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 2vmk_1_B DATA FIRST_RESID 1 DATA SEQUENCE MKRMLINATX XXXLRVALVD GQRLYDLDIX XXXHEQKKAN IYKGKITRIE DATA SEQUENCE PSLEAAFVDY GAERHGFLPL KEIAREYFPA XXXXXXRPNI KDVLREGQEV DATA SEQUENCE IVQIDKEERG NKGAALTTFI SLAGSYLVLM PNNPRAGGIS RRIEGDDRTE DATA SEQUENCE LKEALASLEL PEGMGLIVRT AGVGKSAEAL QWDLSFRLKH WEAIKKAAES DATA SEQUENCE RPAPFLIHQE SNVIVRAFRD YLRQDIGEIL IDNPKVLELA RQHIAALGRP DATA SEQUENCE DFSSKIKLYT GEIPLFSHYQ IESQIESAFQ REVRLPSGGS IVIDSTEALT DATA SEQUENCE AIDINSARXX XXGDIEETAF NTNLEAADEI ARQLRLRDLG GLIVIDFIDM DATA SEQUENCE TPVRHQRAVE NRLREAVRQD RARIQISHIS RFGLLEMSRQ RLSPSLGESS DATA SEQUENCE HHVCPRCSGT GTVRDNESLS LSILRLIEEE ALKENTQEVH AIVPVPIASY DATA SEQUENCE LLNEKRSAVN AIETRQDGVR CVIVPNDQME TPHYHVLRVR KGEETPTLSY DATA SEQUENCE MLPKLHEEAM ALP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.323 176.300 0.038 0.000 1.140 1 M CA 0.000 55.317 55.300 0.029 0.000 0.988 1 M CB 0.000 32.630 32.600 0.049 0.000 1.302 2 K N 3.878 124.299 120.400 0.034 0.000 2.183 2 K HA 0.648 4.954 4.320 -0.024 0.000 0.274 2 K C -0.969 175.667 176.600 0.059 0.000 1.009 2 K CA -0.548 55.782 56.287 0.071 0.000 0.888 2 K CB 1.898 34.442 32.500 0.074 0.000 1.078 2 K HN 0.748 nan 8.250 nan 0.000 0.459 3 R N 1.472 121.994 120.500 0.037 0.000 2.807 3 R HA 0.436 4.762 4.340 -0.024 0.000 0.276 3 R C -0.484 175.782 176.300 -0.058 0.000 0.979 3 R CA -0.774 55.308 56.100 -0.031 0.000 0.928 3 R CB 2.225 32.445 30.300 -0.134 0.000 1.191 3 R HN 0.474 nan 8.270 nan 0.000 0.471 4 M N 4.317 123.896 119.600 -0.035 0.000 2.036 4 M HA 0.337 4.802 4.480 -0.024 0.000 0.337 4 M C -1.461 174.817 176.300 -0.037 0.000 1.012 4 M CA -0.554 54.725 55.300 -0.036 0.000 0.962 4 M CB 0.527 33.168 32.600 0.069 0.000 1.423 4 M HN 0.444 nan 8.290 nan 0.000 0.405 5 L N 6.097 127.259 121.223 -0.103 0.000 2.331 5 L HA 0.428 4.753 4.340 -0.024 0.000 0.278 5 L C -0.533 176.416 176.870 0.131 0.000 1.106 5 L CA -0.197 54.636 54.840 -0.013 0.000 0.824 5 L CB 0.787 42.805 42.059 -0.067 0.000 1.142 5 L HN 0.679 nan 8.230 nan 0.000 0.443 6 I N 3.690 124.322 120.570 0.103 0.000 2.466 6 I HA 0.180 4.336 4.170 -0.024 0.000 0.279 6 I C -0.111 175.991 176.117 -0.025 0.000 1.033 6 I CA -0.214 61.114 61.300 0.047 0.000 1.123 6 I CB 1.234 39.243 38.000 0.017 0.000 1.237 6 I HN 0.646 nan 8.210 nan 0.000 0.460 7 N N 5.332 123.933 118.700 -0.166 0.000 2.411 7 N HA 0.414 5.140 4.740 -0.024 0.000 0.259 7 N C 0.102 175.501 175.510 -0.185 0.000 1.103 7 N CA 0.067 52.942 53.050 -0.292 0.000 0.954 7 N CB 1.236 39.282 38.487 -0.734 0.000 1.085 7 N HN 0.752 nan 8.380 nan 0.000 0.485 8 A N 2.685 125.439 122.820 -0.109 0.000 2.568 8 A HA 0.149 4.455 4.320 -0.024 0.000 0.287 8 A C 0.460 178.011 177.584 -0.055 0.000 0.967 8 A CA -0.487 51.505 52.037 -0.075 0.000 1.004 8 A CB -0.238 18.733 19.000 -0.049 0.000 1.233 8 A HN 0.700 nan 8.150 nan 0.000 0.513 15 R N 3.909 124.358 120.500 -0.084 0.000 2.562 15 R HA 0.911 5.236 4.340 -0.024 0.000 0.298 15 R C -1.395 174.923 176.300 0.030 0.000 0.961 15 R CA -1.002 55.080 56.100 -0.030 0.000 0.881 15 R CB 2.597 32.865 30.300 -0.053 0.000 1.159 15 R HN 0.343 nan 8.270 nan 0.000 0.450 16 V N 1.949 121.879 119.914 0.026 0.000 2.443 16 V HA 0.604 4.710 4.120 -0.024 0.000 0.293 16 V C -0.646 175.370 176.094 -0.130 0.000 1.021 16 V CA -0.732 61.536 62.300 -0.054 0.000 0.848 16 V CB 1.676 33.355 31.823 -0.240 0.000 0.998 16 V HN 0.932 nan 8.190 nan 0.000 0.424 17 A N 5.873 128.625 122.820 -0.114 0.000 2.343 17 A HA 0.872 5.178 4.320 -0.024 0.000 0.316 17 A C -0.915 176.451 177.584 -0.362 0.000 1.104 17 A CA -0.561 51.272 52.037 -0.340 0.000 0.768 17 A CB 1.076 19.697 19.000 -0.633 0.000 1.213 17 A HN 0.799 nan 8.150 nan 0.000 0.456 18 L N 2.798 123.754 121.223 -0.445 0.000 2.265 18 L HA 0.464 4.790 4.340 -0.024 0.000 0.288 18 L C -0.807 175.751 176.870 -0.520 0.000 1.058 18 L CA -0.597 53.935 54.840 -0.514 0.000 0.809 18 L CB 1.360 42.954 42.059 -0.774 0.000 1.179 18 L HN 0.432 nan 8.230 nan 0.000 0.429 19 V N 2.461 122.271 119.914 -0.173 0.000 2.376 19 V HA 0.233 4.339 4.120 -0.024 0.000 0.287 19 V C -0.308 175.912 176.094 0.209 0.000 1.015 19 V CA -0.707 61.590 62.300 -0.006 0.000 0.834 19 V CB 1.719 33.426 31.823 -0.194 0.000 1.001 19 V HN 0.647 nan 8.190 nan 0.000 0.428 20 D N 3.883 124.490 120.400 0.345 0.000 2.210 20 D HA 0.319 4.945 4.640 -0.024 0.000 0.249 20 D C 1.098 177.439 176.300 0.069 0.000 1.078 20 D CA -0.015 54.044 54.000 0.099 0.000 0.875 20 D CB 2.406 43.126 40.800 -0.133 0.000 1.175 20 D HN 0.544 nan 8.370 nan 0.000 0.440 21 G N 2.162 110.994 108.800 0.053 0.000 2.985 21 G HA2 -0.113 3.833 3.960 -0.024 0.000 0.209 21 G HA3 -0.113 3.833 3.960 -0.024 0.000 0.209 21 G C 0.885 175.876 174.900 0.153 0.000 1.165 21 G CA 0.094 45.251 45.100 0.096 0.000 0.776 21 G HN 0.566 nan 8.290 nan 0.000 0.541 22 Q N -0.277 119.583 119.800 0.099 0.000 2.055 22 Q HA 0.161 4.487 4.340 -0.024 0.000 0.226 22 Q C 0.240 176.276 176.000 0.059 0.000 0.805 22 Q CA -0.458 55.412 55.803 0.111 0.000 1.072 22 Q CB 0.614 29.362 28.738 0.016 0.000 1.219 22 Q HN 0.399 nan 8.270 nan 0.000 0.451 23 R N 0.867 121.400 120.500 0.056 0.000 2.540 23 R HA 0.431 4.756 4.340 -0.024 0.000 0.287 23 R C -1.278 175.062 176.300 0.066 0.000 0.980 23 R CA -0.592 55.535 56.100 0.044 0.000 0.966 23 R CB 1.113 31.434 30.300 0.036 0.000 1.106 23 R HN 0.159 nan 8.270 nan 0.000 0.480 24 L N 5.617 126.851 121.223 0.019 0.000 2.277 24 L HA 0.283 4.609 4.340 -0.024 0.000 0.284 24 L C -0.771 176.103 176.870 0.007 0.000 1.028 24 L CA -0.273 54.540 54.840 -0.046 0.000 0.835 24 L CB 0.910 42.884 42.059 -0.140 0.000 1.215 24 L HN 0.830 nan 8.230 nan 0.000 0.425 25 Y N 1.030 121.286 120.300 -0.073 0.000 2.481 25 Y HA 0.593 5.128 4.550 -0.026 0.000 0.247 25 Y C -0.287 175.604 175.900 -0.015 0.000 1.151 25 Y CA -0.743 57.333 58.100 -0.040 0.000 1.238 25 Y CB 0.441 38.883 38.460 -0.029 0.000 1.179 25 Y HN 0.514 nan 8.280 nan 0.000 0.524 26 D N 0.734 120.936 120.400 -0.331 0.000 2.745 26 D HA 0.358 4.984 4.640 -0.024 0.000 0.221 26 D C -2.320 173.842 176.300 -0.229 0.000 1.237 26 D CA -0.320 53.561 54.000 -0.198 0.000 0.781 26 D CB 2.540 43.252 40.800 -0.148 0.000 1.575 26 D HN 0.166 nan 8.370 nan 0.000 0.482 27 L N 2.280 123.424 121.223 -0.131 0.000 2.422 27 L HA 0.634 4.959 4.340 -0.024 0.000 0.264 27 L C -1.741 175.051 176.870 -0.131 0.000 0.984 27 L CA -0.328 54.414 54.840 -0.165 0.000 0.819 27 L CB 2.039 44.029 42.059 -0.114 0.000 1.330 27 L HN 0.260 nan 8.230 nan 0.000 0.410 28 D N 3.890 124.177 120.400 -0.188 0.000 2.896 28 D HA 0.558 5.183 4.640 -0.024 0.000 0.241 28 D C -1.043 175.225 176.300 -0.054 0.000 1.188 28 D CA -0.064 53.866 54.000 -0.117 0.000 0.879 28 D CB 1.898 42.552 40.800 -0.243 0.000 1.553 28 D HN 0.494 nan 8.370 nan 0.000 0.515 35 E N 2.343 122.483 120.200 -0.100 0.000 2.070 35 E HA 0.396 4.732 4.350 -0.024 0.000 0.282 35 E C 0.054 176.570 176.600 -0.141 0.000 1.104 35 E CA -0.637 55.668 56.400 -0.159 0.000 0.876 35 E CB 0.852 30.521 29.700 -0.052 0.000 1.055 35 E HN 0.627 nan 8.360 nan 0.000 0.401 36 Q N 1.438 121.069 119.800 -0.281 0.000 2.256 36 Q HA 0.572 4.898 4.340 -0.024 0.000 0.254 36 Q C 0.594 176.597 176.000 0.005 0.000 0.916 36 Q CA 0.644 56.389 55.803 -0.096 0.000 0.932 36 Q CB 1.584 30.240 28.738 -0.137 0.000 1.207 36 Q HN 0.478 nan 8.270 nan 0.000 0.426 37 K N 3.335 123.779 120.400 0.073 0.000 2.504 37 K HA 0.211 4.517 4.320 -0.024 0.000 0.203 37 K C 0.394 177.051 176.600 0.095 0.000 1.350 37 K CA 0.201 56.548 56.287 0.100 0.000 0.953 37 K CB -0.107 32.483 32.500 0.149 0.000 1.243 37 K HN 0.581 nan 8.250 nan 0.000 0.534 38 K N 0.658 121.110 120.400 0.087 0.000 2.543 38 K HA 0.180 4.486 4.320 -0.024 0.000 0.279 38 K C 0.506 177.144 176.600 0.064 0.000 1.001 38 K CA 0.836 57.165 56.287 0.070 0.000 1.088 38 K CB 0.125 32.662 32.500 0.062 0.000 0.863 38 K HN 1.000 nan 8.250 nan 0.000 0.488 39 A N 2.504 125.361 122.820 0.062 0.000 2.887 39 A HA -0.182 4.124 4.320 -0.024 0.000 0.257 39 A C -0.258 177.369 177.584 0.072 0.000 1.372 39 A CA 0.806 52.884 52.037 0.068 0.000 0.879 39 A CB -1.727 17.312 19.000 0.065 0.000 1.082 39 A HN 0.806 nan 8.150 nan 0.000 0.703 40 N N -0.491 118.232 118.700 0.038 0.000 2.513 40 N HA 0.665 5.391 4.740 -0.024 0.000 0.274 40 N C -0.123 175.334 175.510 -0.088 0.000 1.189 40 N CA 0.125 53.130 53.050 -0.076 0.000 0.975 40 N CB 0.660 39.061 38.487 -0.143 0.000 1.157 40 N HN 0.511 nan 8.380 nan 0.000 0.465 41 I N 1.979 122.440 120.570 -0.183 0.000 2.406 41 I HA 0.323 4.478 4.170 -0.024 0.000 0.290 41 I C -0.927 174.991 176.117 -0.331 0.000 0.999 41 I CA -0.659 60.587 61.300 -0.090 0.000 1.124 41 I CB 0.815 38.883 38.000 0.113 0.000 1.289 41 I HN 0.319 nan 8.210 nan 0.000 0.441 42 Y N 3.774 124.056 120.300 -0.030 0.000 2.524 42 Y HA 0.450 4.985 4.550 -0.024 0.000 0.344 42 Y C -0.019 175.752 175.900 -0.216 0.000 1.012 42 Y CA -1.099 56.925 58.100 -0.125 0.000 1.068 42 Y CB 1.553 40.002 38.460 -0.020 0.000 1.249 42 Y HN 0.383 nan 8.280 nan 0.000 0.468 43 K N 1.047 121.242 120.400 -0.342 0.000 2.276 43 K HA 0.640 4.946 4.320 -0.024 0.000 0.283 43 K C -0.318 176.216 176.600 -0.110 0.000 1.044 43 K CA -0.198 55.913 56.287 -0.293 0.000 0.944 43 K CB 0.427 32.608 32.500 -0.531 0.000 1.012 43 K HN 0.925 nan 8.250 nan 0.000 0.472 44 G N 1.390 110.181 108.800 -0.014 0.000 2.571 44 G HA2 0.573 4.519 3.960 -0.024 0.000 0.304 44 G HA3 0.573 4.519 3.960 -0.024 0.000 0.304 44 G C -1.442 173.476 174.900 0.031 0.000 1.314 44 G CA -0.789 44.335 45.100 0.041 0.000 0.975 44 G HN 0.695 nan 8.290 nan 0.000 0.485 45 K N 1.309 121.744 120.400 0.057 0.000 2.156 45 K HA 0.699 5.005 4.320 -0.024 0.000 0.271 45 K C 0.092 176.710 176.600 0.029 0.000 0.995 45 K CA -0.783 55.528 56.287 0.041 0.000 0.890 45 K CB 1.025 33.558 32.500 0.056 0.000 1.073 45 K HN 0.570 nan 8.250 nan 0.000 0.454 46 I N 3.372 123.941 120.570 -0.003 0.000 2.494 46 I HA -0.011 4.144 4.170 -0.024 0.000 0.289 46 I C 1.374 177.482 176.117 -0.014 0.000 1.106 46 I CA -0.176 61.115 61.300 -0.015 0.000 1.369 46 I CB 0.828 38.806 38.000 -0.038 0.000 1.410 46 I HN 0.879 nan 8.210 nan 0.000 0.523 47 T N 6.079 120.614 114.554 -0.031 0.000 2.698 47 T HA -0.040 4.296 4.350 -0.024 0.000 0.260 47 T C 0.654 175.307 174.700 -0.079 0.000 1.044 47 T CA 0.996 63.026 62.100 -0.118 0.000 1.149 47 T CB 0.041 68.667 68.868 -0.404 0.000 0.864 47 T HN 0.695 nan 8.240 nan 0.000 0.419 48 R N -0.411 120.081 120.500 -0.014 0.000 2.663 48 R HA 0.563 4.889 4.340 -0.024 0.000 0.267 48 R C -2.082 174.281 176.300 0.104 0.000 1.038 48 R CA -0.767 55.344 56.100 0.018 0.000 0.886 48 R CB 0.699 30.977 30.300 -0.037 0.000 1.249 48 R HN 0.127 nan 8.270 nan 0.000 0.463 49 I N 1.497 122.105 120.570 0.064 0.000 2.437 49 I HA 0.301 4.456 4.170 -0.024 0.000 0.298 49 I C -0.151 176.015 176.117 0.081 0.000 0.984 49 I CA -0.714 60.619 61.300 0.055 0.000 1.214 49 I CB 1.916 39.927 38.000 0.017 0.000 1.365 49 I HN 0.489 nan 8.210 nan 0.000 0.469 50 E N 7.426 127.675 120.200 0.081 0.000 2.331 50 E HA 0.227 4.562 4.350 -0.024 0.000 0.243 50 E C -2.030 174.602 176.600 0.054 0.000 0.925 50 E CA -1.536 54.922 56.400 0.097 0.000 0.760 50 E CB 1.728 31.541 29.700 0.188 0.000 1.254 50 E HN 0.342 nan 8.360 nan 0.000 0.419 51 P HA -0.093 nan 4.420 nan 0.000 0.226 51 P C 1.361 178.683 177.300 0.036 0.000 1.153 51 P CA 0.718 63.834 63.100 0.026 0.000 0.777 51 P CB 0.563 32.274 31.700 0.019 0.000 0.794 52 S N -0.301 115.430 115.700 0.052 0.000 2.387 52 S HA 0.007 4.462 4.470 -0.024 0.000 0.226 52 S C 1.625 176.268 174.600 0.072 0.000 1.026 52 S CA 0.594 58.828 58.200 0.057 0.000 0.972 52 S CB -0.683 62.555 63.200 0.064 0.000 0.814 52 S HN 0.063 nan 8.310 nan 0.000 0.477 53 L N 1.262 122.541 121.223 0.094 0.000 2.667 53 L HA 0.410 4.735 4.340 -0.024 0.000 0.232 53 L C 1.012 177.930 176.870 0.080 0.000 1.138 53 L CA 0.523 55.436 54.840 0.122 0.000 0.921 53 L CB -0.918 41.271 42.059 0.215 0.000 1.180 53 L HN 0.442 nan 8.230 nan 0.000 0.487 54 E N 0.389 120.612 120.200 0.039 0.000 2.199 54 E HA -0.021 4.315 4.350 -0.024 0.000 0.208 54 E C 0.218 176.784 176.600 -0.057 0.000 1.310 54 E CA 0.769 57.174 56.400 0.009 0.000 0.709 54 E CB -2.045 27.671 29.700 0.028 0.000 1.127 54 E HN 0.674 nan 8.360 nan 0.000 0.354 55 A N -1.622 121.124 122.820 -0.123 0.000 2.588 55 A HA 1.116 5.422 4.320 -0.024 0.000 0.290 55 A C -0.073 177.313 177.584 -0.331 0.000 1.136 55 A CA 0.158 51.980 52.037 -0.358 0.000 0.681 55 A CB 1.086 19.671 19.000 -0.693 0.000 1.282 55 A HN 1.993 nan 8.150 nan 0.000 0.421 56 A N -0.506 122.016 122.820 -0.496 0.000 2.527 56 A HA 0.874 5.180 4.320 -0.024 0.000 0.293 56 A C -1.590 175.702 177.584 -0.487 0.000 1.117 56 A CA -0.466 51.384 52.037 -0.312 0.000 0.723 56 A CB 0.839 19.734 19.000 -0.175 0.000 1.313 56 A HN 0.922 nan 8.150 nan 0.000 0.411 57 F N 0.253 120.131 119.950 -0.119 0.000 2.469 57 F HA 0.591 5.104 4.527 -0.024 0.000 0.332 57 F C 0.005 175.771 175.800 -0.057 0.000 1.103 57 F CA -0.415 57.551 58.000 -0.057 0.000 0.979 57 F CB 2.345 41.313 39.000 -0.053 0.000 1.137 57 F HN 0.277 nan 8.300 nan 0.000 0.463 58 V N 1.832 121.856 119.914 0.184 0.000 2.540 58 V HA 0.256 4.362 4.120 -0.024 0.000 0.302 58 V C -0.866 175.440 176.094 0.353 0.000 1.035 58 V CA -0.900 61.498 62.300 0.163 0.000 0.873 58 V CB 1.827 33.686 31.823 0.060 0.000 0.992 58 V HN 0.558 nan 8.190 nan 0.000 0.428 59 D N 3.268 123.855 120.400 0.311 0.000 2.393 59 D HA 0.178 4.804 4.640 -0.024 0.000 0.232 59 D C 0.333 176.727 176.300 0.156 0.000 1.192 59 D CA -0.268 53.911 54.000 0.298 0.000 0.882 59 D CB 0.593 41.549 40.800 0.259 0.000 1.038 59 D HN 0.668 nan 8.370 nan 0.000 0.499 60 Y N 2.115 122.364 120.300 -0.085 0.000 2.532 60 Y HA 0.479 5.014 4.550 -0.024 0.000 0.283 60 Y C 1.378 177.151 175.900 -0.212 0.000 1.181 60 Y CA -0.171 57.795 58.100 -0.223 0.000 1.256 60 Y CB 0.438 38.573 38.460 -0.541 0.000 1.112 60 Y HN 0.372 nan 8.280 nan 0.000 0.521 61 G N 0.577 109.182 108.800 -0.325 0.000 2.604 61 G HA2 -0.223 3.723 3.960 -0.024 0.000 0.205 61 G HA3 -0.223 3.723 3.960 -0.024 0.000 0.205 61 G C 0.698 175.340 174.900 -0.430 0.000 1.186 61 G CA -0.342 44.595 45.100 -0.272 0.000 0.753 61 G HN 0.891 nan 8.290 nan 0.000 0.526 62 A N 0.871 123.208 122.820 -0.804 0.000 2.536 62 A HA 0.511 4.817 4.320 -0.024 0.000 0.234 62 A C 1.604 178.925 177.584 -0.439 0.000 1.076 62 A CA 1.921 53.609 52.037 -0.582 0.000 0.769 62 A CB -0.206 18.377 19.000 -0.694 0.000 1.020 62 A HN 1.947 nan 8.150 nan 0.000 0.508 63 E N -0.169 119.865 120.200 -0.276 0.000 2.265 63 E HA 0.155 4.491 4.350 -0.024 0.000 0.196 63 E C 1.127 177.563 176.600 -0.273 0.000 0.996 63 E CA 2.000 58.264 56.400 -0.227 0.000 0.832 63 E CB -0.750 28.871 29.700 -0.133 0.000 0.756 63 E HN 1.351 nan 8.360 nan 0.000 0.491 64 R N 0.171 120.509 120.500 -0.270 0.000 2.637 64 R HA 0.616 4.942 4.340 -0.024 0.000 0.291 64 R C -0.596 175.576 176.300 -0.214 0.000 0.963 64 R CA -0.500 55.480 56.100 -0.200 0.000 0.901 64 R CB 0.061 30.340 30.300 -0.035 0.000 1.160 64 R HN 0.619 nan 8.270 nan 0.000 0.457 65 H N 0.132 119.258 119.070 0.094 0.000 2.652 65 H HA 0.456 4.998 4.556 -0.024 0.000 0.349 65 H C 1.325 176.883 175.328 0.384 0.000 1.099 65 H CA 0.950 57.130 56.048 0.220 0.000 1.417 65 H CB 1.698 31.614 29.762 0.256 0.000 1.457 65 H HN 0.990 nan 8.280 nan 0.000 0.568 66 G N 1.380 110.523 108.800 0.571 0.000 2.634 66 G HA2 0.217 4.162 3.960 -0.024 0.000 0.255 66 G HA3 0.217 4.162 3.960 -0.024 0.000 0.255 66 G C -1.134 173.893 174.900 0.212 0.000 1.205 66 G CA -0.393 44.906 45.100 0.332 0.000 0.884 66 G HN 0.523 nan 8.290 nan 0.000 0.549 67 F N 0.815 120.706 119.950 -0.099 0.000 2.445 67 F HA 0.552 5.065 4.527 -0.024 0.000 0.348 67 F C -0.806 174.853 175.800 -0.234 0.000 1.125 67 F CA -1.178 56.638 58.000 -0.308 0.000 0.983 67 F CB 1.766 40.614 39.000 -0.252 0.000 1.198 67 F HN 0.284 nan 8.300 nan 0.000 0.436 68 L N 9.995 130.775 121.223 -0.738 0.000 2.313 68 L HA 0.595 4.920 4.340 -0.024 0.000 0.273 68 L C -2.422 174.050 176.870 -0.664 0.000 1.028 68 L CA -2.283 52.243 54.840 -0.523 0.000 0.871 68 L CB 0.587 42.438 42.059 -0.346 0.000 1.242 68 L HN 0.327 nan 8.230 nan 0.000 0.434 69 P HA 0.006 nan 4.420 nan 0.000 0.274 69 P C 0.781 177.982 177.300 -0.165 0.000 1.237 69 P CA -0.428 62.457 63.100 -0.358 0.000 0.793 69 P CB 1.138 32.789 31.700 -0.082 0.000 0.977 70 L N 2.308 123.485 121.223 -0.076 0.000 2.083 70 L HA -0.171 4.155 4.340 -0.024 0.000 0.209 70 L C 2.536 179.452 176.870 0.077 0.000 1.083 70 L CA 2.928 57.782 54.840 0.024 0.000 0.752 70 L CB -1.617 40.485 42.059 0.071 0.000 0.899 70 L HN 0.400 nan 8.230 nan 0.000 0.433 71 K N -0.749 119.699 120.400 0.080 0.000 2.515 71 K HA -0.047 4.259 4.320 -0.024 0.000 0.196 71 K C 1.587 178.319 176.600 0.219 0.000 1.038 71 K CA 1.547 57.917 56.287 0.137 0.000 0.967 71 K CB -0.598 31.965 32.500 0.105 0.000 0.780 71 K HN 0.572 nan 8.250 nan 0.000 0.483 72 E N -0.752 119.514 120.200 0.110 0.000 2.498 72 E HA 0.227 4.562 4.350 -0.024 0.000 0.203 72 E C -0.372 176.034 176.600 -0.324 0.000 1.013 72 E CA -0.173 56.279 56.400 0.086 0.000 0.927 72 E CB 0.161 29.871 29.700 0.016 0.000 1.012 72 E HN 0.642 nan 8.360 nan 0.000 0.482 73 I N 1.524 121.900 120.570 -0.323 0.000 2.371 73 I HA 0.208 4.364 4.170 -0.024 0.000 0.290 73 I C 0.530 176.184 176.117 -0.771 0.000 1.028 73 I CA -0.598 60.388 61.300 -0.523 0.000 1.345 73 I CB 1.293 39.049 38.000 -0.407 0.000 1.407 73 I HN -0.159 nan 8.210 nan 0.000 0.501 74 A N 4.865 127.257 122.820 -0.712 0.000 2.351 74 A HA 0.558 4.864 4.320 -0.024 0.000 0.257 74 A C 1.615 178.896 177.584 -0.504 0.000 1.087 74 A CA 0.048 51.719 52.037 -0.611 0.000 0.798 74 A CB 0.411 19.120 19.000 -0.485 0.000 1.033 74 A HN 0.909 nan 8.150 nan 0.000 0.488 75 R N 0.424 120.773 120.500 -0.252 0.000 2.170 75 R HA -0.046 4.280 4.340 -0.024 0.000 0.242 75 R C 1.977 178.207 176.300 -0.115 0.000 1.145 75 R CA 2.666 58.709 56.100 -0.095 0.000 0.984 75 R CB -2.011 28.326 30.300 0.063 0.000 0.869 75 R HN 1.272 nan 8.270 nan 0.000 0.455 76 E N -0.266 119.772 120.200 -0.271 0.000 2.273 76 E HA -0.179 4.157 4.350 -0.024 0.000 0.198 76 E C 1.428 177.743 176.600 -0.476 0.000 1.002 76 E CA 1.412 57.572 56.400 -0.400 0.000 0.828 76 E CB -0.672 28.676 29.700 -0.587 0.000 0.747 76 E HN 0.937 nan 8.360 nan 0.000 0.491 77 Y N -1.827 118.397 120.300 -0.126 0.000 2.607 77 Y HA 0.473 5.009 4.550 -0.024 0.000 0.266 77 Y C 0.261 176.299 175.900 0.230 0.000 1.178 77 Y CA -0.851 57.224 58.100 -0.040 0.000 1.226 77 Y CB -0.040 38.331 38.460 -0.150 0.000 1.144 77 Y HN 0.227 nan 8.280 nan 0.000 0.528 78 F N 0.942 120.932 119.950 0.066 0.000 2.618 78 F HA 0.442 4.955 4.527 -0.023 0.000 0.332 78 F C -1.544 174.272 175.800 0.027 0.000 1.061 78 F CA -2.008 56.022 58.000 0.050 0.000 0.974 78 F CB 2.505 41.533 39.000 0.047 0.000 1.310 78 F HN -0.161 nan 8.300 nan 0.000 0.491 79 P HA 0.332 nan 4.420 nan 0.000 0.185 79 P C -0.937 176.393 177.300 0.050 0.000 0.952 79 P CA 0.380 63.528 63.100 0.079 0.000 0.996 79 P CB 0.833 32.552 31.700 0.033 0.000 0.763 88 P HA 0.684 nan 4.420 nan 0.000 0.285 88 P C -0.082 177.178 177.300 -0.068 0.000 1.269 88 P CA -0.331 62.707 63.100 -0.104 0.000 0.844 88 P CB 1.187 32.749 31.700 -0.230 0.000 1.094 89 N N 0.658 119.323 118.700 -0.059 0.000 2.514 89 N HA 0.098 4.824 4.740 -0.024 0.000 0.277 89 N C 0.953 176.438 175.510 -0.041 0.000 1.126 89 N CA -0.378 52.651 53.050 -0.035 0.000 0.978 89 N CB 0.222 38.695 38.487 -0.024 0.000 1.106 89 N HN 0.699 nan 8.380 nan 0.000 0.461 90 I N 0.761 121.321 120.570 -0.016 0.000 2.657 90 I HA -0.136 4.020 4.170 -0.024 0.000 0.261 90 I C 2.692 178.805 176.117 -0.008 0.000 1.212 90 I CA 2.090 63.388 61.300 -0.004 0.000 1.453 90 I CB -0.146 37.853 38.000 -0.003 0.000 1.092 90 I HN 0.723 nan 8.210 nan 0.000 0.452 91 K N -0.151 120.242 120.400 -0.012 0.000 2.283 91 K HA -0.152 4.154 4.320 -0.024 0.000 0.202 91 K C 1.538 178.129 176.600 -0.016 0.000 1.048 91 K CA 1.822 58.104 56.287 -0.008 0.000 0.948 91 K CB -0.850 31.647 32.500 -0.005 0.000 0.742 91 K HN 0.522 nan 8.250 nan 0.000 0.458 92 D N -0.376 120.004 120.400 -0.035 0.000 2.333 92 D HA 0.024 4.650 4.640 -0.024 0.000 0.208 92 D C 1.644 177.912 176.300 -0.053 0.000 0.984 92 D CA 0.763 54.734 54.000 -0.048 0.000 0.873 92 D CB 0.595 41.352 40.800 -0.072 0.000 0.935 92 D HN 0.255 nan 8.370 nan 0.000 0.521 93 V N 0.406 120.294 119.914 -0.043 0.000 2.436 93 V HA 0.068 4.174 4.120 -0.024 0.000 0.240 93 V C 1.112 177.256 176.094 0.084 0.000 1.040 93 V CA 0.648 62.952 62.300 0.006 0.000 1.052 93 V CB 0.227 32.091 31.823 0.069 0.000 0.707 93 V HN 0.027 nan 8.190 nan 0.000 0.469 94 L N 0.313 121.569 121.223 0.056 0.000 2.331 94 L HA 0.719 5.044 4.340 -0.024 0.000 0.275 94 L C 0.306 177.186 176.870 0.018 0.000 1.022 94 L CA -0.403 54.458 54.840 0.036 0.000 0.812 94 L CB 1.120 43.180 42.059 0.001 0.000 1.257 94 L HN 0.220 nan 8.230 nan 0.000 0.435 95 R N 1.132 121.642 120.500 0.017 0.000 2.486 95 R HA 0.663 4.988 4.340 -0.024 0.000 0.286 95 R C 0.037 176.338 176.300 0.002 0.000 0.999 95 R CA -0.099 56.008 56.100 0.011 0.000 0.993 95 R CB 0.161 30.471 30.300 0.018 0.000 1.084 95 R HN 0.752 nan 8.270 nan 0.000 0.487 96 E N 0.037 120.238 120.200 0.001 0.000 2.415 96 E HA 0.426 4.762 4.350 -0.024 0.000 0.263 96 E C 1.322 177.923 176.600 0.001 0.000 0.995 96 E CA 0.204 56.603 56.400 -0.003 0.000 0.915 96 E CB 0.100 29.798 29.700 -0.004 0.000 0.951 96 E HN 2.361 nan 8.360 nan 0.000 0.449 97 G N 1.392 110.192 108.800 -0.001 0.000 2.136 97 G HA2 -0.284 3.662 3.960 -0.024 0.000 0.242 97 G HA3 -0.284 3.662 3.960 -0.024 0.000 0.242 97 G C 0.438 175.346 174.900 0.014 0.000 0.989 97 G CA 0.466 45.571 45.100 0.009 0.000 0.682 97 G HN 1.008 nan 8.290 nan 0.000 0.522 98 Q N 0.665 120.467 119.800 0.004 0.000 2.286 98 Q HA 0.436 4.762 4.340 -0.024 0.000 0.257 98 Q C 0.402 176.400 176.000 -0.005 0.000 0.941 98 Q CA -0.336 55.471 55.803 0.006 0.000 0.912 98 Q CB 0.442 29.180 28.738 -0.000 0.000 1.192 98 Q HN 0.621 nan 8.270 nan 0.000 0.410 99 E N 1.715 121.927 120.200 0.020 0.000 2.373 99 E HA 0.424 4.760 4.350 -0.024 0.000 0.263 99 E C -0.986 175.612 176.600 -0.003 0.000 1.073 99 E CA -0.583 55.831 56.400 0.024 0.000 0.894 99 E CB 1.512 31.249 29.700 0.062 0.000 1.008 99 E HN 0.308 nan 8.360 nan 0.000 0.420 100 V N 1.024 120.922 119.914 -0.027 0.000 2.882 100 V HA 0.280 4.386 4.120 -0.024 0.000 0.295 100 V C -0.275 175.802 176.094 -0.029 0.000 1.273 100 V CA -0.738 61.506 62.300 -0.095 0.000 0.949 100 V CB 1.650 33.276 31.823 -0.329 0.000 1.071 100 V HN 0.707 nan 8.190 nan 0.000 0.432 101 I N 4.166 124.779 120.570 0.072 0.000 2.396 101 I HA 0.816 4.971 4.170 -0.024 0.000 0.289 101 I C -0.205 175.956 176.117 0.074 0.000 1.056 101 I CA -0.018 61.337 61.300 0.091 0.000 1.365 101 I CB 0.899 39.007 38.000 0.179 0.000 1.407 101 I HN 0.465 nan 8.210 nan 0.000 0.509 102 V N 5.740 125.687 119.914 0.054 0.000 2.638 102 V HA 0.558 4.664 4.120 -0.024 0.000 0.306 102 V C -0.209 175.930 176.094 0.076 0.000 1.052 102 V CA -0.697 61.617 62.300 0.024 0.000 0.885 102 V CB 1.618 33.425 31.823 -0.027 0.000 0.999 102 V HN 1.020 nan 8.190 nan 0.000 0.424 103 Q N 3.232 123.060 119.800 0.046 0.000 2.345 103 Q HA 0.642 4.968 4.340 -0.024 0.000 0.268 103 Q C -1.154 174.860 176.000 0.023 0.000 1.054 103 Q CA -0.783 55.058 55.803 0.063 0.000 0.835 103 Q CB 2.078 30.855 28.738 0.065 0.000 1.339 103 Q HN 0.734 nan 8.270 nan 0.000 0.447 104 I N 3.399 123.994 120.570 0.041 0.000 2.379 104 I HA 0.127 4.283 4.170 -0.024 0.000 0.290 104 I C 0.984 177.116 176.117 0.025 0.000 1.063 104 I CA 0.623 61.925 61.300 0.004 0.000 1.351 104 I CB 1.083 39.102 38.000 0.033 0.000 1.410 104 I HN 0.978 nan 8.210 nan 0.000 0.505 105 D N 5.209 125.620 120.400 0.018 0.000 2.162 105 D HA 0.135 4.761 4.640 -0.024 0.000 0.205 105 D C 1.018 177.337 176.300 0.031 0.000 0.964 105 D CA 1.406 55.424 54.000 0.031 0.000 0.847 105 D CB 0.164 40.986 40.800 0.038 0.000 0.988 105 D HN 0.560 nan 8.370 nan 0.000 0.480 106 K N 0.900 121.318 120.400 0.030 0.000 2.535 106 K HA 0.528 4.834 4.320 -0.024 0.000 0.250 106 K C -0.278 176.345 176.600 0.038 0.000 0.948 106 K CA -0.627 55.679 56.287 0.032 0.000 0.796 106 K CB 1.124 33.641 32.500 0.028 0.000 1.216 106 K HN 0.332 nan 8.250 nan 0.000 0.432 107 E N 1.189 121.416 120.200 0.045 0.000 2.461 107 E HA 0.188 4.524 4.350 -0.024 0.000 0.263 107 E C 0.551 177.184 176.600 0.054 0.000 1.143 107 E CA 0.761 57.196 56.400 0.058 0.000 0.994 107 E CB 0.419 30.155 29.700 0.060 0.000 0.973 107 E HN 0.838 nan 8.360 nan 0.000 0.457 108 E N 2.175 122.415 120.200 0.067 0.000 2.299 108 E HA 0.093 4.429 4.350 -0.024 0.000 0.272 108 E C 0.020 176.645 176.600 0.041 0.000 1.043 108 E CA 0.087 56.524 56.400 0.062 0.000 0.895 108 E CB 0.325 30.070 29.700 0.074 0.000 1.011 108 E HN 0.304 nan 8.360 nan 0.000 0.432 109 R N 2.007 122.524 120.500 0.029 0.000 2.439 109 R HA 0.548 4.874 4.340 -0.024 0.000 0.310 109 R C 1.111 177.418 176.300 0.011 0.000 0.955 109 R CA 0.606 56.716 56.100 0.017 0.000 0.853 109 R CB 1.218 31.523 30.300 0.008 0.000 1.171 109 R HN 1.089 nan 8.270 nan 0.000 0.449 110 G N 3.700 112.506 108.800 0.011 0.000 2.646 110 G HA2 -0.454 3.492 3.960 -0.024 0.000 0.324 110 G HA3 -0.454 3.492 3.960 -0.024 0.000 0.324 110 G C 0.589 175.496 174.900 0.012 0.000 1.195 110 G CA 0.758 45.863 45.100 0.008 0.000 0.976 110 G HN 0.614 nan 8.290 nan 0.000 0.546 111 N N 1.783 120.489 118.700 0.009 0.000 2.305 111 N HA 0.280 5.005 4.740 -0.024 0.000 0.179 111 N C 1.613 177.142 175.510 0.031 0.000 1.019 111 N CA 1.817 54.876 53.050 0.016 0.000 0.869 111 N CB -0.494 37.999 38.487 0.011 0.000 1.000 111 N HN 1.108 nan 8.380 nan 0.000 0.431 112 K N 1.471 121.883 120.400 0.019 0.000 2.527 112 K HA 0.342 4.647 4.320 -0.024 0.000 0.278 112 K C 1.018 177.663 176.600 0.076 0.000 0.981 112 K CA 0.426 56.731 56.287 0.031 0.000 1.009 112 K CB -0.821 31.657 32.500 -0.038 0.000 0.895 112 K HN 0.286 nan 8.250 nan 0.000 0.493 113 G N -0.308 108.581 108.800 0.148 0.000 2.479 113 G HA2 0.491 4.437 3.960 -0.024 0.000 0.275 113 G HA3 0.491 4.437 3.960 -0.024 0.000 0.275 113 G C 0.315 175.306 174.900 0.151 0.000 1.421 113 G CA 0.142 45.354 45.100 0.186 0.000 1.059 113 G HN 1.511 nan 8.290 nan 0.000 0.535 114 A N -1.083 121.842 122.820 0.175 0.000 2.301 114 A HA 0.697 5.003 4.320 -0.024 0.000 0.312 114 A C 0.555 178.183 177.584 0.072 0.000 1.182 114 A CA 0.177 52.269 52.037 0.091 0.000 0.826 114 A CB 0.672 19.700 19.000 0.047 0.000 1.134 114 A HN 1.710 nan 8.150 nan 0.000 0.501 115 A N 2.659 125.518 122.820 0.066 0.000 2.491 115 A HA 0.524 4.830 4.320 -0.024 0.000 0.261 115 A C -0.113 177.484 177.584 0.021 0.000 1.101 115 A CA 0.259 52.352 52.037 0.093 0.000 0.772 115 A CB -0.466 18.583 19.000 0.083 0.000 1.043 115 A HN 0.799 nan 8.150 nan 0.000 0.501 116 L N 1.999 123.220 121.223 -0.004 0.000 2.342 116 L HA 0.745 5.071 4.340 -0.024 0.000 0.271 116 L C 0.337 177.174 176.870 -0.055 0.000 1.008 116 L CA -0.550 54.248 54.840 -0.070 0.000 0.818 116 L CB 2.431 44.407 42.059 -0.139 0.000 1.296 116 L HN 0.740 nan 8.230 nan 0.000 0.427 117 T N -1.858 112.671 114.554 -0.041 0.000 2.912 117 T HA 0.273 4.609 4.350 -0.024 0.000 0.299 117 T C 0.703 175.361 174.700 -0.070 0.000 1.052 117 T CA 0.057 62.137 62.100 -0.032 0.000 0.996 117 T CB 1.665 70.577 68.868 0.073 0.000 1.070 117 T HN 0.802 nan 8.240 nan 0.000 0.465 118 T N 1.278 115.721 114.554 -0.184 0.000 3.043 118 T HA 0.176 4.512 4.350 -0.024 0.000 0.263 118 T C 0.647 175.258 174.700 -0.148 0.000 1.094 118 T CA 0.257 62.254 62.100 -0.172 0.000 1.127 118 T CB -0.574 68.172 68.868 -0.203 0.000 0.905 118 T HN 0.472 nan 8.240 nan 0.000 0.490 119 F N 2.557 122.504 119.950 -0.006 0.000 2.604 119 F HA 0.371 4.884 4.527 -0.024 0.000 0.337 119 F C 0.586 176.348 175.800 -0.063 0.000 1.294 119 F CA -1.633 56.339 58.000 -0.047 0.000 1.066 119 F CB -1.140 37.827 39.000 -0.056 0.000 1.391 119 F HN 0.143 nan 8.300 nan 0.000 0.652 120 I N 2.230 122.824 120.570 0.040 0.000 2.696 120 I HA 0.130 4.286 4.170 -0.024 0.000 0.284 120 I C 0.406 176.474 176.117 -0.080 0.000 1.129 120 I CA 0.036 61.326 61.300 -0.016 0.000 1.410 120 I CB 0.794 38.777 38.000 -0.029 0.000 1.399 120 I HN 0.487 nan 8.210 nan 0.000 0.579 121 S N 6.810 122.477 115.700 -0.055 0.000 2.557 121 S HA 0.656 5.112 4.470 -0.024 0.000 0.291 121 S C -0.917 173.633 174.600 -0.084 0.000 1.116 121 S CA -0.934 57.216 58.200 -0.083 0.000 0.992 121 S CB 1.248 64.419 63.200 -0.048 0.000 1.028 121 S HN 0.450 nan 8.310 nan 0.000 0.484 122 L N 3.043 124.190 121.223 -0.126 0.000 2.295 122 L HA 0.686 5.012 4.340 -0.024 0.000 0.281 122 L C 0.344 177.145 176.870 -0.115 0.000 1.018 122 L CA -0.761 53.987 54.840 -0.153 0.000 0.841 122 L CB 1.325 43.255 42.059 -0.214 0.000 1.218 122 L HN 0.932 nan 8.230 nan 0.000 0.424 123 A N 2.653 125.422 122.820 -0.084 0.000 2.328 123 A HA 0.717 5.022 4.320 -0.024 0.000 0.284 123 A C 0.526 178.071 177.584 -0.064 0.000 1.160 123 A CA 0.108 52.110 52.037 -0.059 0.000 0.818 123 A CB 0.858 19.835 19.000 -0.037 0.000 1.087 123 A HN 0.766 nan 8.150 nan 0.000 0.504 124 G N 0.315 109.081 108.800 -0.057 0.000 2.945 124 G HA2 0.403 4.349 3.960 -0.024 0.000 0.156 124 G HA3 0.403 4.349 3.960 -0.024 0.000 0.156 124 G C 0.979 175.797 174.900 -0.137 0.000 1.375 124 G CA 0.592 45.654 45.100 -0.064 0.000 1.039 124 G HN 0.603 nan 8.290 nan 0.000 0.586 125 S N -1.081 114.468 115.700 -0.253 0.000 2.421 125 S HA 0.073 4.528 4.470 -0.024 0.000 0.224 125 S C 1.655 175.875 174.600 -0.634 0.000 1.035 125 S CA 0.977 58.831 58.200 -0.577 0.000 0.953 125 S CB -0.190 62.417 63.200 -0.989 0.000 0.810 125 S HN 0.499 nan 8.310 nan 0.000 0.497 126 Y N 0.071 120.391 120.300 0.034 0.000 2.430 126 Y HA 0.525 5.060 4.550 -0.025 0.000 0.254 126 Y C 0.336 176.247 175.900 0.018 0.000 1.088 126 Y CA -0.470 57.645 58.100 0.026 0.000 1.267 126 Y CB 0.360 38.847 38.460 0.045 0.000 1.204 126 Y HN 0.012 nan 8.280 nan 0.000 0.515 127 L N 0.464 121.757 121.223 0.117 0.000 2.354 127 L HA 0.672 4.997 4.340 -0.024 0.000 0.269 127 L C -1.093 175.783 176.870 0.010 0.000 1.005 127 L CA -1.170 53.712 54.840 0.071 0.000 0.819 127 L CB 2.708 44.818 42.059 0.084 0.000 1.311 127 L HN -0.376 nan 8.230 nan 0.000 0.423 128 V N 3.523 123.432 119.914 -0.009 0.000 2.326 128 V HA 0.259 4.364 4.120 -0.024 0.000 0.281 128 V C -0.223 175.836 176.094 -0.059 0.000 1.015 128 V CA -0.505 61.771 62.300 -0.039 0.000 0.823 128 V CB 1.607 33.407 31.823 -0.039 0.000 1.009 128 V HN 0.417 nan 8.190 nan 0.000 0.436 129 L N 6.898 128.072 121.223 -0.081 0.000 2.360 129 L HA 0.436 4.762 4.340 -0.024 0.000 0.276 129 L C 0.260 177.029 176.870 -0.169 0.000 1.121 129 L CA 0.523 55.293 54.840 -0.117 0.000 0.845 129 L CB 0.892 42.876 42.059 -0.126 0.000 1.143 129 L HN 0.540 nan 8.230 nan 0.000 0.452 130 M N 7.631 127.128 119.600 -0.171 0.000 3.145 130 M HA 0.291 4.757 4.480 -0.024 0.000 0.254 130 M C -1.839 174.297 176.300 -0.273 0.000 1.264 130 M CA -1.797 53.388 55.300 -0.192 0.000 1.293 130 M CB 0.286 32.810 32.600 -0.126 0.000 1.170 130 M HN 0.340 nan 8.290 nan 0.000 0.572 131 P HA -0.069 nan 4.420 nan 0.000 0.228 131 P C 1.083 178.098 177.300 -0.475 0.000 1.151 131 P CA 1.223 63.926 63.100 -0.662 0.000 0.770 131 P CB 0.226 30.944 31.700 -1.637 0.000 0.786 132 N N -0.163 118.326 118.700 -0.352 0.000 2.387 132 N HA -0.022 4.704 4.740 -0.024 0.000 0.176 132 N C 0.104 175.624 175.510 0.017 0.000 1.022 132 N CA 0.399 53.367 53.050 -0.138 0.000 0.883 132 N CB -0.051 38.400 38.487 -0.060 0.000 1.019 132 N HN 0.150 nan 8.380 nan 0.000 0.435 133 N N -0.410 118.304 118.700 0.024 0.000 2.352 133 N HA 0.266 4.992 4.740 -0.024 0.000 0.291 133 N C -2.691 172.781 175.510 -0.063 0.000 1.040 133 N CA -1.303 51.757 53.050 0.017 0.000 0.864 133 N CB 2.684 41.168 38.487 -0.005 0.000 1.440 133 N HN -0.101 nan 8.380 nan 0.000 0.483 134 P HA 0.035 nan 4.420 nan 0.000 0.245 134 P C 1.149 178.410 177.300 -0.065 0.000 1.206 134 P CA 0.684 63.751 63.100 -0.055 0.000 0.781 134 P CB 0.173 31.852 31.700 -0.035 0.000 0.994 135 R N 0.564 121.013 120.500 -0.085 0.000 2.316 135 R HA 0.369 4.695 4.340 -0.024 0.000 0.202 135 R C 1.561 177.799 176.300 -0.103 0.000 1.029 135 R CA 1.195 57.241 56.100 -0.090 0.000 1.018 135 R CB -1.211 29.024 30.300 -0.107 0.000 0.888 135 R HN 0.345 nan 8.270 nan 0.000 0.471 136 A N 0.194 122.944 122.820 -0.116 0.000 3.105 136 A HA 0.663 4.968 4.320 -0.024 0.000 0.336 136 A C 0.358 177.892 177.584 -0.083 0.000 1.042 136 A CA -0.040 51.930 52.037 -0.111 0.000 0.851 136 A CB 0.027 18.935 19.000 -0.154 0.000 1.068 136 A HN 0.820 nan 8.150 nan 0.000 0.477 137 G N -0.741 108.021 108.800 -0.063 0.000 2.672 137 G HA2 0.898 4.844 3.960 -0.024 0.000 0.292 137 G HA3 0.898 4.844 3.960 -0.024 0.000 0.292 137 G C -0.195 174.683 174.900 -0.036 0.000 1.375 137 G CA -0.217 44.854 45.100 -0.049 0.000 0.890 137 G HN 1.758 nan 8.290 nan 0.000 0.476 138 G N -1.274 107.511 108.800 -0.027 0.000 2.369 138 G HA2 0.355 4.301 3.960 -0.024 0.000 0.295 138 G HA3 0.355 4.301 3.960 -0.024 0.000 0.295 138 G C -1.250 173.643 174.900 -0.013 0.000 1.298 138 G CA -0.738 44.351 45.100 -0.019 0.000 0.940 138 G HN 0.811 nan 8.290 nan 0.000 0.536 139 I N 1.499 122.063 120.570 -0.009 0.000 2.396 139 I HA 0.461 4.616 4.170 -0.024 0.000 0.292 139 I C 1.268 177.381 176.117 -0.006 0.000 0.999 139 I CA -0.476 60.822 61.300 -0.004 0.000 1.310 139 I CB 1.755 39.754 38.000 -0.002 0.000 1.404 139 I HN 0.729 nan 8.210 nan 0.000 0.496 140 S N 4.921 120.618 115.700 -0.003 0.000 2.614 140 S HA 0.288 4.743 4.470 -0.024 0.000 0.265 140 S C 0.921 175.518 174.600 -0.005 0.000 1.303 140 S CA -0.577 57.619 58.200 -0.006 0.000 1.000 140 S CB 1.230 64.427 63.200 -0.005 0.000 0.935 140 S HN 0.560 nan 8.310 nan 0.000 0.551 141 R N 0.756 121.252 120.500 -0.007 0.000 2.237 141 R HA 0.116 4.441 4.340 -0.024 0.000 0.219 141 R C 2.717 179.015 176.300 -0.004 0.000 1.080 141 R CA 1.435 57.532 56.100 -0.006 0.000 0.995 141 R CB -1.402 28.893 30.300 -0.008 0.000 0.875 141 R HN 0.799 nan 8.270 nan 0.000 0.462 142 R N 0.928 121.426 120.500 -0.003 0.000 2.189 142 R HA 0.100 4.426 4.340 -0.024 0.000 0.223 142 R C 0.913 177.213 176.300 -0.001 0.000 1.092 142 R CA 1.072 57.171 56.100 -0.002 0.000 0.989 142 R CB -0.887 29.412 30.300 -0.001 0.000 0.876 142 R HN 0.182 nan 8.270 nan 0.000 0.457 143 I N 2.003 122.573 120.570 0.000 0.000 2.337 143 I HA 0.320 4.476 4.170 -0.024 0.000 0.291 143 I C 0.942 177.059 176.117 -0.001 0.000 1.046 143 I CA -0.448 60.853 61.300 0.001 0.000 1.324 143 I CB 1.246 39.248 38.000 0.003 0.000 1.409 143 I HN 0.619 nan 8.210 nan 0.000 0.494 144 E N 4.361 124.560 120.200 -0.002 0.000 2.409 144 E HA 0.232 4.567 4.350 -0.024 0.000 0.257 144 E C 1.306 177.905 176.600 -0.001 0.000 1.150 144 E CA 0.194 56.593 56.400 -0.002 0.000 0.942 144 E CB 0.362 30.059 29.700 -0.004 0.000 0.979 144 E HN 0.854 nan 8.360 nan 0.000 0.447 145 G N 0.126 108.926 108.800 0.000 0.000 2.408 145 G HA2 -0.207 3.739 3.960 -0.024 0.000 0.217 145 G HA3 -0.207 3.739 3.960 -0.024 0.000 0.217 145 G C 1.198 176.098 174.900 0.001 0.000 1.150 145 G CA 1.441 46.541 45.100 0.001 0.000 0.776 145 G HN 0.770 nan 8.290 nan 0.000 0.542 146 D N 1.088 121.489 120.400 0.003 0.000 2.183 146 D HA -0.080 4.546 4.640 -0.024 0.000 0.203 146 D C 1.483 177.784 176.300 0.001 0.000 0.969 146 D CA 1.127 55.129 54.000 0.004 0.000 0.842 146 D CB -0.541 40.264 40.800 0.008 0.000 0.957 146 D HN 0.235 nan 8.370 nan 0.000 0.484 147 D N 0.999 121.399 120.400 -0.000 0.000 2.084 147 D HA -0.166 4.460 4.640 -0.024 0.000 0.196 147 D C 2.233 178.531 176.300 -0.003 0.000 0.985 147 D CA 1.329 55.328 54.000 -0.002 0.000 0.826 147 D CB -0.362 40.437 40.800 -0.002 0.000 0.978 147 D HN 0.428 nan 8.370 nan 0.000 0.456 148 R N 1.174 121.672 120.500 -0.002 0.000 2.152 148 R HA -0.112 4.214 4.340 -0.024 0.000 0.232 148 R C 2.284 178.582 176.300 -0.003 0.000 1.117 148 R CA 2.209 58.307 56.100 -0.002 0.000 0.981 148 R CB -1.031 29.268 30.300 -0.002 0.000 0.870 148 R HN 0.166 nan 8.270 nan 0.000 0.451 149 T N -0.437 114.115 114.554 -0.003 0.000 2.653 149 T HA -0.271 4.064 4.350 -0.024 0.000 0.268 149 T C 2.131 176.829 174.700 -0.004 0.000 1.035 149 T CA 2.748 64.846 62.100 -0.003 0.000 1.154 149 T CB -0.800 68.067 68.868 -0.002 0.000 0.862 149 T HN 0.638 nan 8.240 nan 0.000 0.441 150 E N 0.255 120.452 120.200 -0.006 0.000 2.230 150 E HA 0.470 4.806 4.350 -0.024 0.000 0.192 150 E C 2.556 179.151 176.600 -0.009 0.000 0.987 150 E CA 1.214 57.609 56.400 -0.008 0.000 0.841 150 E CB -1.265 28.429 29.700 -0.011 0.000 0.783 150 E HN 0.965 nan 8.360 nan 0.000 0.481 151 L N 0.593 121.811 121.223 -0.009 0.000 2.141 151 L HA 0.243 4.569 4.340 -0.024 0.000 0.209 151 L C 2.979 179.846 176.870 -0.004 0.000 1.094 151 L CA 2.814 57.649 54.840 -0.008 0.000 0.763 151 L CB -2.012 40.044 42.059 -0.005 0.000 0.908 151 L HN 0.663 nan 8.230 nan 0.000 0.437 152 K N 0.137 120.535 120.400 -0.004 0.000 2.283 152 K HA 0.086 4.392 4.320 -0.024 0.000 0.202 152 K C 2.153 178.751 176.600 -0.003 0.000 1.048 152 K CA 2.060 58.345 56.287 -0.004 0.000 0.948 152 K CB -1.234 31.264 32.500 -0.004 0.000 0.742 152 K HN 0.939 nan 8.250 nan 0.000 0.458 153 E N 0.038 120.235 120.200 -0.004 0.000 2.140 153 E HA 0.414 4.750 4.350 -0.024 0.000 0.191 153 E C 2.409 179.007 176.600 -0.003 0.000 0.973 153 E CA 1.061 57.459 56.400 -0.003 0.000 0.829 153 E CB -0.618 29.080 29.700 -0.004 0.000 0.781 153 E HN 0.743 nan 8.360 nan 0.000 0.466 154 A N 0.527 123.345 122.820 -0.004 0.000 1.929 154 A HA 0.307 4.612 4.320 -0.024 0.000 0.216 154 A C 2.764 180.349 177.584 0.002 0.000 1.176 154 A CA 2.375 54.410 52.037 -0.003 0.000 0.628 154 A CB -0.827 18.167 19.000 -0.010 0.000 0.816 154 A HN 1.179 nan 8.150 nan 0.000 0.444 155 L N -1.124 120.100 121.223 0.002 0.000 2.093 155 L HA 0.285 4.611 4.340 -0.024 0.000 0.208 155 L C 2.838 179.710 176.870 0.003 0.000 1.085 155 L CA 2.394 57.237 54.840 0.005 0.000 0.755 155 L CB -2.115 39.946 42.059 0.003 0.000 0.904 155 L HN 0.645 nan 8.230 nan 0.000 0.435 156 A N 0.005 122.826 122.820 0.001 0.000 2.121 156 A HA -0.043 4.263 4.320 -0.024 0.000 0.218 156 A C 2.634 180.220 177.584 0.002 0.000 1.154 156 A CA 1.826 53.863 52.037 0.000 0.000 0.679 156 A CB -0.661 18.339 19.000 -0.001 0.000 0.795 156 A HN 1.186 nan 8.150 nan 0.000 0.458 157 S N -1.070 114.633 115.700 0.005 0.000 2.524 157 S HA 0.305 4.761 4.470 -0.024 0.000 0.216 157 S C 0.509 175.116 174.600 0.011 0.000 0.987 157 S CA -0.365 57.840 58.200 0.007 0.000 0.909 157 S CB -0.428 62.776 63.200 0.007 0.000 0.781 157 S HN 0.350 nan 8.310 nan 0.000 0.521 158 L N 2.124 123.355 121.223 0.013 0.000 2.397 158 L HA 0.488 4.814 4.340 -0.024 0.000 0.271 158 L C 0.841 177.718 176.870 0.012 0.000 1.148 158 L CA -0.047 54.803 54.840 0.018 0.000 0.825 158 L CB 0.527 42.599 42.059 0.022 0.000 1.117 158 L HN 0.417 nan 8.230 nan 0.000 0.456 159 E N 4.370 124.577 120.200 0.013 0.000 1.861 159 E HA 0.519 4.855 4.350 -0.024 0.000 0.263 159 E C -0.266 176.337 176.600 0.005 0.000 1.137 159 E CA -0.248 56.157 56.400 0.008 0.000 0.944 159 E CB 0.224 29.929 29.700 0.008 0.000 1.092 159 E HN 0.547 nan 8.360 nan 0.000 0.420 160 L N 2.067 123.291 121.223 0.002 0.000 2.282 160 L HA 0.811 5.137 4.340 -0.024 0.000 0.288 160 L C -1.762 175.107 176.870 -0.001 0.000 1.033 160 L CA -2.022 52.816 54.840 -0.003 0.000 0.807 160 L CB 0.627 42.680 42.059 -0.010 0.000 1.209 160 L HN 0.527 nan 8.230 nan 0.000 0.423 161 P HA 0.429 nan 4.420 nan 0.000 0.268 161 P C 1.282 178.584 177.300 0.003 0.000 1.208 161 P CA 0.567 63.673 63.100 0.010 0.000 0.777 161 P CB 0.552 32.269 31.700 0.027 0.000 0.875 162 E N 1.264 121.468 120.200 0.006 0.000 2.058 162 E HA -0.123 4.213 4.350 -0.024 0.000 0.194 162 E C 2.013 178.611 176.600 -0.003 0.000 0.997 162 E CA 1.759 58.160 56.400 0.002 0.000 0.801 162 E CB -1.572 28.131 29.700 0.005 0.000 0.746 162 E HN 0.689 nan 8.360 nan 0.000 0.450 163 G N 0.167 108.969 108.800 0.002 0.000 3.061 163 G HA2 0.366 4.311 3.960 -0.024 0.000 0.208 163 G HA3 0.366 4.311 3.960 -0.024 0.000 0.208 163 G C 0.685 175.570 174.900 -0.025 0.000 1.175 163 G CA 0.573 45.671 45.100 -0.003 0.000 0.812 163 G HN 0.609 nan 8.290 nan 0.000 0.523 164 M N -1.652 117.925 119.600 -0.038 0.000 2.593 164 M HA 0.768 5.233 4.480 -0.024 0.000 0.290 164 M C -0.368 175.892 176.300 -0.067 0.000 1.244 164 M CA -0.989 54.266 55.300 -0.075 0.000 0.857 164 M CB 2.089 34.618 32.600 -0.118 0.000 1.738 164 M HN -0.092 nan 8.290 nan 0.000 0.461 165 G N 1.332 110.082 108.800 -0.084 0.000 2.569 165 G HA2 0.805 4.751 3.960 -0.024 0.000 0.300 165 G HA3 0.805 4.751 3.960 -0.024 0.000 0.300 165 G C -1.619 173.236 174.900 -0.075 0.000 1.269 165 G CA -0.972 44.086 45.100 -0.070 0.000 0.959 165 G HN 0.712 nan 8.290 nan 0.000 0.478 166 L N -0.597 120.593 121.223 -0.054 0.000 2.286 166 L HA 0.689 5.015 4.340 -0.024 0.000 0.265 166 L C -0.549 176.299 176.870 -0.037 0.000 1.012 166 L CA -0.957 53.856 54.840 -0.044 0.000 0.818 166 L CB 2.343 44.389 42.059 -0.022 0.000 1.337 166 L HN 0.310 nan 8.230 nan 0.000 0.438 167 I N 0.461 121.015 120.570 -0.027 0.000 2.582 167 I HA 0.325 4.480 4.170 -0.024 0.000 0.292 167 I C -0.849 175.272 176.117 0.006 0.000 1.066 167 I CA -0.879 60.411 61.300 -0.016 0.000 1.053 167 I CB 2.346 40.333 38.000 -0.023 0.000 1.241 167 I HN 0.089 nan 8.210 nan 0.000 0.421 168 V N 5.427 125.350 119.914 0.015 0.000 2.389 168 V HA 0.412 4.518 4.120 -0.024 0.000 0.264 168 V C 0.983 177.100 176.094 0.038 0.000 1.049 168 V CA -0.388 61.935 62.300 0.038 0.000 0.932 168 V CB 0.545 32.388 31.823 0.034 0.000 1.011 168 V HN 0.910 nan 8.190 nan 0.000 0.475 169 R N 2.766 123.298 120.500 0.054 0.000 2.811 169 R HA 0.158 4.484 4.340 -0.024 0.000 0.265 169 R C 1.440 177.771 176.300 0.051 0.000 1.026 169 R CA 0.644 56.769 56.100 0.042 0.000 1.142 169 R CB -0.869 29.452 30.300 0.036 0.000 1.027 169 R HN 0.828 nan 8.270 nan 0.000 0.465 170 T N 1.014 115.587 114.554 0.033 0.000 2.778 170 T HA -0.152 4.184 4.350 -0.024 0.000 0.269 170 T C 2.296 177.029 174.700 0.056 0.000 1.050 170 T CA 1.755 63.875 62.100 0.032 0.000 1.137 170 T CB -0.286 68.593 68.868 0.017 0.000 0.860 170 T HN 0.885 nan 8.240 nan 0.000 0.468 171 A N 1.523 124.388 122.820 0.076 0.000 1.972 171 A HA 0.160 4.466 4.320 -0.024 0.000 0.219 171 A C 2.616 180.357 177.584 0.262 0.000 1.169 171 A CA 1.509 53.625 52.037 0.132 0.000 0.635 171 A CB -1.314 17.733 19.000 0.079 0.000 0.810 171 A HN 0.520 nan 8.150 nan 0.000 0.446 172 G N -0.766 108.189 108.800 0.258 0.000 2.601 172 G HA2 -0.082 3.864 3.960 -0.024 0.000 0.214 172 G HA3 -0.082 3.864 3.960 -0.024 0.000 0.214 172 G C 1.344 176.253 174.900 0.015 0.000 1.132 172 G CA 0.890 46.098 45.100 0.180 0.000 0.761 172 G HN 0.378 nan 8.290 nan 0.000 0.550 173 V N 0.559 120.498 119.914 0.042 0.000 2.490 173 V HA 0.041 4.146 4.120 -0.024 0.000 0.250 173 V C 2.514 178.595 176.094 -0.022 0.000 1.061 173 V CA 2.315 64.620 62.300 0.009 0.000 1.064 173 V CB -0.087 31.748 31.823 0.020 0.000 0.670 173 V HN 0.393 nan 8.190 nan 0.000 0.461 174 G N -1.447 107.330 108.800 -0.038 0.000 3.159 174 G HA2 0.144 4.090 3.960 -0.024 0.000 0.232 174 G HA3 0.144 4.090 3.960 -0.024 0.000 0.232 174 G C 0.606 175.447 174.900 -0.098 0.000 1.116 174 G CA -0.248 44.822 45.100 -0.050 0.000 0.767 174 G HN 0.385 nan 8.290 nan 0.000 0.547 175 K N 0.750 121.044 120.400 -0.177 0.000 2.488 175 K HA 0.626 4.932 4.320 -0.024 0.000 0.255 175 K C 0.615 177.118 176.600 -0.162 0.000 1.036 175 K CA -0.349 55.790 56.287 -0.246 0.000 0.990 175 K CB 0.708 32.885 32.500 -0.538 0.000 1.304 175 K HN 0.178 nan 8.250 nan 0.000 0.505 176 S N -1.352 114.259 115.700 -0.149 0.000 2.726 176 S HA 0.621 5.077 4.470 -0.024 0.000 0.308 176 S C 0.714 175.276 174.600 -0.064 0.000 1.115 176 S CA -0.446 57.703 58.200 -0.084 0.000 0.965 176 S CB 1.495 64.657 63.200 -0.062 0.000 1.145 176 S HN 0.469 nan 8.310 nan 0.000 0.532 177 A N 0.240 123.042 122.820 -0.030 0.000 1.969 177 A HA 0.162 4.467 4.320 -0.024 0.000 0.218 177 A C 2.185 179.782 177.584 0.022 0.000 1.169 177 A CA 1.710 53.745 52.037 -0.004 0.000 0.635 177 A CB -1.752 17.249 19.000 0.001 0.000 0.810 177 A HN 1.125 nan 8.150 nan 0.000 0.445 178 E N -0.393 119.818 120.200 0.018 0.000 2.152 178 E HA 0.160 4.496 4.350 -0.024 0.000 0.192 178 E C 2.146 178.798 176.600 0.087 0.000 0.983 178 E CA 1.526 57.956 56.400 0.049 0.000 0.818 178 E CB -0.916 28.801 29.700 0.028 0.000 0.758 178 E HN 0.914 nan 8.360 nan 0.000 0.467 179 A N 0.110 122.951 122.820 0.035 0.000 1.970 179 A HA 0.206 4.512 4.320 -0.024 0.000 0.216 179 A C 2.425 180.103 177.584 0.157 0.000 1.170 179 A CA 1.133 53.200 52.037 0.050 0.000 0.645 179 A CB -0.199 18.738 19.000 -0.104 0.000 0.816 179 A HN 0.430 nan 8.150 nan 0.000 0.447 180 L N -1.117 120.153 121.223 0.079 0.000 2.072 180 L HA -0.180 4.146 4.340 -0.024 0.000 0.205 180 L C 2.759 179.742 176.870 0.189 0.000 1.079 180 L CA 1.531 56.448 54.840 0.129 0.000 0.752 180 L CB -0.474 41.616 42.059 0.051 0.000 0.906 180 L HN 0.439 nan 8.230 nan 0.000 0.436 181 Q N -0.214 119.681 119.800 0.158 0.000 2.181 181 Q HA -0.273 4.053 4.340 -0.024 0.000 0.205 181 Q C 1.952 178.076 176.000 0.206 0.000 0.980 181 Q CA 1.920 57.810 55.803 0.144 0.000 0.862 181 Q CB -0.440 28.365 28.738 0.112 0.000 0.905 181 Q HN 0.529 nan 8.270 nan 0.000 0.429 182 W N 0.258 121.637 121.300 0.130 0.000 2.418 182 W HA -0.067 4.579 4.660 -0.024 0.000 0.292 182 W C 1.579 178.305 176.519 0.345 0.000 1.213 182 W CA 1.567 59.048 57.345 0.226 0.000 1.283 182 W CB -0.329 29.252 29.460 0.201 0.000 1.119 182 W HN 0.264 nan 8.180 nan 0.000 0.542 183 D N 0.219 120.882 120.400 0.439 0.000 2.103 183 D HA -0.209 4.416 4.640 -0.024 0.000 0.199 183 D C 2.122 178.486 176.300 0.106 0.000 0.978 183 D CA 1.656 55.819 54.000 0.271 0.000 0.829 183 D CB -0.557 40.524 40.800 0.468 0.000 0.981 183 D HN 0.181 nan 8.370 nan 0.000 0.464 184 L N 0.582 121.869 121.223 0.108 0.000 2.131 184 L HA -0.114 4.212 4.340 -0.024 0.000 0.210 184 L C 2.209 179.075 176.870 -0.007 0.000 1.092 184 L CA 2.358 57.226 54.840 0.046 0.000 0.759 184 L CB -0.951 41.136 42.059 0.046 0.000 0.903 184 L HN 0.144 nan 8.230 nan 0.000 0.435 185 S N -1.638 114.031 115.700 -0.053 0.000 2.406 185 S HA -0.127 4.329 4.470 -0.024 0.000 0.228 185 S C 1.952 176.378 174.600 -0.291 0.000 1.020 185 S CA 0.873 58.975 58.200 -0.163 0.000 0.965 185 S CB -1.124 61.948 63.200 -0.213 0.000 0.798 185 S HN 0.396 nan 8.310 nan 0.000 0.488 186 F N 2.646 122.413 119.950 -0.305 0.000 2.234 186 F HA 0.112 4.626 4.527 -0.022 0.000 0.299 186 F C 2.779 178.509 175.800 -0.116 0.000 1.087 186 F CA 0.838 58.665 58.000 -0.288 0.000 1.340 186 F CB -0.112 38.586 39.000 -0.503 0.000 1.031 186 F HN 0.101 nan 8.300 nan 0.000 0.500 187 R N 0.102 120.630 120.500 0.048 0.000 2.073 187 R HA -0.066 4.260 4.340 -0.024 0.000 0.229 187 R C 2.264 178.619 176.300 0.091 0.000 1.120 187 R CA 1.000 57.120 56.100 0.032 0.000 0.967 187 R CB -1.174 29.117 30.300 -0.015 0.000 0.862 187 R HN 0.353 nan 8.270 nan 0.000 0.436 188 L N 1.392 122.645 121.223 0.050 0.000 2.017 188 L HA -0.178 4.148 4.340 -0.024 0.000 0.208 188 L C 3.155 180.084 176.870 0.098 0.000 1.073 188 L CA 2.155 57.052 54.840 0.095 0.000 0.745 188 L CB -0.861 41.214 42.059 0.028 0.000 0.894 188 L HN 0.224 nan 8.230 nan 0.000 0.432 189 K N -0.337 120.055 120.400 -0.013 0.000 2.063 189 K HA -0.289 4.017 4.320 -0.024 0.000 0.208 189 K C 1.824 178.447 176.600 0.039 0.000 1.048 189 K CA 2.087 58.345 56.287 -0.049 0.000 0.928 189 K CB -1.557 30.829 32.500 -0.189 0.000 0.713 189 K HN 0.602 nan 8.250 nan 0.000 0.442 190 H N -1.931 117.143 119.070 0.007 0.000 2.326 190 H HA -0.085 4.457 4.556 -0.023 0.000 0.301 190 H C 2.125 177.500 175.328 0.077 0.000 1.081 190 H CA 1.781 57.850 56.048 0.034 0.000 1.334 190 H CB -0.135 29.645 29.762 0.031 0.000 1.385 190 H HN 0.691 nan 8.280 nan 0.000 0.504 191 W N 1.904 123.299 121.300 0.157 0.000 2.363 191 W HA -0.157 4.489 4.660 -0.024 0.000 0.296 191 W C 1.532 178.068 176.519 0.029 0.000 1.212 191 W CA 1.333 58.733 57.345 0.091 0.000 1.260 191 W CB 0.044 29.524 29.460 0.034 0.000 1.131 191 W HN 0.386 nan 8.180 nan 0.000 0.530 192 E N 0.483 120.615 120.200 -0.114 0.000 2.051 192 E HA -0.205 4.131 4.350 -0.024 0.000 0.192 192 E C 2.388 178.829 176.600 -0.265 0.000 0.991 192 E CA 1.542 57.786 56.400 -0.259 0.000 0.799 192 E CB -0.470 29.161 29.700 -0.114 0.000 0.748 192 E HN 0.283 nan 8.360 nan 0.000 0.449 193 A N 1.252 123.965 122.820 -0.179 0.000 2.019 193 A HA -0.136 4.170 4.320 -0.024 0.000 0.219 193 A C 2.495 179.964 177.584 -0.191 0.000 1.164 193 A CA 1.624 53.558 52.037 -0.172 0.000 0.644 193 A CB -0.968 17.929 19.000 -0.172 0.000 0.805 193 A HN 0.268 nan 8.150 nan 0.000 0.449 194 I N 0.894 121.329 120.570 -0.225 0.000 2.315 194 I HA -0.141 4.015 4.170 -0.024 0.000 0.248 194 I C 2.273 178.224 176.117 -0.276 0.000 1.117 194 I CA 2.286 63.479 61.300 -0.178 0.000 1.404 194 I CB -1.282 36.722 38.000 0.007 0.000 1.071 194 I HN 0.680 nan 8.210 nan 0.000 0.419 195 K N 0.654 120.747 120.400 -0.511 0.000 2.393 195 K HA 0.212 4.518 4.320 -0.024 0.000 0.193 195 K C 1.998 178.456 176.600 -0.237 0.000 1.026 195 K CA 0.925 56.944 56.287 -0.446 0.000 1.064 195 K CB -0.218 31.859 32.500 -0.704 0.000 0.833 195 K HN 0.487 nan 8.250 nan 0.000 0.521 196 K N 1.399 121.682 120.400 -0.196 0.000 2.137 196 K HA 0.239 4.545 4.320 -0.024 0.000 0.202 196 K C 2.135 178.707 176.600 -0.047 0.000 1.052 196 K CA 0.921 57.142 56.287 -0.110 0.000 0.961 196 K CB -0.614 31.821 32.500 -0.108 0.000 0.741 196 K HN 0.326 nan 8.250 nan 0.000 0.452 197 A N 0.558 123.365 122.820 -0.022 0.000 2.119 197 A HA 0.458 4.764 4.320 -0.024 0.000 0.216 197 A C 2.532 180.240 177.584 0.207 0.000 1.152 197 A CA 1.481 53.559 52.037 0.068 0.000 0.708 197 A CB -0.333 18.727 19.000 0.101 0.000 0.805 197 A HN 0.725 nan 8.150 nan 0.000 0.460 198 A N -0.828 122.078 122.820 0.144 0.000 1.997 198 A HA 0.343 4.649 4.320 -0.024 0.000 0.212 198 A C 1.923 179.595 177.584 0.147 0.000 1.178 198 A CA 1.370 53.533 52.037 0.210 0.000 0.698 198 A CB -0.488 18.541 19.000 0.049 0.000 0.842 198 A HN 0.617 nan 8.150 nan 0.000 0.458 199 E N -0.615 119.617 120.200 0.052 0.000 2.511 199 E HA 0.104 4.440 4.350 -0.024 0.000 0.196 199 E C 1.405 178.022 176.600 0.027 0.000 1.066 199 E CA 1.059 57.477 56.400 0.029 0.000 0.871 199 E CB -0.523 29.169 29.700 -0.012 0.000 0.863 199 E HN 0.471 nan 8.360 nan 0.000 0.520 200 S N -0.996 114.724 115.700 0.033 0.000 2.664 200 S HA 0.399 4.855 4.470 -0.024 0.000 0.245 200 S C 0.108 174.678 174.600 -0.050 0.000 1.019 200 S CA -0.246 57.947 58.200 -0.012 0.000 0.996 200 S CB -0.194 62.988 63.200 -0.030 0.000 0.878 200 S HN 0.465 nan 8.310 nan 0.000 0.493 201 R N 0.585 121.076 120.500 -0.014 0.000 2.690 201 R HA 0.385 4.711 4.340 -0.024 0.000 0.269 201 R C -3.067 173.266 176.300 0.054 0.000 1.037 201 R CA -1.442 54.602 56.100 -0.093 0.000 0.877 201 R CB 1.019 31.036 30.300 -0.472 0.000 1.255 201 R HN 0.094 nan 8.270 nan 0.000 0.467 202 P HA 0.099 nan 4.420 nan 0.000 0.272 202 P C -0.495 176.967 177.300 0.270 0.000 1.248 202 P CA 0.074 63.240 63.100 0.109 0.000 0.799 202 P CB 0.589 32.324 31.700 0.058 0.000 0.997 203 A N 0.872 123.833 122.820 0.235 0.000 1.984 203 A HA 0.081 4.386 4.320 -0.024 0.000 0.214 203 A C -0.806 176.929 177.584 0.253 0.000 1.173 203 A CA 1.054 53.237 52.037 0.244 0.000 0.673 203 A CB -1.990 17.090 19.000 0.132 0.000 0.830 203 A HN 0.441 nan 8.150 nan 0.000 0.453 204 P HA 0.051 nan 4.420 nan 0.000 0.242 204 P C 0.324 177.765 177.300 0.235 0.000 1.197 204 P CA 0.146 63.359 63.100 0.189 0.000 0.765 204 P CB -0.392 31.389 31.700 0.136 0.000 0.936 205 F N -0.685 119.347 119.950 0.136 0.000 2.368 205 F HA 0.470 4.983 4.527 -0.024 0.000 0.308 205 F C 0.289 176.272 175.800 0.304 0.000 1.198 205 F CA -1.800 56.301 58.000 0.168 0.000 1.130 205 F CB -0.064 38.999 39.000 0.105 0.000 1.300 205 F HN -0.318 nan 8.300 nan 0.000 0.537 206 L N 2.059 123.513 121.223 0.384 0.000 2.292 206 L HA 0.391 4.716 4.340 -0.024 0.000 0.284 206 L C -0.305 176.616 176.870 0.086 0.000 1.065 206 L CA -0.137 54.785 54.840 0.135 0.000 0.806 206 L CB 0.783 42.916 42.059 0.124 0.000 1.175 206 L HN 0.836 nan 8.230 nan 0.000 0.431 207 I N 2.300 122.802 120.570 -0.114 0.000 2.947 207 I HA 0.160 4.315 4.170 -0.024 0.000 0.263 207 I C -0.170 176.000 176.117 0.087 0.000 1.130 207 I CA -0.006 61.318 61.300 0.040 0.000 1.448 207 I CB 0.067 38.062 38.000 -0.009 0.000 1.222 207 I HN 0.680 nan 8.210 nan 0.000 0.453 208 H N 1.048 120.057 119.070 -0.101 0.000 2.689 208 H HA 0.430 4.971 4.556 -0.024 0.000 0.346 208 H C -0.776 174.503 175.328 -0.082 0.000 1.037 208 H CA -0.798 55.240 56.048 -0.017 0.000 1.234 208 H CB 1.326 31.156 29.762 0.114 0.000 1.572 208 H HN -0.021 nan 8.280 nan 0.000 0.524 209 Q N 3.643 123.099 119.800 -0.574 0.000 2.340 209 Q HA 0.348 4.674 4.340 -0.024 0.000 0.259 209 Q C 0.732 176.318 176.000 -0.691 0.000 0.964 209 Q CA 0.276 55.788 55.803 -0.485 0.000 0.900 209 Q CB 1.276 29.881 28.738 -0.222 0.000 1.228 209 Q HN 0.898 nan 8.270 nan 0.000 0.449 210 E N 2.581 122.510 120.200 -0.452 0.000 2.110 210 E HA -0.103 4.233 4.350 -0.024 0.000 0.193 210 E C 0.884 177.432 176.600 -0.087 0.000 0.988 210 E CA 1.399 57.669 56.400 -0.217 0.000 0.804 210 E CB -0.009 29.672 29.700 -0.030 0.000 0.745 210 E HN 0.549 nan 8.360 nan 0.000 0.458 211 S N 1.035 116.686 115.700 -0.082 0.000 2.062 211 S HA 0.281 4.737 4.470 -0.024 0.000 0.163 211 S C -1.048 173.515 174.600 -0.061 0.000 1.612 211 S CA -0.825 57.361 58.200 -0.024 0.000 1.251 211 S CB -0.719 62.504 63.200 0.039 0.000 1.174 211 S HN 0.376 nan 8.310 nan 0.000 0.428 212 N N 1.896 120.559 118.700 -0.062 0.000 2.514 212 N HA 0.082 4.808 4.740 -0.024 0.000 0.277 212 N C 1.204 176.685 175.510 -0.048 0.000 1.126 212 N CA -0.396 52.620 53.050 -0.055 0.000 0.978 212 N CB 1.590 40.044 38.487 -0.055 0.000 1.106 212 N HN 0.280 nan 8.380 nan 0.000 0.461 213 V N 2.561 122.441 119.914 -0.056 0.000 2.913 213 V HA -0.098 4.008 4.120 -0.024 0.000 0.260 213 V C 1.630 177.638 176.094 -0.143 0.000 1.098 213 V CA 1.337 63.598 62.300 -0.064 0.000 1.121 213 V CB -0.500 31.290 31.823 -0.055 0.000 0.714 213 V HN 0.621 nan 8.190 nan 0.000 0.487 214 I N -1.061 119.393 120.570 -0.192 0.000 2.277 214 I HA -0.107 4.048 4.170 -0.024 0.000 0.243 214 I C 2.372 178.238 176.117 -0.419 0.000 1.094 214 I CA 1.196 62.260 61.300 -0.394 0.000 1.393 214 I CB -0.303 37.510 38.000 -0.312 0.000 1.078 214 I HN 0.137 nan 8.210 nan 0.000 0.417 215 V N 0.949 120.779 119.914 -0.141 0.000 2.427 215 V HA -0.225 3.881 4.120 -0.024 0.000 0.248 215 V C 2.601 178.733 176.094 0.064 0.000 1.051 215 V CA 1.730 64.046 62.300 0.026 0.000 1.048 215 V CB -0.704 31.175 31.823 0.095 0.000 0.666 215 V HN 0.345 nan 8.190 nan 0.000 0.456 216 R N -0.114 120.399 120.500 0.022 0.000 2.075 216 R HA -0.084 4.241 4.340 -0.024 0.000 0.232 216 R C 2.450 178.820 176.300 0.116 0.000 1.126 216 R CA 1.442 57.584 56.100 0.069 0.000 0.963 216 R CB -0.614 29.723 30.300 0.061 0.000 0.858 216 R HN 0.528 nan 8.270 nan 0.000 0.435 217 A N 0.869 123.710 122.820 0.035 0.000 1.877 217 A HA -0.137 4.169 4.320 -0.024 0.000 0.216 217 A C 2.042 179.807 177.584 0.302 0.000 1.186 217 A CA 1.220 53.323 52.037 0.110 0.000 0.620 217 A CB -0.802 18.105 19.000 -0.155 0.000 0.822 217 A HN 0.278 nan 8.150 nan 0.000 0.443 218 F N -0.996 119.033 119.950 0.131 0.000 2.186 218 F HA -0.109 4.403 4.527 -0.024 0.000 0.299 218 F C 2.636 178.484 175.800 0.080 0.000 1.090 218 F CA 1.040 59.104 58.000 0.107 0.000 1.307 218 F CB -0.087 38.970 39.000 0.094 0.000 1.019 218 F HN 0.177 nan 8.300 nan 0.000 0.489 219 R N 0.485 121.136 120.500 0.252 0.000 2.148 219 R HA -0.127 4.199 4.340 -0.024 0.000 0.223 219 R C 0.910 177.241 176.300 0.052 0.000 1.088 219 R CA 1.637 57.814 56.100 0.128 0.000 0.985 219 R CB -0.075 30.291 30.300 0.109 0.000 0.880 219 R HN 0.184 nan 8.270 nan 0.000 0.451 220 D N -1.828 118.614 120.400 0.071 0.000 2.379 220 D HA 0.008 4.634 4.640 -0.024 0.000 0.218 220 D C 0.583 176.697 176.300 -0.310 0.000 1.006 220 D CA 0.827 54.736 54.000 -0.153 0.000 0.893 220 D CB 0.271 40.954 40.800 -0.195 0.000 1.019 220 D HN 0.205 nan 8.370 nan 0.000 0.503 221 Y N 0.059 120.386 120.300 0.046 0.000 2.430 221 Y HA 0.354 4.888 4.550 -0.026 0.000 0.248 221 Y C 0.686 176.617 175.900 0.051 0.000 1.108 221 Y CA -0.324 57.795 58.100 0.032 0.000 1.264 221 Y CB 0.783 39.255 38.460 0.020 0.000 1.172 221 Y HN -0.198 nan 8.280 nan 0.000 0.520 222 L N 1.372 122.735 121.223 0.233 0.000 2.426 222 L HA 0.538 4.864 4.340 -0.024 0.000 0.271 222 L C 0.494 177.325 176.870 -0.065 0.000 1.169 222 L CA 0.205 55.136 54.840 0.152 0.000 0.836 222 L CB 0.567 42.731 42.059 0.175 0.000 1.112 222 L HN 0.218 nan 8.230 nan 0.000 0.465 223 R N 1.877 122.164 120.500 -0.354 0.000 2.795 223 R HA 0.271 4.597 4.340 -0.024 0.000 0.268 223 R C 0.131 175.954 176.300 -0.797 0.000 1.041 223 R CA -0.191 55.199 56.100 -1.182 0.000 0.927 223 R CB 0.659 30.542 30.300 -0.695 0.000 1.235 223 R HN 0.704 nan 8.270 nan 0.000 0.463 224 Q N 0.301 119.447 119.800 -1.090 0.000 2.437 224 Q HA -0.124 4.201 4.340 -0.024 0.000 0.210 224 Q C 0.342 176.227 176.000 -0.191 0.000 0.972 224 Q CA 2.100 57.646 55.803 -0.428 0.000 0.903 224 Q CB 0.198 28.741 28.738 -0.324 0.000 0.967 224 Q HN 0.772 nan 8.270 nan 0.000 0.486 225 D N -0.623 119.643 120.400 -0.224 0.000 2.340 225 D HA -0.017 4.609 4.640 -0.024 0.000 0.220 225 D C 0.118 176.384 176.300 -0.057 0.000 1.039 225 D CA 0.037 53.966 54.000 -0.117 0.000 0.866 225 D CB -0.109 40.614 40.800 -0.129 0.000 0.913 225 D HN 0.264 nan 8.370 nan 0.000 0.523 226 I N 1.208 121.752 120.570 -0.043 0.000 2.308 226 I HA 0.243 4.399 4.170 -0.024 0.000 0.293 226 I C 1.696 177.828 176.117 0.025 0.000 1.078 226 I CA -0.499 60.809 61.300 0.014 0.000 1.292 226 I CB 1.579 39.598 38.000 0.032 0.000 1.423 226 I HN -0.004 nan 8.210 nan 0.000 0.493 227 G N 5.790 114.608 108.800 0.030 0.000 2.414 227 G HA2 -0.043 3.903 3.960 -0.024 0.000 0.215 227 G HA3 -0.043 3.903 3.960 -0.024 0.000 0.215 227 G C 0.502 175.428 174.900 0.044 0.000 1.188 227 G CA 0.400 45.522 45.100 0.036 0.000 0.783 227 G HN 0.585 nan 8.290 nan 0.000 0.537 228 E N -1.365 118.861 120.200 0.044 0.000 2.359 228 E HA 0.627 4.963 4.350 -0.024 0.000 0.266 228 E C -1.330 175.295 176.600 0.042 0.000 0.920 228 E CA -0.712 55.718 56.400 0.049 0.000 0.788 228 E CB 2.555 32.294 29.700 0.064 0.000 1.279 228 E HN 0.039 nan 8.360 nan 0.000 0.438 229 I N 2.549 123.153 120.570 0.056 0.000 2.623 229 I HA 0.200 4.355 4.170 -0.024 0.000 0.275 229 I C -0.843 175.328 176.117 0.091 0.000 1.108 229 I CA -0.298 61.048 61.300 0.076 0.000 1.120 229 I CB 0.544 38.614 38.000 0.117 0.000 1.249 229 I HN 0.222 nan 8.210 nan 0.000 0.500 230 L N 6.123 127.382 121.223 0.060 0.000 2.367 230 L HA 0.445 4.771 4.340 -0.024 0.000 0.275 230 L C -0.280 176.654 176.870 0.106 0.000 1.129 230 L CA 0.011 54.910 54.840 0.098 0.000 0.839 230 L CB 0.575 42.684 42.059 0.084 0.000 1.133 230 L HN 0.448 nan 8.230 nan 0.000 0.453 231 I N 2.376 123.031 120.570 0.141 0.000 2.498 231 I HA 0.161 4.316 4.170 -0.024 0.000 0.290 231 I C 0.100 176.314 176.117 0.161 0.000 1.032 231 I CA -0.502 60.872 61.300 0.124 0.000 1.073 231 I CB 2.092 40.156 38.000 0.108 0.000 1.251 231 I HN 0.588 nan 8.210 nan 0.000 0.426 232 D N 2.590 123.077 120.400 0.146 0.000 2.339 232 D HA -0.018 4.607 4.640 -0.024 0.000 0.217 232 D C 0.235 176.598 176.300 0.105 0.000 1.050 232 D CA 0.305 54.425 54.000 0.200 0.000 0.856 232 D CB 0.079 41.009 40.800 0.217 0.000 0.922 232 D HN 0.308 nan 8.370 nan 0.000 0.518 233 N N 0.349 119.089 118.700 0.066 0.000 2.442 233 N HA 0.274 5.000 4.740 -0.024 0.000 0.274 233 N C -2.183 173.350 175.510 0.039 0.000 1.002 233 N CA -2.172 50.901 53.050 0.038 0.000 0.910 233 N CB 2.349 40.844 38.487 0.014 0.000 1.244 233 N HN -0.305 nan 8.380 nan 0.000 0.492 234 P HA -0.116 nan 4.420 nan 0.000 0.215 234 P C 1.236 178.552 177.300 0.028 0.000 1.157 234 P CA 2.118 65.237 63.100 0.032 0.000 0.868 234 P CB 0.261 31.974 31.700 0.021 0.000 0.788 235 K N -0.218 120.193 120.400 0.019 0.000 2.152 235 K HA -0.128 4.178 4.320 -0.024 0.000 0.206 235 K C 2.126 178.737 176.600 0.018 0.000 1.048 235 K CA 2.053 58.349 56.287 0.015 0.000 0.933 235 K CB -1.800 30.704 32.500 0.007 0.000 0.721 235 K HN 0.034 nan 8.250 nan 0.000 0.447 236 V N 0.111 120.036 119.914 0.018 0.000 2.599 236 V HA -0.024 4.082 4.120 -0.024 0.000 0.245 236 V C 2.387 178.505 176.094 0.040 0.000 1.046 236 V CA 1.104 63.414 62.300 0.017 0.000 1.065 236 V CB -0.027 31.797 31.823 0.002 0.000 0.703 236 V HN 0.542 nan 8.190 nan 0.000 0.464 237 L N -0.068 121.187 121.223 0.054 0.000 2.042 237 L HA -0.185 4.141 4.340 -0.024 0.000 0.210 237 L C 2.645 179.563 176.870 0.081 0.000 1.076 237 L CA 1.827 56.715 54.840 0.080 0.000 0.749 237 L CB -0.306 41.800 42.059 0.077 0.000 0.893 237 L HN 0.263 nan 8.230 nan 0.000 0.432 238 E N -0.132 120.104 120.200 0.059 0.000 2.077 238 E HA -0.209 4.127 4.350 -0.024 0.000 0.193 238 E C 2.283 178.920 176.600 0.061 0.000 0.989 238 E CA 1.458 57.891 56.400 0.055 0.000 0.800 238 E CB -0.388 29.334 29.700 0.038 0.000 0.746 238 E HN 0.541 nan 8.360 nan 0.000 0.452 239 L N 0.280 121.535 121.223 0.053 0.000 2.131 239 L HA -0.148 4.177 4.340 -0.024 0.000 0.210 239 L C 2.430 179.351 176.870 0.085 0.000 1.092 239 L CA 1.058 55.929 54.840 0.052 0.000 0.759 239 L CB -0.407 41.667 42.059 0.025 0.000 0.903 239 L HN 0.052 nan 8.230 nan 0.000 0.435 240 A N 0.205 123.093 122.820 0.113 0.000 1.930 240 A HA -0.153 4.152 4.320 -0.024 0.000 0.217 240 A C 2.384 180.141 177.584 0.288 0.000 1.175 240 A CA 1.120 53.292 52.037 0.226 0.000 0.627 240 A CB -0.326 18.829 19.000 0.258 0.000 0.815 240 A HN 0.344 nan 8.150 nan 0.000 0.443 241 R N -0.461 120.144 120.500 0.175 0.000 2.066 241 R HA -0.131 4.194 4.340 -0.024 0.000 0.232 241 R C 2.371 178.742 176.300 0.118 0.000 1.131 241 R CA 1.519 57.698 56.100 0.131 0.000 0.955 241 R CB -0.507 29.846 30.300 0.088 0.000 0.851 241 R HN 0.651 nan 8.270 nan 0.000 0.432 242 Q N -0.218 119.644 119.800 0.102 0.000 2.077 242 Q HA -0.248 4.078 4.340 -0.024 0.000 0.206 242 Q C 2.468 178.532 176.000 0.107 0.000 0.989 242 Q CA 2.230 58.083 55.803 0.083 0.000 0.853 242 Q CB -0.592 28.184 28.738 0.065 0.000 0.907 242 Q HN 0.772 nan 8.270 nan 0.000 0.418 243 H N 0.603 119.765 119.070 0.153 0.000 2.421 243 H HA -0.015 4.527 4.556 -0.024 0.000 0.298 243 H C 1.911 177.382 175.328 0.238 0.000 1.087 243 H CA 1.452 57.619 56.048 0.199 0.000 1.330 243 H CB -0.589 29.311 29.762 0.230 0.000 1.388 243 H HN 0.222 nan 8.280 nan 0.000 0.526 244 I N 0.332 121.043 120.570 0.235 0.000 2.252 244 I HA -0.174 3.981 4.170 -0.024 0.000 0.245 244 I C 3.153 179.331 176.117 0.102 0.000 1.102 244 I CA 1.077 62.467 61.300 0.151 0.000 1.385 244 I CB -0.438 37.596 38.000 0.057 0.000 1.064 244 I HN 0.601 nan 8.210 nan 0.000 0.414 245 A N 0.545 123.412 122.820 0.078 0.000 1.930 245 A HA -0.083 4.223 4.320 -0.024 0.000 0.217 245 A C 2.494 180.092 177.584 0.023 0.000 1.175 245 A CA 1.559 53.621 52.037 0.041 0.000 0.627 245 A CB -0.621 18.399 19.000 0.033 0.000 0.815 245 A HN 0.429 nan 8.150 nan 0.000 0.443 246 A N -0.670 122.172 122.820 0.036 0.000 1.930 246 A HA 0.039 4.345 4.320 -0.024 0.000 0.217 246 A C 1.926 179.472 177.584 -0.063 0.000 1.175 246 A CA 1.480 53.514 52.037 -0.005 0.000 0.627 246 A CB -0.460 18.559 19.000 0.033 0.000 0.815 246 A HN 0.397 nan 8.150 nan 0.000 0.443 247 L N -1.110 120.139 121.223 0.044 0.000 2.465 247 L HA 0.168 4.494 4.340 -0.024 0.000 0.224 247 L C 1.599 178.516 176.870 0.079 0.000 1.145 247 L CA 1.329 56.234 54.840 0.108 0.000 0.834 247 L CB -0.222 42.005 42.059 0.280 0.000 0.944 247 L HN 0.637 nan 8.230 nan 0.000 0.451 248 G N -0.860 107.956 108.800 0.027 0.000 2.164 248 G HA2 -0.178 3.767 3.960 -0.024 0.000 0.212 248 G HA3 -0.178 3.767 3.960 -0.024 0.000 0.212 248 G C 0.211 175.089 174.900 -0.036 0.000 1.031 248 G CA 0.042 45.130 45.100 -0.021 0.000 0.730 248 G HN 0.530 nan 8.290 nan 0.000 0.501 249 R N 0.230 120.745 120.500 0.026 0.000 2.585 249 R HA 0.780 5.106 4.340 -0.024 0.000 0.278 249 R C -1.167 175.159 176.300 0.044 0.000 1.663 249 R CA -0.470 55.650 56.100 0.033 0.000 1.592 249 R CB 0.230 30.674 30.300 0.241 0.000 1.200 249 R HN 0.209 nan 8.270 nan 0.000 0.611 250 P HA -0.040 nan 4.420 nan 0.000 0.226 250 P C 0.958 178.274 177.300 0.028 0.000 1.153 250 P CA 1.575 64.686 63.100 0.019 0.000 0.777 250 P CB 0.092 31.794 31.700 0.005 0.000 0.794 251 D N -1.032 119.389 120.400 0.035 0.000 2.378 251 D HA -0.106 4.520 4.640 -0.024 0.000 0.222 251 D C 1.364 177.706 176.300 0.069 0.000 0.980 251 D CA 0.440 54.472 54.000 0.053 0.000 0.907 251 D CB -1.108 39.731 40.800 0.064 0.000 0.899 251 D HN 0.155 nan 8.370 nan 0.000 0.527 252 F N -0.557 119.431 119.950 0.063 0.000 2.720 252 F HA 0.215 4.728 4.527 -0.024 0.000 0.301 252 F C 2.669 178.474 175.800 0.008 0.000 1.103 252 F CA 0.411 58.434 58.000 0.037 0.000 1.291 252 F CB 0.399 39.406 39.000 0.011 0.000 1.086 252 F HN 0.339 nan 8.300 nan 0.000 0.592 253 S N 0.105 115.817 115.700 0.020 0.000 2.383 253 S HA -0.211 4.245 4.470 -0.024 0.000 0.229 253 S C 2.263 176.884 174.600 0.035 0.000 1.030 253 S CA 1.726 59.943 58.200 0.028 0.000 1.002 253 S CB -0.599 62.620 63.200 0.033 0.000 0.829 253 S HN 0.689 nan 8.310 nan 0.000 0.467 254 S N 1.372 117.093 115.700 0.035 0.000 2.419 254 S HA -0.038 4.418 4.470 -0.024 0.000 0.233 254 S C 1.539 176.165 174.600 0.043 0.000 1.016 254 S CA 0.960 59.183 58.200 0.039 0.000 0.974 254 S CB -0.263 62.959 63.200 0.038 0.000 0.786 254 S HN 0.421 nan 8.310 nan 0.000 0.492 255 K N 0.425 120.849 120.400 0.040 0.000 2.314 255 K HA 0.349 4.655 4.320 -0.024 0.000 0.198 255 K C 0.214 176.842 176.600 0.048 0.000 1.045 255 K CA 0.078 56.390 56.287 0.043 0.000 0.988 255 K CB -0.013 32.509 32.500 0.037 0.000 0.783 255 K HN 0.414 nan 8.250 nan 0.000 0.484 256 I N 2.601 123.198 120.570 0.045 0.000 2.517 256 I HA -0.025 4.130 4.170 -0.024 0.000 0.285 256 I C -0.177 175.989 176.117 0.082 0.000 1.106 256 I CA 0.445 61.788 61.300 0.071 0.000 1.402 256 I CB 0.473 38.523 38.000 0.083 0.000 1.399 256 I HN 0.016 nan 8.210 nan 0.000 0.535 257 K N 5.658 126.117 120.400 0.098 0.000 2.426 257 K HA 0.499 4.805 4.320 -0.024 0.000 0.251 257 K C -1.175 175.499 176.600 0.123 0.000 0.941 257 K CA -1.013 55.336 56.287 0.103 0.000 0.808 257 K CB 2.663 35.230 32.500 0.111 0.000 1.265 257 K HN 0.275 nan 8.250 nan 0.000 0.432 258 L N 3.047 124.336 121.223 0.111 0.000 2.281 258 L HA 0.268 4.594 4.340 -0.024 0.000 0.285 258 L C -0.969 175.994 176.870 0.156 0.000 1.074 258 L CA -0.134 54.777 54.840 0.118 0.000 0.817 258 L CB 0.054 42.156 42.059 0.071 0.000 1.168 258 L HN 0.493 nan 8.230 nan 0.000 0.434 259 Y N 3.590 123.933 120.300 0.071 0.000 2.336 259 Y HA 0.380 4.917 4.550 -0.022 0.000 0.331 259 Y C 1.083 177.009 175.900 0.044 0.000 1.211 259 Y CA 0.772 58.918 58.100 0.077 0.000 1.346 259 Y CB 1.220 39.748 38.460 0.113 0.000 1.271 259 Y HN 0.848 nan 8.280 nan 0.000 0.538 260 T N 0.211 114.315 114.554 -0.749 0.000 3.029 260 T HA 0.291 4.627 4.350 -0.024 0.000 0.256 260 T C 0.842 175.185 174.700 -0.594 0.000 0.914 260 T CA 0.225 62.047 62.100 -0.464 0.000 0.880 260 T CB -0.655 68.065 68.868 -0.246 0.000 1.246 260 T HN 0.834 nan 8.240 nan 0.000 0.523 261 G N 0.820 108.972 108.800 -1.081 0.000 2.559 261 G HA2 0.386 4.331 3.960 -0.024 0.000 0.235 261 G HA3 0.386 4.331 3.960 -0.024 0.000 0.235 261 G C 0.941 175.673 174.900 -0.279 0.000 1.266 261 G CA 0.274 45.005 45.100 -0.615 0.000 0.847 261 G HN 0.500 nan 8.290 nan 0.000 0.583 262 E N 1.251 121.378 120.200 -0.122 0.000 2.158 262 E HA 0.062 4.398 4.350 -0.024 0.000 0.191 262 E C 1.415 178.044 176.600 0.048 0.000 0.982 262 E CA 0.431 56.813 56.400 -0.029 0.000 0.823 262 E CB -0.337 29.346 29.700 -0.028 0.000 0.766 262 E HN 0.638 nan 8.360 nan 0.000 0.468 263 I N 2.422 123.033 120.570 0.068 0.000 2.742 263 I HA 0.090 4.245 4.170 -0.024 0.000 0.287 263 I C -2.181 174.091 176.117 0.258 0.000 1.186 263 I CA -1.774 59.609 61.300 0.139 0.000 1.417 263 I CB 0.774 38.859 38.000 0.142 0.000 1.377 263 I HN 0.092 nan 8.210 nan 0.000 0.556 264 P HA -0.119 nan 4.420 nan 0.000 0.266 264 P C 0.606 178.016 177.300 0.182 0.000 1.186 264 P CA -0.157 63.059 63.100 0.194 0.000 0.767 264 P CB 0.570 32.339 31.700 0.114 0.000 0.820 265 L N 3.202 124.457 121.223 0.055 0.000 2.013 265 L HA -0.198 4.128 4.340 -0.024 0.000 0.212 265 L C 1.900 178.900 176.870 0.216 0.000 1.073 265 L CA 2.169 56.885 54.840 -0.206 0.000 0.753 265 L CB -1.094 40.877 42.059 -0.147 0.000 0.890 265 L HN 0.239 nan 8.230 nan 0.000 0.432 266 F N -0.736 119.200 119.950 -0.024 0.000 2.407 266 F HA -0.030 4.482 4.527 -0.024 0.000 0.299 266 F C 2.566 178.406 175.800 0.067 0.000 1.097 266 F CA 0.973 58.983 58.000 0.018 0.000 1.422 266 F CB -1.050 37.952 39.000 0.002 0.000 1.067 266 F HN 0.120 nan 8.300 nan 0.000 0.539 267 S N -2.148 113.710 115.700 0.263 0.000 2.439 267 S HA -0.105 4.351 4.470 -0.024 0.000 0.224 267 S C 1.975 176.681 174.600 0.177 0.000 1.029 267 S CA 0.246 58.556 58.200 0.184 0.000 0.946 267 S CB -0.481 62.813 63.200 0.157 0.000 0.797 267 S HN 0.484 nan 8.310 nan 0.000 0.504 268 H N -0.440 118.683 119.070 0.089 0.000 2.423 268 H HA -0.044 4.498 4.556 -0.024 0.000 0.297 268 H C 0.864 176.115 175.328 -0.129 0.000 1.075 268 H CA 1.260 57.310 56.048 0.003 0.000 1.342 268 H CB 0.028 29.811 29.762 0.035 0.000 1.395 268 H HN 0.416 nan 8.280 nan 0.000 0.530 269 Y N 0.750 121.012 120.300 -0.063 0.000 2.466 269 Y HA 0.037 4.573 4.550 -0.024 0.000 0.272 269 Y C 0.631 176.469 175.900 -0.103 0.000 1.169 269 Y CA -0.004 58.011 58.100 -0.141 0.000 1.285 269 Y CB 0.520 38.898 38.460 -0.136 0.000 1.078 269 Y HN 0.171 nan 8.280 nan 0.000 0.523 270 Q N -0.431 119.393 119.800 0.040 0.000 2.494 270 Q HA -0.236 4.090 4.340 -0.024 0.000 0.266 270 Q C 0.892 176.900 176.000 0.013 0.000 1.053 270 Q CA 1.402 57.218 55.803 0.021 0.000 1.029 270 Q CB -2.536 26.195 28.738 -0.012 0.000 1.423 270 Q HN 0.826 nan 8.270 nan 0.000 0.516 271 I N -4.283 116.285 120.570 -0.004 0.000 3.860 271 I HA 0.125 4.281 4.170 -0.024 0.000 0.319 271 I C 1.773 177.875 176.117 -0.025 0.000 1.279 271 I CA 0.462 61.718 61.300 -0.073 0.000 1.220 271 I CB 0.102 37.956 38.000 -0.242 0.000 1.027 271 I HN -0.111 nan 8.210 nan 0.000 0.428 272 E N 2.276 122.512 120.200 0.060 0.000 2.150 272 E HA -0.182 4.154 4.350 -0.024 0.000 0.193 272 E C 2.282 178.939 176.600 0.096 0.000 0.985 272 E CA 1.869 58.344 56.400 0.126 0.000 0.814 272 E CB -0.069 29.725 29.700 0.157 0.000 0.752 272 E HN 0.689 nan 8.360 nan 0.000 0.466 273 S N -0.554 115.185 115.700 0.064 0.000 2.414 273 S HA -0.122 4.334 4.470 -0.024 0.000 0.227 273 S C 1.918 176.543 174.600 0.040 0.000 1.022 273 S CA 0.659 58.893 58.200 0.057 0.000 0.958 273 S CB -0.242 62.983 63.200 0.042 0.000 0.797 273 S HN 0.274 nan 8.310 nan 0.000 0.493 274 Q N 0.738 120.547 119.800 0.014 0.000 2.123 274 Q HA 0.120 4.445 4.340 -0.024 0.000 0.199 274 Q C 2.152 178.136 176.000 -0.027 0.000 0.966 274 Q CA 1.350 57.146 55.803 -0.012 0.000 0.845 274 Q CB -0.448 28.270 28.738 -0.032 0.000 0.907 274 Q HN 0.582 nan 8.270 nan 0.000 0.439 275 I N 1.300 121.863 120.570 -0.011 0.000 2.264 275 I HA -0.283 3.872 4.170 -0.024 0.000 0.248 275 I C 2.681 178.816 176.117 0.030 0.000 1.111 275 I CA 1.689 62.988 61.300 -0.003 0.000 1.382 275 I CB -0.470 37.585 38.000 0.092 0.000 1.060 275 I HN 0.315 nan 8.210 nan 0.000 0.418 276 E N 0.438 120.712 120.200 0.124 0.000 2.338 276 E HA -0.190 4.145 4.350 -0.024 0.000 0.197 276 E C 2.132 178.826 176.600 0.156 0.000 1.007 276 E CA 1.257 57.797 56.400 0.235 0.000 0.849 276 E CB -0.836 28.970 29.700 0.178 0.000 0.774 276 E HN 0.699 nan 8.360 nan 0.000 0.506 277 S N -0.809 114.908 115.700 0.029 0.000 2.489 277 S HA 0.375 4.831 4.470 -0.024 0.000 0.228 277 S C 2.286 176.847 174.600 -0.066 0.000 0.995 277 S CA 0.805 59.006 58.200 0.002 0.000 0.934 277 S CB 0.178 63.369 63.200 -0.015 0.000 0.771 277 S HN 0.804 nan 8.310 nan 0.000 0.522 278 A N 0.197 122.875 122.820 -0.237 0.000 2.235 278 A HA 0.410 4.716 4.320 -0.024 0.000 0.208 278 A C 1.061 178.363 177.584 -0.469 0.000 1.172 278 A CA 0.184 51.982 52.037 -0.398 0.000 0.786 278 A CB -0.764 17.897 19.000 -0.564 0.000 0.804 278 A HN 0.639 nan 8.150 nan 0.000 0.479 279 F N -0.676 119.315 119.950 0.068 0.000 2.661 279 F HA 0.242 4.754 4.527 -0.025 0.000 0.306 279 F C 0.819 176.728 175.800 0.183 0.000 1.094 279 F CA -0.337 57.725 58.000 0.103 0.000 1.254 279 F CB 0.355 39.398 39.000 0.072 0.000 1.040 279 F HN 0.122 nan 8.300 nan 0.000 0.562 280 Q N 0.501 120.443 119.800 0.237 0.000 2.235 280 Q HA 0.329 4.654 4.340 -0.024 0.000 0.256 280 Q C 1.174 177.140 176.000 -0.056 0.000 0.951 280 Q CA -0.596 55.288 55.803 0.134 0.000 0.890 280 Q CB 2.229 31.004 28.738 0.062 0.000 1.279 280 Q HN 0.164 nan 8.270 nan 0.000 0.444 281 R N 1.220 121.468 120.500 -0.421 0.000 2.075 281 R HA -0.022 4.304 4.340 -0.024 0.000 0.226 281 R C -0.036 176.134 176.300 -0.216 0.000 1.114 281 R CA 1.048 56.826 56.100 -0.537 0.000 0.972 281 R CB 0.478 30.278 30.300 -0.832 0.000 0.869 281 R HN 0.620 nan 8.270 nan 0.000 0.437 282 E N 0.460 120.566 120.200 -0.156 0.000 2.176 282 E HA 0.265 4.600 4.350 -0.024 0.000 0.267 282 E C -1.708 174.859 176.600 -0.054 0.000 0.893 282 E CA -0.592 55.756 56.400 -0.087 0.000 0.761 282 E CB 2.043 31.699 29.700 -0.074 0.000 1.133 282 E HN -0.054 nan 8.360 nan 0.000 0.409 283 V N 5.503 125.391 119.914 -0.043 0.000 2.407 283 V HA 0.354 4.459 4.120 -0.024 0.000 0.291 283 V C 0.204 176.284 176.094 -0.023 0.000 1.018 283 V CA -0.883 61.400 62.300 -0.028 0.000 0.842 283 V CB 1.441 33.246 31.823 -0.029 0.000 0.996 283 V HN 0.663 nan 8.190 nan 0.000 0.426 284 R N 3.855 124.345 120.500 -0.017 0.000 2.570 284 R HA 0.340 4.666 4.340 -0.024 0.000 0.277 284 R C -0.488 175.804 176.300 -0.013 0.000 1.039 284 R CA -0.049 56.043 56.100 -0.014 0.000 1.065 284 R CB 0.604 30.898 30.300 -0.009 0.000 0.964 284 R HN 0.552 nan 8.270 nan 0.000 0.428 285 L N 5.107 126.322 121.223 -0.013 0.000 2.421 285 L HA 0.235 4.561 4.340 -0.024 0.000 0.263 285 L C -1.154 175.708 176.870 -0.014 0.000 1.122 285 L CA -1.905 52.927 54.840 -0.013 0.000 0.804 285 L CB 0.643 42.695 42.059 -0.012 0.000 1.150 285 L HN 0.337 nan 8.230 nan 0.000 0.457 286 P HA -0.117 nan 4.420 nan 0.000 0.218 286 P C 1.239 178.530 177.300 -0.016 0.000 1.148 286 P CA 1.109 64.199 63.100 -0.016 0.000 0.822 286 P CB 0.306 31.994 31.700 -0.020 0.000 0.784 287 S N -2.582 113.107 115.700 -0.019 0.000 2.478 287 S HA 0.226 4.682 4.470 -0.024 0.000 0.222 287 S C 1.612 176.205 174.600 -0.012 0.000 1.008 287 S CA 1.118 59.307 58.200 -0.017 0.000 0.928 287 S CB -0.085 63.102 63.200 -0.023 0.000 0.781 287 S HN 0.352 nan 8.310 nan 0.000 0.518 288 G N 0.182 108.975 108.800 -0.011 0.000 2.901 288 G HA2 -0.023 3.923 3.960 -0.024 0.000 0.194 288 G HA3 -0.023 3.923 3.960 -0.024 0.000 0.194 288 G C 0.418 175.313 174.900 -0.008 0.000 1.020 288 G CA -0.199 44.896 45.100 -0.008 0.000 0.787 288 G HN 0.690 nan 8.290 nan 0.000 0.477 289 G N 0.306 109.101 108.800 -0.008 0.000 2.583 289 G HA2 0.631 4.577 3.960 -0.024 0.000 0.275 289 G HA3 0.631 4.577 3.960 -0.024 0.000 0.275 289 G C 0.397 175.291 174.900 -0.010 0.000 1.342 289 G CA 1.233 46.329 45.100 -0.007 0.000 1.030 289 G HN 1.763 nan 8.290 nan 0.000 0.520 290 S N -2.021 113.671 115.700 -0.012 0.000 2.643 290 S HA 0.641 5.097 4.470 -0.024 0.000 0.270 290 S C -0.783 173.801 174.600 -0.026 0.000 1.166 290 S CA -0.750 57.438 58.200 -0.020 0.000 0.815 290 S CB 1.361 64.547 63.200 -0.023 0.000 1.139 290 S HN 1.325 nan 8.310 nan 0.000 0.472 291 I N -0.919 119.629 120.570 -0.036 0.000 2.465 291 I HA 0.848 5.004 4.170 -0.024 0.000 0.291 291 I C -1.316 174.766 176.117 -0.058 0.000 1.014 291 I CA -1.270 59.999 61.300 -0.051 0.000 1.093 291 I CB 1.985 39.951 38.000 -0.056 0.000 1.267 291 I HN 0.407 nan 8.210 nan 0.000 0.431 292 V N 7.064 126.940 119.914 -0.063 0.000 2.334 292 V HA 0.402 4.507 4.120 -0.024 0.000 0.281 292 V C 0.161 176.217 176.094 -0.065 0.000 1.016 292 V CA -0.309 61.950 62.300 -0.069 0.000 0.832 292 V CB 1.229 33.015 31.823 -0.061 0.000 0.999 292 V HN 0.581 nan 8.190 nan 0.000 0.439 293 I N 4.894 125.426 120.570 -0.064 0.000 2.287 293 I HA 0.332 4.488 4.170 -0.024 0.000 0.290 293 I C -0.165 175.947 176.117 -0.008 0.000 1.069 293 I CA -0.014 61.264 61.300 -0.036 0.000 1.237 293 I CB 0.424 38.412 38.000 -0.021 0.000 1.418 293 I HN 0.524 nan 8.210 nan 0.000 0.481 294 D N 4.749 125.150 120.400 0.002 0.000 2.181 294 D HA 0.402 5.028 4.640 -0.024 0.000 0.248 294 D C -0.244 176.089 176.300 0.055 0.000 1.020 294 D CA -0.138 53.885 54.000 0.039 0.000 0.891 294 D CB 2.325 43.136 40.800 0.019 0.000 1.187 294 D HN 0.459 nan 8.370 nan 0.000 0.443 295 S N -0.104 115.657 115.700 0.102 0.000 2.526 295 S HA 0.708 5.164 4.470 -0.024 0.000 0.293 295 S C -0.039 174.626 174.600 0.108 0.000 1.092 295 S CA -0.608 57.645 58.200 0.090 0.000 0.980 295 S CB 2.007 65.261 63.200 0.089 0.000 1.048 295 S HN 0.496 nan 8.310 nan 0.000 0.483 296 T N -0.050 114.541 114.554 0.061 0.000 2.768 296 T HA 0.520 4.856 4.350 -0.024 0.000 0.268 296 T C 0.927 175.644 174.700 0.027 0.000 0.969 296 T CA -0.222 61.912 62.100 0.057 0.000 1.008 296 T CB 0.669 69.557 68.868 0.033 0.000 1.371 296 T HN 0.618 nan 8.240 nan 0.000 0.587 297 E N 0.386 120.597 120.200 0.020 0.000 2.051 297 E HA 0.021 4.357 4.350 -0.024 0.000 0.192 297 E C 2.157 178.754 176.600 -0.006 0.000 0.991 297 E CA 1.816 58.216 56.400 -0.000 0.000 0.799 297 E CB -0.816 28.886 29.700 0.004 0.000 0.748 297 E HN 0.715 nan 8.360 nan 0.000 0.449 298 A N -0.512 122.308 122.820 -0.001 0.000 1.903 298 A HA 0.291 4.597 4.320 -0.024 0.000 0.213 298 A C 0.691 178.272 177.584 -0.005 0.000 1.185 298 A CA 1.189 53.223 52.037 -0.005 0.000 0.628 298 A CB -0.214 18.783 19.000 -0.006 0.000 0.830 298 A HN 0.306 nan 8.150 nan 0.000 0.446 299 L N -5.490 115.731 121.223 -0.002 0.000 2.669 299 L HA 0.715 5.041 4.340 -0.024 0.000 0.255 299 L C -0.864 176.008 176.870 0.002 0.000 1.123 299 L CA -0.591 54.247 54.840 -0.003 0.000 0.941 299 L CB 1.282 43.337 42.059 -0.007 0.000 1.552 299 L HN -0.243 nan 8.230 nan 0.000 0.394 300 T N 0.956 115.509 114.554 -0.002 0.000 2.809 300 T HA 0.802 5.138 4.350 -0.024 0.000 0.296 300 T C -0.245 174.447 174.700 -0.014 0.000 1.015 300 T CA -0.101 61.999 62.100 0.000 0.000 0.954 300 T CB 1.150 70.018 68.868 -0.000 0.000 0.950 300 T HN 0.895 nan 8.240 nan 0.000 0.450 301 A N 4.375 127.187 122.820 -0.012 0.000 2.320 301 A HA 0.720 5.025 4.320 -0.024 0.000 0.287 301 A C -0.091 177.466 177.584 -0.044 0.000 1.181 301 A CA -0.589 51.430 52.037 -0.030 0.000 0.831 301 A CB -0.070 18.916 19.000 -0.022 0.000 1.102 301 A HN 0.896 nan 8.150 nan 0.000 0.513 302 I N 2.658 123.182 120.570 -0.077 0.000 2.382 302 I HA 0.231 4.386 4.170 -0.024 0.000 0.285 302 I C -0.680 175.362 176.117 -0.124 0.000 1.007 302 I CA -0.569 60.670 61.300 -0.101 0.000 1.142 302 I CB 1.671 39.593 38.000 -0.130 0.000 1.289 302 I HN 0.603 nan 8.210 nan 0.000 0.453 303 D N 7.005 127.351 120.400 -0.091 0.000 2.229 303 D HA 0.525 5.151 4.640 -0.024 0.000 0.249 303 D C -0.736 175.514 176.300 -0.082 0.000 1.027 303 D CA -0.219 53.733 54.000 -0.080 0.000 0.923 303 D CB 1.465 42.236 40.800 -0.048 0.000 1.174 303 D HN 0.220 nan 8.370 nan 0.000 0.443 304 I N 2.638 123.169 120.570 -0.064 0.000 2.436 304 I HA 0.341 4.497 4.170 -0.024 0.000 0.289 304 I C -0.441 175.672 176.117 -0.007 0.000 1.010 304 I CA -0.851 60.426 61.300 -0.038 0.000 1.098 304 I CB 1.464 39.451 38.000 -0.022 0.000 1.266 304 I HN 0.244 nan 8.210 nan 0.000 0.434 305 N N 3.859 122.555 118.700 -0.006 0.000 2.335 305 N HA 0.478 5.204 4.740 -0.024 0.000 0.304 305 N C -0.267 175.246 175.510 0.006 0.000 1.135 305 N CA -0.417 52.634 53.050 0.002 0.000 0.817 305 N CB 2.563 41.047 38.487 -0.006 0.000 1.294 305 N HN 0.667 nan 8.380 nan 0.000 0.497 306 S N -0.334 115.372 115.700 0.010 0.000 2.690 306 S HA 0.713 5.168 4.470 -0.024 0.000 0.285 306 S C 0.985 175.586 174.600 0.003 0.000 1.135 306 S CA -0.383 57.822 58.200 0.008 0.000 1.020 306 S CB 1.090 64.298 63.200 0.013 0.000 1.159 306 S HN 0.625 nan 8.310 nan 0.000 0.534 307 A N 0.625 123.445 122.820 0.001 0.000 1.908 307 A HA 0.665 4.971 4.320 -0.024 0.000 0.217 307 A C 1.448 179.032 177.584 0.001 0.000 1.378 307 A CA 1.159 53.196 52.037 -0.001 0.000 0.613 307 A CB -1.242 17.756 19.000 -0.003 0.000 1.053 307 A HN 1.399 nan 8.150 nan 0.000 0.484 314 D N 0.904 121.313 120.400 0.014 0.000 2.401 314 D HA 0.237 4.863 4.640 -0.024 0.000 0.254 314 D C 1.729 178.040 176.300 0.019 0.000 1.192 314 D CA -0.205 53.806 54.000 0.018 0.000 0.885 314 D CB 0.722 41.536 40.800 0.023 0.000 1.147 314 D HN 0.250 nan 8.370 nan 0.000 0.478 315 I N 3.534 124.116 120.570 0.019 0.000 2.133 315 I HA -0.160 3.996 4.170 -0.024 0.000 0.238 315 I C 2.619 178.750 176.117 0.023 0.000 1.074 315 I CA 1.534 62.846 61.300 0.020 0.000 1.342 315 I CB -0.731 37.282 38.000 0.020 0.000 1.053 315 I HN 0.553 nan 8.210 nan 0.000 0.404 316 E N 1.271 121.485 120.200 0.024 0.000 2.118 316 E HA -0.277 4.059 4.350 -0.024 0.000 0.195 316 E C 2.167 178.764 176.600 -0.006 0.000 0.992 316 E CA 1.959 58.370 56.400 0.019 0.000 0.804 316 E CB -1.351 28.374 29.700 0.042 0.000 0.741 316 E HN 0.698 nan 8.360 nan 0.000 0.458 317 E N 0.125 120.337 120.200 0.021 0.000 2.152 317 E HA -0.086 4.249 4.350 -0.024 0.000 0.192 317 E C 2.327 178.950 176.600 0.037 0.000 0.983 317 E CA 1.518 57.946 56.400 0.047 0.000 0.818 317 E CB -1.108 28.624 29.700 0.052 0.000 0.758 317 E HN 0.581 nan 8.360 nan 0.000 0.467 318 T N 0.093 114.659 114.554 0.021 0.000 2.812 318 T HA 0.147 4.483 4.350 -0.024 0.000 0.264 318 T C 2.425 177.132 174.700 0.012 0.000 1.042 318 T CA 1.359 63.465 62.100 0.010 0.000 1.140 318 T CB -0.316 68.559 68.868 0.011 0.000 0.870 318 T HN 0.566 nan 8.240 nan 0.000 0.445 319 A N 1.232 124.069 122.820 0.028 0.000 1.902 319 A HA -0.017 4.289 4.320 -0.024 0.000 0.217 319 A C 2.010 179.630 177.584 0.061 0.000 1.181 319 A CA 1.265 53.330 52.037 0.045 0.000 0.623 319 A CB -0.932 18.099 19.000 0.052 0.000 0.818 319 A HN 0.441 nan 8.150 nan 0.000 0.443 320 F N 1.392 121.239 119.950 -0.172 0.000 2.102 320 F HA -0.157 4.355 4.527 -0.024 0.000 0.298 320 F C 2.068 177.785 175.800 -0.139 0.000 1.105 320 F CA 1.858 59.708 58.000 -0.251 0.000 1.239 320 F CB -0.500 38.161 39.000 -0.565 0.000 0.991 320 F HN 0.319 nan 8.300 nan 0.000 0.474 321 N N -0.650 117.912 118.700 -0.230 0.000 2.270 321 N HA -0.137 4.588 4.740 -0.024 0.000 0.181 321 N C 1.539 176.941 175.510 -0.180 0.000 1.016 321 N CA 1.682 54.555 53.050 -0.295 0.000 0.870 321 N CB 0.007 38.407 38.487 -0.146 0.000 0.979 321 N HN 0.316 nan 8.380 nan 0.000 0.431 322 T N 0.896 115.398 114.554 -0.087 0.000 2.896 322 T HA 0.016 4.352 4.350 -0.024 0.000 0.263 322 T C 1.526 176.228 174.700 0.003 0.000 1.050 322 T CA 0.569 62.651 62.100 -0.030 0.000 1.140 322 T CB -0.102 68.769 68.868 0.005 0.000 0.877 322 T HN 0.244 nan 8.240 nan 0.000 0.457 323 N N 1.365 120.073 118.700 0.013 0.000 2.188 323 N HA 0.058 4.784 4.740 -0.024 0.000 0.184 323 N C 1.832 177.358 175.510 0.026 0.000 1.018 323 N CA 0.738 53.857 53.050 0.115 0.000 0.858 323 N CB -0.480 38.047 38.487 0.067 0.000 0.989 323 N HN 0.339 nan 8.380 nan 0.000 0.426 324 L N 1.333 122.458 121.223 -0.162 0.000 2.017 324 L HA -0.142 4.183 4.340 -0.024 0.000 0.208 324 L C 2.146 178.973 176.870 -0.072 0.000 1.073 324 L CA 1.255 55.986 54.840 -0.182 0.000 0.745 324 L CB -0.394 41.445 42.059 -0.367 0.000 0.894 324 L HN 0.180 nan 8.230 nan 0.000 0.432 325 E N 0.075 120.235 120.200 -0.067 0.000 2.110 325 E HA -0.238 4.098 4.350 -0.024 0.000 0.193 325 E C 2.292 178.901 176.600 0.015 0.000 0.988 325 E CA 1.122 57.504 56.400 -0.030 0.000 0.804 325 E CB -0.195 29.484 29.700 -0.036 0.000 0.745 325 E HN 0.522 nan 8.360 nan 0.000 0.458 326 A N 1.744 124.598 122.820 0.057 0.000 1.858 326 A HA -0.154 4.152 4.320 -0.024 0.000 0.216 326 A C 2.465 180.123 177.584 0.123 0.000 1.190 326 A CA 1.829 53.918 52.037 0.087 0.000 0.617 326 A CB -0.807 18.278 19.000 0.142 0.000 0.827 326 A HN 0.300 nan 8.150 nan 0.000 0.443 327 A N -0.581 122.373 122.820 0.222 0.000 1.948 327 A HA -0.070 4.236 4.320 -0.024 0.000 0.220 327 A C 1.943 179.584 177.584 0.096 0.000 1.177 327 A CA 2.495 54.663 52.037 0.219 0.000 0.636 327 A CB -1.565 17.546 19.000 0.184 0.000 0.815 327 A HN 0.726 nan 8.150 nan 0.000 0.449 328 D N -0.717 119.712 120.400 0.050 0.000 2.123 328 D HA -0.081 4.545 4.640 -0.024 0.000 0.200 328 D C 1.934 178.246 176.300 0.020 0.000 0.976 328 D CA 1.539 55.553 54.000 0.024 0.000 0.831 328 D CB -0.381 40.420 40.800 0.001 0.000 0.974 328 D HN 0.545 nan 8.370 nan 0.000 0.469 329 E N -0.076 120.134 120.200 0.017 0.000 2.107 329 E HA 0.016 4.352 4.350 -0.024 0.000 0.191 329 E C 1.928 178.528 176.600 -0.000 0.000 0.982 329 E CA 0.472 56.874 56.400 0.003 0.000 0.809 329 E CB -0.335 29.362 29.700 -0.004 0.000 0.756 329 E HN 0.629 nan 8.360 nan 0.000 0.459 330 I N 0.288 120.861 120.570 0.006 0.000 2.286 330 I HA -0.260 3.896 4.170 -0.024 0.000 0.248 330 I C 2.272 178.392 176.117 0.005 0.000 1.115 330 I CA 1.049 62.346 61.300 -0.006 0.000 1.392 330 I CB -0.302 37.688 38.000 -0.016 0.000 1.065 330 I HN 0.167 nan 8.210 nan 0.000 0.418 331 A N 1.654 124.488 122.820 0.022 0.000 1.902 331 A HA -0.240 4.066 4.320 -0.024 0.000 0.217 331 A C 2.291 179.885 177.584 0.018 0.000 1.181 331 A CA 2.156 54.208 52.037 0.025 0.000 0.623 331 A CB -0.537 18.484 19.000 0.034 0.000 0.818 331 A HN 0.520 nan 8.150 nan 0.000 0.443 332 R N -1.239 119.270 120.500 0.014 0.000 2.127 332 R HA 0.044 4.370 4.340 -0.024 0.000 0.217 332 R C 1.826 178.120 176.300 -0.010 0.000 1.074 332 R CA 1.257 57.364 56.100 0.012 0.000 0.991 332 R CB -0.438 29.873 30.300 0.019 0.000 0.895 332 R HN 0.346 nan 8.270 nan 0.000 0.450 333 Q N 0.973 120.761 119.800 -0.019 0.000 2.167 333 Q HA -0.001 4.325 4.340 -0.024 0.000 0.202 333 Q C 2.152 178.132 176.000 -0.034 0.000 0.970 333 Q CA 1.291 57.073 55.803 -0.036 0.000 0.855 333 Q CB -0.121 28.597 28.738 -0.035 0.000 0.911 333 Q HN 0.448 nan 8.270 nan 0.000 0.438 334 L N -0.066 121.147 121.223 -0.017 0.000 2.093 334 L HA -0.168 4.158 4.340 -0.024 0.000 0.208 334 L C 2.600 179.464 176.870 -0.009 0.000 1.085 334 L CA 1.029 55.862 54.840 -0.011 0.000 0.755 334 L CB -0.270 41.788 42.059 -0.002 0.000 0.904 334 L HN 0.166 nan 8.230 nan 0.000 0.435 335 R N 0.041 120.538 120.500 -0.004 0.000 2.061 335 R HA -0.095 4.231 4.340 -0.024 0.000 0.230 335 R C 2.312 178.604 176.300 -0.013 0.000 1.140 335 R CA 1.182 57.284 56.100 0.002 0.000 0.940 335 R CB -0.551 29.760 30.300 0.018 0.000 0.839 335 R HN 0.267 nan 8.270 nan 0.000 0.429 336 L N 0.439 121.638 121.223 -0.039 0.000 2.012 336 L HA -0.206 4.119 4.340 -0.024 0.000 0.210 336 L C 2.582 179.385 176.870 -0.112 0.000 1.073 336 L CA 1.593 56.384 54.840 -0.082 0.000 0.748 336 L CB -0.483 41.507 42.059 -0.115 0.000 0.891 336 L HN 0.178 nan 8.230 nan 0.000 0.431 337 R N -0.378 120.061 120.500 -0.101 0.000 2.189 337 R HA -0.137 4.189 4.340 -0.024 0.000 0.223 337 R C 0.462 176.741 176.300 -0.036 0.000 1.092 337 R CA 0.775 56.821 56.100 -0.089 0.000 0.989 337 R CB -0.294 29.971 30.300 -0.059 0.000 0.876 337 R HN 0.218 nan 8.270 nan 0.000 0.457 338 D N 0.088 120.475 120.400 -0.023 0.000 2.800 338 D HA -0.166 4.459 4.640 -0.024 0.000 0.232 338 D C -0.923 175.375 176.300 -0.003 0.000 1.137 338 D CA 0.419 54.416 54.000 -0.005 0.000 0.718 338 D CB -1.086 39.716 40.800 0.004 0.000 1.084 338 D HN 0.139 nan 8.370 nan 0.000 0.432 339 L N -0.145 121.074 121.223 -0.006 0.000 2.525 339 L HA 0.351 4.676 4.340 -0.024 0.000 0.278 339 L C 1.673 178.541 176.870 -0.003 0.000 1.218 339 L CA 1.100 55.939 54.840 -0.002 0.000 0.878 339 L CB 0.567 42.624 42.059 -0.003 0.000 1.127 339 L HN 0.280 nan 8.230 nan 0.000 0.492 340 G N 0.916 109.714 108.800 -0.003 0.000 2.600 340 G HA2 0.643 4.589 3.960 -0.024 0.000 0.303 340 G HA3 0.643 4.589 3.960 -0.024 0.000 0.303 340 G C -0.032 174.864 174.900 -0.006 0.000 1.253 340 G CA 0.015 45.111 45.100 -0.005 0.000 0.974 340 G HN 0.985 nan 8.290 nan 0.000 0.483 341 G N -0.851 107.945 108.800 -0.006 0.000 2.509 341 G HA2 0.021 3.967 3.960 -0.024 0.000 0.256 341 G HA3 0.021 3.967 3.960 -0.024 0.000 0.256 341 G C -0.639 174.258 174.900 -0.005 0.000 1.152 341 G CA 0.201 45.297 45.100 -0.007 0.000 0.951 341 G HN 1.318 nan 8.290 nan 0.000 0.559 342 L N 1.101 122.320 121.223 -0.005 0.000 2.289 342 L HA 0.806 5.131 4.340 -0.024 0.000 0.285 342 L C 0.152 177.018 176.870 -0.006 0.000 1.049 342 L CA -0.556 54.282 54.840 -0.005 0.000 0.804 342 L CB 0.996 43.052 42.059 -0.005 0.000 1.195 342 L HN 0.499 nan 8.230 nan 0.000 0.428 343 I N 4.600 125.166 120.570 -0.007 0.000 2.499 343 I HA 0.452 4.607 4.170 -0.024 0.000 0.288 343 I C -0.852 175.255 176.117 -0.017 0.000 1.048 343 I CA -0.706 60.586 61.300 -0.014 0.000 1.062 343 I CB 2.100 40.090 38.000 -0.016 0.000 1.238 343 I HN 0.086 nan 8.210 nan 0.000 0.426 344 V N 6.915 126.812 119.914 -0.028 0.000 2.384 344 V HA 0.479 4.585 4.120 -0.024 0.000 0.287 344 V C -0.059 175.988 176.094 -0.078 0.000 1.020 344 V CA -0.449 61.831 62.300 -0.033 0.000 0.850 344 V CB 1.671 33.480 31.823 -0.023 0.000 0.987 344 V HN 0.480 nan 8.190 nan 0.000 0.436 345 I N 3.577 124.077 120.570 -0.117 0.000 2.330 345 I HA 0.328 4.484 4.170 -0.024 0.000 0.289 345 I C -0.303 175.660 176.117 -0.255 0.000 1.001 345 I CA -0.325 60.802 61.300 -0.288 0.000 1.193 345 I CB 1.549 39.212 38.000 -0.561 0.000 1.345 345 I HN 0.533 nan 8.210 nan 0.000 0.461 346 D N 7.187 127.459 120.400 -0.212 0.000 2.522 346 D HA 0.225 4.851 4.640 -0.024 0.000 0.218 346 D C -0.350 175.892 176.300 -0.098 0.000 1.149 346 D CA -0.243 53.704 54.000 -0.088 0.000 0.981 346 D CB 0.106 40.883 40.800 -0.039 0.000 1.041 346 D HN 0.046 nan 8.370 nan 0.000 0.518 347 F N 2.230 122.206 119.950 0.043 0.000 2.545 347 F HA 0.181 4.722 4.527 0.024 0.000 0.348 347 F C 1.380 177.206 175.800 0.042 0.000 1.163 347 F CA -0.346 57.678 58.000 0.041 0.000 1.331 347 F CB 0.370 39.402 39.000 0.054 0.000 1.138 347 F HN 0.191 nan 8.300 nan 0.000 0.602 348 I N 2.364 123.085 120.570 0.252 0.000 2.752 348 I HA -0.086 4.070 4.170 -0.024 0.000 0.287 348 I C 0.257 176.467 176.117 0.154 0.000 1.188 348 I CA -0.001 61.392 61.300 0.154 0.000 1.427 348 I CB 0.000 38.068 38.000 0.113 0.000 1.365 348 I HN 0.389 nan 8.210 nan 0.000 0.585 349 D N 6.904 127.372 120.400 0.113 0.000 2.493 349 D HA 0.199 4.825 4.640 -0.024 0.000 0.240 349 D C -0.295 176.055 176.300 0.082 0.000 1.142 349 D CA 0.773 54.830 54.000 0.096 0.000 0.872 349 D CB 0.575 41.419 40.800 0.073 0.000 1.173 349 D HN 0.287 nan 8.370 nan 0.000 0.467 350 M N 0.990 120.638 119.600 0.079 0.000 2.326 350 M HA 0.148 4.614 4.480 -0.024 0.000 0.306 350 M C 1.285 177.620 176.300 0.059 0.000 1.054 350 M CA -0.674 54.673 55.300 0.078 0.000 0.922 350 M CB 2.303 34.964 32.600 0.101 0.000 1.632 350 M HN 0.292 nan 8.290 nan 0.000 0.436 351 T N -1.356 113.231 114.554 0.055 0.000 2.937 351 T HA 0.181 4.517 4.350 -0.024 0.000 0.260 351 T C -1.546 173.150 174.700 -0.007 0.000 1.051 351 T CA 0.205 62.317 62.100 0.021 0.000 1.141 351 T CB -1.276 67.600 68.868 0.014 0.000 0.879 351 T HN 0.378 nan 8.240 nan 0.000 0.459 352 P HA 0.434 nan 4.420 nan 0.000 0.281 352 P C 0.810 178.031 177.300 -0.132 0.000 1.252 352 P CA -0.412 62.612 63.100 -0.126 0.000 0.778 352 P CB 1.534 33.041 31.700 -0.321 0.000 0.895 353 V N 2.602 122.435 119.914 -0.135 0.000 2.594 353 V HA -0.260 3.845 4.120 -0.024 0.000 0.253 353 V C 2.835 178.844 176.094 -0.142 0.000 1.069 353 V CA 2.535 64.767 62.300 -0.113 0.000 1.082 353 V CB -1.368 30.393 31.823 -0.104 0.000 0.680 353 V HN 0.660 nan 8.190 nan 0.000 0.469 354 R N -0.905 119.452 120.500 -0.237 0.000 2.148 354 R HA -0.163 4.163 4.340 -0.024 0.000 0.227 354 R C 2.019 178.155 176.300 -0.274 0.000 1.103 354 R CA 1.583 57.526 56.100 -0.263 0.000 0.983 354 R CB -1.214 28.885 30.300 -0.335 0.000 0.874 354 R HN 0.711 nan 8.270 nan 0.000 0.451 355 H N 0.388 119.289 119.070 -0.281 0.000 2.395 355 H HA -0.003 4.539 4.556 -0.024 0.000 0.299 355 H C 2.021 177.307 175.328 -0.069 0.000 1.070 355 H CA 1.528 57.361 56.048 -0.358 0.000 1.356 355 H CB 0.040 29.522 29.762 -0.467 0.000 1.401 355 H HN 0.621 nan 8.280 nan 0.000 0.524 356 Q N 0.019 119.840 119.800 0.036 0.000 2.167 356 Q HA -0.094 4.232 4.340 -0.024 0.000 0.202 356 Q C 2.805 178.799 176.000 -0.010 0.000 0.970 356 Q CA 1.568 57.371 55.803 -0.001 0.000 0.855 356 Q CB 0.027 28.756 28.738 -0.015 0.000 0.911 356 Q HN 0.483 nan 8.270 nan 0.000 0.438 357 R N 0.679 121.173 120.500 -0.009 0.000 2.090 357 R HA 0.097 4.423 4.340 -0.024 0.000 0.228 357 R C 2.138 178.459 176.300 0.035 0.000 1.110 357 R CA 1.411 57.516 56.100 0.007 0.000 0.973 357 R CB -1.367 28.924 30.300 -0.015 0.000 0.869 357 R HN 0.365 nan 8.270 nan 0.000 0.440 358 A N 0.370 123.239 122.820 0.081 0.000 1.930 358 A HA 0.063 4.369 4.320 -0.024 0.000 0.217 358 A C 2.522 180.170 177.584 0.107 0.000 1.175 358 A CA 1.545 53.675 52.037 0.155 0.000 0.627 358 A CB -0.318 18.890 19.000 0.346 0.000 0.815 358 A HN 0.318 nan 8.150 nan 0.000 0.443 359 V N 0.045 119.996 119.914 0.061 0.000 2.427 359 V HA -0.233 3.873 4.120 -0.024 0.000 0.248 359 V C 2.352 178.327 176.094 -0.198 0.000 1.051 359 V CA 2.152 64.359 62.300 -0.154 0.000 1.048 359 V CB -0.757 30.850 31.823 -0.360 0.000 0.666 359 V HN 0.630 nan 8.190 nan 0.000 0.456 360 E N 0.369 120.505 120.200 -0.107 0.000 2.047 360 E HA -0.185 4.151 4.350 -0.024 0.000 0.191 360 E C 2.038 178.645 176.600 0.012 0.000 0.987 360 E CA 1.323 57.709 56.400 -0.023 0.000 0.799 360 E CB -0.203 29.525 29.700 0.045 0.000 0.752 360 E HN 0.554 nan 8.360 nan 0.000 0.449 361 N N 0.686 119.396 118.700 0.018 0.000 2.381 361 N HA -0.122 4.604 4.740 -0.024 0.000 0.182 361 N C 1.711 177.231 175.510 0.015 0.000 1.025 361 N CA 0.587 53.650 53.050 0.023 0.000 0.888 361 N CB -0.104 38.400 38.487 0.028 0.000 0.965 361 N HN -0.017 nan 8.380 nan 0.000 0.438 362 R N 1.387 121.890 120.500 0.005 0.000 2.075 362 R HA 0.018 4.344 4.340 -0.024 0.000 0.232 362 R C 1.925 178.236 176.300 0.019 0.000 1.126 362 R CA 0.804 56.903 56.100 -0.001 0.000 0.963 362 R CB -1.012 29.270 30.300 -0.030 0.000 0.858 362 R HN 0.203 nan 8.270 nan 0.000 0.435 363 L N 0.554 121.799 121.223 0.036 0.000 2.156 363 L HA 0.024 4.350 4.340 -0.024 0.000 0.208 363 L C 2.070 178.972 176.870 0.052 0.000 1.095 363 L CA 1.626 56.512 54.840 0.076 0.000 0.770 363 L CB -0.270 41.874 42.059 0.141 0.000 0.914 363 L HN 0.095 nan 8.230 nan 0.000 0.439 364 R N -0.490 120.032 120.500 0.037 0.000 2.090 364 R HA -0.074 4.252 4.340 -0.024 0.000 0.228 364 R C 2.217 178.528 176.300 0.018 0.000 1.110 364 R CA 1.325 57.440 56.100 0.026 0.000 0.973 364 R CB -0.448 29.865 30.300 0.021 0.000 0.869 364 R HN 0.571 nan 8.270 nan 0.000 0.440 365 E N 0.741 120.949 120.200 0.014 0.000 2.216 365 E HA 0.033 4.369 4.350 -0.024 0.000 0.192 365 E C 1.759 178.363 176.600 0.006 0.000 0.988 365 E CA 0.987 57.390 56.400 0.005 0.000 0.834 365 E CB -0.270 29.430 29.700 -0.000 0.000 0.772 365 E HN 0.470 nan 8.360 nan 0.000 0.479 366 A N 0.674 123.503 122.820 0.015 0.000 2.016 366 A HA 0.155 4.461 4.320 -0.024 0.000 0.217 366 A C 2.531 180.130 177.584 0.025 0.000 1.162 366 A CA 1.670 53.718 52.037 0.019 0.000 0.662 366 A CB -0.286 18.729 19.000 0.026 0.000 0.812 366 A HN 0.972 nan 8.150 nan 0.000 0.450 367 V N -1.622 118.309 119.914 0.028 0.000 3.649 367 V HA 0.057 4.163 4.120 -0.024 0.000 0.275 367 V C 1.975 178.086 176.094 0.028 0.000 1.281 367 V CA 0.974 63.292 62.300 0.030 0.000 1.143 367 V CB -1.019 30.823 31.823 0.031 0.000 0.892 367 V HN 0.653 nan 8.190 nan 0.000 0.441 368 R N 2.399 122.911 120.500 0.020 0.000 2.193 368 R HA -0.183 4.143 4.340 -0.024 0.000 0.229 368 R C 1.923 178.238 176.300 0.025 0.000 1.110 368 R CA 2.003 58.111 56.100 0.013 0.000 0.988 368 R CB -0.280 30.018 30.300 -0.003 0.000 0.871 368 R HN 0.752 nan 8.270 nan 0.000 0.458 369 Q N -0.148 119.674 119.800 0.037 0.000 2.319 369 Q HA 0.146 4.472 4.340 -0.024 0.000 0.202 369 Q C -0.397 175.650 176.000 0.079 0.000 0.896 369 Q CA -0.174 55.668 55.803 0.065 0.000 0.942 369 Q CB 0.275 29.049 28.738 0.060 0.000 1.083 369 Q HN 0.087 nan 8.270 nan 0.000 0.510 370 D N 1.244 121.678 120.400 0.057 0.000 2.390 370 D HA 0.078 4.704 4.640 -0.024 0.000 0.249 370 D C 0.409 176.733 176.300 0.040 0.000 1.144 370 D CA -0.029 53.993 54.000 0.037 0.000 0.880 370 D CB 0.904 41.721 40.800 0.028 0.000 1.182 370 D HN 0.126 nan 8.370 nan 0.000 0.451 371 R N 2.124 122.622 120.500 -0.005 0.000 2.148 371 R HA 0.060 4.386 4.340 -0.024 0.000 0.223 371 R C 0.672 176.964 176.300 -0.013 0.000 1.088 371 R CA 0.342 56.424 56.100 -0.029 0.000 0.985 371 R CB 0.045 30.259 30.300 -0.144 0.000 0.880 371 R HN 0.446 nan 8.270 nan 0.000 0.451 372 A N 1.385 124.199 122.820 -0.010 0.000 2.483 372 A HA 0.341 4.647 4.320 -0.024 0.000 0.238 372 A C 0.289 177.877 177.584 0.007 0.000 1.070 372 A CA 0.044 52.078 52.037 -0.006 0.000 0.770 372 A CB 0.013 19.010 19.000 -0.004 0.000 1.008 372 A HN 0.494 nan 8.150 nan 0.000 0.497 373 R N 1.752 122.254 120.500 0.004 0.000 2.399 373 R HA 0.474 4.800 4.340 -0.024 0.000 0.324 373 R C -0.475 175.829 176.300 0.006 0.000 1.030 373 R CA 0.511 56.616 56.100 0.007 0.000 0.984 373 R CB -0.838 29.464 30.300 0.003 0.000 0.961 373 R HN 0.670 nan 8.270 nan 0.000 0.433 374 I N 1.893 122.469 120.570 0.009 0.000 2.509 374 I HA 0.319 4.474 4.170 -0.024 0.000 0.293 374 I C -0.034 176.086 176.117 0.005 0.000 1.020 374 I CA -0.719 60.587 61.300 0.009 0.000 1.088 374 I CB 2.455 40.464 38.000 0.014 0.000 1.267 374 I HN 0.647 nan 8.210 nan 0.000 0.430 375 Q N 6.224 126.025 119.800 0.002 0.000 2.304 375 Q HA 0.646 4.971 4.340 -0.024 0.000 0.270 375 Q C -1.386 174.609 176.000 -0.008 0.000 1.035 375 Q CA -0.607 55.193 55.803 -0.006 0.000 0.781 375 Q CB 3.299 32.031 28.738 -0.009 0.000 1.261 375 Q HN 0.520 nan 8.270 nan 0.000 0.444 376 I N 1.678 122.237 120.570 -0.019 0.000 2.466 376 I HA 0.294 4.450 4.170 -0.024 0.000 0.289 376 I C 0.378 176.448 176.117 -0.079 0.000 1.026 376 I CA -0.341 60.948 61.300 -0.019 0.000 1.078 376 I CB 1.998 40.004 38.000 0.009 0.000 1.249 376 I HN 0.659 nan 8.210 nan 0.000 0.429 377 S N 4.856 120.508 115.700 -0.080 0.000 2.495 377 S HA 0.510 4.966 4.470 -0.024 0.000 0.273 377 S C 0.077 174.558 174.600 -0.198 0.000 1.156 377 S CA -0.609 57.472 58.200 -0.199 0.000 1.032 377 S CB 0.616 63.766 63.200 -0.083 0.000 1.160 377 S HN 0.510 nan 8.310 nan 0.000 0.489 378 H N -0.652 118.456 119.070 0.063 0.000 2.570 378 H HA 0.459 5.001 4.556 -0.024 0.000 0.342 378 H C -0.346 175.036 175.328 0.091 0.000 1.245 378 H CA -0.858 55.227 56.048 0.062 0.000 1.318 378 H CB 0.442 30.228 29.762 0.041 0.000 1.694 378 H HN 0.458 nan 8.280 nan 0.000 0.592 379 I N 2.306 123.020 120.570 0.240 0.000 2.494 379 I HA -0.060 4.095 4.170 -0.024 0.000 0.289 379 I C 1.146 177.356 176.117 0.156 0.000 1.106 379 I CA -0.038 61.376 61.300 0.190 0.000 1.369 379 I CB 0.076 38.152 38.000 0.127 0.000 1.410 379 I HN 0.478 nan 8.210 nan 0.000 0.523 380 S N 5.220 121.025 115.700 0.176 0.000 2.617 380 S HA 0.057 4.513 4.470 -0.024 0.000 0.255 380 S C 1.585 176.223 174.600 0.063 0.000 1.318 380 S CA -0.338 57.951 58.200 0.148 0.000 0.978 380 S CB 0.814 64.157 63.200 0.238 0.000 0.961 380 S HN 0.669 nan 8.310 nan 0.000 0.582 381 R N -0.587 119.875 120.500 -0.064 0.000 2.293 381 R HA 0.079 4.405 4.340 -0.024 0.000 0.219 381 R C 1.146 177.246 176.300 -0.334 0.000 1.091 381 R CA 1.282 57.228 56.100 -0.256 0.000 1.004 381 R CB -2.092 27.961 30.300 -0.411 0.000 0.865 381 R HN 0.782 nan 8.270 nan 0.000 0.469 382 F N 0.263 120.240 119.950 0.045 0.000 2.746 382 F HA 0.502 5.015 4.527 -0.022 0.000 0.297 382 F C 1.960 177.795 175.800 0.058 0.000 1.113 382 F CA 0.234 58.261 58.000 0.044 0.000 1.367 382 F CB 0.459 39.482 39.000 0.039 0.000 1.111 382 F HN 0.435 nan 8.300 nan 0.000 0.590 383 G N 1.532 110.458 108.800 0.209 0.000 2.165 383 G HA2 -0.246 3.700 3.960 -0.024 0.000 0.226 383 G HA3 -0.246 3.700 3.960 -0.024 0.000 0.226 383 G C -0.316 174.717 174.900 0.221 0.000 1.035 383 G CA -0.342 44.871 45.100 0.189 0.000 0.744 383 G HN 0.243 nan 8.290 nan 0.000 0.501 384 L N -0.757 120.602 121.223 0.227 0.000 2.334 384 L HA 0.847 5.173 4.340 -0.024 0.000 0.273 384 L C 0.011 177.008 176.870 0.211 0.000 1.013 384 L CA -1.341 53.611 54.840 0.187 0.000 0.816 384 L CB 1.961 44.101 42.059 0.136 0.000 1.278 384 L HN 0.125 nan 8.230 nan 0.000 0.431 385 L N 2.062 123.402 121.223 0.194 0.000 2.343 385 L HA 0.405 4.731 4.340 -0.024 0.000 0.278 385 L C -0.516 176.415 176.870 0.102 0.000 0.996 385 L CA 0.052 55.013 54.840 0.202 0.000 0.831 385 L CB 1.477 43.763 42.059 0.378 0.000 1.232 385 L HN 0.502 nan 8.230 nan 0.000 0.413 386 E N 6.319 126.569 120.200 0.082 0.000 2.249 386 E HA 0.640 4.976 4.350 -0.024 0.000 0.280 386 E C -0.697 175.922 176.600 0.033 0.000 1.016 386 E CA -0.313 56.113 56.400 0.043 0.000 0.830 386 E CB 1.454 31.176 29.700 0.038 0.000 1.081 386 E HN 0.681 nan 8.360 nan 0.000 0.395 387 M N -0.467 119.145 119.600 0.019 0.000 2.682 387 M HA 0.533 4.999 4.480 -0.024 0.000 0.272 387 M C -1.268 175.036 176.300 0.006 0.000 1.232 387 M CA -0.920 54.389 55.300 0.014 0.000 0.849 387 M CB 2.148 34.763 32.600 0.026 0.000 1.695 387 M HN 0.367 nan 8.290 nan 0.000 0.481 388 S N 0.576 116.278 115.700 0.004 0.000 2.570 388 S HA 0.898 5.354 4.470 -0.024 0.000 0.286 388 S C -1.098 173.503 174.600 0.002 0.000 1.099 388 S CA -0.868 57.333 58.200 0.001 0.000 0.913 388 S CB 2.662 65.861 63.200 -0.001 0.000 1.085 388 S HN 1.035 nan 8.310 nan 0.000 0.480 389 R N 0.661 121.161 120.500 -0.000 0.000 2.535 389 R HA 0.306 4.632 4.340 -0.024 0.000 0.274 389 R C -1.611 174.687 176.300 -0.003 0.000 1.090 389 R CA -0.470 55.630 56.100 0.000 0.000 0.930 389 R CB 1.350 31.650 30.300 0.001 0.000 1.223 389 R HN 0.652 nan 8.270 nan 0.000 0.441 390 Q N 3.318 123.116 119.800 -0.003 0.000 2.337 390 Q HA 0.163 4.489 4.340 -0.024 0.000 0.255 390 Q C -0.368 175.628 176.000 -0.007 0.000 0.997 390 Q CA -0.189 55.610 55.803 -0.006 0.000 0.925 390 Q CB 1.123 29.856 28.738 -0.007 0.000 1.212 390 Q HN 0.431 nan 8.270 nan 0.000 0.436 391 R N 2.623 123.118 120.500 -0.008 0.000 2.504 391 R HA -0.047 4.279 4.340 -0.024 0.000 0.291 391 R C 0.330 176.624 176.300 -0.011 0.000 0.974 391 R CA 0.180 56.276 56.100 -0.008 0.000 1.077 391 R CB 0.193 30.488 30.300 -0.008 0.000 0.926 391 R HN 0.678 nan 8.270 nan 0.000 0.407 392 L N 2.453 123.670 121.223 -0.009 0.000 2.313 392 L HA 0.016 4.342 4.340 -0.024 0.000 0.214 392 L C 1.011 177.872 176.870 -0.015 0.000 1.119 392 L CA 0.772 55.604 54.840 -0.013 0.000 0.809 392 L CB -0.046 42.005 42.059 -0.013 0.000 0.933 392 L HN 0.565 nan 8.230 nan 0.000 0.449 393 S N -0.793 114.898 115.700 -0.015 0.000 2.429 393 S HA 0.306 4.762 4.470 -0.024 0.000 0.302 393 S C -1.585 172.988 174.600 -0.046 0.000 1.115 393 S CA -1.636 56.548 58.200 -0.026 0.000 1.095 393 S CB 1.168 64.360 63.200 -0.013 0.000 0.987 393 S HN -0.145 nan 8.310 nan 0.000 0.474 394 P HA -0.153 nan 4.420 nan 0.000 0.226 394 P C 0.251 177.503 177.300 -0.079 0.000 1.154 394 P CA 1.113 64.158 63.100 -0.092 0.000 0.901 394 P CB -0.176 31.422 31.700 -0.170 0.000 0.788 395 S N 0.225 115.877 115.700 -0.080 0.000 2.784 395 S HA -0.050 4.405 4.470 -0.024 0.000 0.322 395 S C 0.381 174.962 174.600 -0.031 0.000 1.234 395 S CA 0.020 58.192 58.200 -0.047 0.000 1.064 395 S CB -0.380 62.803 63.200 -0.028 0.000 0.787 395 S HN -0.044 nan 8.310 nan 0.000 0.506 396 L N 3.987 125.194 121.223 -0.026 0.000 2.360 396 L HA 0.298 4.624 4.340 -0.024 0.000 0.276 396 L C 1.203 178.064 176.870 -0.014 0.000 1.121 396 L CA 0.359 55.186 54.840 -0.022 0.000 0.845 396 L CB 0.083 42.128 42.059 -0.025 0.000 1.143 396 L HN 0.760 nan 8.230 nan 0.000 0.452 397 G N 3.429 112.223 108.800 -0.011 0.000 2.378 397 G HA2 0.162 4.108 3.960 -0.024 0.000 0.255 397 G HA3 0.162 4.108 3.960 -0.024 0.000 0.255 397 G C -0.066 174.832 174.900 -0.004 0.000 1.270 397 G CA -0.371 44.728 45.100 -0.001 0.000 0.876 397 G HN 0.698 nan 8.290 nan 0.000 0.521 398 E N 1.963 122.170 120.200 0.011 0.000 2.130 398 E HA 0.271 4.607 4.350 -0.024 0.000 0.284 398 E C 0.199 176.819 176.600 0.033 0.000 1.018 398 E CA -0.301 56.102 56.400 0.006 0.000 0.817 398 E CB 0.658 30.368 29.700 0.016 0.000 1.078 398 E HN 0.362 nan 8.360 nan 0.000 0.396 399 S N 2.846 118.556 115.700 0.018 0.000 2.525 399 S HA -0.064 4.392 4.470 -0.024 0.000 0.285 399 S C 1.398 176.066 174.600 0.113 0.000 1.283 399 S CA 0.288 58.522 58.200 0.057 0.000 1.072 399 S CB 0.759 63.987 63.200 0.048 0.000 0.867 399 S HN 0.736 nan 8.310 nan 0.000 0.492 400 S N 4.174 119.960 115.700 0.143 0.000 2.401 400 S HA -0.165 4.290 4.470 -0.024 0.000 0.236 400 S C 0.731 175.431 174.600 0.167 0.000 1.058 400 S CA 1.434 59.761 58.200 0.211 0.000 1.151 400 S CB -0.482 62.877 63.200 0.265 0.000 1.049 400 S HN 0.874 nan 8.310 nan 0.000 0.432 401 H N -0.625 118.519 119.070 0.123 0.000 2.812 401 H HA 0.545 5.084 4.556 -0.029 0.000 0.355 401 H C -0.445 174.995 175.328 0.185 0.000 1.207 401 H CA -0.282 55.837 56.048 0.118 0.000 1.217 401 H CB 1.812 31.603 29.762 0.047 0.000 1.874 401 H HN 0.684 nan 8.280 nan 0.000 0.581 402 H N -2.150 117.000 119.070 0.133 0.000 2.987 402 H HA 0.114 4.647 4.556 -0.038 0.000 0.316 402 H C -1.277 174.085 175.328 0.058 0.000 1.380 402 H CA -0.694 55.398 56.048 0.073 0.000 1.160 402 H CB 0.203 29.989 29.762 0.039 0.000 1.865 402 H HN 0.305 nan 8.280 nan 0.000 0.521 403 V N 1.322 121.270 119.914 0.057 0.000 2.625 403 V HA -0.151 3.955 4.120 -0.024 0.000 0.305 403 V C 1.533 177.581 176.094 -0.078 0.000 1.055 403 V CA 0.400 62.701 62.300 0.003 0.000 1.209 403 V CB -0.378 31.481 31.823 0.060 0.000 0.877 403 V HN 0.811 nan 8.190 nan 0.000 0.489 404 C N 8.755 128.008 119.300 -0.077 0.000 2.634 404 C HA 0.187 4.633 4.460 -0.024 0.000 0.418 404 C C -0.392 174.601 174.990 0.005 0.000 1.373 404 C CA -0.837 58.144 59.018 -0.061 0.000 1.756 404 C CB 0.196 27.912 27.740 -0.039 0.000 2.589 404 C HN 0.860 nan 8.230 nan 0.000 0.602 405 P HA 0.055 nan 4.420 nan 0.000 0.226 405 P C 1.538 178.921 177.300 0.138 0.000 1.161 405 P CA 0.724 63.882 63.100 0.095 0.000 0.804 405 P CB -0.023 31.738 31.700 0.102 0.000 0.829 406 R N -1.024 119.528 120.500 0.087 0.000 2.148 406 R HA -0.022 4.304 4.340 -0.024 0.000 0.227 406 R C 1.505 177.784 176.300 -0.035 0.000 1.103 406 R CA 1.500 57.622 56.100 0.037 0.000 0.983 406 R CB -0.827 29.485 30.300 0.020 0.000 0.874 406 R HN 0.155 nan 8.270 nan 0.000 0.451 407 C N -2.105 117.189 119.300 -0.011 0.000 2.464 407 C HA 0.313 4.759 4.460 -0.024 0.000 0.348 407 C C 0.965 175.947 174.990 -0.014 0.000 1.367 407 C CA 0.472 59.476 59.018 -0.023 0.000 2.012 407 C CB 0.345 28.075 27.740 -0.017 0.000 2.434 407 C HN 0.586 nan 8.230 nan 0.000 0.536 408 S N -0.652 115.051 115.700 0.006 0.000 3.228 408 S HA -0.113 4.343 4.470 -0.024 0.000 0.282 408 S C 0.866 175.468 174.600 0.003 0.000 1.286 408 S CA 1.227 59.433 58.200 0.011 0.000 1.066 408 S CB -2.008 61.195 63.200 0.005 0.000 1.277 408 S HN 1.792 nan 8.310 nan 0.000 0.661 409 G N 0.003 108.802 108.800 -0.003 0.000 2.204 409 G HA2 -0.227 3.718 3.960 -0.024 0.000 0.244 409 G HA3 -0.227 3.718 3.960 -0.024 0.000 0.244 409 G C 0.556 175.451 174.900 -0.008 0.000 1.062 409 G CA 0.945 46.042 45.100 -0.006 0.000 0.798 409 G HN 1.465 nan 8.290 nan 0.000 0.496 410 T N -3.581 110.966 114.554 -0.011 0.000 3.044 410 T HA 0.410 4.745 4.350 -0.024 0.000 0.255 410 T C 2.570 177.262 174.700 -0.012 0.000 1.073 410 T CA 1.737 63.830 62.100 -0.012 0.000 1.125 410 T CB 0.251 69.110 68.868 -0.014 0.000 0.908 410 T HN 2.156 nan 8.240 nan 0.000 0.480 411 G N 0.557 109.349 108.800 -0.013 0.000 2.205 411 G HA2 -0.230 3.716 3.960 -0.024 0.000 0.261 411 G HA3 -0.230 3.716 3.960 -0.024 0.000 0.261 411 G C 0.239 175.131 174.900 -0.014 0.000 0.980 411 G CA 0.441 45.533 45.100 -0.013 0.000 0.632 411 G HN 0.893 nan 8.290 nan 0.000 0.533 412 T N -0.076 114.468 114.554 -0.017 0.000 2.829 412 T HA 0.639 4.975 4.350 -0.024 0.000 0.280 412 T C -0.601 174.084 174.700 -0.025 0.000 0.999 412 T CA -0.149 61.940 62.100 -0.019 0.000 0.983 412 T CB 1.916 70.774 68.868 -0.016 0.000 0.968 412 T HN 0.613 nan 8.240 nan 0.000 0.446 413 V N 5.518 125.416 119.914 -0.027 0.000 2.709 413 V HA 0.510 4.615 4.120 -0.024 0.000 0.308 413 V C 0.163 176.238 176.094 -0.032 0.000 1.062 413 V CA -1.134 61.145 62.300 -0.036 0.000 0.901 413 V CB 2.103 33.902 31.823 -0.039 0.000 1.003 413 V HN 0.875 nan 8.190 nan 0.000 0.425 414 R N 2.151 122.633 120.500 -0.030 0.000 2.697 414 R HA 0.081 4.406 4.340 -0.024 0.000 0.265 414 R C -0.343 175.933 176.300 -0.039 0.000 1.009 414 R CA -0.203 55.881 56.100 -0.027 0.000 1.099 414 R CB 0.257 30.548 30.300 -0.015 0.000 0.965 414 R HN 0.624 nan 8.270 nan 0.000 0.428 415 D N 0.973 121.343 120.400 -0.049 0.000 2.361 415 D HA -0.024 4.601 4.640 -0.024 0.000 0.239 415 D C 0.818 177.053 176.300 -0.109 0.000 1.200 415 D CA 0.146 54.101 54.000 -0.074 0.000 0.915 415 D CB 0.480 41.234 40.800 -0.077 0.000 1.170 415 D HN 0.483 nan 8.370 nan 0.000 0.444 416 N N -0.078 118.527 118.700 -0.159 0.000 2.453 416 N HA -0.130 4.595 4.740 -0.024 0.000 0.183 416 N C 0.902 176.180 175.510 -0.387 0.000 1.041 416 N CA 0.627 53.540 53.050 -0.229 0.000 0.900 416 N CB 0.343 38.684 38.487 -0.244 0.000 0.961 416 N HN 0.341 nan 8.380 nan 0.000 0.443 417 E N -0.045 119.922 120.200 -0.389 0.000 2.057 417 E HA -0.017 4.318 4.350 -0.024 0.000 0.190 417 E C 1.862 178.368 176.600 -0.158 0.000 0.969 417 E CA 0.489 56.632 56.400 -0.427 0.000 0.812 417 E CB -0.186 29.354 29.700 -0.265 0.000 0.777 417 E HN 0.055 nan 8.360 nan 0.000 0.455 418 S N -0.021 115.616 115.700 -0.105 0.000 2.419 418 S HA -0.101 4.355 4.470 -0.024 0.000 0.233 418 S C 1.775 176.347 174.600 -0.047 0.000 1.016 418 S CA 0.692 58.862 58.200 -0.051 0.000 0.974 418 S CB -0.059 63.117 63.200 -0.039 0.000 0.786 418 S HN 0.167 nan 8.310 nan 0.000 0.492 419 L N 1.057 122.239 121.223 -0.070 0.000 2.102 419 L HA 0.216 4.542 4.340 -0.024 0.000 0.202 419 L C 2.453 179.275 176.870 -0.080 0.000 1.076 419 L CA 1.713 56.521 54.840 -0.053 0.000 0.761 419 L CB -0.938 41.099 42.059 -0.037 0.000 0.921 419 L HN 0.215 nan 8.230 nan 0.000 0.444 420 S N -0.091 115.565 115.700 -0.074 0.000 2.359 420 S HA -0.195 4.261 4.470 -0.024 0.000 0.224 420 S C 1.948 176.545 174.600 -0.004 0.000 1.035 420 S CA 1.836 60.028 58.200 -0.014 0.000 1.018 420 S CB -0.605 62.675 63.200 0.133 0.000 0.876 420 S HN 0.411 nan 8.310 nan 0.000 0.448 421 L N 1.009 122.244 121.223 0.020 0.000 2.127 421 L HA -0.136 4.189 4.340 -0.024 0.000 0.211 421 L C 2.690 179.548 176.870 -0.019 0.000 1.089 421 L CA 1.155 56.007 54.840 0.019 0.000 0.757 421 L CB -0.505 41.570 42.059 0.027 0.000 0.899 421 L HN 0.312 nan 8.230 nan 0.000 0.434 422 S N -0.065 115.609 115.700 -0.043 0.000 2.371 422 S HA -0.073 4.383 4.470 -0.024 0.000 0.224 422 S C 1.927 176.460 174.600 -0.112 0.000 1.029 422 S CA 0.931 59.097 58.200 -0.056 0.000 0.978 422 S CB -0.116 63.062 63.200 -0.036 0.000 0.833 422 S HN 0.293 nan 8.310 nan 0.000 0.466 423 I N 1.028 121.478 120.570 -0.200 0.000 2.315 423 I HA -0.113 4.043 4.170 -0.024 0.000 0.248 423 I C 2.206 178.236 176.117 -0.145 0.000 1.117 423 I CA 0.419 61.541 61.300 -0.297 0.000 1.404 423 I CB -0.307 37.441 38.000 -0.421 0.000 1.071 423 I HN 0.286 nan 8.210 nan 0.000 0.419 424 L N 1.472 122.646 121.223 -0.082 0.000 1.963 424 L HA -0.279 4.047 4.340 -0.024 0.000 0.220 424 L C 2.792 179.641 176.870 -0.035 0.000 1.076 424 L CA 2.041 56.858 54.840 -0.039 0.000 0.772 424 L CB -0.688 41.364 42.059 -0.011 0.000 0.892 424 L HN 0.202 nan 8.230 nan 0.000 0.435 425 R N -1.166 119.315 120.500 -0.032 0.000 2.120 425 R HA -0.172 4.154 4.340 -0.024 0.000 0.234 425 R C 2.131 178.415 176.300 -0.026 0.000 1.123 425 R CA 1.367 57.454 56.100 -0.022 0.000 0.975 425 R CB -1.024 29.267 30.300 -0.015 0.000 0.866 425 R HN 0.300 nan 8.270 nan 0.000 0.446 426 L N 1.717 122.915 121.223 -0.041 0.000 2.046 426 L HA -0.098 4.228 4.340 -0.024 0.000 0.208 426 L C 2.079 178.930 176.870 -0.032 0.000 1.077 426 L CA 1.420 56.238 54.840 -0.036 0.000 0.747 426 L CB -0.384 41.641 42.059 -0.058 0.000 0.896 426 L HN 0.116 nan 8.230 nan 0.000 0.432 427 I N -0.512 120.035 120.570 -0.039 0.000 2.142 427 I HA -0.314 3.842 4.170 -0.024 0.000 0.240 427 I C 2.516 178.625 176.117 -0.013 0.000 1.078 427 I CA 1.708 62.995 61.300 -0.021 0.000 1.343 427 I CB -0.309 37.681 38.000 -0.016 0.000 1.046 427 I HN 0.366 nan 8.210 nan 0.000 0.405 428 E N 1.174 121.366 120.200 -0.013 0.000 2.110 428 E HA -0.272 4.063 4.350 -0.024 0.000 0.193 428 E C 2.185 178.779 176.600 -0.009 0.000 0.988 428 E CA 1.792 58.186 56.400 -0.009 0.000 0.804 428 E CB -0.022 29.673 29.700 -0.008 0.000 0.745 428 E HN 0.508 nan 8.360 nan 0.000 0.458 429 E N 1.089 121.282 120.200 -0.011 0.000 2.153 429 E HA -0.222 4.114 4.350 -0.024 0.000 0.194 429 E C 1.820 178.412 176.600 -0.012 0.000 0.988 429 E CA 1.470 57.864 56.400 -0.010 0.000 0.811 429 E CB -0.574 29.121 29.700 -0.009 0.000 0.746 429 E HN 0.322 nan 8.360 nan 0.000 0.466 430 E N -0.465 119.726 120.200 -0.015 0.000 2.112 430 E HA 0.107 4.443 4.350 -0.024 0.000 0.190 430 E C 2.399 178.989 176.600 -0.018 0.000 0.979 430 E CA 1.021 57.409 56.400 -0.019 0.000 0.814 430 E CB -0.224 29.461 29.700 -0.025 0.000 0.762 430 E HN 0.540 nan 8.360 nan 0.000 0.460 431 A N 0.978 123.790 122.820 -0.013 0.000 2.121 431 A HA -0.083 4.223 4.320 -0.024 0.000 0.218 431 A C 2.108 179.687 177.584 -0.008 0.000 1.154 431 A CA 0.659 52.690 52.037 -0.010 0.000 0.679 431 A CB -0.296 18.702 19.000 -0.004 0.000 0.795 431 A HN 0.208 nan 8.150 nan 0.000 0.458 432 L N -0.747 120.471 121.223 -0.008 0.000 2.509 432 L HA 0.191 4.517 4.340 -0.024 0.000 0.222 432 L C 0.566 177.432 176.870 -0.008 0.000 1.123 432 L CA 0.505 55.341 54.840 -0.007 0.000 0.856 432 L CB -0.126 41.929 42.059 -0.006 0.000 0.985 432 L HN 0.084 nan 8.230 nan 0.000 0.456 433 K N 2.197 122.591 120.400 -0.010 0.000 2.412 433 K HA 0.247 4.552 4.320 -0.024 0.000 0.281 433 K C 0.395 176.989 176.600 -0.010 0.000 1.027 433 K CA 0.502 56.783 56.287 -0.011 0.000 0.989 433 K CB 0.238 32.729 32.500 -0.015 0.000 0.935 433 K HN 0.327 nan 8.250 nan 0.000 0.475 434 E N 2.226 122.421 120.200 -0.008 0.000 2.442 434 E HA -0.102 4.234 4.350 -0.024 0.000 0.262 434 E C 0.465 177.060 176.600 -0.008 0.000 1.004 434 E CA 0.307 56.703 56.400 -0.007 0.000 0.928 434 E CB -0.049 29.648 29.700 -0.005 0.000 0.937 434 E HN 0.793 nan 8.360 nan 0.000 0.446 435 N N -0.272 118.424 118.700 -0.007 0.000 2.901 435 N HA -0.151 4.575 4.740 -0.024 0.000 0.248 435 N C -0.405 175.098 175.510 -0.011 0.000 1.044 435 N CA 1.355 54.400 53.050 -0.008 0.000 0.847 435 N CB -1.638 36.845 38.487 -0.007 0.000 1.127 435 N HN 0.636 nan 8.380 nan 0.000 0.562 436 T N 0.492 115.038 114.554 -0.013 0.000 2.771 436 T HA 0.230 4.566 4.350 -0.024 0.000 0.291 436 T C 1.127 175.817 174.700 -0.016 0.000 0.954 436 T CA -0.210 61.878 62.100 -0.020 0.000 1.045 436 T CB 1.800 70.655 68.868 -0.022 0.000 0.917 436 T HN 0.250 nan 8.240 nan 0.000 0.484 437 Q N 2.768 122.556 119.800 -0.020 0.000 2.178 437 Q HA 0.180 4.505 4.340 -0.024 0.000 0.195 437 Q C 0.175 176.171 176.000 -0.008 0.000 0.960 437 Q CA 1.256 57.053 55.803 -0.010 0.000 0.843 437 Q CB 0.542 29.276 28.738 -0.006 0.000 0.927 437 Q HN 0.775 nan 8.270 nan 0.000 0.487 438 E N -1.195 118.982 120.200 -0.037 0.000 2.416 438 E HA 0.547 4.883 4.350 -0.024 0.000 0.273 438 E C -1.994 174.544 176.600 -0.103 0.000 0.935 438 E CA -0.824 55.554 56.400 -0.036 0.000 0.784 438 E CB 2.886 32.585 29.700 -0.002 0.000 1.301 438 E HN -0.039 nan 8.360 nan 0.000 0.454 439 V N 2.147 122.038 119.914 -0.038 0.000 2.525 439 V HA 0.331 4.437 4.120 -0.024 0.000 0.299 439 V C -1.644 174.516 176.094 0.111 0.000 1.034 439 V CA -0.392 61.881 62.300 -0.045 0.000 0.863 439 V CB 1.199 33.016 31.823 -0.009 0.000 0.999 439 V HN 0.691 nan 8.190 nan 0.000 0.423 440 H N 5.780 124.876 119.070 0.044 0.000 2.556 440 H HA 0.685 5.227 4.556 -0.024 0.000 0.310 440 H C 0.224 175.594 175.328 0.070 0.000 1.057 440 H CA -0.248 55.843 56.048 0.072 0.000 1.264 440 H CB 1.704 31.542 29.762 0.127 0.000 1.404 440 H HN 0.854 nan 8.280 nan 0.000 0.462 441 A N 5.236 128.170 122.820 0.189 0.000 2.260 441 A HA 0.344 4.650 4.320 -0.024 0.000 0.312 441 A C -0.079 177.600 177.584 0.158 0.000 1.321 441 A CA -0.607 51.515 52.037 0.142 0.000 0.928 441 A CB -0.259 18.782 19.000 0.069 0.000 1.158 441 A HN 0.723 nan 8.150 nan 0.000 0.542 442 I N 4.449 125.146 120.570 0.212 0.000 2.307 442 I HA 0.354 4.510 4.170 -0.024 0.000 0.287 442 I C -0.040 176.204 176.117 0.211 0.000 1.054 442 I CA -0.436 60.978 61.300 0.189 0.000 1.218 442 I CB 0.949 39.059 38.000 0.183 0.000 1.398 442 I HN 0.484 nan 8.210 nan 0.000 0.475 443 V N 4.077 124.087 119.914 0.161 0.000 3.046 443 V HA 0.726 4.832 4.120 -0.024 0.000 0.316 443 V C -2.770 173.403 176.094 0.132 0.000 1.104 443 V CA -2.827 59.574 62.300 0.168 0.000 1.006 443 V CB 1.562 33.453 31.823 0.114 0.000 1.058 443 V HN 0.289 nan 8.190 nan 0.000 0.440 444 P HA 0.236 nan 4.420 nan 0.000 0.270 444 P C 1.033 178.381 177.300 0.080 0.000 1.223 444 P CA -0.055 63.106 63.100 0.102 0.000 0.785 444 P CB 0.801 32.563 31.700 0.103 0.000 0.923 445 V N 3.791 123.744 119.914 0.065 0.000 2.287 445 V HA -0.156 3.950 4.120 -0.024 0.000 0.248 445 V C -0.556 175.573 176.094 0.058 0.000 1.053 445 V CA 2.442 64.776 62.300 0.056 0.000 1.027 445 V CB -2.168 29.680 31.823 0.043 0.000 0.646 445 V HN 0.723 nan 8.190 nan 0.000 0.447 446 P HA -0.097 nan 4.420 nan 0.000 0.223 446 P C 1.709 179.058 177.300 0.082 0.000 1.151 446 P CA 1.265 64.401 63.100 0.060 0.000 0.787 446 P CB -0.041 31.683 31.700 0.039 0.000 0.788 447 I N 0.465 121.079 120.570 0.072 0.000 2.233 447 I HA -0.113 4.043 4.170 -0.024 0.000 0.243 447 I C 2.533 178.714 176.117 0.107 0.000 1.093 447 I CA 1.230 62.580 61.300 0.083 0.000 1.380 447 I CB -1.989 36.048 38.000 0.062 0.000 1.067 447 I HN -0.073 nan 8.210 nan 0.000 0.413 448 A N 0.221 123.093 122.820 0.085 0.000 1.933 448 A HA -0.217 4.089 4.320 -0.024 0.000 0.218 448 A C 2.638 180.266 177.584 0.072 0.000 1.175 448 A CA 2.161 54.242 52.037 0.073 0.000 0.628 448 A CB -0.834 18.205 19.000 0.064 0.000 0.814 448 A HN 0.411 nan 8.150 nan 0.000 0.444 449 S N -2.027 113.722 115.700 0.081 0.000 2.356 449 S HA -0.209 4.247 4.470 -0.024 0.000 0.223 449 S C 1.899 176.557 174.600 0.097 0.000 1.032 449 S CA 1.723 59.968 58.200 0.075 0.000 1.005 449 S CB -0.513 62.733 63.200 0.076 0.000 0.867 449 S HN 0.668 nan 8.310 nan 0.000 0.449 450 Y N 1.452 121.755 120.300 0.005 0.000 2.200 450 Y HA 0.057 4.593 4.550 -0.023 0.000 0.290 450 Y C 1.982 177.881 175.900 -0.002 0.000 1.137 450 Y CA 1.493 59.593 58.100 0.001 0.000 1.163 450 Y CB -0.244 38.216 38.460 -0.000 0.000 0.988 450 Y HN 0.230 nan 8.280 nan 0.000 0.518 451 L N -0.548 120.757 121.223 0.137 0.000 2.056 451 L HA -0.209 4.116 4.340 -0.024 0.000 0.207 451 L C 1.812 178.665 176.870 -0.028 0.000 1.078 451 L CA 1.232 56.100 54.840 0.048 0.000 0.749 451 L CB -0.335 41.764 42.059 0.066 0.000 0.901 451 L HN 0.259 nan 8.230 nan 0.000 0.433 452 L N -0.933 120.282 121.223 -0.013 0.000 2.607 452 L HA 0.080 4.406 4.340 -0.024 0.000 0.228 452 L C 1.441 178.285 176.870 -0.043 0.000 1.123 452 L CA -0.161 54.668 54.840 -0.019 0.000 0.890 452 L CB -0.159 41.903 42.059 0.005 0.000 1.103 452 L HN 0.289 nan 8.230 nan 0.000 0.468 453 N N -0.466 118.185 118.700 -0.082 0.000 2.984 453 N HA 0.001 4.727 4.740 -0.024 0.000 0.235 453 N C 1.411 176.820 175.510 -0.168 0.000 1.025 453 N CA 0.289 53.279 53.050 -0.100 0.000 1.173 453 N CB 0.096 38.538 38.487 -0.075 0.000 1.615 453 N HN -0.017 nan 8.380 nan 0.000 0.560 454 E N 1.235 121.252 120.200 -0.305 0.000 2.118 454 E HA -0.059 4.277 4.350 -0.024 0.000 0.195 454 E C 0.572 176.970 176.600 -0.338 0.000 0.992 454 E CA 1.269 57.419 56.400 -0.417 0.000 0.804 454 E CB 0.154 29.332 29.700 -0.870 0.000 0.741 454 E HN 0.083 nan 8.360 nan 0.000 0.458 455 K N -0.116 120.097 120.400 -0.311 0.000 2.455 455 K HA 0.194 4.500 4.320 -0.024 0.000 0.206 455 K C 1.137 177.683 176.600 -0.091 0.000 1.027 455 K CA -0.088 56.099 56.287 -0.167 0.000 1.113 455 K CB 0.470 32.901 32.500 -0.116 0.000 0.850 455 K HN 0.013 nan 8.250 nan 0.000 0.503 456 R N 0.661 121.107 120.500 -0.089 0.000 2.091 456 R HA -0.100 4.226 4.340 -0.024 0.000 0.238 456 R C 1.718 177.996 176.300 -0.037 0.000 1.136 456 R CA 1.727 57.797 56.100 -0.051 0.000 0.959 456 R CB 0.091 30.363 30.300 -0.047 0.000 0.856 456 R HN -0.004 nan 8.270 nan 0.000 0.437 457 S N -0.004 115.670 115.700 -0.042 0.000 2.365 457 S HA -0.210 4.246 4.470 -0.024 0.000 0.225 457 S C 1.873 176.459 174.600 -0.023 0.000 1.039 457 S CA 1.531 59.713 58.200 -0.030 0.000 1.033 457 S CB -0.233 62.947 63.200 -0.032 0.000 0.887 457 S HN 0.601 nan 8.310 nan 0.000 0.447 458 A N 0.476 123.281 122.820 -0.026 0.000 1.968 458 A HA 0.019 4.324 4.320 -0.024 0.000 0.217 458 A C 2.253 179.829 177.584 -0.012 0.000 1.169 458 A CA 1.202 53.229 52.037 -0.017 0.000 0.638 458 A CB -0.573 18.417 19.000 -0.016 0.000 0.812 458 A HN 0.374 nan 8.150 nan 0.000 0.446 459 V N 0.976 120.882 119.914 -0.014 0.000 2.358 459 V HA -0.231 3.875 4.120 -0.024 0.000 0.246 459 V C 2.237 178.329 176.094 -0.002 0.000 1.047 459 V CA 1.942 64.239 62.300 -0.005 0.000 1.035 459 V CB -0.952 30.868 31.823 -0.004 0.000 0.658 459 V HN 0.530 nan 8.190 nan 0.000 0.452 460 N N 0.908 119.605 118.700 -0.006 0.000 2.104 460 N HA -0.148 4.578 4.740 -0.024 0.000 0.190 460 N C 1.932 177.441 175.510 -0.002 0.000 1.024 460 N CA 1.761 54.809 53.050 -0.003 0.000 0.853 460 N CB -0.502 37.981 38.487 -0.006 0.000 1.008 460 N HN 0.499 nan 8.380 nan 0.000 0.424 461 A N 1.055 123.872 122.820 -0.005 0.000 1.978 461 A HA -0.081 4.225 4.320 -0.024 0.000 0.220 461 A C 2.330 179.913 177.584 -0.002 0.000 1.170 461 A CA 0.906 52.941 52.037 -0.004 0.000 0.636 461 A CB -0.586 18.411 19.000 -0.006 0.000 0.810 461 A HN 0.228 nan 8.150 nan 0.000 0.448 462 I N -0.847 119.723 120.570 -0.001 0.000 2.202 462 I HA -0.221 3.935 4.170 -0.024 0.000 0.242 462 I C 2.473 178.592 176.117 0.003 0.000 1.091 462 I CA 1.508 62.808 61.300 0.001 0.000 1.368 462 I CB -0.370 37.630 38.000 0.001 0.000 1.058 462 I HN 0.371 nan 8.210 nan 0.000 0.410 463 E N -0.225 119.978 120.200 0.005 0.000 2.150 463 E HA -0.220 4.115 4.350 -0.024 0.000 0.193 463 E C 2.133 178.737 176.600 0.006 0.000 0.985 463 E CA 1.657 58.062 56.400 0.008 0.000 0.814 463 E CB -0.030 29.677 29.700 0.011 0.000 0.752 463 E HN 0.392 nan 8.360 nan 0.000 0.466 464 T N -0.542 114.014 114.554 0.003 0.000 3.054 464 T HA 0.015 4.350 4.350 -0.024 0.000 0.259 464 T C 1.719 176.420 174.700 0.002 0.000 1.092 464 T CA 0.472 62.574 62.100 0.002 0.000 1.121 464 T CB 0.132 69.000 68.868 0.001 0.000 0.912 464 T HN -0.006 nan 8.240 nan 0.000 0.489 465 R N 0.090 120.591 120.500 0.001 0.000 2.127 465 R HA 0.162 4.488 4.340 -0.024 0.000 0.217 465 R C 0.576 176.877 176.300 0.001 0.000 1.074 465 R CA 0.612 56.712 56.100 0.000 0.000 0.991 465 R CB 0.193 30.493 30.300 -0.000 0.000 0.895 465 R HN 0.343 nan 8.270 nan 0.000 0.450 466 Q N 1.663 121.464 119.800 0.002 0.000 3.091 466 Q HA 0.079 4.405 4.340 -0.024 0.000 0.301 466 Q C -1.095 174.907 176.000 0.004 0.000 1.337 466 Q CA -0.155 55.649 55.803 0.002 0.000 1.083 466 Q CB 0.321 29.060 28.738 0.002 0.000 1.477 466 Q HN 0.048 nan 8.270 nan 0.000 0.537 467 D N 0.565 120.967 120.400 0.003 0.000 2.479 467 D HA 0.116 4.742 4.640 -0.024 0.000 0.257 467 D C 1.187 177.490 176.300 0.005 0.000 1.230 467 D CA 1.743 55.745 54.000 0.004 0.000 0.912 467 D CB 0.017 40.819 40.800 0.003 0.000 1.130 467 D HN 0.675 nan 8.370 nan 0.000 0.515 468 G N 2.208 111.012 108.800 0.007 0.000 2.211 468 G HA2 -0.189 3.756 3.960 -0.024 0.000 0.201 468 G HA3 -0.189 3.756 3.960 -0.024 0.000 0.201 468 G C 0.089 174.996 174.900 0.011 0.000 0.997 468 G CA 0.002 45.107 45.100 0.009 0.000 0.652 468 G HN 0.588 nan 8.290 nan 0.000 0.500 469 V N 1.661 121.581 119.914 0.011 0.000 2.364 469 V HA 0.746 4.852 4.120 -0.024 0.000 0.272 469 V C 0.943 177.051 176.094 0.024 0.000 1.036 469 V CA 0.064 62.372 62.300 0.013 0.000 0.880 469 V CB 0.800 32.627 31.823 0.006 0.000 0.991 469 V HN 0.824 nan 8.190 nan 0.000 0.460 470 R N 3.018 123.540 120.500 0.037 0.000 2.248 470 R HA 0.404 4.730 4.340 -0.024 0.000 0.328 470 R C -0.260 176.086 176.300 0.077 0.000 1.067 470 R CA -0.285 55.849 56.100 0.057 0.000 0.924 470 R CB -0.022 30.324 30.300 0.076 0.000 1.013 470 R HN 0.865 nan 8.270 nan 0.000 0.454 471 C N 3.416 122.755 119.300 0.065 0.000 2.281 471 C HA 0.493 4.939 4.460 -0.024 0.000 0.336 471 C C 0.205 175.248 174.990 0.088 0.000 1.217 471 C CA -0.986 58.076 59.018 0.073 0.000 1.730 471 C CB -0.071 27.695 27.740 0.043 0.000 2.338 471 C HN 0.676 nan 8.230 nan 0.000 0.521 472 V N 6.199 126.197 119.914 0.140 0.000 2.313 472 V HA 0.364 4.470 4.120 -0.024 0.000 0.278 472 V C 0.018 176.162 176.094 0.084 0.000 1.017 472 V CA -0.098 62.261 62.300 0.097 0.000 0.823 472 V CB 0.853 32.706 31.823 0.050 0.000 1.010 472 V HN 0.715 nan 8.190 nan 0.000 0.443 473 I N 5.472 126.077 120.570 0.058 0.000 2.337 473 I HA 0.355 4.511 4.170 -0.024 0.000 0.285 473 I C -0.255 175.894 176.117 0.055 0.000 1.041 473 I CA -0.436 60.899 61.300 0.059 0.000 1.199 473 I CB 1.689 39.717 38.000 0.046 0.000 1.370 473 I HN 0.396 nan 8.210 nan 0.000 0.470 474 V N 9.668 129.620 119.914 0.063 0.000 2.347 474 V HA 0.505 4.611 4.120 -0.024 0.000 0.280 474 V C -2.118 174.022 176.094 0.077 0.000 1.021 474 V CA -2.180 60.158 62.300 0.064 0.000 0.847 474 V CB 1.736 33.587 31.823 0.048 0.000 0.990 474 V HN 0.449 nan 8.190 nan 0.000 0.444 475 P HA 0.163 nan 4.420 nan 0.000 0.271 475 P C -1.065 176.277 177.300 0.071 0.000 1.226 475 P CA 0.085 63.226 63.100 0.069 0.000 0.765 475 P CB 0.530 32.263 31.700 0.055 0.000 0.835 476 N N 2.917 121.660 118.700 0.071 0.000 2.573 476 N HA 0.076 4.802 4.740 -0.024 0.000 0.262 476 N C 0.262 175.805 175.510 0.055 0.000 1.029 476 N CA -0.558 52.531 53.050 0.065 0.000 0.882 476 N CB 0.499 39.028 38.487 0.070 0.000 1.204 476 N HN 0.207 nan 8.380 nan 0.000 0.519 477 D N 1.766 122.192 120.400 0.043 0.000 2.378 477 D HA -0.066 4.560 4.640 -0.024 0.000 0.227 477 D C 0.543 176.861 176.300 0.030 0.000 1.012 477 D CA 0.715 54.736 54.000 0.035 0.000 0.905 477 D CB 0.333 41.148 40.800 0.025 0.000 0.895 477 D HN 0.366 nan 8.370 nan 0.000 0.532 478 Q N -0.542 119.276 119.800 0.030 0.000 2.408 478 Q HA 0.248 4.574 4.340 -0.024 0.000 0.205 478 Q C 0.489 176.501 176.000 0.019 0.000 0.919 478 Q CA 0.328 56.142 55.803 0.018 0.000 0.932 478 Q CB 0.395 29.139 28.738 0.009 0.000 1.058 478 Q HN 0.454 nan 8.270 nan 0.000 0.517 479 M N 0.705 120.330 119.600 0.041 0.000 2.537 479 M HA 0.249 4.715 4.480 -0.024 0.000 0.324 479 M C 0.255 176.610 176.300 0.091 0.000 1.187 479 M CA -0.463 54.877 55.300 0.066 0.000 0.993 479 M CB 2.025 34.682 32.600 0.096 0.000 1.666 479 M HN -0.048 nan 8.290 nan 0.000 0.461 480 E N -0.580 119.701 120.200 0.135 0.000 2.450 480 E HA 0.362 4.697 4.350 -0.024 0.000 0.248 480 E C 0.094 176.776 176.600 0.138 0.000 0.930 480 E CA -0.707 55.767 56.400 0.123 0.000 0.854 480 E CB 1.085 30.841 29.700 0.095 0.000 1.355 480 E HN 0.605 nan 8.360 nan 0.000 0.402 481 T N -0.899 113.696 114.554 0.069 0.000 3.023 481 T HA 0.073 4.409 4.350 -0.024 0.000 0.266 481 T C -0.886 173.816 174.700 0.004 0.000 1.093 481 T CA 0.829 62.955 62.100 0.042 0.000 1.129 481 T CB -0.854 68.025 68.868 0.018 0.000 0.899 481 T HN 0.346 nan 8.240 nan 0.000 0.491 482 P HA -0.003 nan 4.420 nan 0.000 0.220 482 P C 0.215 177.362 177.300 -0.255 0.000 1.152 482 P CA 0.833 63.804 63.100 -0.215 0.000 0.812 482 P CB -0.185 31.287 31.700 -0.381 0.000 0.792 483 H N 0.118 119.200 119.070 0.020 0.000 2.562 483 H HA 0.306 4.847 4.556 -0.026 0.000 0.352 483 H C 0.380 175.747 175.328 0.066 0.000 1.125 483 H CA 0.325 56.347 56.048 -0.042 0.000 1.379 483 H CB 0.404 30.156 29.762 -0.016 0.000 1.464 483 H HN 0.204 nan 8.280 nan 0.000 0.563 484 Y N -1.318 119.111 120.300 0.214 0.000 2.953 484 Y HA 0.511 5.047 4.550 -0.022 0.000 0.321 484 Y C -1.526 174.539 175.900 0.275 0.000 1.514 484 Y CA -1.191 57.019 58.100 0.184 0.000 1.091 484 Y CB 1.361 39.888 38.460 0.111 0.000 1.700 484 Y HN 0.601 nan 8.280 nan 0.000 0.436 485 H N -0.712 118.640 119.070 0.470 0.000 3.129 485 H HA 0.709 5.251 4.556 -0.025 0.000 0.342 485 H C -2.099 173.388 175.328 0.264 0.000 1.092 485 H CA -0.862 55.349 56.048 0.272 0.000 1.310 485 H CB 2.241 32.080 29.762 0.130 0.000 1.932 485 H HN 0.731 nan 8.280 nan 0.000 0.507 486 V N 5.858 125.775 119.914 0.004 0.000 2.380 486 V HA 0.342 4.448 4.120 -0.024 0.000 0.286 486 V C -0.799 175.262 176.094 -0.055 0.000 1.015 486 V CA -0.543 61.774 62.300 0.029 0.000 0.834 486 V CB 0.953 32.795 31.823 0.031 0.000 1.009 486 V HN 0.455 nan 8.190 nan 0.000 0.428 487 L N 4.589 125.803 121.223 -0.015 0.000 2.331 487 L HA 0.641 4.966 4.340 -0.024 0.000 0.275 487 L C 0.218 177.013 176.870 -0.126 0.000 1.022 487 L CA -0.238 54.543 54.840 -0.097 0.000 0.812 487 L CB 1.502 43.435 42.059 -0.210 0.000 1.257 487 L HN 0.500 nan 8.230 nan 0.000 0.435 488 R N 1.426 121.851 120.500 -0.125 0.000 2.393 488 R HA 0.708 5.033 4.340 -0.024 0.000 0.310 488 R C -1.603 174.616 176.300 -0.136 0.000 0.968 488 R CA -0.580 55.449 56.100 -0.118 0.000 0.867 488 R CB 1.408 31.665 30.300 -0.072 0.000 1.124 488 R HN 0.450 nan 8.270 nan 0.000 0.450 489 V N 5.876 125.690 119.914 -0.167 0.000 2.334 489 V HA 0.377 4.483 4.120 -0.024 0.000 0.281 489 V C 0.202 176.254 176.094 -0.069 0.000 1.016 489 V CA -0.828 61.393 62.300 -0.131 0.000 0.832 489 V CB 1.221 32.919 31.823 -0.209 0.000 0.999 489 V HN 0.787 nan 8.190 nan 0.000 0.439 490 R N 1.956 122.433 120.500 -0.038 0.000 2.641 490 R HA 0.273 4.599 4.340 -0.024 0.000 0.269 490 R C 0.103 176.395 176.300 -0.013 0.000 1.074 490 R CA -0.666 55.421 56.100 -0.022 0.000 1.133 490 R CB 0.404 30.696 30.300 -0.013 0.000 1.029 490 R HN 0.438 nan 8.270 nan 0.000 0.488 491 K N 1.268 121.663 120.400 -0.009 0.000 2.430 491 K HA 0.124 4.429 4.320 -0.024 0.000 0.280 491 K C 1.116 177.717 176.600 0.001 0.000 1.063 491 K CA 0.780 57.065 56.287 -0.003 0.000 1.071 491 K CB 0.087 32.586 32.500 -0.002 0.000 0.899 491 K HN 0.973 nan 8.250 nan 0.000 0.473 492 G N 2.093 110.896 108.800 0.004 0.000 2.238 492 G HA2 -0.266 3.680 3.960 -0.024 0.000 0.217 492 G HA3 -0.266 3.680 3.960 -0.024 0.000 0.217 492 G C 0.461 175.366 174.900 0.009 0.000 0.996 492 G CA 0.189 45.292 45.100 0.006 0.000 0.632 492 G HN 0.720 nan 8.290 nan 0.000 0.503 493 E N 1.054 121.260 120.200 0.010 0.000 2.499 493 E HA 0.316 4.652 4.350 -0.024 0.000 0.199 493 E C 0.482 177.097 176.600 0.026 0.000 1.016 493 E CA -0.117 56.292 56.400 0.016 0.000 0.933 493 E CB 0.143 29.853 29.700 0.016 0.000 1.050 493 E HN 0.569 nan 8.360 nan 0.000 0.462 494 E N 1.890 122.106 120.200 0.026 0.000 2.331 494 E HA 0.118 4.454 4.350 -0.024 0.000 0.272 494 E C -0.086 176.537 176.600 0.037 0.000 1.036 494 E CA -0.313 56.114 56.400 0.046 0.000 0.864 494 E CB 1.195 30.925 29.700 0.049 0.000 1.035 494 E HN 0.108 nan 8.360 nan 0.000 0.408 495 T N -1.096 113.484 114.554 0.043 0.000 2.952 495 T HA 0.484 4.820 4.350 -0.024 0.000 0.286 495 T C -1.875 172.827 174.700 0.004 0.000 1.024 495 T CA -1.763 60.344 62.100 0.012 0.000 1.029 495 T CB 1.396 70.258 68.868 -0.010 0.000 1.094 495 T HN 0.393 nan 8.240 nan 0.000 0.515 496 P HA 0.220 nan 4.420 nan 0.000 0.244 496 P C -0.208 177.060 177.300 -0.052 0.000 1.632 496 P CA -0.337 62.749 63.100 -0.023 0.000 0.944 496 P CB -0.676 31.012 31.700 -0.019 0.000 1.569 497 T N 1.056 115.568 114.554 -0.071 0.000 2.918 497 T HA 0.206 4.541 4.350 -0.024 0.000 0.302 497 T C 0.729 175.328 174.700 -0.169 0.000 1.045 497 T CA -0.120 61.904 62.100 -0.127 0.000 1.114 497 T CB 0.682 69.462 68.868 -0.147 0.000 0.965 497 T HN 0.011 nan 8.240 nan 0.000 0.540 498 L N 2.487 123.557 121.223 -0.254 0.000 2.439 498 L HA 0.111 4.437 4.340 -0.024 0.000 0.269 498 L C 2.142 178.788 176.870 -0.375 0.000 1.179 498 L CA -0.363 54.273 54.840 -0.341 0.000 0.828 498 L CB 0.595 42.307 42.059 -0.578 0.000 1.106 498 L HN 0.924 nan 8.230 nan 0.000 0.467 499 S N 2.035 117.594 115.700 -0.235 0.000 2.368 499 S HA -0.306 4.150 4.470 -0.024 0.000 0.226 499 S C 1.653 176.182 174.600 -0.118 0.000 1.044 499 S CA 1.897 60.012 58.200 -0.142 0.000 1.062 499 S CB -0.910 62.284 63.200 -0.011 0.000 0.931 499 S HN 0.708 nan 8.310 nan 0.000 0.440 500 Y N -0.395 119.880 120.300 -0.042 0.000 2.632 500 Y HA 0.438 4.974 4.550 -0.024 0.000 0.301 500 Y C 1.743 177.624 175.900 -0.032 0.000 1.172 500 Y CA 0.017 58.099 58.100 -0.029 0.000 1.328 500 Y CB -0.348 38.102 38.460 -0.018 0.000 1.016 500 Y HN 0.154 nan 8.280 nan 0.000 0.529 501 M N 0.315 119.702 119.600 -0.355 0.000 2.405 501 M HA 0.248 4.714 4.480 -0.024 0.000 0.292 501 M C 0.911 177.102 176.300 -0.182 0.000 1.111 501 M CA 0.133 55.283 55.300 -0.250 0.000 0.979 501 M CB 0.175 32.556 32.600 -0.365 0.000 1.426 501 M HN 0.492 nan 8.290 nan 0.000 0.509 502 L N 0.256 121.384 121.223 -0.158 0.000 2.162 502 L HA -0.031 4.295 4.340 -0.024 0.000 0.205 502 L C -0.497 176.353 176.870 -0.034 0.000 1.086 502 L CA 0.985 55.737 54.840 -0.146 0.000 0.778 502 L CB -1.852 40.118 42.059 -0.148 0.000 0.928 502 L HN 0.141 nan 8.230 nan 0.000 0.446 503 P HA -0.208 nan 4.420 nan 0.000 0.216 503 P C 1.522 178.830 177.300 0.013 0.000 1.150 503 P CA 2.017 65.144 63.100 0.045 0.000 0.843 503 P CB 0.003 31.725 31.700 0.037 0.000 0.787 504 K N -0.476 119.913 120.400 -0.019 0.000 2.228 504 K HA 0.022 4.328 4.320 -0.024 0.000 0.202 504 K C 1.858 178.430 176.600 -0.048 0.000 1.051 504 K CA 1.327 57.598 56.287 -0.026 0.000 0.960 504 K CB -1.593 30.892 32.500 -0.025 0.000 0.743 504 K HN 0.153 nan 8.250 nan 0.000 0.458 505 L N -0.609 120.554 121.223 -0.100 0.000 2.162 505 L HA 0.144 4.469 4.340 -0.024 0.000 0.205 505 L C 1.895 178.683 176.870 -0.136 0.000 1.086 505 L CA 1.542 56.290 54.840 -0.153 0.000 0.778 505 L CB -0.142 41.764 42.059 -0.255 0.000 0.928 505 L HN 0.453 nan 8.230 nan 0.000 0.446 506 H N -0.568 118.505 119.070 0.005 0.000 2.547 506 H HA 0.032 4.574 4.556 -0.024 0.000 0.266 506 H C 2.026 177.340 175.328 -0.024 0.000 0.988 506 H CA 0.789 56.844 56.048 0.012 0.000 1.147 506 H CB -0.025 29.759 29.762 0.038 0.000 1.365 506 H HN 0.413 nan 8.280 nan 0.000 0.589 507 E N 0.801 121.036 120.200 0.059 0.000 2.164 507 E HA -0.323 4.013 4.350 -0.024 0.000 0.206 507 E C 2.503 179.112 176.600 0.015 0.000 1.032 507 E CA 1.773 58.180 56.400 0.012 0.000 0.832 507 E CB -0.210 29.488 29.700 -0.004 0.000 0.742 507 E HN 0.939 nan 8.360 nan 0.000 0.460 508 E N -0.589 119.631 120.200 0.033 0.000 2.058 508 E HA -0.113 4.223 4.350 -0.024 0.000 0.194 508 E C 2.143 178.766 176.600 0.038 0.000 0.997 508 E CA 2.044 58.463 56.400 0.032 0.000 0.801 508 E CB -0.894 28.829 29.700 0.038 0.000 0.746 508 E HN 0.597 nan 8.360 nan 0.000 0.450 509 A N 0.611 123.470 122.820 0.065 0.000 1.887 509 A HA 0.205 4.511 4.320 -0.024 0.000 0.210 509 A C 2.455 180.070 177.584 0.051 0.000 1.221 509 A CA 1.526 53.604 52.037 0.067 0.000 0.635 509 A CB -0.319 18.741 19.000 0.099 0.000 0.881 509 A HN 0.602 nan 8.150 nan 0.000 0.456 510 M N 0.095 119.697 119.600 0.004 0.000 2.771 510 M HA 0.220 4.686 4.480 -0.024 0.000 0.246 510 M C 0.784 177.064 176.300 -0.033 0.000 1.054 510 M CA 0.678 55.924 55.300 -0.091 0.000 1.068 510 M CB -0.859 31.358 32.600 -0.638 0.000 1.452 510 M HN 0.232 nan 8.290 nan 0.000 0.549 511 A N 2.050 124.867 122.820 -0.004 0.000 2.362 511 A HA 0.620 4.926 4.320 -0.024 0.000 0.276 511 A C -0.192 177.398 177.584 0.010 0.000 1.153 511 A CA -0.671 51.360 52.037 -0.011 0.000 0.813 511 A CB 0.146 19.139 19.000 -0.011 0.000 1.081 511 A HN 0.514 nan 8.150 nan 0.000 0.507 512 L N 3.982 125.206 121.223 0.002 0.000 2.331 512 L HA 0.331 4.657 4.340 -0.024 0.000 0.278 512 L C -1.299 175.571 176.870 -0.001 0.000 1.106 512 L CA -1.453 53.391 54.840 0.007 0.000 0.824 512 L CB -0.219 41.842 42.059 0.004 0.000 1.142 512 L HN 0.616 nan 8.230 nan 0.000 0.443 513 P HA 0.000 nan 4.420 nan 0.000 0.216 513 P CA 0.000 63.100 63.100 -0.001 0.000 0.800 513 P CB 0.000 31.701 31.700 0.002 0.000 0.726