177.300 0.030 0.000 1.151 184 P CA 0.996 64.143 63.100 0.079 0.000 0.849 184 P CB 0.222 31.892 31.700 -0.050 0.000 0.787 185 R N -0.379 120.143 120.500 0.036 0.000 2.090 185 R HA -0.104 4.235 4.340 -0.002 0.000 0.228 185 R C 2.295 178.615 176.300 0.033 0.000 1.110 185 R CA 1.302 57.417 56.100 0.026 0.000 0.973 185 R CB -0.275 30.031 30.300 0.011 0.000 0.869 185 R HN 0.241 nan 8.270 nan 0.000 0.440 186 Q N -0.567 119.252 119.800 0.031 0.000 2.079 186 Q HA -0.079 4.260 4.340 -0.002 0.000 0.200 186 Q C 2.089 178.094 176.000 0.009 0.000 0.974 186 Q CA 1.453 57.265 55.803 0.016 0.000 0.840 186 Q CB -0.028 28.712 28.738 0.004 0.000 0.898 186 Q HN 0.376 nan 8.270 nan 0.000 0.430 187 A N 0.278 123.104 122.820 0.010 0.000 1.933 187 A HA -0.239 4.080 4.320 -0.002 0.000 0.218 187 A C 1.692 179.250 177.584 -0.043 0.000 1.175 187 A CA 1.691 53.713 52.037 -0.026 0.000 0.628 187 A CB -0.778 18.224 19.000 0.002 0.000 0.814 187 A HN 0.458 nan 8.150 nan 0.000 0.444 188 H N -0.581 118.405 119.070 -0.139 0.000 2.353 188 H HA -0.103 4.452 4.556 -0.002 0.000 0.300 188 H C 2.237 177.514 175.328 -0.086 0.000 1.090 188 H CA 1.893 57.846 56.048 -0.158 0.000 1.327 188 H CB 0.146 29.800 29.762 -0.179 0.000 1.383 188 H HN 0.471 nan 8.280 nan 0.000 0.508 189 T N 0.639 115.261 114.554 0.114 0.000 2.746 189 T HA -0.136 4.213 4.350 -0.002 0.000 0.267 189 T C 1.709 176.426 174.700 0.029 0.000 1.039 189 T CA 1.265 63.401 62.100 0.060 0.000 1.142 189 T CB -0.082 68.803 68.868 0.028 0.000 0.866 189 T HN 0.383 nan 8.240 nan 0.000 0.444 190 E N 0.932 121.131 120.200 -0.003 0.000 2.118 190 E HA -0.071 4.278 4.350 -0.002 0.000 0.195 190 E C 2.306 178.868 176.600 -0.062 0.000 0.992 190 E CA 0.705 57.090 56.400 -0.025 0.000 0.804 190 E CB -0.286 29.388 29.700 -0.043 0.000 0.741 190 E HN 0.429 nan 8.360 nan 0.000 0.458 191 I N 0.833 121.318 120.570 -0.141 0.000 2.202 191 I HA -0.233 3.936 4.170 -0.002 0.000 0.242 191 I C 2.525 178.370 176.117 -0.454 0.000 1.091 191 I CA 0.932 62.019 61.300 -0.355 0.000 1.368 191 I CB -0.968 36.767 38.000 -0.442 0.000 1.058 191 I HN 0.106 nan 8.210 nan 0.000 0.410 192 L N -0.020 121.114 121.223 -0.148 0.000 2.141 192 L HA -0.155 4.184 4.340 -0.002 0.000 0.209 192 L C 2.652 179.594 176.870 0.119 0.000 1.094 192 L CA 0.657 55.552 54.840 0.092 0.000 0.763 192 L CB -0.642 41.535 42.059 0.196 0.000 0.908 192 L HN 0.029 nan 8.230 nan 0.000 0.437 193 V N -0.874 119.077 119.914 0.063 0.000 2.343 193 V HA -0.330 3.789 4.120 -0.002 0.000 0.247 193 V C 2.237 178.383 176.094 0.087 0.000 1.051 193 V CA 1.864 64.205 62.300 0.069 0.000 1.036 193 V CB -0.607 31.245 31.823 0.049 0.000 0.654 193 V HN 0.408 nan 8.190 nan 0.000 0.451 194 Y N -0.245 120.025 120.300 -0.050 0.000 2.200 194 Y HA -0.226 4.323 4.550 -0.002 0.000 0.290 194 Y C 2.244 178.203 175.900 0.097 0.000 1.137 194 Y CA 1.529 59.613 58.100 -0.028 0.000 1.163 194 Y CB -0.278 38.116 38.460 -0.110 0.000 0.988 194 Y HN 0.198 nan 8.280 nan 0.000 0.518 195 F N 0.844 120.883 119.950 0.147 0.000 2.095 195 F HA -0.268 4.258 4.527 -0.002 0.000 0.298 195 F C 2.597 178.379 175.800 -0.030 0.000 1.104 195 F CA 1.628 59.668 58.000 0.067 0.000 1.232 195 F CB -1.226 37.839 39.000 0.109 0.000 0.987 195 F HN 0.226 nan 8.300 nan 0.000 0.475 196 D N 0.241 120.752 120.400 0.185 0.000 2.117 196 D HA -0.179 4.460 4.640 -0.002 0.000 0.197 196 D C 1.898 178.197 176.300 -0.002 0.000 0.987 196 D CA 1.315 55.361 54.000 0.076 0.000 0.829 196 D CB 0.004 40.844 40.800 0.067 0.000 0.961 196 D HN 0.413 nan 8.370 nan 0.000 0.460 197 E N -0.184 119.979 120.200 -0.062 0.000 2.150 197 E HA -0.160 4.189 4.350 -0.002 0.000 0.193 197 E C 2.116 178.606 176.600 -0.184 0.000 0.985 197 E CA 0.288 56.607 56.400 -0.135 0.000 0.814 197 E CB 0.050 29.633 29.700 -0.194 0.000 0.752 197 E HN 0.187 nan 8.360 nan 0.000 0.466 198 L N 0.768 121.848 121.223 -0.239 0.000 2.109 198 L HA -0.073 4.266 4.340 -0.002 0.000 0.207 198 L C 1.997 178.827 176.870 -0.066 0.000 1.086 198 L CA 1.189 55.921 54.840 -0.180 0.000 0.760 198 L CB -0.065 41.913 42.059 -0.134 0.000 0.910 198 L HN 0.088 nan 8.230 nan 0.000 0.437 199 I N -1.076 119.474 120.570 -0.033 0.000 2.226 199 I HA -0.327 3.842 4.170 -0.002 0.000 0.245 199 I C 2.148 178.249 176.117 -0.027 0.000 1.100 199 I CA 1.748 63.033 61.300 -0.024 0.000 1.374 199 I CB -0.621 37.374 38.000 -0.009 0.000 1.057 199 I HN 0.256 nan 8.210 nan 0.000 0.413 200 T N 0.647 115.183 114.554 -0.031 0.000 2.746 200 T HA -0.161 4.188 4.350 -0.002 0.000 0.267 200 T C 2.012 176.694 174.700 -0.029 0.000 1.039 200 T CA 1.446 63.529 62.100 -0.027 0.000 1.142 200 T CB -0.357 68.495 68.868 -0.028 0.000 0.866 200 T HN 0.481 nan 8.240 nan 0.000 0.444 201 A N 1.530 124.326 122.820 -0.040 0.000 1.968 201 A HA -0.020 4.299 4.320 -0.002 0.000 0.217 201 A C 2.327 179.897 177.584 -0.023 0.000 1.169 201 A CA 0.800 52.817 52.037 -0.034 0.000 0.638 201 A CB -0.222 18.751 19.000 -0.045 0.000 0.812 201 A HN 0.189 nan 8.150 nan 0.000 0.446 202 R N -0.624 119.861 120.500 -0.024 0.000 2.275 202 R HA 0.114 4.453 4.340 -0.002 0.000 0.199 202 R C 1.799 178.089 176.300 -0.017 0.000 0.989 202 R CA 0.154 56.243 56.100 -0.018 0.000 1.016 202 R CB -0.309 29.980 30.300 -0.018 0.000 0.918 202 R HN 0.422 nan 8.270 nan 0.000 0.473 203 R N 0.813 121.302 120.500 -0.018 0.000 2.073 203 R HA -0.049 4.290 4.340 -0.002 0.000 0.229 203 R C 2.067 178.360 176.300 -0.012 0.000 1.120 203 R CA 1.013 57.104 56.100 -0.015 0.000 0.967 203 R CB -0.124 30.167 30.300 -0.014 0.000 0.862 203 R HN 0.176 nan 8.270 nan 0.000 0.436 204 K N 0.745 121.138 120.400 -0.012 0.000 2.076 204 K HA -0.071 4.248 4.320 -0.002 0.000 0.204 204 K C 0.305 176.900 176.600 -0.008 0.000 1.051 204 K CA 0.985 57.266 56.287 -0.010 0.000 0.949 204 K CB 0.299 32.793 32.500 -0.010 0.000 0.726 204 K HN -0.029 nan 8.250 nan 0.000 0.443 205 E N 1.515 121.709 120.200 -0.009 0.000 2.518 205 E HA 0.259 4.608 4.350 -0.002 0.000 0.240 205 E C -2.637 173.959 176.600 -0.007 0.000 0.996 205 E CA -2.565 53.831 56.400 -0.006 0.000 0.768 205 E CB 1.542 31.239 29.700 -0.004 0.000 1.329 205 E HN 0.082 nan 8.360 nan 0.000 0.408 206 P HA 0.285 nan 4.420 nan 0.000 0.278 206 P C -0.182 177.115 177.300 -0.005 0.000 1.238 206 P CA -0.200 62.895 63.100 -0.008 0.000 0.794 206 P CB 1.668 33.362 31.700 -0.010 0.000 0.955 207 G N 0.246 109.043 108.800 -0.005 0.000 3.247 207 G HA2 0.356 4.315 3.960 -0.002 0.000 0.199 207 G HA3 0.356 4.315 3.960 -0.002 0.000 0.199 207 G C -1.246 173.652 174.900 -0.004 0.000 1.172 207 G CA -0.198 44.901 45.100 -0.002 0.000 0.844 207 G HN 0.393 nan 8.290 nan 0.000 0.619 208 D N 1.084 121.483 120.400 -0.002 0.000 2.514 208 D HA 0.336 4.975 4.640 -0.002 0.000 0.267 208 D C -0.762 175.537 176.300 -0.003 0.000 1.165 208 D CA -0.489 53.509 54.000 -0.004 0.000 0.958 208 D CB -0.162 40.636 40.800 -0.003 0.000 0.992 208 D HN 0.433 nan 8.370 nan 0.000 0.506 209 D N 0.437 120.833 120.400 -0.006 0.000 2.677 209 D HA 0.004 4.643 4.640 -0.002 0.000 0.298 209 D C 0.821 177.110 176.300 -0.019 0.000 1.250 209 D CA -0.674 53.322 54.000 -0.006 0.000 0.888 209 D CB 0.835 41.639 40.800 0.006 0.000 1.397 209 D HN 0.097 nan 8.370 nan 0.000 0.461 210 L N 0.741 121.948 121.223 -0.025 0.000 2.056 210 L HA -0.099 4.240 4.340 -0.002 0.000 0.207 210 L C 2.112 178.946 176.870 -0.060 0.000 1.078 210 L CA 1.649 56.462 54.840 -0.046 0.000 0.749 210 L CB -0.379 41.646 42.059 -0.057 0.000 0.901 210 L HN 0.473 nan 8.230 nan 0.000 0.433 211 V N -0.943 118.934 119.914 -0.062 0.000 2.295 211 V HA -0.271 3.848 4.120 -0.002 0.000 0.246 211 V C 2.567 178.633 176.094 -0.046 0.000 1.049 211 V CA 1.917 64.175 62.300 -0.069 0.000 1.024 211 V CB -0.926 30.865 31.823 -0.055 0.000 0.648 211 V HN 0.496 nan 8.190 nan 0.000 0.447 212 S N -0.028 115.653 115.700 -0.031 0.000 2.368 212 S HA -0.202 4.267 4.470 -0.002 0.000 0.225 212 S C 2.084 176.668 174.600 -0.027 0.000 1.030 212 S CA 1.984 60.170 58.200 -0.024 0.000 0.999 212 S CB -0.466 62.724 63.200 -0.016 0.000 0.844 212 S HN 0.719 nan 8.310 nan 0.000 0.459 213 T N 2.250 116.786 114.554 -0.031 0.000 2.788 213 T HA 0.021 4.370 4.350 -0.002 0.000 0.268 213 T C 1.603 176.282 174.700 -0.036 0.000 1.044 213 T CA 0.834 62.915 62.100 -0.032 0.000 1.139 213 T CB -0.260 68.587 68.868 -0.035 0.000 0.867 213 T HN 0.114 nan 8.240 nan 0.000 0.454 214 L N 1.419 122.616 121.223 -0.044 0.000 2.131 214 L HA 0.040 4.379 4.340 -0.002 0.000 0.206 214 L C 2.677 179.525 176.870 -0.038 0.000 1.087 214 L CA 1.008 55.820 54.840 -0.046 0.000 0.767 214 L CB -0.776 41.247 42.059 -0.061 0.000 0.917 214 L HN 0.280 nan 8.230 nan 0.000 0.441 215 V N -4.293 115.600 119.914 -0.035 0.000 2.951 215 V HA -0.082 4.037 4.120 -0.002 0.000 0.255 215 V C 2.264 178.345 176.094 -0.022 0.000 1.088 215 V CA 1.382 63.666 62.300 -0.028 0.000 1.109 215 V CB -1.462 30.345 31.823 -0.026 0.000 0.724 215 V HN 0.529 nan 8.190 nan 0.000 0.471 216 T N -2.209 112.331 114.554 -0.023 0.000 2.915 216 T HA -0.130 4.219 4.350 -0.002 0.000 0.269 216 T C 0.979 175.668 174.700 -0.019 0.000 1.071 216 T CA 1.117 63.205 62.100 -0.019 0.000 1.132 216 T CB -0.637 68.220 68.868 -0.019 0.000 0.878 216 T HN 0.543 nan 8.240 nan 0.000 0.479 217 D N 3.146 123.533 120.400 -0.022 0.000 2.342 217 D HA -0.003 4.636 4.640 -0.002 0.000 0.260 217 D C 0.633 176.922 176.300 -0.018 0.000 1.278 217 D CA -0.045 53.943 54.000 -0.021 0.000 0.910 217 D CB 0.641 41.427 40.800 -0.024 0.000 1.079 217 D HN 0.467 nan 8.370 nan 0.000 0.496 218 D N 2.203 122.594 120.400 -0.015 0.000 2.348 218 D HA -0.179 4.460 4.640 -0.002 0.000 0.216 218 D C 1.039 177.332 176.300 -0.012 0.000 0.970 218 D CA 0.182 54.174 54.000 -0.013 0.000 0.889 218 D CB 0.168 40.962 40.800 -0.011 0.000 0.912 218 D HN 0.338 nan 8.370 nan 0.000 0.524 219 D N -0.439 119.953 120.400 -0.013 0.000 2.234 219 D HA -0.018 4.621 4.640 -0.002 0.000 0.205 219 D C 0.132 176.425 176.300 -0.011 0.000 0.962 219 D CA 0.210 54.203 54.000 -0.012 0.000 0.855 219 D CB 0.101 40.894 40.800 -0.012 0.000 0.951 219 D HN 0.048 nan 8.370 nan 0.000 0.500 220 L N 1.156 122.371 121.223 -0.014 0.000 2.331 220 L HA 0.246 4.585 4.340 -0.002 0.000 0.278 220 L C 0.975 177.838 176.870 -0.012 0.000 1.106 220 L CA -0.145 54.686 54.840 -0.014 0.000 0.824 220 L CB 1.213 43.260 42.059 -0.019 0.000 1.142 220 L HN 0.003 nan 8.230 nan 0.000 0.443 221 T N -0.288 114.261 114.554 -0.009 0.000 2.754 221 T HA 0.208 4.557 4.350 -0.002 0.000 0.286 221 T C 1.378 176.074 174.700 -0.006 0.000 0.997 221 T CA -0.470 61.626 62.100 -0.006 0.000 0.982 221 T CB 0.574 69.441 68.868 -0.002 0.000 1.027 221 T HN 0.546 nan 8.240 nan 0.000 0.529 222 I N -0.064 120.505 120.570 -0.002 0.000 2.454 222 I HA -0.131 4.038 4.170 -0.002 0.000 0.254 222 I C 2.000 178.121 176.117 0.006 0.000 1.156 222 I CA 1.686 62.986 61.300 0.000 0.000 1.433 222 I CB -0.214 37.789 38.000 0.005 0.000 1.082 222 I HN 0.781 nan 8.210 nan 0.000 0.432 223 D N 0.615 121.020 120.400 0.008 0.000 2.149 223 D HA -0.189 4.450 4.640 -0.002 0.000 0.201 223 D C 1.754 178.058 176.300 0.008 0.000 0.972 223 D CA 1.177 55.185 54.000 0.013 0.000 0.835 223 D CB 0.003 40.810 40.800 0.012 0.000 0.966 223 D HN 0.329 nan 8.370 nan 0.000 0.476 224 D N -0.430 119.969 120.400 -0.001 0.000 2.117 224 D HA -0.103 4.536 4.640 -0.002 0.000 0.198 224 D C 2.257 178.547 176.300 -0.017 0.000 0.982 224 D CA 0.565 54.560 54.000 -0.007 0.000 0.828 224 D CB -0.169 40.625 40.800 -0.010 0.000 0.967 224 D HN 0.147 nan 8.370 nan 0.000 0.464 225 V N 1.169 121.070 119.914 -0.023 0.000 2.295 225 V HA -0.207 3.912 4.120 -0.002 0.000 0.246 225 V C 2.531 178.590 176.094 -0.059 0.000 1.049 225 V CA 1.019 63.292 62.300 -0.045 0.000 1.024 225 V CB -0.458 31.339 31.823 -0.042 0.000 0.648 225 V HN 0.107 nan 8.190 nan 0.000 0.447 226 L N -0.701 120.509 121.223 -0.022 0.000 2.046 226 L HA -0.138 4.201 4.340 -0.002 0.000 0.208 226 L C 2.145 179.031 176.870 0.027 0.000 1.077 226 L CA 1.892 56.738 54.840 0.011 0.000 0.747 226 L CB -0.450 41.650 42.059 0.067 0.000 0.896 226 L HN 0.172 nan 8.230 nan 0.000 0.432 227 L N -0.411 120.827 121.223 0.025 0.000 2.156 227 L HA -0.117 4.222 4.340 -0.002 0.000 0.208 227 L C 2.217 179.100 176.870 0.022 0.000 1.095 227 L CA 1.372 56.236 54.840 0.039 0.000 0.770 227 L CB -0.955 41.118 42.059 0.024 0.000 0.914 227 L HN 0.362 nan 8.230 nan 0.000 0.439 228 N N -1.820 116.871 118.700 -0.015 0.000 2.416 228 N HA -0.080 4.659 4.740 -0.002 0.000 0.177 228 N C 1.796 177.264 175.510 -0.071 0.000 1.036 228 N CA 0.964 53.996 53.050 -0.030 0.000 0.901 228 N CB -0.038 38.427 38.487 -0.037 0.000 0.976 228 N HN 0.343 nan 8.380 nan 0.000 0.444 229 C N 0.616 119.828 119.300 -0.147 0.000 2.440 229 C HA -0.065 4.394 4.460 -0.002 0.000 0.278 229 C C 2.445 177.334 174.990 -0.169 0.000 1.295 229 C CA 0.343 59.166 59.018 -0.325 0.000 1.738 229 C CB -0.769 26.542 27.740 -0.716 0.000 1.987 229 C HN 0.418 nan 8.230 nan 0.000 0.492 230 D N 0.549 120.971 120.400 0.036 0.000 2.144 230 D HA -0.115 4.524 4.640 -0.002 0.000 0.200 230 D C 1.912 178.329 176.300 0.195 0.000 0.978 230 D CA 1.098 55.257 54.000 0.265 0.000 0.833 230 D CB -0.587 40.394 40.800 0.302 0.000 0.961 230 D HN 0.553 nan 8.370 nan 0.000 0.470 231 N N -0.968 117.789 118.700 0.096 0.000 2.166 231 N HA -0.139 4.600 4.740 -0.002 0.000 0.186 231 N C 1.686 177.218 175.510 0.037 0.000 1.019 231 N CA 1.047 54.135 53.050 0.063 0.000 0.856 231 N CB 0.226 38.733 38.487 0.033 0.000 0.993 231 N HN -0.011 nan 8.380 nan 0.000 0.426 232 V N 0.908 120.834 119.914 0.019 0.000 2.453 232 V HA -0.151 3.968 4.120 -0.002 0.000 0.247 232 V C 2.170 178.280 176.094 0.027 0.000 1.048 232 V CA 0.962 63.264 62.300 0.003 0.000 1.049 232 V CB -0.463 31.346 31.823 -0.023 0.000 0.672 232 V HN 0.356 nan 8.190 nan 0.000 0.457 233 L N 0.147 121.433 121.223 0.105 0.000 1.994 233 L HA -0.144 4.195 4.340 -0.002 0.000 0.208 233 L C 2.187 179.036 176.870 -0.034 0.000 1.071 233 L CA 2.061 56.997 54.840 0.161 0.000 0.745 233 L CB -0.410 41.886 42.059 0.396 0.000 0.892 233 L HN 0.205 nan 8.230 nan 0.000 0.431 234 I N -0.471 120.101 120.570 0.003 0.000 2.163 234 I HA -0.195 3.974 4.170 -0.002 0.000 0.240 234 I C 2.542 178.489 176.117 -0.284 0.000 1.081 234 I CA 1.362 62.520 61.300 -0.237 0.000 1.353 234 I CB -1.244 36.826 38.000 0.116 0.000 1.054 234 I HN 0.417 nan 8.210 nan 0.000 0.407 235 G N 0.429 109.164 108.800 -0.108 0.000 2.440 235 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.218 235 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.218 235 G C 1.668 176.512 174.900 -0.094 0.000 1.154 235 G CA 0.905 45.958 45.100 -0.079 0.000 0.767 235 G HN 0.524 nan 8.290 nan 0.000 0.552 236 G N -0.658 108.083 108.800 -0.099 0.000 2.813 236 G HA2 0.012 3.971 3.960 -0.002 0.000 0.209 236 G HA3 0.012 3.971 3.960 -0.002 0.000 0.209 236 G C 1.479 176.308 174.900 -0.117 0.000 1.150 236 G CA 0.645 45.700 45.100 -0.075 0.000 0.785 236 G HN 0.405 nan 8.290 nan 0.000 0.535 237 N N -0.398 118.151 118.700 -0.253 0.000 2.594 237 N HA 0.005 4.744 4.740 -0.002 0.000 0.237 237 N C 1.702 176.986 175.510 -0.377 0.000 1.057 237 N CA 0.153 53.015 53.050 -0.314 0.000 0.883 237 N CB 0.242 38.505 38.487 -0.374 0.000 1.538 237 N HN 0.329 nan 8.380 nan 0.000 0.451 238 E N 0.867 120.707 120.200 -0.600 0.000 2.085 238 E HA -0.152 4.197 4.350 -0.002 0.000 0.194 238 E C 1.500 178.077 176.600 -0.037 0.000 0.994 238 E CA 1.926 58.125 56.400 -0.335 0.000 0.801 238 E CB 0.230 29.753 29.700 -0.296 0.000 0.743 238 E HN 0.442 nan 8.360 nan 0.000 0.453 239 T N -2.824 111.708 114.554 -0.038 0.000 2.953 239 T HA -0.007 4.342 4.350 -0.002 0.000 0.247 239 T C 2.032 176.772 174.700 0.067 0.000 1.029 239 T CA 1.103 63.248 62.100 0.075 0.000 1.144 239 T CB -0.588 68.307 68.868 0.045 0.000 0.870 239 T HN -0.016 nan 8.240 nan 0.000 0.446 240 T N 3.047 117.606 114.554 0.008 0.000 2.759 240 T HA -0.150 4.199 4.350 -0.002 0.000 0.269 240 T C 2.129 176.828 174.700 -0.001 0.000 1.042 240 T CA 1.729 63.846 62.100 0.029 0.000 1.140 240 T CB -0.424 68.454 68.868 0.018 0.000 0.864 240 T HN 0.670 nan 8.240 nan 0.000 0.455 241 R N 1.023 121.459 120.500 -0.107 0.000 2.105 241 R HA -0.166 4.173 4.340 -0.002 0.000 0.239 241 R C 2.017 178.233 176.300 -0.140 0.000 1.135 241 R CA 1.797 57.791 56.100 -0.176 0.000 0.967 241 R CB -0.805 29.318 30.300 -0.295 0.000 0.861 241 R HN 0.472 nan 8.270 nan 0.000 0.442 242 H N 0.432 119.595 119.070 0.154 0.000 2.482 242 H HA 0.211 4.766 4.556 -0.001 0.000 0.286 242 H C 2.174 177.670 175.328 0.280 0.000 1.017 242 H CA 1.091 57.308 56.048 0.282 0.000 1.322 242 H CB 0.029 30.002 29.762 0.351 0.000 1.426 242 H HN 0.450 nan 8.280 nan 0.000 0.546 243 A N 1.513 124.497 122.820 0.273 0.000 1.929 243 A HA -0.074 4.245 4.320 -0.002 0.000 0.216 243 A C 2.339 180.028 177.584 0.175 0.000 1.176 243 A CA 0.802 52.974 52.037 0.225 0.000 0.628 243 A CB -0.317 18.775 19.000 0.153 0.000 0.816 243 A HN 0.132 nan 8.150 nan 0.000 0.444 244 I N 0.261 120.896 120.570 0.108 0.000 2.202 244 I HA -0.158 4.011 4.170 -0.002 0.000 0.242 244 I C 2.445 178.581 176.117 0.032 0.000 1.091 244 I CA 1.946 63.286 61.300 0.066 0.000 1.368 244 I CB -2.000 36.019 38.000 0.032 0.000 1.058 244 I HN 0.238 nan 8.210 nan 0.000 0.410 245 T N 0.925 115.463 114.554 -0.027 0.000 2.788 245 T HA -0.099 4.250 4.350 -0.002 0.000 0.268 245 T C 1.964 176.498 174.700 -0.276 0.000 1.044 245 T CA 1.436 63.404 62.100 -0.219 0.000 1.139 245 T CB -0.713 67.912 68.868 -0.405 0.000 0.867 245 T HN 0.529 nan 8.240 nan 0.000 0.454 246 G N 1.035 109.826 108.800 -0.015 0.000 2.422 246 G HA2 -0.013 3.946 3.960 -0.002 0.000 0.218 246 G HA3 -0.013 3.946 3.960 -0.002 0.000 0.218 246 G C 1.805 176.874 174.900 0.281 0.000 1.146 246 G CA 0.815 46.117 45.100 0.337 0.000 0.769 246 G HN 0.582 nan 8.290 nan 0.000 0.547 247 A N 0.218 123.139 122.820 0.167 0.000 1.898 247 A HA 0.092 4.411 4.320 -0.002 0.000 0.216 247 A C 2.586 180.185 177.584 0.025 0.000 1.181 247 A CA 1.771 53.864 52.037 0.094 0.000 0.620 247 A CB -0.547 18.512 19.000 0.099 0.000 0.819 247 A HN 0.252 nan 8.150 nan 0.000 0.442 248 V N -0.454 119.484 119.914 0.040 0.000 2.358 248 V HA -0.254 3.865 4.120 -0.002 0.000 0.246 248 V C 2.493 178.588 176.094 0.002 0.000 1.047 248 V CA 2.392 64.709 62.300 0.028 0.000 1.035 248 V CB -1.056 30.807 31.823 0.065 0.000 0.658 248 V HN 0.814 nan 8.190 nan 0.000 0.452 249 H N 1.033 120.058 119.070 -0.075 0.000 2.353 249 H HA -0.089 4.466 4.556 -0.002 0.000 0.300 249 H C 2.142 177.439 175.328 -0.051 0.000 1.090 249 H CA 1.764 57.802 56.048 -0.017 0.000 1.327 249 H CB -0.292 29.546 29.762 0.127 0.000 1.383 249 H HN 0.346 nan 8.280 nan 0.000 0.508 250 A N 0.427 123.103 122.820 -0.240 0.000 1.898 250 A HA -0.057 4.262 4.320 -0.002 0.000 0.216 250 A C 2.555 179.827 177.584 -0.520 0.000 1.181 250 A CA 1.379 53.025 52.037 -0.652 0.000 0.620 250 A CB -0.840 17.555 19.000 -1.009 0.000 0.819 250 A HN 0.459 nan 8.150 nan 0.000 0.442 251 L N -0.942 120.096 121.223 -0.308 0.000 2.275 251 L HA -0.134 4.205 4.340 -0.002 0.000 0.215 251 L C 2.823 179.579 176.870 -0.190 0.000 1.119 251 L CA 0.811 55.523 54.840 -0.213 0.000 0.790 251 L CB -0.331 41.662 42.059 -0.111 0.000 0.919 251 L HN 0.452 nan 8.230 nan 0.000 0.443 252 A N -0.449 122.256 122.820 -0.192 0.000 2.030 252 A HA -0.065 4.254 4.320 -0.002 0.000 0.215 252 A C 2.303 179.793 177.584 -0.155 0.000 1.164 252 A CA 1.446 53.388 52.037 -0.159 0.000 0.697 252 A CB -0.363 18.568 19.000 -0.115 0.000 0.827 252 A HN 0.445 nan 8.150 nan 0.000 0.457 253 T N -3.491 110.924 114.554 -0.232 0.000 3.046 253 T HA 0.207 4.556 4.350 -0.002 0.000 0.242 253 T C 0.476 175.044 174.700 -0.220 0.000 1.018 253 T CA 0.379 62.351 62.100 -0.214 0.000 1.131 253 T CB -0.603 68.100 68.868 -0.275 0.000 0.904 253 T HN -0.043 nan 8.240 nan 0.000 0.459 254 V N 4.972 124.693 119.914 -0.321 0.000 2.415 254 V HA 0.289 4.408 4.120 -0.002 0.000 0.267 254 V C -2.380 173.611 176.094 -0.172 0.000 1.042 254 V CA -1.746 60.388 62.300 -0.276 0.000 1.000 254 V CB 0.207 31.775 31.823 -0.425 0.000 1.015 254 V HN 0.342 nan 8.190 nan 0.000 0.478 255 P HA 0.323 nan 4.420 nan 0.000 0.271 255 P C 0.991 178.257 177.300 -0.056 0.000 1.220 255 P CA 0.800 63.857 63.100 -0.073 0.000 0.768 255 P CB 0.945 32.615 31.700 -0.050 0.000 0.848 256 G N 2.255 111.025 108.800 -0.050 0.000 2.205 256 G HA2 -0.342 3.617 3.960 -0.002 0.000 0.261 256 G HA3 -0.342 3.617 3.960 -0.002 0.000 0.261 256 G C 0.705 175.587 174.900 -0.031 0.000 0.980 256 G CA 0.347 45.428 45.100 -0.032 0.000 0.632 256 G HN 0.553 nan 8.290 nan 0.000 0.533 257 L N 0.244 121.435 121.223 -0.052 0.000 2.017 257 L HA 0.225 4.564 4.340 -0.002 0.000 0.208 257 L C 2.551 179.401 176.870 -0.033 0.000 1.073 257 L CA 2.887 57.699 54.840 -0.046 0.000 0.745 257 L CB -0.482 41.508 42.059 -0.115 0.000 0.894 257 L HN 0.384 nan 8.230 nan 0.000 0.432 258 L N -1.117 120.078 121.223 -0.047 0.000 2.093 258 L HA -0.161 4.178 4.340 -0.002 0.000 0.208 258 L C 2.299 179.164 176.870 -0.009 0.000 1.085 258 L CA 2.341 57.166 54.840 -0.026 0.000 0.755 258 L CB -0.882 41.158 42.059 -0.031 0.000 0.904 258 L HN 0.353 nan 8.230 nan 0.000 0.435 259 T N -0.467 114.080 114.554 -0.012 0.000 2.777 259 T HA -0.091 4.258 4.350 -0.002 0.000 0.266 259 T C 1.914 176.615 174.700 0.002 0.000 1.040 259 T CA 1.129 63.227 62.100 -0.004 0.000 1.141 259 T CB -0.511 68.353 68.868 -0.007 0.000 0.868 259 T HN 0.474 nan 8.240 nan 0.000 0.444 260 A N 1.164 123.985 122.820 0.002 0.000 1.933 260 A HA 0.041 4.360 4.320 -0.002 0.000 0.218 260 A C 2.263 179.856 177.584 0.016 0.000 1.175 260 A CA 1.129 53.172 52.037 0.010 0.000 0.628 260 A CB -0.809 18.199 19.000 0.013 0.000 0.814 260 A HN 0.468 nan 8.150 nan 0.000 0.444 261 L N -1.336 119.898 121.223 0.017 0.000 2.156 261 L HA -0.087 4.252 4.340 -0.002 0.000 0.208 261 L C 2.739 179.621 176.870 0.020 0.000 1.095 261 L CA 1.291 56.145 54.840 0.023 0.000 0.770 261 L CB -0.339 41.736 42.059 0.027 0.000 0.914 261 L HN 0.446 nan 8.230 nan 0.000 0.439 262 R N 0.671 121.180 120.500 0.015 0.000 2.066 262 R HA -0.183 4.156 4.340 -0.002 0.000 0.232 262 R C 1.837 178.144 176.300 0.013 0.000 1.131 262 R CA 2.108 58.216 56.100 0.014 0.000 0.955 262 R CB -0.134 30.172 30.300 0.011 0.000 0.851 262 R HN 0.505 nan 8.270 nan 0.000 0.432 263 D N -2.043 118.364 120.400 0.011 0.000 2.289 263 D HA 0.057 4.696 4.640 -0.002 0.000 0.207 263 D C 1.093 177.400 176.300 0.012 0.000 0.966 263 D CA 0.999 55.005 54.000 0.010 0.000 0.868 263 D CB 0.131 40.935 40.800 0.008 0.000 0.943 263 D HN 0.439 nan 8.370 nan 0.000 0.514 264 G N -0.255 108.554 108.800 0.015 0.000 2.148 264 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.203 264 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.203 264 G C 1.077 175.987 174.900 0.017 0.000 0.993 264 G CA 0.630 45.740 45.100 0.017 0.000 0.661 264 G HN 0.612 nan 8.290 nan 0.000 0.518 265 S N -1.018 114.691 115.700 0.015 0.000 2.489 265 S HA 0.602 5.071 4.470 -0.002 0.000 0.228 265 S C 1.205 175.816 174.600 0.019 0.000 0.995 265 S CA 1.327 59.536 58.200 0.015 0.000 0.934 265 S CB 0.414 63.621 63.200 0.012 0.000 0.771 265 S HN 1.923 nan 8.310 nan 0.000 0.522 266 A N 1.327 124.161 122.820 0.023 0.000 2.318 266 A HA 0.613 4.932 4.320 -0.002 0.000 0.324 266 A C -0.803 176.801 177.584 0.034 0.000 1.170 266 A CA -0.651 51.404 52.037 0.030 0.000 0.810 266 A CB 0.776 19.800 19.000 0.040 0.000 1.198 266 A HN 0.262 nan 8.150 nan 0.000 0.484 267 D N 1.955 122.375 120.400 0.034 0.000 2.348 267 D HA 0.185 4.824 4.640 -0.002 0.000 0.253 267 D C 1.100 177.428 176.300 0.047 0.000 1.161 267 D CA 0.268 54.290 54.000 0.036 0.000 0.876 267 D CB 1.372 42.192 40.800 0.033 0.000 1.160 267 D HN 0.210 nan 8.370 nan 0.000 0.459 268 V N 3.862 123.804 119.914 0.048 0.000 2.343 268 V HA -0.199 3.920 4.120 -0.002 0.000 0.247 268 V C 1.148 177.284 176.094 0.069 0.000 1.051 268 V CA 1.969 64.304 62.300 0.058 0.000 1.036 268 V CB -0.279 31.574 31.823 0.051 0.000 0.654 268 V HN 0.616 nan 8.190 nan 0.000 0.451 269 D N -0.479 119.960 120.400 0.064 0.000 2.183 269 D HA -0.094 4.545 4.640 -0.002 0.000 0.203 269 D C 2.253 178.602 176.300 0.082 0.000 0.969 269 D CA 1.758 55.805 54.000 0.077 0.000 0.842 269 D CB -0.366 40.475 40.800 0.069 0.000 0.957 269 D HN 0.505 nan 8.370 nan 0.000 0.484 270 T N 0.597 115.190 114.554 0.064 0.000 2.777 270 T HA -0.103 4.246 4.350 -0.002 0.000 0.266 270 T C 2.272 176.993 174.700 0.035 0.000 1.040 270 T CA 1.441 63.572 62.100 0.051 0.000 1.141 270 T CB -0.277 68.611 68.868 0.033 0.000 0.868 270 T HN 0.173 nan 8.240 nan 0.000 0.444 271 V N 0.108 120.054 119.914 0.053 0.000 2.548 271 V HA -0.053 4.066 4.120 -0.002 0.000 0.249 271 V C 2.391 178.554 176.094 0.115 0.000 1.055 271 V CA 0.937 63.284 62.300 0.078 0.000 1.065 271 V CB -1.301 30.617 31.823 0.159 0.000 0.681 271 V HN 0.290 nan 8.190 nan 0.000 0.462 272 V N 0.699 120.683 119.914 0.116 0.000 2.287 272 V HA -0.189 3.930 4.120 -0.002 0.000 0.248 272 V C 2.980 179.144 176.094 0.118 0.000 1.053 272 V CA 2.418 64.798 62.300 0.133 0.000 1.027 272 V CB -0.797 31.108 31.823 0.136 0.000 0.646 272 V HN 0.554 nan 8.190 nan 0.000 0.447 273 E N -0.181 120.094 120.200 0.126 0.000 2.153 273 E HA -0.235 4.114 4.350 -0.002 0.000 0.194 273 E C 2.172 178.773 176.600 0.001 0.000 0.988 273 E CA 1.324 57.824 56.400 0.166 0.000 0.811 273 E CB -0.198 29.651 29.700 0.247 0.000 0.746 273 E HN 0.678 nan 8.360 nan 0.000 0.466 274 E N 0.706 120.862 120.200 -0.074 0.000 2.107 274 E HA -0.086 4.263 4.350 -0.002 0.000 0.191 274 E C 2.062 178.577 176.600 -0.141 0.000 0.982 274 E CA 0.605 56.837 56.400 -0.281 0.000 0.809 274 E CB -0.095 29.197 29.700 -0.681 0.000 0.756 274 E HN -0.004 nan 8.360 nan 0.000 0.459 275 V N 0.787 120.769 119.914 0.114 0.000 2.332 275 V HA -0.266 3.853 4.120 -0.002 0.000 0.248 275 V C 2.454 178.671 176.094 0.205 0.000 1.055 275 V CA 1.758 64.285 62.300 0.379 0.000 1.038 275 V CB -0.520 31.502 31.823 0.331 0.000 0.651 275 V HN 0.300 nan 8.190 nan 0.000 0.450 276 L N -0.497 120.704 121.223 -0.036 0.000 2.017 276 L HA -0.194 4.145 4.340 -0.002 0.000 0.208 276 L C 2.769 179.388 176.870 -0.419 0.000 1.073 276 L CA 1.948 56.613 54.840 -0.291 0.000 0.745 276 L CB -0.606 41.142 42.059 -0.519 0.000 0.894 276 L HN 0.249 nan 8.230 nan 0.000 0.432 277 R N -0.205 120.008 120.500 -0.479 0.000 2.066 277 R HA -0.231 4.108 4.340 -0.002 0.000 0.232 277 R C 2.345 178.568 176.300 -0.128 0.000 1.131 277 R CA 1.865 57.751 56.100 -0.358 0.000 0.955 277 R CB -0.493 29.613 30.300 -0.324 0.000 0.851 277 R HN 0.582 nan 8.270 nan 0.000 0.432 278 W N 2.079 123.282 121.300 -0.163 0.000 2.381 278 W HA -0.172 4.487 4.660 -0.002 0.000 0.301 278 W C 1.511 178.073 176.519 0.072 0.000 1.205 278 W CA 2.090 59.429 57.345 -0.011 0.000 1.285 278 W CB -0.408 29.157 29.460 0.174 0.000 1.133 278 W HN 0.210 nan 8.180 nan 0.000 0.521 279 T N -1.109 113.487 114.554 0.070 0.000 2.894 279 T HA 0.004 4.353 4.350 -0.002 0.000 0.258 279 T C 1.143 175.820 174.700 -0.040 0.000 1.043 279 T CA 0.887 62.998 62.100 0.018 0.000 1.141 279 T CB -0.947 68.069 68.868 0.247 0.000 0.873 279 T HN 0.032 nan 8.240 nan 0.000 0.449 280 S N 2.922 118.575 115.700 -0.079 0.000 3.292 280 S HA -0.072 4.397 4.470 -0.002 0.000 0.360 280 S C -1.672 172.883 174.600 -0.074 0.000 0.930 280 S CA 0.417 58.545 58.200 -0.120 0.000 1.317 280 S CB -1.139 61.978 63.200 -0.138 0.000 0.920 280 S HN 0.498 nan 8.310 nan 0.000 0.540 281 P HA 0.001 nan 4.420 nan 0.000 0.217 281 P C 0.596 177.895 177.300 -0.003 0.000 1.150 281 P CA 1.423 64.549 63.100 0.043 0.000 0.832 281 P CB 0.160 31.929 31.700 0.114 0.000 0.787 282 A N -0.256 122.530 122.820 -0.056 0.000 2.457 282 A HA 0.187 4.506 4.320 -0.002 0.000 0.298 282 A C 1.298 178.795 177.584 -0.144 0.000 1.288 282 A CA -0.158 51.818 52.037 -0.102 0.000 0.956 282 A CB -0.797 18.135 19.000 -0.114 0.000 1.135 282 A HN 0.080 nan 8.150 nan 0.000 0.535 283 M N 2.649 122.172 119.600 -0.128 0.000 2.200 283 M HA 0.001 4.480 4.480 -0.002 0.000 0.265 283 M C 0.686 176.872 176.300 -0.190 0.000 1.066 283 M CA 1.397 56.642 55.300 -0.090 0.000 1.127 283 M CB -0.020 32.612 32.600 0.052 0.000 1.379 283 M HN 0.921 nan 8.290 nan 0.000 0.420 284 H N -1.844 116.962 119.070 -0.440 0.000 3.037 284 H HA 0.546 5.101 4.556 -0.002 0.000 0.355 284 H C -1.798 173.247 175.328 -0.471 0.000 1.263 284 H CA -1.053 54.574 56.048 -0.701 0.000 1.129 284 H CB 0.995 29.942 29.762 -1.358 0.000 1.861 284 H HN -0.012 nan 8.280 nan 0.000 0.546 285 V N 1.025 120.671 119.914 -0.447 0.000 2.638 285 V HA 0.564 4.683 4.120 -0.002 0.000 0.306 285 V C -0.467 175.494 176.094 -0.223 0.000 1.052 285 V CA -0.954 61.140 62.300 -0.343 0.000 0.885 285 V CB 1.484 33.165 31.823 -0.236 0.000 0.999 285 V HN 0.756 nan 8.190 nan 0.000 0.424 286 L N 4.695 125.824 121.223 -0.157 0.000 2.334 286 L HA 0.852 5.191 4.340 -0.002 0.000 0.275 286 L C -0.278 176.554 176.870 -0.063 0.000 1.036 286 L CA -0.390 54.391 54.840 -0.099 0.000 0.807 286 L CB 1.326 43.341 42.059 -0.072 0.000 1.231 286 L HN 0.763 nan 8.230 nan 0.000 0.438 287 R N 3.344 123.836 120.500 -0.012 0.000 2.771 287 R HA 0.624 4.963 4.340 -0.002 0.000 0.274 287 R C -1.637 174.716 176.300 0.088 0.000 0.987 287 R CA -0.785 55.327 56.100 0.019 0.000 0.908 287 R CB 2.195 32.500 30.300 0.008 0.000 1.213 287 R HN 0.449 nan 8.270 nan 0.000 0.468 288 V N 1.647 121.635 119.914 0.122 0.000 2.448 288 V HA 0.268 4.387 4.120 -0.002 0.000 0.295 288 V C 0.382 176.566 176.094 0.150 0.000 1.025 288 V CA -0.825 61.575 62.300 0.165 0.000 0.859 288 V CB 1.846 33.814 31.823 0.243 0.000 0.988 288 V HN 0.931 nan 8.190 nan 0.000 0.431 289 T N 0.647 115.279 114.554 0.130 0.000 2.928 289 T HA 0.090 4.439 4.350 -0.002 0.000 0.305 289 T C 1.217 175.985 174.700 0.113 0.000 1.035 289 T CA 0.334 62.497 62.100 0.104 0.000 1.145 289 T CB 0.952 69.873 68.868 0.088 0.000 0.963 289 T HN 0.909 nan 8.240 nan 0.000 0.545 290 T N -0.035 114.580 114.554 0.102 0.000 3.031 290 T HA 0.510 4.859 4.350 -0.002 0.000 0.254 290 T C 0.794 175.543 174.700 0.082 0.000 1.060 290 T CA 0.136 62.302 62.100 0.111 0.000 1.135 290 T CB 0.038 68.969 68.868 0.105 0.000 0.896 290 T HN 1.073 nan 8.240 nan 0.000 0.472 291 A N 0.768 123.625 122.820 0.062 0.000 2.552 291 A HA 0.616 4.935 4.320 -0.002 0.000 0.288 291 A C -1.583 176.022 177.584 0.034 0.000 1.193 291 A CA -0.904 51.160 52.037 0.045 0.000 0.713 291 A CB 0.678 19.701 19.000 0.039 0.000 1.305 291 A HN 0.186 nan 8.150 nan 0.000 0.424 292 D N 0.709 121.123 120.400 0.023 0.000 2.401 292 D HA 0.382 5.021 4.640 -0.002 0.000 0.254 292 D C -0.675 175.627 176.300 0.004 0.000 1.192 292 D CA 0.758 54.765 54.000 0.011 0.000 0.885 292 D CB 1.324 42.127 40.800 0.006 0.000 1.147 292 D HN 0.393 nan 8.370 nan 0.000 0.478 293 V N 2.241 122.152 119.914 -0.006 0.000 3.012 293 V HA 0.358 4.477 4.120 -0.002 0.000 0.307 293 V C -0.830 175.239 176.094 -0.041 0.000 1.166 293 V CA -0.508 61.784 62.300 -0.014 0.000 0.974 293 V CB 2.647 34.469 31.823 -0.002 0.000 1.040 293 V HN 0.524 nan 8.190 nan 0.000 0.428 294 T N 7.311 121.839 114.554 -0.044 0.000 2.770 294 T HA 0.591 4.940 4.350 -0.002 0.000 0.297 294 T C -0.308 174.353 174.700 -0.066 0.000 0.997 294 T CA 0.077 62.136 62.100 -0.068 0.000 0.949 294 T CB 0.233 69.068 68.868 -0.055 0.000 0.941 294 T HN 0.465 nan 8.240 nan 0.000 0.457 295 I N 4.281 124.792 120.570 -0.100 0.000 2.336 295 I HA 0.305 4.474 4.170 -0.002 0.000 0.292 295 I C 0.715 176.782 176.117 -0.084 0.000 0.991 295 I CA -0.627 60.627 61.300 -0.078 0.000 1.227 295 I CB 1.073 39.029 38.000 -0.073 0.000 1.366 295 I HN 0.561 nan 8.210 nan 0.000 0.466 296 N N 4.341 123.018 118.700 -0.038 0.000 1.424 296 N HA -0.223 4.516 4.740 -0.002 0.000 0.147 296 N C 0.900 176.386 175.510 -0.039 0.000 0.709 296 N CA 2.067 55.105 53.050 -0.019 0.000 1.052 296 N CB -1.135 37.355 38.487 0.004 0.000 1.281 296 N HN 0.904 nan 8.380 nan 0.000 0.478 297 G N -0.172 108.596 108.800 -0.053 0.000 4.144 297 G HA2 0.462 4.421 3.960 -0.002 0.000 0.297 297 G HA3 0.462 4.421 3.960 -0.002 0.000 0.297 297 G C -0.258 174.579 174.900 -0.105 0.000 1.090 297 G CA -0.027 45.037 45.100 -0.060 0.000 0.870 297 G HN 0.392 nan 8.290 nan 0.000 0.532 298 R N 0.906 121.297 120.500 -0.182 0.000 2.534 298 R HA 0.398 4.737 4.340 -0.002 0.000 0.301 298 R C -1.331 174.815 176.300 -0.257 0.000 0.961 298 R CA -0.626 55.304 56.100 -0.284 0.000 0.871 298 R CB 1.062 31.011 30.300 -0.584 0.000 1.170 298 R HN -0.034 nan 8.270 nan 0.000 0.446 299 D N 4.540 124.826 120.400 -0.190 0.000 2.316 299 D HA 0.194 4.833 4.640 -0.002 0.000 0.245 299 D C -0.565 175.649 176.300 -0.143 0.000 1.171 299 D CA -0.007 53.913 54.000 -0.133 0.000 0.856 299 D CB 1.129 41.881 40.800 -0.080 0.000 1.090 299 D HN 0.162 nan 8.370 nan 0.000 0.476 300 L N 5.150 126.300 121.223 -0.121 0.000 2.341 300 L HA 0.380 4.719 4.340 -0.002 0.000 0.278 300 L C -2.051 174.811 176.870 -0.014 0.000 1.005 300 L CA -1.662 53.133 54.840 -0.076 0.000 0.818 300 L CB 1.932 43.934 42.059 -0.095 0.000 1.259 300 L HN 0.157 nan 8.230 nan 0.000 0.418 301 P HA 0.143 nan 4.420 nan 0.000 0.277 301 P C -0.542 176.785 177.300 0.045 0.000 1.271 301 P CA -0.586 62.529 63.100 0.026 0.000 0.795 301 P CB 0.878 32.595 31.700 0.027 0.000 1.101 302 S N -0.976 114.749 115.700 0.041 0.000 2.549 302 S HA 0.412 4.881 4.470 -0.002 0.000 0.279 302 S C 1.116 175.747 174.600 0.052 0.000 1.321 302 S CA 0.867 59.097 58.200 0.051 0.000 1.054 302 S CB -1.401 61.827 63.200 0.045 0.000 0.899 302 S HN 0.906 nan 8.310 nan 0.000 0.497 303 G N 3.291 112.126 108.800 0.060 0.000 2.142 303 G HA2 -0.189 3.770 3.960 -0.002 0.000 0.225 303 G HA3 -0.189 3.770 3.960 -0.002 0.000 0.225 303 G C -0.017 174.930 174.900 0.079 0.000 1.015 303 G CA 0.128 45.246 45.100 0.029 0.000 0.716 303 G HN 0.894 nan 8.290 nan 0.000 0.508 304 T N 1.949 116.584 114.554 0.134 0.000 2.767 304 T HA 0.560 4.909 4.350 -0.002 0.000 0.284 304 T C -2.513 172.341 174.700 0.257 0.000 0.973 304 T CA -1.153 61.082 62.100 0.225 0.000 0.996 304 T CB 2.359 71.382 68.868 0.258 0.000 0.927 304 T HN 0.069 nan 8.240 nan 0.000 0.456 305 P HA 0.354 nan 4.420 nan 0.000 0.276 305 P C -1.049 176.467 177.300 0.360 0.000 1.235 305 P CA -0.376 62.892 63.100 0.280 0.000 0.772 305 P CB 0.584 32.446 31.700 0.271 0.000 0.871 306 V N 4.545 124.609 119.914 0.250 0.000 2.656 306 V HA 0.450 4.569 4.120 -0.002 0.000 0.307 306 V C -0.091 176.071 176.094 0.114 0.000 1.051 306 V CA -0.731 61.720 62.300 0.252 0.000 0.893 306 V CB 2.446 34.380 31.823 0.185 0.000 0.999 306 V HN 0.188 nan 8.190 nan 0.000 0.426 307 V N 2.854 122.830 119.914 0.104 0.000 2.540 307 V HA 0.813 4.932 4.120 -0.002 0.000 0.302 307 V C 0.194 176.175 176.094 -0.188 0.000 1.035 307 V CA -0.592 61.633 62.300 -0.125 0.000 0.873 307 V CB 1.934 33.581 31.823 -0.293 0.000 0.992 307 V HN 1.032 nan 8.190 nan 0.000 0.428 308 A N 4.180 126.832 122.820 -0.281 0.000 2.258 308 A HA 0.652 4.971 4.320 -0.002 0.000 0.316 308 A C -1.150 176.201 177.584 -0.388 0.000 1.279 308 A CA -0.420 51.467 52.037 -0.250 0.000 0.876 308 A CB 0.218 19.128 19.000 -0.150 0.000 1.170 308 A HN 0.843 nan 8.150 nan 0.000 0.520 309 W N 4.228 125.321 121.300 -0.346 0.000 2.433 309 W HA 0.380 5.039 4.660 -0.001 0.000 0.331 309 W C 0.828 177.108 176.519 -0.399 0.000 1.110 309 W CA -0.333 56.771 57.345 -0.403 0.000 1.450 309 W CB 0.507 29.652 29.460 -0.526 0.000 1.348 309 W HN 0.650 nan 8.180 nan 0.000 0.415 310 L N 4.521 125.628 121.223 -0.193 0.000 2.056 310 L HA -0.116 4.223 4.340 -0.002 0.000 0.207 310 L C -0.376 176.382 176.870 -0.186 0.000 1.078 310 L CA 0.991 55.737 54.840 -0.157 0.000 0.749 310 L CB -1.601 40.374 42.059 -0.140 0.000 0.901 310 L HN 0.167 nan 8.230 nan 0.000 0.433 311 P HA -0.099 nan 4.420 nan 0.000 0.221 311 P C 1.442 178.580 177.300 -0.271 0.000 1.150 311 P CA 1.433 64.336 63.100 -0.329 0.000 0.800 311 P CB 0.046 31.460 31.700 -0.477 0.000 0.787 312 A N 0.298 122.843 122.820 -0.459 0.000 1.898 312 A HA -0.054 4.265 4.320 -0.002 0.000 0.216 312 A C 2.311 179.951 177.584 0.093 0.000 1.181 312 A CA 1.943 53.911 52.037 -0.115 0.000 0.620 312 A CB -1.542 17.421 19.000 -0.062 0.000 0.819 312 A HN 0.193 nan 8.150 nan 0.000 0.442 313 A N 0.078 122.945 122.820 0.079 0.000 1.969 313 A HA -0.123 4.196 4.320 -0.002 0.000 0.218 313 A C 1.676 179.465 177.584 0.342 0.000 1.169 313 A CA 1.552 53.715 52.037 0.209 0.000 0.635 313 A CB -0.496 18.583 19.000 0.133 0.000 0.810 313 A HN 0.500 nan 8.150 nan 0.000 0.445 314 N N -0.354 118.438 118.700 0.153 0.000 2.521 314 N HA 0.010 4.749 4.740 -0.002 0.000 0.188 314 N C 0.899 176.248 175.510 -0.268 0.000 1.146 314 N CA 0.516 53.537 53.050 -0.048 0.000 0.893 314 N CB -0.011 38.392 38.487 -0.141 0.000 0.975 314 N HN 0.506 nan 8.380 nan 0.000 0.451 315 R N -0.206 120.322 120.500 0.048 0.000 2.600 315 R HA 0.099 4.438 4.340 -0.002 0.000 0.392 315 R C -0.611 175.835 176.300 0.243 0.000 1.032 315 R CA -0.396 55.761 56.100 0.095 0.000 1.139 315 R CB 0.563 30.912 30.300 0.080 0.000 1.400 315 R HN -0.005 nan 8.270 nan 0.000 0.566 316 D N 2.106 122.719 120.400 0.354 0.000 2.382 316 D HA 0.033 4.672 4.640 -0.002 0.000 0.259 316 D C -1.604 174.843 176.300 0.245 0.000 1.224 316 D CA -2.002 52.169 54.000 0.286 0.000 0.894 316 D CB 1.487 42.459 40.800 0.286 0.000 1.127 316 D HN -0.073 nan 8.370 nan 0.000 0.487 317 P HA -0.055 nan 4.420 nan 0.000 0.222 317 P C 0.766 178.098 177.300 0.053 0.000 1.147 317 P CA 0.917 64.085 63.100 0.114 0.000 0.790 317 P CB 0.180 31.933 31.700 0.090 0.000 0.780 318 A N -0.563 122.279 122.820 0.037 0.000 2.119 318 A HA -0.142 4.177 4.320 -0.002 0.000 0.217 318 A C 2.173 179.690 177.584 -0.113 0.000 1.153 318 A CA 1.643 53.671 52.037 -0.015 0.000 0.692 318 A CB -0.688 18.319 19.000 0.012 0.000 0.799 318 A HN 0.128 nan 8.150 nan 0.000 0.458 319 E N -1.968 118.111 120.200 -0.202 0.000 2.391 319 E HA 0.256 4.605 4.350 -0.002 0.000 0.206 319 E C -0.730 175.422 176.600 -0.746 0.000 0.851 319 E CA 0.185 56.234 56.400 -0.586 0.000 1.059 319 E CB 0.230 29.357 29.700 -0.955 0.000 1.065 319 E HN 0.352 nan 8.360 nan 0.000 0.512 320 F N 1.802 121.726 119.950 -0.044 0.000 2.460 320 F HA 0.384 4.909 4.527 -0.002 0.000 0.341 320 F C -0.454 175.346 175.800 0.001 0.000 1.130 320 F CA -1.306 56.682 58.000 -0.019 0.000 0.962 320 F CB 1.375 40.377 39.000 0.003 0.000 1.171 320 F HN -0.270 nan 8.300 nan 0.000 0.436 321 D N 2.936 123.423 120.400 0.145 0.000 2.350 321 D HA 0.046 4.685 4.640 -0.002 0.000 0.249 321 D C 0.221 176.584 176.300 0.106 0.000 1.119 321 D CA 0.453 54.510 54.000 0.094 0.000 0.886 321 D CB 0.595 41.427 40.800 0.053 0.000 1.195 321 D HN 0.533 nan 8.370 nan 0.000 0.437 322 D N 1.939 122.391 120.400 0.087 0.000 2.802 322 D HA -0.144 4.495 4.640 -0.002 0.000 0.229 322 D C -1.495 174.862 176.300 0.095 0.000 1.203 322 D CA -0.121 53.926 54.000 0.080 0.000 0.712 322 D CB 0.058 40.894 40.800 0.060 0.000 0.973 322 D HN 0.278 nan 8.370 nan 0.000 0.407 323 P HA -0.055 nan 4.420 nan 0.000 0.229 323 P C 0.911 178.268 177.300 0.095 0.000 1.160 323 P CA 0.471 63.633 63.100 0.103 0.000 0.777 323 P CB 0.394 32.171 31.700 0.128 0.000 0.814 324 D N -0.045 120.420 120.400 0.109 0.000 2.289 324 D HA -0.012 4.627 4.640 -0.002 0.000 0.207 324 D C 0.833 177.295 176.300 0.270 0.000 0.966 324 D CA 0.874 54.962 54.000 0.148 0.000 0.868 324 D CB -0.095 40.764 40.800 0.097 0.000 0.943 324 D HN 0.292 nan 8.370 nan 0.000 0.514 325 T N -1.218 113.438 114.554 0.170 0.000 2.856 325 T HA 0.270 4.619 4.350 -0.002 0.000 0.292 325 T C -0.064 174.680 174.700 0.073 0.000 0.980 325 T CA -0.820 61.352 62.100 0.119 0.000 1.091 325 T CB 1.167 70.073 68.868 0.063 0.000 0.936 325 T HN -0.116 nan 8.240 nan 0.000 0.503 326 F N 3.613 123.418 119.950 -0.241 0.000 2.434 326 F HA 0.441 4.967 4.527 -0.002 0.000 0.358 326 F C -0.502 175.177 175.800 -0.200 0.000 1.136 326 F CA -0.990 56.789 58.000 -0.369 0.000 1.157 326 F CB 0.067 38.581 39.000 -0.811 0.000 1.167 326 F HN 0.470 nan 8.300 nan 0.000 0.539 327 L N 9.552 130.581 121.223 -0.323 0.000 2.277 327 L HA 0.297 4.636 4.340 -0.002 0.000 0.284 327 L C -1.651 175.060 176.870 -0.265 0.000 1.028 327 L CA -1.766 52.968 54.840 -0.177 0.000 0.835 327 L CB 1.310 43.310 42.059 -0.097 0.000 1.215 327 L HN 0.474 nan 8.230 nan 0.000 0.425 328 P HA -0.133 nan 4.420 nan 0.000 0.217 328 P C 1.097 178.370 177.300 -0.044 0.000 1.148 328 P CA 0.857 63.944 63.100 -0.021 0.000 0.828 328 P CB 0.326 32.077 31.700 0.084 0.000 0.783 329 G N -0.959 107.820 108.800 -0.036 0.000 3.936 329 G HA2 0.051 4.010 3.960 -0.002 0.000 0.296 329 G HA3 0.051 4.010 3.960 -0.002 0.000 0.296 329 G C 0.022 174.911 174.900 -0.018 0.000 1.121 329 G CA -0.424 44.666 45.100 -0.016 0.000 0.899 329 G HN 0.115 nan 8.290 nan 0.000 0.542 330 R N 1.368 121.840 120.500 -0.046 0.000 2.446 330 R HA 0.239 4.578 4.340 -0.002 0.000 0.325 330 R C -0.593 175.723 176.300 0.027 0.000 0.997 330 R CA 0.533 56.625 56.100 -0.014 0.000 1.010 330 R CB 0.037 30.313 30.300 -0.041 0.000 0.946 330 R HN 0.037 nan 8.270 nan 0.000 0.422 331 K N 5.377 125.797 120.400 0.032 0.000 2.535 331 K HA 0.365 4.684 4.320 -0.002 0.000 0.250 331 K C -2.197 174.417 176.600 0.024 0.000 0.948 331 K CA -1.671 54.638 56.287 0.035 0.000 0.796 331 K CB 2.140 34.654 32.500 0.024 0.000 1.216 331 K HN 0.586 nan 8.250 nan 0.000 0.432 332 P HA 0.256 nan 4.420 nan 0.000 0.276 332 P C -1.023 176.329 177.300 0.087 0.000 1.252 332 P CA -0.540 62.575 63.100 0.024 0.000 0.802 332 P CB 0.647 32.333 31.700 -0.024 0.000 1.035 333 N N 1.069 119.847 118.700 0.130 0.000 2.790 333 N HA 0.128 4.867 4.740 -0.002 0.000 0.256 333 N C -0.537 175.119 175.510 0.244 0.000 1.409 333 N CA -0.280 52.946 53.050 0.293 0.000 0.799 333 N CB 0.241 38.884 38.487 0.260 0.000 1.170 333 N HN 0.242 nan 8.380 nan 0.000 0.507 334 R N 1.643 122.270 120.500 0.211 0.000 4.394 334 R HA 0.107 4.446 4.340 -0.002 0.000 0.257 334 R C -0.100 176.425 176.300 0.374 0.000 1.727 334 R CA -0.513 55.662 56.100 0.124 0.000 1.497 334 R CB -0.626 29.661 30.300 -0.022 0.000 1.406 334 R HN 0.556 nan 8.270 nan 0.000 0.745 335 H N -0.976 118.371 119.070 0.462 0.000 2.690 335 H HA 0.123 4.678 4.556 -0.002 0.000 0.365 335 H C 0.732 176.233 175.328 0.288 0.000 1.142 335 H CA -0.621 55.658 56.048 0.385 0.000 1.417 335 H CB 0.574 30.395 29.762 0.097 0.000 1.446 335 H HN 0.290 nan 8.280 nan 0.000 0.599 336 I N -0.579 120.214 120.570 0.373 0.000 3.517 336 I HA 0.273 4.442 4.170 -0.002 0.000 0.346 336 I C 0.303 176.520 176.117 0.167 0.000 1.510 336 I CA -0.601 60.849 61.300 0.250 0.000 1.090 336 I CB 0.325 38.397 38.000 0.120 0.000 1.506 336 I HN 0.572 nan 8.210 nan 0.000 0.477 337 T N 0.905 115.563 114.554 0.174 0.000 2.759 337 T HA -0.068 4.281 4.350 -0.002 0.000 0.269 337 T C 1.055 175.626 174.700 -0.215 0.000 1.042 337 T CA 2.024 64.036 62.100 -0.146 0.000 1.140 337 T CB -0.354 68.247 68.868 -0.445 0.000 0.864 337 T HN 0.522 nan 8.240 nan 0.000 0.455 338 F N 1.045 121.047 119.950 0.087 0.000 2.692 338 F HA 0.383 4.909 4.527 -0.001 0.000 0.303 338 F C 1.780 177.497 175.800 -0.139 0.000 1.114 338 F CA -0.251 57.683 58.000 -0.109 0.000 1.361 338 F CB -0.263 38.554 39.000 -0.304 0.000 1.063 338 F HN 0.336 nan 8.300 nan 0.000 0.550 339 G N 0.546 109.428 108.800 0.136 0.000 2.593 339 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.237 339 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.237 339 G C -1.181 173.913 174.900 0.323 0.000 1.312 339 G CA -0.193 44.995 45.100 0.146 0.000 0.896 339 G HN 0.547 nan 8.290 nan 0.000 0.574 340 H N -1.102 118.068 119.070 0.168 0.000 3.094 340 H HA 0.658 5.213 4.556 -0.002 0.000 0.346 340 H C 0.568 175.972 175.328 0.125 0.000 1.238 340 H CA 1.801 57.949 56.048 0.166 0.000 1.209 340 H CB 1.163 30.962 29.762 0.062 0.000 1.911 340 H HN 2.624 nan 8.280 nan 0.000 0.540 341 G N 2.180 110.685 108.800 -0.492 0.000 2.488 341 G HA2 -0.268 3.691 3.960 -0.002 0.000 0.237 341 G HA3 -0.268 3.691 3.960 -0.002 0.000 0.237 341 G C 0.614 175.451 174.900 -0.105 0.000 1.209 341 G CA 0.114 45.035 45.100 -0.298 0.000 0.929 341 G HN 0.571 nan 8.290 nan 0.000 0.578 342 M N 0.759 120.316 119.600 -0.073 0.000 2.296 342 M HA 0.058 4.537 4.480 -0.002 0.000 0.265 342 M C 1.720 177.944 176.300 -0.126 0.000 1.064 342 M CA 1.534 56.769 55.300 -0.109 0.000 1.109 342 M CB -1.080 31.402 32.600 -0.197 0.000 1.396 342 M HN 0.561 nan 8.290 nan 0.000 0.430 343 H N -1.561 117.519 119.070 0.017 0.000 2.520 343 H HA 0.110 4.665 4.556 -0.002 0.000 0.284 343 H C 0.239 175.612 175.328 0.074 0.000 1.037 343 H CA -0.144 55.931 56.048 0.045 0.000 1.168 343 H CB -0.253 29.474 29.762 -0.058 0.000 1.497 343 H HN 0.329 nan 8.280 nan 0.000 0.547 344 H N 1.444 120.557 119.070 0.072 0.000 3.167 344 H HA -0.114 4.441 4.556 -0.002 0.000 0.306 344 H C 0.140 175.497 175.328 0.048 0.000 0.965 344 H CA 0.230 56.316 56.048 0.063 0.000 1.408 344 H CB 0.363 30.128 29.762 0.006 0.000 1.406 344 H HN 0.318 nan 8.280 nan 0.000 0.576 345 C N 6.797 125.884 119.300 -0.354 0.000 1.912 345 C HA -0.158 4.301 4.460 -0.002 0.000 0.414 345 C C 2.084 176.950 174.990 -0.208 0.000 1.545 345 C CA -0.157 58.717 59.018 -0.239 0.000 1.468 345 C CB -1.735 25.868 27.740 -0.228 0.000 2.697 345 C HN 0.861 nan 8.230 nan 0.000 0.597 346 L N 5.968 127.136 121.223 -0.091 0.000 2.217 346 L HA 0.209 4.548 4.340 -0.002 0.000 0.211 346 L C 2.153 178.955 176.870 -0.113 0.000 1.107 346 L CA 2.295 57.092 54.840 -0.072 0.000 0.783 346 L CB -0.543 41.487 42.059 -0.047 0.000 0.919 346 L HN 0.900 nan 8.230 nan 0.000 0.442 347 G N -1.798 106.917 108.800 -0.142 0.000 3.448 347 G HA2 0.059 4.018 3.960 -0.002 0.000 0.261 347 G HA3 0.059 4.018 3.960 -0.002 0.000 0.261 347 G C 1.345 176.095 174.900 -0.251 0.000 1.173 347 G CA 0.528 45.544 45.100 -0.140 0.000 0.835 347 G HN 0.479 nan 8.290 nan 0.000 0.534 348 S N 0.523 115.942 115.700 -0.469 0.000 2.382 348 S HA -0.035 4.434 4.470 -0.002 0.000 0.228 348 S C 2.551 176.901 174.600 -0.417 0.000 1.027 348 S CA 1.330 58.962 58.200 -0.946 0.000 0.991 348 S CB -0.281 62.221 63.200 -1.164 0.000 0.823 348 S HN 0.446 nan 8.310 nan 0.000 0.469 349 A N 1.280 123.977 122.820 -0.205 0.000 1.969 349 A HA 0.170 4.489 4.320 -0.002 0.000 0.218 349 A C 2.198 179.760 177.584 -0.037 0.000 1.169 349 A CA 1.301 53.292 52.037 -0.077 0.000 0.635 349 A CB -0.725 18.244 19.000 -0.051 0.000 0.810 349 A HN 0.483 nan 8.150 nan 0.000 0.445 350 L N -0.472 120.719 121.223 -0.053 0.000 2.072 350 L HA 0.035 4.374 4.340 -0.002 0.000 0.205 350 L C 2.745 179.628 176.870 0.022 0.000 1.079 350 L CA 1.852 56.683 54.840 -0.015 0.000 0.752 350 L CB -0.771 41.273 42.059 -0.025 0.000 0.906 350 L HN 0.342 nan 8.230 nan 0.000 0.436 351 A N -0.743 122.097 122.820 0.033 0.000 1.933 351 A HA -0.200 4.119 4.320 -0.002 0.000 0.218 351 A C 2.426 180.116 177.584 0.177 0.000 1.175 351 A CA 1.600 53.722 52.037 0.142 0.000 0.628 351 A CB -0.457 18.724 19.000 0.302 0.000 0.814 351 A HN 0.436 nan 8.150 nan 0.000 0.444 352 R N -1.363 119.235 120.500 0.163 0.000 2.090 352 R HA -0.001 4.338 4.340 -0.002 0.000 0.228 352 R C 1.949 178.314 176.300 0.108 0.000 1.110 352 R CA 1.331 57.532 56.100 0.168 0.000 0.973 352 R CB -0.370 30.026 30.300 0.159 0.000 0.869 352 R HN 0.513 nan 8.270 nan 0.000 0.440 353 I N 1.458 122.071 120.570 0.072 0.000 2.439 353 I HA -0.176 3.993 4.170 -0.002 0.000 0.251 353 I C 1.734 177.883 176.117 0.054 0.000 1.139 353 I CA 1.489 62.821 61.300 0.054 0.000 1.438 353 I CB 0.025 38.045 38.000 0.033 0.000 1.085 353 I HN 0.129 nan 8.210 nan 0.000 0.427 354 E N -0.069 120.166 120.200 0.059 0.000 2.047 354 E HA -0.200 4.149 4.350 -0.002 0.000 0.191 354 E C 2.266 178.905 176.600 0.064 0.000 0.987 354 E CA 1.332 57.764 56.400 0.054 0.000 0.799 354 E CB -0.194 29.537 29.700 0.053 0.000 0.752 354 E HN 0.446 nan 8.360 nan 0.000 0.449 355 L N 0.499 121.774 121.223 0.088 0.000 2.056 355 L HA -0.175 4.164 4.340 -0.002 0.000 0.207 355 L C 2.683 179.605 176.870 0.086 0.000 1.078 355 L CA 0.840 55.738 54.840 0.097 0.000 0.749 355 L CB -0.343 41.791 42.059 0.126 0.000 0.901 355 L HN 0.117 nan 8.230 nan 0.000 0.433 356 S N -0.412 115.338 115.700 0.083 0.000 2.359 356 S HA -0.161 4.308 4.470 -0.002 0.000 0.224 356 S C 1.923 176.556 174.600 0.055 0.000 1.035 356 S CA 1.601 59.843 58.200 0.071 0.000 1.018 356 S CB -0.139 63.101 63.200 0.067 0.000 0.876 356 S HN 0.197 nan 8.310 nan 0.000 0.448 357 V N 1.271 121.214 119.914 0.047 0.000 2.453 357 V HA -0.061 4.058 4.120 -0.002 0.000 0.247 357 V C 2.485 178.599 176.094 0.033 0.000 1.048 357 V CA 1.443 63.764 62.300 0.035 0.000 1.049 357 V CB -0.681 31.158 31.823 0.027 0.000 0.672 357 V HN 0.398 nan 8.190 nan 0.000 0.457 358 V N 0.074 120.011 119.914 0.039 0.000 2.287 358 V HA -0.283 3.836 4.120 -0.002 0.000 0.248 358 V C 2.334 178.455 176.094 0.045 0.000 1.053 358 V CA 2.201 64.524 62.300 0.038 0.000 1.027 358 V CB -0.500 31.351 31.823 0.046 0.000 0.646 358 V HN 0.451 nan 8.190 nan 0.000 0.447 359 L N -0.985 120.270 121.223 0.053 0.000 2.141 359 L HA -0.146 4.193 4.340 -0.002 0.000 0.209 359 L C 2.745 179.640 176.870 0.043 0.000 1.094 359 L CA 1.473 56.344 54.840 0.052 0.000 0.763 359 L CB -0.551 41.547 42.059 0.064 0.000 0.908 359 L HN 0.224 nan 8.230 nan 0.000 0.437 360 R N -0.500 120.024 120.500 0.039 0.000 2.062 360 R HA -0.111 4.228 4.340 -0.002 0.000 0.231 360 R C 2.246 178.561 176.300 0.026 0.000 1.136 360 R CA 1.460 57.579 56.100 0.032 0.000 0.948 360 R CB -0.487 29.830 30.300 0.029 0.000 0.845 360 R HN 0.173 nan 8.270 nan 0.000 0.430 361 V N 1.269 121.196 119.914 0.022 0.000 2.427 361 V HA -0.198 3.921 4.120 -0.002 0.000 0.248 361 V C 2.167 178.272 176.094 0.018 0.000 1.051 361 V CA 1.346 63.654 62.300 0.013 0.000 1.048 361 V CB -0.373 31.451 31.823 0.002 0.000 0.666 361 V HN 0.190 nan 8.190 nan 0.000 0.456 362 L N 0.381 121.623 121.223 0.033 0.000 2.201 362 L HA -0.030 4.309 4.340 -0.002 0.000 0.212 362 L C 2.467 179.371 176.870 0.057 0.000 1.105 362 L CA 1.925 56.801 54.840 0.060 0.000 0.775 362 L CB -0.831 41.286 42.059 0.097 0.000 0.913 362 L HN 0.294 nan 8.230 nan 0.000 0.440 363 A N -1.329 121.514 122.820 0.039 0.000 2.016 363 A HA -0.091 4.228 4.320 -0.002 0.000 0.217 363 A C 2.197 179.796 177.584 0.025 0.000 1.162 363 A CA 0.957 53.011 52.037 0.030 0.000 0.662 363 A CB -0.221 18.794 19.000 0.025 0.000 0.812 363 A HN 0.441 nan 8.150 nan 0.000 0.450 364 E N -0.735 119.479 120.200 0.023 0.000 2.122 364 E HA -0.018 4.331 4.350 -0.002 0.000 0.190 364 E C 2.140 178.750 176.600 0.016 0.000 0.977 364 E CA 0.654 57.064 56.400 0.017 0.000 0.820 364 E CB 0.052 29.760 29.700 0.013 0.000 0.770 364 E HN 0.496 nan 8.360 nan 0.000 0.462 365 R N -0.028 120.482 120.500 0.018 0.000 2.191 365 R HA 0.168 4.507 4.340 -0.002 0.000 0.196 365 R C 0.126 176.445 176.300 0.031 0.000 0.991 365 R CA 0.123 56.232 56.100 0.015 0.000 1.075 365 R CB 0.874 31.173 30.300 -0.002 0.000 1.040 365 R HN -0.079 nan 8.270 nan 0.000 0.526 366 V N 2.179 122.126 119.914 0.056 0.000 2.407 366 V HA 0.039 4.158 4.120 -0.002 0.000 0.278 366 V C 1.314 177.449 176.094 0.068 0.000 1.037 366 V CA -0.092 62.267 62.300 0.097 0.000 0.900 366 V CB 1.645 33.590 31.823 0.204 0.000 0.983 366 V HN 0.305 nan 8.190 nan 0.000 0.459 367 S N 4.646 120.379 115.700 0.055 0.000 2.377 367 S HA 0.133 4.602 4.470 -0.002 0.000 0.223 367 S C 0.828 175.438 174.600 0.017 0.000 1.030 367 S CA 0.253 58.471 58.200 0.030 0.000 0.970 367 S CB 0.125 63.339 63.200 0.022 0.000 0.830 367 S HN 0.681 nan 8.310 nan 0.000 0.473 368 R N -0.116 120.394 120.500 0.016 0.000 2.535 368 R HA 0.612 4.951 4.340 -0.002 0.000 0.274 368 R C -2.146 174.117 176.300 -0.062 0.000 1.090 368 R CA -0.357 55.730 56.100 -0.022 0.000 0.930 368 R CB 2.530 32.813 30.300 -0.028 0.000 1.223 368 R HN 0.130 nan 8.270 nan 0.000 0.441 369 V N 2.190 122.027 119.914 -0.129 0.000 2.417 369 V HA 0.402 4.521 4.120 -0.002 0.000 0.291 369 V C -0.646 175.311 176.094 -0.228 0.000 1.024 369 V CA -0.592 61.534 62.300 -0.291 0.000 0.861 369 V CB 1.661 33.260 31.823 -0.374 0.000 0.985 369 V HN 0.640 nan 8.190 nan 0.000 0.436 370 D N 3.044 123.302 120.400 -0.236 0.000 2.498 370 D HA 0.504 5.143 4.640 -0.002 0.000 0.247 370 D C -0.882 175.336 176.300 -0.137 0.000 1.070 370 D CA -0.496 53.416 54.000 -0.146 0.000 0.842 370 D CB 2.092 42.834 40.800 -0.098 0.000 1.361 370 D HN 0.397 nan 8.370 nan 0.000 0.484 371 L N 3.487 124.662 121.223 -0.080 0.000 2.331 371 L HA 0.260 4.599 4.340 -0.002 0.000 0.278 371 L C 1.289 178.140 176.870 -0.032 0.000 1.106 371 L CA 0.372 55.188 54.840 -0.041 0.000 0.824 371 L CB 0.927 43.000 42.059 0.022 0.000 1.142 371 L HN 0.449 nan 8.230 nan 0.000 0.443 372 E N 3.620 123.801 120.200 -0.033 0.000 2.042 372 E HA 0.045 4.394 4.350 -0.002 0.000 0.189 372 E C 0.347 176.941 176.600 -0.010 0.000 0.974 372 E CA 0.725 57.111 56.400 -0.023 0.000 0.806 372 E CB 0.323 30.009 29.700 -0.024 0.000 0.769 372 E HN 0.595 nan 8.360 nan 0.000 0.451 373 R N -0.233 120.262 120.500 -0.010 0.000 2.752 373 R HA 0.133 4.473 4.340 -0.002 0.000 0.271 373 R C -1.025 175.273 176.300 -0.003 0.000 1.026 373 R CA -0.639 55.459 56.100 -0.003 0.000 0.901 373 R CB 1.338 31.632 30.300 -0.010 0.000 1.243 373 R HN -0.176 nan 8.270 nan 0.000 0.463 374 E N 2.858 123.062 120.200 0.007 0.000 2.452 374 E HA 0.077 4.426 4.350 -0.002 0.000 0.261 374 E C -2.041 174.514 176.600 -0.075 0.000 0.987 374 E CA -1.054 55.350 56.400 0.008 0.000 0.926 374 E CB 0.413 30.136 29.700 0.039 0.000 0.934 374 E HN 0.318 nan 8.360 nan 0.000 0.452 375 P HA 0.122 nan 4.420 nan 0.000 0.271 375 P C -0.928 176.059 177.300 -0.521 0.000 1.218 375 P CA -0.233 62.645 63.100 -0.369 0.000 0.780 375 P CB 0.814 32.172 31.700 -0.569 0.000 0.901 376 A N 2.772 125.309 122.820 -0.472 0.000 2.295 376 A HA 0.631 4.950 4.320 -0.002 0.000 0.318 376 A C -1.123 176.099 177.584 -0.604 0.000 1.134 376 A CA -0.613 51.188 52.037 -0.394 0.000 0.827 376 A CB 0.436 19.343 19.000 -0.155 0.000 1.136 376 A HN 0.565 nan 8.150 nan 0.000 0.493 377 W N 0.621 121.881 121.300 -0.066 0.000 2.689 377 W HA 0.577 5.236 4.660 -0.002 0.000 0.340 377 W C -0.421 176.059 176.519 -0.064 0.000 1.060 377 W CA -0.660 56.619 57.345 -0.110 0.000 1.218 377 W CB 1.246 30.616 29.460 -0.149 0.000 1.410 377 W HN 0.480 nan 8.180 nan 0.000 0.528 378 L N 2.575 123.903 121.223 0.175 0.000 2.426 378 L HA 0.245 4.584 4.340 -0.002 0.000 0.271 378 L C 1.160 178.097 176.870 0.112 0.000 1.169 378 L CA -0.350 54.555 54.840 0.107 0.000 0.836 378 L CB 0.377 42.481 42.059 0.076 0.000 1.112 378 L HN 0.412 nan 8.230 nan 0.000 0.465 379 R N 3.105 123.658 120.500 0.089 0.000 2.893 379 R HA 0.458 4.797 4.340 -0.002 0.000 0.243 379 R C -0.740 175.617 176.300 0.094 0.000 1.481 379 R CA -0.009 56.142 56.100 0.085 0.000 1.250 379 R CB -0.134 30.201 30.300 0.058 0.000 1.213 379 R HN 0.746 nan 8.270 nan 0.000 0.609 380 A N 2.649 125.540 122.820 0.118 0.000 2.609 380 A HA 0.387 4.706 4.320 -0.002 0.000 0.291 380 A C 0.121 177.794 177.584 0.149 0.000 1.096 380 A CA -0.827 51.282 52.037 0.120 0.000 0.684 380 A CB 0.979 20.043 19.000 0.105 0.000 1.282 380 A HN 0.640 nan 8.150 nan 0.000 0.412 381 I N -1.795 118.862 120.570 0.146 0.000 4.323 381 I HA 0.220 4.389 4.170 -0.002 0.000 0.328 381 I C 0.876 177.122 176.117 0.215 0.000 1.310 381 I CA 0.141 61.533 61.300 0.154 0.000 1.186 381 I CB 0.320 38.400 38.000 0.133 0.000 1.130 381 I HN 0.227 nan 8.210 nan 0.000 0.411 382 V N 1.347 121.356 119.914 0.159 0.000 2.358 382 V HA -0.002 4.117 4.120 -0.002 0.000 0.246 382 V C 1.158 177.245 176.094 -0.011 0.000 1.047 382 V CA 1.162 63.486 62.300 0.039 0.000 1.035 382 V CB 0.097 31.949 31.823 0.049 0.000 0.658 382 V HN 0.362 nan 8.190 nan 0.000 0.452 383 V N -0.223 119.719 119.914 0.046 0.000 2.656 383 V HA 0.408 4.527 4.120 -0.002 0.000 0.307 383 V C -0.340 175.753 176.094 -0.001 0.000 1.051 383 V CA -0.668 61.653 62.300 0.035 0.000 0.893 383 V CB 1.884 33.773 31.823 0.110 0.000 0.999 383 V HN 0.488 nan 8.190 nan 0.000 0.426 384 Q N 4.211 123.996 119.800 -0.025 0.000 2.472 384 Q HA 0.519 4.858 4.340 -0.002 0.000 0.227 384 Q C -0.042 175.875 176.000 -0.139 0.000 1.156 384 Q CA -0.008 55.753 55.803 -0.070 0.000 0.924 384 Q CB 0.433 29.128 28.738 -0.070 0.000 1.354 384 Q HN 0.952 nan 8.270 nan 0.000 0.525 385 G N 2.281 110.943 108.800 -0.231 0.000 2.448 385 G HA2 0.366 4.325 3.960 -0.002 0.000 0.324 385 G HA3 0.366 4.325 3.960 -0.002 0.000 0.324 385 G C -1.502 173.285 174.900 -0.189 0.000 1.203 385 G CA -0.536 44.104 45.100 -0.767 0.000 0.954 385 G HN 0.511 nan 8.290 nan 0.000 0.480 386 Y N 0.701 120.935 120.300 -0.109 0.000 2.402 386 Y HA 0.236 4.785 4.550 -0.002 0.000 0.333 386 Y C 1.879 177.762 175.900 -0.028 0.000 1.076 386 Y CA -0.128 57.903 58.100 -0.115 0.000 1.299 386 Y CB 1.716 40.128 38.460 -0.080 0.000 1.197 386 Y HN 0.662 nan 8.280 nan 0.000 0.517 387 R N 1.917 122.418 120.500 0.001 0.000 2.080 387 R HA 0.011 4.350 4.340 -0.002 0.000 0.222 387 R C -0.427 175.880 176.300 0.011 0.000 1.107 387 R CA 1.131 57.245 56.100 0.025 0.000 0.980 387 R CB 0.402 30.694 30.300 -0.012 0.000 0.879 387 R HN 0.883 nan 8.270 nan 0.000 0.439 388 E N -0.479 119.690 120.200 -0.052 0.000 2.392 388 E HA 0.316 4.665 4.350 -0.002 0.000 0.279 388 E C -1.747 174.795 176.600 -0.096 0.000 0.964 388 E CA -0.889 55.480 56.400 -0.051 0.000 0.777 388 E CB 1.612 31.283 29.700 -0.048 0.000 1.249 388 E HN 0.023 nan 8.360 nan 0.000 0.449 389 L N 2.229 123.398 121.223 -0.089 0.000 2.529 389 L HA 0.429 4.768 4.340 -0.002 0.000 0.258 389 L C -2.875 173.950 176.870 -0.075 0.000 1.032 389 L CA -1.467 53.299 54.840 -0.123 0.000 0.899 389 L CB 1.796 43.724 42.059 -0.219 0.000 1.174 389 L HN 0.387 nan 8.230 nan 0.000 0.458 390 P HA 0.319 nan 4.420 nan 0.000 0.276 390 P C -1.088 176.182 177.300 -0.049 0.000 1.253 390 P CA -0.064 63.015 63.100 -0.036 0.000 0.766 390 P CB 1.087 32.770 31.700 -0.030 0.000 0.845 391 V N 1.581 121.463 119.914 -0.054 0.000 3.078 391 V HA 0.647 4.766 4.120 -0.002 0.000 0.311 391 V C -0.467 175.544 176.094 -0.138 0.000 1.138 391 V CA -1.252 60.964 62.300 -0.140 0.000 1.007 391 V CB 2.718 34.382 31.823 -0.266 0.000 1.045 391 V HN 0.248 nan 8.190 nan 0.000 0.432 392 R N 1.740 122.113 120.500 -0.212 0.000 2.338 392 R HA 0.652 4.991 4.340 -0.002 0.000 0.317 392 R C -1.736 174.407 176.300 -0.261 0.000 0.968 392 R CA -0.279 55.741 56.100 -0.133 0.000 0.849 392 R CB 1.849 32.104 30.300 -0.075 0.000 1.128 392 R HN 0.693 nan 8.270 nan 0.000 0.448 393 F N 1.138 121.081 119.950 -0.011 0.000 2.436 393 F HA 0.317 4.843 4.527 -0.001 0.000 0.340 393 F C 0.480 176.274 175.800 -0.010 0.000 1.113 393 F CA -0.367 57.626 58.000 -0.012 0.000 1.022 393 F CB 2.228 41.220 39.000 -0.013 0.000 1.128 393 F HN 0.376 nan 8.300 nan 0.000 0.466 394 T N 0.213 114.864 114.554 0.161 0.000 2.881 394 T HA 0.841 5.190 4.350 -0.002 0.000 0.291 394 T C -0.180 174.575 174.700 0.090 0.000 0.990 394 T CA -0.727 61.430 62.100 0.094 0.000 0.976 394 T CB 1.481 70.374 68.868 0.041 0.000 0.970 394 T HN 0.809 nan 8.240 nan 0.000 0.438 395 G N 1.513 110.355 108.800 0.070 0.000 3.039 395 G HA2 0.737 4.696 3.960 -0.002 0.000 0.202 395 G HA3 0.737 4.696 3.960 -0.002 0.000 0.202 395 G C -0.431 174.487 174.900 0.030 0.000 1.151 395 G CA -0.687 44.443 45.100 0.050 0.000 0.836 395 G HN 0.881 nan 8.290 nan 0.000 0.598 396 R N 0.000 120.512 120.500 0.020 0.000 2.786 396 R HA 0.000 4.339 4.340 -0.002 0.000 0.208 396 R CA 0.000 56.107 56.100 0.012 0.000 0.921 396 R CB 0.000 30.306 30.300 0.010 0.000 0.687 396 R HN 0.000 nan 8.270 nan 0.000 0.535