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 3ncy_1_C DATA FIRST_RESID 11 DATA SEQUENCE GLIPVTLMVS GNIMGSGVFL LPANLAATGG IAIYGWLVTI IGALALSMVY DATA SEQUENCE AKMSSLDPSP GGSYAYARRC FGPFLGYQTN VLYWLACWIG NIAMVVIGVG DATA SEQUENCE YLSYFFPILK DPLVLTLTCV AVLWIFVLLN IVGPKMITRV QAVATVLALV DATA SEQUENCE PIVGIAVFGW FWFKXXXXXX XWNVSGMNTF GAIQSTLNVT LWSFIGVESA DATA SEQUENCE SVAAGVVKNP KRNVPIATIG GVLIAAVCYV LSTTAIMGMI PNAALRVSAS DATA SEQUENCE PFGDAARMAL GDTAGAIVSF CAAAGCLGSL GGWTLLAGQT AKAAADDGLF DATA SEQUENCE PPIFARXXXX GTPVAGLLIV GVLMTIFQFS SMSPNAAKEF GLVSSVSVIF DATA SEQUENCE TLVPYLYTCA ALLLLGHGHF GKARPLYLLI TFVAFVYCIW AVIGSGAKEV DATA SEQUENCE MWSFVTLMVI TALYALNYNR IHKNPYPLDA P 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 11 G C 0.000 174.902 174.900 0.003 0.000 0.946 11 G CA 0.000 45.103 45.100 0.005 0.000 0.502 12 L N 0.006 121.231 121.223 0.004 0.000 2.296 12 L HA 0.417 4.757 4.340 0.000 0.000 0.193 12 L C 2.652 179.524 176.870 0.002 0.000 1.123 12 L CA 0.548 55.390 54.840 0.003 0.000 0.805 12 L CB -0.337 41.725 42.059 0.004 0.000 1.004 12 L HN 0.317 nan 8.230 nan 0.000 0.478 13 I N 0.973 121.546 120.570 0.005 0.000 2.145 13 I HA -0.239 3.931 4.170 0.000 0.000 0.244 13 I C -0.701 175.419 176.117 0.005 0.000 1.075 13 I CA 2.100 63.403 61.300 0.006 0.000 1.332 13 I CB -1.547 36.458 38.000 0.008 0.000 1.033 13 I HN 0.264 nan 8.210 nan 0.000 0.410 14 P HA -0.096 nan 4.420 nan 0.000 0.217 14 P C 2.086 179.385 177.300 -0.001 0.000 1.150 14 P CA 1.123 64.226 63.100 0.006 0.000 0.832 14 P CB 0.054 31.759 31.700 0.009 0.000 0.787 15 V N -0.719 119.191 119.914 -0.006 0.000 2.407 15 V HA -0.169 3.951 4.120 0.000 0.000 0.245 15 V C 2.241 178.324 176.094 -0.018 0.000 1.041 15 V CA 2.278 64.568 62.300 -0.017 0.000 1.040 15 V CB -1.744 30.069 31.823 -0.018 0.000 0.671 15 V HN 0.162 nan 8.190 nan 0.000 0.455 16 T N 0.759 115.307 114.554 -0.009 0.000 2.759 16 T HA -0.134 4.216 4.350 0.000 0.000 0.269 16 T C 1.800 176.496 174.700 -0.006 0.000 1.042 16 T CA 1.438 63.534 62.100 -0.007 0.000 1.140 16 T CB -0.260 68.608 68.868 -0.002 0.000 0.864 16 T HN 0.313 nan 8.240 nan 0.000 0.455 17 L N 0.191 121.413 121.223 -0.003 0.000 2.313 17 L HA 0.151 4.491 4.340 0.000 0.000 0.214 17 L C 2.561 179.430 176.870 -0.003 0.000 1.119 17 L CA 0.608 55.449 54.840 0.002 0.000 0.809 17 L CB -0.483 41.581 42.059 0.008 0.000 0.933 17 L HN 0.297 nan 8.230 nan 0.000 0.449 18 M N -0.300 119.291 119.600 -0.015 0.000 2.200 18 M HA -0.142 4.338 4.480 0.000 0.000 0.265 18 M C 2.150 178.421 176.300 -0.048 0.000 1.066 18 M CA 1.485 56.764 55.300 -0.034 0.000 1.127 18 M CB 0.113 32.681 32.600 -0.053 0.000 1.379 18 M HN 0.048 nan 8.290 nan 0.000 0.420 19 V N 0.837 120.726 119.914 -0.042 0.000 2.233 19 V HA -0.290 3.830 4.120 0.000 0.000 0.247 19 V C 2.605 178.701 176.094 0.003 0.000 1.050 19 V CA 2.275 64.553 62.300 -0.037 0.000 1.010 19 V CB -1.350 30.458 31.823 -0.025 0.000 0.637 19 V HN 0.719 nan 8.190 nan 0.000 0.444 20 S N 1.063 116.768 115.700 0.007 0.000 2.370 20 S HA -0.158 4.312 4.470 0.000 0.000 0.226 20 S C 2.113 176.732 174.600 0.032 0.000 1.033 20 S CA 1.591 59.798 58.200 0.011 0.000 1.011 20 S CB -1.255 61.943 63.200 -0.003 0.000 0.852 20 S HN 0.593 nan 8.310 nan 0.000 0.457 21 G N 2.410 111.230 108.800 0.032 0.000 2.421 21 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 21 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 21 G C 1.416 176.381 174.900 0.109 0.000 1.171 21 G CA 0.946 46.077 45.100 0.052 0.000 0.775 21 G HN 0.561 nan 8.290 nan 0.000 0.543 22 N N 0.379 119.147 118.700 0.114 0.000 2.364 22 N HA 0.004 4.744 4.740 0.000 0.000 0.183 22 N C 2.043 177.807 175.510 0.423 0.000 1.022 22 N CA 0.566 53.799 53.050 0.305 0.000 0.883 22 N CB -0.070 38.378 38.487 -0.064 0.000 0.965 22 N HN 0.428 nan 8.380 nan 0.000 0.438 23 I N -0.500 120.208 120.570 0.230 0.000 2.494 23 I HA 0.012 4.182 4.170 0.000 0.000 0.250 23 I C 0.699 176.915 176.117 0.166 0.000 1.112 23 I CA 0.620 62.043 61.300 0.204 0.000 1.438 23 I CB -0.028 38.043 38.000 0.119 0.000 1.111 23 I HN -0.010 nan 8.210 nan 0.000 0.431 24 M N 1.447 121.127 119.600 0.134 0.000 3.310 24 M HA 0.210 4.690 4.480 0.000 0.000 0.233 24 M C 1.191 177.557 176.300 0.110 0.000 1.267 24 M CA -0.130 55.263 55.300 0.156 0.000 1.301 24 M CB 0.023 32.705 32.600 0.137 0.000 1.186 24 M HN 0.145 nan 8.290 nan 0.000 0.515 25 G N -0.223 108.633 108.800 0.094 0.000 2.956 25 G HA2 -0.017 3.943 3.960 0.000 0.000 0.207 25 G HA3 -0.017 3.943 3.960 0.000 0.000 0.207 25 G C 0.838 175.735 174.900 -0.005 0.000 1.162 25 G CA 0.297 45.411 45.100 0.023 0.000 0.796 25 G HN 0.532 nan 8.290 nan 0.000 0.527 26 S N -1.358 114.375 115.700 0.055 0.000 2.952 26 S HA 0.207 4.677 4.470 0.000 0.000 0.238 26 S C 1.660 176.333 174.600 0.121 0.000 0.780 26 S CA 0.533 58.790 58.200 0.095 0.000 1.150 26 S CB -0.560 62.715 63.200 0.125 0.000 1.320 26 S HN 0.332 nan 8.310 nan 0.000 0.540 27 G N 0.966 109.833 108.800 0.111 0.000 2.708 27 G HA2 0.085 4.045 3.960 0.000 0.000 0.210 27 G HA3 0.085 4.045 3.960 0.000 0.000 0.210 27 G C 1.127 176.069 174.900 0.070 0.000 1.141 27 G CA 1.107 46.262 45.100 0.091 0.000 0.788 27 G HN 0.872 nan 8.290 nan 0.000 0.531 28 V N -3.213 116.788 119.914 0.145 0.000 3.048 28 V HA 0.361 4.482 4.120 0.000 0.000 0.241 28 V C 2.084 178.335 176.094 0.261 0.000 1.129 28 V CA 0.496 62.928 62.300 0.219 0.000 1.128 28 V CB -0.641 31.367 31.823 0.308 0.000 0.849 28 V HN 0.136 nan 8.190 nan 0.000 0.475 29 F N 0.944 120.982 119.950 0.146 0.000 2.811 29 F HA 0.299 4.826 4.527 0.000 0.000 0.301 29 F C 1.554 177.372 175.800 0.030 0.000 1.151 29 F CA 0.409 58.490 58.000 0.134 0.000 1.412 29 F CB 0.087 39.193 39.000 0.177 0.000 1.113 29 F HN 0.166 nan 8.300 nan 0.000 0.579 30 L N 0.897 122.009 121.223 -0.186 0.000 1.961 30 L HA -0.177 4.163 4.340 0.000 0.000 0.210 30 L C 2.124 178.775 176.870 -0.365 0.000 1.072 30 L CA 2.276 56.932 54.840 -0.308 0.000 0.749 30 L CB -1.126 40.774 42.059 -0.265 0.000 0.889 30 L HN 0.269 nan 8.230 nan 0.000 0.432 31 L N -0.928 120.114 121.223 -0.301 0.000 2.054 31 L HA -0.240 4.100 4.340 0.000 0.000 0.220 31 L C -0.336 176.367 176.870 -0.279 0.000 1.081 31 L CA 2.037 56.708 54.840 -0.281 0.000 0.780 31 L CB -3.019 38.799 42.059 -0.401 0.000 0.893 31 L HN 0.255 nan 8.230 nan 0.000 0.438 32 P HA -0.143 nan 4.420 nan 0.000 0.214 32 P C 1.681 178.803 177.300 -0.297 0.000 1.162 32 P CA 1.991 64.937 63.100 -0.256 0.000 0.879 32 P CB -0.116 31.453 31.700 -0.219 0.000 0.786 33 A N -0.666 121.848 122.820 -0.509 0.000 2.076 33 A HA -0.240 4.080 4.320 0.000 0.000 0.220 33 A C 2.240 179.677 177.584 -0.245 0.000 1.160 33 A CA 1.807 53.614 52.037 -0.384 0.000 0.653 33 A CB -1.459 17.230 19.000 -0.519 0.000 0.801 33 A HN 0.168 nan 8.150 nan 0.000 0.455 34 N N 0.863 119.416 118.700 -0.245 0.000 2.131 34 N HA -0.106 4.635 4.740 0.000 0.000 0.190 34 N C 1.570 176.993 175.510 -0.145 0.000 1.055 34 N CA 1.779 54.717 53.050 -0.186 0.000 0.853 34 N CB -0.456 37.938 38.487 -0.155 0.000 1.035 34 N HN 0.423 nan 8.380 nan 0.000 0.440 35 L N 0.190 121.341 121.223 -0.120 0.000 2.721 35 L HA 0.273 4.613 4.340 0.000 0.000 0.241 35 L C 1.767 178.591 176.870 -0.078 0.000 1.168 35 L CA 0.892 55.681 54.840 -0.085 0.000 0.866 35 L CB -2.440 39.580 42.059 -0.066 0.000 0.996 35 L HN 0.143 nan 8.230 nan 0.000 0.451 36 A N 0.063 122.829 122.820 -0.090 0.000 2.076 36 A HA 0.088 4.408 4.320 0.000 0.000 0.220 36 A C 2.437 179.982 177.584 -0.065 0.000 1.160 36 A CA 1.696 53.690 52.037 -0.072 0.000 0.653 36 A CB -0.418 18.537 19.000 -0.075 0.000 0.801 36 A HN 0.628 nan 8.150 nan 0.000 0.455 37 A N -2.704 120.071 122.820 -0.076 0.000 1.920 37 A HA 0.458 4.778 4.320 0.000 0.000 0.209 37 A C 1.041 178.590 177.584 -0.059 0.000 1.229 37 A CA 1.604 53.599 52.037 -0.070 0.000 0.671 37 A CB 0.101 19.048 19.000 -0.088 0.000 0.886 37 A HN 0.746 nan 8.150 nan 0.000 0.461 38 T N -4.082 110.436 114.554 -0.061 0.000 2.927 38 T HA 0.463 4.813 4.350 0.000 0.000 0.350 38 T C 0.367 175.047 174.700 -0.034 0.000 1.746 38 T CA 0.414 62.488 62.100 -0.042 0.000 1.081 38 T CB 0.829 69.675 68.868 -0.037 0.000 1.551 38 T HN 0.566 nan 8.240 nan 0.000 0.489 39 G N 0.834 109.626 108.800 -0.013 0.000 2.907 39 G HA2 0.377 4.337 3.960 0.000 0.000 0.200 39 G HA3 0.377 4.337 3.960 0.000 0.000 0.200 39 G C 1.464 176.389 174.900 0.042 0.000 1.101 39 G CA 0.960 46.064 45.100 0.007 0.000 0.806 39 G HN 1.065 nan 8.290 nan 0.000 0.640 40 G N 1.015 109.836 108.800 0.035 0.000 2.414 40 G HA2 -0.040 3.920 3.960 0.000 0.000 0.215 40 G HA3 -0.040 3.920 3.960 0.000 0.000 0.215 40 G C 1.003 175.947 174.900 0.073 0.000 1.188 40 G CA 0.413 45.546 45.100 0.054 0.000 0.783 40 G HN 0.375 nan 8.290 nan 0.000 0.537 41 I N 1.507 122.104 120.570 0.045 0.000 3.282 41 I HA 0.381 4.552 4.170 0.000 0.000 0.335 41 I C 1.239 177.394 176.117 0.063 0.000 1.325 41 I CA -0.184 61.148 61.300 0.053 0.000 1.156 41 I CB 0.786 38.771 38.000 -0.025 0.000 1.644 41 I HN 0.234 nan 8.210 nan 0.000 0.493 42 A N 1.376 124.248 122.820 0.086 0.000 2.226 42 A HA 0.321 4.642 4.320 0.000 0.000 0.207 42 A C 1.718 179.372 177.584 0.116 0.000 1.293 42 A CA 0.016 52.071 52.037 0.030 0.000 0.968 42 A CB 0.093 19.067 19.000 -0.043 0.000 1.044 42 A HN 0.446 nan 8.150 nan 0.000 0.493 43 I N -1.231 119.499 120.570 0.268 0.000 2.756 43 I HA -0.169 4.001 4.170 0.000 0.000 0.262 43 I C 2.045 178.355 176.117 0.320 0.000 1.225 43 I CA 1.190 62.737 61.300 0.412 0.000 1.472 43 I CB -0.267 37.914 38.000 0.302 0.000 1.094 43 I HN 0.478 nan 8.210 nan 0.000 0.454 44 Y N 1.379 121.755 120.300 0.127 0.000 2.544 44 Y HA 0.093 4.643 4.550 0.000 0.000 0.286 44 Y C 2.173 178.119 175.900 0.077 0.000 1.141 44 Y CA 0.777 58.933 58.100 0.093 0.000 1.299 44 Y CB 0.180 38.674 38.460 0.056 0.000 1.030 44 Y HN 0.066 nan 8.280 nan 0.000 0.543 45 G N -2.159 106.722 108.800 0.136 0.000 2.921 45 G HA2 -0.115 3.845 3.960 0.000 0.000 0.213 45 G HA3 -0.115 3.845 3.960 0.000 0.000 0.213 45 G C 1.024 175.917 174.900 -0.012 0.000 1.143 45 G CA -0.206 44.900 45.100 0.011 0.000 0.764 45 G HN 0.508 nan 8.290 nan 0.000 0.542 46 W N 1.042 122.380 121.300 0.063 0.000 2.388 46 W HA 0.075 4.736 4.660 0.000 0.000 0.294 46 W C 2.343 178.909 176.519 0.079 0.000 1.212 46 W CA 0.161 57.564 57.345 0.097 0.000 1.271 46 W CB -0.039 29.488 29.460 0.113 0.000 1.126 46 W HN 0.076 nan 8.180 nan 0.000 0.535 47 L N -0.680 120.692 121.223 0.250 0.000 1.971 47 L HA -0.315 4.025 4.340 0.000 0.000 0.215 47 L C 2.234 179.177 176.870 0.122 0.000 1.072 47 L CA 1.349 56.264 54.840 0.126 0.000 0.758 47 L CB -1.552 40.502 42.059 -0.008 0.000 0.889 47 L HN -0.153 nan 8.230 nan 0.000 0.433 48 V N -0.883 119.090 119.914 0.099 0.000 2.332 48 V HA -0.343 3.778 4.120 0.000 0.000 0.248 48 V C 2.531 178.740 176.094 0.191 0.000 1.055 48 V CA 2.495 64.879 62.300 0.139 0.000 1.038 48 V CB -0.593 31.315 31.823 0.142 0.000 0.651 48 V HN 0.505 nan 8.190 nan 0.000 0.450 49 T N -1.625 113.043 114.554 0.189 0.000 3.067 49 T HA 0.096 4.446 4.350 0.000 0.000 0.261 49 T C 1.614 176.509 174.700 0.325 0.000 1.110 49 T CA 0.690 62.944 62.100 0.257 0.000 1.113 49 T CB -0.083 68.892 68.868 0.179 0.000 0.917 49 T HN 0.376 nan 8.240 nan 0.000 0.499 50 I N -0.285 120.440 120.570 0.258 0.000 2.867 50 I HA 0.144 4.314 4.170 0.000 0.000 0.265 50 I C 1.725 177.816 176.117 -0.042 0.000 1.162 50 I CA 0.446 61.797 61.300 0.086 0.000 1.471 50 I CB 0.180 38.290 38.000 0.182 0.000 1.123 50 I HN 0.229 nan 8.210 nan 0.000 0.440 51 I N 0.367 120.960 120.570 0.038 0.000 2.163 51 I HA -0.175 3.995 4.170 0.000 0.000 0.240 51 I C 2.564 178.666 176.117 -0.025 0.000 1.081 51 I CA 1.550 62.854 61.300 0.007 0.000 1.353 51 I CB -0.939 37.088 38.000 0.046 0.000 1.054 51 I HN 0.233 nan 8.210 nan 0.000 0.407 52 G N 0.526 109.367 108.800 0.069 0.000 2.442 52 G HA2 -0.234 3.726 3.960 0.000 0.000 0.219 52 G HA3 -0.234 3.726 3.960 0.000 0.000 0.219 52 G C 1.835 176.432 174.900 -0.504 0.000 1.141 52 G CA 0.874 46.000 45.100 0.042 0.000 0.763 52 G HN 0.493 nan 8.290 nan 0.000 0.554 53 A N 0.222 122.750 122.820 -0.487 0.000 1.898 53 A HA 0.136 4.456 4.320 0.000 0.000 0.216 53 A C 2.310 179.589 177.584 -0.508 0.000 1.181 53 A CA 1.388 52.977 52.037 -0.747 0.000 0.620 53 A CB -0.381 18.093 19.000 -0.878 0.000 0.819 53 A HN 0.345 nan 8.150 nan 0.000 0.442 54 L N -0.368 120.645 121.223 -0.350 0.000 2.131 54 L HA -0.060 4.280 4.340 0.000 0.000 0.210 54 L C 2.729 179.510 176.870 -0.148 0.000 1.092 54 L CA 1.687 56.399 54.840 -0.214 0.000 0.759 54 L CB -0.581 41.395 42.059 -0.140 0.000 0.903 54 L HN 0.375 nan 8.230 nan 0.000 0.435 55 A N -0.918 121.805 122.820 -0.162 0.000 1.902 55 A HA -0.183 4.138 4.320 0.000 0.000 0.217 55 A C 2.295 179.817 177.584 -0.103 0.000 1.181 55 A CA 1.784 53.761 52.037 -0.100 0.000 0.623 55 A CB -0.768 18.182 19.000 -0.082 0.000 0.818 55 A HN 0.420 nan 8.150 nan 0.000 0.443 56 L N 0.434 121.541 121.223 -0.194 0.000 2.046 56 L HA -0.204 4.136 4.340 0.000 0.000 0.208 56 L C 3.089 180.002 176.870 0.071 0.000 1.077 56 L CA 1.705 56.506 54.840 -0.065 0.000 0.747 56 L CB -0.363 41.607 42.059 -0.149 0.000 0.896 56 L HN 0.651 nan 8.230 nan 0.000 0.432 57 S N -0.851 114.841 115.700 -0.014 0.000 2.382 57 S HA -0.215 4.256 4.470 0.000 0.000 0.228 57 S C 1.982 176.611 174.600 0.048 0.000 1.027 57 S CA 1.018 59.235 58.200 0.029 0.000 0.991 57 S CB -0.267 62.914 63.200 -0.032 0.000 0.823 57 S HN 0.236 nan 8.310 nan 0.000 0.469 58 M N 1.500 121.112 119.600 0.020 0.000 2.059 58 M HA -0.013 4.467 4.480 0.000 0.000 0.259 58 M C 2.425 178.734 176.300 0.014 0.000 1.072 58 M CA 1.182 56.505 55.300 0.037 0.000 1.117 58 M CB -1.765 30.869 32.600 0.057 0.000 1.320 58 M HN 0.271 nan 8.290 nan 0.000 0.408 59 V N -0.304 119.603 119.914 -0.011 0.000 2.231 59 V HA -0.325 3.795 4.120 0.000 0.000 0.250 59 V C 2.302 178.311 176.094 -0.142 0.000 1.058 59 V CA 2.150 64.388 62.300 -0.103 0.000 1.022 59 V CB -1.093 30.646 31.823 -0.141 0.000 0.640 59 V HN 0.295 nan 8.190 nan 0.000 0.445 60 Y N 0.271 120.530 120.300 -0.067 0.000 2.274 60 Y HA -0.179 4.371 4.550 0.000 0.000 0.290 60 Y C 2.436 178.298 175.900 -0.064 0.000 1.145 60 Y CA 1.456 59.526 58.100 -0.050 0.000 1.203 60 Y CB -0.677 37.781 38.460 -0.004 0.000 0.984 60 Y HN 0.215 nan 8.280 nan 0.000 0.533 61 A N -0.303 122.570 122.820 0.088 0.000 1.898 61 A HA -0.204 4.116 4.320 0.000 0.000 0.216 61 A C 2.119 179.684 177.584 -0.032 0.000 1.181 61 A CA 1.961 54.020 52.037 0.036 0.000 0.620 61 A CB -0.450 18.572 19.000 0.038 0.000 0.819 61 A HN 0.315 nan 8.150 nan 0.000 0.442 62 K N -0.836 119.508 120.400 -0.094 0.000 2.076 62 K HA 0.010 4.330 4.320 0.000 0.000 0.204 62 K C 1.827 178.277 176.600 -0.250 0.000 1.051 62 K CA 1.705 57.889 56.287 -0.172 0.000 0.949 62 K CB -0.392 31.927 32.500 -0.303 0.000 0.726 62 K HN 0.269 nan 8.250 nan 0.000 0.443 63 M N 0.703 120.098 119.600 -0.341 0.000 2.460 63 M HA -0.049 4.431 4.480 0.000 0.000 0.263 63 M C 1.515 177.452 176.300 -0.604 0.000 1.071 63 M CA 1.621 56.578 55.300 -0.571 0.000 1.096 63 M CB -0.266 31.856 32.600 -0.796 0.000 1.408 63 M HN 0.294 nan 8.290 nan 0.000 0.463 64 S N -1.682 113.850 115.700 -0.281 0.000 2.458 64 S HA -0.013 4.457 4.470 0.000 0.000 0.223 64 S C 1.903 176.470 174.600 -0.055 0.000 1.019 64 S CA 0.667 58.832 58.200 -0.058 0.000 0.937 64 S CB -0.920 62.340 63.200 0.101 0.000 0.788 64 S HN 0.614 nan 8.310 nan 0.000 0.511 65 S N 1.548 117.198 115.700 -0.084 0.000 2.453 65 S HA 0.122 4.592 4.470 0.000 0.000 0.231 65 S C 1.612 176.162 174.600 -0.083 0.000 1.005 65 S CA 0.423 58.590 58.200 -0.056 0.000 0.949 65 S CB -0.558 62.620 63.200 -0.037 0.000 0.774 65 S HN 0.328 nan 8.310 nan 0.000 0.510 66 L N 1.442 122.566 121.223 -0.164 0.000 2.209 66 L HA 0.372 4.713 4.340 0.000 0.000 0.207 66 L C 0.211 176.974 176.870 -0.179 0.000 1.094 66 L CA 1.174 55.882 54.840 -0.220 0.000 0.790 66 L CB -0.539 41.281 42.059 -0.397 0.000 0.932 66 L HN 0.404 nan 8.230 nan 0.000 0.447 67 D N -1.568 118.746 120.400 -0.143 0.000 2.351 67 D HA 0.204 4.844 4.640 0.000 0.000 0.235 67 D C -2.510 173.841 176.300 0.084 0.000 1.331 67 D CA -1.282 52.693 54.000 -0.043 0.000 0.959 67 D CB 1.178 41.944 40.800 -0.056 0.000 1.432 67 D HN -0.173 nan 8.370 nan 0.000 0.544 68 P HA 0.108 nan 4.420 nan 0.000 0.254 68 P C -0.208 177.131 177.300 0.065 0.000 1.631 68 P CA -0.120 63.029 63.100 0.081 0.000 0.861 68 P CB -0.470 31.252 31.700 0.037 0.000 1.663 69 S N 0.442 116.191 115.700 0.082 0.000 2.559 69 S HA 0.142 4.612 4.470 0.000 0.000 0.282 69 S C -2.122 172.462 174.600 -0.027 0.000 1.336 69 S CA -0.744 57.466 58.200 0.017 0.000 1.037 69 S CB -0.528 62.670 63.200 -0.003 0.000 0.853 69 S HN 0.138 nan 8.310 nan 0.000 0.523 70 P HA 0.479 nan 4.420 nan 0.000 0.193 70 P C -0.197 177.106 177.300 0.005 0.000 1.874 70 P CA -0.188 62.902 63.100 -0.017 0.000 1.140 70 P CB 0.342 32.043 31.700 0.003 0.000 1.784 71 G N -0.207 108.604 108.800 0.018 0.000 3.239 71 G HA2 0.265 4.225 3.960 0.000 0.000 0.666 71 G HA3 0.265 4.225 3.960 0.000 0.000 0.666 71 G C -0.151 174.627 174.900 -0.204 0.000 1.313 71 G CA -0.435 44.605 45.100 -0.100 0.000 1.001 71 G HN 0.458 nan 8.290 nan 0.000 0.573 72 G N 0.170 108.767 108.800 -0.338 0.000 3.329 72 G HA2 0.773 4.733 3.960 0.000 0.000 0.180 72 G HA3 0.773 4.733 3.960 0.000 0.000 0.180 72 G C 1.344 175.763 174.900 -0.802 0.000 1.640 72 G CA 1.497 46.337 45.100 -0.433 0.000 1.018 72 G HN 2.325 nan 8.290 nan 0.000 0.581 73 S N -1.931 113.365 115.700 -0.673 0.000 4.159 73 S HA -0.432 4.038 4.470 0.000 0.000 0.536 73 S C 1.676 176.123 174.600 -0.255 0.000 1.861 73 S CA 2.215 60.261 58.200 -0.258 0.000 4.246 73 S CB -1.987 61.041 63.200 -0.286 0.000 0.268 73 S HN 1.440 nan 8.310 nan 0.000 0.454 74 Y N 3.079 123.183 120.300 -0.326 0.000 2.062 74 Y HA -0.123 4.427 4.550 0.000 0.000 0.276 74 Y C 2.463 178.243 175.900 -0.201 0.000 1.189 74 Y CA 3.269 61.235 58.100 -0.225 0.000 1.130 74 Y CB -1.227 37.098 38.460 -0.225 0.000 0.959 74 Y HN 0.538 nan 8.280 nan 0.000 0.499 75 A N -0.122 122.353 122.820 -0.576 0.000 1.845 75 A HA -0.189 4.131 4.320 0.000 0.000 0.215 75 A C 2.186 179.573 177.584 -0.328 0.000 1.195 75 A CA 1.753 53.448 52.037 -0.571 0.000 0.616 75 A CB -1.698 17.088 19.000 -0.356 0.000 0.832 75 A HN 0.734 nan 8.150 nan 0.000 0.443 76 Y N -0.167 119.994 120.300 -0.231 0.000 2.102 76 Y HA -0.289 4.261 4.550 0.000 0.000 0.280 76 Y C 2.979 178.744 175.900 -0.224 0.000 1.178 76 Y CA 0.621 58.588 58.100 -0.222 0.000 1.146 76 Y CB -0.461 37.873 38.460 -0.211 0.000 0.968 76 Y HN 0.378 nan 8.280 nan 0.000 0.504 77 A N 0.342 123.139 122.820 -0.039 0.000 1.933 77 A HA -0.208 4.112 4.320 0.000 0.000 0.218 77 A C 2.204 179.714 177.584 -0.124 0.000 1.175 77 A CA 1.646 53.671 52.037 -0.019 0.000 0.628 77 A CB -0.715 18.324 19.000 0.065 0.000 0.814 77 A HN 0.462 nan 8.150 nan 0.000 0.444 78 R N 0.396 120.731 120.500 -0.275 0.000 2.061 78 R HA -0.156 4.184 4.340 0.000 0.000 0.230 78 R C 2.263 178.443 176.300 -0.201 0.000 1.140 78 R CA 1.699 57.628 56.100 -0.286 0.000 0.940 78 R CB -0.332 29.669 30.300 -0.498 0.000 0.839 78 R HN 0.617 nan 8.270 nan 0.000 0.429 79 R N -0.554 119.824 120.500 -0.204 0.000 2.357 79 R HA -0.036 4.304 4.340 0.000 0.000 0.202 79 R C 1.867 178.030 176.300 -0.229 0.000 1.047 79 R CA 0.919 56.912 56.100 -0.179 0.000 1.034 79 R CB -0.584 29.625 30.300 -0.151 0.000 0.875 79 R HN 0.232 nan 8.270 nan 0.000 0.473 80 C N -0.734 118.394 119.300 -0.286 0.000 2.598 80 C HA 0.323 4.783 4.460 0.000 0.000 0.291 80 C C 1.447 176.079 174.990 -0.596 0.000 1.437 80 C CA -0.213 58.497 59.018 -0.513 0.000 1.864 80 C CB -0.262 27.078 27.740 -0.667 0.000 2.068 80 C HN 0.560 nan 8.230 nan 0.000 0.618 81 F N 1.002 120.852 119.950 -0.167 0.000 2.704 81 F HA 0.465 4.992 4.527 0.000 0.000 0.304 81 F C 1.366 177.103 175.800 -0.105 0.000 1.094 81 F CA 0.845 58.755 58.000 -0.150 0.000 1.275 81 F CB 0.243 39.099 39.000 -0.241 0.000 1.073 81 F HN 0.605 nan 8.300 nan 0.000 0.586 82 G N 0.876 109.682 108.800 0.010 0.000 2.337 82 G HA2 -0.139 3.821 3.960 0.000 0.000 0.197 82 G HA3 -0.139 3.821 3.960 0.000 0.000 0.197 82 G C -2.377 172.514 174.900 -0.015 0.000 1.238 82 G CA -0.254 44.842 45.100 -0.006 0.000 1.119 82 G HN -0.141 nan 8.290 nan 0.000 0.514 83 P HA 0.160 nan 4.420 nan 0.000 0.216 83 P C 1.858 179.172 177.300 0.023 0.000 1.151 83 P CA 1.471 64.603 63.100 0.053 0.000 0.863 83 P CB 0.002 31.763 31.700 0.101 0.000 0.790 84 F N 1.488 121.322 119.950 -0.194 0.000 2.126 84 F HA -0.130 4.397 4.527 0.000 0.000 0.299 84 F C 1.835 177.498 175.800 -0.227 0.000 1.096 84 F CA 1.573 59.266 58.000 -0.512 0.000 1.255 84 F CB -1.003 37.726 39.000 -0.451 0.000 0.997 84 F HN -0.295 nan 8.300 nan 0.000 0.479 85 L N -0.480 120.554 121.223 -0.316 0.000 2.554 85 L HA 0.094 4.434 4.340 0.000 0.000 0.226 85 L C 2.479 179.238 176.870 -0.185 0.000 1.137 85 L CA 0.708 55.319 54.840 -0.383 0.000 0.863 85 L CB -1.137 40.708 42.059 -0.357 0.000 0.985 85 L HN 0.350 nan 8.230 nan 0.000 0.451 86 G N -0.829 107.912 108.800 -0.099 0.000 2.459 86 G HA2 -0.267 3.693 3.960 0.000 0.000 0.213 86 G HA3 -0.267 3.693 3.960 0.000 0.000 0.213 86 G C 1.446 176.478 174.900 0.220 0.000 1.155 86 G CA 0.086 45.181 45.100 -0.008 0.000 0.811 86 G HN 0.345 nan 8.290 nan 0.000 0.534 87 Y N 0.780 121.053 120.300 -0.044 0.000 2.181 87 Y HA -0.126 4.424 4.550 0.000 0.000 0.288 87 Y C 2.844 178.634 175.900 -0.183 0.000 1.146 87 Y CA 2.220 60.263 58.100 -0.095 0.000 1.164 87 Y CB -0.043 38.304 38.460 -0.187 0.000 0.982 87 Y HN 0.277 nan 8.280 nan 0.000 0.515 88 Q N -0.041 119.496 119.800 -0.438 0.000 1.993 88 Q HA -0.211 4.129 4.340 0.000 0.000 0.202 88 Q C 2.236 178.061 176.000 -0.292 0.000 0.984 88 Q CA 3.024 58.532 55.803 -0.492 0.000 0.837 88 Q CB -0.288 28.157 28.738 -0.489 0.000 0.902 88 Q HN 0.671 nan 8.270 nan 0.000 0.423 89 T N -0.522 113.972 114.554 -0.098 0.000 2.653 89 T HA -0.275 4.076 4.350 0.000 0.000 0.268 89 T C 1.486 176.157 174.700 -0.048 0.000 1.035 89 T CA 1.619 63.721 62.100 0.003 0.000 1.154 89 T CB -0.834 68.109 68.868 0.125 0.000 0.862 89 T HN 0.405 nan 8.240 nan 0.000 0.441 90 N N 1.094 119.728 118.700 -0.111 0.000 2.006 90 N HA -0.128 4.612 4.740 0.000 0.000 0.196 90 N C 1.900 177.218 175.510 -0.319 0.000 1.057 90 N CA 1.895 54.759 53.050 -0.310 0.000 0.853 90 N CB -0.947 37.153 38.487 -0.644 0.000 1.051 90 N HN 0.189 nan 8.380 nan 0.000 0.423 91 V N 0.649 120.289 119.914 -0.456 0.000 2.317 91 V HA -0.270 3.850 4.120 0.000 0.000 0.251 91 V C 2.270 178.301 176.094 -0.105 0.000 1.065 91 V CA 1.826 63.958 62.300 -0.281 0.000 1.049 91 V CB -0.528 31.076 31.823 -0.366 0.000 0.651 91 V HN 0.358 nan 8.190 nan 0.000 0.450 92 L N -1.734 119.359 121.223 -0.216 0.000 1.973 92 L HA -0.199 4.141 4.340 0.000 0.000 0.208 92 L C 2.439 179.302 176.870 -0.011 0.000 1.073 92 L CA 2.431 57.109 54.840 -0.270 0.000 0.746 92 L CB -0.962 40.921 42.059 -0.293 0.000 0.891 92 L HN 0.398 nan 8.230 nan 0.000 0.433 93 Y N -0.494 119.788 120.300 -0.031 0.000 2.315 93 Y HA -0.310 4.240 4.550 0.000 0.000 0.288 93 Y C 2.347 178.302 175.900 0.092 0.000 1.154 93 Y CA 1.323 59.454 58.100 0.052 0.000 1.229 93 Y CB -0.233 38.242 38.460 0.025 0.000 0.980 93 Y HN 0.243 nan 8.280 nan 0.000 0.540 94 W N 0.582 121.860 121.300 -0.036 0.000 2.378 94 W HA -0.215 4.445 4.660 0.000 0.000 0.313 94 W C 1.846 178.338 176.519 -0.046 0.000 1.197 94 W CA 2.257 59.578 57.345 -0.039 0.000 1.304 94 W CB -0.743 28.626 29.460 -0.152 0.000 1.148 94 W HN 0.044 nan 8.180 nan 0.000 0.494 95 L N 0.774 121.892 121.223 -0.175 0.000 1.990 95 L HA -0.256 4.084 4.340 0.000 0.000 0.213 95 L C 2.677 179.089 176.870 -0.764 0.000 1.072 95 L CA 1.764 56.191 54.840 -0.689 0.000 0.755 95 L CB -1.661 40.231 42.059 -0.278 0.000 0.889 95 L HN 0.116 nan 8.230 nan 0.000 0.432 96 A N -1.130 121.497 122.820 -0.322 0.000 2.084 96 A HA -0.237 4.083 4.320 0.000 0.000 0.221 96 A C 2.350 179.666 177.584 -0.446 0.000 1.161 96 A CA 1.936 53.792 52.037 -0.301 0.000 0.653 96 A CB -0.999 17.931 19.000 -0.117 0.000 0.802 96 A HN 0.579 nan 8.150 nan 0.000 0.457 97 C N -1.280 117.761 119.300 -0.433 0.000 2.543 97 C HA -0.025 4.436 4.460 0.000 0.000 0.281 97 C C 2.643 177.486 174.990 -0.245 0.000 1.276 97 C CA 0.527 59.414 59.018 -0.217 0.000 1.700 97 C CB -1.337 26.386 27.740 -0.028 0.000 2.093 97 C HN 0.948 nan 8.230 nan 0.000 0.488 98 W N 0.877 121.944 121.300 -0.387 0.000 2.494 98 W HA 0.188 4.848 4.660 0.000 0.000 0.286 98 W C 1.866 178.168 176.519 -0.363 0.000 1.218 98 W CA 0.460 57.574 57.345 -0.385 0.000 1.313 98 W CB -1.337 27.822 29.460 -0.500 0.000 1.105 98 W HN 0.210 nan 8.180 nan 0.000 0.561 99 I N 2.152 121.999 120.570 -1.205 0.000 2.208 99 I HA -0.188 3.982 4.170 0.000 0.000 0.245 99 I C 2.831 178.653 176.117 -0.491 0.000 1.097 99 I CA 2.109 62.828 61.300 -0.969 0.000 1.363 99 I CB -1.097 36.223 38.000 -1.134 0.000 1.051 99 I HN 0.079 nan 8.210 nan 0.000 0.413 100 G N 0.065 108.567 108.800 -0.497 0.000 2.471 100 G HA2 -0.247 3.713 3.960 0.000 0.000 0.219 100 G HA3 -0.247 3.713 3.960 0.000 0.000 0.219 100 G C 1.374 176.055 174.900 -0.365 0.000 1.125 100 G CA 0.450 45.300 45.100 -0.417 0.000 0.775 100 G HN 0.277 nan 8.290 nan 0.000 0.548 101 N N 0.445 118.955 118.700 -0.317 0.000 2.396 101 N HA 0.047 4.788 4.740 0.000 0.000 0.180 101 N C 2.113 177.532 175.510 -0.153 0.000 1.028 101 N CA 0.230 53.141 53.050 -0.231 0.000 0.893 101 N CB -0.142 38.264 38.487 -0.136 0.000 0.967 101 N HN 0.378 nan 8.380 nan 0.000 0.440 102 I N 0.242 120.738 120.570 -0.123 0.000 2.076 102 I HA -0.305 3.865 4.170 0.000 0.000 0.237 102 I C 2.109 178.179 176.117 -0.078 0.000 1.059 102 I CA 1.417 62.680 61.300 -0.062 0.000 1.317 102 I CB -0.431 37.559 38.000 -0.017 0.000 1.037 102 I HN 0.118 nan 8.210 nan 0.000 0.398 103 A N 0.155 122.908 122.820 -0.113 0.000 2.019 103 A HA -0.194 4.126 4.320 0.000 0.000 0.219 103 A C 2.312 179.822 177.584 -0.123 0.000 1.164 103 A CA 1.244 53.214 52.037 -0.112 0.000 0.644 103 A CB -0.433 18.486 19.000 -0.134 0.000 0.805 103 A HN 0.335 nan 8.150 nan 0.000 0.449 104 M N -0.444 119.062 119.600 -0.157 0.000 2.108 104 M HA -0.127 4.353 4.480 0.000 0.000 0.261 104 M C 2.184 178.410 176.300 -0.123 0.000 1.066 104 M CA 1.458 56.658 55.300 -0.167 0.000 1.107 104 M CB -1.171 31.299 32.600 -0.216 0.000 1.356 104 M HN 0.289 nan 8.290 nan 0.000 0.406 105 V N -0.709 119.152 119.914 -0.089 0.000 2.283 105 V HA -0.187 3.933 4.120 0.000 0.000 0.243 105 V C 2.578 178.659 176.094 -0.022 0.000 1.039 105 V CA 1.203 63.477 62.300 -0.044 0.000 1.016 105 V CB -0.886 30.931 31.823 -0.010 0.000 0.650 105 V HN 0.186 nan 8.190 nan 0.000 0.449 106 V N 0.440 120.340 119.914 -0.023 0.000 2.250 106 V HA -0.305 3.815 4.120 0.000 0.000 0.250 106 V C 2.336 178.431 176.094 0.001 0.000 1.060 106 V CA 2.216 64.510 62.300 -0.010 0.000 1.030 106 V CB -0.635 31.173 31.823 -0.024 0.000 0.643 106 V HN 0.407 nan 8.190 nan 0.000 0.445 107 I N 0.797 121.355 120.570 -0.020 0.000 2.315 107 I HA -0.092 4.078 4.170 0.000 0.000 0.248 107 I C 2.631 178.784 176.117 0.059 0.000 1.117 107 I CA 1.796 63.111 61.300 0.026 0.000 1.404 107 I CB -2.066 35.903 38.000 -0.052 0.000 1.071 107 I HN 0.391 nan 8.210 nan 0.000 0.419 108 G N 0.932 109.696 108.800 -0.059 0.000 2.421 108 G HA2 -0.151 3.809 3.960 0.000 0.000 0.216 108 G HA3 -0.151 3.809 3.960 0.000 0.000 0.216 108 G C 1.829 176.755 174.900 0.043 0.000 1.171 108 G CA 0.868 45.903 45.100 -0.107 0.000 0.775 108 G HN 0.274 nan 8.290 nan 0.000 0.543 109 V N 1.475 121.430 119.914 0.067 0.000 2.515 109 V HA -0.012 4.108 4.120 0.000 0.000 0.250 109 V C 2.911 179.092 176.094 0.146 0.000 1.058 109 V CA 1.589 63.945 62.300 0.093 0.000 1.064 109 V CB -0.766 31.095 31.823 0.063 0.000 0.675 109 V HN 0.432 nan 8.190 nan 0.000 0.461 110 G N -2.195 106.709 108.800 0.174 0.000 2.916 110 G HA2 -0.183 3.777 3.960 0.000 0.000 0.205 110 G HA3 -0.183 3.777 3.960 0.000 0.000 0.205 110 G C 0.951 176.079 174.900 0.381 0.000 1.163 110 G CA 0.216 45.427 45.100 0.186 0.000 0.821 110 G HN 0.558 nan 8.290 nan 0.000 0.515 111 Y N -0.925 119.457 120.300 0.136 0.000 2.444 111 Y HA 0.405 4.955 4.550 0.000 0.000 0.249 111 Y C 2.120 178.108 175.900 0.147 0.000 1.134 111 Y CA -0.288 57.903 58.100 0.152 0.000 1.261 111 Y CB 0.495 39.002 38.460 0.078 0.000 1.143 111 Y HN 0.125 nan 8.280 nan 0.000 0.523 112 L N -2.244 119.135 121.223 0.260 0.000 2.433 112 L HA 0.088 4.428 4.340 0.000 0.000 0.200 112 L C 1.627 178.635 176.870 0.230 0.000 1.059 112 L CA 0.513 55.462 54.840 0.182 0.000 0.835 112 L CB -0.233 41.874 42.059 0.080 0.000 1.076 112 L HN -0.214 nan 8.230 nan 0.000 0.481 113 S N -0.742 115.068 115.700 0.184 0.000 2.701 113 S HA 0.035 4.505 4.470 0.000 0.000 0.220 113 S C 0.900 175.604 174.600 0.174 0.000 0.954 113 S CA 0.118 58.409 58.200 0.152 0.000 0.936 113 S CB -0.115 63.122 63.200 0.062 0.000 0.777 113 S HN 0.276 nan 8.310 nan 0.000 0.518 114 Y N -0.951 119.430 120.300 0.135 0.000 2.430 114 Y HA 0.382 4.932 4.550 0.000 0.000 0.254 114 Y C 1.022 177.013 175.900 0.150 0.000 1.088 114 Y CA -1.231 56.925 58.100 0.093 0.000 1.267 114 Y CB 0.031 38.506 38.460 0.025 0.000 1.204 114 Y HN 0.383 nan 8.280 nan 0.000 0.515 115 F N -1.686 118.407 119.950 0.238 0.000 2.514 115 F HA 0.105 4.632 4.527 0.000 0.000 0.281 115 F C 1.855 177.811 175.800 0.259 0.000 1.060 115 F CA 0.580 58.694 58.000 0.192 0.000 1.397 115 F CB -0.619 38.495 39.000 0.191 0.000 1.129 115 F HN -0.101 nan 8.300 nan 0.000 0.620 116 F N 1.993 122.002 119.950 0.098 0.000 2.098 116 F HA 0.074 4.601 4.527 0.000 0.000 0.294 116 F C -1.131 174.624 175.800 -0.075 0.000 1.107 116 F CA 0.125 58.115 58.000 -0.017 0.000 1.234 116 F CB -0.838 38.216 39.000 0.090 0.000 1.002 116 F HN -0.105 nan 8.300 nan 0.000 0.472 117 P HA 0.289 nan 4.420 nan 0.000 0.241 117 P C 0.552 177.965 177.300 0.188 0.000 1.696 117 P CA -0.075 63.142 63.100 0.196 0.000 1.175 117 P CB 0.570 32.349 31.700 0.133 0.000 1.551 118 I N 1.615 122.391 120.570 0.343 0.000 2.496 118 I HA -0.285 3.885 4.170 0.000 0.000 0.220 118 I C 0.656 176.851 176.117 0.130 0.000 0.937 118 I CA 1.827 63.294 61.300 0.279 0.000 1.248 118 I CB -0.547 37.588 38.000 0.226 0.000 0.955 118 I HN 0.235 nan 8.210 nan 0.000 0.374 119 L N 0.329 121.608 121.223 0.093 0.000 2.476 119 L HA 0.292 4.632 4.340 0.000 0.000 0.269 119 L C -0.008 176.874 176.870 0.020 0.000 0.965 119 L CA -0.489 54.379 54.840 0.047 0.000 0.845 119 L CB 1.837 43.922 42.059 0.043 0.000 1.259 119 L HN 0.226 nan 8.230 nan 0.000 0.403 120 K N -0.283 120.114 120.400 -0.005 0.000 2.564 120 K HA 0.393 4.713 4.320 0.000 0.000 0.205 120 K C -0.740 175.827 176.600 -0.055 0.000 1.053 120 K CA -0.546 55.712 56.287 -0.050 0.000 1.072 120 K CB 0.771 33.232 32.500 -0.065 0.000 0.822 120 K HN 0.377 nan 8.250 nan 0.000 0.497 121 D N 1.704 122.085 120.400 -0.031 0.000 2.497 121 D HA 0.368 5.008 4.640 0.000 0.000 0.243 121 D C -2.639 173.648 176.300 -0.021 0.000 1.039 121 D CA -1.720 52.263 54.000 -0.028 0.000 1.052 121 D CB 1.756 42.545 40.800 -0.020 0.000 1.344 121 D HN -0.105 nan 8.370 nan 0.000 0.553 122 P HA 0.149 nan 4.420 nan 0.000 0.272 122 P C 0.421 177.714 177.300 -0.011 0.000 1.230 122 P CA -0.250 62.841 63.100 -0.015 0.000 0.788 122 P CB 0.577 32.265 31.700 -0.020 0.000 0.949 123 L N -0.121 121.098 121.223 -0.005 0.000 5.272 123 L HA -0.270 4.070 4.340 0.000 0.000 0.439 123 L C 1.408 178.282 176.870 0.006 0.000 1.014 123 L CA 1.272 56.105 54.840 -0.013 0.000 1.156 123 L CB -2.207 39.827 42.059 -0.043 0.000 1.767 123 L HN 0.224 nan 8.230 nan 0.000 0.703 124 V N -1.580 118.341 119.914 0.011 0.000 2.949 124 V HA 0.048 4.168 4.120 0.000 0.000 0.245 124 V C 1.774 177.889 176.094 0.035 0.000 1.086 124 V CA 1.283 63.594 62.300 0.020 0.000 1.097 124 V CB 0.297 32.126 31.823 0.011 0.000 0.762 124 V HN 0.467 nan 8.190 nan 0.000 0.470 125 L N -0.352 120.891 121.223 0.033 0.000 2.354 125 L HA 0.006 4.346 4.340 0.000 0.000 0.212 125 L C 2.326 179.239 176.870 0.072 0.000 1.091 125 L CA 1.075 55.940 54.840 0.042 0.000 0.828 125 L CB -0.121 41.948 42.059 0.017 0.000 0.973 125 L HN 0.292 nan 8.230 nan 0.000 0.461 126 T N 0.565 115.172 114.554 0.089 0.000 2.833 126 T HA -0.130 4.220 4.350 0.000 0.000 0.269 126 T C 1.753 176.585 174.700 0.220 0.000 1.054 126 T CA 1.502 63.699 62.100 0.162 0.000 1.135 126 T CB -0.143 68.832 68.868 0.178 0.000 0.869 126 T HN 0.295 nan 8.240 nan 0.000 0.466 127 L N 1.037 122.359 121.223 0.165 0.000 2.375 127 L HA 0.050 4.390 4.340 0.000 0.000 0.215 127 L C 2.796 179.742 176.870 0.126 0.000 1.108 127 L CA 0.942 55.884 54.840 0.170 0.000 0.830 127 L CB -0.655 41.473 42.059 0.116 0.000 0.959 127 L HN 0.374 nan 8.230 nan 0.000 0.457 128 T N -4.214 110.400 114.554 0.101 0.000 3.043 128 T HA -0.078 4.272 4.350 0.000 0.000 0.263 128 T C 1.928 176.690 174.700 0.102 0.000 1.094 128 T CA 0.392 62.544 62.100 0.087 0.000 1.127 128 T CB -0.533 68.375 68.868 0.067 0.000 0.905 128 T HN 0.236 nan 8.240 nan 0.000 0.490 129 C N 1.265 120.630 119.300 0.110 0.000 2.496 129 C HA 0.039 4.499 4.460 0.000 0.000 0.281 129 C C 2.863 177.935 174.990 0.137 0.000 1.250 129 C CA 0.305 59.388 59.018 0.108 0.000 1.717 129 C CB -1.154 26.641 27.740 0.092 0.000 2.082 129 C HN 0.413 nan 8.230 nan 0.000 0.472 130 V N 1.701 121.708 119.914 0.154 0.000 2.370 130 V HA -0.295 3.825 4.120 0.000 0.000 0.252 130 V C 2.573 178.855 176.094 0.314 0.000 1.068 130 V CA 2.322 64.753 62.300 0.218 0.000 1.061 130 V CB -1.397 30.526 31.823 0.167 0.000 0.656 130 V HN 0.652 nan 8.190 nan 0.000 0.455 131 A N -0.378 122.561 122.820 0.198 0.000 1.835 131 A HA -0.187 4.133 4.320 0.000 0.000 0.215 131 A C 2.457 180.149 177.584 0.180 0.000 1.199 131 A CA 2.072 54.206 52.037 0.161 0.000 0.615 131 A CB -1.001 18.057 19.000 0.096 0.000 0.838 131 A HN 0.358 nan 8.150 nan 0.000 0.444 132 V N 0.040 120.048 119.914 0.156 0.000 2.594 132 V HA -0.193 3.927 4.120 0.000 0.000 0.253 132 V C 2.318 178.577 176.094 0.275 0.000 1.069 132 V CA 1.898 64.304 62.300 0.176 0.000 1.082 132 V CB -0.506 31.434 31.823 0.195 0.000 0.680 132 V HN 0.547 nan 8.190 nan 0.000 0.469 133 L N -1.425 119.936 121.223 0.231 0.000 1.955 133 L HA -0.206 4.134 4.340 0.000 0.000 0.213 133 L C 2.361 179.314 176.870 0.139 0.000 1.072 133 L CA 2.703 57.640 54.840 0.162 0.000 0.755 133 L CB -0.603 41.476 42.059 0.035 0.000 0.888 133 L HN 0.430 nan 8.230 nan 0.000 0.432 134 W N -0.100 121.238 121.300 0.063 0.000 2.421 134 W HA -0.150 4.510 4.660 0.000 0.000 0.270 134 W C 2.336 178.857 176.519 0.003 0.000 1.233 134 W CA 0.596 57.960 57.345 0.032 0.000 1.226 134 W CB -0.438 29.025 29.460 0.005 0.000 1.121 134 W HN 0.134 nan 8.180 nan 0.000 0.579 135 I N -1.171 119.488 120.570 0.149 0.000 2.208 135 I HA -0.324 3.846 4.170 0.000 0.000 0.245 135 I C 1.764 177.749 176.117 -0.220 0.000 1.097 135 I CA 1.469 62.708 61.300 -0.102 0.000 1.363 135 I CB -0.533 37.285 38.000 -0.303 0.000 1.051 135 I HN -0.081 nan 8.210 nan 0.000 0.413 136 F N -0.934 119.044 119.950 0.047 0.000 2.473 136 F HA 0.011 4.538 4.527 0.000 0.000 0.294 136 F C 2.176 177.978 175.800 0.004 0.000 1.103 136 F CA 0.425 58.438 58.000 0.023 0.000 1.442 136 F CB -0.483 38.525 39.000 0.013 0.000 1.097 136 F HN -0.247 nan 8.300 nan 0.000 0.547 137 V N 0.414 120.402 119.914 0.122 0.000 3.241 137 V HA -0.120 4.000 4.120 0.000 0.000 0.269 137 V C 1.443 177.575 176.094 0.064 0.000 1.151 137 V CA 1.503 63.807 62.300 0.006 0.000 1.158 137 V CB -0.332 31.341 31.823 -0.249 0.000 0.764 137 V HN 0.347 nan 8.190 nan 0.000 0.508 138 L N -1.816 119.464 121.223 0.095 0.000 2.672 138 L HA 0.209 4.550 4.340 0.000 0.000 0.236 138 L C 1.873 178.773 176.870 0.050 0.000 1.092 138 L CA 0.231 55.123 54.840 0.088 0.000 0.887 138 L CB 0.147 42.268 42.059 0.104 0.000 1.168 138 L HN 0.223 nan 8.230 nan 0.000 0.502 139 L N -0.277 120.970 121.223 0.040 0.000 2.240 139 L HA -0.043 4.297 4.340 0.000 0.000 0.211 139 L C 2.056 178.969 176.870 0.073 0.000 1.106 139 L CA 0.501 55.365 54.840 0.039 0.000 0.793 139 L CB -0.337 41.737 42.059 0.025 0.000 0.927 139 L HN 0.344 nan 8.230 nan 0.000 0.446 140 N N 0.439 119.194 118.700 0.091 0.000 2.109 140 N HA -0.037 4.703 4.740 0.000 0.000 0.188 140 N C 0.760 176.307 175.510 0.062 0.000 1.034 140 N CA 0.962 54.059 53.050 0.080 0.000 0.846 140 N CB 0.348 38.886 38.487 0.084 0.000 1.010 140 N HN 0.186 nan 8.380 nan 0.000 0.425 141 I N 2.096 122.702 120.570 0.060 0.000 2.330 141 I HA 0.210 4.380 4.170 0.000 0.000 0.286 141 I C -1.057 175.090 176.117 0.049 0.000 1.025 141 I CA -0.401 60.931 61.300 0.053 0.000 1.197 141 I CB 0.542 38.575 38.000 0.055 0.000 1.358 141 I HN -0.306 nan 8.210 nan 0.000 0.467 142 V N 5.515 125.453 119.914 0.039 0.000 2.769 142 V HA 0.898 5.019 4.120 0.000 0.000 0.312 142 V C 0.409 176.524 176.094 0.034 0.000 1.058 142 V CA -0.429 61.892 62.300 0.036 0.000 0.952 142 V CB 1.470 33.311 31.823 0.029 0.000 1.019 142 V HN 0.935 nan 8.190 nan 0.000 0.445 143 G N 3.882 112.703 108.800 0.035 0.000 2.403 143 G HA2 -0.003 3.957 3.960 0.000 0.000 0.393 143 G HA3 -0.003 3.957 3.960 0.000 0.000 0.393 143 G C -2.300 172.623 174.900 0.038 0.000 1.106 143 G CA -0.316 44.804 45.100 0.033 0.000 1.305 143 G HN 0.599 nan 8.290 nan 0.000 0.628 144 P HA 0.014 nan 4.420 nan 0.000 0.221 144 P C 1.693 179.011 177.300 0.029 0.000 1.150 144 P CA 0.941 64.061 63.100 0.033 0.000 0.800 144 P CB 0.270 31.986 31.700 0.027 0.000 0.787 145 K N -1.618 118.798 120.400 0.026 0.000 2.365 145 K HA 0.019 4.339 4.320 0.000 0.000 0.197 145 K C 1.872 178.489 176.600 0.029 0.000 1.042 145 K CA 0.487 56.789 56.287 0.024 0.000 0.987 145 K CB -0.236 32.276 32.500 0.020 0.000 0.779 145 K HN -0.029 nan 8.250 nan 0.000 0.484 146 M N 1.062 120.683 119.600 0.035 0.000 2.073 146 M HA -0.080 4.400 4.480 0.000 0.000 0.259 146 M C 1.550 177.884 176.300 0.057 0.000 1.079 146 M CA 1.629 56.953 55.300 0.040 0.000 1.131 146 M CB -0.207 32.415 32.600 0.037 0.000 1.316 146 M HN 0.117 nan 8.290 nan 0.000 0.415 147 I N -0.860 119.754 120.570 0.074 0.000 2.286 147 I HA -0.140 4.030 4.170 0.000 0.000 0.248 147 I C 2.148 178.313 176.117 0.080 0.000 1.115 147 I CA 1.923 63.288 61.300 0.109 0.000 1.392 147 I CB -2.501 35.576 38.000 0.128 0.000 1.065 147 I HN 0.496 nan 8.210 nan 0.000 0.418 148 T N -1.247 113.336 114.554 0.050 0.000 2.915 148 T HA -0.065 4.285 4.350 0.000 0.000 0.269 148 T C 1.954 176.675 174.700 0.035 0.000 1.071 148 T CA 1.055 63.173 62.100 0.031 0.000 1.132 148 T CB -0.450 68.428 68.868 0.017 0.000 0.878 148 T HN 0.406 nan 8.240 nan 0.000 0.479 149 R N 0.611 121.135 120.500 0.041 0.000 2.057 149 R HA 0.056 4.396 4.340 0.000 0.000 0.229 149 R C 2.672 179.003 176.300 0.052 0.000 1.136 149 R CA 1.255 57.379 56.100 0.039 0.000 0.952 149 R CB -0.909 29.412 30.300 0.035 0.000 0.848 149 R HN 0.266 nan 8.270 nan 0.000 0.430 150 V N 1.464 121.421 119.914 0.073 0.000 2.231 150 V HA -0.348 3.772 4.120 0.000 0.000 0.248 150 V C 2.450 178.602 176.094 0.097 0.000 1.054 150 V CA 2.294 64.656 62.300 0.103 0.000 1.015 150 V CB -0.696 31.230 31.823 0.170 0.000 0.638 150 V HN 0.333 nan 8.190 nan 0.000 0.444 151 Q N 0.440 120.293 119.800 0.088 0.000 2.062 151 Q HA -0.262 4.078 4.340 0.000 0.000 0.209 151 Q C 2.135 178.158 176.000 0.039 0.000 0.996 151 Q CA 2.742 58.576 55.803 0.051 0.000 0.859 151 Q CB -0.742 28.012 28.738 0.027 0.000 0.920 151 Q HN 0.615 nan 8.270 nan 0.000 0.415 152 A N -0.707 122.134 122.820 0.035 0.000 1.917 152 A HA -0.183 4.137 4.320 0.000 0.000 0.219 152 A C 2.275 179.878 177.584 0.032 0.000 1.182 152 A CA 1.929 53.982 52.037 0.027 0.000 0.633 152 A CB -0.859 18.155 19.000 0.024 0.000 0.819 152 A HN 0.316 nan 8.150 nan 0.000 0.448 153 V N -0.488 119.450 119.914 0.040 0.000 2.346 153 V HA -0.138 3.982 4.120 0.000 0.000 0.244 153 V C 3.035 179.156 176.094 0.044 0.000 1.037 153 V CA 1.641 63.966 62.300 0.041 0.000 1.029 153 V CB -1.268 30.581 31.823 0.043 0.000 0.663 153 V HN 0.612 nan 8.190 nan 0.000 0.454 154 A N 1.135 123.987 122.820 0.052 0.000 1.908 154 A HA -0.273 4.047 4.320 0.000 0.000 0.218 154 A C 2.481 180.088 177.584 0.039 0.000 1.181 154 A CA 2.812 54.880 52.037 0.051 0.000 0.627 154 A CB -1.062 17.974 19.000 0.060 0.000 0.818 154 A HN 0.647 nan 8.150 nan 0.000 0.445 155 T N -3.335 111.239 114.554 0.035 0.000 2.951 155 T HA -0.010 4.340 4.350 0.000 0.000 0.268 155 T C 1.636 176.357 174.700 0.035 0.000 1.073 155 T CA 1.197 63.317 62.100 0.032 0.000 1.134 155 T CB -0.455 68.430 68.868 0.028 0.000 0.884 155 T HN 0.046 nan 8.240 nan 0.000 0.479 156 V N 1.414 121.348 119.914 0.034 0.000 2.427 156 V HA -0.015 4.105 4.120 0.000 0.000 0.248 156 V C 2.674 178.791 176.094 0.038 0.000 1.051 156 V CA 1.399 63.719 62.300 0.033 0.000 1.048 156 V CB -0.583 31.259 31.823 0.031 0.000 0.666 156 V HN 0.480 nan 8.190 nan 0.000 0.456 157 L N 0.009 121.257 121.223 0.042 0.000 2.072 157 L HA -0.046 4.294 4.340 0.000 0.000 0.205 157 L C 2.605 179.506 176.870 0.052 0.000 1.079 157 L CA 1.473 56.342 54.840 0.048 0.000 0.752 157 L CB -0.791 41.300 42.059 0.053 0.000 0.906 157 L HN 0.324 nan 8.230 nan 0.000 0.436 158 A N -0.520 122.330 122.820 0.050 0.000 2.172 158 A HA -0.119 4.201 4.320 0.000 0.000 0.216 158 A C 2.120 179.741 177.584 0.062 0.000 1.154 158 A CA 1.069 53.139 52.037 0.056 0.000 0.701 158 A CB -0.342 18.684 19.000 0.043 0.000 0.789 158 A HN 0.324 nan 8.150 nan 0.000 0.465 159 L N -0.977 120.278 121.223 0.053 0.000 2.298 159 L HA 0.050 4.390 4.340 0.000 0.000 0.209 159 L C 2.266 179.167 176.870 0.052 0.000 1.084 159 L CA 1.041 55.913 54.840 0.053 0.000 0.816 159 L CB -0.179 41.905 42.059 0.041 0.000 0.967 159 L HN 0.122 nan 8.230 nan 0.000 0.460 160 V N 1.642 121.585 119.914 0.047 0.000 2.277 160 V HA -0.265 3.856 4.120 0.000 0.000 0.253 160 V C -0.220 175.902 176.094 0.045 0.000 1.067 160 V CA 2.517 64.843 62.300 0.042 0.000 1.047 160 V CB -2.100 29.745 31.823 0.037 0.000 0.649 160 V HN 0.420 nan 8.190 nan 0.000 0.447 161 P HA -0.112 nan 4.420 nan 0.000 0.214 161 P C 1.842 179.188 177.300 0.077 0.000 1.162 161 P CA 1.671 64.808 63.100 0.061 0.000 0.874 161 P CB -0.052 31.693 31.700 0.076 0.000 0.784 162 I N -0.433 120.189 120.570 0.086 0.000 2.252 162 I HA -0.143 4.027 4.170 0.000 0.000 0.245 162 I C 2.698 178.854 176.117 0.065 0.000 1.102 162 I CA 1.022 62.373 61.300 0.085 0.000 1.385 162 I CB -0.935 37.119 38.000 0.090 0.000 1.064 162 I HN -0.178 nan 8.210 nan 0.000 0.414 163 V N 1.477 121.426 119.914 0.058 0.000 2.626 163 V HA -0.108 4.012 4.120 0.000 0.000 0.252 163 V C 2.279 178.406 176.094 0.054 0.000 1.067 163 V CA 2.085 64.417 62.300 0.053 0.000 1.081 163 V CB -0.570 31.279 31.823 0.043 0.000 0.686 163 V HN 0.516 nan 8.190 nan 0.000 0.468 164 G N 0.121 108.951 108.800 0.050 0.000 2.484 164 G HA2 -0.082 3.878 3.960 0.000 0.000 0.218 164 G HA3 -0.082 3.878 3.960 0.000 0.000 0.218 164 G C 0.968 175.896 174.900 0.046 0.000 1.130 164 G CA 0.226 45.353 45.100 0.045 0.000 0.784 164 G HN 0.478 nan 8.290 nan 0.000 0.543 165 I N 2.098 122.697 120.570 0.049 0.000 3.309 165 I HA 0.218 4.388 4.170 0.000 0.000 0.287 165 I C 1.339 177.481 176.117 0.041 0.000 1.221 165 I CA -0.484 60.830 61.300 0.024 0.000 1.575 165 I CB -0.786 37.225 38.000 0.019 0.000 1.254 165 I HN 0.134 nan 8.210 nan 0.000 0.600 166 A N 2.180 125.054 122.820 0.090 0.000 2.713 166 A HA 0.434 4.754 4.320 0.000 0.000 0.296 166 A C 0.430 178.142 177.584 0.214 0.000 1.255 166 A CA -0.194 51.954 52.037 0.185 0.000 0.955 166 A CB -0.147 18.933 19.000 0.134 0.000 1.149 166 A HN 0.161 nan 8.150 nan 0.000 0.538 167 V N -2.775 117.222 119.914 0.137 0.000 2.305 167 V HA 0.472 4.592 4.120 0.000 0.000 0.275 167 V C -0.276 175.871 176.094 0.088 0.000 1.020 167 V CA -0.349 62.027 62.300 0.126 0.000 0.811 167 V CB -0.205 31.651 31.823 0.056 0.000 1.031 167 V HN 0.308 nan 8.190 nan 0.000 0.439 168 F N 2.894 122.855 119.950 0.018 0.000 2.757 168 F HA 0.542 5.069 4.527 0.000 0.000 0.292 168 F C 1.536 177.346 175.800 0.018 0.000 1.204 168 F CA -0.271 57.739 58.000 0.017 0.000 1.417 168 F CB 0.391 39.400 39.000 0.014 0.000 1.001 168 F HN 0.645 nan 8.300 nan 0.000 0.508 169 G N 0.010 108.876 108.800 0.109 0.000 2.428 169 G HA2 0.431 4.392 3.960 0.000 0.000 0.320 169 G HA3 0.431 4.392 3.960 0.000 0.000 0.320 169 G C -1.274 173.646 174.900 0.034 0.000 1.098 169 G CA -0.236 44.908 45.100 0.074 0.000 0.984 169 G HN 0.290 nan 8.290 nan 0.000 0.444 170 W N 1.716 123.036 121.300 0.034 0.000 2.934 170 W HA 0.662 5.322 4.660 0.000 0.000 0.333 170 W C -0.210 176.340 176.519 0.053 0.000 1.035 170 W CA -2.073 55.308 57.345 0.060 0.000 1.256 170 W CB -0.494 28.998 29.460 0.054 0.000 1.306 170 W HN 1.065 nan 8.180 nan 0.000 0.430 171 F N 1.249 121.246 119.950 0.078 0.000 2.629 171 F HA 0.458 4.985 4.527 0.000 0.000 0.377 171 F C 0.416 176.249 175.800 0.054 0.000 1.101 171 F CA -0.187 57.852 58.000 0.065 0.000 1.301 171 F CB -0.308 38.764 39.000 0.121 0.000 1.062 171 F HN 1.846 nan 8.300 nan 0.000 0.583 172 W N 1.721 123.043 121.300 0.038 0.000 2.532 172 W HA 0.695 5.355 4.660 0.000 0.000 0.321 172 W C -0.085 176.452 176.519 0.031 0.000 1.037 172 W CA -2.053 55.311 57.345 0.032 0.000 1.220 172 W CB -0.590 28.884 29.460 0.022 0.000 1.361 172 W HN 2.139 nan 8.180 nan 0.000 0.468 173 F N 1.898 121.867 119.950 0.032 0.000 2.613 173 F HA 0.439 4.966 4.527 0.000 0.000 0.373 173 F C 0.316 176.130 175.800 0.022 0.000 1.085 173 F CA 0.418 58.436 58.000 0.030 0.000 1.309 173 F CB -0.891 38.124 39.000 0.024 0.000 0.986 173 F HN 1.527 nan 8.300 nan 0.000 0.592 183 N N 1.512 120.200 118.700 -0.019 0.000 2.874 183 N HA 0.593 5.333 4.740 0.000 0.000 0.316 183 N C 0.111 175.606 175.510 -0.026 0.000 1.205 183 N CA 1.212 54.249 53.050 -0.021 0.000 1.180 183 N CB -0.591 37.886 38.487 -0.017 0.000 1.450 183 N HN 1.833 nan 8.380 nan 0.000 0.528 184 V N -0.541 119.355 119.914 -0.031 0.000 2.834 184 V HA 0.769 4.890 4.120 0.000 0.000 0.301 184 V C 1.124 177.198 176.094 -0.033 0.000 1.066 184 V CA -0.352 61.926 62.300 -0.036 0.000 1.052 184 V CB 0.577 32.376 31.823 -0.040 0.000 1.021 184 V HN 0.878 nan 8.190 nan 0.000 0.480 185 S N 2.596 118.275 115.700 -0.035 0.000 2.498 185 S HA 0.503 4.973 4.470 0.000 0.000 0.281 185 S C 1.668 176.251 174.600 -0.029 0.000 1.265 185 S CA 0.580 58.761 58.200 -0.031 0.000 1.071 185 S CB -0.301 62.879 63.200 -0.034 0.000 0.894 185 S HN 2.716 nan 8.310 nan 0.000 0.491 186 G N 1.618 110.403 108.800 -0.024 0.000 4.674 186 G HA2 -0.176 3.784 3.960 0.000 0.000 0.322 186 G HA3 -0.176 3.784 3.960 0.000 0.000 0.322 186 G C 1.075 175.963 174.900 -0.021 0.000 1.649 186 G CA 2.545 47.632 45.100 -0.021 0.000 1.604 186 G HN 2.092 nan 8.290 nan 0.000 0.855 187 M N 0.236 119.823 119.600 -0.022 0.000 2.167 187 M HA 0.661 5.141 4.480 0.000 0.000 0.300 187 M C 1.197 177.485 176.300 -0.019 0.000 1.171 187 M CA 1.336 56.625 55.300 -0.019 0.000 1.171 187 M CB -1.600 30.989 32.600 -0.018 0.000 1.396 187 M HN 2.280 nan 8.290 nan 0.000 0.466 188 N N 0.353 119.045 118.700 -0.013 0.000 2.267 188 N HA 0.433 5.173 4.740 0.000 0.000 0.226 188 N C 1.450 176.948 175.510 -0.020 0.000 1.314 188 N CA 0.948 53.990 53.050 -0.014 0.000 0.887 188 N CB -0.924 nan 38.487 nan 0.000 1.120 188 N HN 1.712 nan 8.380 nan 0.000 0.440 189 T N -1.462 113.074 114.554 -0.030 0.000 2.737 189 T HA 0.063 4.413 4.350 0.000 0.000 0.269 189 T C 2.154 176.849 174.700 -0.009 0.000 1.040 189 T CA 3.431 65.503 62.100 -0.048 0.000 1.142 189 T CB -1.154 67.659 68.868 -0.091 0.000 0.861 189 T HN 1.182 nan 8.240 nan 0.000 0.456 190 F N 1.299 121.259 119.950 0.018 0.000 2.098 190 F HA 0.369 4.896 4.527 0.000 0.000 0.294 190 F C 2.962 178.778 175.800 0.026 0.000 1.107 190 F CA 1.093 59.123 58.000 0.050 0.000 1.234 190 F CB -1.306 37.734 39.000 0.066 0.000 1.002 190 F HN 0.422 nan 8.300 nan 0.000 0.472 191 G N -0.670 108.137 108.800 0.011 0.000 2.535 191 G HA2 0.134 4.094 3.960 0.000 0.000 0.218 191 G HA3 0.134 4.094 3.960 0.000 0.000 0.218 191 G C 1.770 176.651 174.900 -0.031 0.000 1.122 191 G CA 1.272 46.368 45.100 -0.007 0.000 0.769 191 G HN 0.976 nan 8.290 nan 0.000 0.549 192 A N 0.522 123.324 122.820 -0.030 0.000 1.911 192 A HA 0.385 4.705 4.320 0.000 0.000 0.212 192 A C 2.656 180.205 177.584 -0.059 0.000 1.189 192 A CA 1.349 53.359 52.037 -0.045 0.000 0.639 192 A CB -0.493 18.483 19.000 -0.041 0.000 0.839 192 A HN 0.770 nan 8.150 nan 0.000 0.449 193 I N -0.495 120.053 120.570 -0.037 0.000 2.493 193 I HA -0.199 3.971 4.170 0.000 0.000 0.254 193 I C 2.237 178.270 176.117 -0.141 0.000 1.160 193 I CA 2.207 63.478 61.300 -0.048 0.000 1.445 193 I CB -1.556 36.468 38.000 0.040 0.000 1.086 193 I HN 0.595 nan 8.210 nan 0.000 0.433 194 Q N 1.003 120.715 119.800 -0.146 0.000 2.167 194 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 194 Q C 2.461 178.318 176.000 -0.238 0.000 0.970 194 Q CA 1.838 57.491 55.803 -0.250 0.000 0.855 194 Q CB -0.209 28.426 28.738 -0.172 0.000 0.911 194 Q HN 0.924 nan 8.270 nan 0.000 0.438 195 S N -0.865 114.737 115.700 -0.163 0.000 2.562 195 S HA 0.019 4.489 4.470 0.000 0.000 0.221 195 S C 1.689 176.191 174.600 -0.164 0.000 0.975 195 S CA 0.622 58.735 58.200 -0.145 0.000 0.918 195 S CB 0.097 63.234 63.200 -0.104 0.000 0.772 195 S HN 0.161 nan 8.310 nan 0.000 0.531 196 T N 2.748 117.188 114.554 -0.189 0.000 2.978 196 T HA 0.278 4.628 4.350 0.000 0.000 0.262 196 T C 1.591 176.121 174.700 -0.285 0.000 1.063 196 T CA 0.483 62.444 62.100 -0.231 0.000 1.140 196 T CB -0.307 68.422 68.868 -0.232 0.000 0.886 196 T HN 0.294 nan 8.240 nan 0.000 0.470 197 L N 1.330 122.378 121.223 -0.293 0.000 2.093 197 L HA -0.047 4.293 4.340 0.000 0.000 0.208 197 L C 2.124 178.867 176.870 -0.213 0.000 1.085 197 L CA 0.814 55.463 54.840 -0.317 0.000 0.755 197 L CB -0.730 41.044 42.059 -0.475 0.000 0.904 197 L HN 0.172 nan 8.230 nan 0.000 0.435 198 N N -0.438 118.158 118.700 -0.173 0.000 2.503 198 N HA -0.135 4.605 4.740 0.000 0.000 0.189 198 N C 1.407 176.916 175.510 -0.002 0.000 1.048 198 N CA 0.929 53.945 53.050 -0.057 0.000 0.905 198 N CB -0.101 38.330 38.487 -0.095 0.000 0.951 198 N HN 0.212 nan 8.380 nan 0.000 0.446 199 V N -1.249 118.619 119.914 -0.076 0.000 3.219 199 V HA 0.010 4.130 4.120 0.000 0.000 0.240 199 V C 2.039 178.089 176.094 -0.074 0.000 1.222 199 V CA 1.360 63.616 62.300 -0.073 0.000 1.181 199 V CB -0.070 31.662 31.823 -0.152 0.000 0.941 199 V HN 0.350 nan 8.190 nan 0.000 0.471 200 T N -1.554 112.876 114.554 -0.206 0.000 3.067 200 T HA 0.097 4.447 4.350 0.000 0.000 0.261 200 T C 1.807 176.536 174.700 0.048 0.000 1.110 200 T CA 0.764 62.713 62.100 -0.252 0.000 1.113 200 T CB -0.121 68.308 68.868 -0.732 0.000 0.917 200 T HN 0.275 nan 8.240 nan 0.000 0.499 201 L N -1.059 120.151 121.223 -0.022 0.000 2.023 201 L HA 0.145 4.485 4.340 0.000 0.000 0.205 201 L C 1.848 178.695 176.870 -0.039 0.000 1.073 201 L CA 1.078 55.844 54.840 -0.123 0.000 0.745 201 L CB -0.430 41.372 42.059 -0.428 0.000 0.900 201 L HN 0.346 nan 8.230 nan 0.000 0.435 202 W N -0.201 121.101 121.300 0.003 0.000 3.446 202 W HA 0.006 4.666 4.660 0.000 0.000 0.298 202 W C 2.098 178.660 176.519 0.073 0.000 1.299 202 W CA 0.384 57.748 57.345 0.032 0.000 1.686 202 W CB -0.463 28.981 29.460 -0.027 0.000 1.046 202 W HN 0.170 nan 8.180 nan 0.000 0.746 203 S N -2.084 113.779 115.700 0.272 0.000 2.511 203 S HA 0.084 4.554 4.470 0.000 0.000 0.214 203 S C 1.041 175.707 174.600 0.110 0.000 0.997 203 S CA 0.047 58.365 58.200 0.196 0.000 0.908 203 S CB -0.470 62.833 63.200 0.172 0.000 0.803 203 S HN 0.148 nan 8.310 nan 0.000 0.504 204 F N 1.466 121.591 119.950 0.291 0.000 2.678 204 F HA 0.498 5.026 4.527 0.000 0.000 0.305 204 F C 0.379 176.278 175.800 0.165 0.000 1.090 204 F CA -0.879 57.249 58.000 0.213 0.000 1.272 204 F CB 0.338 39.445 39.000 0.178 0.000 1.060 204 F HN 0.109 nan 8.300 nan 0.000 0.576 205 I N 1.584 122.333 120.570 0.298 0.000 2.725 205 I HA 0.051 4.221 4.170 0.000 0.000 0.296 205 I C 1.256 177.630 176.117 0.428 0.000 1.155 205 I CA 0.933 62.415 61.300 0.303 0.000 1.450 205 I CB -1.049 37.127 38.000 0.293 0.000 1.478 205 I HN 0.409 nan 8.210 nan 0.000 0.642 206 G N 4.727 113.808 108.800 0.468 0.000 4.258 206 G HA2 0.008 3.968 3.960 0.000 0.000 0.208 206 G HA3 0.008 3.968 3.960 0.000 0.000 0.208 206 G C 0.316 175.347 174.900 0.218 0.000 0.777 206 G CA 0.280 45.649 45.100 0.449 0.000 0.836 206 G HN 0.404 nan 8.290 nan 0.000 0.499 207 V N 0.165 120.211 119.914 0.220 0.000 3.960 207 V HA 0.446 4.566 4.120 0.000 0.000 0.274 207 V C 1.582 177.591 176.094 -0.143 0.000 0.973 207 V CA 1.735 64.071 62.300 0.060 0.000 0.981 207 V CB 0.209 32.086 31.823 0.089 0.000 1.222 207 V HN 1.533 nan 8.190 nan 0.000 0.437 208 E N -1.257 118.705 120.200 -0.397 0.000 3.208 208 E HA -0.334 4.016 4.350 0.000 0.000 0.277 208 E C 1.071 177.418 176.600 -0.421 0.000 0.989 208 E CA 1.879 57.816 56.400 -0.772 0.000 0.850 208 E CB -2.817 25.814 29.700 -1.782 0.000 1.429 208 E HN 1.468 nan 8.360 nan 0.000 0.463 209 S N -0.615 114.920 115.700 -0.275 0.000 2.383 209 S HA 0.078 4.548 4.470 0.000 0.000 0.227 209 S C 2.115 176.596 174.600 -0.199 0.000 1.026 209 S CA 0.981 59.018 58.200 -0.271 0.000 0.981 209 S CB -0.343 62.673 63.200 -0.306 0.000 0.818 209 S HN 0.784 nan 8.310 nan 0.000 0.472 210 A N 1.458 124.192 122.820 -0.144 0.000 2.016 210 A HA 0.175 4.495 4.320 0.000 0.000 0.217 210 A C 2.319 179.868 177.584 -0.058 0.000 1.162 210 A CA 1.203 53.190 52.037 -0.084 0.000 0.662 210 A CB -0.805 18.166 19.000 -0.048 0.000 0.812 210 A HN 0.518 nan 8.150 nan 0.000 0.450 211 S N -0.114 115.547 115.700 -0.064 0.000 2.402 211 S HA -0.112 4.358 4.470 0.000 0.000 0.229 211 S C 1.803 176.350 174.600 -0.089 0.000 1.021 211 S CA 1.558 59.765 58.200 0.013 0.000 0.974 211 S CB -0.358 62.946 63.200 0.173 0.000 0.800 211 S HN 0.672 nan 8.310 nan 0.000 0.484 212 V N -0.277 119.542 119.914 -0.158 0.000 3.052 212 V HA 0.304 4.424 4.120 0.000 0.000 0.254 212 V C 2.217 178.256 176.094 -0.092 0.000 1.100 212 V CA 0.794 62.999 62.300 -0.158 0.000 1.112 212 V CB -1.188 30.520 31.823 -0.192 0.000 0.738 212 V HN 0.380 nan 8.190 nan 0.000 0.469 213 A N 1.102 123.872 122.820 -0.084 0.000 2.015 213 A HA 0.387 4.708 4.320 0.000 0.000 0.219 213 A C 1.733 179.297 177.584 -0.032 0.000 1.163 213 A CA 0.917 52.920 52.037 -0.057 0.000 0.646 213 A CB -0.783 18.178 19.000 -0.064 0.000 0.806 213 A HN 0.923 nan 8.150 nan 0.000 0.448 214 A N -1.948 120.856 122.820 -0.028 0.000 2.577 214 A HA 0.391 4.711 4.320 0.000 0.000 0.233 214 A C 1.825 179.404 177.584 -0.008 0.000 1.076 214 A CA 0.925 52.956 52.037 -0.010 0.000 0.767 214 A CB -0.613 18.389 19.000 0.004 0.000 1.017 214 A HN 2.093 nan 8.150 nan 0.000 0.511 215 G N -0.473 108.328 108.800 0.002 0.000 2.358 215 G HA2 -0.224 3.736 3.960 0.000 0.000 0.224 215 G HA3 -0.224 3.736 3.960 0.000 0.000 0.224 215 G C 0.643 175.548 174.900 0.008 0.000 1.073 215 G CA 0.744 45.848 45.100 0.006 0.000 0.635 215 G HN 1.483 nan 8.290 nan 0.000 0.509 216 V N -0.104 119.813 119.914 0.004 0.000 6.042 216 V HA 0.708 4.828 4.120 0.000 0.000 0.274 216 V C 2.328 178.424 176.094 0.002 0.000 1.560 216 V CA 0.639 62.942 62.300 0.005 0.000 0.633 216 V CB 0.302 32.127 31.823 0.005 0.000 1.429 216 V HN 1.126 nan 8.190 nan 0.000 0.386 217 V N -1.903 118.011 119.914 -0.000 0.000 0.456 217 V HA -0.363 3.757 4.120 0.000 0.000 0.092 217 V C 0.529 176.624 176.094 0.003 0.000 2.503 217 V CA 2.059 64.358 62.300 -0.002 0.000 3.694 217 V CB -1.868 29.953 31.823 -0.004 0.000 0.970 217 V HN 1.030 nan 8.190 nan 0.000 1.019 218 K N -0.531 119.872 120.400 0.005 0.000 7.314 218 K HA -0.169 4.151 4.320 0.000 0.000 0.694 218 K C 0.128 176.732 176.600 0.006 0.000 2.568 218 K CA 1.006 57.297 56.287 0.007 0.000 1.889 218 K CB -0.930 31.574 32.500 0.007 0.000 2.060 218 K HN 0.968 nan 8.250 nan 0.000 0.284 219 N N -2.253 116.451 118.700 0.007 0.000 2.989 219 N HA -0.113 4.627 4.740 0.000 0.000 0.247 219 N C -2.776 172.739 175.510 0.008 0.000 1.119 219 N CA 0.731 53.785 53.050 0.007 0.000 0.755 219 N CB -0.974 37.517 38.487 0.007 0.000 1.100 219 N HN 0.393 nan 8.380 nan 0.000 0.550 220 P HA 0.055 nan 4.420 nan 0.000 0.280 220 P C 0.797 178.104 177.300 0.012 0.000 1.278 220 P CA 0.060 63.167 63.100 0.012 0.000 0.787 220 P CB 0.384 32.092 31.700 0.014 0.000 1.163 221 K N -2.287 118.122 120.400 0.014 0.000 3.606 221 K HA -0.256 4.064 4.320 0.000 0.000 0.279 221 K C 1.261 177.865 176.600 0.008 0.000 1.137 221 K CA 1.158 57.450 56.287 0.008 0.000 1.058 221 K CB -0.572 31.931 32.500 0.005 0.000 1.343 221 K HN 0.265 nan 8.250 nan 0.000 0.462 222 R N -1.216 119.291 120.500 0.010 0.000 2.493 222 R HA 0.218 4.558 4.340 0.000 0.000 0.177 222 R C 1.360 177.666 176.300 0.011 0.000 0.861 222 R CA 0.864 56.970 56.100 0.011 0.000 1.083 222 R CB -0.768 29.538 30.300 0.011 0.000 1.328 222 R HN 0.089 nan 8.270 nan 0.000 0.615 223 N N 1.149 119.855 118.700 0.010 0.000 2.120 223 N HA -0.104 4.636 4.740 0.000 0.000 0.188 223 N C 1.886 177.401 175.510 0.009 0.000 1.024 223 N CA 1.223 54.278 53.050 0.008 0.000 0.852 223 N CB -0.391 38.100 38.487 0.006 0.000 1.003 223 N HN -0.088 nan 8.380 nan 0.000 0.424 224 V N 1.820 121.740 119.914 0.011 0.000 2.231 224 V HA -0.208 3.912 4.120 0.000 0.000 0.248 224 V C -0.662 175.444 176.094 0.019 0.000 1.054 224 V CA 1.994 64.303 62.300 0.015 0.000 1.015 224 V CB -1.574 30.266 31.823 0.028 0.000 0.638 224 V HN 0.269 nan 8.190 nan 0.000 0.444 225 P HA -0.108 nan 4.420 nan 0.000 0.217 225 P C 1.811 179.122 177.300 0.019 0.000 1.150 225 P CA 1.495 64.610 63.100 0.024 0.000 0.832 225 P CB -0.086 31.625 31.700 0.018 0.000 0.787 226 I N -0.782 119.796 120.570 0.015 0.000 2.226 226 I HA -0.252 3.918 4.170 0.000 0.000 0.245 226 I C 2.311 178.433 176.117 0.008 0.000 1.100 226 I CA 1.598 62.905 61.300 0.011 0.000 1.374 226 I CB -0.815 37.190 38.000 0.010 0.000 1.057 226 I HN -0.069 nan 8.210 nan 0.000 0.413 227 A N 0.190 123.013 122.820 0.005 0.000 1.872 227 A HA -0.156 4.164 4.320 0.000 0.000 0.214 227 A C 2.363 179.947 177.584 -0.001 0.000 1.187 227 A CA 2.072 54.109 52.037 -0.001 0.000 0.614 227 A CB -1.076 17.920 19.000 -0.007 0.000 0.826 227 A HN 0.318 nan 8.150 nan 0.000 0.442 228 T N 0.161 114.716 114.554 0.002 0.000 2.849 228 T HA -0.093 4.257 4.350 0.000 0.000 0.270 228 T C 1.602 176.308 174.700 0.011 0.000 1.066 228 T CA 1.333 63.435 62.100 0.005 0.000 1.130 228 T CB -0.214 68.670 68.868 0.026 0.000 0.864 228 T HN 0.278 nan 8.240 nan 0.000 0.481 229 I N 0.298 120.874 120.570 0.011 0.000 2.810 229 I HA 0.148 4.318 4.170 0.000 0.000 0.262 229 I C 2.749 178.866 176.117 0.000 0.000 1.131 229 I CA 0.805 62.108 61.300 0.005 0.000 1.453 229 I CB -1.453 36.552 38.000 0.010 0.000 1.161 229 I HN 0.249 nan 8.210 nan 0.000 0.444 230 G N 0.907 109.709 108.800 0.002 0.000 2.433 230 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 230 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 230 G C 1.696 176.597 174.900 0.001 0.000 1.186 230 G CA 0.881 45.981 45.100 0.001 0.000 0.779 230 G HN 0.439 nan 8.290 nan 0.000 0.543 231 G N 0.477 109.279 108.800 0.003 0.000 2.446 231 G HA2 -0.187 3.773 3.960 0.000 0.000 0.217 231 G HA3 -0.187 3.773 3.960 0.000 0.000 0.217 231 G C 1.818 176.729 174.900 0.018 0.000 1.168 231 G CA 1.463 46.567 45.100 0.006 0.000 0.771 231 G HN 0.338 nan 8.290 nan 0.000 0.551 232 V N 1.038 120.971 119.914 0.033 0.000 2.287 232 V HA -0.119 4.001 4.120 0.000 0.000 0.248 232 V C 2.712 178.832 176.094 0.042 0.000 1.053 232 V CA 1.283 63.625 62.300 0.070 0.000 1.027 232 V CB -0.535 31.295 31.823 0.012 0.000 0.646 232 V HN 0.279 nan 8.190 nan 0.000 0.447 233 L N -0.336 120.887 121.223 0.000 0.000 2.079 233 L HA -0.162 4.178 4.340 0.000 0.000 0.210 233 L C 2.263 179.125 176.870 -0.013 0.000 1.081 233 L CA 2.119 56.952 54.840 -0.012 0.000 0.752 233 L CB -0.635 41.416 42.059 -0.014 0.000 0.896 233 L HN 0.298 nan 8.230 nan 0.000 0.433 234 I N -0.203 120.359 120.570 -0.014 0.000 2.113 234 I HA -0.270 3.900 4.170 0.000 0.000 0.238 234 I C 2.664 178.741 176.117 -0.066 0.000 1.070 234 I CA 1.284 62.569 61.300 -0.026 0.000 1.332 234 I CB -0.516 37.474 38.000 -0.018 0.000 1.044 234 I HN 0.221 nan 8.210 nan 0.000 0.402 235 A N 0.636 123.395 122.820 -0.101 0.000 2.019 235 A HA -0.129 4.191 4.320 0.000 0.000 0.219 235 A C 2.483 179.799 177.584 -0.447 0.000 1.164 235 A CA 1.725 53.575 52.037 -0.311 0.000 0.644 235 A CB -0.709 18.073 19.000 -0.363 0.000 0.805 235 A HN 0.474 nan 8.150 nan 0.000 0.449 236 A N -0.621 122.148 122.820 -0.086 0.000 1.898 236 A HA 0.013 4.333 4.320 0.000 0.000 0.216 236 A C 2.214 179.753 177.584 -0.076 0.000 1.181 236 A CA 1.759 53.822 52.037 0.043 0.000 0.620 236 A CB -0.806 18.242 19.000 0.079 0.000 0.819 236 A HN 0.362 nan 8.150 nan 0.000 0.442 237 V N -0.898 118.976 119.914 -0.067 0.000 2.379 237 V HA -0.262 3.858 4.120 0.000 0.000 0.245 237 V C 2.527 178.592 176.094 -0.049 0.000 1.044 237 V CA 1.878 64.146 62.300 -0.054 0.000 1.036 237 V CB -0.887 30.920 31.823 -0.027 0.000 0.664 237 V HN 0.693 nan 8.190 nan 0.000 0.453 238 C N -0.979 118.290 119.300 -0.051 0.000 2.422 238 C HA -0.124 4.336 4.460 0.000 0.000 0.286 238 C C 2.380 177.432 174.990 0.103 0.000 1.412 238 C CA 0.584 59.610 59.018 0.012 0.000 1.786 238 C CB -1.460 26.286 27.740 0.010 0.000 1.835 238 C HN 0.597 nan 8.230 nan 0.000 0.533 239 Y N -0.634 119.524 120.300 -0.237 0.000 2.205 239 Y HA -0.099 4.451 4.550 0.000 0.000 0.292 239 Y C 2.656 178.222 175.900 -0.556 0.000 1.119 239 Y CA 0.555 58.393 58.100 -0.435 0.000 1.117 239 Y CB -0.304 37.727 38.460 -0.715 0.000 1.037 239 Y HN 0.021 nan 8.280 nan 0.000 0.510 240 V N 0.982 120.644 119.914 -0.419 0.000 2.237 240 V HA -0.301 3.819 4.120 0.000 0.000 0.245 240 V C 1.574 177.608 176.094 -0.101 0.000 1.046 240 V CA 1.472 63.536 62.300 -0.393 0.000 1.007 240 V CB -0.598 31.064 31.823 -0.268 0.000 0.638 240 V HN 0.340 nan 8.190 nan 0.000 0.445 241 L N 0.120 121.340 121.223 -0.005 0.000 2.933 241 L HA 0.083 4.423 4.340 0.000 0.000 0.258 241 L C 1.422 178.355 176.870 0.105 0.000 1.253 241 L CA 0.655 55.591 54.840 0.160 0.000 1.096 241 L CB -0.376 41.776 42.059 0.154 0.000 1.432 241 L HN 0.380 nan 8.230 nan 0.000 0.418 242 S N -1.463 114.235 115.700 -0.003 0.000 3.718 242 S HA -0.086 4.384 4.470 0.000 0.000 0.238 242 S C 1.760 176.280 174.600 -0.135 0.000 1.136 242 S CA 0.552 58.708 58.200 -0.074 0.000 0.950 242 S CB -0.083 63.091 63.200 -0.044 0.000 1.096 242 S HN 0.485 nan 8.310 nan 0.000 0.467 243 T N 0.565 115.051 114.554 -0.115 0.000 3.007 243 T HA -0.034 4.316 4.350 0.000 0.000 0.270 243 T C 1.741 176.432 174.700 -0.016 0.000 1.107 243 T CA 2.077 64.133 62.100 -0.073 0.000 1.118 243 T CB -0.780 68.141 68.868 0.089 0.000 0.889 243 T HN 0.584 nan 8.240 nan 0.000 0.506 244 T N -1.409 113.148 114.554 0.004 0.000 3.023 244 T HA 0.493 4.843 4.350 0.000 0.000 0.249 244 T C 2.181 176.864 174.700 -0.028 0.000 1.050 244 T CA 0.391 62.527 62.100 0.059 0.000 1.088 244 T CB -0.419 68.542 68.868 0.156 0.000 0.946 244 T HN 0.388 nan 8.240 nan 0.000 0.480 245 A N 1.918 124.629 122.820 -0.181 0.000 2.216 245 A HA 0.370 4.690 4.320 0.000 0.000 0.214 245 A C 1.714 179.083 177.584 -0.359 0.000 1.160 245 A CA 0.839 52.522 52.037 -0.590 0.000 0.725 245 A CB -0.907 17.656 19.000 -0.728 0.000 0.784 245 A HN 0.926 nan 8.150 nan 0.000 0.472 246 I N -3.722 116.721 120.570 -0.212 0.000 3.176 246 I HA 0.508 4.678 4.170 0.000 0.000 0.339 246 I C -0.316 175.743 176.117 -0.097 0.000 1.505 246 I CA -0.466 60.744 61.300 -0.150 0.000 0.969 246 I CB 0.153 38.024 38.000 -0.215 0.000 1.636 246 I HN 0.207 nan 8.210 nan 0.000 0.523 247 M N -0.170 119.392 119.600 -0.064 0.000 3.568 247 M HA 0.491 4.971 4.480 0.000 0.000 0.361 247 M C -0.626 175.679 176.300 0.007 0.000 1.442 247 M CA -0.429 54.857 55.300 -0.024 0.000 0.646 247 M CB -0.561 32.025 32.600 -0.024 0.000 3.166 247 M HN 0.112 nan 8.290 nan 0.000 0.454 248 G N 1.792 110.599 108.800 0.012 0.000 2.509 248 G HA2 0.574 4.534 3.960 0.000 0.000 0.269 248 G HA3 0.574 4.534 3.960 0.000 0.000 0.269 248 G C 0.702 175.574 174.900 -0.046 0.000 1.416 248 G CA -0.220 44.876 45.100 -0.007 0.000 1.052 248 G HN 0.746 nan 8.290 nan 0.000 0.542 249 M N -1.019 118.553 119.600 -0.047 0.000 2.421 249 M HA 0.329 4.809 4.480 0.000 0.000 0.258 249 M C 1.947 178.245 176.300 -0.002 0.000 1.122 249 M CA 0.691 55.984 55.300 -0.011 0.000 1.078 249 M CB -0.910 31.689 32.600 -0.002 0.000 1.380 249 M HN 0.432 nan 8.290 nan 0.000 0.499 250 I N 2.652 123.222 120.570 -0.001 0.000 2.072 250 I HA -0.127 4.043 4.170 0.000 0.000 0.235 250 I C -0.476 175.663 176.117 0.037 0.000 1.058 250 I CA 1.416 62.732 61.300 0.028 0.000 1.320 250 I CB -1.937 36.104 38.000 0.068 0.000 1.047 250 I HN 0.234 nan 8.210 nan 0.000 0.397 251 P HA 0.170 nan 4.420 nan 0.000 0.248 251 P C -0.757 176.558 177.300 0.025 0.000 1.708 251 P CA -0.194 62.938 63.100 0.052 0.000 1.062 251 P CB -0.437 31.319 31.700 0.094 0.000 1.562 252 N N 1.089 119.797 118.700 0.015 0.000 2.412 252 N HA 0.210 4.950 4.740 0.000 0.000 0.254 252 N C 0.773 176.288 175.510 0.008 0.000 1.232 252 N CA 0.380 53.435 53.050 0.008 0.000 0.880 252 N CB 0.523 39.015 38.487 0.008 0.000 1.076 252 N HN 0.176 nan 8.380 nan 0.000 0.458 253 A N 1.476 124.298 122.820 0.004 0.000 3.538 253 A HA 0.715 5.035 4.320 0.000 0.000 0.174 253 A C 0.808 178.390 177.584 -0.003 0.000 1.733 253 A CA 0.144 52.181 52.037 0.001 0.000 0.888 253 A CB -0.491 18.509 19.000 -0.000 0.000 1.804 253 A HN 0.579 nan 8.150 nan 0.000 0.626 254 A N -1.189 121.626 122.820 -0.008 0.000 2.265 254 A HA 0.397 4.717 4.320 0.000 0.000 0.213 254 A C 1.092 178.668 177.584 -0.014 0.000 1.255 254 A CA 0.485 52.513 52.037 -0.015 0.000 0.862 254 A CB -0.690 18.299 19.000 -0.019 0.000 0.852 254 A HN 0.559 nan 8.150 nan 0.000 0.484 255 L N -2.154 119.064 121.223 -0.007 0.000 2.920 255 L HA 0.196 4.536 4.340 0.000 0.000 0.257 255 L C 2.065 178.935 176.870 -0.000 0.000 1.150 255 L CA -0.023 54.813 54.840 -0.006 0.000 0.959 255 L CB 0.162 42.218 42.059 -0.005 0.000 1.321 255 L HN 0.209 nan 8.230 nan 0.000 0.555 256 R N -0.390 120.112 120.500 0.004 0.000 2.087 256 R HA 0.070 4.410 4.340 0.000 0.000 0.216 256 R C 1.965 178.277 176.300 0.019 0.000 1.114 256 R CA 1.310 57.417 56.100 0.011 0.000 1.002 256 R CB -0.473 29.836 30.300 0.014 0.000 0.903 256 R HN 0.201 nan 8.270 nan 0.000 0.445 257 V N -0.596 119.329 119.914 0.019 0.000 2.719 257 V HA 0.002 4.122 4.120 0.000 0.000 0.252 257 V C 2.164 178.262 176.094 0.006 0.000 1.065 257 V CA 1.489 63.806 62.300 0.029 0.000 1.086 257 V CB -0.709 31.123 31.823 0.016 0.000 0.700 257 V HN 0.160 nan 8.190 nan 0.000 0.467 258 S N 0.231 115.926 115.700 -0.009 0.000 2.528 258 S HA -0.011 4.459 4.470 0.000 0.000 0.244 258 S C 1.685 176.284 174.600 -0.000 0.000 0.982 258 S CA 1.367 59.556 58.200 -0.018 0.000 0.953 258 S CB -0.197 62.991 63.200 -0.020 0.000 0.754 258 S HN 0.774 nan 8.310 nan 0.000 0.529 259 A N 0.468 123.295 122.820 0.013 0.000 1.993 259 A HA 0.420 4.740 4.320 0.000 0.000 0.202 259 A C 1.010 178.617 177.584 0.038 0.000 1.461 259 A CA 0.462 52.512 52.037 0.022 0.000 0.824 259 A CB -0.332 18.677 19.000 0.015 0.000 1.024 259 A HN 0.600 nan 8.150 nan 0.000 0.507 260 S N 0.576 116.298 115.700 0.037 0.000 2.554 260 S HA 0.520 4.990 4.470 0.000 0.000 0.278 260 S C -2.814 171.836 174.600 0.083 0.000 1.242 260 S CA -1.314 56.910 58.200 0.041 0.000 1.051 260 S CB 0.828 64.039 63.200 0.017 0.000 0.986 260 S HN 0.090 nan 8.310 nan 0.000 0.502 261 P HA 0.185 nan 4.420 nan 0.000 0.232 261 P C 0.434 177.854 177.300 0.199 0.000 1.738 261 P CA -0.297 62.919 63.100 0.194 0.000 0.948 261 P CB -0.861 30.930 31.700 0.152 0.000 1.943 262 F N 1.572 121.529 119.950 0.011 0.000 3.343 262 F HA -0.457 4.070 4.527 0.000 0.000 0.271 262 F C 2.016 177.816 175.800 -0.001 0.000 1.485 262 F CA 2.619 60.618 58.000 -0.001 0.000 1.690 262 F CB -1.566 37.435 39.000 0.000 0.000 0.580 262 F HN 0.453 nan 8.300 nan 0.000 0.420 263 G N -0.057 108.383 108.800 -0.599 0.000 3.099 263 G HA2 -0.488 3.472 3.960 0.000 0.000 0.331 263 G HA3 -0.488 3.472 3.960 0.000 0.000 0.331 263 G C 0.985 175.493 174.900 -0.653 0.000 1.216 263 G CA 0.845 45.643 45.100 -0.502 0.000 0.977 263 G HN 1.201 nan 8.290 nan 0.000 0.600 264 D N 2.230 122.414 120.400 -0.360 0.000 2.310 264 D HA 0.173 4.813 4.640 0.000 0.000 0.212 264 D C 2.527 178.657 176.300 -0.283 0.000 0.965 264 D CA 1.344 55.195 54.000 -0.249 0.000 0.879 264 D CB -0.394 40.340 40.800 -0.109 0.000 0.921 264 D HN 0.662 nan 8.370 nan 0.000 0.510 265 A N 0.184 122.779 122.820 -0.375 0.000 2.248 265 A HA 0.168 4.488 4.320 0.000 0.000 0.210 265 A C 2.015 179.470 177.584 -0.215 0.000 1.174 265 A CA 1.061 52.964 52.037 -0.223 0.000 0.750 265 A CB -0.213 18.745 19.000 -0.070 0.000 0.780 265 A HN 0.280 nan 8.150 nan 0.000 0.478 266 A N -0.236 122.328 122.820 -0.428 0.000 2.147 266 A HA 0.108 4.428 4.320 0.000 0.000 0.211 266 A C 2.021 179.552 177.584 -0.088 0.000 1.160 266 A CA 0.465 52.395 52.037 -0.179 0.000 0.781 266 A CB -0.121 18.738 19.000 -0.235 0.000 0.842 266 A HN 0.525 nan 8.150 nan 0.000 0.475 267 R N -0.855 119.574 120.500 -0.117 0.000 2.246 267 R HA 0.183 4.523 4.340 0.000 0.000 0.199 267 R C 1.935 178.210 176.300 -0.043 0.000 0.984 267 R CA 0.598 56.657 56.100 -0.069 0.000 1.015 267 R CB -0.303 29.953 30.300 -0.073 0.000 0.930 267 R HN 0.440 nan 8.270 nan 0.000 0.475 268 M N 1.078 120.652 119.600 -0.042 0.000 2.195 268 M HA -0.102 4.379 4.480 0.000 0.000 0.260 268 M C -0.151 176.142 176.300 -0.012 0.000 1.066 268 M CA 1.478 56.764 55.300 -0.024 0.000 1.089 268 M CB 0.001 32.590 32.600 -0.018 0.000 1.377 268 M HN 0.166 nan 8.290 nan 0.000 0.411 269 A N -0.445 122.370 122.820 -0.008 0.000 2.611 269 A HA 0.331 4.651 4.320 0.000 0.000 0.302 269 A C -1.087 176.498 177.584 0.001 0.000 0.947 269 A CA -0.848 51.187 52.037 -0.003 0.000 0.697 269 A CB -0.112 18.888 19.000 -0.000 0.000 1.247 269 A HN 0.232 nan 8.150 nan 0.000 0.403 270 L N 2.130 123.354 121.223 0.001 0.000 2.462 270 L HA 0.414 4.754 4.340 0.000 0.000 0.272 270 L C 1.463 178.332 176.870 -0.001 0.000 1.166 270 L CA 1.011 55.852 54.840 0.002 0.000 0.880 270 L CB 0.317 42.380 42.059 0.007 0.000 1.142 270 L HN 1.721 nan 8.230 nan 0.000 0.473 271 G N 3.453 112.251 108.800 -0.003 0.000 2.561 271 G HA2 -0.257 3.703 3.960 0.000 0.000 0.214 271 G HA3 -0.257 3.703 3.960 0.000 0.000 0.214 271 G C -0.421 174.473 174.900 -0.010 0.000 0.124 271 G CA 0.153 45.250 45.100 -0.005 0.000 1.129 271 G HN 0.901 nan 8.290 nan 0.000 0.532 272 D N 0.701 121.091 120.400 -0.016 0.000 2.219 272 D HA 0.340 4.980 4.640 0.000 0.000 0.191 272 D C 0.103 176.388 176.300 -0.026 0.000 1.272 272 D CA -0.303 53.683 54.000 -0.024 0.000 0.873 272 D CB 0.561 41.342 40.800 -0.030 0.000 1.730 272 D HN 0.395 nan 8.370 nan 0.000 0.519 273 T N 1.713 116.253 114.554 -0.024 0.000 2.897 273 T HA 0.634 4.984 4.350 0.000 0.000 0.294 273 T C 0.636 175.325 174.700 -0.017 0.000 1.004 273 T CA -0.412 61.676 62.100 -0.019 0.000 1.106 273 T CB 1.416 70.275 68.868 -0.015 0.000 0.949 273 T HN 0.462 nan 8.240 nan 0.000 0.520 274 A N 2.330 125.145 122.820 -0.008 0.000 2.448 274 A HA 0.598 4.918 4.320 0.000 0.000 0.239 274 A C 1.046 178.644 177.584 0.023 0.000 1.080 274 A CA -0.105 51.938 52.037 0.011 0.000 0.779 274 A CB -0.257 18.747 19.000 0.007 0.000 1.026 274 A HN 0.966 nan 8.150 nan 0.000 0.499 275 G N -0.934 107.908 108.800 0.070 0.000 2.510 275 G HA2 0.548 4.508 3.960 0.000 0.000 0.280 275 G HA3 0.548 4.508 3.960 0.000 0.000 0.280 275 G C 0.241 175.237 174.900 0.160 0.000 1.386 275 G CA -0.016 45.178 45.100 0.156 0.000 1.047 275 G HN 1.562 nan 8.290 nan 0.000 0.527 276 A N -0.404 122.602 122.820 0.311 0.000 2.376 276 A HA 0.419 4.739 4.320 0.000 0.000 0.298 276 A C 0.916 178.359 177.584 -0.236 0.000 1.271 276 A CA -0.457 51.603 52.037 0.039 0.000 0.926 276 A CB 0.072 19.099 19.000 0.045 0.000 1.141 276 A HN 0.643 nan 8.150 nan 0.000 0.539 277 I N 3.389 123.787 120.570 -0.287 0.000 3.564 277 I HA -0.042 4.128 4.170 0.000 0.000 0.294 277 I C 1.107 177.112 176.117 -0.187 0.000 1.289 277 I CA 0.429 61.440 61.300 -0.480 0.000 1.325 277 I CB 0.236 37.977 38.000 -0.433 0.000 1.039 277 I HN 0.480 nan 8.210 nan 0.000 0.474 278 V N -0.075 119.763 119.914 -0.127 0.000 2.323 278 V HA -0.228 3.892 4.120 0.000 0.000 0.244 278 V C 2.375 178.480 176.094 0.019 0.000 1.041 278 V CA 2.043 64.320 62.300 -0.039 0.000 1.025 278 V CB -0.313 31.470 31.823 -0.067 0.000 0.656 278 V HN 0.500 nan 8.190 nan 0.000 0.451 279 S N -0.978 114.690 115.700 -0.054 0.000 2.507 279 S HA -0.111 4.359 4.470 0.000 0.000 0.235 279 S C 1.748 176.363 174.600 0.025 0.000 0.988 279 S CA 0.890 59.087 58.200 -0.006 0.000 0.944 279 S CB -0.430 62.678 63.200 -0.155 0.000 0.762 279 S HN 0.461 nan 8.310 nan 0.000 0.526 280 F N 1.607 121.400 119.950 -0.262 0.000 2.084 280 F HA -0.051 4.476 4.527 0.000 0.000 0.296 280 F C 2.759 178.521 175.800 -0.064 0.000 1.111 280 F CA 1.197 59.086 58.000 -0.186 0.000 1.224 280 F CB -0.874 38.023 39.000 -0.172 0.000 0.991 280 F HN 0.533 nan 8.300 nan 0.000 0.471 281 C N -1.901 117.494 119.300 0.158 0.000 2.611 281 C HA 0.557 5.017 4.460 0.000 0.000 0.282 281 C C 2.687 177.720 174.990 0.072 0.000 1.321 281 C CA 0.028 59.104 59.018 0.096 0.000 1.747 281 C CB -1.196 26.600 27.740 0.093 0.000 2.124 281 C HN 0.317 nan 8.230 nan 0.000 0.531 282 A N 1.146 124.029 122.820 0.105 0.000 2.178 282 A HA 0.341 4.662 4.320 0.000 0.000 0.218 282 A C 2.318 179.890 177.584 -0.019 0.000 1.157 282 A CA 1.723 53.821 52.037 0.101 0.000 0.689 282 A CB -0.682 18.458 19.000 0.232 0.000 0.787 282 A HN 0.886 nan 8.150 nan 0.000 0.465 283 A N -0.696 122.142 122.820 0.031 0.000 1.984 283 A HA 0.442 4.762 4.320 0.000 0.000 0.214 283 A C 2.327 179.874 177.584 -0.062 0.000 1.173 283 A CA 1.242 53.248 52.037 -0.050 0.000 0.673 283 A CB -0.579 18.471 19.000 0.084 0.000 0.830 283 A HN 0.834 nan 8.150 nan 0.000 0.453 284 A N -0.329 122.482 122.820 -0.015 0.000 1.930 284 A HA 0.242 4.562 4.320 0.000 0.000 0.215 284 A C 2.253 179.831 177.584 -0.009 0.000 1.176 284 A CA 1.491 53.532 52.037 0.008 0.000 0.632 284 A CB -1.144 17.874 19.000 0.030 0.000 0.819 284 A HN 0.685 nan 8.150 nan 0.000 0.445 285 G N -1.530 107.260 108.800 -0.018 0.000 2.559 285 G HA2 -0.174 3.786 3.960 0.000 0.000 0.216 285 G HA3 -0.174 3.786 3.960 0.000 0.000 0.216 285 G C 1.430 176.297 174.900 -0.055 0.000 1.126 285 G CA 1.193 46.283 45.100 -0.017 0.000 0.778 285 G HN 0.564 nan 8.290 nan 0.000 0.543 286 C N -0.560 118.672 119.300 -0.113 0.000 2.611 286 C HA 0.430 4.890 4.460 0.000 0.000 0.282 286 C C 2.578 177.477 174.990 -0.152 0.000 1.321 286 C CA -0.074 58.851 59.018 -0.155 0.000 1.747 286 C CB -0.703 26.870 27.740 -0.277 0.000 2.124 286 C HN 0.355 nan 8.230 nan 0.000 0.531 287 L N 0.633 121.780 121.223 -0.127 0.000 2.307 287 L HA 0.191 4.532 4.340 0.000 0.000 0.211 287 L C 2.734 179.381 176.870 -0.372 0.000 1.099 287 L CA 1.305 56.047 54.840 -0.164 0.000 0.816 287 L CB -0.848 41.235 42.059 0.039 0.000 0.952 287 L HN 0.518 nan 8.230 nan 0.000 0.455 288 G N 0.315 109.010 108.800 -0.176 0.000 2.418 288 G HA2 -0.291 3.669 3.960 0.000 0.000 0.217 288 G HA3 -0.291 3.669 3.960 0.000 0.000 0.217 288 G C 1.808 176.582 174.900 -0.209 0.000 1.158 288 G CA 1.029 46.040 45.100 -0.149 0.000 0.771 288 G HN 0.478 nan 8.290 nan 0.000 0.545 289 S N 0.786 116.415 115.700 -0.118 0.000 2.399 289 S HA -0.042 4.428 4.470 0.000 0.000 0.231 289 S C 2.350 176.952 174.600 0.002 0.000 1.022 289 S CA 1.112 59.327 58.200 0.026 0.000 0.983 289 S CB -0.436 62.847 63.200 0.139 0.000 0.803 289 S HN 0.323 nan 8.310 nan 0.000 0.480 290 L N 1.437 122.506 121.223 -0.257 0.000 2.021 290 L HA -0.104 4.236 4.340 0.000 0.000 0.215 290 L C 3.045 179.774 176.870 -0.234 0.000 1.074 290 L CA 1.563 56.220 54.840 -0.304 0.000 0.760 290 L CB -1.551 40.172 42.059 -0.560 0.000 0.889 290 L HN 0.549 nan 8.230 nan 0.000 0.433 291 G N -0.437 108.118 108.800 -0.408 0.000 2.421 291 G HA2 -0.168 3.792 3.960 0.000 0.000 0.216 291 G HA3 -0.168 3.792 3.960 0.000 0.000 0.216 291 G C 1.585 176.493 174.900 0.013 0.000 1.171 291 G CA 0.726 45.792 45.100 -0.056 0.000 0.775 291 G HN 0.491 nan 8.290 nan 0.000 0.543 292 G N -0.192 108.596 108.800 -0.021 0.000 2.418 292 G HA2 -0.211 3.749 3.960 0.000 0.000 0.217 292 G HA3 -0.211 3.749 3.960 0.000 0.000 0.217 292 G C 1.579 176.422 174.900 -0.095 0.000 1.158 292 G CA 0.699 45.761 45.100 -0.064 0.000 0.771 292 G HN 0.488 nan 8.290 nan 0.000 0.545 293 W N 1.459 122.722 121.300 -0.061 0.000 2.519 293 W HA 0.059 4.720 4.660 0.000 0.000 0.266 293 W C 3.032 179.528 176.519 -0.038 0.000 1.253 293 W CA 1.600 58.910 57.345 -0.058 0.000 1.274 293 W CB -0.039 29.360 29.460 -0.101 0.000 1.114 293 W HN 0.253 nan 8.180 nan 0.000 0.596 294 T N -1.735 112.915 114.554 0.160 0.000 2.896 294 T HA -0.155 4.195 4.350 0.000 0.000 0.263 294 T C 1.785 176.550 174.700 0.108 0.000 1.050 294 T CA 0.972 63.142 62.100 0.117 0.000 1.140 294 T CB -0.849 68.062 68.868 0.072 0.000 0.877 294 T HN 0.026 nan 8.240 nan 0.000 0.457 295 L N 1.465 122.731 121.223 0.072 0.000 2.043 295 L HA -0.003 4.337 4.340 0.000 0.000 0.212 295 L C 2.250 179.154 176.870 0.057 0.000 1.075 295 L CA 1.642 56.514 54.840 0.054 0.000 0.752 295 L CB -0.874 41.195 42.059 0.016 0.000 0.891 295 L HN 0.298 nan 8.230 nan 0.000 0.432 296 L N -0.779 120.463 121.223 0.032 0.000 2.056 296 L HA -0.118 4.222 4.340 0.000 0.000 0.207 296 L C 2.692 179.672 176.870 0.183 0.000 1.078 296 L CA 1.099 55.975 54.840 0.059 0.000 0.749 296 L CB -1.202 40.838 42.059 -0.032 0.000 0.901 296 L HN 0.388 nan 8.230 nan 0.000 0.433 297 A N 0.591 123.542 122.820 0.218 0.000 1.972 297 A HA -0.087 4.233 4.320 0.000 0.000 0.219 297 A C 2.378 180.214 177.584 0.419 0.000 1.169 297 A CA 1.684 53.931 52.037 0.350 0.000 0.635 297 A CB -0.976 18.174 19.000 0.249 0.000 0.810 297 A HN 0.448 nan 8.150 nan 0.000 0.446 298 G N -1.623 107.338 108.800 0.267 0.000 2.408 298 G HA2 -0.092 3.868 3.960 0.000 0.000 0.215 298 G HA3 -0.092 3.868 3.960 0.000 0.000 0.215 298 G C 1.612 176.602 174.900 0.151 0.000 1.156 298 G CA 0.675 45.915 45.100 0.234 0.000 0.793 298 G HN 0.409 nan 8.290 nan 0.000 0.535 299 Q N 0.211 120.075 119.800 0.106 0.000 1.993 299 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 299 Q C 2.771 178.769 176.000 -0.002 0.000 0.984 299 Q CA 1.840 57.672 55.803 0.048 0.000 0.837 299 Q CB -1.170 27.583 28.738 0.025 0.000 0.902 299 Q HN 0.464 nan 8.270 nan 0.000 0.423 300 T N 0.709 115.261 114.554 -0.005 0.000 2.699 300 T HA -0.191 4.159 4.350 0.000 0.000 0.268 300 T C 1.807 176.306 174.700 -0.334 0.000 1.036 300 T CA 1.914 63.931 62.100 -0.137 0.000 1.147 300 T CB -0.173 68.679 68.868 -0.027 0.000 0.862 300 T HN 0.356 nan 8.240 nan 0.000 0.446 301 A N 1.443 124.097 122.820 -0.277 0.000 1.865 301 A HA -0.097 4.223 4.320 0.000 0.000 0.217 301 A C 2.316 179.844 177.584 -0.092 0.000 1.191 301 A CA 2.303 54.083 52.037 -0.428 0.000 0.623 301 A CB -0.868 17.914 19.000 -0.363 0.000 0.826 301 A HN 0.677 nan 8.150 nan 0.000 0.444 302 K N -0.386 120.025 120.400 0.018 0.000 1.978 302 K HA -0.163 4.157 4.320 0.000 0.000 0.214 302 K C 2.213 178.819 176.600 0.010 0.000 1.049 302 K CA 1.626 57.954 56.287 0.069 0.000 0.939 302 K CB -0.533 32.010 32.500 0.073 0.000 0.721 302 K HN 0.325 nan 8.250 nan 0.000 0.441 303 A N 1.127 123.923 122.820 -0.039 0.000 1.894 303 A HA -0.308 4.012 4.320 0.000 0.000 0.220 303 A C 2.409 179.969 177.584 -0.041 0.000 1.237 303 A CA 2.977 55.007 52.037 -0.011 0.000 0.660 303 A CB -1.388 17.613 19.000 0.001 0.000 0.835 303 A HN 0.639 nan 8.150 nan 0.000 0.461 304 A N -0.625 121.940 122.820 -0.426 0.000 1.865 304 A HA 0.107 4.427 4.320 0.000 0.000 0.217 304 A C 2.612 180.212 177.584 0.027 0.000 1.191 304 A CA 2.780 54.534 52.037 -0.471 0.000 0.623 304 A CB -1.342 17.179 19.000 -0.799 0.000 0.826 304 A HN 1.421 nan 8.150 nan 0.000 0.444 305 A N 0.096 122.975 122.820 0.098 0.000 1.927 305 A HA -0.293 4.027 4.320 0.000 0.000 0.220 305 A C 1.722 179.384 177.584 0.130 0.000 1.185 305 A CA 2.326 54.469 52.037 0.175 0.000 0.639 305 A CB -0.928 18.196 19.000 0.206 0.000 0.820 305 A HN 0.499 nan 8.150 nan 0.000 0.451 306 D N 0.505 120.968 120.400 0.104 0.000 2.158 306 D HA -0.073 4.567 4.640 0.000 0.000 0.197 306 D C 0.496 176.861 176.300 0.107 0.000 0.995 306 D CA 1.233 55.289 54.000 0.093 0.000 0.846 306 D CB -0.239 40.611 40.800 0.082 0.000 0.941 306 D HN 0.488 nan 8.370 nan 0.000 0.456 307 D N -1.329 119.161 120.400 0.149 0.000 2.478 307 D HA 0.222 4.862 4.640 0.000 0.000 0.269 307 D C 1.539 177.947 176.300 0.179 0.000 1.232 307 D CA -0.179 53.919 54.000 0.163 0.000 1.059 307 D CB 0.287 41.218 40.800 0.219 0.000 1.104 307 D HN 0.052 nan 8.370 nan 0.000 0.566 308 G N -0.467 108.443 108.800 0.183 0.000 2.916 308 G HA2 0.107 4.067 3.960 0.000 0.000 0.205 308 G HA3 0.107 4.067 3.960 0.000 0.000 0.205 308 G C 0.363 175.488 174.900 0.375 0.000 1.163 308 G CA 0.369 45.595 45.100 0.209 0.000 0.821 308 G HN 0.189 nan 8.290 nan 0.000 0.515 309 L N -1.254 120.195 121.223 0.375 0.000 2.346 309 L HA 0.654 4.994 4.340 0.000 0.000 0.274 309 L C -0.245 176.911 176.870 0.477 0.000 1.007 309 L CA -1.222 53.905 54.840 0.478 0.000 0.818 309 L CB 1.637 43.933 42.059 0.395 0.000 1.284 309 L HN 0.114 nan 8.230 nan 0.000 0.424 310 F N 1.683 121.846 119.950 0.355 0.000 2.114 310 F HA -0.179 4.348 4.527 0.000 0.000 0.482 310 F C -2.158 173.730 175.800 0.147 0.000 1.246 310 F CA -1.173 56.921 58.000 0.157 0.000 1.550 310 F CB -0.203 38.712 39.000 -0.142 0.000 2.476 310 F HN 0.332 nan 8.300 nan 0.000 0.725 311 P HA -0.108 nan 4.420 nan 0.000 0.263 311 P C -1.827 175.493 177.300 0.033 0.000 1.162 311 P CA -0.393 62.654 63.100 -0.087 0.000 0.758 311 P CB 0.233 31.856 31.700 -0.128 0.000 0.773 312 P HA -0.141 nan 4.420 nan 0.000 0.220 312 P C 1.189 178.469 177.300 -0.033 0.000 1.148 312 P CA 1.248 64.352 63.100 0.007 0.000 0.803 312 P CB -0.155 31.530 31.700 -0.026 0.000 0.782 313 I N -0.697 119.779 120.570 -0.157 0.000 2.315 313 I HA -0.219 3.951 4.170 0.000 0.000 0.251 313 I C 1.920 177.852 176.117 -0.310 0.000 1.125 313 I CA 1.493 62.616 61.300 -0.294 0.000 1.392 313 I CB -1.538 36.171 38.000 -0.485 0.000 1.065 313 I HN -0.185 nan 8.210 nan 0.000 0.424 314 F N 0.889 120.776 119.950 -0.106 0.000 2.802 314 F HA 0.252 4.779 4.527 0.000 0.000 0.302 314 F C 1.156 176.951 175.800 -0.008 0.000 1.211 314 F CA 0.153 58.122 58.000 -0.050 0.000 1.431 314 F CB -0.560 38.412 39.000 -0.047 0.000 1.114 314 F HN -0.036 nan 8.300 nan 0.000 0.567 315 A N 0.550 123.428 122.820 0.097 0.000 2.409 315 A HA 0.837 5.157 4.320 0.000 0.000 0.300 315 A C -0.160 177.441 177.584 0.028 0.000 1.273 315 A CA -0.482 51.598 52.037 0.073 0.000 0.774 315 A CB 0.609 19.654 19.000 0.075 0.000 1.144 315 A HN 0.251 nan 8.150 nan 0.000 0.472 322 T N 1.035 115.601 114.554 0.021 0.000 3.313 322 T HA 0.343 4.693 4.350 0.000 0.000 0.266 322 T C -1.466 173.251 174.700 0.028 0.000 0.987 322 T CA 0.853 62.966 62.100 0.022 0.000 1.086 322 T CB -0.170 68.710 68.868 0.020 0.000 1.159 322 T HN 0.342 nan 8.240 nan 0.000 0.450 323 P HA 0.585 nan 4.420 nan 0.000 0.333 323 P C -0.776 176.552 177.300 0.046 0.000 1.343 323 P CA -0.372 62.752 63.100 0.041 0.000 0.761 323 P CB -0.098 31.628 31.700 0.043 0.000 1.701 324 V N -1.488 118.462 119.914 0.059 0.000 2.547 324 V HA 0.593 4.714 4.120 0.000 0.000 0.299 324 V C 0.877 177.003 176.094 0.053 0.000 1.040 324 V CA -0.185 62.155 62.300 0.066 0.000 0.913 324 V CB 1.184 33.072 31.823 0.109 0.000 0.992 324 V HN 0.531 nan 8.190 nan 0.000 0.449 325 A N 2.791 125.628 122.820 0.028 0.000 2.169 325 A HA 0.386 4.706 4.320 0.000 0.000 0.210 325 A C 1.959 179.535 177.584 -0.013 0.000 1.168 325 A CA 1.150 53.194 52.037 0.011 0.000 0.813 325 A CB -0.153 18.845 19.000 -0.004 0.000 0.861 325 A HN 1.648 nan 8.150 nan 0.000 0.481 326 G N -0.378 108.402 108.800 -0.034 0.000 2.776 326 G HA2 -0.034 3.926 3.960 0.000 0.000 0.209 326 G HA3 -0.034 3.926 3.960 0.000 0.000 0.209 326 G C 1.270 176.202 174.900 0.055 0.000 1.145 326 G CA 0.549 45.581 45.100 -0.113 0.000 0.791 326 G HN 0.434 nan 8.290 nan 0.000 0.530 327 L N -0.032 121.244 121.223 0.089 0.000 2.261 327 L HA 0.016 4.356 4.340 0.000 0.000 0.216 327 L C 2.594 179.473 176.870 0.015 0.000 1.114 327 L CA 0.585 55.485 54.840 0.099 0.000 0.777 327 L CB -0.016 42.090 42.059 0.078 0.000 0.910 327 L HN 0.257 nan 8.230 nan 0.000 0.440 328 L N -0.832 120.391 121.223 -0.000 0.000 2.109 328 L HA -0.202 4.138 4.340 0.000 0.000 0.207 328 L C 2.360 179.185 176.870 -0.075 0.000 1.086 328 L CA 0.990 55.812 54.840 -0.030 0.000 0.760 328 L CB -0.472 41.632 42.059 0.076 0.000 0.910 328 L HN 0.252 nan 8.230 nan 0.000 0.437 329 I N -0.661 119.887 120.570 -0.037 0.000 2.335 329 I HA -0.237 3.933 4.170 0.000 0.000 0.251 329 I C 2.461 178.513 176.117 -0.107 0.000 1.129 329 I CA 0.872 62.149 61.300 -0.037 0.000 1.402 329 I CB -0.483 37.509 38.000 -0.013 0.000 1.069 329 I HN 0.049 nan 8.210 nan 0.000 0.424 330 V N 1.416 121.280 119.914 -0.083 0.000 2.358 330 V HA -0.177 3.943 4.120 0.000 0.000 0.246 330 V C 2.668 178.515 176.094 -0.412 0.000 1.047 330 V CA 2.198 64.336 62.300 -0.270 0.000 1.035 330 V CB -1.286 30.492 31.823 -0.075 0.000 0.658 330 V HN 0.563 nan 8.190 nan 0.000 0.452 331 G N -0.431 108.085 108.800 -0.473 0.000 2.408 331 G HA2 -0.174 3.786 3.960 0.000 0.000 0.217 331 G HA3 -0.174 3.786 3.960 0.000 0.000 0.217 331 G C 1.659 176.150 174.900 -0.682 0.000 1.150 331 G CA 1.134 45.700 45.100 -0.890 0.000 0.776 331 G HN 0.375 nan 8.290 nan 0.000 0.542 332 V N 0.796 120.528 119.914 -0.304 0.000 2.307 332 V HA -0.086 4.034 4.120 0.000 0.000 0.245 332 V C 2.890 178.920 176.094 -0.107 0.000 1.045 332 V CA 1.317 63.623 62.300 0.009 0.000 1.024 332 V CB -0.358 31.506 31.823 0.067 0.000 0.651 332 V HN 0.331 nan 8.190 nan 0.000 0.449 333 L N -1.196 119.840 121.223 -0.311 0.000 2.056 333 L HA -0.184 4.156 4.340 0.000 0.000 0.207 333 L C 2.503 179.143 176.870 -0.383 0.000 1.078 333 L CA 1.588 56.125 54.840 -0.505 0.000 0.749 333 L CB -0.413 40.940 42.059 -1.177 0.000 0.901 333 L HN 0.307 nan 8.230 nan 0.000 0.433 334 M N -0.652 118.741 119.600 -0.344 0.000 2.446 334 M HA -0.154 4.327 4.480 0.000 0.000 0.263 334 M C 2.096 178.367 176.300 -0.048 0.000 1.066 334 M CA 1.989 57.223 55.300 -0.111 0.000 1.087 334 M CB -0.429 32.074 32.600 -0.161 0.000 1.406 334 M HN 0.486 nan 8.290 nan 0.000 0.459 335 T N -2.451 112.056 114.554 -0.078 0.000 3.046 335 T HA 0.148 4.498 4.350 0.000 0.000 0.242 335 T C 1.615 176.216 174.700 -0.165 0.000 1.018 335 T CA 0.079 62.092 62.100 -0.146 0.000 1.131 335 T CB -0.478 68.356 68.868 -0.056 0.000 0.904 335 T HN 0.278 nan 8.240 nan 0.000 0.459 336 I N 0.216 120.801 120.570 0.024 0.000 2.315 336 I HA -0.120 4.050 4.170 0.000 0.000 0.251 336 I C 2.052 178.331 176.117 0.270 0.000 1.125 336 I CA 1.719 63.113 61.300 0.157 0.000 1.392 336 I CB -0.426 37.711 38.000 0.227 0.000 1.065 336 I HN 0.189 nan 8.210 nan 0.000 0.424 337 F N -0.006 119.958 119.950 0.023 0.000 2.387 337 F HA -0.117 4.410 4.527 0.000 0.000 0.294 337 F C 2.659 178.485 175.800 0.044 0.000 1.093 337 F CA 0.278 58.321 58.000 0.072 0.000 1.420 337 F CB -0.007 39.085 39.000 0.153 0.000 1.086 337 F HN -0.012 nan 8.300 nan 0.000 0.531 338 Q N 0.287 120.179 119.800 0.153 0.000 2.170 338 Q HA -0.182 4.158 4.340 0.000 0.000 0.203 338 Q C 1.695 177.800 176.000 0.175 0.000 0.976 338 Q CA 1.912 57.759 55.803 0.073 0.000 0.858 338 Q CB -0.415 28.291 28.738 -0.053 0.000 0.907 338 Q HN 0.290 nan 8.270 nan 0.000 0.433 339 F N -0.669 119.333 119.950 0.088 0.000 2.219 339 F HA 0.133 4.660 4.527 0.000 0.000 0.294 339 F C 2.093 177.896 175.800 0.005 0.000 1.086 339 F CA 0.770 58.797 58.000 0.045 0.000 1.330 339 F CB -0.764 38.266 39.000 0.050 0.000 1.047 339 F HN -0.090 nan 8.300 nan 0.000 0.495 340 S N -0.336 115.465 115.700 0.168 0.000 2.720 340 S HA -0.033 4.437 4.470 0.000 0.000 0.222 340 S C 1.557 176.149 174.600 -0.014 0.000 0.958 340 S CA 0.800 59.010 58.200 0.017 0.000 0.943 340 S CB -0.588 62.543 63.200 -0.116 0.000 0.779 340 S HN 0.403 nan 8.310 nan 0.000 0.526 341 S N -1.125 114.602 115.700 0.045 0.000 2.733 341 S HA 0.354 4.824 4.470 0.000 0.000 0.247 341 S C 1.038 175.660 174.600 0.036 0.000 1.043 341 S CA -0.410 57.804 58.200 0.023 0.000 1.066 341 S CB 0.185 63.407 63.200 0.037 0.000 1.045 341 S HN 0.190 nan 8.310 nan 0.000 0.586 342 M N 1.223 120.864 119.600 0.067 0.000 3.103 342 M HA 0.393 4.873 4.480 0.000 0.000 0.208 342 M C 1.975 178.289 176.300 0.023 0.000 1.849 342 M CA 0.801 56.134 55.300 0.054 0.000 1.378 342 M CB -1.313 31.348 32.600 0.101 0.000 1.142 342 M HN 0.258 nan 8.290 nan 0.000 0.600 343 S N 1.716 117.427 115.700 0.019 0.000 2.349 343 S HA 0.007 4.477 4.470 0.000 0.000 0.216 343 S C -1.738 172.847 174.600 -0.025 0.000 1.033 343 S CA 0.827 59.012 58.200 -0.026 0.000 1.021 343 S CB -1.850 61.301 63.200 -0.081 0.000 0.968 343 S HN 0.381 nan 8.310 nan 0.000 0.426 344 P HA 0.281 nan 4.420 nan 0.000 0.276 344 P C -1.257 176.029 177.300 -0.022 0.000 1.253 344 P CA -0.062 63.023 63.100 -0.024 0.000 0.766 344 P CB 0.156 31.843 31.700 -0.023 0.000 0.845 345 N N 2.471 121.156 118.700 -0.024 0.000 2.406 345 N HA 0.405 5.145 4.740 0.000 0.000 0.251 345 N C 0.681 176.174 175.510 -0.028 0.000 1.069 345 N CA -0.143 52.892 53.050 -0.024 0.000 0.947 345 N CB 0.585 39.059 38.487 -0.022 0.000 1.111 345 N HN 0.476 nan 8.380 nan 0.000 0.497 346 A N 0.891 123.691 122.820 -0.033 0.000 2.726 346 A HA 0.380 4.700 4.320 0.000 0.000 0.192 346 A C 1.244 178.803 177.584 -0.042 0.000 1.412 346 A CA 0.323 52.340 52.037 -0.033 0.000 1.073 346 A CB -0.352 18.631 19.000 -0.029 0.000 1.331 346 A HN 0.500 nan 8.150 nan 0.000 0.537 347 A N 0.311 123.097 122.820 -0.056 0.000 2.072 347 A HA 0.399 4.719 4.320 0.000 0.000 0.216 347 A C 1.823 179.379 177.584 -0.046 0.000 1.156 347 A CA 1.777 53.781 52.037 -0.055 0.000 0.701 347 A CB -0.432 18.523 19.000 -0.074 0.000 0.816 347 A HN 0.840 nan 8.150 nan 0.000 0.458 348 K N -0.278 120.095 120.400 -0.045 0.000 2.500 348 K HA 0.482 4.802 4.320 0.000 0.000 0.206 348 K C 1.321 177.881 176.600 -0.068 0.000 1.034 348 K CA 1.118 57.374 56.287 -0.052 0.000 1.179 348 K CB -1.423 31.051 32.500 -0.042 0.000 0.884 348 K HN 0.697 nan 8.250 nan 0.000 0.493 349 E N -0.809 119.344 120.200 -0.079 0.000 2.153 349 E HA -0.010 4.340 4.350 0.000 0.000 0.194 349 E C 1.993 178.516 176.600 -0.129 0.000 0.988 349 E CA 1.407 57.741 56.400 -0.110 0.000 0.811 349 E CB -1.232 28.395 29.700 -0.122 0.000 0.746 349 E HN 1.162 nan 8.360 nan 0.000 0.466 350 F N 0.944 120.823 119.950 -0.119 0.000 2.805 350 F HA 0.494 5.022 4.527 0.000 0.000 0.301 350 F C 2.283 178.029 175.800 -0.089 0.000 1.196 350 F CA 1.100 59.024 58.000 -0.128 0.000 1.439 350 F CB -0.655 38.249 39.000 -0.161 0.000 1.117 350 F HN 0.432 nan 8.300 nan 0.000 0.581 351 G N -1.230 107.518 108.800 -0.086 0.000 2.747 351 G HA2 0.178 4.138 3.960 0.000 0.000 0.202 351 G HA3 0.178 4.138 3.960 0.000 0.000 0.202 351 G C 1.549 176.391 174.900 -0.097 0.000 1.090 351 G CA 0.848 45.901 45.100 -0.077 0.000 0.779 351 G HN 0.456 nan 8.290 nan 0.000 0.535 352 L N 1.479 122.638 121.223 -0.106 0.000 2.046 352 L HA 0.014 4.354 4.340 0.000 0.000 0.208 352 L C 2.671 179.451 176.870 -0.150 0.000 1.077 352 L CA 1.580 56.349 54.840 -0.119 0.000 0.747 352 L CB -0.613 41.374 42.059 -0.119 0.000 0.896 352 L HN 0.030 nan 8.230 nan 0.000 0.432 353 V N -0.561 119.259 119.914 -0.157 0.000 2.439 353 V HA -0.344 3.776 4.120 0.000 0.000 0.253 353 V C 2.850 178.838 176.094 -0.176 0.000 1.074 353 V CA 1.931 64.138 62.300 -0.155 0.000 1.076 353 V CB -0.947 30.826 31.823 -0.082 0.000 0.664 353 V HN 0.719 nan 8.190 nan 0.000 0.461 354 S N 0.328 115.936 115.700 -0.153 0.000 2.382 354 S HA -0.185 4.285 4.470 0.000 0.000 0.228 354 S C 2.205 176.666 174.600 -0.232 0.000 1.027 354 S CA 2.068 60.159 58.200 -0.181 0.000 0.991 354 S CB -0.276 62.841 63.200 -0.138 0.000 0.823 354 S HN 0.845 nan 8.310 nan 0.000 0.469 355 S N 0.175 115.743 115.700 -0.220 0.000 2.470 355 S HA 0.094 4.564 4.470 0.000 0.000 0.225 355 S C 1.649 176.064 174.600 -0.308 0.000 1.006 355 S CA 0.722 58.769 58.200 -0.254 0.000 0.934 355 S CB -0.356 62.715 63.200 -0.216 0.000 0.778 355 S HN 0.329 nan 8.310 nan 0.000 0.517 356 V N 3.110 122.843 119.914 -0.301 0.000 3.078 356 V HA -0.047 4.073 4.120 0.000 0.000 0.265 356 V C 2.683 178.359 176.094 -0.696 0.000 1.122 356 V CA 1.583 63.663 62.300 -0.368 0.000 1.141 356 V CB -0.772 30.898 31.823 -0.255 0.000 0.735 356 V HN 0.820 nan 8.190 nan 0.000 0.498 357 S N -0.306 115.015 115.700 -0.632 0.000 2.517 357 S HA -0.024 4.446 4.470 0.000 0.000 0.214 357 S C 1.778 176.124 174.600 -0.424 0.000 0.991 357 S CA 0.755 58.468 58.200 -0.813 0.000 0.906 357 S CB 0.221 63.147 63.200 -0.455 0.000 0.789 357 S HN 0.460 nan 8.310 nan 0.000 0.513 358 V N 0.518 120.257 119.914 -0.292 0.000 2.626 358 V HA 0.054 4.175 4.120 0.000 0.000 0.252 358 V C 2.218 178.459 176.094 0.244 0.000 1.067 358 V CA 1.062 63.340 62.300 -0.036 0.000 1.081 358 V CB -1.221 30.545 31.823 -0.094 0.000 0.686 358 V HN 0.498 nan 8.190 nan 0.000 0.468 359 I N -0.406 120.196 120.570 0.052 0.000 2.315 359 I HA -0.165 4.005 4.170 0.000 0.000 0.248 359 I C 2.577 178.890 176.117 0.326 0.000 1.117 359 I CA 1.830 63.302 61.300 0.287 0.000 1.404 359 I CB -0.529 37.534 38.000 0.106 0.000 1.071 359 I HN 0.218 nan 8.210 nan 0.000 0.419 360 F N 1.304 121.333 119.950 0.133 0.000 2.120 360 F HA -0.283 4.244 4.527 0.000 0.000 0.300 360 F C 2.739 178.630 175.800 0.151 0.000 1.095 360 F CA 1.324 59.377 58.000 0.089 0.000 1.249 360 F CB -0.865 38.142 39.000 0.011 0.000 0.995 360 F HN 0.098 nan 8.300 nan 0.000 0.480 361 T N 0.853 115.652 114.554 0.407 0.000 2.822 361 T HA -0.199 4.151 4.350 0.000 0.000 0.270 361 T C 1.909 176.938 174.700 0.549 0.000 1.064 361 T CA 0.998 63.373 62.100 0.460 0.000 1.131 361 T CB -0.401 68.746 68.868 0.464 0.000 0.858 361 T HN 0.262 nan 8.240 nan 0.000 0.483 362 L N 0.379 121.849 121.223 0.411 0.000 2.179 362 L HA -0.018 4.322 4.340 0.000 0.000 0.208 362 L C 2.653 179.650 176.870 0.212 0.000 1.096 362 L CA 0.553 55.591 54.840 0.330 0.000 0.779 362 L CB -0.624 41.507 42.059 0.121 0.000 0.922 362 L HN 0.152 nan 8.230 nan 0.000 0.443 363 V N 0.772 120.747 119.914 0.102 0.000 2.282 363 V HA -0.224 3.896 4.120 0.000 0.000 0.249 363 V C -0.095 175.826 176.094 -0.288 0.000 1.057 363 V CA 2.291 64.486 62.300 -0.174 0.000 1.032 363 V CB -1.509 30.203 31.823 -0.185 0.000 0.645 363 V HN 0.324 nan 8.190 nan 0.000 0.447 364 P HA -0.169 nan 4.420 nan 0.000 0.214 364 P C 1.455 178.778 177.300 0.038 0.000 1.163 364 P CA 1.607 64.702 63.100 -0.009 0.000 0.883 364 P CB -0.184 31.510 31.700 -0.010 0.000 0.788 365 Y N -0.910 119.465 120.300 0.126 0.000 2.102 365 Y HA -0.225 4.325 4.550 0.000 0.000 0.280 365 Y C 2.387 178.272 175.900 -0.025 0.000 1.178 365 Y CA 1.220 59.406 58.100 0.144 0.000 1.146 365 Y CB -1.497 37.040 38.460 0.128 0.000 0.968 365 Y HN -0.126 nan 8.280 nan 0.000 0.504 366 L N -1.186 120.086 121.223 0.082 0.000 2.012 366 L HA -0.277 4.063 4.340 0.000 0.000 0.210 366 L C 2.034 178.953 176.870 0.081 0.000 1.073 366 L CA 1.865 56.695 54.840 -0.017 0.000 0.748 366 L CB -0.939 41.086 42.059 -0.056 0.000 0.891 366 L HN 0.174 nan 8.230 nan 0.000 0.431 367 Y N -0.160 120.179 120.300 0.066 0.000 2.242 367 Y HA -0.147 4.403 4.550 0.000 0.000 0.291 367 Y C 2.895 178.839 175.900 0.073 0.000 1.137 367 Y CA 1.353 59.539 58.100 0.144 0.000 1.181 367 Y CB -1.733 36.809 38.460 0.136 0.000 0.989 367 Y HN 0.452 nan 8.280 nan 0.000 0.527 368 T N -3.414 111.195 114.554 0.092 0.000 3.072 368 T HA -0.122 4.228 4.350 0.000 0.000 0.266 368 T C 1.987 176.543 174.700 -0.241 0.000 1.127 368 T CA 1.173 63.200 62.100 -0.122 0.000 1.107 368 T CB -0.982 67.647 68.868 -0.399 0.000 0.910 368 T HN 0.305 nan 8.240 nan 0.000 0.513 369 C N 1.459 120.624 119.300 -0.225 0.000 2.518 369 C HA 0.418 4.878 4.460 0.000 0.000 0.279 369 C C 3.414 178.359 174.990 -0.075 0.000 1.279 369 C CA 0.341 59.158 59.018 -0.334 0.000 1.703 369 C CB -1.396 25.812 27.740 -0.887 0.000 2.072 369 C HN 0.734 nan 8.230 nan 0.000 0.487 370 A N 0.796 123.702 122.820 0.144 0.000 1.948 370 A HA -0.063 4.257 4.320 0.000 0.000 0.220 370 A C 2.295 179.920 177.584 0.068 0.000 1.177 370 A CA 2.348 54.599 52.037 0.357 0.000 0.636 370 A CB -0.927 18.455 19.000 0.637 0.000 0.815 370 A HN 0.611 nan 8.150 nan 0.000 0.449 371 A N -0.322 122.477 122.820 -0.034 0.000 1.841 371 A HA -0.142 4.178 4.320 0.000 0.000 0.216 371 A C 2.186 179.644 177.584 -0.210 0.000 1.199 371 A CA 1.627 53.550 52.037 -0.189 0.000 0.621 371 A CB -0.884 18.016 19.000 -0.166 0.000 0.835 371 A HN 0.719 nan 8.150 nan 0.000 0.445 372 L N -0.599 120.504 121.223 -0.200 0.000 2.263 372 L HA -0.169 4.171 4.340 0.000 0.000 0.216 372 L C 2.219 179.076 176.870 -0.020 0.000 1.111 372 L CA 1.047 55.777 54.840 -0.182 0.000 0.773 372 L CB -0.119 41.836 42.059 -0.173 0.000 0.906 372 L HN 0.448 nan 8.230 nan 0.000 0.439 373 L N -1.494 119.761 121.223 0.053 0.000 2.102 373 L HA -0.126 4.214 4.340 0.000 0.000 0.202 373 L C 2.248 179.112 176.870 -0.009 0.000 1.076 373 L CA 0.830 55.764 54.840 0.156 0.000 0.761 373 L CB -0.324 41.871 42.059 0.226 0.000 0.921 373 L HN 0.256 nan 8.230 nan 0.000 0.444 374 L N -0.952 120.194 121.223 -0.128 0.000 2.179 374 L HA -0.124 4.216 4.340 0.000 0.000 0.208 374 L C 2.398 178.997 176.870 -0.453 0.000 1.096 374 L CA 0.319 54.998 54.840 -0.267 0.000 0.779 374 L CB -0.220 41.662 42.059 -0.296 0.000 0.922 374 L HN 0.241 nan 8.230 nan 0.000 0.443 375 L N -0.068 120.914 121.223 -0.402 0.000 2.013 375 L HA 0.059 4.399 4.340 0.000 0.000 0.204 375 L C 1.833 178.424 176.870 -0.465 0.000 1.081 375 L CA 1.822 56.408 54.840 -0.423 0.000 0.751 375 L CB -1.408 40.427 42.059 -0.373 0.000 0.901 375 L HN 0.230 nan 8.230 nan 0.000 0.440 376 G N -1.068 107.456 108.800 -0.461 0.000 3.949 376 G HA2 0.033 3.993 3.960 0.000 0.000 0.295 376 G HA3 0.033 3.993 3.960 0.000 0.000 0.295 376 G C 0.915 175.412 174.900 -0.672 0.000 1.286 376 G CA -0.141 44.661 45.100 -0.496 0.000 1.171 376 G HN 0.577 nan 8.290 nan 0.000 0.586 377 H N -1.125 117.648 119.070 -0.496 0.000 2.489 377 H HA -0.008 4.548 4.556 0.000 0.000 0.293 377 H C 1.978 177.094 175.328 -0.352 0.000 1.066 377 H CA 0.772 56.572 56.048 -0.414 0.000 1.305 377 H CB -0.592 29.129 29.762 -0.067 0.000 1.386 377 H HN 0.227 nan 8.280 nan 0.000 0.551 378 G N -0.358 108.490 108.800 0.080 0.000 2.608 378 G HA2 -0.113 3.847 3.960 0.000 0.000 0.210 378 G HA3 -0.113 3.847 3.960 0.000 0.000 0.210 378 G C 0.688 175.512 174.900 -0.128 0.000 1.139 378 G CA -0.089 44.949 45.100 -0.102 0.000 0.812 378 G HN 0.492 nan 8.290 nan 0.000 0.529 379 H N -0.143 118.766 119.070 -0.268 0.000 2.562 379 H HA 0.264 4.820 4.556 0.000 0.000 0.272 379 H C 1.196 176.508 175.328 -0.026 0.000 1.019 379 H CA -0.153 55.795 56.048 -0.167 0.000 1.160 379 H CB -0.332 29.312 29.762 -0.197 0.000 1.334 379 H HN 0.401 nan 8.280 nan 0.000 0.611 380 F N 0.407 120.453 119.950 0.160 0.000 2.153 380 F HA 0.227 4.754 4.527 0.000 0.000 0.276 380 F C 1.542 177.417 175.800 0.126 0.000 1.340 380 F CA -0.034 58.083 58.000 0.195 0.000 1.094 380 F CB -0.534 38.586 39.000 0.200 0.000 0.964 380 F HN 0.247 nan 8.300 nan 0.000 0.522 381 G N 0.554 109.550 108.800 0.326 0.000 2.345 381 G HA2 -0.036 3.924 3.960 0.000 0.000 0.205 381 G HA3 -0.036 3.924 3.960 0.000 0.000 0.205 381 G C -0.316 174.649 174.900 0.109 0.000 0.534 381 G CA 0.598 45.787 45.100 0.148 0.000 0.968 381 G HN 0.793 nan 8.290 nan 0.000 0.330 382 K N -0.028 120.408 120.400 0.059 0.000 2.706 382 K HA 0.814 5.134 4.320 0.000 0.000 0.203 382 K C 1.184 177.761 176.600 -0.037 0.000 1.102 382 K CA 1.077 57.384 56.287 0.034 0.000 1.058 382 K CB 0.594 33.100 32.500 0.010 0.000 0.779 382 K HN 2.085 nan 8.250 nan 0.000 0.483 383 A N 0.800 123.561 122.820 -0.098 0.000 2.346 383 A HA 0.144 4.464 4.320 0.000 0.000 0.242 383 A C 1.825 179.215 177.584 -0.323 0.000 1.323 383 A CA 0.398 52.271 52.037 -0.273 0.000 0.940 383 A CB -0.750 17.954 19.000 -0.494 0.000 0.943 383 A HN 0.564 nan 8.150 nan 0.000 0.501 384 R N 0.586 120.995 120.500 -0.151 0.000 2.096 384 R HA -0.145 4.195 4.340 0.000 0.000 0.240 384 R C -1.024 175.137 176.300 -0.233 0.000 1.139 384 R CA 2.243 58.210 56.100 -0.222 0.000 0.952 384 R CB -1.008 29.317 30.300 0.043 0.000 0.854 384 R HN 0.377 nan 8.270 nan 0.000 0.436 385 P HA -0.157 nan 4.420 nan 0.000 0.216 385 P C 1.383 178.595 177.300 -0.146 0.000 1.150 385 P CA 1.074 64.102 63.100 -0.119 0.000 0.837 385 P CB -0.117 31.526 31.700 -0.094 0.000 0.786 386 L N -2.307 118.791 121.223 -0.208 0.000 2.027 386 L HA -0.185 4.156 4.340 0.000 0.000 0.206 386 L C 2.277 179.028 176.870 -0.199 0.000 1.074 386 L CA 1.742 56.445 54.840 -0.228 0.000 0.745 386 L CB -0.723 41.139 42.059 -0.329 0.000 0.898 386 L HN -0.105 nan 8.230 nan 0.000 0.433 387 Y N -0.345 119.790 120.300 -0.275 0.000 2.200 387 Y HA -0.240 4.310 4.550 0.000 0.000 0.290 387 Y C 2.330 178.081 175.900 -0.248 0.000 1.137 387 Y CA 1.411 59.307 58.100 -0.340 0.000 1.163 387 Y CB -0.780 37.228 38.460 -0.754 0.000 0.988 387 Y HN 0.208 nan 8.280 nan 0.000 0.518 388 L N -0.492 120.661 121.223 -0.115 0.000 2.127 388 L HA -0.179 4.161 4.340 0.000 0.000 0.211 388 L C 2.175 179.088 176.870 0.073 0.000 1.089 388 L CA 1.338 56.174 54.840 -0.006 0.000 0.757 388 L CB -0.840 41.199 42.059 -0.033 0.000 0.899 388 L HN 0.259 nan 8.230 nan 0.000 0.434 389 L N -0.722 120.516 121.223 0.026 0.000 2.007 389 L HA -0.119 4.221 4.340 0.000 0.000 0.205 389 L C 2.345 179.319 176.870 0.173 0.000 1.073 389 L CA 1.759 56.638 54.840 0.065 0.000 0.744 389 L CB -0.575 41.480 42.059 -0.006 0.000 0.898 389 L HN 0.229 nan 8.230 nan 0.000 0.435 390 I N 0.023 120.661 120.570 0.114 0.000 2.113 390 I HA -0.407 3.763 4.170 0.000 0.000 0.242 390 I C 2.511 178.715 176.117 0.146 0.000 1.064 390 I CA 2.232 63.603 61.300 0.117 0.000 1.320 390 I CB -1.024 37.041 38.000 0.109 0.000 1.028 390 I HN 0.559 nan 8.210 nan 0.000 0.406 391 T N -0.810 113.844 114.554 0.166 0.000 2.778 391 T HA -0.285 4.065 4.350 0.000 0.000 0.269 391 T C 1.757 176.682 174.700 0.374 0.000 1.050 391 T CA 1.462 63.669 62.100 0.178 0.000 1.137 391 T CB -0.980 68.014 68.868 0.210 0.000 0.860 391 T HN 0.404 nan 8.240 nan 0.000 0.468 392 F N 1.877 121.989 119.950 0.270 0.000 2.146 392 F HA 0.018 4.545 4.527 0.000 0.000 0.298 392 F C 2.284 178.217 175.800 0.221 0.000 1.096 392 F CA 0.828 58.997 58.000 0.282 0.000 1.275 392 F CB -0.484 38.579 39.000 0.106 0.000 1.008 392 F HN -0.015 nan 8.300 nan 0.000 0.480 393 V N 0.987 121.032 119.914 0.219 0.000 2.219 393 V HA -0.381 3.739 4.120 0.000 0.000 0.248 393 V C 2.802 178.907 176.094 0.018 0.000 1.053 393 V CA 2.216 64.563 62.300 0.078 0.000 1.009 393 V CB -1.589 30.303 31.823 0.116 0.000 0.636 393 V HN 0.502 nan 8.190 nan 0.000 0.445 394 A N -1.214 121.612 122.820 0.010 0.000 1.986 394 A HA -0.260 4.060 4.320 0.000 0.000 0.220 394 A C 2.068 179.639 177.584 -0.021 0.000 1.171 394 A CA 2.121 54.122 52.037 -0.061 0.000 0.640 394 A CB -0.801 18.121 19.000 -0.130 0.000 0.811 394 A HN 0.514 nan 8.150 nan 0.000 0.451 395 F N -1.021 118.883 119.950 -0.075 0.000 2.046 395 F HA -0.205 4.322 4.527 0.000 0.000 0.297 395 F C 2.542 178.258 175.800 -0.139 0.000 1.123 395 F CA 1.957 59.893 58.000 -0.107 0.000 1.199 395 F CB -0.405 38.477 39.000 -0.197 0.000 0.972 395 F HN 0.123 nan 8.300 nan 0.000 0.474 396 V N -0.544 119.322 119.914 -0.080 0.000 2.343 396 V HA -0.345 3.775 4.120 0.000 0.000 0.247 396 V C 2.067 178.160 176.094 -0.001 0.000 1.051 396 V CA 2.057 64.258 62.300 -0.165 0.000 1.036 396 V CB -0.676 30.912 31.823 -0.390 0.000 0.654 396 V HN 0.528 nan 8.190 nan 0.000 0.451 397 Y N 0.393 120.659 120.300 -0.058 0.000 2.132 397 Y HA -0.377 4.173 4.550 0.000 0.000 0.280 397 Y C 2.525 178.422 175.900 -0.006 0.000 1.193 397 Y CA 2.650 60.765 58.100 0.024 0.000 1.157 397 Y CB -0.644 37.799 38.460 -0.027 0.000 0.966 397 Y HN 0.422 nan 8.280 nan 0.000 0.511 398 C N 0.284 119.709 119.300 0.209 0.000 2.466 398 C HA -0.086 4.374 4.460 0.000 0.000 0.278 398 C C 2.595 177.601 174.990 0.026 0.000 1.288 398 C CA 0.913 59.965 59.018 0.057 0.000 1.722 398 C CB -1.251 26.536 27.740 0.080 0.000 2.017 398 C HN 0.629 nan 8.230 nan 0.000 0.488 399 I N -0.759 119.855 120.570 0.075 0.000 2.700 399 I HA -0.187 3.983 4.170 0.000 0.000 0.261 399 I C 2.434 178.638 176.117 0.146 0.000 1.219 399 I CA 1.152 62.503 61.300 0.084 0.000 1.463 399 I CB -0.318 37.706 38.000 0.040 0.000 1.092 399 I HN 0.486 nan 8.210 nan 0.000 0.452 400 W N 1.396 122.640 121.300 -0.093 0.000 2.539 400 W HA 0.136 4.796 4.660 0.000 0.000 0.299 400 W C 2.707 179.157 176.519 -0.115 0.000 1.165 400 W CA 0.904 58.185 57.345 -0.106 0.000 1.400 400 W CB -0.740 28.629 29.460 -0.151 0.000 1.123 400 W HN 0.044 nan 8.180 nan 0.000 0.533 401 A N -0.012 122.772 122.820 -0.059 0.000 1.986 401 A HA -0.198 4.122 4.320 0.000 0.000 0.220 401 A C 2.070 179.762 177.584 0.180 0.000 1.171 401 A CA 2.404 54.311 52.037 -0.216 0.000 0.640 401 A CB -0.993 17.496 19.000 -0.851 0.000 0.811 401 A HN 0.086 nan 8.150 nan 0.000 0.451 402 V N -0.008 119.999 119.914 0.156 0.000 2.379 402 V HA -0.222 3.899 4.120 0.000 0.000 0.245 402 V C 2.386 178.607 176.094 0.211 0.000 1.044 402 V CA 1.842 64.298 62.300 0.261 0.000 1.036 402 V CB -0.581 31.354 31.823 0.185 0.000 0.664 402 V HN 0.591 nan 8.190 nan 0.000 0.453 403 I N 0.978 121.657 120.570 0.182 0.000 2.286 403 I HA -0.131 4.039 4.170 0.000 0.000 0.248 403 I C 2.111 178.288 176.117 0.100 0.000 1.115 403 I CA 1.644 63.035 61.300 0.152 0.000 1.392 403 I CB -0.690 37.443 38.000 0.222 0.000 1.065 403 I HN 0.431 nan 8.210 nan 0.000 0.418 404 G N 0.634 109.483 108.800 0.082 0.000 3.374 404 G HA2 0.163 4.124 3.960 0.000 0.000 0.252 404 G HA3 0.163 4.124 3.960 0.000 0.000 0.252 404 G C 0.151 175.096 174.900 0.074 0.000 1.326 404 G CA 0.005 45.118 45.100 0.021 0.000 1.133 404 G HN 0.213 nan 8.290 nan 0.000 0.528 405 S N -1.506 114.240 115.700 0.077 0.000 2.677 405 S HA 0.690 5.160 4.470 0.000 0.000 0.304 405 S C 0.467 175.044 174.600 -0.038 0.000 1.108 405 S CA -0.412 57.782 58.200 -0.011 0.000 0.944 405 S CB 1.733 64.951 63.200 0.031 0.000 1.127 405 S HN 0.350 nan 8.310 nan 0.000 0.511 406 G N 0.478 109.225 108.800 -0.087 0.000 2.343 406 G HA2 0.419 4.379 3.960 0.000 0.000 0.254 406 G HA3 0.419 4.379 3.960 0.000 0.000 0.254 406 G C 0.995 175.877 174.900 -0.030 0.000 1.277 406 G CA 0.035 45.098 45.100 -0.061 0.000 0.909 406 G HN 0.839 nan 8.290 nan 0.000 0.502 407 A N 3.126 125.932 122.820 -0.024 0.000 1.948 407 A HA -0.128 4.192 4.320 0.000 0.000 0.220 407 A C 2.325 179.889 177.584 -0.033 0.000 1.177 407 A CA 1.934 53.955 52.037 -0.027 0.000 0.636 407 A CB -0.221 18.758 19.000 -0.035 0.000 0.815 407 A HN 0.731 nan 8.150 nan 0.000 0.449 408 K N 0.007 120.399 120.400 -0.013 0.000 2.025 408 K HA -0.151 4.170 4.320 0.000 0.000 0.207 408 K C 1.870 178.525 176.600 0.092 0.000 1.049 408 K CA 1.574 57.876 56.287 0.025 0.000 0.933 408 K CB -0.315 32.224 32.500 0.065 0.000 0.714 408 K HN 0.642 nan 8.250 nan 0.000 0.438 409 E N 1.086 121.319 120.200 0.054 0.000 2.038 409 E HA -0.174 4.176 4.350 0.000 0.000 0.195 409 E C 2.195 178.834 176.600 0.065 0.000 1.000 409 E CA 1.420 57.845 56.400 0.042 0.000 0.803 409 E CB -0.281 29.372 29.700 -0.078 0.000 0.750 409 E HN 0.012 nan 8.360 nan 0.000 0.448 410 V N 1.968 121.907 119.914 0.041 0.000 2.343 410 V HA -0.274 3.846 4.120 0.000 0.000 0.247 410 V C 2.366 178.522 176.094 0.104 0.000 1.051 410 V CA 1.616 63.967 62.300 0.085 0.000 1.036 410 V CB -0.434 31.437 31.823 0.079 0.000 0.654 410 V HN 0.414 nan 8.190 nan 0.000 0.451 411 M N -1.155 118.445 119.600 -0.001 0.000 2.143 411 M HA -0.272 4.208 4.480 0.000 0.000 0.258 411 M C 1.969 178.203 176.300 -0.111 0.000 1.071 411 M CA 2.317 57.535 55.300 -0.137 0.000 1.088 411 M CB -0.572 31.842 32.600 -0.310 0.000 1.360 411 M HN 0.503 nan 8.290 nan 0.000 0.404 412 W N -0.355 121.008 121.300 0.104 0.000 2.494 412 W HA -0.014 4.647 4.660 0.000 0.000 0.286 412 W C 2.646 179.291 176.519 0.209 0.000 1.218 412 W CA 0.725 58.150 57.345 0.132 0.000 1.313 412 W CB -0.639 28.861 29.460 0.065 0.000 1.105 412 W HN 0.177 nan 8.180 nan 0.000 0.561 413 S N 0.350 116.288 115.700 0.397 0.000 2.380 413 S HA -0.279 4.191 4.470 0.000 0.000 0.229 413 S C 1.593 176.456 174.600 0.438 0.000 1.043 413 S CA 1.774 60.252 58.200 0.462 0.000 1.038 413 S CB -0.601 62.778 63.200 0.299 0.000 0.872 413 S HN 0.287 nan 8.310 nan 0.000 0.456 414 F N 1.725 121.794 119.950 0.198 0.000 2.113 414 F HA -0.081 4.446 4.527 0.000 0.000 0.297 414 F C 2.107 177.992 175.800 0.141 0.000 1.103 414 F CA 1.144 59.223 58.000 0.132 0.000 1.248 414 F CB -0.455 38.579 39.000 0.056 0.000 0.999 414 F HN -0.022 nan 8.300 nan 0.000 0.475 415 V N -0.204 119.959 119.914 0.415 0.000 2.469 415 V HA -0.323 3.797 4.120 0.000 0.000 0.251 415 V C 2.256 178.515 176.094 0.275 0.000 1.064 415 V CA 2.250 64.753 62.300 0.338 0.000 1.066 415 V CB -1.308 30.742 31.823 0.378 0.000 0.667 415 V HN 0.427 nan 8.190 nan 0.000 0.461 416 T N 0.807 115.547 114.554 0.310 0.000 2.652 416 T HA -0.184 4.166 4.350 0.000 0.000 0.267 416 T C 1.874 176.604 174.700 0.050 0.000 1.039 416 T CA 1.831 64.058 62.100 0.212 0.000 1.153 416 T CB -0.351 68.680 68.868 0.273 0.000 0.863 416 T HN 0.349 nan 8.240 nan 0.000 0.428 417 L N 0.561 121.767 121.223 -0.029 0.000 2.042 417 L HA -0.131 4.209 4.340 0.000 0.000 0.210 417 L C 2.844 179.685 176.870 -0.049 0.000 1.076 417 L CA 1.076 55.850 54.840 -0.109 0.000 0.749 417 L CB -0.764 41.168 42.059 -0.212 0.000 0.893 417 L HN 0.285 nan 8.230 nan 0.000 0.432 418 M N -0.582 118.983 119.600 -0.059 0.000 2.089 418 M HA -0.232 4.248 4.480 0.000 0.000 0.257 418 M C 2.386 178.746 176.300 0.100 0.000 1.071 418 M CA 1.724 57.041 55.300 0.027 0.000 1.096 418 M CB -1.110 31.544 32.600 0.090 0.000 1.330 418 M HN 0.152 nan 8.290 nan 0.000 0.403 419 V N 0.468 120.453 119.914 0.120 0.000 2.453 419 V HA -0.212 3.908 4.120 0.000 0.000 0.247 419 V C 2.528 178.722 176.094 0.167 0.000 1.048 419 V CA 1.069 63.458 62.300 0.148 0.000 1.049 419 V CB -0.439 31.480 31.823 0.160 0.000 0.672 419 V HN 0.287 nan 8.190 nan 0.000 0.457 420 I N 1.089 121.736 120.570 0.128 0.000 2.127 420 I HA -0.236 3.934 4.170 0.000 0.000 0.241 420 I C 2.897 179.220 176.117 0.342 0.000 1.075 420 I CA 2.537 63.931 61.300 0.157 0.000 1.334 420 I CB -1.922 36.054 38.000 -0.040 0.000 1.040 420 I HN 0.546 nan 8.210 nan 0.000 0.405 421 T N 0.058 114.813 114.554 0.336 0.000 2.788 421 T HA -0.107 4.243 4.350 0.000 0.000 0.268 421 T C 2.032 176.945 174.700 0.356 0.000 1.044 421 T CA 1.490 63.904 62.100 0.524 0.000 1.139 421 T CB -0.448 68.688 68.868 0.446 0.000 0.867 421 T HN 0.293 nan 8.240 nan 0.000 0.454 422 A N 1.173 124.141 122.820 0.246 0.000 1.933 422 A HA 0.153 4.473 4.320 0.000 0.000 0.218 422 A C 2.330 180.045 177.584 0.218 0.000 1.175 422 A CA 1.452 53.603 52.037 0.189 0.000 0.628 422 A CB -0.922 18.170 19.000 0.154 0.000 0.814 422 A HN 0.476 nan 8.150 nan 0.000 0.444 423 L N -1.796 119.595 121.223 0.281 0.000 1.976 423 L HA -0.134 4.206 4.340 0.000 0.000 0.209 423 L C 2.347 179.413 176.870 0.327 0.000 1.071 423 L CA 2.320 57.345 54.840 0.307 0.000 0.746 423 L CB -1.047 41.239 42.059 0.379 0.000 0.890 423 L HN 0.553 nan 8.230 nan 0.000 0.432 424 Y N -0.033 120.436 120.300 0.283 0.000 2.114 424 Y HA -0.327 4.223 4.550 0.000 0.000 0.282 424 Y C 2.324 178.279 175.900 0.092 0.000 1.165 424 Y CA 2.081 60.219 58.100 0.063 0.000 1.148 424 Y CB -0.401 38.138 38.460 0.132 0.000 0.972 424 Y HN 0.240 nan 8.280 nan 0.000 0.504 425 A N -0.429 122.532 122.820 0.235 0.000 2.070 425 A HA -0.096 4.224 4.320 0.000 0.000 0.220 425 A C 2.146 179.737 177.584 0.013 0.000 1.159 425 A CA 1.651 53.728 52.037 0.067 0.000 0.656 425 A CB -0.809 18.226 19.000 0.058 0.000 0.800 425 A HN 0.585 nan 8.150 nan 0.000 0.453 426 L N -1.303 119.953 121.223 0.055 0.000 2.221 426 L HA -0.006 4.334 4.340 0.000 0.000 0.202 426 L C 2.194 179.071 176.870 0.011 0.000 1.074 426 L CA 0.567 55.430 54.840 0.038 0.000 0.795 426 L CB -0.367 41.734 42.059 0.070 0.000 0.960 426 L HN 0.260 nan 8.230 nan 0.000 0.458 427 N N -0.066 118.656 118.700 0.036 0.000 2.124 427 N HA -0.121 4.619 4.740 0.000 0.000 0.189 427 N C 1.340 176.774 175.510 -0.126 0.000 1.050 427 N CA 1.337 54.382 53.050 -0.008 0.000 0.848 427 N CB -0.505 38.043 38.487 0.102 0.000 1.027 427 N HN 0.218 nan 8.380 nan 0.000 0.435 428 Y N 1.936 122.000 120.300 -0.394 0.000 2.506 428 Y HA 0.063 4.613 4.550 0.000 0.000 0.335 428 Y C 1.796 177.511 175.900 -0.307 0.000 1.218 428 Y CA -0.450 57.384 58.100 -0.443 0.000 1.260 428 Y CB -0.606 37.329 38.460 -0.874 0.000 1.085 428 Y HN 0.195 nan 8.280 nan 0.000 0.495 429 N N 1.729 120.366 118.700 -0.104 0.000 2.139 429 N HA -0.281 4.459 4.740 0.000 0.000 0.199 429 N C 1.211 176.706 175.510 -0.024 0.000 1.003 429 N CA 1.876 54.885 53.050 -0.068 0.000 0.892 429 N CB 0.008 38.465 38.487 -0.050 0.000 1.039 429 N HN 0.442 nan 8.380 nan 0.000 0.461 430 R N -0.918 119.568 120.500 -0.024 0.000 2.531 430 R HA 0.331 4.671 4.340 0.000 0.000 0.316 430 R C 1.524 177.833 176.300 0.014 0.000 0.955 430 R CA -0.219 55.883 56.100 0.004 0.000 1.120 430 R CB 0.595 30.887 30.300 -0.014 0.000 1.361 430 R HN 0.227 nan 8.270 nan 0.000 0.534 431 I N 0.025 120.598 120.570 0.005 0.000 3.251 431 I HA -0.045 4.125 4.170 0.000 0.000 0.277 431 I C 0.589 176.769 176.117 0.105 0.000 1.268 431 I CA 0.280 61.595 61.300 0.024 0.000 1.449 431 I CB -0.165 37.817 38.000 -0.030 0.000 1.083 431 I HN 0.135 nan 8.210 nan 0.000 0.464 432 H N 2.841 121.934 119.070 0.038 0.000 2.848 432 H HA 0.114 4.670 4.556 0.000 0.000 0.317 432 H C 0.242 175.613 175.328 0.071 0.000 1.046 432 H CA 0.120 56.222 56.048 0.089 0.000 1.470 432 H CB 0.500 30.312 29.762 0.082 0.000 1.483 432 H HN -0.063 nan 8.280 nan 0.000 0.548 433 K N 4.865 125.098 120.400 -0.279 0.000 2.250 433 K HA 0.060 4.380 4.320 0.000 0.000 0.280 433 K C -0.506 175.963 176.600 -0.217 0.000 1.098 433 K CA -0.390 55.793 56.287 -0.173 0.000 0.916 433 K CB 0.034 32.455 32.500 -0.131 0.000 1.209 433 K HN 0.666 nan 8.250 nan 0.000 0.461 434 N N 6.349 125.066 118.700 0.028 0.000 2.609 434 N HA 0.232 4.972 4.740 0.000 0.000 0.234 434 N C -2.629 172.936 175.510 0.091 0.000 1.001 434 N CA -1.527 51.641 53.050 0.196 0.000 0.926 434 N CB 1.174 39.868 38.487 0.345 0.000 1.130 434 N HN 0.339 nan 8.380 nan 0.000 0.510 435 P HA 0.244 nan 4.420 nan 0.000 0.296 435 P C -1.339 176.043 177.300 0.136 0.000 1.306 435 P CA -0.244 62.811 63.100 -0.075 0.000 0.818 435 P CB 0.694 32.227 31.700 -0.277 0.000 0.969 436 Y N 3.183 123.508 120.300 0.042 0.000 2.341 436 Y HA 0.332 4.882 4.550 0.000 0.000 0.340 436 Y C -1.395 174.526 175.900 0.035 0.000 0.997 436 Y CA -2.491 55.629 58.100 0.033 0.000 1.149 436 Y CB 0.267 38.741 38.460 0.024 0.000 1.171 436 Y HN 0.305 nan 8.280 nan 0.000 0.494 437 P HA -0.031 nan 4.420 nan 0.000 0.271 437 P C 0.004 177.362 177.300 0.095 0.000 1.233 437 P CA -0.040 63.121 63.100 0.103 0.000 0.795 437 P CB 0.865 32.606 31.700 0.069 0.000 0.936 438 L N 0.487 121.751 121.223 0.068 0.000 2.867 438 L HA 0.132 4.472 4.340 0.000 0.000 0.158 438 L C 1.039 177.935 176.870 0.043 0.000 1.387 438 L CA 0.415 55.285 54.840 0.051 0.000 1.696 438 L CB -0.129 41.953 42.059 0.038 0.000 2.480 438 L HN 0.253 nan 8.230 nan 0.000 0.522 439 D N -0.595 119.823 120.400 0.031 0.000 2.503 439 D HA 0.420 5.061 4.640 0.000 0.000 0.218 439 D C -0.390 175.922 176.300 0.021 0.000 1.183 439 D CA 0.571 54.587 54.000 0.026 0.000 0.827 439 D CB 0.736 41.548 40.800 0.021 0.000 1.034 439 D HN 0.584 nan 8.370 nan 0.000 0.510 440 A N 0.998 123.830 122.820 0.021 0.000 2.435 440 A HA -0.084 4.236 4.320 0.000 0.000 0.686 440 A C -1.859 175.733 177.584 0.014 0.000 0.138 440 A CA -0.670 51.377 52.037 0.017 0.000 0.025 440 A CB -1.741 17.268 19.000 0.016 0.000 3.974 440 A HN 0.156 nan 8.150 nan 0.000 0.548 441 P HA 0.000 nan 4.420 nan 0.000 0.216 441 P CA 0.000 63.106 63.100 0.010 0.000 0.800 441 P CB 0.000 31.705 31.700 0.008 0.000 0.726