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 2hu7_1_A DATA FIRST_RESID 9 DATA SEQUENCE FSRIVRDVER LIAVEKYSLQ GVVDGDKLLV VGFSEGSVNA YLYDGGETVK DATA SEQUENCE LNREPINSVL DPHYGVGRVI LVRDVSKGAE QHALFKVNTS RPGEEQRLEA DATA SEQUENCE VKPMRILSGV DTGEAVVFTG ATEDRVALYA LDGGGLRELA RLPGFGFVSD DATA SEQUENCE IRGDLIAGLG FFGGGRVSLF TSNLSSGGLR VFDSGEGSFS SASISPGMKV DATA SEQUENCE TAGLETAREA RLVTVDPRDG SVEDLELPSK DFSSYRPTAI TWLGYLPDGR DATA SEQUENCE LAVVARREGR SAVFIDGERV EAPQGNHGRV VLWRGKLVTS HTSLSTPPRI DATA SEQUENCE VSLPSGEPLL EGGLPEDLRR SIAGSRLVWV ESFDGSRVPT YVLESGRAPT DATA SEQUENCE PGPTVVLVHG GPFAEDSDSW DTFAASLAAA GFHVVMPNYR GSTGYGEEWR DATA SEQUENCE LKIIGDPCGG ELEDVSAAAR WARESGLASE LYIMGYSYGG YMTLCALTMK DATA SEQUENCE PGLFKAGVAG ASVVDWEEMY ELSDAAFRNF IEQLTGGSRE IMRSRSPINH DATA SEQUENCE VDRIKEPLAL IHPQNDSRTP LKPLLRLMGE LLARGKTFEA HIIPDAGHAI DATA SEQUENCE NTMEDAVKIL LPAVFFLATQ RER 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 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.863 175.800 0.105 0.000 0.967 9 F CA 0.000 57.978 58.000 -0.036 0.000 1.383 9 F CB 0.000 39.008 39.000 0.014 0.000 1.145 10 S N 2.611 118.111 115.700 -0.333 0.000 2.402 10 S HA -0.042 4.401 4.470 -0.045 0.000 0.229 10 S C 2.086 176.585 174.600 -0.170 0.000 1.021 10 S CA 1.237 59.306 58.200 -0.218 0.000 0.974 10 S CB -0.457 62.560 63.200 -0.305 0.000 0.800 10 S HN 0.966 nan 8.310 nan 0.000 0.484 11 R N 1.500 121.820 120.500 -0.300 0.000 2.096 11 R HA 0.257 4.570 4.340 -0.045 0.000 0.235 11 R C 2.235 178.621 176.300 0.144 0.000 1.127 11 R CA 1.557 57.656 56.100 -0.003 0.000 0.968 11 R CB -1.603 28.804 30.300 0.179 0.000 0.861 11 R HN 0.682 nan 8.270 nan 0.000 0.440 12 I N 0.284 121.012 120.570 0.264 0.000 2.179 12 I HA -0.235 3.908 4.170 -0.045 0.000 0.242 12 I C 2.379 178.590 176.117 0.156 0.000 1.088 12 I CA 1.316 62.768 61.300 0.254 0.000 1.357 12 I CB -0.247 37.995 38.000 0.404 0.000 1.051 12 I HN 0.154 nan 8.210 nan 0.000 0.409 13 V N 0.746 120.762 119.914 0.170 0.000 2.332 13 V HA -0.307 3.786 4.120 -0.045 0.000 0.248 13 V C 2.637 178.744 176.094 0.022 0.000 1.055 13 V CA 1.961 64.298 62.300 0.062 0.000 1.038 13 V CB -0.683 31.198 31.823 0.097 0.000 0.651 13 V HN 0.363 nan 8.190 nan 0.000 0.450 14 R N 0.452 120.971 120.500 0.031 0.000 2.066 14 R HA -0.123 4.190 4.340 -0.045 0.000 0.232 14 R C 1.959 178.273 176.300 0.024 0.000 1.131 14 R CA 1.778 57.888 56.100 0.016 0.000 0.955 14 R CB -0.766 29.537 30.300 0.006 0.000 0.851 14 R HN 0.502 nan 8.270 nan 0.000 0.432 15 D N -0.592 119.834 120.400 0.043 0.000 2.117 15 D HA -0.131 4.482 4.640 -0.045 0.000 0.197 15 D C 1.898 178.215 176.300 0.028 0.000 0.987 15 D CA 1.388 55.417 54.000 0.048 0.000 0.829 15 D CB -0.266 40.578 40.800 0.072 0.000 0.961 15 D HN 0.058 nan 8.370 nan 0.000 0.460 16 V N 1.122 121.040 119.914 0.006 0.000 2.287 16 V HA -0.243 3.850 4.120 -0.045 0.000 0.248 16 V C 2.337 178.402 176.094 -0.049 0.000 1.053 16 V CA 1.718 63.992 62.300 -0.044 0.000 1.027 16 V CB -0.398 31.370 31.823 -0.092 0.000 0.646 16 V HN 0.213 nan 8.190 nan 0.000 0.447 17 E N -0.308 119.873 120.200 -0.033 0.000 2.058 17 E HA -0.238 4.085 4.350 -0.045 0.000 0.194 17 E C 2.479 179.079 176.600 0.000 0.000 0.997 17 E CA 1.373 57.760 56.400 -0.022 0.000 0.801 17 E CB -0.165 29.527 29.700 -0.013 0.000 0.746 17 E HN 0.517 nan 8.360 nan 0.000 0.450 18 R N 0.206 120.713 120.500 0.011 0.000 2.115 18 R HA -0.052 4.261 4.340 -0.045 0.000 0.230 18 R C 2.396 178.716 176.300 0.033 0.000 1.111 18 R CA 0.650 56.762 56.100 0.020 0.000 0.976 18 R CB -0.117 30.197 30.300 0.023 0.000 0.870 18 R HN 0.168 nan 8.270 nan 0.000 0.445 19 L N 0.116 121.368 121.223 0.047 0.000 2.109 19 L HA -0.127 4.186 4.340 -0.045 0.000 0.207 19 L C 2.187 179.097 176.870 0.067 0.000 1.086 19 L CA 1.148 56.050 54.840 0.102 0.000 0.760 19 L CB -0.216 41.914 42.059 0.119 0.000 0.910 19 L HN 0.162 nan 8.230 nan 0.000 0.437 20 I N -0.259 120.309 120.570 -0.005 0.000 2.315 20 I HA -0.228 3.915 4.170 -0.045 0.000 0.248 20 I C 2.659 178.830 176.117 0.090 0.000 1.117 20 I CA 1.078 62.350 61.300 -0.048 0.000 1.404 20 I CB -0.345 37.599 38.000 -0.094 0.000 1.071 20 I HN 0.165 nan 8.210 nan 0.000 0.419 21 A N 0.319 123.198 122.820 0.100 0.000 2.066 21 A HA 0.014 4.307 4.320 -0.045 0.000 0.218 21 A C 1.280 178.912 177.584 0.079 0.000 1.157 21 A CA 0.334 52.445 52.037 0.125 0.000 0.670 21 A CB -0.614 18.413 19.000 0.046 0.000 0.804 21 A HN 0.146 nan 8.150 nan 0.000 0.453 22 V N 1.857 121.786 119.914 0.025 0.000 2.617 22 V HA -0.036 4.057 4.120 -0.045 0.000 0.304 22 V C 0.388 176.449 176.094 -0.055 0.000 1.040 22 V CA 0.091 62.359 62.300 -0.055 0.000 1.149 22 V CB 0.164 31.897 31.823 -0.150 0.000 0.914 22 V HN 0.570 nan 8.190 nan 0.000 0.487 23 E N 4.741 124.876 120.200 -0.107 0.000 2.373 23 E HA 0.310 4.633 4.350 -0.045 0.000 0.267 23 E C -0.473 175.916 176.600 -0.351 0.000 1.032 23 E CA -0.091 56.170 56.400 -0.232 0.000 0.889 23 E CB 0.648 30.200 29.700 -0.248 0.000 0.984 23 E HN 0.560 nan 8.360 nan 0.000 0.425 24 K N 2.688 122.801 120.400 -0.479 0.000 2.443 24 K HA 0.405 4.698 4.320 -0.045 0.000 0.252 24 K C -1.363 174.921 176.600 -0.527 0.000 0.933 24 K CA -0.724 55.341 56.287 -0.370 0.000 0.792 24 K CB 1.547 33.936 32.500 -0.185 0.000 1.185 24 K HN 0.387 nan 8.250 nan 0.000 0.425 25 Y N 0.238 120.501 120.300 -0.062 0.000 2.499 25 Y HA 0.343 4.866 4.550 -0.045 0.000 0.347 25 Y C 0.159 176.023 175.900 -0.059 0.000 0.987 25 Y CA -0.796 57.269 58.100 -0.058 0.000 1.044 25 Y CB 2.482 40.871 38.460 -0.118 0.000 1.245 25 Y HN 0.630 nan 8.280 nan 0.000 0.461 26 S N 2.302 118.069 115.700 0.111 0.000 2.513 26 S HA 0.650 5.093 4.470 -0.045 0.000 0.299 26 S C -1.506 173.095 174.600 0.001 0.000 1.087 26 S CA -0.829 57.389 58.200 0.030 0.000 1.012 26 S CB 1.725 64.933 63.200 0.013 0.000 1.044 26 S HN 0.581 nan 8.310 nan 0.000 0.485 27 L N 2.708 123.892 121.223 -0.066 0.000 2.290 27 L HA 0.494 4.807 4.340 -0.045 0.000 0.284 27 L C 0.732 177.530 176.870 -0.119 0.000 1.078 27 L CA 0.320 55.090 54.840 -0.116 0.000 0.815 27 L CB 0.845 42.803 42.059 -0.169 0.000 1.162 27 L HN 0.814 nan 8.230 nan 0.000 0.435 28 Q N 3.817 123.559 119.800 -0.096 0.000 2.431 28 Q HA 0.504 4.817 4.340 -0.045 0.000 0.244 28 Q C 0.627 176.572 176.000 -0.091 0.000 0.880 28 Q CA 0.678 56.440 55.803 -0.069 0.000 0.954 28 Q CB 1.139 29.861 28.738 -0.026 0.000 1.105 28 Q HN 0.896 nan 8.270 nan 0.000 0.558 29 G N -0.472 108.246 108.800 -0.137 0.000 2.351 29 G HA2 0.273 4.205 3.960 -0.045 0.000 0.279 29 G HA3 0.273 4.205 3.960 -0.045 0.000 0.279 29 G C -1.792 172.966 174.900 -0.236 0.000 1.297 29 G CA -0.481 44.488 45.100 -0.219 0.000 0.886 29 G HN -0.099 nan 8.290 nan 0.000 0.493 30 V N 0.828 120.537 119.914 -0.341 0.000 2.487 30 V HA 0.771 4.864 4.120 -0.045 0.000 0.298 30 V C 0.471 176.519 176.094 -0.076 0.000 1.028 30 V CA -0.031 62.164 62.300 -0.174 0.000 0.860 30 V CB 0.919 32.667 31.823 -0.125 0.000 0.991 30 V HN 1.589 nan 8.190 nan 0.000 0.427 31 V N 0.730 120.653 119.914 0.016 0.000 3.105 31 V HA 0.765 4.858 4.120 -0.045 0.000 0.311 31 V C 0.220 176.360 176.094 0.077 0.000 1.287 31 V CA -0.749 61.579 62.300 0.045 0.000 1.066 31 V CB 1.552 33.392 31.823 0.028 0.000 1.105 31 V HN 0.756 nan 8.190 nan 0.000 0.462 32 D N -0.121 120.321 120.400 0.070 0.000 2.701 32 D HA 0.032 4.645 4.640 -0.045 0.000 0.235 32 D C 1.005 177.354 176.300 0.082 0.000 1.155 32 D CA 2.494 56.534 54.000 0.068 0.000 0.649 32 D CB -1.163 39.672 40.800 0.060 0.000 1.050 32 D HN 2.190 nan 8.370 nan 0.000 0.425 33 G N 0.283 109.139 108.800 0.093 0.000 4.933 33 G HA2 -0.323 3.610 3.960 -0.045 0.000 0.285 33 G HA3 -0.323 3.610 3.960 -0.045 0.000 0.285 33 G C 0.244 175.228 174.900 0.140 0.000 1.596 33 G CA 0.356 45.517 45.100 0.102 0.000 1.081 33 G HN 0.624 nan 8.290 nan 0.000 0.710 34 D N 1.343 121.839 120.400 0.161 0.000 3.100 34 D HA 0.348 4.961 4.640 -0.045 0.000 0.350 34 D C -0.344 176.197 176.300 0.401 0.000 1.310 34 D CA -0.109 54.037 54.000 0.245 0.000 0.741 34 D CB -0.092 40.790 40.800 0.136 0.000 1.248 34 D HN 0.499 nan 8.370 nan 0.000 0.527 35 K N 0.705 121.286 120.400 0.301 0.000 2.270 35 K HA 0.453 4.746 4.320 -0.045 0.000 0.255 35 K C 0.086 176.731 176.600 0.074 0.000 0.936 35 K CA -0.866 55.576 56.287 0.260 0.000 0.809 35 K CB 2.572 35.156 32.500 0.141 0.000 1.131 35 K HN 0.057 nan 8.250 nan 0.000 0.427 36 L N 3.369 124.496 121.223 -0.160 0.000 2.453 36 L HA 0.075 4.388 4.340 -0.045 0.000 0.272 36 L C -0.101 176.708 176.870 -0.102 0.000 1.182 36 L CA -0.380 54.300 54.840 -0.267 0.000 0.858 36 L CB 0.087 41.840 42.059 -0.510 0.000 1.120 36 L HN 0.372 nan 8.230 nan 0.000 0.474 37 L N 6.065 127.234 121.223 -0.090 0.000 2.272 37 L HA 0.527 4.840 4.340 -0.045 0.000 0.289 37 L C -0.295 176.554 176.870 -0.036 0.000 1.032 37 L CA -0.211 54.608 54.840 -0.034 0.000 0.810 37 L CB 1.472 43.513 42.059 -0.030 0.000 1.205 37 L HN 0.349 nan 8.230 nan 0.000 0.422 38 V N 3.379 123.310 119.914 0.030 0.000 2.823 38 V HA 0.729 4.822 4.120 -0.045 0.000 0.312 38 V C -0.719 175.471 176.094 0.160 0.000 1.072 38 V CA -0.773 61.567 62.300 0.067 0.000 0.937 38 V CB 1.865 33.716 31.823 0.047 0.000 1.013 38 V HN 0.429 nan 8.190 nan 0.000 0.430 39 V N 3.114 123.115 119.914 0.146 0.000 2.394 39 V HA 0.821 4.914 4.120 -0.045 0.000 0.282 39 V C 0.854 177.089 176.094 0.235 0.000 1.031 39 V CA 0.513 62.909 62.300 0.160 0.000 0.881 39 V CB 1.285 33.154 31.823 0.077 0.000 0.982 39 V HN 1.297 nan 8.190 nan 0.000 0.451 40 G N 3.122 112.113 108.800 0.319 0.000 2.530 40 G HA2 0.533 4.466 3.960 -0.045 0.000 0.316 40 G HA3 0.533 4.466 3.960 -0.045 0.000 0.316 40 G C -1.094 173.831 174.900 0.041 0.000 1.298 40 G CA -0.588 44.562 45.100 0.082 0.000 0.948 40 G HN 0.562 nan 8.290 nan 0.000 0.486 41 F N 3.532 123.355 119.950 -0.211 0.000 2.468 41 F HA 0.551 5.052 4.527 -0.044 0.000 0.356 41 F C 0.460 176.131 175.800 -0.216 0.000 1.167 41 F CA 0.132 58.035 58.000 -0.161 0.000 1.135 41 F CB 0.542 39.450 39.000 -0.154 0.000 1.197 41 F HN 0.399 nan 8.300 nan 0.000 0.569 42 S N 3.852 119.190 115.700 -0.604 0.000 2.550 42 S HA 0.353 4.796 4.470 -0.045 0.000 0.270 42 S C -0.489 173.900 174.600 -0.352 0.000 1.145 42 S CA -0.597 57.361 58.200 -0.404 0.000 0.852 42 S CB 1.306 64.384 63.200 -0.204 0.000 1.119 42 S HN 0.627 nan 8.310 nan 0.000 0.465 43 E N 1.298 121.346 120.200 -0.254 0.000 2.360 43 E HA -0.193 4.130 4.350 -0.045 0.000 0.238 43 E C 0.770 177.226 176.600 -0.240 0.000 1.186 43 E CA 1.559 57.854 56.400 -0.175 0.000 0.719 43 E CB -1.495 28.158 29.700 -0.079 0.000 1.236 43 E HN 1.574 nan 8.360 nan 0.000 0.386 44 G N -1.451 107.114 108.800 -0.391 0.000 2.176 44 G HA2 -0.317 3.615 3.960 -0.045 0.000 0.253 44 G HA3 -0.317 3.615 3.960 -0.045 0.000 0.253 44 G C 0.227 174.874 174.900 -0.421 0.000 0.979 44 G CA 0.658 45.557 45.100 -0.335 0.000 0.641 44 G HN 1.341 nan 8.290 nan 0.000 0.530 45 S N -2.277 113.036 115.700 -0.645 0.000 2.643 45 S HA 0.706 5.149 4.470 -0.045 0.000 0.270 45 S C -0.735 173.682 174.600 -0.306 0.000 1.166 45 S CA -0.272 57.724 58.200 -0.340 0.000 0.815 45 S CB 2.199 65.321 63.200 -0.129 0.000 1.139 45 S HN 1.179 nan 8.310 nan 0.000 0.472 46 V N 2.812 122.735 119.914 0.015 0.000 2.432 46 V HA 0.501 4.594 4.120 -0.045 0.000 0.271 46 V C -0.228 175.849 176.094 -0.028 0.000 1.046 46 V CA -0.275 62.068 62.300 0.072 0.000 0.945 46 V CB 0.195 32.106 31.823 0.147 0.000 0.992 46 V HN 0.814 nan 8.190 nan 0.000 0.471 47 N N 2.428 121.097 118.700 -0.052 0.000 2.571 47 N HA 0.759 5.472 4.740 -0.045 0.000 0.273 47 N C -0.804 174.536 175.510 -0.282 0.000 1.340 47 N CA -0.548 52.368 53.050 -0.223 0.000 0.789 47 N CB 2.516 40.766 38.487 -0.395 0.000 1.514 47 N HN 0.652 nan 8.380 nan 0.000 0.499 48 A N 0.645 123.200 122.820 -0.442 0.000 2.330 48 A HA 0.758 5.051 4.320 -0.045 0.000 0.327 48 A C -1.627 175.625 177.584 -0.554 0.000 1.155 48 A CA -0.346 51.501 52.037 -0.316 0.000 0.803 48 A CB 0.392 19.298 19.000 -0.156 0.000 1.208 48 A HN 0.598 nan 8.150 nan 0.000 0.477 49 Y N 0.569 120.883 120.300 0.023 0.000 2.545 49 Y HA 0.553 5.076 4.550 -0.045 0.000 0.348 49 Y C -0.195 175.713 175.900 0.014 0.000 1.002 49 Y CA -0.779 57.336 58.100 0.025 0.000 1.039 49 Y CB 1.840 40.330 38.460 0.051 0.000 1.271 49 Y HN 0.546 nan 8.280 nan 0.000 0.467 50 L N 2.551 123.880 121.223 0.176 0.000 2.312 50 L HA 0.400 4.713 4.340 -0.045 0.000 0.281 50 L C -1.172 175.778 176.870 0.134 0.000 1.070 50 L CA -0.776 54.130 54.840 0.110 0.000 0.805 50 L CB 1.015 43.116 42.059 0.070 0.000 1.174 50 L HN 0.627 nan 8.230 nan 0.000 0.434 51 Y N 1.995 122.250 120.300 -0.075 0.000 2.361 51 Y HA 0.297 4.820 4.550 -0.045 0.000 0.337 51 Y C -0.469 175.382 175.900 -0.082 0.000 0.965 51 Y CA -0.492 57.531 58.100 -0.129 0.000 1.091 51 Y CB 1.686 39.983 38.460 -0.271 0.000 1.182 51 Y HN 0.534 nan 8.280 nan 0.000 0.450 52 D N 3.394 123.503 120.400 -0.485 0.000 2.760 52 D HA 0.282 4.894 4.640 -0.045 0.000 0.314 52 D C 0.922 177.110 176.300 -0.186 0.000 1.464 52 D CA 0.810 54.762 54.000 -0.081 0.000 0.797 52 D CB 0.245 41.070 40.800 0.041 0.000 1.149 52 D HN 0.964 nan 8.370 nan 0.000 0.455 53 G N -1.045 107.251 108.800 -0.840 0.000 2.231 53 G HA2 -0.110 3.823 3.960 -0.045 0.000 0.206 53 G HA3 -0.110 3.823 3.960 -0.045 0.000 0.206 53 G C 0.785 175.498 174.900 -0.312 0.000 0.996 53 G CA 0.126 45.026 45.100 -0.334 0.000 0.645 53 G HN 0.614 nan 8.290 nan 0.000 0.498 54 G N -0.435 108.106 108.800 -0.431 0.000 3.364 54 G HA2 0.557 4.490 3.960 -0.045 0.000 0.191 54 G HA3 0.557 4.490 3.960 -0.045 0.000 0.191 54 G C -0.596 174.215 174.900 -0.148 0.000 1.352 54 G CA -0.031 44.960 45.100 -0.182 0.000 0.758 54 G HN 0.233 nan 8.290 nan 0.000 0.730 55 E N 1.590 121.735 120.200 -0.093 0.000 2.343 55 E HA 0.333 4.656 4.350 -0.045 0.000 0.269 55 E C 0.311 176.888 176.600 -0.039 0.000 1.047 55 E CA -0.144 56.231 56.400 -0.041 0.000 0.874 55 E CB 1.088 30.775 29.700 -0.023 0.000 1.033 55 E HN 0.523 nan 8.360 nan 0.000 0.409 56 T N -1.712 112.845 114.554 0.005 0.000 2.900 56 T HA 0.274 4.597 4.350 -0.045 0.000 0.307 56 T C 0.350 175.118 174.700 0.113 0.000 1.065 56 T CA -0.758 61.375 62.100 0.056 0.000 1.105 56 T CB 0.598 69.418 68.868 -0.079 0.000 0.979 56 T HN 0.106 nan 8.240 nan 0.000 0.544 57 V N 2.865 122.881 119.914 0.170 0.000 2.378 57 V HA 0.373 4.466 4.120 -0.045 0.000 0.288 57 V C 0.460 176.676 176.094 0.203 0.000 1.016 57 V CA -1.012 61.378 62.300 0.149 0.000 0.840 57 V CB 1.406 33.273 31.823 0.072 0.000 0.994 57 V HN 0.945 nan 8.190 nan 0.000 0.431 58 K N 3.722 124.223 120.400 0.169 0.000 2.379 58 K HA 0.316 4.609 4.320 -0.045 0.000 0.284 58 K C 0.414 176.948 176.600 -0.110 0.000 1.044 58 K CA -0.188 56.058 56.287 -0.068 0.000 0.974 58 K CB 0.787 33.257 32.500 -0.049 0.000 0.962 58 K HN 0.622 nan 8.250 nan 0.000 0.474 59 L N 3.067 124.176 121.223 -0.189 0.000 2.253 59 L HA -0.028 4.285 4.340 -0.045 0.000 0.205 59 L C 1.118 177.918 176.870 -0.118 0.000 1.078 59 L CA 0.048 54.821 54.840 -0.112 0.000 0.805 59 L CB -0.239 41.766 42.059 -0.090 0.000 0.963 59 L HN 0.720 nan 8.230 nan 0.000 0.459 60 N N 0.162 118.757 118.700 -0.175 0.000 2.408 60 N HA 0.128 4.841 4.740 -0.045 0.000 0.260 60 N C 0.322 175.743 175.510 -0.148 0.000 1.242 60 N CA -0.373 52.580 53.050 -0.162 0.000 0.959 60 N CB 1.334 39.707 38.487 -0.190 0.000 1.201 60 N HN 0.036 nan 8.380 nan 0.000 0.511 61 R N -0.293 120.119 120.500 -0.146 0.000 1.906 61 R HA 0.161 4.474 4.340 -0.045 0.000 0.186 61 R C 0.175 176.395 176.300 -0.132 0.000 1.615 61 R CA 0.026 56.053 56.100 -0.122 0.000 1.265 61 R CB -0.348 29.887 30.300 -0.108 0.000 0.976 61 R HN 0.603 nan 8.270 nan 0.000 0.487 62 E N 1.761 121.870 120.200 -0.152 0.000 2.392 62 E HA 0.170 4.493 4.350 -0.045 0.000 0.256 62 E C -2.243 174.273 176.600 -0.141 0.000 1.145 62 E CA -1.918 54.401 56.400 -0.135 0.000 0.929 62 E CB -0.144 29.473 29.700 -0.138 0.000 0.998 62 E HN 0.012 nan 8.360 nan 0.000 0.442 63 P HA 0.013 nan 4.420 nan 0.000 0.267 63 P C -0.232 177.022 177.300 -0.076 0.000 1.201 63 P CA 0.505 63.557 63.100 -0.080 0.000 0.775 63 P CB 0.333 32.010 31.700 -0.039 0.000 0.854 64 I N -1.215 119.324 120.570 -0.052 0.000 3.436 64 I HA 0.466 4.609 4.170 -0.045 0.000 0.300 64 I C 0.459 176.594 176.117 0.030 0.000 1.131 64 I CA -0.826 60.458 61.300 -0.027 0.000 1.001 64 I CB 1.929 39.897 38.000 -0.054 0.000 1.305 64 I HN 0.098 nan 8.210 nan 0.000 0.494 65 N N -0.092 118.635 118.700 0.046 0.000 2.516 65 N HA 0.139 4.852 4.740 -0.045 0.000 0.197 65 N C -0.064 175.464 175.510 0.031 0.000 1.064 65 N CA 0.796 53.883 53.050 0.061 0.000 0.866 65 N CB 0.866 39.412 38.487 0.097 0.000 1.255 65 N HN 0.826 nan 8.380 nan 0.000 0.447 66 S N -0.431 115.271 115.700 0.004 0.000 2.655 66 S HA 0.474 4.917 4.470 -0.045 0.000 0.266 66 S C -1.063 173.537 174.600 0.001 0.000 1.149 66 S CA -0.896 57.307 58.200 0.005 0.000 0.818 66 S CB 1.510 64.710 63.200 -0.000 0.000 1.130 66 S HN -0.042 nan 8.310 nan 0.000 0.476 67 V N -0.841 119.080 119.914 0.012 0.000 2.914 67 V HA 0.742 4.835 4.120 -0.045 0.000 0.314 67 V C -0.454 175.660 176.094 0.033 0.000 1.084 67 V CA -1.229 61.080 62.300 0.015 0.000 0.963 67 V CB 1.189 33.018 31.823 0.011 0.000 1.025 67 V HN 0.999 nan 8.190 nan 0.000 0.432 68 L N 1.478 122.724 121.223 0.037 0.000 2.417 68 L HA 0.390 4.703 4.340 -0.045 0.000 0.268 68 L C -0.043 176.874 176.870 0.078 0.000 1.158 68 L CA -0.395 54.486 54.840 0.068 0.000 0.819 68 L CB 0.344 42.442 42.059 0.066 0.000 1.112 68 L HN 0.663 nan 8.230 nan 0.000 0.458 69 D N 3.521 123.987 120.400 0.111 0.000 2.412 69 D HA 0.099 4.712 4.640 -0.045 0.000 0.257 69 D C -2.141 174.237 176.300 0.131 0.000 1.217 69 D CA -0.718 53.355 54.000 0.121 0.000 0.897 69 D CB 0.344 41.247 40.800 0.172 0.000 1.132 69 D HN 0.219 nan 8.370 nan 0.000 0.493 70 P HA 0.143 nan 4.420 nan 0.000 0.290 70 P C -0.342 177.076 177.300 0.197 0.000 1.276 70 P CA -0.502 62.667 63.100 0.114 0.000 0.808 70 P CB 0.763 32.492 31.700 0.048 0.000 0.966 71 H N 1.454 120.576 119.070 0.085 0.000 2.897 71 H HA 0.050 4.579 4.556 -0.045 0.000 0.347 71 H C 0.023 175.432 175.328 0.135 0.000 1.068 71 H CA 0.554 56.687 56.048 0.141 0.000 1.426 71 H CB -0.457 29.389 29.762 0.140 0.000 1.410 71 H HN 0.328 nan 8.280 nan 0.000 0.597 72 Y N 1.037 121.418 120.300 0.136 0.000 2.881 72 Y HA 0.019 4.542 4.550 -0.045 0.000 0.335 72 Y C 1.789 177.761 175.900 0.120 0.000 1.263 72 Y CA 1.788 59.955 58.100 0.112 0.000 1.572 72 Y CB 0.115 38.620 38.460 0.076 0.000 1.237 72 Y HN 0.942 nan 8.280 nan 0.000 0.568 73 G N 1.396 110.318 108.800 0.202 0.000 2.176 73 G HA2 -0.275 3.658 3.960 -0.045 0.000 0.253 73 G HA3 -0.275 3.658 3.960 -0.045 0.000 0.253 73 G C -0.028 174.947 174.900 0.125 0.000 0.979 73 G CA -0.075 45.125 45.100 0.166 0.000 0.641 73 G HN 1.084 nan 8.290 nan 0.000 0.530 74 V N -0.798 119.188 119.914 0.121 0.000 2.740 74 V HA 0.638 4.731 4.120 -0.045 0.000 0.303 74 V C 1.444 177.580 176.094 0.070 0.000 1.054 74 V CA 0.648 63.005 62.300 0.096 0.000 1.106 74 V CB 1.398 33.276 31.823 0.092 0.000 0.957 74 V HN 1.173 nan 8.190 nan 0.000 0.486 75 G N 4.580 113.415 108.800 0.059 0.000 3.379 75 G HA2 0.404 4.337 3.960 -0.045 0.000 0.253 75 G HA3 0.404 4.337 3.960 -0.045 0.000 0.253 75 G C 0.448 175.371 174.900 0.039 0.000 1.262 75 G CA -0.060 45.068 45.100 0.048 0.000 0.959 75 G HN 1.138 nan 8.290 nan 0.000 0.524 76 R N -2.540 117.983 120.500 0.038 0.000 2.733 76 R HA 0.691 5.004 4.340 -0.045 0.000 0.272 76 R C -2.243 174.075 176.300 0.030 0.000 1.029 76 R CA -0.782 55.337 56.100 0.031 0.000 0.888 76 R CB 1.331 31.648 30.300 0.028 0.000 1.251 76 R HN -0.113 nan 8.270 nan 0.000 0.464 77 V N 1.879 121.807 119.914 0.024 0.000 2.841 77 V HA 0.479 4.572 4.120 -0.045 0.000 0.310 77 V C -0.757 175.352 176.094 0.025 0.000 1.090 77 V CA -0.956 61.357 62.300 0.022 0.000 0.930 77 V CB 2.193 34.023 31.823 0.010 0.000 1.014 77 V HN 0.578 nan 8.190 nan 0.000 0.425 78 I N 5.229 125.813 120.570 0.024 0.000 2.328 78 I HA 0.407 4.550 4.170 -0.045 0.000 0.287 78 I C -0.038 176.097 176.117 0.030 0.000 1.012 78 I CA -0.284 61.030 61.300 0.023 0.000 1.195 78 I CB 1.112 39.111 38.000 -0.001 0.000 1.350 78 I HN 0.397 nan 8.210 nan 0.000 0.464 79 L N 6.192 127.454 121.223 0.065 0.000 2.395 79 L HA 0.458 4.771 4.340 -0.045 0.000 0.269 79 L C -0.024 176.911 176.870 0.108 0.000 1.133 79 L CA -0.713 54.168 54.840 0.068 0.000 0.812 79 L CB 1.140 43.236 42.059 0.062 0.000 1.125 79 L HN 0.211 nan 8.230 nan 0.000 0.452 80 V N 3.273 123.223 119.914 0.059 0.000 2.378 80 V HA 0.470 4.563 4.120 -0.045 0.000 0.288 80 V C -0.096 176.059 176.094 0.102 0.000 1.016 80 V CA -0.572 61.757 62.300 0.049 0.000 0.840 80 V CB 1.440 33.208 31.823 -0.093 0.000 0.994 80 V HN 0.705 nan 8.190 nan 0.000 0.431 81 R N 2.785 123.429 120.500 0.240 0.000 2.561 81 R HA 0.351 4.664 4.340 -0.045 0.000 0.297 81 R C -0.847 175.648 176.300 0.325 0.000 0.969 81 R CA -0.699 55.530 56.100 0.215 0.000 0.879 81 R CB 1.532 31.860 30.300 0.047 0.000 1.178 81 R HN 0.738 nan 8.270 nan 0.000 0.445 82 D N 3.871 124.451 120.400 0.300 0.000 2.382 82 D HA 0.006 4.619 4.640 -0.045 0.000 0.259 82 D C 0.637 176.990 176.300 0.090 0.000 1.224 82 D CA 0.221 54.308 54.000 0.145 0.000 0.894 82 D CB 1.271 42.129 40.800 0.096 0.000 1.127 82 D HN 0.398 nan 8.370 nan 0.000 0.487 83 V N 1.640 121.597 119.914 0.071 0.000 3.121 83 V HA 0.222 4.315 4.120 -0.045 0.000 0.344 83 V C 0.726 176.836 176.094 0.027 0.000 1.390 83 V CA 0.263 62.605 62.300 0.071 0.000 1.177 83 V CB -0.277 31.618 31.823 0.120 0.000 1.163 83 V HN 0.469 nan 8.190 nan 0.000 0.484 84 S N -0.964 114.737 115.700 0.001 0.000 2.902 84 S HA 0.368 4.811 4.470 -0.045 0.000 0.250 84 S C 0.388 174.985 174.600 -0.004 0.000 1.046 84 S CA -0.332 57.863 58.200 -0.009 0.000 1.069 84 S CB -0.251 62.930 63.200 -0.032 0.000 0.967 84 S HN 0.542 nan 8.310 nan 0.000 0.530 85 K N 0.779 121.183 120.400 0.007 0.000 3.035 85 K HA -0.199 4.094 4.320 -0.045 0.000 0.262 85 K C 0.979 177.589 176.600 0.017 0.000 1.024 85 K CA 0.623 56.918 56.287 0.014 0.000 0.748 85 K CB -1.879 30.628 32.500 0.013 0.000 1.247 85 K HN 1.204 nan 8.250 nan 0.000 0.482 86 G N -1.816 106.994 108.800 0.016 0.000 2.218 86 G HA2 -0.268 3.665 3.960 -0.045 0.000 0.216 86 G HA3 -0.268 3.665 3.960 -0.045 0.000 0.216 86 G C 0.692 175.599 174.900 0.012 0.000 0.994 86 G CA 0.216 45.332 45.100 0.027 0.000 0.637 86 G HN 0.681 nan 8.290 nan 0.000 0.505 87 A N 0.507 123.316 122.820 -0.017 0.000 2.235 87 A HA 0.504 4.797 4.320 -0.045 0.000 0.208 87 A C 1.243 178.778 177.584 -0.082 0.000 1.172 87 A CA 1.743 53.760 52.037 -0.034 0.000 0.786 87 A CB -0.502 18.480 19.000 -0.031 0.000 0.804 87 A HN 1.283 nan 8.150 nan 0.000 0.479 88 E N -0.651 119.455 120.200 -0.156 0.000 2.513 88 E HA -0.156 4.167 4.350 -0.045 0.000 0.257 88 E C -0.896 175.402 176.600 -0.503 0.000 1.098 88 E CA 0.401 56.555 56.400 -0.410 0.000 0.752 88 E CB -1.317 28.316 29.700 -0.112 0.000 1.324 88 E HN 0.674 nan 8.360 nan 0.000 0.403 89 Q N 0.809 120.424 119.800 -0.309 0.000 2.389 89 Q HA 0.226 4.539 4.340 -0.045 0.000 0.244 89 Q C -0.336 175.541 176.000 -0.204 0.000 1.056 89 Q CA 0.335 56.020 55.803 -0.197 0.000 0.908 89 Q CB 0.393 29.083 28.738 -0.079 0.000 1.273 89 Q HN 0.329 nan 8.270 nan 0.000 0.471 90 H N 0.120 119.223 119.070 0.055 0.000 2.472 90 H HA 0.650 5.179 4.556 -0.045 0.000 0.335 90 H C -0.302 175.036 175.328 0.016 0.000 1.136 90 H CA -0.524 55.560 56.048 0.060 0.000 1.264 90 H CB 1.389 31.189 29.762 0.063 0.000 1.486 90 H HN 0.676 nan 8.280 nan 0.000 0.517 91 A N 2.614 125.541 122.820 0.179 0.000 2.354 91 A HA 0.628 4.921 4.320 -0.045 0.000 0.321 91 A C -0.935 176.623 177.584 -0.044 0.000 1.125 91 A CA -0.810 51.210 52.037 -0.028 0.000 0.799 91 A CB 0.865 19.782 19.000 -0.138 0.000 1.293 91 A HN 0.611 nan 8.150 nan 0.000 0.452 92 L N 0.695 121.737 121.223 -0.303 0.000 2.309 92 L HA 0.619 4.932 4.340 -0.045 0.000 0.282 92 L C -1.399 175.212 176.870 -0.432 0.000 1.036 92 L CA -0.191 54.514 54.840 -0.225 0.000 0.806 92 L CB 1.174 43.058 42.059 -0.292 0.000 1.220 92 L HN 0.618 nan 8.230 nan 0.000 0.429 93 F N 1.536 121.447 119.950 -0.064 0.000 2.547 93 F HA 0.411 4.911 4.527 -0.045 0.000 0.316 93 F C -0.055 175.719 175.800 -0.044 0.000 1.121 93 F CA -0.957 57.015 58.000 -0.046 0.000 0.911 93 F CB 1.829 40.807 39.000 -0.037 0.000 1.179 93 F HN 0.331 nan 8.300 nan 0.000 0.443 94 K N 2.057 122.518 120.400 0.101 0.000 2.156 94 K HA 0.804 5.097 4.320 -0.045 0.000 0.271 94 K C -1.578 175.062 176.600 0.067 0.000 0.995 94 K CA -0.643 55.681 56.287 0.061 0.000 0.890 94 K CB 1.900 34.414 32.500 0.023 0.000 1.073 94 K HN 0.450 nan 8.250 nan 0.000 0.454 95 V N 3.196 123.136 119.914 0.044 0.000 2.378 95 V HA 0.114 4.207 4.120 -0.045 0.000 0.288 95 V C -0.430 175.677 176.094 0.022 0.000 1.016 95 V CA -1.100 61.216 62.300 0.027 0.000 0.840 95 V CB 1.146 32.974 31.823 0.008 0.000 0.994 95 V HN 0.897 nan 8.190 nan 0.000 0.431 96 N N 3.401 122.114 118.700 0.021 0.000 2.468 96 N HA -0.010 4.703 4.740 -0.045 0.000 0.265 96 N C 1.499 177.020 175.510 0.019 0.000 1.199 96 N CA 0.795 53.857 53.050 0.021 0.000 0.928 96 N CB 1.695 40.194 38.487 0.020 0.000 1.059 96 N HN 0.837 nan 8.380 nan 0.000 0.467 97 T N 0.247 114.815 114.554 0.023 0.000 2.881 97 T HA -0.103 4.220 4.350 -0.045 0.000 0.270 97 T C 1.618 176.332 174.700 0.022 0.000 1.068 97 T CA 1.248 63.362 62.100 0.023 0.000 1.131 97 T CB -0.217 68.669 68.868 0.031 0.000 0.871 97 T HN 0.372 nan 8.240 nan 0.000 0.479 98 S N 1.324 117.037 115.700 0.022 0.000 2.481 98 S HA 0.109 4.552 4.470 -0.045 0.000 0.231 98 S C 1.128 175.737 174.600 0.015 0.000 0.996 98 S CA 0.378 58.589 58.200 0.020 0.000 0.942 98 S CB -0.115 63.097 63.200 0.020 0.000 0.768 98 S HN 0.538 nan 8.310 nan 0.000 0.520 99 R N 1.567 122.075 120.500 0.013 0.000 2.748 99 R HA 0.240 4.552 4.340 -0.045 0.000 0.283 99 R C -3.015 173.288 176.300 0.005 0.000 1.507 99 R CA -1.653 54.453 56.100 0.009 0.000 1.666 99 R CB 0.870 31.177 30.300 0.011 0.000 1.237 99 R HN 0.188 nan 8.270 nan 0.000 0.633 100 P HA -0.002 nan 4.420 nan 0.000 0.268 100 P C 0.765 178.057 177.300 -0.014 0.000 1.204 100 P CA 0.900 63.996 63.100 -0.007 0.000 0.768 100 P CB 1.092 32.791 31.700 -0.002 0.000 0.842 101 G N 1.927 110.710 108.800 -0.028 0.000 2.175 101 G HA2 -0.201 3.732 3.960 -0.045 0.000 0.244 101 G HA3 -0.201 3.732 3.960 -0.045 0.000 0.244 101 G C -0.191 174.694 174.900 -0.024 0.000 0.982 101 G CA -0.274 44.805 45.100 -0.035 0.000 0.641 101 G HN 0.593 nan 8.290 nan 0.000 0.527 102 E N 0.919 121.113 120.200 -0.010 0.000 2.114 102 E HA 0.458 4.781 4.350 -0.045 0.000 0.266 102 E C -0.453 176.158 176.600 0.018 0.000 0.896 102 E CA -0.396 56.006 56.400 0.004 0.000 0.750 102 E CB 1.171 30.876 29.700 0.008 0.000 1.121 102 E HN 0.537 nan 8.360 nan 0.000 0.413 103 E N 2.364 122.584 120.200 0.034 0.000 2.195 103 E HA 0.242 4.565 4.350 -0.045 0.000 0.271 103 E C -0.735 175.938 176.600 0.121 0.000 0.923 103 E CA -0.644 55.808 56.400 0.086 0.000 0.790 103 E CB 2.158 31.906 29.700 0.081 0.000 1.155 103 E HN 0.275 nan 8.360 nan 0.000 0.402 104 Q N 2.760 122.636 119.800 0.128 0.000 2.327 104 Q HA 0.238 4.551 4.340 -0.045 0.000 0.270 104 Q C -0.910 175.117 176.000 0.044 0.000 1.022 104 Q CA -0.761 55.093 55.803 0.085 0.000 0.773 104 Q CB 1.437 30.194 28.738 0.033 0.000 1.251 104 Q HN 0.396 nan 8.270 nan 0.000 0.457 105 R N 3.543 124.027 120.500 -0.026 0.000 2.538 105 R HA 0.063 4.376 4.340 -0.045 0.000 0.282 105 R C -0.526 175.612 176.300 -0.270 0.000 1.009 105 R CA 0.184 56.048 56.100 -0.393 0.000 1.063 105 R CB 0.339 30.402 30.300 -0.395 0.000 0.945 105 R HN 0.600 nan 8.270 nan 0.000 0.414 106 L N 5.811 126.836 121.223 -0.330 0.000 2.401 106 L HA 0.093 4.405 4.340 -0.045 0.000 0.283 106 L C 0.947 177.695 176.870 -0.203 0.000 1.151 106 L CA -0.183 54.532 54.840 -0.208 0.000 0.942 106 L CB 0.794 42.738 42.059 -0.192 0.000 1.283 106 L HN 0.708 nan 8.230 nan 0.000 0.442 107 E N 2.041 122.154 120.200 -0.146 0.000 2.347 107 E HA -0.117 4.206 4.350 -0.045 0.000 0.196 107 E C 1.966 178.515 176.600 -0.085 0.000 1.008 107 E CA 0.857 57.186 56.400 -0.118 0.000 0.852 107 E CB 0.322 29.974 29.700 -0.081 0.000 0.783 107 E HN 0.766 nan 8.360 nan 0.000 0.505 108 A N 1.086 123.866 122.820 -0.067 0.000 2.067 108 A HA -0.041 4.251 4.320 -0.045 0.000 0.219 108 A C 1.399 178.955 177.584 -0.048 0.000 1.158 108 A CA 0.468 52.482 52.037 -0.039 0.000 0.661 108 A CB 0.099 19.092 19.000 -0.012 0.000 0.801 108 A HN 0.035 nan 8.150 nan 0.000 0.452 109 V N 2.526 122.389 119.914 -0.085 0.000 2.320 109 V HA 0.196 4.289 4.120 -0.045 0.000 0.265 109 V C -0.043 175.980 176.094 -0.118 0.000 1.048 109 V CA -0.902 61.334 62.300 -0.107 0.000 0.865 109 V CB 0.285 32.002 31.823 -0.175 0.000 1.043 109 V HN 0.646 nan 8.190 nan 0.000 0.474 110 K N 5.749 126.096 120.400 -0.088 0.000 2.380 110 K HA 0.323 4.616 4.320 -0.045 0.000 0.267 110 K C -2.687 173.876 176.600 -0.062 0.000 0.990 110 K CA -1.191 55.055 56.287 -0.067 0.000 0.946 110 K CB -0.565 31.909 32.500 -0.044 0.000 0.937 110 K HN 0.274 nan 8.250 nan 0.000 0.491 111 P HA -0.028 nan 4.420 nan 0.000 0.262 111 P C -0.785 176.513 177.300 -0.004 0.000 1.182 111 P CA 0.334 63.422 63.100 -0.020 0.000 0.761 111 P CB 0.392 32.084 31.700 -0.014 0.000 0.795 112 M N -0.052 119.565 119.600 0.029 0.000 2.773 112 M HA 0.469 4.922 4.480 -0.045 0.000 0.270 112 M C -0.756 175.625 176.300 0.135 0.000 1.238 112 M CA -1.222 54.116 55.300 0.063 0.000 0.832 112 M CB 2.225 34.871 32.600 0.076 0.000 1.672 112 M HN -0.102 nan 8.290 nan 0.000 0.480 113 R N 1.915 122.511 120.500 0.159 0.000 2.309 113 R HA 0.334 4.647 4.340 -0.045 0.000 0.331 113 R C -1.031 175.475 176.300 0.344 0.000 1.116 113 R CA -0.338 55.932 56.100 0.284 0.000 0.970 113 R CB 0.145 30.584 30.300 0.232 0.000 1.024 113 R HN 0.624 nan 8.270 nan 0.000 0.472 114 I N 7.312 128.154 120.570 0.453 0.000 2.436 114 I HA -0.052 4.091 4.170 -0.045 0.000 0.289 114 I C 1.278 177.531 176.117 0.227 0.000 1.083 114 I CA 0.198 61.654 61.300 0.261 0.000 1.372 114 I CB 1.134 39.178 38.000 0.073 0.000 1.408 114 I HN 0.761 nan 8.210 nan 0.000 0.516 115 L N 4.900 126.274 121.223 0.251 0.000 2.354 115 L HA 0.060 4.373 4.340 -0.045 0.000 0.212 115 L C 0.808 177.895 176.870 0.361 0.000 1.091 115 L CA 0.439 55.440 54.840 0.269 0.000 0.828 115 L CB -0.145 41.952 42.059 0.063 0.000 0.973 115 L HN 0.810 nan 8.230 nan 0.000 0.461 116 S N -1.478 114.415 115.700 0.322 0.000 2.627 116 S HA 0.741 5.184 4.470 -0.045 0.000 0.268 116 S C -0.742 174.053 174.600 0.324 0.000 1.130 116 S CA -0.151 58.261 58.200 0.353 0.000 0.819 116 S CB 1.700 65.182 63.200 0.469 0.000 1.100 116 S HN 0.149 nan 8.310 nan 0.000 0.465 117 G N -0.361 108.609 108.800 0.283 0.000 2.411 117 G HA2 0.542 4.475 3.960 -0.045 0.000 0.295 117 G HA3 0.542 4.475 3.960 -0.045 0.000 0.295 117 G C -2.071 172.960 174.900 0.218 0.000 1.542 117 G CA -0.173 45.098 45.100 0.285 0.000 0.814 117 G HN 1.336 nan 8.290 nan 0.000 0.557 118 V N 0.563 120.604 119.914 0.212 0.000 2.823 118 V HA 0.690 4.783 4.120 -0.045 0.000 0.312 118 V C -1.249 174.916 176.094 0.119 0.000 1.072 118 V CA -0.645 61.757 62.300 0.169 0.000 0.937 118 V CB 2.218 34.151 31.823 0.184 0.000 1.013 118 V HN 0.850 nan 8.190 nan 0.000 0.430 119 D N 1.591 122.036 120.400 0.075 0.000 2.440 119 D HA 0.321 4.933 4.640 -0.045 0.000 0.239 119 D C 1.022 177.264 176.300 -0.097 0.000 1.084 119 D CA 0.061 54.072 54.000 0.018 0.000 0.843 119 D CB 2.075 42.898 40.800 0.038 0.000 1.097 119 D HN 0.668 nan 8.370 nan 0.000 0.531 120 T N 0.809 115.224 114.554 -0.231 0.000 3.085 120 T HA 0.244 4.566 4.350 -0.045 0.000 0.263 120 T C 1.539 176.151 174.700 -0.147 0.000 1.127 120 T CA 0.780 62.589 62.100 -0.486 0.000 1.103 120 T CB -0.006 68.597 68.868 -0.442 0.000 0.921 120 T HN 0.689 nan 8.240 nan 0.000 0.510 121 G N 1.065 109.837 108.800 -0.047 0.000 2.258 121 G HA2 -0.238 3.695 3.960 -0.045 0.000 0.233 121 G HA3 -0.238 3.695 3.960 -0.045 0.000 0.233 121 G C 0.714 175.620 174.900 0.009 0.000 1.006 121 G CA 0.340 45.445 45.100 0.009 0.000 0.620 121 G HN 0.575 nan 8.290 nan 0.000 0.511 122 E N -0.357 119.839 120.200 -0.007 0.000 2.508 122 E HA 0.583 4.906 4.350 -0.045 0.000 0.217 122 E C 0.565 177.171 176.600 0.011 0.000 0.896 122 E CA 0.582 56.986 56.400 0.007 0.000 1.118 122 E CB 1.341 31.047 29.700 0.010 0.000 1.133 122 E HN 0.954 nan 8.360 nan 0.000 0.526 123 A N 0.988 123.809 122.820 0.001 0.000 2.488 123 A HA 0.545 4.838 4.320 -0.045 0.000 0.298 123 A C -1.102 176.509 177.584 0.045 0.000 1.044 123 A CA -0.544 51.511 52.037 0.030 0.000 0.693 123 A CB 1.599 20.616 19.000 0.028 0.000 1.272 123 A HN -0.020 nan 8.150 nan 0.000 0.402 124 V N 2.594 122.569 119.914 0.102 0.000 2.350 124 V HA 0.475 4.568 4.120 -0.045 0.000 0.276 124 V C -0.323 175.949 176.094 0.296 0.000 1.028 124 V CA -0.405 61.994 62.300 0.164 0.000 0.860 124 V CB 1.182 33.086 31.823 0.135 0.000 0.990 124 V HN 0.647 nan 8.190 nan 0.000 0.453 125 V N 6.973 127.055 119.914 0.279 0.000 2.448 125 V HA 0.713 4.806 4.120 -0.045 0.000 0.295 125 V C -0.464 175.856 176.094 0.375 0.000 1.025 125 V CA -0.515 61.940 62.300 0.258 0.000 0.859 125 V CB 1.271 33.185 31.823 0.151 0.000 0.988 125 V HN 0.822 nan 8.190 nan 0.000 0.431 126 F N 1.410 121.468 119.950 0.179 0.000 2.686 126 F HA 0.862 5.362 4.527 -0.045 0.000 0.311 126 F C -0.280 175.663 175.800 0.239 0.000 1.128 126 F CA -0.854 57.261 58.000 0.193 0.000 0.946 126 F CB 1.708 40.799 39.000 0.151 0.000 1.336 126 F HN 0.428 nan 8.300 nan 0.000 0.457 127 T N -0.789 113.959 114.554 0.324 0.000 2.888 127 T HA 0.892 5.215 4.350 -0.045 0.000 0.284 127 T C -0.334 174.572 174.700 0.343 0.000 1.017 127 T CA -0.425 61.797 62.100 0.203 0.000 1.022 127 T CB 1.447 70.379 68.868 0.107 0.000 1.013 127 T HN 1.405 nan 8.240 nan 0.000 0.465 128 G N -0.188 108.803 108.800 0.317 0.000 2.718 128 G HA2 0.701 4.634 3.960 -0.045 0.000 0.295 128 G HA3 0.701 4.634 3.960 -0.045 0.000 0.295 128 G C -1.539 173.478 174.900 0.195 0.000 1.421 128 G CA -0.786 44.503 45.100 0.315 0.000 0.902 128 G HN 1.059 nan 8.290 nan 0.000 0.501 129 A N 0.665 123.557 122.820 0.121 0.000 2.318 129 A HA 0.892 5.185 4.320 -0.045 0.000 0.317 129 A C 0.493 178.118 177.584 0.069 0.000 1.159 129 A CA 0.095 52.154 52.037 0.036 0.000 0.799 129 A CB 1.109 20.071 19.000 -0.064 0.000 1.194 129 A HN 1.542 nan 8.150 nan 0.000 0.479 130 T N -1.353 113.233 114.554 0.054 0.000 2.876 130 T HA 0.403 4.725 4.350 -0.045 0.000 0.277 130 T C 0.933 175.640 174.700 0.011 0.000 0.997 130 T CA -0.050 62.074 62.100 0.040 0.000 0.966 130 T CB 0.786 69.684 68.868 0.051 0.000 1.312 130 T HN 0.514 nan 8.240 nan 0.000 0.598 131 E N 0.850 121.052 120.200 0.004 0.000 2.110 131 E HA -0.189 4.134 4.350 -0.045 0.000 0.193 131 E C 1.372 177.958 176.600 -0.023 0.000 0.988 131 E CA 1.953 58.345 56.400 -0.013 0.000 0.804 131 E CB -0.218 29.474 29.700 -0.013 0.000 0.745 131 E HN 0.822 nan 8.360 nan 0.000 0.458 132 D N -0.593 119.798 120.400 -0.015 0.000 2.392 132 D HA -0.037 4.576 4.640 -0.045 0.000 0.206 132 D C 0.847 177.128 176.300 -0.032 0.000 1.046 132 D CA -0.028 53.959 54.000 -0.022 0.000 0.865 132 D CB 0.263 41.055 40.800 -0.013 0.000 0.969 132 D HN 0.159 nan 8.370 nan 0.000 0.509 133 R N -0.882 119.600 120.500 -0.030 0.000 2.716 133 R HA 0.579 4.892 4.340 -0.045 0.000 0.271 133 R C -1.898 174.366 176.300 -0.061 0.000 1.028 133 R CA -0.936 55.130 56.100 -0.057 0.000 0.883 133 R CB 1.263 31.524 30.300 -0.065 0.000 1.250 133 R HN -0.172 nan 8.270 nan 0.000 0.465 134 V N 0.582 120.429 119.914 -0.111 0.000 2.483 134 V HA 0.874 4.967 4.120 -0.045 0.000 0.295 134 V C -0.245 175.742 176.094 -0.179 0.000 1.035 134 V CA -0.291 61.933 62.300 -0.126 0.000 0.896 134 V CB 1.145 32.865 31.823 -0.172 0.000 0.986 134 V HN 0.999 nan 8.190 nan 0.000 0.447 135 A N 3.984 126.685 122.820 -0.199 0.000 2.587 135 A HA 0.868 5.161 4.320 -0.045 0.000 0.293 135 A C -1.608 175.665 177.584 -0.519 0.000 1.087 135 A CA -0.627 51.145 52.037 -0.442 0.000 0.692 135 A CB 1.744 20.340 19.000 -0.674 0.000 1.291 135 A HN 0.850 nan 8.150 nan 0.000 0.407 136 L N 1.102 121.984 121.223 -0.568 0.000 2.282 136 L HA 0.748 5.061 4.340 -0.045 0.000 0.288 136 L C -1.527 174.967 176.870 -0.627 0.000 1.033 136 L CA -0.066 54.517 54.840 -0.429 0.000 0.807 136 L CB 0.413 42.327 42.059 -0.242 0.000 1.209 136 L HN 0.610 nan 8.230 nan 0.000 0.423 137 Y N 3.465 123.466 120.300 -0.499 0.000 2.524 137 Y HA 0.803 5.326 4.550 -0.045 0.000 0.344 137 Y C 0.055 175.698 175.900 -0.428 0.000 1.012 137 Y CA -0.737 57.010 58.100 -0.590 0.000 1.068 137 Y CB 2.183 39.937 38.460 -1.176 0.000 1.249 137 Y HN 0.706 nan 8.280 nan 0.000 0.468 138 A N 2.670 125.479 122.820 -0.019 0.000 2.343 138 A HA 0.684 4.977 4.320 -0.045 0.000 0.308 138 A C -2.087 175.581 177.584 0.139 0.000 1.092 138 A CA -0.590 51.490 52.037 0.071 0.000 0.751 138 A CB 1.056 20.086 19.000 0.050 0.000 1.203 138 A HN 0.630 nan 8.150 nan 0.000 0.452 139 L N 3.466 124.814 121.223 0.209 0.000 2.298 139 L HA 0.703 5.016 4.340 -0.045 0.000 0.284 139 L C -0.609 176.323 176.870 0.103 0.000 1.013 139 L CA -0.074 54.865 54.840 0.165 0.000 0.824 139 L CB 1.007 43.187 42.059 0.201 0.000 1.221 139 L HN 0.890 nan 8.230 nan 0.000 0.418 140 D N 2.293 122.735 120.400 0.069 0.000 2.846 140 D HA 0.408 5.021 4.640 -0.045 0.000 0.273 140 D C 0.950 177.271 176.300 0.035 0.000 1.145 140 D CA -0.017 54.011 54.000 0.047 0.000 1.091 140 D CB 0.209 41.033 40.800 0.041 0.000 1.364 140 D HN 0.364 nan 8.370 nan 0.000 0.613 141 G N -1.354 107.462 108.800 0.027 0.000 2.471 141 G HA2 0.065 3.998 3.960 -0.045 0.000 0.219 141 G HA3 0.065 3.998 3.960 -0.045 0.000 0.219 141 G C 1.149 176.061 174.900 0.020 0.000 1.125 141 G CA 0.600 45.713 45.100 0.021 0.000 0.775 141 G HN 0.608 nan 8.290 nan 0.000 0.548 142 G N -0.709 108.105 108.800 0.023 0.000 3.141 142 G HA2 0.490 4.423 3.960 -0.045 0.000 0.218 142 G HA3 0.490 4.423 3.960 -0.045 0.000 0.218 142 G C 0.783 175.698 174.900 0.024 0.000 1.170 142 G CA 0.515 45.628 45.100 0.021 0.000 0.769 142 G HN 1.186 nan 8.290 nan 0.000 0.546 143 G N -0.664 108.154 108.800 0.030 0.000 2.447 143 G HA2 0.112 4.044 3.960 -0.045 0.000 0.220 143 G HA3 0.112 4.044 3.960 -0.045 0.000 0.220 143 G C -1.029 173.903 174.900 0.054 0.000 1.261 143 G CA -0.341 44.780 45.100 0.034 0.000 1.000 143 G HN 0.864 nan 8.290 nan 0.000 0.515 144 L N 0.648 121.907 121.223 0.060 0.000 2.289 144 L HA 0.892 5.204 4.340 -0.045 0.000 0.285 144 L C 0.456 177.381 176.870 0.092 0.000 1.049 144 L CA -0.497 54.399 54.840 0.093 0.000 0.804 144 L CB 1.143 43.255 42.059 0.089 0.000 1.195 144 L HN 0.691 nan 8.230 nan 0.000 0.428 145 R N 3.490 124.053 120.500 0.105 0.000 2.621 145 R HA 0.357 4.670 4.340 -0.045 0.000 0.292 145 R C -1.115 175.233 176.300 0.080 0.000 0.969 145 R CA -0.738 55.406 56.100 0.074 0.000 0.887 145 R CB 1.952 32.273 30.300 0.034 0.000 1.180 145 R HN 0.622 nan 8.270 nan 0.000 0.450 146 E N 3.976 124.189 120.200 0.021 0.000 2.105 146 E HA 0.082 4.405 4.350 -0.045 0.000 0.285 146 E C 0.496 176.986 176.600 -0.184 0.000 1.055 146 E CA -0.133 56.158 56.400 -0.180 0.000 0.843 146 E CB 0.731 30.314 29.700 -0.194 0.000 1.067 146 E HN 0.545 nan 8.360 nan 0.000 0.398 147 L N 3.048 124.138 121.223 -0.222 0.000 2.131 147 L HA 0.196 4.509 4.340 -0.045 0.000 0.206 147 L C 0.843 177.611 176.870 -0.171 0.000 1.087 147 L CA 0.545 55.297 54.840 -0.147 0.000 0.767 147 L CB -0.101 41.895 42.059 -0.106 0.000 0.917 147 L HN 0.482 nan 8.230 nan 0.000 0.441 148 A N -1.066 121.598 122.820 -0.259 0.000 2.605 148 A HA 0.498 4.791 4.320 -0.045 0.000 0.294 148 A C -1.027 176.355 177.584 -0.336 0.000 1.062 148 A CA -0.499 51.383 52.037 -0.259 0.000 0.682 148 A CB 1.397 20.256 19.000 -0.236 0.000 1.278 148 A HN -0.142 nan 8.150 nan 0.000 0.410 149 R N 1.140 121.466 120.500 -0.290 0.000 2.265 149 R HA 0.652 4.965 4.340 -0.045 0.000 0.314 149 R C -0.678 175.414 176.300 -0.346 0.000 1.053 149 R CA -0.202 55.724 56.100 -0.290 0.000 0.931 149 R CB -0.243 29.926 30.300 -0.218 0.000 1.024 149 R HN 0.633 nan 8.270 nan 0.000 0.457 150 L N 6.225 127.224 121.223 -0.373 0.000 2.334 150 L HA 0.470 4.783 4.340 -0.045 0.000 0.275 150 L C -1.311 175.280 176.870 -0.465 0.000 1.036 150 L CA -2.417 52.112 54.840 -0.519 0.000 0.807 150 L CB 1.981 43.820 42.059 -0.366 0.000 1.231 150 L HN 0.491 nan 8.230 nan 0.000 0.438 151 P HA -0.066 nan 4.420 nan 0.000 0.218 151 P C 0.494 177.740 177.300 -0.089 0.000 1.148 151 P CA 0.689 63.577 63.100 -0.354 0.000 0.822 151 P CB 0.338 31.793 31.700 -0.409 0.000 0.784 152 G N -2.994 105.842 108.800 0.061 0.000 2.664 152 G HA2 0.350 4.283 3.960 -0.045 0.000 0.303 152 G HA3 0.350 4.283 3.960 -0.045 0.000 0.303 152 G C -1.376 173.636 174.900 0.188 0.000 1.243 152 G CA -0.824 44.372 45.100 0.160 0.000 0.826 152 G HN -0.138 nan 8.290 nan 0.000 0.498 153 F N 1.216 121.231 119.950 0.108 0.000 2.579 153 F HA 0.349 4.849 4.527 -0.045 0.000 0.397 153 F C 1.297 177.111 175.800 0.023 0.000 1.027 153 F CA 1.872 59.819 58.000 -0.089 0.000 1.217 153 F CB 0.526 39.417 39.000 -0.182 0.000 0.986 153 F HN 0.550 nan 8.300 nan 0.000 0.551 154 G N 3.519 112.246 108.800 -0.120 0.000 2.667 154 G HA2 0.675 4.608 3.960 -0.045 0.000 0.298 154 G HA3 0.675 4.608 3.960 -0.045 0.000 0.298 154 G C -2.004 172.715 174.900 -0.301 0.000 1.377 154 G CA -0.696 44.424 45.100 0.033 0.000 0.964 154 G HN 0.362 nan 8.290 nan 0.000 0.493 155 F N 0.626 120.849 119.950 0.456 0.000 2.547 155 F HA 0.460 4.960 4.527 -0.045 0.000 0.316 155 F C 0.227 176.196 175.800 0.281 0.000 1.121 155 F CA -1.032 57.166 58.000 0.329 0.000 0.911 155 F CB 2.517 41.663 39.000 0.245 0.000 1.179 155 F HN 0.282 nan 8.300 nan 0.000 0.443 156 V N 2.445 122.604 119.914 0.408 0.000 2.508 156 V HA 0.135 4.228 4.120 -0.045 0.000 0.281 156 V C 0.384 176.586 176.094 0.180 0.000 1.041 156 V CA 0.283 62.736 62.300 0.254 0.000 1.016 156 V CB 1.075 33.056 31.823 0.264 0.000 0.984 156 V HN 0.997 nan 8.190 nan 0.000 0.478 157 S N 2.247 117.977 115.700 0.050 0.000 2.468 157 S HA 0.144 4.587 4.470 -0.045 0.000 0.226 157 S C 0.259 174.900 174.600 0.068 0.000 1.051 157 S CA 0.254 58.480 58.200 0.043 0.000 0.943 157 S CB 0.150 63.311 63.200 -0.065 0.000 0.810 157 S HN 0.942 nan 8.310 nan 0.000 0.509 158 D N -0.954 119.479 120.400 0.055 0.000 2.685 158 D HA 0.430 5.043 4.640 -0.045 0.000 0.236 158 D C -1.924 174.446 176.300 0.115 0.000 1.233 158 D CA -0.390 53.669 54.000 0.098 0.000 0.760 158 D CB 1.059 41.882 40.800 0.039 0.000 1.410 158 D HN -0.007 nan 8.370 nan 0.000 0.439 159 I N 1.923 122.618 120.570 0.209 0.000 2.533 159 I HA 0.496 4.639 4.170 -0.045 0.000 0.290 159 I C -0.494 175.764 176.117 0.234 0.000 1.056 159 I CA -0.803 60.617 61.300 0.200 0.000 1.057 159 I CB 2.166 40.279 38.000 0.188 0.000 1.240 159 I HN 0.150 nan 8.210 nan 0.000 0.423 160 R N 4.205 124.782 120.500 0.128 0.000 2.514 160 R HA 0.582 4.895 4.340 -0.045 0.000 0.296 160 R C 0.413 176.757 176.300 0.073 0.000 1.012 160 R CA 0.319 56.479 56.100 0.100 0.000 0.897 160 R CB 1.806 32.110 30.300 0.008 0.000 1.184 160 R HN 0.903 nan 8.270 nan 0.000 0.440 161 G N 3.613 112.466 108.800 0.088 0.000 2.629 161 G HA2 -0.412 3.521 3.960 -0.045 0.000 0.313 161 G HA3 -0.412 3.521 3.960 -0.045 0.000 0.313 161 G C 0.405 175.338 174.900 0.056 0.000 1.217 161 G CA 0.784 45.919 45.100 0.058 0.000 0.994 161 G HN 0.673 nan 8.290 nan 0.000 0.549 162 D N -0.281 120.143 120.400 0.040 0.000 2.350 162 D HA 0.299 4.912 4.640 -0.045 0.000 0.213 162 D C 0.870 177.197 176.300 0.045 0.000 1.031 162 D CA -0.078 53.945 54.000 0.039 0.000 0.861 162 D CB 0.051 40.869 40.800 0.030 0.000 0.926 162 D HN 0.327 nan 8.370 nan 0.000 0.520 163 L N 1.161 122.410 121.223 0.043 0.000 2.292 163 L HA 0.441 4.754 4.340 -0.045 0.000 0.284 163 L C -0.728 176.175 176.870 0.054 0.000 1.065 163 L CA -0.231 54.634 54.840 0.042 0.000 0.806 163 L CB 0.960 43.030 42.059 0.017 0.000 1.175 163 L HN -0.125 nan 8.230 nan 0.000 0.431 164 I N 4.936 125.546 120.570 0.067 0.000 2.433 164 I HA 0.659 4.802 4.170 -0.045 0.000 0.292 164 I C -0.193 175.938 176.117 0.023 0.000 1.001 164 I CA -0.426 60.918 61.300 0.074 0.000 1.119 164 I CB 1.778 39.853 38.000 0.126 0.000 1.289 164 I HN 0.760 nan 8.210 nan 0.000 0.438 165 A N 4.328 127.110 122.820 -0.064 0.000 2.350 165 A HA 0.970 5.263 4.320 -0.045 0.000 0.324 165 A C -0.213 177.115 177.584 -0.427 0.000 1.118 165 A CA -0.429 51.469 52.037 -0.231 0.000 0.783 165 A CB 1.502 20.383 19.000 -0.197 0.000 1.236 165 A HN 0.836 nan 8.150 nan 0.000 0.457 166 G N -0.216 108.007 108.800 -0.961 0.000 2.687 166 G HA2 0.596 4.529 3.960 -0.045 0.000 0.291 166 G HA3 0.596 4.529 3.960 -0.045 0.000 0.291 166 G C -1.677 172.677 174.900 -0.909 0.000 1.420 166 G CA -0.676 43.729 45.100 -1.159 0.000 0.796 166 G HN 0.727 nan 8.290 nan 0.000 0.485 167 L N 0.126 121.184 121.223 -0.275 0.000 2.365 167 L HA 0.748 5.061 4.340 -0.045 0.000 0.273 167 L C 0.353 177.344 176.870 0.203 0.000 1.000 167 L CA -0.840 53.990 54.840 -0.017 0.000 0.819 167 L CB 2.442 44.526 42.059 0.042 0.000 1.284 167 L HN 0.733 nan 8.230 nan 0.000 0.418 168 G N 1.390 110.053 108.800 -0.228 0.000 2.609 168 G HA2 0.576 4.509 3.960 -0.045 0.000 0.308 168 G HA3 0.576 4.509 3.960 -0.045 0.000 0.308 168 G C -1.118 173.328 174.900 -0.756 0.000 1.369 168 G CA -0.321 44.185 45.100 -0.990 0.000 0.958 168 G HN 0.324 nan 8.290 nan 0.000 0.499 169 F N 2.889 122.762 119.950 -0.129 0.000 2.605 169 F HA 0.315 4.815 4.527 -0.045 0.000 0.352 169 F C 0.781 176.807 175.800 0.375 0.000 1.236 169 F CA -0.509 57.591 58.000 0.167 0.000 1.267 169 F CB 0.001 39.211 39.000 0.351 0.000 1.632 169 F HN 0.508 nan 8.300 nan 0.000 0.639 170 F N 0.733 120.849 119.950 0.278 0.000 2.664 170 F HA 0.429 4.929 4.527 -0.045 0.000 0.303 170 F C 1.159 177.059 175.800 0.167 0.000 1.092 170 F CA -0.378 57.739 58.000 0.193 0.000 1.305 170 F CB 0.480 39.557 39.000 0.128 0.000 1.054 170 F HN 0.388 nan 8.300 nan 0.000 0.565 171 G N -1.063 107.955 108.800 0.363 0.000 2.351 171 G HA2 0.340 4.272 3.960 -0.045 0.000 0.296 171 G HA3 0.340 4.272 3.960 -0.045 0.000 0.296 171 G C 0.195 175.222 174.900 0.211 0.000 1.685 171 G CA -0.302 44.950 45.100 0.253 0.000 0.936 171 G HN 0.319 nan 8.290 nan 0.000 0.714 172 G N -0.550 108.358 108.800 0.180 0.000 2.187 172 G HA2 0.267 4.200 3.960 -0.045 0.000 0.261 172 G HA3 0.267 4.200 3.960 -0.045 0.000 0.261 172 G C 2.118 177.125 174.900 0.179 0.000 1.000 172 G CA 1.460 46.645 45.100 0.142 0.000 0.718 172 G HN 2.930 nan 8.290 nan 0.000 0.519 173 G N -1.501 107.479 108.800 0.300 0.000 2.184 173 G HA2 -0.324 3.609 3.960 -0.045 0.000 0.264 173 G HA3 -0.324 3.609 3.960 -0.045 0.000 0.264 173 G C 0.534 175.507 174.900 0.121 0.000 0.975 173 G CA 1.154 46.484 45.100 0.384 0.000 0.642 173 G HN 1.054 nan 8.290 nan 0.000 0.536 174 R N -0.299 120.244 120.500 0.072 0.000 2.490 174 R HA 0.510 4.823 4.340 -0.045 0.000 0.278 174 R C -0.055 176.134 176.300 -0.184 0.000 1.069 174 R CA -0.439 55.623 56.100 -0.064 0.000 1.080 174 R CB 1.542 31.836 30.300 -0.010 0.000 1.030 174 R HN 0.090 nan 8.270 nan 0.000 0.491 175 V N 2.201 121.921 119.914 -0.324 0.000 2.370 175 V HA 0.205 4.298 4.120 -0.045 0.000 0.279 175 V C 0.021 176.037 176.094 -0.130 0.000 1.029 175 V CA -0.501 61.527 62.300 -0.452 0.000 0.870 175 V CB 1.504 32.966 31.823 -0.602 0.000 0.984 175 V HN 0.764 nan 8.190 nan 0.000 0.451 176 S N 4.391 120.019 115.700 -0.119 0.000 2.654 176 S HA 0.676 5.119 4.470 -0.045 0.000 0.283 176 S C -0.391 174.264 174.600 0.092 0.000 1.180 176 S CA -0.505 57.765 58.200 0.118 0.000 1.021 176 S CB 1.723 64.995 63.200 0.121 0.000 1.018 176 S HN 0.580 nan 8.310 nan 0.000 0.532 177 L N 3.122 124.410 121.223 0.108 0.000 2.350 177 L HA 0.647 4.960 4.340 -0.045 0.000 0.275 177 L C -0.887 176.132 176.870 0.247 0.000 1.099 177 L CA -0.074 54.691 54.840 -0.126 0.000 0.808 177 L CB 0.109 41.785 42.059 -0.638 0.000 1.149 177 L HN 0.619 nan 8.230 nan 0.000 0.442 178 F N 1.384 121.422 119.950 0.146 0.000 2.599 178 F HA 0.894 5.394 4.527 -0.045 0.000 0.311 178 F C -0.551 175.379 175.800 0.218 0.000 1.076 178 F CA -0.504 57.653 58.000 0.262 0.000 0.937 178 F CB 1.271 40.444 39.000 0.288 0.000 1.282 178 F HN 0.583 nan 8.300 nan 0.000 0.460 179 T N -0.657 114.214 114.554 0.528 0.000 2.916 179 T HA 0.807 5.130 4.350 -0.045 0.000 0.292 179 T C -0.901 174.011 174.700 0.354 0.000 1.064 179 T CA -0.761 61.547 62.100 0.348 0.000 1.011 179 T CB 1.591 70.620 68.868 0.268 0.000 1.152 179 T HN 1.011 nan 8.240 nan 0.000 0.510 180 S N -0.180 115.665 115.700 0.241 0.000 2.656 180 S HA 0.532 4.974 4.470 -0.045 0.000 0.273 180 S C -1.840 172.824 174.600 0.106 0.000 1.168 180 S CA -0.902 57.393 58.200 0.158 0.000 0.817 180 S CB 1.329 64.621 63.200 0.154 0.000 1.146 180 S HN 0.756 nan 8.310 nan 0.000 0.475 181 N N 2.137 120.878 118.700 0.068 0.000 2.372 181 N HA 0.289 5.002 4.740 -0.045 0.000 0.291 181 N C 0.638 176.174 175.510 0.043 0.000 1.024 181 N CA -0.474 52.607 53.050 0.051 0.000 0.873 181 N CB 1.755 40.264 38.487 0.037 0.000 1.206 181 N HN 0.515 nan 8.380 nan 0.000 0.486 182 L N 3.627 124.877 121.223 0.045 0.000 2.042 182 L HA -0.199 4.114 4.340 -0.045 0.000 0.210 182 L C 2.238 179.125 176.870 0.028 0.000 1.076 182 L CA 1.983 56.846 54.840 0.039 0.000 0.749 182 L CB -0.672 41.412 42.059 0.042 0.000 0.893 182 L HN 0.682 nan 8.230 nan 0.000 0.432 183 S N -1.781 113.934 115.700 0.025 0.000 2.371 183 S HA -0.083 4.360 4.470 -0.045 0.000 0.224 183 S C 1.712 176.320 174.600 0.013 0.000 1.029 183 S CA 0.920 59.131 58.200 0.019 0.000 0.978 183 S CB -0.694 62.516 63.200 0.018 0.000 0.833 183 S HN 0.624 nan 8.310 nan 0.000 0.466 184 S N -0.079 115.628 115.700 0.011 0.000 2.603 184 S HA 0.586 5.029 4.470 -0.045 0.000 0.232 184 S C 1.274 175.871 174.600 -0.004 0.000 1.016 184 S CA 0.197 58.399 58.200 0.004 0.000 0.976 184 S CB -0.243 62.960 63.200 0.005 0.000 0.921 184 S HN 1.278 nan 8.310 nan 0.000 0.516 185 G N 1.451 110.249 108.800 -0.002 0.000 2.547 185 G HA2 0.250 4.183 3.960 -0.045 0.000 0.271 185 G HA3 0.250 4.183 3.960 -0.045 0.000 0.271 185 G C 0.536 175.428 174.900 -0.014 0.000 1.209 185 G CA -0.102 44.988 45.100 -0.016 0.000 0.959 185 G HN 2.084 nan 8.290 nan 0.000 0.563 186 G N -2.462 106.315 108.800 -0.039 0.000 2.795 186 G HA2 0.388 4.321 3.960 -0.045 0.000 0.664 186 G HA3 0.388 4.321 3.960 -0.045 0.000 0.664 186 G C -0.756 174.125 174.900 -0.033 0.000 1.381 186 G CA 0.306 45.381 45.100 -0.040 0.000 0.853 186 G HN 2.236 nan 8.290 nan 0.000 0.545 187 L N -0.433 120.765 121.223 -0.042 0.000 2.464 187 L HA 0.901 5.214 4.340 -0.045 0.000 0.266 187 L C -0.363 176.489 176.870 -0.030 0.000 0.965 187 L CA -0.802 54.020 54.840 -0.029 0.000 0.833 187 L CB 2.150 44.138 42.059 -0.118 0.000 1.296 187 L HN 1.108 nan 8.230 nan 0.000 0.405 188 R N 3.514 124.024 120.500 0.018 0.000 2.534 188 R HA 0.846 5.159 4.340 -0.045 0.000 0.301 188 R C -2.045 174.162 176.300 -0.155 0.000 0.961 188 R CA -0.504 55.512 56.100 -0.140 0.000 0.871 188 R CB 1.876 32.085 30.300 -0.151 0.000 1.170 188 R HN 0.387 nan 8.270 nan 0.000 0.446 189 V N 5.443 125.180 119.914 -0.295 0.000 2.495 189 V HA 0.574 4.667 4.120 -0.045 0.000 0.298 189 V C -1.002 174.896 176.094 -0.328 0.000 1.031 189 V CA -0.589 61.673 62.300 -0.063 0.000 0.871 189 V CB 1.401 33.305 31.823 0.135 0.000 0.988 189 V HN 0.607 nan 8.190 nan 0.000 0.432 190 F N 1.887 121.913 119.950 0.127 0.000 2.460 190 F HA 0.567 5.067 4.527 -0.045 0.000 0.341 190 F C 0.026 175.956 175.800 0.216 0.000 1.130 190 F CA -0.783 57.281 58.000 0.106 0.000 0.962 190 F CB 1.387 40.380 39.000 -0.013 0.000 1.171 190 F HN 0.386 nan 8.300 nan 0.000 0.436 191 D N 0.861 121.470 120.400 0.347 0.000 2.181 191 D HA 0.382 4.995 4.640 -0.045 0.000 0.248 191 D C -0.615 175.854 176.300 0.282 0.000 1.020 191 D CA -0.178 54.007 54.000 0.308 0.000 0.891 191 D CB 1.844 42.748 40.800 0.174 0.000 1.187 191 D HN 0.361 nan 8.370 nan 0.000 0.443 192 S N 0.382 116.164 115.700 0.136 0.000 2.489 192 S HA 0.518 4.961 4.470 -0.045 0.000 0.291 192 S C 1.295 175.877 174.600 -0.031 0.000 1.151 192 S CA -0.559 57.633 58.200 -0.015 0.000 1.082 192 S CB 1.285 64.306 63.200 -0.299 0.000 1.019 192 S HN 0.499 nan 8.310 nan 0.000 0.492 193 G N 2.523 111.319 108.800 -0.007 0.000 2.572 193 G HA2 0.004 3.937 3.960 -0.045 0.000 0.216 193 G HA3 0.004 3.937 3.960 -0.045 0.000 0.216 193 G C 0.908 175.788 174.900 -0.035 0.000 1.133 193 G CA 0.164 45.258 45.100 -0.009 0.000 0.791 193 G HN 0.820 nan 8.290 nan 0.000 0.538 194 E N -0.425 119.737 120.200 -0.063 0.000 2.435 194 E HA 0.327 4.650 4.350 -0.045 0.000 0.195 194 E C 1.362 177.900 176.600 -0.104 0.000 1.029 194 E CA 0.280 56.636 56.400 -0.073 0.000 0.865 194 E CB 0.474 30.127 29.700 -0.078 0.000 0.833 194 E HN 0.402 nan 8.360 nan 0.000 0.510 195 G N 0.063 108.771 108.800 -0.153 0.000 2.452 195 G HA2 0.121 4.054 3.960 -0.045 0.000 0.224 195 G HA3 0.121 4.054 3.960 -0.045 0.000 0.224 195 G C -1.232 173.504 174.900 -0.273 0.000 1.208 195 G CA -0.674 44.317 45.100 -0.181 0.000 0.946 195 G HN -0.006 nan 8.290 nan 0.000 0.481 196 S N -0.480 115.036 115.700 -0.307 0.000 2.526 196 S HA 0.716 5.159 4.470 -0.045 0.000 0.293 196 S C -0.984 173.389 174.600 -0.379 0.000 1.092 196 S CA -0.421 57.586 58.200 -0.321 0.000 0.980 196 S CB 1.180 64.233 63.200 -0.245 0.000 1.048 196 S HN 0.444 nan 8.310 nan 0.000 0.483 197 F N 2.103 121.976 119.950 -0.129 0.000 2.443 197 F HA 0.223 4.723 4.527 -0.045 0.000 0.353 197 F C 1.755 177.466 175.800 -0.148 0.000 1.101 197 F CA -0.062 57.865 58.000 -0.122 0.000 1.226 197 F CB 1.000 39.930 39.000 -0.117 0.000 1.140 197 F HN 0.699 nan 8.300 nan 0.000 0.557 198 S N -0.489 115.246 115.700 0.058 0.000 2.559 198 S HA 0.305 4.747 4.470 -0.045 0.000 0.226 198 S C -0.113 174.486 174.600 -0.002 0.000 1.030 198 S CA 0.269 58.467 58.200 -0.004 0.000 0.956 198 S CB -0.033 63.163 63.200 -0.006 0.000 0.900 198 S HN 0.578 nan 8.310 nan 0.000 0.510 199 S N -0.014 115.681 115.700 -0.009 0.000 2.558 199 S HA 0.811 5.254 4.470 -0.045 0.000 0.277 199 S C -1.012 173.511 174.600 -0.128 0.000 1.143 199 S CA -0.467 57.684 58.200 -0.082 0.000 0.865 199 S CB 1.092 64.228 63.200 -0.106 0.000 1.102 199 S HN 1.259 nan 8.310 nan 0.000 0.454 200 A N 0.728 123.433 122.820 -0.191 0.000 2.574 200 A HA 0.949 5.241 4.320 -0.045 0.000 0.297 200 A C -0.702 176.758 177.584 -0.208 0.000 1.062 200 A CA -0.562 51.351 52.037 -0.206 0.000 0.686 200 A CB 1.711 20.574 19.000 -0.228 0.000 1.285 200 A HN 1.734 nan 8.150 nan 0.000 0.403 201 S N 0.961 116.564 115.700 -0.161 0.000 2.562 201 S HA 0.538 4.981 4.470 -0.045 0.000 0.274 201 S C -1.200 173.429 174.600 0.049 0.000 1.160 201 S CA -0.498 57.662 58.200 -0.067 0.000 0.933 201 S CB 0.436 63.552 63.200 -0.140 0.000 1.100 201 S HN 0.687 nan 8.310 nan 0.000 0.468 202 I N 4.534 125.116 120.570 0.020 0.000 2.471 202 I HA 0.216 4.359 4.170 -0.045 0.000 0.286 202 I C 1.096 177.108 176.117 -0.174 0.000 1.079 202 I CA -0.076 61.195 61.300 -0.049 0.000 1.398 202 I CB 1.228 39.191 38.000 -0.063 0.000 1.403 202 I HN 0.715 nan 8.210 nan 0.000 0.530 203 S N 6.456 121.971 115.700 -0.309 0.000 2.608 203 S HA 0.280 4.723 4.470 -0.045 0.000 0.261 203 S C -1.796 172.504 174.600 -0.501 0.000 1.314 203 S CA -1.040 56.697 58.200 -0.772 0.000 0.992 203 S CB 0.679 63.618 63.200 -0.435 0.000 0.935 203 S HN 0.395 nan 8.310 nan 0.000 0.564 204 P HA 0.028 nan 4.420 nan 0.000 0.218 204 P C 1.407 178.596 177.300 -0.185 0.000 1.148 204 P CA 1.496 64.429 63.100 -0.277 0.000 0.822 204 P CB -0.457 31.099 31.700 -0.238 0.000 0.784 205 G N -1.260 107.431 108.800 -0.182 0.000 2.882 205 G HA2 -0.077 3.856 3.960 -0.045 0.000 0.206 205 G HA3 -0.077 3.856 3.960 -0.045 0.000 0.206 205 G C 0.569 175.406 174.900 -0.105 0.000 1.155 205 G CA 0.027 45.056 45.100 -0.119 0.000 0.800 205 G HN 0.032 nan 8.290 nan 0.000 0.524 206 M N -1.030 118.496 119.600 -0.123 0.000 2.653 206 M HA -0.141 4.312 4.480 -0.045 0.000 0.203 206 M C 0.171 176.416 176.300 -0.093 0.000 0.502 206 M CA 1.045 56.288 55.300 -0.095 0.000 0.601 206 M CB -2.345 30.219 32.600 -0.061 0.000 2.228 206 M HN 0.361 nan 8.290 nan 0.000 0.711 207 K N -0.498 119.834 120.400 -0.113 0.000 2.245 207 K HA 0.785 5.078 4.320 -0.045 0.000 0.234 207 K C 0.161 176.679 176.600 -0.136 0.000 1.021 207 K CA -0.930 55.284 56.287 -0.122 0.000 0.898 207 K CB 1.988 34.425 32.500 -0.105 0.000 1.163 207 K HN -0.026 nan 8.250 nan 0.000 0.459 208 V N 1.986 121.791 119.914 -0.181 0.000 2.311 208 V HA 0.127 4.220 4.120 -0.045 0.000 0.275 208 V C -0.304 175.694 176.094 -0.160 0.000 1.022 208 V CA -0.702 61.480 62.300 -0.196 0.000 0.830 208 V CB 0.991 32.618 31.823 -0.328 0.000 1.012 208 V HN 0.725 nan 8.190 nan 0.000 0.452 209 T N 4.914 119.428 114.554 -0.067 0.000 2.851 209 T HA 0.610 4.932 4.350 -0.045 0.000 0.298 209 T C 0.244 174.866 174.700 -0.129 0.000 0.977 209 T CA 0.059 62.121 62.100 -0.064 0.000 1.126 209 T CB 1.054 69.925 68.868 0.006 0.000 0.916 209 T HN 0.950 nan 8.240 nan 0.000 0.529 210 A N 2.421 125.181 122.820 -0.099 0.000 2.515 210 A HA 0.812 5.105 4.320 -0.045 0.000 0.298 210 A C 0.200 177.806 177.584 0.036 0.000 1.059 210 A CA -0.835 51.170 52.037 -0.052 0.000 0.698 210 A CB 1.475 20.433 19.000 -0.070 0.000 1.289 210 A HN 0.945 nan 8.150 nan 0.000 0.404 211 G N 0.131 108.955 108.800 0.040 0.000 2.355 211 G HA2 0.523 4.456 3.960 -0.045 0.000 0.276 211 G HA3 0.523 4.456 3.960 -0.045 0.000 0.276 211 G C -0.817 174.140 174.900 0.096 0.000 1.198 211 G CA -0.111 45.026 45.100 0.061 0.000 0.876 211 G HN 0.928 nan 8.290 nan 0.000 0.478 212 L N 1.960 123.197 121.223 0.024 0.000 2.298 212 L HA 0.475 4.788 4.340 -0.045 0.000 0.284 212 L C -0.077 176.724 176.870 -0.114 0.000 1.013 212 L CA -0.667 54.085 54.840 -0.147 0.000 0.824 212 L CB 1.310 43.253 42.059 -0.193 0.000 1.221 212 L HN 0.559 nan 8.230 nan 0.000 0.418 213 E N 3.570 123.685 120.200 -0.143 0.000 2.146 213 E HA 0.453 4.776 4.350 -0.045 0.000 0.282 213 E C -0.317 176.214 176.600 -0.115 0.000 0.989 213 E CA -0.369 55.974 56.400 -0.095 0.000 0.799 213 E CB 1.200 30.856 29.700 -0.074 0.000 1.088 213 E HN 0.739 nan 8.360 nan 0.000 0.397 214 T N -0.941 113.566 114.554 -0.079 0.000 2.841 214 T HA 0.549 4.872 4.350 -0.045 0.000 0.276 214 T C 1.398 176.081 174.700 -0.029 0.000 1.003 214 T CA -0.112 61.947 62.100 -0.069 0.000 0.995 214 T CB 1.334 70.162 68.868 -0.066 0.000 1.260 214 T HN 0.346 nan 8.240 nan 0.000 0.581 215 A N 0.816 123.627 122.820 -0.015 0.000 1.899 215 A HA -0.150 4.143 4.320 -0.045 0.000 0.230 215 A C 2.565 180.169 177.584 0.033 0.000 1.593 215 A CA 4.409 56.455 52.037 0.015 0.000 0.728 215 A CB -1.843 17.168 19.000 0.019 0.000 0.848 215 A HN 1.471 nan 8.150 nan 0.000 0.490 216 R N -2.450 118.054 120.500 0.007 0.000 2.411 216 R HA 0.554 4.867 4.340 -0.045 0.000 0.176 216 R C 1.380 177.665 176.300 -0.024 0.000 1.072 216 R CA 1.660 57.763 56.100 0.004 0.000 1.132 216 R CB -1.027 29.267 30.300 -0.010 0.000 1.203 216 R HN 1.236 nan 8.270 nan 0.000 0.537 217 E N 0.672 120.846 120.200 -0.043 0.000 2.343 217 E HA 0.706 5.029 4.350 -0.045 0.000 0.269 217 E C 0.035 176.601 176.600 -0.056 0.000 1.047 217 E CA -0.229 56.132 56.400 -0.065 0.000 0.874 217 E CB 1.044 30.698 29.700 -0.077 0.000 1.033 217 E HN 1.264 nan 8.360 nan 0.000 0.409 218 A N 1.746 124.531 122.820 -0.058 0.000 2.320 218 A HA 0.852 5.145 4.320 -0.045 0.000 0.334 218 A C 0.272 177.852 177.584 -0.007 0.000 1.147 218 A CA -0.283 51.739 52.037 -0.025 0.000 0.820 218 A CB 0.743 19.748 19.000 0.009 0.000 1.218 218 A HN 0.959 nan 8.150 nan 0.000 0.482 219 R N 0.744 121.269 120.500 0.042 0.000 2.781 219 R HA 0.734 5.047 4.340 -0.045 0.000 0.269 219 R C -1.892 174.494 176.300 0.142 0.000 1.025 219 R CA -0.904 55.264 56.100 0.113 0.000 0.914 219 R CB 0.927 31.257 30.300 0.051 0.000 1.236 219 R HN 0.466 nan 8.270 nan 0.000 0.465 220 L N 2.047 123.374 121.223 0.172 0.000 2.289 220 L HA 0.589 4.902 4.340 -0.045 0.000 0.285 220 L C -0.054 176.838 176.870 0.036 0.000 1.049 220 L CA -0.912 53.956 54.840 0.047 0.000 0.804 220 L CB 1.683 43.689 42.059 -0.088 0.000 1.195 220 L HN 0.588 nan 8.230 nan 0.000 0.428 221 V N -0.420 119.515 119.914 0.035 0.000 3.102 221 V HA 0.684 4.777 4.120 -0.045 0.000 0.312 221 V C -0.349 175.745 176.094 -0.000 0.000 1.135 221 V CA -0.508 61.816 62.300 0.040 0.000 1.022 221 V CB 2.147 34.031 31.823 0.102 0.000 1.056 221 V HN 0.639 nan 8.190 nan 0.000 0.436 222 T N 1.991 116.537 114.554 -0.014 0.000 2.791 222 T HA 0.635 4.958 4.350 -0.045 0.000 0.288 222 T C -0.533 174.118 174.700 -0.083 0.000 0.999 222 T CA -0.296 61.772 62.100 -0.053 0.000 0.952 222 T CB 1.205 70.051 68.868 -0.038 0.000 0.938 222 T HN 0.754 nan 8.240 nan 0.000 0.444 223 V N 3.590 123.399 119.914 -0.175 0.000 2.347 223 V HA 0.295 4.388 4.120 -0.045 0.000 0.280 223 V C 0.164 176.093 176.094 -0.275 0.000 1.021 223 V CA -0.978 61.160 62.300 -0.270 0.000 0.847 223 V CB 1.430 32.935 31.823 -0.530 0.000 0.990 223 V HN 0.791 nan 8.190 nan 0.000 0.444 224 D N 8.129 128.428 120.400 -0.168 0.000 2.338 224 D HA 0.190 4.803 4.640 -0.045 0.000 0.255 224 D C -1.289 174.949 176.300 -0.104 0.000 1.237 224 D CA -1.927 52.007 54.000 -0.110 0.000 0.883 224 D CB 2.006 42.785 40.800 -0.036 0.000 1.087 224 D HN 0.272 nan 8.370 nan 0.000 0.485 225 P HA -0.039 nan 4.420 nan 0.000 0.233 225 P C 0.921 178.350 177.300 0.215 0.000 1.167 225 P CA 0.487 63.614 63.100 0.045 0.000 0.770 225 P CB 0.468 32.174 31.700 0.011 0.000 0.837 226 R N 0.576 121.141 120.500 0.108 0.000 2.119 226 R HA -0.040 4.273 4.340 -0.045 0.000 0.222 226 R C 1.306 177.669 176.300 0.105 0.000 1.088 226 R CA 1.668 57.824 56.100 0.092 0.000 0.984 226 R CB -0.245 30.083 30.300 0.046 0.000 0.884 226 R HN 0.303 nan 8.270 nan 0.000 0.447 227 D N -2.727 117.746 120.400 0.121 0.000 2.510 227 D HA 0.114 4.726 4.640 -0.045 0.000 0.234 227 D C 1.044 177.445 176.300 0.168 0.000 1.178 227 D CA 0.569 54.637 54.000 0.113 0.000 0.816 227 D CB 0.524 41.364 40.800 0.067 0.000 1.143 227 D HN 0.152 nan 8.370 nan 0.000 0.526 228 G N 0.946 109.915 108.800 0.282 0.000 2.179 228 G HA2 -0.298 3.635 3.960 -0.045 0.000 0.260 228 G HA3 -0.298 3.635 3.960 -0.045 0.000 0.260 228 G C 0.419 175.428 174.900 0.182 0.000 0.977 228 G CA 0.461 45.787 45.100 0.377 0.000 0.641 228 G HN 0.937 nan 8.290 nan 0.000 0.533 229 S N -0.618 115.141 115.700 0.099 0.000 2.552 229 S HA 0.502 4.945 4.470 -0.045 0.000 0.289 229 S C 0.156 174.776 174.600 0.035 0.000 1.304 229 S CA 0.114 58.350 58.200 0.060 0.000 1.063 229 S CB 2.240 65.462 63.200 0.037 0.000 0.848 229 S HN 1.162 nan 8.310 nan 0.000 0.499 230 V N 3.993 123.936 119.914 0.049 0.000 2.495 230 V HA 0.585 4.678 4.120 -0.045 0.000 0.298 230 V C -0.049 176.065 176.094 0.034 0.000 1.031 230 V CA -0.719 61.608 62.300 0.044 0.000 0.871 230 V CB 1.248 33.129 31.823 0.096 0.000 0.988 230 V HN 1.075 nan 8.190 nan 0.000 0.432 231 E N 1.878 122.090 120.200 0.020 0.000 2.369 231 E HA 0.567 4.890 4.350 -0.045 0.000 0.270 231 E C -1.639 174.972 176.600 0.018 0.000 0.909 231 E CA -1.103 55.307 56.400 0.017 0.000 0.775 231 E CB 1.859 31.564 29.700 0.009 0.000 1.270 231 E HN 0.445 nan 8.360 nan 0.000 0.445 232 D N 1.107 121.518 120.400 0.019 0.000 2.443 232 D HA 0.100 4.713 4.640 -0.045 0.000 0.239 232 D C -0.689 175.619 176.300 0.013 0.000 1.136 232 D CA -0.110 53.902 54.000 0.021 0.000 0.879 232 D CB 0.709 41.522 40.800 0.021 0.000 1.195 232 D HN 0.248 nan 8.370 nan 0.000 0.443 233 L N 3.239 124.468 121.223 0.010 0.000 2.257 233 L HA 0.186 4.498 4.340 -0.045 0.000 0.290 233 L C -0.242 176.631 176.870 0.004 0.000 1.044 233 L CA -0.288 54.549 54.840 -0.005 0.000 0.810 233 L CB 0.602 42.642 42.059 -0.030 0.000 1.193 233 L HN 0.153 nan 8.230 nan 0.000 0.425 234 E N 6.123 126.327 120.200 0.007 0.000 2.216 234 E HA 0.393 4.716 4.350 -0.045 0.000 0.279 234 E C -0.771 175.830 176.600 0.002 0.000 0.997 234 E CA -0.482 55.927 56.400 0.016 0.000 0.817 234 E CB 1.970 31.681 29.700 0.017 0.000 1.096 234 E HN 0.567 nan 8.360 nan 0.000 0.393 235 L N 2.956 124.181 121.223 0.005 0.000 2.358 235 L HA 0.292 4.605 4.340 -0.045 0.000 0.268 235 L C -1.379 175.498 176.870 0.011 0.000 1.032 235 L CA -2.066 52.768 54.840 -0.011 0.000 0.805 235 L CB 0.833 42.865 42.059 -0.046 0.000 1.253 235 L HN 0.220 nan 8.230 nan 0.000 0.452 236 P HA -0.130 nan 4.420 nan 0.000 0.215 236 P C 0.315 177.633 177.300 0.029 0.000 1.157 236 P CA 0.986 64.097 63.100 0.018 0.000 0.874 236 P CB 0.206 31.916 31.700 0.016 0.000 0.790 237 S N -0.835 114.890 115.700 0.041 0.000 2.578 237 S HA 0.256 4.699 4.470 -0.045 0.000 0.283 237 S C 0.722 175.368 174.600 0.077 0.000 1.195 237 S CA -0.632 57.605 58.200 0.062 0.000 1.050 237 S CB 0.393 63.641 63.200 0.080 0.000 1.012 237 S HN -0.179 nan 8.310 nan 0.000 0.511 238 K N 2.550 122.996 120.400 0.077 0.000 2.397 238 K HA 0.154 4.447 4.320 -0.045 0.000 0.202 238 K C 0.231 176.884 176.600 0.087 0.000 1.022 238 K CA 0.007 56.338 56.287 0.073 0.000 1.141 238 K CB 0.013 32.542 32.500 0.048 0.000 0.857 238 K HN 0.589 nan 8.250 nan 0.000 0.514 239 D N 0.592 121.077 120.400 0.143 0.000 2.144 239 D HA -0.172 4.441 4.640 -0.045 0.000 0.199 239 D C 1.507 177.895 176.300 0.146 0.000 0.984 239 D CA 0.858 54.989 54.000 0.218 0.000 0.834 239 D CB -0.132 40.876 40.800 0.346 0.000 0.955 239 D HN 0.193 nan 8.370 nan 0.000 0.465 240 F N 1.834 121.630 119.950 -0.257 0.000 2.084 240 F HA -0.206 4.294 4.527 -0.045 0.000 0.296 240 F C 2.476 178.073 175.800 -0.338 0.000 1.111 240 F CA 1.972 59.469 58.000 -0.838 0.000 1.224 240 F CB -0.370 38.119 39.000 -0.852 0.000 0.991 240 F HN -0.028 nan 8.300 nan 0.000 0.471 241 S N -0.339 115.212 115.700 -0.247 0.000 2.387 241 S HA -0.171 4.272 4.470 -0.045 0.000 0.226 241 S C 2.183 176.652 174.600 -0.217 0.000 1.026 241 S CA 1.055 59.084 58.200 -0.284 0.000 0.972 241 S CB -1.282 61.892 63.200 -0.042 0.000 0.814 241 S HN 0.551 nan 8.310 nan 0.000 0.477 242 S N 0.221 115.862 115.700 -0.098 0.000 2.453 242 S HA -0.089 4.354 4.470 -0.045 0.000 0.231 242 S C 1.687 176.279 174.600 -0.013 0.000 1.005 242 S CA 0.567 58.743 58.200 -0.039 0.000 0.949 242 S CB -1.011 62.199 63.200 0.017 0.000 0.774 242 S HN 0.635 nan 8.310 nan 0.000 0.510 243 Y N 2.501 122.707 120.300 -0.156 0.000 2.352 243 Y HA 0.126 4.649 4.550 -0.045 0.000 0.292 243 Y C 0.852 176.658 175.900 -0.156 0.000 1.136 243 Y CA 1.104 59.151 58.100 -0.088 0.000 1.227 243 Y CB -0.369 38.098 38.460 0.011 0.000 0.991 243 Y HN 0.214 nan 8.280 nan 0.000 0.545 244 R N 0.124 120.457 120.500 -0.277 0.000 3.152 244 R HA -0.150 4.163 4.340 -0.045 0.000 0.252 244 R C -2.757 173.328 176.300 -0.358 0.000 0.930 244 R CA 0.331 56.247 56.100 -0.307 0.000 0.642 244 R CB -1.701 28.461 30.300 -0.231 0.000 1.205 244 R HN 0.312 nan 8.270 nan 0.000 0.452 245 P HA 0.003 nan 4.420 nan 0.000 0.271 245 P C 0.685 177.911 177.300 -0.122 0.000 1.218 245 P CA 0.097 63.113 63.100 -0.140 0.000 0.780 245 P CB 1.054 32.789 31.700 0.059 0.000 0.901 246 T N -0.821 113.673 114.554 -0.101 0.000 3.051 246 T HA 0.371 4.694 4.350 -0.045 0.000 0.255 246 T C 0.782 175.454 174.700 -0.047 0.000 1.085 246 T CA 0.234 62.284 62.100 -0.083 0.000 1.109 246 T CB 0.057 68.854 68.868 -0.118 0.000 0.921 246 T HN 0.610 nan 8.240 nan 0.000 0.488 247 A N 0.587 123.401 122.820 -0.010 0.000 2.498 247 A HA 0.767 5.060 4.320 -0.045 0.000 0.298 247 A C -1.334 176.306 177.584 0.094 0.000 1.075 247 A CA -0.990 51.058 52.037 0.019 0.000 0.714 247 A CB 1.241 20.234 19.000 -0.012 0.000 1.299 247 A HN 0.376 nan 8.150 nan 0.000 0.407 248 I N 2.052 122.679 120.570 0.095 0.000 2.390 248 I HA 0.228 4.370 4.170 -0.045 0.000 0.283 248 I C 1.075 177.265 176.117 0.122 0.000 1.016 248 I CA -0.346 61.039 61.300 0.142 0.000 1.151 248 I CB 1.889 39.967 38.000 0.129 0.000 1.293 248 I HN 0.804 nan 8.210 nan 0.000 0.458 249 T N 4.210 118.865 114.554 0.167 0.000 2.674 249 T HA -0.140 4.183 4.350 -0.045 0.000 0.265 249 T C -0.138 174.715 174.700 0.255 0.000 1.039 249 T CA 1.492 63.699 62.100 0.179 0.000 1.150 249 T CB 0.014 69.001 68.868 0.198 0.000 0.864 249 T HN 0.647 nan 8.240 nan 0.000 0.427 250 W N 0.825 122.148 121.300 0.039 0.000 3.363 250 W HA 0.484 5.117 4.660 -0.045 0.000 0.306 250 W C -2.467 174.049 176.519 -0.005 0.000 1.253 250 W CA -1.380 55.974 57.345 0.016 0.000 1.195 250 W CB 0.981 30.454 29.460 0.022 0.000 1.366 250 W HN 0.159 nan 8.180 nan 0.000 0.551 251 L N 3.016 123.624 121.223 -1.026 0.000 2.479 251 L HA 1.141 5.454 4.340 -0.045 0.000 0.255 251 L C -0.480 175.287 176.870 -1.839 0.000 1.026 251 L CA -0.706 53.388 54.840 -1.244 0.000 0.842 251 L CB 1.854 43.535 42.059 -0.631 0.000 1.444 251 L HN 0.845 nan 8.230 nan 0.000 0.409 252 G N -0.536 107.462 108.800 -1.336 0.000 2.596 252 G HA2 0.464 4.397 3.960 -0.045 0.000 0.296 252 G HA3 0.464 4.397 3.960 -0.045 0.000 0.296 252 G C -2.214 172.430 174.900 -0.426 0.000 1.513 252 G CA -0.651 43.986 45.100 -0.772 0.000 0.851 252 G HN 0.570 nan 8.290 nan 0.000 0.548 253 Y N 0.556 120.786 120.300 -0.118 0.000 2.309 253 Y HA 0.546 5.069 4.550 -0.045 0.000 0.327 253 Y C 1.192 177.080 175.900 -0.019 0.000 1.172 253 Y CA -0.283 57.773 58.100 -0.072 0.000 1.280 253 Y CB 1.190 39.592 38.460 -0.096 0.000 1.234 253 Y HN 0.312 nan 8.280 nan 0.000 0.512 254 L N 4.999 126.275 121.223 0.088 0.000 2.416 254 L HA 0.287 4.600 4.340 -0.045 0.000 0.262 254 L C -1.392 175.382 176.870 -0.159 0.000 1.093 254 L CA -1.969 52.847 54.840 -0.040 0.000 0.801 254 L CB 0.818 42.880 42.059 0.005 0.000 1.191 254 L HN 0.443 nan 8.230 nan 0.000 0.459 255 P HA -0.207 nan 4.420 nan 0.000 0.217 255 P C 0.522 177.736 177.300 -0.143 0.000 1.151 255 P CA 1.310 64.220 63.100 -0.317 0.000 0.849 255 P CB -0.064 31.403 31.700 -0.388 0.000 0.787 256 D N -2.331 118.010 120.400 -0.097 0.000 2.352 256 D HA 0.090 4.703 4.640 -0.045 0.000 0.232 256 D C 1.419 177.706 176.300 -0.022 0.000 1.055 256 D CA 0.714 54.685 54.000 -0.049 0.000 0.891 256 D CB -1.000 39.781 40.800 -0.031 0.000 0.897 256 D HN 0.271 nan 8.370 nan 0.000 0.529 257 G N 0.002 108.798 108.800 -0.007 0.000 2.199 257 G HA2 -0.333 3.600 3.960 -0.045 0.000 0.254 257 G HA3 -0.333 3.600 3.960 -0.045 0.000 0.254 257 G C 0.368 175.348 174.900 0.134 0.000 0.982 257 G CA -0.082 45.042 45.100 0.040 0.000 0.632 257 G HN 0.462 nan 8.290 nan 0.000 0.529 258 R N -0.337 120.211 120.500 0.080 0.000 2.594 258 R HA 0.490 4.803 4.340 -0.045 0.000 0.272 258 R C -0.124 176.187 176.300 0.017 0.000 1.074 258 R CA -0.496 55.638 56.100 0.057 0.000 1.105 258 R CB 0.853 31.166 30.300 0.022 0.000 1.008 258 R HN 0.235 nan 8.270 nan 0.000 0.472 259 L N 2.302 123.464 121.223 -0.102 0.000 2.262 259 L HA 0.368 4.681 4.340 -0.045 0.000 0.288 259 L C -0.617 176.113 176.870 -0.232 0.000 1.035 259 L CA -0.085 54.522 54.840 -0.388 0.000 0.820 259 L CB 1.047 42.792 42.059 -0.523 0.000 1.204 259 L HN 0.717 nan 8.230 nan 0.000 0.424 260 A N 5.300 128.015 122.820 -0.175 0.000 2.328 260 A HA 0.715 5.007 4.320 -0.045 0.000 0.284 260 A C -0.838 176.715 177.584 -0.052 0.000 1.160 260 A CA -0.425 51.621 52.037 0.014 0.000 0.818 260 A CB 0.655 19.809 19.000 0.257 0.000 1.087 260 A HN 0.558 nan 8.150 nan 0.000 0.504 261 V N 3.368 123.310 119.914 0.047 0.000 2.577 261 V HA 0.404 4.497 4.120 -0.045 0.000 0.303 261 V C -0.542 175.731 176.094 0.298 0.000 1.042 261 V CA -0.550 61.775 62.300 0.041 0.000 0.872 261 V CB 1.791 33.469 31.823 -0.242 0.000 0.998 261 V HN 0.634 nan 8.190 nan 0.000 0.423 262 V N 4.018 124.143 119.914 0.351 0.000 2.357 262 V HA 0.890 4.983 4.120 -0.045 0.000 0.284 262 V C 0.310 176.614 176.094 0.350 0.000 1.018 262 V CA -0.145 62.369 62.300 0.357 0.000 0.841 262 V CB 1.338 33.372 31.823 0.351 0.000 0.991 262 V HN 1.060 nan 8.190 nan 0.000 0.437 263 A N 5.991 129.056 122.820 0.408 0.000 2.479 263 A HA 1.067 5.360 4.320 -0.045 0.000 0.296 263 A C -0.515 177.318 177.584 0.415 0.000 1.121 263 A CA -0.922 51.360 52.037 0.408 0.000 0.743 263 A CB 2.093 21.411 19.000 0.530 0.000 1.323 263 A HN 0.932 nan 8.150 nan 0.000 0.415 264 R N -0.210 120.514 120.500 0.374 0.000 2.739 264 R HA 0.828 5.141 4.340 -0.045 0.000 0.271 264 R C -1.420 174.977 176.300 0.161 0.000 1.010 264 R CA -1.006 55.286 56.100 0.320 0.000 0.897 264 R CB 1.653 32.050 30.300 0.161 0.000 1.236 264 R HN 0.835 nan 8.270 nan 0.000 0.466 265 R N 0.688 121.243 120.500 0.092 0.000 2.584 265 R HA 0.313 4.626 4.340 -0.045 0.000 0.276 265 R C -1.059 175.240 176.300 -0.001 0.000 1.046 265 R CA -1.100 54.959 56.100 -0.069 0.000 0.906 265 R CB 1.747 31.925 30.300 -0.203 0.000 1.215 265 R HN 0.884 nan 8.270 nan 0.000 0.449 266 E N 0.770 120.943 120.200 -0.046 0.000 2.389 266 E HA -0.272 4.050 4.350 -0.045 0.000 0.243 266 E C 0.464 177.216 176.600 0.253 0.000 1.154 266 E CA 0.820 57.333 56.400 0.189 0.000 0.723 266 E CB -1.344 28.520 29.700 0.274 0.000 1.261 266 E HN 1.197 nan 8.360 nan 0.000 0.390 267 G N -0.016 108.866 108.800 0.138 0.000 2.148 267 G HA2 -0.359 3.573 3.960 -0.045 0.000 0.254 267 G HA3 -0.359 3.573 3.960 -0.045 0.000 0.254 267 G C 0.140 175.099 174.900 0.100 0.000 0.981 267 G CA 0.665 45.865 45.100 0.166 0.000 0.670 267 G HN 0.301 nan 8.290 nan 0.000 0.528 268 R N -0.152 120.423 120.500 0.124 0.000 2.673 268 R HA 0.636 4.949 4.340 -0.045 0.000 0.281 268 R C 0.041 176.443 176.300 0.169 0.000 0.991 268 R CA 0.025 56.197 56.100 0.120 0.000 0.896 268 R CB 1.955 32.354 30.300 0.166 0.000 1.201 268 R HN 0.447 nan 8.270 nan 0.000 0.457 269 S N 0.762 116.542 115.700 0.134 0.000 2.704 269 S HA 0.903 5.346 4.470 -0.045 0.000 0.305 269 S C -0.666 174.076 174.600 0.237 0.000 1.107 269 S CA -0.718 57.611 58.200 0.216 0.000 0.993 269 S CB 2.209 65.518 63.200 0.180 0.000 1.110 269 S HN 0.688 nan 8.310 nan 0.000 0.534 270 A N 0.555 123.439 122.820 0.107 0.000 2.539 270 A HA 0.748 5.041 4.320 -0.045 0.000 0.296 270 A C -1.154 176.246 177.584 -0.307 0.000 1.073 270 A CA -0.779 51.111 52.037 -0.244 0.000 0.700 270 A CB 1.547 20.088 19.000 -0.766 0.000 1.296 270 A HN 0.957 nan 8.150 nan 0.000 0.405 271 V N 1.143 120.720 119.914 -0.561 0.000 2.483 271 V HA 0.689 4.782 4.120 -0.045 0.000 0.295 271 V C -1.132 174.563 176.094 -0.665 0.000 1.035 271 V CA -0.189 61.879 62.300 -0.387 0.000 0.896 271 V CB 0.895 32.523 31.823 -0.324 0.000 0.986 271 V HN 0.678 nan 8.190 nan 0.000 0.447 272 F N 4.332 124.270 119.950 -0.020 0.000 2.569 272 F HA 0.639 5.139 4.527 -0.045 0.000 0.312 272 F C -0.416 175.360 175.800 -0.041 0.000 1.109 272 F CA -0.813 57.176 58.000 -0.019 0.000 0.919 272 F CB 1.936 40.954 39.000 0.029 0.000 1.211 272 F HN 0.143 nan 8.300 nan 0.000 0.446 273 I N 2.977 123.623 120.570 0.127 0.000 2.382 273 I HA 0.245 4.388 4.170 -0.045 0.000 0.285 273 I C -0.325 175.816 176.117 0.041 0.000 1.007 273 I CA -0.730 60.602 61.300 0.052 0.000 1.142 273 I CB 1.025 39.044 38.000 0.030 0.000 1.289 273 I HN 0.626 nan 8.210 nan 0.000 0.453 274 D N 5.470 125.863 120.400 -0.011 0.000 2.751 274 D HA -0.192 4.421 4.640 -0.045 0.000 0.233 274 D C 1.343 177.647 176.300 0.006 0.000 1.149 274 D CA 1.685 55.672 54.000 -0.021 0.000 0.682 274 D CB -0.823 39.979 40.800 0.003 0.000 1.068 274 D HN 1.128 nan 8.370 nan 0.000 0.429 275 G N -0.201 108.610 108.800 0.017 0.000 2.225 275 G HA2 -0.363 3.570 3.960 -0.045 0.000 0.254 275 G HA3 -0.363 3.570 3.960 -0.045 0.000 0.254 275 G C 0.139 175.183 174.900 0.240 0.000 0.988 275 G CA 0.470 45.622 45.100 0.086 0.000 0.625 275 G HN 0.598 nan 8.290 nan 0.000 0.527 276 E N 0.629 120.953 120.200 0.207 0.000 2.229 276 E HA 0.534 4.857 4.350 -0.045 0.000 0.283 276 E C 0.679 177.403 176.600 0.206 0.000 1.030 276 E CA -0.975 55.540 56.400 0.191 0.000 0.836 276 E CB 0.466 30.221 29.700 0.091 0.000 1.068 276 E HN 0.243 nan 8.360 nan 0.000 0.401 277 R N 2.924 123.530 120.500 0.177 0.000 2.538 277 R HA 0.079 4.392 4.340 -0.045 0.000 0.282 277 R C -1.360 174.842 176.300 -0.164 0.000 1.009 277 R CA 0.154 56.170 56.100 -0.141 0.000 1.063 277 R CB 0.464 30.708 30.300 -0.093 0.000 0.945 277 R HN 0.264 nan 8.270 nan 0.000 0.414 278 V N 5.867 125.611 119.914 -0.283 0.000 2.409 278 V HA 0.202 4.294 4.120 -0.045 0.000 0.291 278 V C 0.026 175.976 176.094 -0.240 0.000 1.020 278 V CA -0.851 61.330 62.300 -0.198 0.000 0.848 278 V CB 1.273 32.997 31.823 -0.164 0.000 0.990 278 V HN 0.913 nan 8.190 nan 0.000 0.430 279 E N 4.912 125.011 120.200 -0.168 0.000 2.413 279 E HA 0.522 4.845 4.350 -0.045 0.000 0.263 279 E C -0.330 176.156 176.600 -0.190 0.000 1.015 279 E CA -0.046 56.261 56.400 -0.155 0.000 0.916 279 E CB 1.139 30.782 29.700 -0.095 0.000 0.947 279 E HN 0.825 nan 8.360 nan 0.000 0.440 280 A N 4.024 126.724 122.820 -0.200 0.000 2.594 280 A HA 0.518 4.811 4.320 -0.045 0.000 0.295 280 A C -2.748 174.747 177.584 -0.148 0.000 1.071 280 A CA -1.549 50.329 52.037 -0.266 0.000 0.685 280 A CB 1.229 19.875 19.000 -0.589 0.000 1.285 280 A HN 0.615 nan 8.150 nan 0.000 0.405 281 P HA 0.115 nan 4.420 nan 0.000 0.265 281 P C -0.368 176.897 177.300 -0.058 0.000 1.193 281 P CA 0.128 63.054 63.100 -0.290 0.000 0.765 281 P CB 0.374 31.549 31.700 -0.875 0.000 0.823 282 Q N 1.724 121.552 119.800 0.046 0.000 2.315 282 Q HA 0.334 4.647 4.340 -0.045 0.000 0.289 282 Q C 0.588 176.764 176.000 0.293 0.000 1.044 282 Q CA 1.016 56.913 55.803 0.156 0.000 0.920 282 Q CB -0.114 28.700 28.738 0.126 0.000 1.214 282 Q HN 0.761 nan 8.270 nan 0.000 0.392 283 G N 3.338 112.238 108.800 0.167 0.000 2.295 283 G HA2 -0.097 3.836 3.960 -0.045 0.000 0.155 283 G HA3 -0.097 3.836 3.960 -0.045 0.000 0.155 283 G C -1.351 173.440 174.900 -0.182 0.000 1.307 283 G CA -0.629 44.501 45.100 0.050 0.000 1.140 283 G HN 0.653 nan 8.290 nan 0.000 0.470 284 N N 0.211 118.709 118.700 -0.336 0.000 2.265 284 N HA 0.650 5.363 4.740 -0.045 0.000 0.300 284 N C -1.463 173.705 175.510 -0.570 0.000 1.148 284 N CA -0.380 52.417 53.050 -0.422 0.000 0.772 284 N CB 1.827 40.202 38.487 -0.186 0.000 1.434 284 N HN 0.599 nan 8.380 nan 0.000 0.481 285 H N -1.086 118.023 119.070 0.064 0.000 2.679 285 H HA 0.559 5.088 4.556 -0.044 0.000 0.367 285 H C 0.564 175.883 175.328 -0.014 0.000 1.162 285 H CA -0.822 55.245 56.048 0.033 0.000 1.181 285 H CB 1.824 31.601 29.762 0.025 0.000 1.693 285 H HN 0.610 nan 8.280 nan 0.000 0.538 286 G N 0.066 108.888 108.800 0.036 0.000 2.849 286 G HA2 0.237 4.170 3.960 -0.045 0.000 0.174 286 G HA3 0.237 4.170 3.960 -0.045 0.000 0.174 286 G C -0.419 174.280 174.900 -0.335 0.000 1.370 286 G CA -1.077 43.954 45.100 -0.116 0.000 1.040 286 G HN 0.751 nan 8.290 nan 0.000 0.582 287 R N -1.275 118.798 120.500 -0.712 0.000 2.784 287 R HA 0.360 4.673 4.340 -0.045 0.000 0.266 287 R C -1.128 174.663 176.300 -0.848 0.000 1.044 287 R CA -0.275 54.919 56.100 -1.510 0.000 1.151 287 R CB 0.534 29.892 30.300 -1.571 0.000 1.037 287 R HN 0.119 nan 8.270 nan 0.000 0.478 288 V N 3.084 122.459 119.914 -0.898 0.000 2.495 288 V HA 0.398 4.491 4.120 -0.045 0.000 0.298 288 V C 0.055 176.123 176.094 -0.043 0.000 1.031 288 V CA -0.748 61.406 62.300 -0.243 0.000 0.871 288 V CB 1.377 33.204 31.823 0.007 0.000 0.988 288 V HN 0.727 nan 8.190 nan 0.000 0.432 289 V N 3.380 123.314 119.914 0.033 0.000 2.864 289 V HA 0.664 4.757 4.120 -0.045 0.000 0.314 289 V C -0.672 175.577 176.094 0.258 0.000 1.073 289 V CA -0.937 61.490 62.300 0.211 0.000 0.956 289 V CB 2.157 34.033 31.823 0.089 0.000 1.023 289 V HN 0.704 nan 8.190 nan 0.000 0.435 290 L N 3.495 124.947 121.223 0.382 0.000 2.265 290 L HA 0.506 4.819 4.340 -0.045 0.000 0.288 290 L C -1.406 175.719 176.870 0.424 0.000 1.058 290 L CA -0.247 54.769 54.840 0.293 0.000 0.809 290 L CB 1.183 43.336 42.059 0.157 0.000 1.179 290 L HN 0.984 nan 8.230 nan 0.000 0.429 291 W N 6.207 127.579 121.300 0.121 0.000 2.647 291 W HA 0.412 5.045 4.660 -0.045 0.000 0.328 291 W C 0.151 176.712 176.519 0.070 0.000 1.018 291 W CA -1.013 56.394 57.345 0.104 0.000 1.245 291 W CB 0.717 30.226 29.460 0.080 0.000 1.356 291 W HN 0.575 nan 8.180 nan 0.000 0.443 292 R N 4.623 124.944 120.500 -0.299 0.000 3.416 292 R HA -0.183 4.130 4.340 -0.045 0.000 0.263 292 R C 1.241 177.433 176.300 -0.180 0.000 1.053 292 R CA 1.455 57.335 56.100 -0.366 0.000 0.705 292 R CB -1.432 28.433 30.300 -0.725 0.000 1.124 292 R HN 1.426 nan 8.270 nan 0.000 0.444 293 G N -0.726 108.035 108.800 -0.066 0.000 2.205 293 G HA2 -0.408 3.525 3.960 -0.045 0.000 0.261 293 G HA3 -0.408 3.525 3.960 -0.045 0.000 0.261 293 G C 0.075 174.972 174.900 -0.004 0.000 0.980 293 G CA 0.971 46.051 45.100 -0.033 0.000 0.632 293 G HN 0.566 nan 8.290 nan 0.000 0.533 294 K N -0.029 120.382 120.400 0.018 0.000 2.352 294 K HA 0.813 5.106 4.320 -0.045 0.000 0.240 294 K C -0.382 176.286 176.600 0.113 0.000 1.017 294 K CA -1.201 55.116 56.287 0.050 0.000 0.851 294 K CB 1.755 34.276 32.500 0.035 0.000 1.261 294 K HN 0.192 nan 8.250 nan 0.000 0.451 295 L N 1.287 122.560 121.223 0.083 0.000 2.312 295 L HA 0.452 4.765 4.340 -0.045 0.000 0.281 295 L C -0.664 176.251 176.870 0.076 0.000 1.070 295 L CA -1.064 53.822 54.840 0.076 0.000 0.805 295 L CB 1.616 43.689 42.059 0.024 0.000 1.174 295 L HN 0.322 nan 8.230 nan 0.000 0.434 296 V N 1.793 121.745 119.914 0.063 0.000 2.686 296 V HA 0.583 4.676 4.120 -0.045 0.000 0.306 296 V C -0.235 175.822 176.094 -0.061 0.000 1.065 296 V CA -0.399 61.906 62.300 0.009 0.000 0.894 296 V CB 2.197 34.032 31.823 0.021 0.000 1.004 296 V HN 0.855 nan 8.190 nan 0.000 0.424 297 T N 1.912 116.413 114.554 -0.088 0.000 2.804 297 T HA 0.640 4.963 4.350 -0.045 0.000 0.290 297 T C -0.323 174.338 174.700 -0.066 0.000 1.099 297 T CA 0.057 62.094 62.100 -0.105 0.000 1.011 297 T CB 2.007 70.815 68.868 -0.100 0.000 1.291 297 T HN 0.987 nan 8.240 nan 0.000 0.523 298 S N 1.092 116.767 115.700 -0.041 0.000 2.616 298 S HA 0.562 5.005 4.470 -0.045 0.000 0.277 298 S C -0.700 173.993 174.600 0.155 0.000 1.234 298 S CA -0.591 57.615 58.200 0.010 0.000 1.028 298 S CB 0.892 64.072 63.200 -0.033 0.000 0.988 298 S HN 0.861 nan 8.310 nan 0.000 0.522 299 H N 0.015 119.101 119.070 0.026 0.000 2.771 299 H HA 0.559 5.088 4.556 -0.045 0.000 0.361 299 H C -1.535 173.784 175.328 -0.015 0.000 1.108 299 H CA -0.339 55.740 56.048 0.052 0.000 1.201 299 H CB 2.176 32.002 29.762 0.106 0.000 1.681 299 H HN 0.804 nan 8.280 nan 0.000 0.534 300 T N 2.293 116.429 114.554 -0.697 0.000 2.868 300 T HA 0.517 4.840 4.350 -0.045 0.000 0.306 300 T C -1.289 173.063 174.700 -0.581 0.000 1.224 300 T CA -0.152 61.599 62.100 -0.582 0.000 1.012 300 T CB 1.417 70.163 68.868 -0.203 0.000 1.221 300 T HN 0.816 nan 8.240 nan 0.000 0.499 301 S N 2.429 117.959 115.700 -0.283 0.000 2.688 301 S HA 0.494 4.937 4.470 -0.045 0.000 0.275 301 S C 0.891 175.538 174.600 0.078 0.000 1.175 301 S CA -0.881 57.267 58.200 -0.087 0.000 0.818 301 S CB 0.544 63.736 63.200 -0.014 0.000 1.157 301 S HN 0.621 nan 8.310 nan 0.000 0.482 302 L N 1.450 122.705 121.223 0.053 0.000 2.187 302 L HA -0.046 4.267 4.340 -0.045 0.000 0.213 302 L C 2.241 179.252 176.870 0.234 0.000 1.100 302 L CA 1.727 56.609 54.840 0.070 0.000 0.765 302 L CB -0.381 41.693 42.059 0.025 0.000 0.904 302 L HN 0.914 nan 8.230 nan 0.000 0.437 303 S N -3.551 112.302 115.700 0.255 0.000 2.578 303 S HA 0.072 4.515 4.470 -0.045 0.000 0.231 303 S C 0.628 175.363 174.600 0.224 0.000 0.994 303 S CA -0.113 58.267 58.200 0.299 0.000 0.956 303 S CB 0.290 63.598 63.200 0.181 0.000 0.870 303 S HN 0.287 nan 8.310 nan 0.000 0.494 304 T N 2.104 116.761 114.554 0.172 0.000 3.050 304 T HA 0.538 4.861 4.350 -0.045 0.000 0.310 304 T C -3.448 171.103 174.700 -0.249 0.000 0.978 304 T CA -1.949 60.100 62.100 -0.085 0.000 1.013 304 T CB 1.343 70.189 68.868 -0.037 0.000 1.000 304 T HN -0.122 nan 8.240 nan 0.000 0.447 305 P HA 0.215 nan 4.420 nan 0.000 0.267 305 P C -2.599 174.473 177.300 -0.380 0.000 1.200 305 P CA -0.917 61.621 63.100 -0.936 0.000 0.772 305 P CB -0.384 30.610 31.700 -1.176 0.000 0.855 306 P HA 0.001 nan 4.420 nan 0.000 0.262 306 P C -0.230 177.044 177.300 -0.043 0.000 1.182 306 P CA 0.726 63.759 63.100 -0.111 0.000 0.761 306 P CB 0.236 31.903 31.700 -0.055 0.000 0.795 307 R N 2.528 123.021 120.500 -0.011 0.000 2.817 307 R HA 0.716 5.029 4.340 -0.045 0.000 0.268 307 R C -1.121 175.169 176.300 -0.017 0.000 1.027 307 R CA -1.033 55.084 56.100 0.027 0.000 0.928 307 R CB 1.190 31.491 30.300 0.001 0.000 1.228 307 R HN 0.097 nan 8.270 nan 0.000 0.469 308 I N 2.484 122.977 120.570 -0.128 0.000 2.354 308 I HA 0.411 4.554 4.170 -0.045 0.000 0.292 308 I C 0.172 176.186 176.117 -0.173 0.000 0.989 308 I CA -0.823 60.364 61.300 -0.188 0.000 1.188 308 I CB 1.328 39.107 38.000 -0.368 0.000 1.342 308 I HN 0.635 nan 8.210 nan 0.000 0.457 309 V N 2.562 122.412 119.914 -0.106 0.000 3.040 309 V HA 0.678 4.771 4.120 -0.045 0.000 0.312 309 V C -0.115 175.939 176.094 -0.066 0.000 1.115 309 V CA -0.733 61.519 62.300 -0.080 0.000 0.998 309 V CB 1.883 33.678 31.823 -0.046 0.000 1.042 309 V HN 0.748 nan 8.190 nan 0.000 0.433 310 S N 2.484 118.163 115.700 -0.035 0.000 2.565 310 S HA 0.726 5.169 4.470 -0.045 0.000 0.274 310 S C -0.524 174.056 174.600 -0.033 0.000 1.309 310 S CA -0.537 57.666 58.200 0.004 0.000 1.043 310 S CB 0.083 63.311 63.200 0.047 0.000 0.939 310 S HN 0.701 nan 8.310 nan 0.000 0.504 311 L N 5.659 126.862 121.223 -0.034 0.000 2.334 311 L HA 0.504 4.817 4.340 -0.045 0.000 0.273 311 L C -1.454 175.392 176.870 -0.040 0.000 1.013 311 L CA -2.000 52.799 54.840 -0.068 0.000 0.816 311 L CB 1.967 43.963 42.059 -0.105 0.000 1.278 311 L HN 0.554 nan 8.230 nan 0.000 0.431 312 P HA -0.014 nan 4.420 nan 0.000 0.255 312 P C 1.160 178.419 177.300 -0.069 0.000 1.248 312 P CA 0.320 63.375 63.100 -0.075 0.000 0.807 312 P CB 0.408 32.069 31.700 -0.065 0.000 1.150 313 S N -0.073 115.598 115.700 -0.048 0.000 2.399 313 S HA 0.035 4.478 4.470 -0.045 0.000 0.231 313 S C 1.883 176.450 174.600 -0.055 0.000 1.022 313 S CA 1.269 59.445 58.200 -0.041 0.000 0.983 313 S CB -1.657 61.529 63.200 -0.022 0.000 0.803 313 S HN 0.301 nan 8.310 nan 0.000 0.480 314 G N 0.693 109.451 108.800 -0.070 0.000 2.159 314 G HA2 -0.202 3.731 3.960 -0.045 0.000 0.256 314 G HA3 -0.202 3.731 3.960 -0.045 0.000 0.256 314 G C -0.254 174.611 174.900 -0.058 0.000 0.977 314 G CA 0.153 45.199 45.100 -0.089 0.000 0.652 314 G HN 0.539 nan 8.290 nan 0.000 0.531 315 E N 1.548 121.727 120.200 -0.036 0.000 2.376 315 E HA 0.275 4.598 4.350 -0.045 0.000 0.266 315 E C -2.028 174.552 176.600 -0.033 0.000 1.009 315 E CA -1.489 54.897 56.400 -0.022 0.000 0.902 315 E CB 0.968 30.667 29.700 -0.002 0.000 0.972 315 E HN 0.327 nan 8.360 nan 0.000 0.439 316 P HA 0.115 nan 4.420 nan 0.000 0.281 316 P C 0.468 177.698 177.300 -0.116 0.000 1.252 316 P CA -0.048 63.004 63.100 -0.080 0.000 0.778 316 P CB 0.910 32.570 31.700 -0.068 0.000 0.895 317 L N 2.340 123.426 121.223 -0.229 0.000 2.221 317 L HA 0.253 4.566 4.340 -0.045 0.000 0.202 317 L C 0.984 177.491 176.870 -0.606 0.000 1.074 317 L CA 0.798 55.402 54.840 -0.394 0.000 0.795 317 L CB -0.219 41.462 42.059 -0.630 0.000 0.960 317 L HN 0.281 nan 8.230 nan 0.000 0.458 318 L N 0.728 121.571 121.223 -0.633 0.000 2.404 318 L HA 0.424 4.737 4.340 -0.045 0.000 0.272 318 L C -0.874 175.719 176.870 -0.462 0.000 0.980 318 L CA -0.104 54.291 54.840 -0.742 0.000 0.836 318 L CB 2.487 43.780 42.059 -1.277 0.000 1.238 318 L HN 0.061 nan 8.230 nan 0.000 0.408 319 E N 2.446 122.509 120.200 -0.229 0.000 2.274 319 E HA 0.443 4.766 4.350 -0.045 0.000 0.269 319 E C -0.552 176.073 176.600 0.042 0.000 0.891 319 E CA -0.675 55.703 56.400 -0.037 0.000 0.784 319 E CB 2.025 31.687 29.700 -0.063 0.000 1.225 319 E HN 0.642 nan 8.360 nan 0.000 0.412 320 G N 2.843 111.693 108.800 0.084 0.000 2.394 320 G HA2 0.412 4.345 3.960 -0.045 0.000 0.298 320 G HA3 0.412 4.345 3.960 -0.045 0.000 0.298 320 G C 0.360 175.209 174.900 -0.085 0.000 1.087 320 G CA -0.082 45.012 45.100 -0.010 0.000 1.035 320 G HN 0.481 nan 8.290 nan 0.000 0.420 321 G N 2.262 111.025 108.800 -0.062 0.000 2.299 321 G HA2 0.289 4.222 3.960 -0.045 0.000 0.256 321 G HA3 0.289 4.222 3.960 -0.045 0.000 0.256 321 G C 0.277 175.123 174.900 -0.091 0.000 1.259 321 G CA -0.586 44.474 45.100 -0.067 0.000 0.943 321 G HN 0.627 nan 8.290 nan 0.000 0.479 322 L N 5.024 126.180 121.223 -0.113 0.000 2.369 322 L HA 0.201 4.514 4.340 -0.045 0.000 0.279 322 L C -1.562 175.290 176.870 -0.031 0.000 1.108 322 L CA -1.374 53.404 54.840 -0.104 0.000 0.852 322 L CB 1.094 43.078 42.059 -0.124 0.000 1.169 322 L HN 0.346 nan 8.230 nan 0.000 0.452 323 P HA 0.077 nan 4.420 nan 0.000 0.266 323 P C 0.730 178.045 177.300 0.026 0.000 1.195 323 P CA 0.265 63.370 63.100 0.008 0.000 0.768 323 P CB 0.641 32.349 31.700 0.014 0.000 0.838 324 E N 2.749 122.965 120.200 0.026 0.000 2.085 324 E HA -0.267 4.056 4.350 -0.045 0.000 0.194 324 E C 1.411 178.038 176.600 0.045 0.000 0.994 324 E CA 1.961 58.381 56.400 0.035 0.000 0.801 324 E CB -1.330 28.388 29.700 0.029 0.000 0.743 324 E HN 0.760 nan 8.360 nan 0.000 0.453 325 D N 0.562 120.988 120.400 0.043 0.000 2.123 325 D HA -0.151 4.462 4.640 -0.045 0.000 0.196 325 D C 2.095 178.433 176.300 0.064 0.000 0.992 325 D CA 1.399 55.429 54.000 0.049 0.000 0.833 325 D CB -0.532 40.294 40.800 0.044 0.000 0.954 325 D HN 0.499 nan 8.370 nan 0.000 0.455 326 L N -0.065 121.201 121.223 0.071 0.000 2.056 326 L HA -0.108 4.205 4.340 -0.045 0.000 0.207 326 L C 3.101 180.042 176.870 0.118 0.000 1.078 326 L CA 0.993 55.891 54.840 0.097 0.000 0.749 326 L CB -0.463 41.661 42.059 0.108 0.000 0.901 326 L HN 0.026 nan 8.230 nan 0.000 0.433 327 R N 0.629 121.193 120.500 0.107 0.000 2.081 327 R HA -0.170 4.142 4.340 -0.045 0.000 0.235 327 R C 2.693 179.055 176.300 0.103 0.000 1.131 327 R CA 1.782 57.952 56.100 0.117 0.000 0.960 327 R CB -1.068 29.285 30.300 0.087 0.000 0.856 327 R HN 0.539 nan 8.270 nan 0.000 0.436 328 R N 0.645 121.195 120.500 0.082 0.000 2.189 328 R HA -0.034 4.279 4.340 -0.045 0.000 0.223 328 R C 2.506 178.853 176.300 0.079 0.000 1.092 328 R CA 2.009 58.154 56.100 0.074 0.000 0.989 328 R CB -1.568 28.768 30.300 0.060 0.000 0.876 328 R HN 0.847 nan 8.270 nan 0.000 0.457 329 S N -0.079 115.672 115.700 0.085 0.000 2.442 329 S HA 0.059 4.502 4.470 -0.045 0.000 0.236 329 S C 0.949 175.607 174.600 0.097 0.000 1.007 329 S CA 0.574 58.825 58.200 0.085 0.000 0.965 329 S CB -0.388 62.863 63.200 0.086 0.000 0.773 329 S HN 0.536 nan 8.310 nan 0.000 0.504 330 I N 2.032 122.665 120.570 0.105 0.000 2.281 330 I HA 0.311 4.453 4.170 -0.045 0.000 0.293 330 I C 1.302 177.482 176.117 0.106 0.000 1.085 330 I CA -0.337 61.030 61.300 0.112 0.000 1.257 330 I CB 1.048 39.116 38.000 0.113 0.000 1.430 330 I HN 0.260 nan 8.210 nan 0.000 0.489 331 A N 5.100 127.985 122.820 0.109 0.000 2.066 331 A HA 0.398 4.691 4.320 -0.045 0.000 0.218 331 A C 1.094 178.729 177.584 0.086 0.000 1.157 331 A CA 0.982 53.074 52.037 0.092 0.000 0.670 331 A CB -0.087 18.970 19.000 0.094 0.000 0.804 331 A HN 0.787 nan 8.150 nan 0.000 0.453 332 G N -2.121 106.736 108.800 0.096 0.000 2.466 332 G HA2 0.511 4.444 3.960 -0.045 0.000 0.291 332 G HA3 0.511 4.444 3.960 -0.045 0.000 0.291 332 G C -0.920 174.043 174.900 0.104 0.000 1.460 332 G CA 0.202 45.356 45.100 0.090 0.000 0.791 332 G HN 1.019 nan 8.290 nan 0.000 0.505 333 S N -0.726 115.038 115.700 0.106 0.000 2.564 333 S HA 0.916 5.359 4.470 -0.045 0.000 0.274 333 S C -0.782 173.878 174.600 0.101 0.000 1.124 333 S CA -0.987 57.288 58.200 0.126 0.000 0.869 333 S CB 2.744 66.041 63.200 0.163 0.000 1.105 333 S HN 0.858 nan 8.310 nan 0.000 0.472 334 R N -0.171 120.372 120.500 0.072 0.000 2.707 334 R HA 0.546 4.859 4.340 -0.045 0.000 0.272 334 R C -2.100 174.073 176.300 -0.211 0.000 1.011 334 R CA -0.872 55.217 56.100 -0.018 0.000 0.893 334 R CB 1.849 32.162 30.300 0.020 0.000 1.233 334 R HN 0.608 nan 8.270 nan 0.000 0.464 335 L N 3.610 124.630 121.223 -0.339 0.000 2.280 335 L HA 0.522 4.835 4.340 -0.045 0.000 0.287 335 L C -0.764 175.813 176.870 -0.489 0.000 1.023 335 L CA -0.435 54.002 54.840 -0.672 0.000 0.819 335 L CB 1.541 43.185 42.059 -0.691 0.000 1.212 335 L HN 0.477 nan 8.230 nan 0.000 0.420 336 V N 1.606 121.133 119.914 -0.646 0.000 3.019 336 V HA 0.684 4.777 4.120 -0.045 0.000 0.317 336 V C -1.335 174.282 176.094 -0.794 0.000 1.094 336 V CA -0.774 61.186 62.300 -0.568 0.000 1.000 336 V CB 1.859 33.251 31.823 -0.719 0.000 1.060 336 V HN 0.797 nan 8.190 nan 0.000 0.443 337 W N 1.421 122.486 121.300 -0.392 0.000 2.406 337 W HA 0.667 5.301 4.660 -0.044 0.000 0.308 337 W C -0.335 175.996 176.519 -0.314 0.000 0.965 337 W CA -0.675 56.472 57.345 -0.330 0.000 1.589 337 W CB 1.339 30.653 29.460 -0.243 0.000 1.417 337 W HN 0.498 nan 8.180 nan 0.000 0.415 338 V N 3.530 123.291 119.914 -0.255 0.000 2.599 338 V HA -0.053 4.040 4.120 -0.045 0.000 0.300 338 V C 0.831 176.935 176.094 0.016 0.000 1.034 338 V CA -0.017 62.188 62.300 -0.159 0.000 1.115 338 V CB 0.479 32.219 31.823 -0.139 0.000 0.934 338 V HN 0.265 nan 8.190 nan 0.000 0.485 339 E N 3.054 123.299 120.200 0.075 0.000 2.217 339 E HA 0.201 4.524 4.350 -0.045 0.000 0.279 339 E C 0.102 176.775 176.600 0.122 0.000 1.068 339 E CA 0.156 56.607 56.400 0.086 0.000 0.882 339 E CB 1.387 31.140 29.700 0.088 0.000 1.039 339 E HN 0.681 nan 8.360 nan 0.000 0.418 340 S N 1.902 117.679 115.700 0.128 0.000 2.713 340 S HA 0.203 4.646 4.470 -0.045 0.000 0.277 340 S C 1.260 175.955 174.600 0.157 0.000 1.168 340 S CA -0.643 57.680 58.200 0.205 0.000 0.994 340 S CB 0.291 63.669 63.200 0.296 0.000 1.054 340 S HN 0.523 nan 8.310 nan 0.000 0.555 341 F N 1.192 121.200 119.950 0.097 0.000 2.192 341 F HA -0.061 4.439 4.527 -0.046 0.000 0.301 341 F C 1.418 177.260 175.800 0.070 0.000 1.079 341 F CA 1.578 59.621 58.000 0.072 0.000 1.303 341 F CB -0.335 38.700 39.000 0.059 0.000 1.024 341 F HN 0.519 nan 8.300 nan 0.000 0.494 342 D N -1.001 118.856 120.400 -0.906 0.000 2.402 342 D HA 0.237 4.850 4.640 -0.045 0.000 0.216 342 D C 1.710 177.835 176.300 -0.292 0.000 1.128 342 D CA 0.306 53.877 54.000 -0.715 0.000 0.833 342 D CB 0.108 40.248 40.800 -1.100 0.000 0.971 342 D HN 0.498 nan 8.370 nan 0.000 0.503 343 G N 0.030 108.731 108.800 -0.165 0.000 2.176 343 G HA2 -0.280 3.653 3.960 -0.045 0.000 0.253 343 G HA3 -0.280 3.653 3.960 -0.045 0.000 0.253 343 G C 0.389 175.261 174.900 -0.046 0.000 0.979 343 G CA 0.209 45.265 45.100 -0.074 0.000 0.641 343 G HN 0.412 nan 8.290 nan 0.000 0.530 344 S N 0.570 116.254 115.700 -0.028 0.000 2.572 344 S HA 0.493 4.936 4.470 -0.045 0.000 0.279 344 S C 0.672 175.273 174.600 0.002 0.000 1.341 344 S CA -0.087 58.134 58.200 0.034 0.000 1.043 344 S CB 0.833 64.207 63.200 0.291 0.000 0.887 344 S HN 0.471 nan 8.310 nan 0.000 0.516 345 R N 1.554 121.994 120.500 -0.101 0.000 2.229 345 R HA 0.383 4.696 4.340 -0.045 0.000 0.332 345 R C -1.268 174.946 176.300 -0.143 0.000 0.989 345 R CA -0.469 55.614 56.100 -0.030 0.000 0.842 345 R CB 1.092 31.413 30.300 0.034 0.000 1.119 345 R HN 0.334 nan 8.270 nan 0.000 0.456 346 V N 6.093 125.952 119.914 -0.091 0.000 2.334 346 V HA 0.196 4.289 4.120 -0.045 0.000 0.267 346 V C -1.917 173.917 176.094 -0.433 0.000 1.040 346 V CA -2.096 60.107 62.300 -0.161 0.000 0.866 346 V CB 0.962 32.836 31.823 0.084 0.000 1.019 346 V HN 0.618 nan 8.190 nan 0.000 0.468 347 P HA 0.165 nan 4.420 nan 0.000 0.266 347 P C -0.229 176.616 177.300 -0.759 0.000 1.215 347 P CA 0.307 62.582 63.100 -1.375 0.000 0.763 347 P CB 0.475 31.056 31.700 -1.865 0.000 0.806 348 T N 4.047 118.159 114.554 -0.737 0.000 2.881 348 T HA 0.316 4.639 4.350 -0.045 0.000 0.291 348 T C -0.681 173.776 174.700 -0.404 0.000 0.990 348 T CA -0.178 61.673 62.100 -0.414 0.000 0.976 348 T CB 0.303 68.910 68.868 -0.435 0.000 0.970 348 T HN 0.106 nan 8.240 nan 0.000 0.438 349 Y N 1.892 122.084 120.300 -0.180 0.000 2.299 349 Y HA 0.536 5.058 4.550 -0.047 0.000 0.326 349 Y C 0.262 176.139 175.900 -0.040 0.000 1.164 349 Y CA -0.340 57.698 58.100 -0.105 0.000 1.234 349 Y CB 1.039 39.471 38.460 -0.048 0.000 1.219 349 Y HN 0.295 nan 8.280 nan 0.000 0.497 350 V N 5.449 125.431 119.914 0.113 0.000 2.588 350 V HA 0.373 4.466 4.120 -0.045 0.000 0.304 350 V C -0.642 175.555 176.094 0.172 0.000 1.042 350 V CA -1.054 61.341 62.300 0.158 0.000 0.877 350 V CB 1.852 33.783 31.823 0.180 0.000 0.996 350 V HN 0.540 nan 8.190 nan 0.000 0.425 351 L N 3.864 125.196 121.223 0.182 0.000 2.305 351 L HA 0.570 4.883 4.340 -0.045 0.000 0.284 351 L C -0.231 176.760 176.870 0.201 0.000 1.013 351 L CA -0.629 54.312 54.840 0.168 0.000 0.819 351 L CB 1.985 44.130 42.059 0.145 0.000 1.227 351 L HN 0.632 nan 8.230 nan 0.000 0.417 352 E N 1.613 121.909 120.200 0.160 0.000 2.259 352 E HA 0.176 4.499 4.350 -0.045 0.000 0.281 352 E C -0.300 176.478 176.600 0.296 0.000 1.027 352 E CA -0.055 56.462 56.400 0.195 0.000 0.838 352 E CB 1.543 31.253 29.700 0.017 0.000 1.066 352 E HN 0.382 nan 8.360 nan 0.000 0.401 353 S N 2.002 117.992 115.700 0.483 0.000 2.523 353 S HA 0.264 4.707 4.470 -0.045 0.000 0.275 353 S C 1.291 176.000 174.600 0.181 0.000 1.281 353 S CA -0.277 58.057 58.200 0.224 0.000 1.050 353 S CB 0.685 63.924 63.200 0.065 0.000 0.937 353 S HN 0.699 nan 8.310 nan 0.000 0.492 354 G N 3.926 112.797 108.800 0.118 0.000 2.625 354 G HA2 -0.038 3.895 3.960 -0.045 0.000 0.214 354 G HA3 -0.038 3.895 3.960 -0.045 0.000 0.214 354 G C 1.011 175.944 174.900 0.055 0.000 1.132 354 G CA 0.032 45.185 45.100 0.088 0.000 0.782 354 G HN 0.756 nan 8.290 nan 0.000 0.538 355 R N -0.355 120.163 120.500 0.029 0.000 2.546 355 R HA 0.524 4.837 4.340 -0.045 0.000 0.320 355 R C 0.123 176.372 176.300 -0.085 0.000 1.021 355 R CA 0.033 56.123 56.100 -0.018 0.000 1.088 355 R CB 0.913 31.205 30.300 -0.014 0.000 1.278 355 R HN 0.229 nan 8.270 nan 0.000 0.557 356 A N 1.571 124.340 122.820 -0.085 0.000 2.454 356 A HA 0.671 4.964 4.320 -0.045 0.000 0.302 356 A C -2.570 175.005 177.584 -0.015 0.000 1.079 356 A CA -1.671 50.267 52.037 -0.166 0.000 0.731 356 A CB 1.289 20.011 19.000 -0.463 0.000 1.299 356 A HN -0.101 nan 8.150 nan 0.000 0.413 357 P HA 0.447 nan 4.420 nan 0.000 0.275 357 P C -0.592 176.820 177.300 0.188 0.000 1.266 357 P CA 0.030 63.166 63.100 0.060 0.000 0.793 357 P CB 0.637 32.344 31.700 0.013 0.000 1.074 358 T N 1.382 116.014 114.554 0.129 0.000 2.890 358 T HA 0.405 4.728 4.350 -0.045 0.000 0.295 358 T C -2.221 172.500 174.700 0.034 0.000 0.993 358 T CA -0.861 61.301 62.100 0.103 0.000 0.979 358 T CB 0.760 69.639 68.868 0.019 0.000 0.967 358 T HN 0.404 nan 8.240 nan 0.000 0.441 359 P HA 0.650 nan 4.420 nan 0.000 0.274 359 P C -0.119 177.238 177.300 0.096 0.000 1.237 359 P CA -0.258 62.869 63.100 0.045 0.000 0.793 359 P CB 0.991 32.690 31.700 -0.000 0.000 0.977 360 G N 0.117 109.016 108.800 0.164 0.000 2.649 360 G HA2 0.516 4.449 3.960 -0.045 0.000 0.290 360 G HA3 0.516 4.449 3.960 -0.045 0.000 0.290 360 G C -3.336 171.608 174.900 0.073 0.000 1.426 360 G CA -1.300 43.850 45.100 0.084 0.000 0.794 360 G HN 0.223 nan 8.290 nan 0.000 0.483 361 P HA 0.278 nan 4.420 nan 0.000 0.263 361 P C -0.419 177.035 177.300 0.257 0.000 1.195 361 P CA 0.526 63.705 63.100 0.132 0.000 0.762 361 P CB 0.838 32.505 31.700 -0.055 0.000 0.799 362 T N 2.811 117.608 114.554 0.405 0.000 2.848 362 T HA 0.397 4.720 4.350 -0.045 0.000 0.285 362 T C -0.506 174.462 174.700 0.446 0.000 0.995 362 T CA -0.459 61.885 62.100 0.408 0.000 0.970 362 T CB 1.134 70.195 68.868 0.323 0.000 0.976 362 T HN -0.071 nan 8.240 nan 0.000 0.441 363 V N 3.490 123.620 119.914 0.361 0.000 2.357 363 V HA 0.311 4.404 4.120 -0.045 0.000 0.284 363 V C 0.182 176.395 176.094 0.200 0.000 1.018 363 V CA -0.874 61.570 62.300 0.239 0.000 0.841 363 V CB 1.591 33.449 31.823 0.059 0.000 0.991 363 V HN 0.755 nan 8.190 nan 0.000 0.437 364 V N 6.602 126.627 119.914 0.185 0.000 2.403 364 V HA 0.117 4.210 4.120 -0.045 0.000 0.265 364 V C 0.076 176.194 176.094 0.041 0.000 1.034 364 V CA 0.001 62.394 62.300 0.155 0.000 1.036 364 V CB 0.782 32.738 31.823 0.221 0.000 1.032 364 V HN 0.638 nan 8.190 nan 0.000 0.478 365 L N 8.072 129.339 121.223 0.074 0.000 2.259 365 L HA 0.458 4.771 4.340 -0.045 0.000 0.288 365 L C -0.083 176.824 176.870 0.062 0.000 1.051 365 L CA 0.396 55.260 54.840 0.040 0.000 0.824 365 L CB 1.157 43.250 42.059 0.057 0.000 1.206 365 L HN 0.399 nan 8.230 nan 0.000 0.429 366 V N 5.058 124.989 119.914 0.028 0.000 2.465 366 V HA 0.261 4.354 4.120 -0.045 0.000 0.279 366 V C 0.036 176.214 176.094 0.140 0.000 1.045 366 V CA -0.689 61.659 62.300 0.080 0.000 0.938 366 V CB 0.734 32.556 31.823 -0.000 0.000 0.986 366 V HN 0.930 nan 8.190 nan 0.000 0.467 367 H N 2.613 121.849 119.070 0.277 0.000 2.615 367 H HA 0.652 5.180 4.556 -0.045 0.000 0.363 367 H C 0.485 175.997 175.328 0.306 0.000 1.148 367 H CA 0.006 56.172 56.048 0.197 0.000 1.401 367 H CB 0.652 30.477 29.762 0.106 0.000 1.461 367 H HN 0.687 nan 8.280 nan 0.000 0.588 368 G N -0.291 108.780 108.800 0.451 0.000 2.508 368 G HA2 0.492 4.424 3.960 -0.045 0.000 0.278 368 G HA3 0.492 4.424 3.960 -0.045 0.000 0.278 368 G C 0.467 175.658 174.900 0.486 0.000 1.389 368 G CA -0.314 45.049 45.100 0.439 0.000 1.050 368 G HN 1.305 nan 8.290 nan 0.000 0.522 369 G N -0.872 108.124 108.800 0.326 0.000 1.920 369 G HA2 -0.115 3.818 3.960 -0.045 0.000 0.210 369 G HA3 -0.115 3.818 3.960 -0.045 0.000 0.210 369 G C -1.375 173.533 174.900 0.013 0.000 1.302 369 G CA 0.524 45.717 45.100 0.155 0.000 1.333 369 G HN 0.739 nan 8.290 nan 0.000 0.452 370 P HA 0.207 nan 4.420 nan 0.000 0.241 370 P C 0.432 177.781 177.300 0.082 0.000 1.191 370 P CA 0.356 63.331 63.100 -0.208 0.000 0.771 370 P CB -0.226 31.115 31.700 -0.599 0.000 0.929 371 F N 1.132 121.138 119.950 0.093 0.000 2.659 371 F HA 0.424 4.924 4.527 -0.045 0.000 0.360 371 F C 1.194 176.988 175.800 -0.010 0.000 1.218 371 F CA -0.810 57.231 58.000 0.070 0.000 1.317 371 F CB -0.084 38.992 39.000 0.126 0.000 1.697 371 F HN 0.016 nan 8.300 nan 0.000 0.637 372 A N 2.121 124.979 122.820 0.063 0.000 2.533 372 A HA 0.811 5.104 4.320 -0.045 0.000 0.293 372 A C -1.070 176.217 177.584 -0.495 0.000 1.228 372 A CA -0.765 51.170 52.037 -0.169 0.000 0.689 372 A CB 2.030 20.926 19.000 -0.174 0.000 1.303 372 A HN 0.469 nan 8.150 nan 0.000 0.444 373 E N 0.322 120.230 120.200 -0.488 0.000 2.390 373 E HA 0.431 4.754 4.350 -0.045 0.000 0.277 373 E C -1.889 174.552 176.600 -0.265 0.000 0.939 373 E CA -0.843 55.304 56.400 -0.421 0.000 0.769 373 E CB 1.637 31.314 29.700 -0.039 0.000 1.251 373 E HN 0.410 nan 8.360 nan 0.000 0.450 374 D N 1.964 122.322 120.400 -0.071 0.000 2.325 374 D HA 0.221 4.834 4.640 -0.045 0.000 0.251 374 D C -0.335 175.903 176.300 -0.104 0.000 1.196 374 D CA 0.301 54.288 54.000 -0.022 0.000 0.866 374 D CB 1.488 42.367 40.800 0.132 0.000 1.101 374 D HN 0.518 nan 8.370 nan 0.000 0.476 375 S N 0.974 116.468 115.700 -0.343 0.000 2.811 375 S HA 0.246 4.689 4.470 -0.045 0.000 0.311 375 S C -0.303 173.768 174.600 -0.881 0.000 1.152 375 S CA -0.954 56.939 58.200 -0.512 0.000 0.864 375 S CB 1.856 64.934 63.200 -0.203 0.000 1.226 375 S HN 0.160 nan 8.310 nan 0.000 0.541 376 D N 1.222 121.233 120.400 -0.649 0.000 2.600 376 D HA 0.453 5.066 4.640 -0.045 0.000 0.226 376 D C -0.811 175.363 176.300 -0.210 0.000 1.119 376 D CA 0.343 54.123 54.000 -0.367 0.000 1.051 376 D CB -0.916 39.842 40.800 -0.071 0.000 1.106 376 D HN 0.450 nan 8.370 nan 0.000 0.491 377 S N 1.708 117.280 115.700 -0.214 0.000 2.564 377 S HA 0.232 4.675 4.470 -0.045 0.000 0.274 377 S C -0.836 173.742 174.600 -0.038 0.000 1.124 377 S CA -0.972 57.160 58.200 -0.113 0.000 0.869 377 S CB 1.369 64.500 63.200 -0.116 0.000 1.105 377 S HN 0.386 nan 8.310 nan 0.000 0.472 378 W N 3.530 124.744 121.300 -0.143 0.000 2.295 378 W HA 0.130 4.764 4.660 -0.043 0.000 0.335 378 W C -0.975 175.503 176.519 -0.068 0.000 1.351 378 W CA 0.945 58.228 57.345 -0.102 0.000 1.273 378 W CB 0.349 29.744 29.460 -0.109 0.000 1.214 378 W HN 0.601 nan 8.180 nan 0.000 0.563 379 D N 4.719 124.602 120.400 -0.862 0.000 2.476 379 D HA 0.121 4.734 4.640 -0.045 0.000 0.251 379 D C 0.796 176.544 176.300 -0.921 0.000 1.291 379 D CA -0.296 53.347 54.000 -0.595 0.000 0.939 379 D CB 1.461 42.088 40.800 -0.289 0.000 1.221 379 D HN 0.291 nan 8.370 nan 0.000 0.567 380 T N 2.557 116.698 114.554 -0.688 0.000 2.788 380 T HA -0.111 4.212 4.350 -0.045 0.000 0.268 380 T C 1.654 176.092 174.700 -0.436 0.000 1.044 380 T CA 1.164 62.950 62.100 -0.522 0.000 1.139 380 T CB -0.191 68.476 68.868 -0.335 0.000 0.867 380 T HN 0.391 nan 8.240 nan 0.000 0.454 381 F N 1.776 121.552 119.950 -0.290 0.000 2.102 381 F HA 0.028 4.526 4.527 -0.048 0.000 0.298 381 F C 2.714 178.411 175.800 -0.173 0.000 1.105 381 F CA 0.822 58.700 58.000 -0.203 0.000 1.239 381 F CB -1.064 37.837 39.000 -0.167 0.000 0.991 381 F HN 0.114 nan 8.300 nan 0.000 0.474 382 A N 0.315 123.132 122.820 -0.005 0.000 1.865 382 A HA -0.119 4.174 4.320 -0.045 0.000 0.217 382 A C 2.439 179.963 177.584 -0.100 0.000 1.191 382 A CA 2.039 54.047 52.037 -0.049 0.000 0.623 382 A CB -1.431 17.515 19.000 -0.091 0.000 0.826 382 A HN 0.323 nan 8.150 nan 0.000 0.444 383 A N 0.309 122.965 122.820 -0.273 0.000 1.908 383 A HA -0.159 4.134 4.320 -0.045 0.000 0.218 383 A C 2.549 180.096 177.584 -0.061 0.000 1.181 383 A CA 2.725 54.630 52.037 -0.220 0.000 0.627 383 A CB -1.094 17.636 19.000 -0.449 0.000 0.818 383 A HN 1.101 nan 8.150 nan 0.000 0.445 384 S N -0.062 115.593 115.700 -0.076 0.000 2.383 384 S HA -0.084 4.359 4.470 -0.045 0.000 0.227 384 S C 1.918 176.549 174.600 0.051 0.000 1.026 384 S CA 1.366 59.556 58.200 -0.017 0.000 0.981 384 S CB -0.747 62.407 63.200 -0.076 0.000 0.818 384 S HN 0.458 nan 8.310 nan 0.000 0.472 385 L N 1.474 122.729 121.223 0.054 0.000 2.017 385 L HA -0.075 4.238 4.340 -0.045 0.000 0.208 385 L C 3.290 180.297 176.870 0.228 0.000 1.073 385 L CA 1.355 56.273 54.840 0.129 0.000 0.745 385 L CB -1.035 41.064 42.059 0.066 0.000 0.894 385 L HN 0.487 nan 8.230 nan 0.000 0.432 386 A N 0.096 123.002 122.820 0.143 0.000 1.908 386 A HA -0.217 4.076 4.320 -0.045 0.000 0.218 386 A C 2.515 180.166 177.584 0.111 0.000 1.181 386 A CA 1.904 54.020 52.037 0.132 0.000 0.627 386 A CB -0.754 18.308 19.000 0.103 0.000 0.818 386 A HN 0.431 nan 8.150 nan 0.000 0.445 387 A N -0.455 122.427 122.820 0.102 0.000 1.972 387 A HA 0.202 4.495 4.320 -0.045 0.000 0.219 387 A C 2.301 179.949 177.584 0.106 0.000 1.169 387 A CA 1.879 53.973 52.037 0.095 0.000 0.635 387 A CB -0.741 18.312 19.000 0.088 0.000 0.810 387 A HN 1.124 nan 8.150 nan 0.000 0.446 388 A N -1.893 121.023 122.820 0.161 0.000 2.238 388 A HA 0.424 4.717 4.320 -0.045 0.000 0.208 388 A C 1.564 179.175 177.584 0.045 0.000 1.177 388 A CA 1.149 53.303 52.037 0.195 0.000 0.804 388 A CB -0.746 18.467 19.000 0.354 0.000 0.823 388 A HN 1.906 nan 8.150 nan 0.000 0.482 389 G N -1.752 107.032 108.800 -0.027 0.000 2.167 389 G HA2 -0.155 3.778 3.960 -0.045 0.000 0.194 389 G HA3 -0.155 3.778 3.960 -0.045 0.000 0.194 389 G C -0.349 174.215 174.900 -0.560 0.000 1.027 389 G CA -0.189 44.746 45.100 -0.275 0.000 0.717 389 G HN 0.317 nan 8.290 nan 0.000 0.501 390 F N 1.296 121.187 119.950 -0.099 0.000 2.507 390 F HA 0.558 5.084 4.527 -0.002 0.000 0.325 390 F C 0.800 176.552 175.800 -0.079 0.000 1.116 390 F CA -1.243 56.691 58.000 -0.109 0.000 0.930 390 F CB 1.214 40.208 39.000 -0.010 0.000 1.146 390 F HN 0.083 nan 8.300 nan 0.000 0.447 391 H N 1.836 121.049 119.070 0.239 0.000 2.852 391 H HA 0.387 4.920 4.556 -0.039 0.000 0.362 391 H C -0.356 175.112 175.328 0.232 0.000 1.122 391 H CA -0.048 56.120 56.048 0.200 0.000 1.419 391 H CB 0.933 30.791 29.762 0.160 0.000 1.401 391 H HN 0.282 nan 8.280 nan 0.000 0.609 392 V N 2.772 122.881 119.914 0.325 0.000 2.588 392 V HA 0.296 4.389 4.120 -0.045 0.000 0.304 392 V C -0.068 176.171 176.094 0.241 0.000 1.042 392 V CA -0.808 61.637 62.300 0.242 0.000 0.877 392 V CB 2.173 34.098 31.823 0.170 0.000 0.996 392 V HN 0.442 nan 8.190 nan 0.000 0.425 393 V N 5.651 125.706 119.914 0.235 0.000 2.483 393 V HA 0.527 4.620 4.120 -0.045 0.000 0.297 393 V C -0.280 175.927 176.094 0.187 0.000 1.027 393 V CA -0.317 62.129 62.300 0.243 0.000 0.855 393 V CB 1.812 33.837 31.823 0.335 0.000 0.995 393 V HN 0.915 nan 8.190 nan 0.000 0.424 394 M N 7.681 127.376 119.600 0.158 0.000 1.986 394 M HA 0.330 4.783 4.480 -0.045 0.000 0.247 394 M C -2.891 173.498 176.300 0.148 0.000 0.851 394 M CA -1.372 54.023 55.300 0.159 0.000 0.785 394 M CB 2.083 34.779 32.600 0.159 0.000 1.554 394 M HN 0.334 nan 8.290 nan 0.000 0.361 395 P HA 0.139 nan 4.420 nan 0.000 0.286 395 P C -0.955 176.447 177.300 0.171 0.000 1.269 395 P CA -0.262 62.911 63.100 0.123 0.000 0.787 395 P CB 0.693 32.496 31.700 0.173 0.000 0.920 396 N N 3.448 122.206 118.700 0.097 0.000 2.895 396 N HA 0.054 4.767 4.740 -0.045 0.000 0.277 396 N C 0.187 175.875 175.510 0.297 0.000 1.185 396 N CA -0.082 53.052 53.050 0.140 0.000 1.106 396 N CB -0.507 38.013 38.487 0.055 0.000 1.422 396 N HN 0.455 nan 8.380 nan 0.000 0.521 397 Y N 0.029 120.507 120.300 0.296 0.000 2.511 397 Y HA 0.089 4.612 4.550 -0.046 0.000 0.347 397 Y C 1.144 177.092 175.900 0.080 0.000 1.257 397 Y CA -1.325 56.919 58.100 0.239 0.000 1.469 397 Y CB 0.312 38.822 38.460 0.084 0.000 1.353 397 Y HN 0.265 nan 8.280 nan 0.000 0.617 398 R N 1.185 121.533 120.500 -0.254 0.000 2.538 398 R HA 0.367 4.680 4.340 -0.045 0.000 0.282 398 R C 0.752 176.884 176.300 -0.281 0.000 1.009 398 R CA 0.581 55.989 56.100 -1.153 0.000 1.063 398 R CB -0.303 29.226 30.300 -1.285 0.000 0.945 398 R HN 1.339 nan 8.270 nan 0.000 0.414 399 G N 1.823 110.479 108.800 -0.239 0.000 2.307 399 G HA2 -0.256 3.677 3.960 -0.045 0.000 0.210 399 G HA3 -0.256 3.677 3.960 -0.045 0.000 0.210 399 G C -0.103 174.929 174.900 0.221 0.000 1.005 399 G CA 0.004 45.178 45.100 0.124 0.000 0.634 399 G HN 0.654 nan 8.290 nan 0.000 0.496 400 S N 1.921 117.673 115.700 0.087 0.000 2.572 400 S HA 0.507 4.949 4.470 -0.045 0.000 0.279 400 S C 1.012 175.788 174.600 0.294 0.000 1.341 400 S CA 0.554 58.871 58.200 0.195 0.000 1.043 400 S CB 1.085 64.456 63.200 0.285 0.000 0.887 400 S HN 1.170 nan 8.310 nan 0.000 0.516 401 T N -0.577 114.101 114.554 0.206 0.000 2.754 401 T HA 0.577 4.900 4.350 -0.045 0.000 0.286 401 T C 1.337 176.148 174.700 0.186 0.000 0.997 401 T CA -0.071 62.126 62.100 0.162 0.000 0.982 401 T CB 0.598 69.513 68.868 0.079 0.000 1.027 401 T HN 1.223 nan 8.240 nan 0.000 0.529 402 G N -0.163 108.657 108.800 0.032 0.000 2.217 402 G HA2 -0.241 3.692 3.960 -0.045 0.000 0.246 402 G HA3 -0.241 3.692 3.960 -0.045 0.000 0.246 402 G C 0.208 174.746 174.900 -0.603 0.000 0.990 402 G CA 0.337 45.287 45.100 -0.250 0.000 0.627 402 G HN 0.809 nan 8.290 nan 0.000 0.522 403 Y N 0.949 121.326 120.300 0.128 0.000 2.715 403 Y HA 0.501 5.024 4.550 -0.045 0.000 0.255 403 Y C 1.255 177.229 175.900 0.124 0.000 1.139 403 Y CA 0.265 58.425 58.100 0.102 0.000 1.151 403 Y CB 1.006 39.480 38.460 0.024 0.000 1.201 403 Y HN 1.223 nan 8.280 nan 0.000 0.556 404 G N 0.560 109.453 108.800 0.156 0.000 2.662 404 G HA2 -0.244 3.689 3.960 -0.045 0.000 0.686 404 G HA3 -0.244 3.689 3.960 -0.045 0.000 0.686 404 G C 0.178 175.165 174.900 0.144 0.000 1.271 404 G CA -0.173 45.000 45.100 0.122 0.000 0.816 404 G HN 0.210 nan 8.290 nan 0.000 0.608 405 E N -0.235 120.006 120.200 0.069 0.000 2.110 405 E HA -0.099 4.224 4.350 -0.045 0.000 0.193 405 E C 2.171 178.821 176.600 0.082 0.000 0.988 405 E CA 2.194 58.614 56.400 0.034 0.000 0.804 405 E CB -0.091 29.597 29.700 -0.020 0.000 0.745 405 E HN 0.661 nan 8.360 nan 0.000 0.458 406 E N -0.437 119.837 120.200 0.124 0.000 2.047 406 E HA -0.203 4.120 4.350 -0.045 0.000 0.191 406 E C 1.914 178.651 176.600 0.228 0.000 0.987 406 E CA 1.108 57.597 56.400 0.148 0.000 0.799 406 E CB -0.497 29.291 29.700 0.146 0.000 0.752 406 E HN 0.542 nan 8.360 nan 0.000 0.449 407 W N 1.807 123.161 121.300 0.090 0.000 2.355 407 W HA -0.205 4.427 4.660 -0.047 0.000 0.309 407 W C 2.409 179.015 176.519 0.146 0.000 1.206 407 W CA 1.553 58.972 57.345 0.124 0.000 1.284 407 W CB -0.163 29.392 29.460 0.157 0.000 1.145 407 W HN 0.098 nan 8.180 nan 0.000 0.502 408 R N 0.416 121.022 120.500 0.176 0.000 2.075 408 R HA -0.159 4.154 4.340 -0.045 0.000 0.232 408 R C 2.352 178.706 176.300 0.090 0.000 1.126 408 R CA 1.569 57.729 56.100 0.099 0.000 0.963 408 R CB -0.724 29.607 30.300 0.051 0.000 0.858 408 R HN 0.233 nan 8.270 nan 0.000 0.435 409 L N 0.529 121.786 121.223 0.056 0.000 2.478 409 L HA -0.041 4.272 4.340 -0.045 0.000 0.223 409 L C 2.095 179.000 176.870 0.058 0.000 1.140 409 L CA 0.725 55.607 54.840 0.071 0.000 0.842 409 L CB -0.209 41.875 42.059 0.042 0.000 0.953 409 L HN 0.185 nan 8.230 nan 0.000 0.452 410 K N 0.511 120.914 120.400 0.004 0.000 2.152 410 K HA -0.190 4.103 4.320 -0.045 0.000 0.206 410 K C 2.027 178.620 176.600 -0.012 0.000 1.048 410 K CA 1.257 57.530 56.287 -0.024 0.000 0.933 410 K CB -0.092 32.337 32.500 -0.118 0.000 0.721 410 K HN 0.275 nan 8.250 nan 0.000 0.447 411 I N 1.297 121.865 120.570 -0.003 0.000 2.614 411 I HA -0.138 4.005 4.170 -0.045 0.000 0.258 411 I C 0.153 176.279 176.117 0.015 0.000 1.189 411 I CA 0.332 61.644 61.300 0.020 0.000 1.462 411 I CB 0.237 38.259 38.000 0.038 0.000 1.092 411 I HN -0.000 nan 8.210 nan 0.000 0.442 412 I N 2.416 123.012 120.570 0.043 0.000 2.742 412 I HA -0.013 4.130 4.170 -0.045 0.000 0.287 412 I C 1.563 177.670 176.117 -0.016 0.000 1.186 412 I CA 1.250 62.561 61.300 0.018 0.000 1.417 412 I CB -0.776 37.264 38.000 0.068 0.000 1.377 412 I HN 0.510 nan 8.210 nan 0.000 0.556 413 G N 5.452 114.212 108.800 -0.068 0.000 2.162 413 G HA2 -0.274 3.659 3.960 -0.045 0.000 0.260 413 G HA3 -0.274 3.659 3.960 -0.045 0.000 0.260 413 G C 0.257 175.124 174.900 -0.056 0.000 0.976 413 G CA 0.462 45.519 45.100 -0.073 0.000 0.655 413 G HN 0.664 nan 8.290 nan 0.000 0.533 414 D N 0.200 120.577 120.400 -0.038 0.000 2.992 414 D HA 0.311 4.924 4.640 -0.045 0.000 0.372 414 D C -2.160 174.168 176.300 0.047 0.000 1.374 414 D CA -1.046 52.954 54.000 0.001 0.000 0.769 414 D CB 1.024 41.834 40.800 0.017 0.000 1.215 414 D HN 0.277 nan 8.370 nan 0.000 0.473 415 P HA 0.083 nan 4.420 nan 0.000 0.271 415 P C 0.247 177.714 177.300 0.278 0.000 1.216 415 P CA -0.061 63.205 63.100 0.276 0.000 0.776 415 P CB 1.241 33.099 31.700 0.263 0.000 0.881 416 C N 2.518 121.964 119.300 0.243 0.000 4.067 416 C HA -0.067 4.366 4.460 -0.045 0.000 0.305 416 C C 1.131 176.108 174.990 -0.022 0.000 1.305 416 C CA 0.967 59.993 59.018 0.012 0.000 2.111 416 C CB -2.235 25.503 27.740 -0.003 0.000 1.339 416 C HN 0.889 nan 8.230 nan 0.000 0.668 417 G N 0.299 109.083 108.800 -0.027 0.000 3.481 417 G HA2 0.525 4.458 3.960 -0.045 0.000 0.180 417 G HA3 0.525 4.458 3.960 -0.045 0.000 0.180 417 G C 1.104 175.930 174.900 -0.125 0.000 1.345 417 G CA 0.708 45.761 45.100 -0.078 0.000 1.104 417 G HN 1.163 nan 8.290 nan 0.000 0.749 418 G N 0.830 109.595 108.800 -0.059 0.000 2.442 418 G HA2 -0.139 3.794 3.960 -0.045 0.000 0.219 418 G HA3 -0.139 3.794 3.960 -0.045 0.000 0.219 418 G C 1.515 176.461 174.900 0.077 0.000 1.141 418 G CA 1.899 47.016 45.100 0.027 0.000 0.763 418 G HN 0.602 nan 8.290 nan 0.000 0.554 419 E N 0.748 120.973 120.200 0.041 0.000 2.106 419 E HA -0.108 4.215 4.350 -0.045 0.000 0.192 419 E C 2.410 178.995 176.600 -0.024 0.000 0.984 419 E CA 0.981 57.411 56.400 0.050 0.000 0.806 419 E CB -0.674 29.058 29.700 0.052 0.000 0.750 419 E HN 0.370 nan 8.360 nan 0.000 0.458 420 L N 1.614 122.790 121.223 -0.078 0.000 2.093 420 L HA -0.093 4.220 4.340 -0.045 0.000 0.208 420 L C 2.189 179.032 176.870 -0.045 0.000 1.085 420 L CA 1.733 56.512 54.840 -0.101 0.000 0.755 420 L CB -0.390 41.582 42.059 -0.144 0.000 0.904 420 L HN -0.073 nan 8.230 nan 0.000 0.435 421 E N 0.104 120.259 120.200 -0.076 0.000 2.110 421 E HA -0.208 4.115 4.350 -0.045 0.000 0.193 421 E C 1.870 178.556 176.600 0.145 0.000 0.988 421 E CA 1.381 57.749 56.400 -0.054 0.000 0.804 421 E CB -0.400 29.083 29.700 -0.361 0.000 0.745 421 E HN 0.597 nan 8.360 nan 0.000 0.458 422 D N 0.456 120.985 120.400 0.215 0.000 2.097 422 D HA -0.112 4.501 4.640 -0.045 0.000 0.195 422 D C 2.168 178.603 176.300 0.225 0.000 0.989 422 D CA 0.736 54.906 54.000 0.283 0.000 0.827 422 D CB -0.291 40.730 40.800 0.368 0.000 0.966 422 D HN 0.016 nan 8.370 nan 0.000 0.456 423 V N 1.086 121.104 119.914 0.173 0.000 2.332 423 V HA -0.228 3.865 4.120 -0.045 0.000 0.248 423 V C 2.473 178.692 176.094 0.209 0.000 1.055 423 V CA 1.778 64.182 62.300 0.174 0.000 1.038 423 V CB -0.472 31.401 31.823 0.083 0.000 0.651 423 V HN 0.145 nan 8.190 nan 0.000 0.450 424 S N 0.141 115.927 115.700 0.145 0.000 2.387 424 S HA -0.071 4.372 4.470 -0.045 0.000 0.226 424 S C 2.202 176.861 174.600 0.098 0.000 1.026 424 S CA 1.171 59.421 58.200 0.084 0.000 0.972 424 S CB -0.403 62.805 63.200 0.014 0.000 0.814 424 S HN 0.646 nan 8.310 nan 0.000 0.477 425 A N 1.608 124.518 122.820 0.150 0.000 1.972 425 A HA 0.147 4.440 4.320 -0.045 0.000 0.219 425 A C 2.312 180.030 177.584 0.222 0.000 1.169 425 A CA 1.573 53.717 52.037 0.178 0.000 0.635 425 A CB -0.916 18.208 19.000 0.207 0.000 0.810 425 A HN 0.506 nan 8.150 nan 0.000 0.446 426 A N -0.231 122.727 122.820 0.230 0.000 1.930 426 A HA 0.242 4.535 4.320 -0.045 0.000 0.217 426 A C 2.456 180.249 177.584 0.349 0.000 1.175 426 A CA 1.771 53.982 52.037 0.290 0.000 0.627 426 A CB -0.851 18.288 19.000 0.232 0.000 0.815 426 A HN 0.950 nan 8.150 nan 0.000 0.443 427 A N 0.075 123.044 122.820 0.247 0.000 1.877 427 A HA -0.162 4.130 4.320 -0.045 0.000 0.216 427 A C 2.241 179.868 177.584 0.072 0.000 1.186 427 A CA 1.783 53.911 52.037 0.151 0.000 0.620 427 A CB -0.507 18.424 19.000 -0.114 0.000 0.822 427 A HN 0.562 nan 8.150 nan 0.000 0.443 428 R N -1.734 118.803 120.500 0.062 0.000 2.081 428 R HA -0.216 4.097 4.340 -0.045 0.000 0.235 428 R C 2.001 178.349 176.300 0.080 0.000 1.131 428 R CA 1.927 58.050 56.100 0.039 0.000 0.960 428 R CB -0.499 29.833 30.300 0.052 0.000 0.856 428 R HN 0.708 nan 8.270 nan 0.000 0.436 429 W N 0.960 122.277 121.300 0.028 0.000 2.358 429 W HA -0.135 4.504 4.660 -0.035 0.000 0.303 429 W C 1.937 178.474 176.519 0.031 0.000 1.208 429 W CA 1.965 59.330 57.345 0.033 0.000 1.274 429 W CB -0.408 29.078 29.460 0.042 0.000 1.138 429 W HN 0.213 nan 8.180 nan 0.000 0.515 430 A N 0.696 123.458 122.820 -0.096 0.000 1.933 430 A HA -0.188 4.105 4.320 -0.045 0.000 0.218 430 A C 2.100 179.464 177.584 -0.367 0.000 1.175 430 A CA 1.945 53.758 52.037 -0.373 0.000 0.628 430 A CB -0.903 18.131 19.000 0.056 0.000 0.814 430 A HN 0.468 nan 8.150 nan 0.000 0.444 431 R N -0.357 120.019 120.500 -0.208 0.000 2.075 431 R HA -0.056 4.257 4.340 -0.045 0.000 0.226 431 R C 1.911 178.091 176.300 -0.200 0.000 1.114 431 R CA 1.532 57.534 56.100 -0.163 0.000 0.972 431 R CB -0.225 30.012 30.300 -0.106 0.000 0.869 431 R HN 0.609 nan 8.270 nan 0.000 0.437 432 E N -0.061 120.008 120.200 -0.219 0.000 2.216 432 E HA -0.086 4.237 4.350 -0.045 0.000 0.192 432 E C 1.703 178.159 176.600 -0.240 0.000 0.988 432 E CA 1.169 57.464 56.400 -0.175 0.000 0.834 432 E CB 0.254 29.896 29.700 -0.097 0.000 0.772 432 E HN 0.436 nan 8.360 nan 0.000 0.479 433 S N -0.791 114.629 115.700 -0.467 0.000 2.522 433 S HA 0.069 4.512 4.470 -0.045 0.000 0.227 433 S C 1.662 176.070 174.600 -0.320 0.000 0.986 433 S CA 0.546 58.462 58.200 -0.473 0.000 0.929 433 S CB 0.356 62.971 63.200 -0.976 0.000 0.769 433 S HN 0.346 nan 8.310 nan 0.000 0.529 434 G N 0.566 109.196 108.800 -0.284 0.000 2.175 434 G HA2 -0.239 3.694 3.960 -0.045 0.000 0.244 434 G HA3 -0.239 3.694 3.960 -0.045 0.000 0.244 434 G C 0.433 175.228 174.900 -0.176 0.000 0.982 434 G CA 0.304 45.296 45.100 -0.180 0.000 0.641 434 G HN 0.577 nan 8.290 nan 0.000 0.527 435 L N 0.884 121.947 121.223 -0.267 0.000 2.131 435 L HA 0.715 5.028 4.340 -0.045 0.000 0.206 435 L C 1.701 178.549 176.870 -0.036 0.000 1.087 435 L CA 2.398 57.115 54.840 -0.205 0.000 0.767 435 L CB -0.225 41.658 42.059 -0.293 0.000 0.917 435 L HN 0.895 nan 8.230 nan 0.000 0.441 436 A N -1.419 121.373 122.820 -0.048 0.000 2.271 436 A HA 0.508 4.801 4.320 -0.045 0.000 0.317 436 A C 1.009 178.598 177.584 0.010 0.000 1.245 436 A CA 0.144 52.208 52.037 0.043 0.000 0.857 436 A CB 0.610 19.631 19.000 0.036 0.000 1.175 436 A HN 0.401 nan 8.150 nan 0.000 0.512 437 S N 1.415 117.137 115.700 0.037 0.000 2.478 437 S HA 0.143 4.586 4.470 -0.045 0.000 0.222 437 S C 0.408 175.001 174.600 -0.011 0.000 1.008 437 S CA 0.653 58.856 58.200 0.005 0.000 0.928 437 S CB -0.305 62.901 63.200 0.010 0.000 0.781 437 S HN 0.931 nan 8.310 nan 0.000 0.518 438 E N -0.394 119.808 120.200 0.003 0.000 2.388 438 E HA 0.623 4.946 4.350 -0.045 0.000 0.280 438 E C -1.855 174.700 176.600 -0.075 0.000 1.019 438 E CA -1.081 55.280 56.400 -0.066 0.000 0.806 438 E CB 0.842 30.491 29.700 -0.085 0.000 1.246 438 E HN 0.181 nan 8.360 nan 0.000 0.443 439 L N 2.170 123.274 121.223 -0.198 0.000 2.385 439 L HA 0.576 4.889 4.340 -0.045 0.000 0.273 439 L C -1.421 175.370 176.870 -0.133 0.000 0.990 439 L CA -0.791 54.042 54.840 -0.013 0.000 0.821 439 L CB 1.390 43.514 42.059 0.109 0.000 1.279 439 L HN 0.603 nan 8.230 nan 0.000 0.412 440 Y N 2.774 123.260 120.300 0.310 0.000 2.562 440 Y HA 0.611 5.118 4.550 -0.073 0.000 0.343 440 Y C -0.282 175.471 175.900 -0.244 0.000 1.025 440 Y CA -0.742 57.426 58.100 0.112 0.000 1.082 440 Y CB 2.346 40.813 38.460 0.012 0.000 1.264 440 Y HN 0.354 nan 8.280 nan 0.000 0.478 441 I N 3.314 123.608 120.570 -0.460 0.000 2.474 441 I HA 0.606 4.749 4.170 -0.045 0.000 0.294 441 I C -1.261 174.681 176.117 -0.292 0.000 1.005 441 I CA -0.872 60.007 61.300 -0.702 0.000 1.113 441 I CB 1.366 38.526 38.000 -1.400 0.000 1.289 441 I HN 0.813 nan 8.210 nan 0.000 0.436 442 M N 6.826 126.294 119.600 -0.220 0.000 2.433 442 M HA 0.754 5.206 4.480 -0.045 0.000 0.290 442 M C -1.430 174.773 176.300 -0.163 0.000 1.173 442 M CA -0.243 54.956 55.300 -0.168 0.000 0.905 442 M CB 2.264 34.809 32.600 -0.091 0.000 1.692 442 M HN 0.694 nan 8.290 nan 0.000 0.462 443 G N 2.202 110.858 108.800 -0.241 0.000 2.579 443 G HA2 0.575 4.508 3.960 -0.045 0.000 0.292 443 G HA3 0.575 4.508 3.960 -0.045 0.000 0.292 443 G C -2.720 171.963 174.900 -0.362 0.000 1.484 443 G CA -0.471 44.521 45.100 -0.180 0.000 0.813 443 G HN 0.619 nan 8.290 nan 0.000 0.515 444 Y N 0.604 120.766 120.300 -0.231 0.000 2.409 444 Y HA 0.715 5.237 4.550 -0.047 0.000 0.343 444 Y C 1.096 176.948 175.900 -0.080 0.000 0.973 444 Y CA 0.604 58.574 58.100 -0.217 0.000 1.064 444 Y CB 2.275 40.511 38.460 -0.372 0.000 1.207 444 Y HN 1.133 nan 8.280 nan 0.000 0.452 445 S N 1.153 116.906 115.700 0.090 0.000 4.120 445 S HA -0.406 4.037 4.470 -0.045 0.000 0.625 445 S C 1.058 175.770 174.600 0.186 0.000 1.925 445 S CA 1.442 59.779 58.200 0.229 0.000 4.213 445 S CB -1.534 61.915 63.200 0.415 0.000 0.206 445 S HN 0.858 nan 8.310 nan 0.000 0.523 446 Y N 2.369 122.770 120.300 0.167 0.000 2.256 446 Y HA 0.031 4.554 4.550 -0.046 0.000 0.288 446 Y C 2.318 178.302 175.900 0.141 0.000 1.155 446 Y CA 2.510 60.716 58.100 0.177 0.000 1.203 446 Y CB -0.944 37.652 38.460 0.227 0.000 0.980 446 Y HN 0.539 nan 8.280 nan 0.000 0.530 447 G N -0.969 107.956 108.800 0.207 0.000 2.422 447 G HA2 -0.244 3.688 3.960 -0.045 0.000 0.218 447 G HA3 -0.244 3.688 3.960 -0.045 0.000 0.218 447 G C 1.879 176.720 174.900 -0.098 0.000 1.146 447 G CA 0.789 45.917 45.100 0.047 0.000 0.769 447 G HN 0.554 nan 8.290 nan 0.000 0.547 448 G N -0.462 108.272 108.800 -0.111 0.000 2.430 448 G HA2 -0.153 3.780 3.960 -0.045 0.000 0.216 448 G HA3 -0.153 3.780 3.960 -0.045 0.000 0.216 448 G C 1.572 176.377 174.900 -0.159 0.000 1.146 448 G CA 0.897 45.883 45.100 -0.190 0.000 0.793 448 G HN 0.392 nan 8.290 nan 0.000 0.537 449 Y N 1.134 121.250 120.300 -0.306 0.000 2.128 449 Y HA -0.165 4.359 4.550 -0.044 0.000 0.284 449 Y C 2.717 178.397 175.900 -0.365 0.000 1.154 449 Y CA 1.679 59.538 58.100 -0.401 0.000 1.149 449 Y CB -0.081 37.996 38.460 -0.638 0.000 0.976 449 Y HN 0.076 nan 8.280 nan 0.000 0.505 450 M N -0.593 118.747 119.600 -0.433 0.000 2.159 450 M HA -0.199 4.254 4.480 -0.045 0.000 0.263 450 M C 2.053 178.158 176.300 -0.325 0.000 1.063 450 M CA 1.954 56.995 55.300 -0.430 0.000 1.110 450 M CB -1.467 30.942 32.600 -0.318 0.000 1.374 450 M HN 0.263 nan 8.290 nan 0.000 0.411 451 T N 1.665 116.053 114.554 -0.277 0.000 2.652 451 T HA -0.138 4.185 4.350 -0.045 0.000 0.267 451 T C 2.000 176.573 174.700 -0.211 0.000 1.039 451 T CA 1.264 63.215 62.100 -0.247 0.000 1.153 451 T CB -0.362 68.364 68.868 -0.236 0.000 0.863 451 T HN 0.330 nan 8.240 nan 0.000 0.428 452 L N 0.243 121.326 121.223 -0.234 0.000 2.083 452 L HA -0.101 4.212 4.340 -0.045 0.000 0.209 452 L C 2.843 179.576 176.870 -0.228 0.000 1.083 452 L CA 0.856 55.575 54.840 -0.202 0.000 0.752 452 L CB -0.663 41.282 42.059 -0.190 0.000 0.899 452 L HN 0.405 nan 8.230 nan 0.000 0.433 453 C N -0.416 118.670 119.300 -0.358 0.000 2.457 453 C HA -0.013 4.420 4.460 -0.045 0.000 0.278 453 C C 3.109 177.971 174.990 -0.213 0.000 1.309 453 C CA 0.580 59.382 59.018 -0.360 0.000 1.735 453 C CB -0.840 26.555 27.740 -0.576 0.000 1.992 453 C HN 0.596 nan 8.230 nan 0.000 0.493 454 A N 0.415 123.145 122.820 -0.149 0.000 1.898 454 A HA -0.016 4.276 4.320 -0.045 0.000 0.216 454 A C 2.090 179.693 177.584 0.032 0.000 1.181 454 A CA 1.229 53.265 52.037 -0.001 0.000 0.620 454 A CB -0.504 18.582 19.000 0.143 0.000 0.819 454 A HN 0.584 nan 8.150 nan 0.000 0.442 455 L N -0.009 121.214 121.223 -0.001 0.000 2.217 455 L HA -0.100 4.213 4.340 -0.045 0.000 0.211 455 L C 2.839 179.704 176.870 -0.009 0.000 1.107 455 L CA 1.787 56.641 54.840 0.024 0.000 0.783 455 L CB -0.981 41.089 42.059 0.019 0.000 0.919 455 L HN 0.667 nan 8.230 nan 0.000 0.442 456 T N -3.453 111.072 114.554 -0.049 0.000 2.894 456 T HA -0.030 4.293 4.350 -0.045 0.000 0.258 456 T C 1.738 176.389 174.700 -0.081 0.000 1.043 456 T CA 0.480 62.553 62.100 -0.045 0.000 1.141 456 T CB 0.041 68.890 68.868 -0.031 0.000 0.873 456 T HN 0.012 nan 8.240 nan 0.000 0.449 457 M N 0.124 119.648 119.600 -0.126 0.000 2.492 457 M HA 0.412 4.865 4.480 -0.045 0.000 0.255 457 M C 0.522 176.764 176.300 -0.097 0.000 1.139 457 M CA 0.705 55.916 55.300 -0.150 0.000 1.096 457 M CB -0.487 31.989 32.600 -0.206 0.000 1.360 457 M HN 0.144 nan 8.290 nan 0.000 0.480 458 K N 0.769 121.132 120.400 -0.062 0.000 3.271 458 K HA 0.263 4.556 4.320 -0.045 0.000 0.192 458 K C -2.502 174.083 176.600 -0.025 0.000 1.108 458 K CA -1.428 54.830 56.287 -0.049 0.000 0.902 458 K CB 0.788 33.260 32.500 -0.047 0.000 0.889 458 K HN -0.018 nan 8.250 nan 0.000 0.520 459 P HA 0.004 nan 4.420 nan 0.000 0.265 459 P C 0.738 178.025 177.300 -0.022 0.000 1.193 459 P CA 1.056 64.154 63.100 -0.003 0.000 0.765 459 P CB 1.084 32.782 31.700 -0.004 0.000 0.823 460 G N 1.740 110.532 108.800 -0.013 0.000 2.199 460 G HA2 -0.319 3.614 3.960 -0.045 0.000 0.254 460 G HA3 -0.319 3.614 3.960 -0.045 0.000 0.254 460 G C 0.561 175.403 174.900 -0.097 0.000 0.982 460 G CA 0.304 45.380 45.100 -0.040 0.000 0.632 460 G HN 0.561 nan 8.290 nan 0.000 0.529 461 L N -0.110 121.025 121.223 -0.147 0.000 2.044 461 L HA 0.539 4.852 4.340 -0.045 0.000 0.205 461 L C 1.089 177.646 176.870 -0.521 0.000 1.075 461 L CA 1.358 55.984 54.840 -0.358 0.000 0.747 461 L CB -0.316 41.470 42.059 -0.455 0.000 0.903 461 L HN 0.220 nan 8.230 nan 0.000 0.435 462 F N -0.767 119.156 119.950 -0.045 0.000 2.483 462 F HA 0.305 4.800 4.527 -0.053 0.000 0.329 462 F C 1.503 177.251 175.800 -0.086 0.000 1.064 462 F CA -0.539 57.418 58.000 -0.071 0.000 0.986 462 F CB 1.105 40.092 39.000 -0.021 0.000 1.218 462 F HN -0.227 nan 8.300 nan 0.000 0.484 463 K N 1.153 121.559 120.400 0.010 0.000 2.167 463 K HA 0.373 4.666 4.320 -0.045 0.000 0.203 463 K C -0.097 176.573 176.600 0.117 0.000 1.052 463 K CA 0.997 57.251 56.287 -0.055 0.000 0.956 463 K CB 0.210 32.515 32.500 -0.326 0.000 0.735 463 K HN 0.730 nan 8.250 nan 0.000 0.451 464 A N -0.740 122.229 122.820 0.250 0.000 2.586 464 A HA 0.603 4.896 4.320 -0.045 0.000 0.291 464 A C -1.109 176.699 177.584 0.374 0.000 1.062 464 A CA -0.475 51.788 52.037 0.377 0.000 0.666 464 A CB 1.351 20.587 19.000 0.392 0.000 1.281 464 A HN 0.189 nan 8.150 nan 0.000 0.421 465 G N -0.510 108.496 108.800 0.343 0.000 2.617 465 G HA2 0.616 4.549 3.960 -0.045 0.000 0.306 465 G HA3 0.616 4.549 3.960 -0.045 0.000 0.306 465 G C -1.487 173.459 174.900 0.077 0.000 1.360 465 G CA -0.482 44.694 45.100 0.128 0.000 0.983 465 G HN 1.158 nan 8.290 nan 0.000 0.496 466 V N 1.154 121.043 119.914 -0.041 0.000 2.384 466 V HA 0.701 4.794 4.120 -0.045 0.000 0.287 466 V C 0.272 176.197 176.094 -0.282 0.000 1.020 466 V CA -0.682 61.512 62.300 -0.177 0.000 0.850 466 V CB 1.303 33.055 31.823 -0.118 0.000 0.987 466 V HN 1.090 nan 8.190 nan 0.000 0.436 467 A N 3.991 126.630 122.820 -0.303 0.000 2.360 467 A HA 0.796 5.089 4.320 -0.045 0.000 0.309 467 A C 0.288 177.644 177.584 -0.381 0.000 1.311 467 A CA -0.194 51.651 52.037 -0.319 0.000 0.805 467 A CB 0.792 19.669 19.000 -0.205 0.000 1.144 467 A HN 0.964 nan 8.150 nan 0.000 0.486 468 G N 1.030 109.419 108.800 -0.684 0.000 2.356 468 G HA2 0.631 4.564 3.960 -0.045 0.000 0.322 468 G HA3 0.631 4.564 3.960 -0.045 0.000 0.322 468 G C 0.721 175.411 174.900 -0.349 0.000 1.125 468 G CA 0.103 44.785 45.100 -0.698 0.000 0.885 468 G HN 2.265 nan 8.290 nan 0.000 0.467 469 A N 1.577 124.187 122.820 -0.350 0.000 2.462 469 A HA -0.101 4.192 4.320 -0.045 0.000 0.294 469 A C 1.038 178.527 177.584 -0.159 0.000 1.461 469 A CA 0.948 52.652 52.037 -0.555 0.000 0.765 469 A CB -1.931 16.837 19.000 -0.386 0.000 1.071 469 A HN 1.171 nan 8.150 nan 0.000 0.401 470 S N -0.927 114.764 115.700 -0.016 0.000 2.601 470 S HA 0.456 4.898 4.470 -0.045 0.000 0.271 470 S C 0.646 175.257 174.600 0.018 0.000 1.305 470 S CA -0.342 57.861 58.200 0.006 0.000 1.022 470 S CB 1.553 64.736 63.200 -0.027 0.000 0.940 470 S HN 0.779 nan 8.310 nan 0.000 0.525 471 V N 3.340 123.187 119.914 -0.111 0.000 2.555 471 V HA 0.109 4.202 4.120 -0.045 0.000 0.286 471 V C 0.786 176.746 176.094 -0.223 0.000 1.044 471 V CA 0.188 62.287 62.300 -0.336 0.000 1.026 471 V CB 0.988 32.269 31.823 -0.904 0.000 0.981 471 V HN 0.844 nan 8.190 nan 0.000 0.480 472 V N 2.171 121.935 119.914 -0.250 0.000 3.058 472 V HA 0.287 4.380 4.120 -0.045 0.000 0.233 472 V C 0.234 176.218 176.094 -0.183 0.000 1.255 472 V CA 0.520 62.722 62.300 -0.163 0.000 1.267 472 V CB 0.626 32.369 31.823 -0.134 0.000 1.049 472 V HN 0.910 nan 8.190 nan 0.000 0.486 473 D N -1.661 118.605 120.400 -0.222 0.000 2.602 473 D HA 0.155 4.768 4.640 -0.045 0.000 0.245 473 D C 0.006 176.242 176.300 -0.107 0.000 1.325 473 D CA -0.510 53.410 54.000 -0.133 0.000 0.952 473 D CB 1.286 42.054 40.800 -0.054 0.000 1.317 473 D HN 0.149 nan 8.370 nan 0.000 0.577 474 W N 2.105 123.417 121.300 0.021 0.000 2.338 474 W HA -0.138 4.495 4.660 -0.045 0.000 0.304 474 W C 2.218 178.777 176.519 0.066 0.000 1.212 474 W CA 0.335 57.692 57.345 0.021 0.000 1.264 474 W CB 0.238 29.695 29.460 -0.005 0.000 1.142 474 W HN 0.453 nan 8.180 nan 0.000 0.512 475 E N 0.589 120.951 120.200 0.269 0.000 2.028 475 E HA -0.222 4.101 4.350 -0.045 0.000 0.191 475 E C 1.938 178.652 176.600 0.190 0.000 0.988 475 E CA 1.587 58.101 56.400 0.190 0.000 0.799 475 E CB -0.454 29.311 29.700 0.108 0.000 0.755 475 E HN 0.427 nan 8.360 nan 0.000 0.447 476 E N 0.134 120.403 120.200 0.116 0.000 2.077 476 E HA -0.174 4.149 4.350 -0.045 0.000 0.193 476 E C 2.264 178.918 176.600 0.090 0.000 0.989 476 E CA 1.145 57.592 56.400 0.080 0.000 0.800 476 E CB -0.159 29.556 29.700 0.024 0.000 0.746 476 E HN 0.187 nan 8.360 nan 0.000 0.452 477 M N -0.173 119.482 119.600 0.092 0.000 2.159 477 M HA -0.208 4.245 4.480 -0.045 0.000 0.263 477 M C 2.096 178.490 176.300 0.156 0.000 1.063 477 M CA 1.605 56.955 55.300 0.083 0.000 1.110 477 M CB -0.250 32.377 32.600 0.044 0.000 1.374 477 M HN 0.274 nan 8.290 nan 0.000 0.411 478 Y N 1.264 121.640 120.300 0.126 0.000 2.145 478 Y HA -0.246 4.277 4.550 -0.046 0.000 0.286 478 Y C 1.909 177.865 175.900 0.093 0.000 1.145 478 Y CA 2.333 60.517 58.100 0.140 0.000 1.148 478 Y CB -0.294 38.252 38.460 0.144 0.000 0.981 478 Y HN 0.358 nan 8.280 nan 0.000 0.507 479 E N -0.025 120.285 120.200 0.184 0.000 2.265 479 E HA -0.148 4.175 4.350 -0.045 0.000 0.196 479 E C 1.669 178.261 176.600 -0.012 0.000 0.996 479 E CA 1.099 57.544 56.400 0.075 0.000 0.832 479 E CB -0.145 29.631 29.700 0.126 0.000 0.756 479 E HN 0.532 nan 8.360 nan 0.000 0.491 480 L N 0.398 121.618 121.223 -0.006 0.000 2.607 480 L HA 0.116 4.429 4.340 -0.045 0.000 0.228 480 L C 0.528 177.370 176.870 -0.048 0.000 1.123 480 L CA -0.207 54.618 54.840 -0.025 0.000 0.890 480 L CB 0.499 42.548 42.059 -0.016 0.000 1.103 480 L HN -0.140 nan 8.230 nan 0.000 0.468 481 S N -0.072 115.584 115.700 -0.073 0.000 2.578 481 S HA 0.244 4.687 4.470 -0.045 0.000 0.283 481 S C -0.351 174.217 174.600 -0.053 0.000 1.195 481 S CA -0.916 57.258 58.200 -0.043 0.000 1.050 481 S CB 1.490 64.708 63.200 0.030 0.000 1.012 481 S HN 0.274 nan 8.310 nan 0.000 0.511 482 D N 1.067 121.478 120.400 0.019 0.000 2.393 482 D HA 0.344 4.957 4.640 -0.045 0.000 0.246 482 D C 1.234 177.527 176.300 -0.012 0.000 1.275 482 D CA -0.204 53.803 54.000 0.012 0.000 0.979 482 D CB 0.173 41.003 40.800 0.050 0.000 1.101 482 D HN 0.377 nan 8.370 nan 0.000 0.505 483 A N 0.397 123.187 122.820 -0.051 0.000 1.917 483 A HA -0.049 4.244 4.320 -0.045 0.000 0.219 483 A C 2.226 179.728 177.584 -0.136 0.000 1.182 483 A CA 2.883 54.870 52.037 -0.084 0.000 0.633 483 A CB -1.424 17.526 19.000 -0.084 0.000 0.819 483 A HN 0.741 nan 8.150 nan 0.000 0.448 484 A N -1.192 121.466 122.820 -0.271 0.000 1.858 484 A HA -0.036 4.257 4.320 -0.045 0.000 0.216 484 A C 1.991 179.278 177.584 -0.496 0.000 1.190 484 A CA 1.636 53.246 52.037 -0.712 0.000 0.617 484 A CB -0.797 17.385 19.000 -1.364 0.000 0.827 484 A HN 0.485 nan 8.150 nan 0.000 0.443 485 F N -0.367 119.504 119.950 -0.131 0.000 2.259 485 F HA -0.030 4.470 4.527 -0.046 0.000 0.298 485 F C 2.595 178.516 175.800 0.201 0.000 1.088 485 F CA 1.246 59.358 58.000 0.187 0.000 1.358 485 F CB -0.137 38.964 39.000 0.169 0.000 1.040 485 F HN 0.098 nan 8.300 nan 0.000 0.505 486 R N 0.104 120.703 120.500 0.164 0.000 2.073 486 R HA -0.193 4.120 4.340 -0.045 0.000 0.234 486 R C 2.199 178.681 176.300 0.303 0.000 1.134 486 R CA 1.489 57.619 56.100 0.050 0.000 0.952 486 R CB -0.802 29.310 30.300 -0.314 0.000 0.850 486 R HN 0.328 nan 8.270 nan 0.000 0.433 487 N N 0.431 119.249 118.700 0.196 0.000 2.069 487 N HA -0.209 4.504 4.740 -0.045 0.000 0.191 487 N C 1.751 177.460 175.510 0.331 0.000 1.031 487 N CA 1.262 54.451 53.050 0.231 0.000 0.852 487 N CB -0.095 38.486 38.487 0.158 0.000 1.018 487 N HN 0.059 nan 8.380 nan 0.000 0.423 488 F N 1.978 122.047 119.950 0.198 0.000 2.134 488 F HA -0.017 4.483 4.527 -0.046 0.000 0.299 488 F C 2.292 178.193 175.800 0.167 0.000 1.097 488 F CA 0.832 58.965 58.000 0.221 0.000 1.264 488 F CB -0.538 38.617 39.000 0.258 0.000 1.001 488 F HN 0.010 nan 8.300 nan 0.000 0.479 489 I N 0.094 120.810 120.570 0.245 0.000 2.163 489 I HA -0.328 3.815 4.170 -0.045 0.000 0.243 489 I C 2.286 178.358 176.117 -0.075 0.000 1.085 489 I CA 1.722 63.077 61.300 0.092 0.000 1.347 489 I CB -0.568 37.682 38.000 0.416 0.000 1.044 489 I HN 0.168 nan 8.210 nan 0.000 0.408 490 E N 0.384 120.628 120.200 0.072 0.000 2.070 490 E HA -0.301 4.022 4.350 -0.045 0.000 0.197 490 E C 2.259 178.822 176.600 -0.060 0.000 1.004 490 E CA 1.440 57.835 56.400 -0.008 0.000 0.805 490 E CB -0.150 29.605 29.700 0.092 0.000 0.744 490 E HN 0.550 nan 8.360 nan 0.000 0.451 491 Q N 0.270 120.061 119.800 -0.014 0.000 2.050 491 Q HA -0.147 4.166 4.340 -0.045 0.000 0.202 491 Q C 2.443 178.356 176.000 -0.146 0.000 0.980 491 Q CA 1.045 56.841 55.803 -0.010 0.000 0.840 491 Q CB -0.118 28.694 28.738 0.124 0.000 0.898 491 Q HN 0.331 nan 8.270 nan 0.000 0.424 492 L N 0.345 121.354 121.223 -0.357 0.000 2.046 492 L HA -0.154 4.158 4.340 -0.045 0.000 0.208 492 L C 2.605 179.226 176.870 -0.414 0.000 1.077 492 L CA 1.684 56.244 54.840 -0.466 0.000 0.747 492 L CB -0.615 41.008 42.059 -0.726 0.000 0.896 492 L HN 0.429 nan 8.230 nan 0.000 0.432 493 T N -4.318 109.948 114.554 -0.481 0.000 3.081 493 T HA 0.148 4.471 4.350 -0.045 0.000 0.255 493 T C 1.490 176.044 174.700 -0.243 0.000 1.113 493 T CA 0.566 62.395 62.100 -0.451 0.000 1.082 493 T CB 0.458 68.976 68.868 -0.583 0.000 0.939 493 T HN 0.484 nan 8.240 nan 0.000 0.506 494 G N 0.784 109.480 108.800 -0.173 0.000 2.179 494 G HA2 0.020 3.953 3.960 -0.045 0.000 0.260 494 G HA3 0.020 3.953 3.960 -0.045 0.000 0.260 494 G C 1.260 176.103 174.900 -0.095 0.000 0.977 494 G CA 0.546 45.586 45.100 -0.101 0.000 0.641 494 G HN 1.734 nan 8.290 nan 0.000 0.533 495 G N -1.111 107.607 108.800 -0.135 0.000 2.267 495 G HA2 -0.041 3.892 3.960 -0.045 0.000 0.257 495 G HA3 -0.041 3.892 3.960 -0.045 0.000 0.257 495 G C 0.813 175.632 174.900 -0.133 0.000 0.998 495 G CA 1.508 46.527 45.100 -0.135 0.000 0.620 495 G HN 2.276 nan 8.290 nan 0.000 0.529 496 S N 0.858 116.491 115.700 -0.111 0.000 2.544 496 S HA 0.490 4.933 4.470 -0.045 0.000 0.290 496 S C 1.914 176.459 174.600 -0.093 0.000 1.276 496 S CA 1.274 59.423 58.200 -0.086 0.000 1.075 496 S CB 0.949 64.108 63.200 -0.068 0.000 0.849 496 S HN 1.548 nan 8.310 nan 0.000 0.494 497 R N 3.960 124.416 120.500 -0.072 0.000 2.115 497 R HA 0.022 4.335 4.340 -0.045 0.000 0.230 497 R C 1.961 178.247 176.300 -0.023 0.000 1.111 497 R CA 1.610 57.677 56.100 -0.055 0.000 0.976 497 R CB -1.341 28.932 30.300 -0.044 0.000 0.870 497 R HN 0.811 nan 8.270 nan 0.000 0.445 498 E N 0.470 120.659 120.200 -0.019 0.000 2.077 498 E HA -0.069 4.253 4.350 -0.045 0.000 0.193 498 E C 2.043 178.650 176.600 0.012 0.000 0.989 498 E CA 1.047 57.448 56.400 0.001 0.000 0.800 498 E CB -0.028 29.672 29.700 -0.000 0.000 0.746 498 E HN 0.481 nan 8.360 nan 0.000 0.452 499 I N 0.584 121.144 120.570 -0.017 0.000 2.252 499 I HA -0.236 3.907 4.170 -0.045 0.000 0.245 499 I C 2.484 178.601 176.117 0.000 0.000 1.102 499 I CA 0.945 62.231 61.300 -0.024 0.000 1.385 499 I CB -0.849 37.096 38.000 -0.091 0.000 1.064 499 I HN 0.177 nan 8.210 nan 0.000 0.414 500 M N -0.427 119.157 119.600 -0.027 0.000 2.149 500 M HA -0.244 4.209 4.480 -0.045 0.000 0.261 500 M C 2.623 179.056 176.300 0.222 0.000 1.064 500 M CA 1.794 57.138 55.300 0.073 0.000 1.102 500 M CB -0.441 32.174 32.600 0.025 0.000 1.369 500 M HN 0.130 nan 8.290 nan 0.000 0.408 501 R N 0.058 120.633 120.500 0.125 0.000 2.064 501 R HA -0.032 4.281 4.340 -0.045 0.000 0.221 501 R C 2.330 178.710 176.300 0.133 0.000 1.136 501 R CA 1.750 57.913 56.100 0.106 0.000 0.980 501 R CB -1.097 29.229 30.300 0.044 0.000 0.876 501 R HN 0.662 nan 8.270 nan 0.000 0.437 502 S N 0.506 116.288 115.700 0.138 0.000 2.419 502 S HA -0.016 4.426 4.470 -0.045 0.000 0.233 502 S C 1.655 176.459 174.600 0.339 0.000 1.016 502 S CA 0.832 59.157 58.200 0.208 0.000 0.974 502 S CB -0.231 63.053 63.200 0.139 0.000 0.786 502 S HN 0.388 nan 8.310 nan 0.000 0.492 503 R N 1.395 122.073 120.500 0.297 0.000 2.426 503 R HA 0.405 4.718 4.340 -0.045 0.000 0.263 503 R C -0.350 176.238 176.300 0.480 0.000 0.961 503 R CA -0.035 56.275 56.100 0.349 0.000 1.086 503 R CB -0.398 30.113 30.300 0.352 0.000 1.186 503 R HN 0.298 nan 8.270 nan 0.000 0.537 504 S N 2.720 118.651 115.700 0.384 0.000 2.422 504 S HA 0.231 4.674 4.470 -0.045 0.000 0.308 504 S C -1.593 173.127 174.600 0.200 0.000 1.097 504 S CA -1.225 57.121 58.200 0.244 0.000 1.099 504 S CB 1.917 65.206 63.200 0.149 0.000 0.976 504 S HN 0.034 nan 8.310 nan 0.000 0.471 505 P HA -0.064 nan 4.420 nan 0.000 0.222 505 P C 1.294 178.616 177.300 0.036 0.000 1.147 505 P CA 0.603 63.750 63.100 0.079 0.000 0.790 505 P CB 0.105 31.762 31.700 -0.072 0.000 0.780 506 I N -0.141 120.416 120.570 -0.021 0.000 2.700 506 I HA -0.153 3.990 4.170 -0.045 0.000 0.261 506 I C 1.051 177.112 176.117 -0.094 0.000 1.219 506 I CA 1.042 62.302 61.300 -0.066 0.000 1.463 506 I CB -0.157 37.796 38.000 -0.078 0.000 1.092 506 I HN -0.122 nan 8.210 nan 0.000 0.452 507 N N -0.180 118.432 118.700 -0.146 0.000 2.322 507 N HA 0.045 4.758 4.740 -0.045 0.000 0.194 507 N C 0.228 175.403 175.510 -0.557 0.000 1.126 507 N CA 0.474 53.324 53.050 -0.334 0.000 0.845 507 N CB 0.123 38.381 38.487 -0.380 0.000 0.976 507 N HN 0.492 nan 8.380 nan 0.000 0.475 508 H N -0.853 118.195 119.070 -0.036 0.000 2.750 508 H HA 0.220 4.749 4.556 -0.045 0.000 0.252 508 H C 1.385 176.686 175.328 -0.045 0.000 1.176 508 H CA -0.124 55.901 56.048 -0.038 0.000 0.987 508 H CB 0.497 30.234 29.762 -0.041 0.000 1.810 508 H HN -0.104 nan 8.280 nan 0.000 0.630 509 V N 0.587 120.507 119.914 0.010 0.000 2.392 509 V HA -0.231 3.862 4.120 -0.045 0.000 0.249 509 V C 2.030 178.122 176.094 -0.004 0.000 1.059 509 V CA 1.837 64.127 62.300 -0.016 0.000 1.051 509 V CB -0.072 31.716 31.823 -0.058 0.000 0.658 509 V HN 0.373 nan 8.190 nan 0.000 0.455 510 D N 0.102 120.503 120.400 0.001 0.000 2.190 510 D HA -0.180 4.433 4.640 -0.045 0.000 0.200 510 D C 2.340 178.649 176.300 0.015 0.000 0.992 510 D CA 1.243 55.246 54.000 0.006 0.000 0.854 510 D CB -0.186 40.617 40.800 0.006 0.000 0.936 510 D HN 0.442 nan 8.370 nan 0.000 0.462 511 R N -0.027 120.489 120.500 0.026 0.000 2.276 511 R HA 0.109 4.422 4.340 -0.045 0.000 0.203 511 R C 0.829 177.138 176.300 0.014 0.000 1.017 511 R CA -0.016 56.095 56.100 0.019 0.000 1.010 511 R CB 0.210 30.522 30.300 0.020 0.000 0.900 511 R HN 0.217 nan 8.270 nan 0.000 0.469 512 I N 1.935 122.514 120.570 0.015 0.000 2.618 512 I HA -0.089 4.054 4.170 -0.045 0.000 0.284 512 I C 1.176 177.311 176.117 0.030 0.000 1.146 512 I CA 0.690 62.002 61.300 0.019 0.000 1.425 512 I CB 0.650 38.657 38.000 0.012 0.000 1.383 512 I HN -0.043 nan 8.210 nan 0.000 0.562 513 K N 4.073 124.496 120.400 0.039 0.000 2.491 513 K HA 0.241 4.534 4.320 -0.045 0.000 0.211 513 K C -0.099 176.540 176.600 0.065 0.000 1.210 513 K CA 0.109 56.422 56.287 0.044 0.000 1.003 513 K CB 0.671 33.189 32.500 0.030 0.000 1.009 513 K HN 0.492 nan 8.250 nan 0.000 0.577 514 E N 1.390 121.640 120.200 0.083 0.000 2.222 514 E HA 0.298 4.621 4.350 -0.045 0.000 0.272 514 E C -2.662 174.033 176.600 0.158 0.000 0.982 514 E CA -2.270 54.201 56.400 0.118 0.000 0.842 514 E CB 0.863 30.645 29.700 0.137 0.000 1.144 514 E HN -0.178 nan 8.360 nan 0.000 0.397 515 P HA -0.000 nan 4.420 nan 0.000 0.264 515 P C -1.174 176.351 177.300 0.374 0.000 1.183 515 P CA -0.075 63.209 63.100 0.306 0.000 0.763 515 P CB 0.333 32.246 31.700 0.356 0.000 0.807 516 L N 2.947 124.314 121.223 0.241 0.000 2.410 516 L HA 0.747 5.060 4.340 -0.045 0.000 0.270 516 L C -1.154 175.585 176.870 -0.217 0.000 0.983 516 L CA -0.920 53.948 54.840 0.046 0.000 0.822 516 L CB 1.679 43.764 42.059 0.043 0.000 1.285 516 L HN 0.394 nan 8.230 nan 0.000 0.409 517 A N 6.202 128.665 122.820 -0.594 0.000 2.287 517 A HA 0.744 5.037 4.320 -0.045 0.000 0.317 517 A C -1.173 176.240 177.584 -0.286 0.000 1.220 517 A CA -0.480 51.154 52.037 -0.672 0.000 0.835 517 A CB 0.436 18.602 19.000 -1.389 0.000 1.180 517 A HN 0.718 nan 8.150 nan 0.000 0.500 518 L N 3.282 124.447 121.223 -0.097 0.000 2.295 518 L HA 0.598 4.911 4.340 -0.045 0.000 0.285 518 L C -0.653 176.242 176.870 0.042 0.000 1.035 518 L CA -0.258 54.562 54.840 -0.034 0.000 0.806 518 L CB 1.364 43.430 42.059 0.012 0.000 1.214 518 L HN 0.585 nan 8.230 nan 0.000 0.426 519 I N 2.118 122.699 120.570 0.019 0.000 2.533 519 I HA 0.417 4.560 4.170 -0.045 0.000 0.290 519 I C -1.071 175.108 176.117 0.103 0.000 1.056 519 I CA -0.503 60.849 61.300 0.087 0.000 1.057 519 I CB 2.180 40.211 38.000 0.052 0.000 1.240 519 I HN 0.574 nan 8.210 nan 0.000 0.423 520 H N 5.816 124.914 119.070 0.047 0.000 3.137 520 H HA 0.317 4.845 4.556 -0.046 0.000 0.336 520 H C -2.810 172.543 175.328 0.042 0.000 1.055 520 H CA -1.075 54.992 56.048 0.032 0.000 1.349 520 H CB 2.767 32.532 29.762 0.006 0.000 1.939 520 H HN 0.210 nan 8.280 nan 0.000 0.487 521 P HA 0.019 nan 4.420 nan 0.000 0.276 521 P C 0.199 177.603 177.300 0.173 0.000 1.230 521 P CA -0.255 62.903 63.100 0.096 0.000 0.776 521 P CB 1.157 32.875 31.700 0.030 0.000 0.888 522 Q N 2.696 122.565 119.800 0.116 0.000 2.167 522 Q HA -0.111 4.202 4.340 -0.045 0.000 0.202 522 Q C 0.402 176.448 176.000 0.078 0.000 0.970 522 Q CA 1.404 57.262 55.803 0.093 0.000 0.855 522 Q CB -0.469 28.302 28.738 0.054 0.000 0.911 522 Q HN 0.267 nan 8.270 nan 0.000 0.438 523 N N 1.264 120.006 118.700 0.070 0.000 2.279 523 N HA 0.061 4.774 4.740 -0.045 0.000 0.226 523 N C -0.937 174.606 175.510 0.054 0.000 1.126 523 N CA -0.007 53.071 53.050 0.047 0.000 0.846 523 N CB 0.285 38.790 38.487 0.030 0.000 1.050 523 N HN 0.281 nan 8.380 nan 0.000 0.502 524 D N 0.873 121.331 120.400 0.098 0.000 2.487 524 D HA -0.023 4.590 4.640 -0.045 0.000 0.243 524 D C 0.897 177.218 176.300 0.035 0.000 1.154 524 D CA 0.442 54.505 54.000 0.105 0.000 0.876 524 D CB 0.791 41.700 40.800 0.181 0.000 1.161 524 D HN 0.214 nan 8.370 nan 0.000 0.478 525 S N 3.250 118.926 115.700 -0.039 0.000 2.559 525 S HA 0.153 4.596 4.470 -0.045 0.000 0.226 525 S C 1.305 175.704 174.600 -0.335 0.000 1.000 525 S CA -0.420 57.704 58.200 -0.127 0.000 0.948 525 S CB 0.497 63.638 63.200 -0.098 0.000 0.870 525 S HN 0.443 nan 8.310 nan 0.000 0.497 526 R N 1.799 122.029 120.500 -0.450 0.000 2.074 526 R HA 0.124 4.437 4.340 -0.045 0.000 0.218 526 R C 0.319 176.364 176.300 -0.425 0.000 1.137 526 R CA 1.333 56.909 56.100 -0.873 0.000 0.998 526 R CB -0.564 29.165 30.300 -0.952 0.000 0.895 526 R HN 0.520 nan 8.270 nan 0.000 0.442 527 T N 1.356 115.803 114.554 -0.178 0.000 3.154 527 T HA 0.354 4.677 4.350 -0.045 0.000 0.381 527 T C -2.574 172.230 174.700 0.173 0.000 1.368 527 T CA -2.231 59.877 62.100 0.014 0.000 1.155 527 T CB 1.462 70.391 68.868 0.101 0.000 1.120 527 T HN -0.076 nan 8.240 nan 0.000 0.570 528 P HA 0.126 nan 4.420 nan 0.000 0.272 528 P C 0.834 178.128 177.300 -0.010 0.000 1.230 528 P CA -0.732 62.396 63.100 0.047 0.000 0.788 528 P CB 1.101 32.787 31.700 -0.023 0.000 0.949 529 L N 2.101 123.275 121.223 -0.081 0.000 2.156 529 L HA -0.045 4.268 4.340 -0.045 0.000 0.208 529 L C 2.499 179.227 176.870 -0.238 0.000 1.095 529 L CA 1.795 56.453 54.840 -0.304 0.000 0.770 529 L CB -1.081 40.896 42.059 -0.137 0.000 0.914 529 L HN 0.318 nan 8.230 nan 0.000 0.439 530 K N -0.166 120.157 120.400 -0.129 0.000 2.020 530 K HA -0.173 4.120 4.320 -0.045 0.000 0.212 530 K C -0.560 175.971 176.600 -0.114 0.000 1.050 530 K CA 2.173 58.401 56.287 -0.099 0.000 0.929 530 K CB -1.041 31.422 32.500 -0.061 0.000 0.714 530 K HN 0.308 nan 8.250 nan 0.000 0.443 531 P HA -0.131 nan 4.420 nan 0.000 0.218 531 P C 1.224 178.432 177.300 -0.153 0.000 1.149 531 P CA 0.827 63.858 63.100 -0.115 0.000 0.817 531 P CB 0.053 31.691 31.700 -0.103 0.000 0.785 532 L N -0.962 120.130 121.223 -0.219 0.000 2.083 532 L HA -0.114 4.199 4.340 -0.045 0.000 0.209 532 L C 2.206 178.955 176.870 -0.201 0.000 1.083 532 L CA 1.538 56.228 54.840 -0.250 0.000 0.752 532 L CB -1.004 40.796 42.059 -0.431 0.000 0.899 532 L HN -0.148 nan 8.230 nan 0.000 0.433 533 L N -0.976 120.144 121.223 -0.171 0.000 2.083 533 L HA -0.229 4.084 4.340 -0.045 0.000 0.209 533 L C 2.738 179.539 176.870 -0.115 0.000 1.083 533 L CA 1.448 56.216 54.840 -0.120 0.000 0.752 533 L CB -0.570 41.436 42.059 -0.089 0.000 0.899 533 L HN 0.267 nan 8.230 nan 0.000 0.433 534 R N 0.255 120.687 120.500 -0.114 0.000 2.075 534 R HA -0.189 4.124 4.340 -0.045 0.000 0.232 534 R C 2.323 178.544 176.300 -0.132 0.000 1.126 534 R CA 1.207 57.245 56.100 -0.103 0.000 0.963 534 R CB -0.236 30.012 30.300 -0.086 0.000 0.858 534 R HN 0.169 nan 8.270 nan 0.000 0.435 535 L N 0.788 121.915 121.223 -0.160 0.000 2.012 535 L HA -0.182 4.131 4.340 -0.045 0.000 0.210 535 L C 2.022 178.715 176.870 -0.296 0.000 1.073 535 L CA 1.903 56.622 54.840 -0.201 0.000 0.748 535 L CB -0.372 41.566 42.059 -0.202 0.000 0.891 535 L HN 0.275 nan 8.230 nan 0.000 0.431 536 M N -0.895 118.508 119.600 -0.329 0.000 2.149 536 M HA -0.155 4.298 4.480 -0.045 0.000 0.261 536 M C 2.176 178.302 176.300 -0.289 0.000 1.064 536 M CA 1.725 56.738 55.300 -0.478 0.000 1.102 536 M CB -1.149 31.315 32.600 -0.227 0.000 1.369 536 M HN 0.511 nan 8.290 nan 0.000 0.408 537 G N 0.141 108.847 108.800 -0.156 0.000 2.440 537 G HA2 -0.210 3.723 3.960 -0.045 0.000 0.218 537 G HA3 -0.210 3.723 3.960 -0.045 0.000 0.218 537 G C 1.448 176.290 174.900 -0.096 0.000 1.154 537 G CA 0.796 45.843 45.100 -0.088 0.000 0.767 537 G HN 0.377 nan 8.290 nan 0.000 0.552 538 E N 0.326 120.447 120.200 -0.131 0.000 2.107 538 E HA 0.007 4.330 4.350 -0.045 0.000 0.191 538 E C 2.738 179.267 176.600 -0.119 0.000 0.982 538 E CA 0.336 56.669 56.400 -0.111 0.000 0.809 538 E CB -0.284 29.347 29.700 -0.115 0.000 0.756 538 E HN 0.443 nan 8.360 nan 0.000 0.459 539 L N 0.520 121.613 121.223 -0.216 0.000 2.046 539 L HA -0.192 4.121 4.340 -0.045 0.000 0.208 539 L C 2.560 179.408 176.870 -0.036 0.000 1.077 539 L CA 0.582 55.292 54.840 -0.218 0.000 0.747 539 L CB -0.449 41.237 42.059 -0.622 0.000 0.896 539 L HN 0.149 nan 8.230 nan 0.000 0.432 540 L N 0.387 121.609 121.223 -0.001 0.000 1.976 540 L HA -0.135 4.178 4.340 -0.045 0.000 0.209 540 L C 2.632 179.535 176.870 0.055 0.000 1.071 540 L CA 2.179 57.094 54.840 0.125 0.000 0.746 540 L CB -0.933 41.201 42.059 0.125 0.000 0.890 540 L HN 0.128 nan 8.230 nan 0.000 0.432 541 A N -0.558 122.270 122.820 0.013 0.000 1.978 541 A HA -0.201 4.092 4.320 -0.045 0.000 0.220 541 A C 2.264 179.852 177.584 0.006 0.000 1.170 541 A CA 1.839 53.879 52.037 0.005 0.000 0.636 541 A CB -0.574 18.419 19.000 -0.012 0.000 0.810 541 A HN 0.567 nan 8.150 nan 0.000 0.448 542 R N -1.479 119.023 120.500 0.003 0.000 2.388 542 R HA 0.285 4.597 4.340 -0.045 0.000 0.247 542 R C 1.020 177.335 176.300 0.024 0.000 0.931 542 R CA 0.483 56.586 56.100 0.006 0.000 1.082 542 R CB 0.026 30.321 30.300 -0.009 0.000 1.135 542 R HN 0.606 nan 8.270 nan 0.000 0.525 543 G N 1.771 110.596 108.800 0.041 0.000 2.198 543 G HA2 -0.279 3.654 3.960 -0.045 0.000 0.260 543 G HA3 -0.279 3.654 3.960 -0.045 0.000 0.260 543 G C -0.274 174.670 174.900 0.073 0.000 1.025 543 G CA 0.084 45.217 45.100 0.054 0.000 0.769 543 G HN 0.066 nan 8.290 nan 0.000 0.507 544 K N 0.665 121.122 120.400 0.095 0.000 2.174 544 K HA 0.444 4.737 4.320 -0.045 0.000 0.275 544 K C 0.656 177.378 176.600 0.204 0.000 1.015 544 K CA -0.293 56.064 56.287 0.116 0.000 0.933 544 K CB 0.904 33.450 32.500 0.077 0.000 1.025 544 K HN 0.118 nan 8.250 nan 0.000 0.463 545 T N 4.198 118.853 114.554 0.168 0.000 2.834 545 T HA 0.334 4.657 4.350 -0.045 0.000 0.298 545 T C -0.056 174.814 174.700 0.284 0.000 0.966 545 T CA 0.135 62.338 62.100 0.172 0.000 1.141 545 T CB -0.491 68.458 68.868 0.133 0.000 0.905 545 T HN 0.476 nan 8.240 nan 0.000 0.535 546 F N 0.776 120.738 119.950 0.020 0.000 2.693 546 F HA 0.687 5.186 4.527 -0.046 0.000 0.309 546 F C -0.901 174.877 175.800 -0.035 0.000 1.129 546 F CA -1.314 56.677 58.000 -0.015 0.000 0.948 546 F CB 1.453 40.424 39.000 -0.049 0.000 1.315 546 F HN 0.552 nan 8.300 nan 0.000 0.447 547 E N 2.390 122.518 120.200 -0.120 0.000 2.320 547 E HA 0.903 5.226 4.350 -0.045 0.000 0.264 547 E C -1.723 174.830 176.600 -0.077 0.000 0.923 547 E CA -1.549 54.700 56.400 -0.253 0.000 0.796 547 E CB 2.465 32.091 29.700 -0.124 0.000 1.262 547 E HN 1.190 nan 8.360 nan 0.000 0.428 548 A N 1.738 124.395 122.820 -0.271 0.000 2.547 548 A HA 0.513 4.806 4.320 -0.045 0.000 0.297 548 A C -1.603 175.680 177.584 -0.502 0.000 1.056 548 A CA -0.767 51.178 52.037 -0.154 0.000 0.688 548 A CB 1.436 20.478 19.000 0.070 0.000 1.282 548 A HN 0.690 nan 8.150 nan 0.000 0.400 549 H N 2.081 121.168 119.070 0.028 0.000 3.013 549 H HA 0.407 4.936 4.556 -0.045 0.000 0.326 549 H C -1.288 174.071 175.328 0.052 0.000 0.973 549 H CA -0.232 55.835 56.048 0.032 0.000 1.369 549 H CB 1.395 31.172 29.762 0.024 0.000 1.598 549 H HN 0.535 nan 8.280 nan 0.000 0.518 550 I N 4.879 125.517 120.570 0.114 0.000 2.354 550 I HA 0.274 4.417 4.170 -0.045 0.000 0.292 550 I C 0.466 176.640 176.117 0.095 0.000 0.989 550 I CA -0.710 60.653 61.300 0.104 0.000 1.188 550 I CB 1.901 39.938 38.000 0.062 0.000 1.342 550 I HN 0.453 nan 8.210 nan 0.000 0.457 551 I N 7.906 128.532 120.570 0.095 0.000 2.412 551 I HA 0.601 4.743 4.170 -0.045 0.000 0.296 551 I C -2.500 173.651 176.117 0.056 0.000 0.987 551 I CA -2.223 59.119 61.300 0.070 0.000 1.180 551 I CB 2.113 40.149 38.000 0.061 0.000 1.340 551 I HN 0.278 nan 8.210 nan 0.000 0.455 552 P HA 0.199 nan 4.420 nan 0.000 0.282 552 P C -0.915 176.404 177.300 0.031 0.000 1.249 552 P CA 0.265 63.386 63.100 0.035 0.000 0.806 552 P CB 0.614 32.331 31.700 0.029 0.000 0.984 553 D N -1.105 119.312 120.400 0.029 0.000 2.701 553 D HA -0.162 4.451 4.640 -0.045 0.000 0.235 553 D C -0.053 176.264 176.300 0.029 0.000 1.155 553 D CA 1.572 55.587 54.000 0.025 0.000 0.649 553 D CB -1.420 39.392 40.800 0.020 0.000 1.050 553 D HN 0.624 nan 8.370 nan 0.000 0.425 554 A N -0.971 121.870 122.820 0.036 0.000 2.515 554 A HA 0.880 5.173 4.320 -0.045 0.000 0.296 554 A C 0.550 178.163 177.584 0.047 0.000 1.094 554 A CA 0.018 52.078 52.037 0.038 0.000 0.718 554 A CB 2.188 21.207 19.000 0.033 0.000 1.307 554 A HN 0.260 nan 8.150 nan 0.000 0.408 555 G N -1.274 107.556 108.800 0.051 0.000 3.262 555 G HA2 0.434 4.367 3.960 -0.045 0.000 0.229 555 G HA3 0.434 4.367 3.960 -0.045 0.000 0.229 555 G C 0.334 175.279 174.900 0.075 0.000 1.280 555 G CA 0.134 45.276 45.100 0.071 0.000 0.951 555 G HN 0.871 nan 8.290 nan 0.000 0.589 556 H N -0.443 118.635 119.070 0.014 0.000 2.389 556 H HA 0.320 4.849 4.556 -0.045 0.000 0.299 556 H C 1.660 177.015 175.328 0.045 0.000 1.081 556 H CA 1.428 57.485 56.048 0.016 0.000 1.345 556 H CB 0.037 29.809 29.762 0.017 0.000 1.393 556 H HN 0.477 nan 8.280 nan 0.000 0.520 557 A N 1.368 124.295 122.820 0.177 0.000 2.316 557 A HA 0.340 4.633 4.320 -0.045 0.000 0.311 557 A C -0.588 177.041 177.584 0.075 0.000 1.339 557 A CA -0.507 51.612 52.037 0.137 0.000 0.960 557 A CB -0.194 18.921 19.000 0.191 0.000 1.152 557 A HN 0.258 nan 8.150 nan 0.000 0.547 558 I N 3.868 124.452 120.570 0.023 0.000 2.352 558 I HA 0.145 4.288 4.170 -0.045 0.000 0.290 558 I C 0.537 176.664 176.117 0.016 0.000 1.036 558 I CA -0.088 61.211 61.300 -0.002 0.000 1.336 558 I CB 0.861 38.822 38.000 -0.066 0.000 1.407 558 I HN 0.851 nan 8.210 nan 0.000 0.497 559 N N 3.481 122.223 118.700 0.071 0.000 2.160 559 N HA 0.006 4.719 4.740 -0.045 0.000 0.226 559 N C -0.016 175.639 175.510 0.242 0.000 1.256 559 N CA -0.250 52.888 53.050 0.146 0.000 0.890 559 N CB 0.728 39.285 38.487 0.115 0.000 1.116 559 N HN 0.570 nan 8.380 nan 0.000 0.517 560 T N -3.469 111.215 114.554 0.217 0.000 2.916 560 T HA 0.375 4.698 4.350 -0.045 0.000 0.292 560 T C 1.137 176.029 174.700 0.319 0.000 1.055 560 T CA -0.811 61.445 62.100 0.261 0.000 1.009 560 T CB 2.151 71.080 68.868 0.100 0.000 1.118 560 T HN -0.000 nan 8.240 nan 0.000 0.497 561 M N 0.898 120.735 119.600 0.395 0.000 2.086 561 M HA -0.064 4.389 4.480 -0.045 0.000 0.261 561 M C 2.269 178.629 176.300 0.099 0.000 1.067 561 M CA 2.281 57.785 55.300 0.339 0.000 1.116 561 M CB -0.476 32.270 32.600 0.243 0.000 1.348 561 M HN 0.938 nan 8.290 nan 0.000 0.407 562 E N 0.028 120.267 120.200 0.065 0.000 2.070 562 E HA -0.294 4.029 4.350 -0.045 0.000 0.197 562 E C 1.348 177.948 176.600 0.000 0.000 1.004 562 E CA 2.145 58.556 56.400 0.019 0.000 0.805 562 E CB -0.194 29.517 29.700 0.017 0.000 0.744 562 E HN 0.588 nan 8.360 nan 0.000 0.451 563 D N -0.096 120.311 120.400 0.012 0.000 2.149 563 D HA -0.062 4.551 4.640 -0.045 0.000 0.201 563 D C 1.805 178.075 176.300 -0.049 0.000 0.972 563 D CA 1.337 55.333 54.000 -0.007 0.000 0.835 563 D CB -0.306 40.500 40.800 0.010 0.000 0.966 563 D HN 0.334 nan 8.370 nan 0.000 0.476 564 A N 0.426 123.198 122.820 -0.080 0.000 1.930 564 A HA -0.109 4.184 4.320 -0.045 0.000 0.217 564 A C 2.446 179.922 177.584 -0.180 0.000 1.175 564 A CA 0.971 52.902 52.037 -0.176 0.000 0.627 564 A CB -0.599 18.240 19.000 -0.268 0.000 0.815 564 A HN 0.138 nan 8.150 nan 0.000 0.443 565 V N 0.116 119.956 119.914 -0.124 0.000 2.343 565 V HA -0.268 3.825 4.120 -0.045 0.000 0.247 565 V C 2.371 178.387 176.094 -0.130 0.000 1.051 565 V CA 2.376 64.597 62.300 -0.131 0.000 1.036 565 V CB -0.652 31.116 31.823 -0.091 0.000 0.654 565 V HN 0.557 nan 8.190 nan 0.000 0.451 566 K N -0.424 119.926 120.400 -0.084 0.000 2.211 566 K HA -0.035 4.258 4.320 -0.045 0.000 0.203 566 K C 1.938 178.508 176.600 -0.050 0.000 1.050 566 K CA 0.976 57.227 56.287 -0.060 0.000 0.945 566 K CB -0.099 32.391 32.500 -0.015 0.000 0.732 566 K HN 0.309 nan 8.250 nan 0.000 0.451 567 I N 0.319 120.860 120.570 -0.049 0.000 2.480 567 I HA -0.130 4.012 4.170 -0.045 0.000 0.251 567 I C 2.000 178.141 176.117 0.040 0.000 1.124 567 I CA 0.962 62.272 61.300 0.016 0.000 1.444 567 I CB -0.358 37.625 38.000 -0.028 0.000 1.098 567 I HN 0.155 nan 8.210 nan 0.000 0.428 568 L N -0.084 121.080 121.223 -0.097 0.000 2.316 568 L HA 0.067 4.380 4.340 -0.045 0.000 0.207 568 L C 2.047 178.833 176.870 -0.140 0.000 1.070 568 L CA 1.153 55.929 54.840 -0.106 0.000 0.820 568 L CB -0.557 41.311 42.059 -0.319 0.000 0.992 568 L HN 0.014 nan 8.230 nan 0.000 0.466 569 L N 0.726 121.804 121.223 -0.243 0.000 2.017 569 L HA -0.029 4.284 4.340 -0.045 0.000 0.208 569 L C -0.600 175.967 176.870 -0.505 0.000 1.073 569 L CA 2.000 56.578 54.840 -0.437 0.000 0.745 569 L CB -1.617 40.126 42.059 -0.525 0.000 0.894 569 L HN 0.156 nan 8.230 nan 0.000 0.432 570 P HA -0.169 nan 4.420 nan 0.000 0.216 570 P C 1.514 178.746 177.300 -0.113 0.000 1.150 570 P CA 1.951 64.829 63.100 -0.369 0.000 0.837 570 P CB -0.185 31.093 31.700 -0.703 0.000 0.786 571 A N -0.642 122.144 122.820 -0.057 0.000 1.877 571 A HA -0.158 4.135 4.320 -0.045 0.000 0.216 571 A C 2.308 179.931 177.584 0.066 0.000 1.186 571 A CA 1.978 54.046 52.037 0.052 0.000 0.620 571 A CB -1.677 17.390 19.000 0.112 0.000 0.822 571 A HN 0.044 nan 8.150 nan 0.000 0.443 572 V N -0.914 119.004 119.914 0.006 0.000 2.358 572 V HA -0.183 3.910 4.120 -0.045 0.000 0.246 572 V C 2.345 178.565 176.094 0.210 0.000 1.047 572 V CA 1.607 63.927 62.300 0.033 0.000 1.035 572 V CB -1.041 30.795 31.823 0.022 0.000 0.658 572 V HN 0.489 nan 8.190 nan 0.000 0.452 573 F N 0.022 119.999 119.950 0.045 0.000 2.126 573 F HA -0.182 4.316 4.527 -0.048 0.000 0.299 573 F C 2.300 178.148 175.800 0.080 0.000 1.096 573 F CA 1.358 59.397 58.000 0.065 0.000 1.255 573 F CB -1.254 37.779 39.000 0.055 0.000 0.997 573 F HN 0.258 nan 8.300 nan 0.000 0.479 574 F N 0.468 120.511 119.950 0.155 0.000 2.134 574 F HA -0.163 4.346 4.527 -0.031 0.000 0.299 574 F C 2.061 177.848 175.800 -0.022 0.000 1.097 574 F CA 1.482 59.520 58.000 0.064 0.000 1.264 574 F CB -0.637 38.387 39.000 0.039 0.000 1.001 574 F HN -0.127 nan 8.300 nan 0.000 0.479 575 L N -0.062 121.043 121.223 -0.198 0.000 2.093 575 L HA -0.115 4.198 4.340 -0.045 0.000 0.208 575 L C 2.806 179.580 176.870 -0.160 0.000 1.085 575 L CA 1.055 55.587 54.840 -0.514 0.000 0.755 575 L CB -1.196 40.378 42.059 -0.808 0.000 0.904 575 L HN 0.231 nan 8.230 nan 0.000 0.435 576 A N -0.461 122.414 122.820 0.091 0.000 1.933 576 A HA -0.191 4.102 4.320 -0.045 0.000 0.218 576 A C 2.374 179.956 177.584 -0.004 0.000 1.175 576 A CA 2.304 54.428 52.037 0.146 0.000 0.628 576 A CB -0.850 18.250 19.000 0.167 0.000 0.814 576 A HN 0.369 nan 8.150 nan 0.000 0.444 577 T N -0.279 114.242 114.554 -0.054 0.000 2.777 577 T HA -0.120 4.202 4.350 -0.045 0.000 0.266 577 T C 2.078 176.711 174.700 -0.113 0.000 1.040 577 T CA 1.398 63.448 62.100 -0.083 0.000 1.141 577 T CB -0.207 68.622 68.868 -0.065 0.000 0.868 577 T HN 0.413 nan 8.240 nan 0.000 0.444 578 Q N 0.748 120.416 119.800 -0.219 0.000 2.170 578 Q HA -0.032 4.281 4.340 -0.045 0.000 0.203 578 Q C 2.386 178.410 176.000 0.040 0.000 0.976 578 Q CA 0.997 56.708 55.803 -0.153 0.000 0.858 578 Q CB -0.303 28.260 28.738 -0.290 0.000 0.907 578 Q HN 0.444 nan 8.270 nan 0.000 0.433 579 R N 1.045 121.572 120.500 0.046 0.000 2.189 579 R HA -0.081 4.232 4.340 -0.045 0.000 0.218 579 R C 1.364 177.674 176.300 0.018 0.000 1.074 579 R CA 0.771 56.932 56.100 0.103 0.000 0.991 579 R CB 0.182 30.513 30.300 0.052 0.000 0.883 579 R HN 0.287 nan 8.270 nan 0.000 0.457 580 E N 0.164 120.352 120.200 -0.019 0.000 2.204 580 E HA -0.044 4.278 4.350 -0.045 0.000 0.194 580 E C 0.089 176.680 176.600 -0.016 0.000 0.989 580 E CA 0.587 56.967 56.400 -0.033 0.000 0.824 580 E CB 0.227 29.898 29.700 -0.049 0.000 0.756 580 E HN 0.183 nan 8.360 nan 0.000 0.477 581 R N 0.000 120.499 120.500 -0.001 0.000 2.786 581 R HA 0.000 4.313 4.340 -0.045 0.000 0.208 581 R CA 0.000 56.105 56.100 0.009 0.000 0.921 581 R CB 0.000 30.301 30.300 0.001 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535