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 1ryw_1_D DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVQGPT RLQGEVTISG AKNAALPILF AALLAEEPVE IQNVPKLKDI DATA SEQUENCE DTTMKLLTQL GTKVERDGSV WIDASNVNNF SAPYDLVKTM RASIWALGPL DATA SEQUENCE VARFGQGQVS LPGGSAIGAR PVDLHIFGLE KLGAEIKLEE GYVKASVNGR DATA SEQUENCE LKGAHIVMDK VSVGATVTIM SAATLAEGTT IIENAAREPE IVDTANFLVA DATA SEQUENCE LGAKISGQGT DRITIEGVER LGGGVYRVLP DRIETGTFLV AAAISGGKIV DATA SEQUENCE CRNAQPDTLD AVLAKLREAG ADIETGEDWI SLDMHGKRPK AVTVRTAPHP DATA SEQUENCE AFPTDMQAQF TLLNLVAEGT GVITETIFEN RFMHVPELIR MGAHAEIESN DATA SEQUENCE TVICHGVEKL SGAQVMATDL RASASLVLAG CIAEGTTVVD RIYHIDRGYE DATA SEQUENCE RIEDKLRALG ANIERVKGE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.322 176.300 0.037 0.000 1.140 1 M CA 0.000 55.311 55.300 0.018 0.000 0.988 1 M CB 0.000 32.618 32.600 0.030 0.000 1.302 2 D N 3.850 124.274 120.400 0.040 0.000 2.419 2 D HA 0.411 5.051 4.640 -0.000 0.000 0.236 2 D C -0.368 175.949 176.300 0.028 0.000 1.165 2 D CA 0.821 54.847 54.000 0.044 0.000 0.882 2 D CB 0.748 41.572 40.800 0.041 0.000 1.201 2 D HN 0.510 nan 8.370 nan 0.000 0.443 3 K N 0.538 120.974 120.400 0.061 0.000 2.495 3 K HA 0.485 4.804 4.320 -0.000 0.000 0.268 3 K C -0.923 175.823 176.600 0.244 0.000 1.008 3 K CA -0.788 55.539 56.287 0.066 0.000 0.882 3 K CB 1.983 34.529 32.500 0.077 0.000 1.443 3 K HN 0.302 nan 8.250 nan 0.000 0.447 4 F N 1.286 121.242 119.950 0.010 0.000 2.467 4 F HA 0.395 4.922 4.527 -0.000 0.000 0.336 4 F C 0.183 175.983 175.800 0.000 0.000 1.123 4 F CA -1.020 56.981 58.000 0.002 0.000 0.964 4 F CB 1.918 40.912 39.000 -0.010 0.000 1.136 4 F HN 0.229 nan 8.300 nan 0.000 0.447 5 R N 4.420 125.003 120.500 0.139 0.000 2.215 5 R HA 0.575 4.915 4.340 -0.000 0.000 0.336 5 R C -1.766 174.536 176.300 0.004 0.000 0.996 5 R CA -0.343 55.793 56.100 0.061 0.000 0.847 5 R CB 1.146 31.468 30.300 0.038 0.000 1.127 5 R HN 0.480 nan 8.270 nan 0.000 0.465 6 V N 4.171 124.093 119.914 0.012 0.000 2.667 6 V HA 0.374 4.494 4.120 -0.000 0.000 0.308 6 V C -0.417 175.670 176.094 -0.012 0.000 1.048 6 V CA -0.909 61.380 62.300 -0.018 0.000 0.928 6 V CB 1.916 33.735 31.823 -0.007 0.000 1.004 6 V HN 0.703 nan 8.190 nan 0.000 0.444 7 Q N 2.423 122.210 119.800 -0.022 0.000 2.325 7 Q HA 0.653 4.993 4.340 -0.000 0.000 0.270 7 Q C -0.038 175.952 176.000 -0.016 0.000 1.020 7 Q CA -0.196 55.598 55.803 -0.016 0.000 0.785 7 Q CB 2.524 31.252 28.738 -0.017 0.000 1.259 7 Q HN 0.985 nan 8.270 nan 0.000 0.452 8 G N 2.490 111.283 108.800 -0.012 0.000 2.818 8 G HA2 0.747 4.707 3.960 -0.000 0.000 0.286 8 G HA3 0.747 4.707 3.960 -0.000 0.000 0.286 8 G C -2.839 172.055 174.900 -0.010 0.000 1.364 8 G CA -1.317 43.776 45.100 -0.012 0.000 0.938 8 G HN 0.289 nan 8.290 nan 0.000 0.490 9 P HA 0.344 nan 4.420 nan 0.000 0.288 9 P C -0.730 176.564 177.300 -0.010 0.000 1.267 9 P CA -0.113 62.981 63.100 -0.011 0.000 0.815 9 P CB 1.572 33.266 31.700 -0.010 0.000 0.989 10 T N -0.178 114.369 114.554 -0.011 0.000 2.928 10 T HA 0.420 4.770 4.350 -0.000 0.000 0.296 10 T C -0.183 174.512 174.700 -0.008 0.000 1.000 10 T CA -1.027 61.067 62.100 -0.010 0.000 0.989 10 T CB 1.468 70.329 68.868 -0.013 0.000 1.005 10 T HN 0.408 nan 8.240 nan 0.000 0.442 11 R N 2.967 123.464 120.500 -0.006 0.000 2.491 11 R HA 0.463 4.803 4.340 -0.000 0.000 0.283 11 R C -0.714 175.586 176.300 -0.001 0.000 1.072 11 R CA -0.551 55.546 56.100 -0.004 0.000 1.048 11 R CB 0.277 30.575 30.300 -0.004 0.000 0.983 11 R HN 0.710 nan 8.270 nan 0.000 0.450 12 L N 5.953 127.179 121.223 0.005 0.000 2.265 12 L HA 0.331 4.671 4.340 -0.000 0.000 0.289 12 L C -0.283 176.597 176.870 0.015 0.000 1.033 12 L CA -0.382 54.468 54.840 0.018 0.000 0.814 12 L CB 1.248 43.330 42.059 0.037 0.000 1.203 12 L HN 0.747 nan 8.230 nan 0.000 0.423 13 Q N 2.972 122.777 119.800 0.008 0.000 2.391 13 Q HA 0.830 5.170 4.340 -0.000 0.000 0.279 13 Q C -0.448 175.546 176.000 -0.011 0.000 1.028 13 Q CA -0.521 55.281 55.803 -0.002 0.000 0.836 13 Q CB 3.158 31.890 28.738 -0.011 0.000 1.414 13 Q HN 0.676 nan 8.270 nan 0.000 0.397 14 G N 1.250 110.038 108.800 -0.019 0.000 2.233 14 G HA2 0.020 3.980 3.960 -0.000 0.000 0.162 14 G HA3 0.020 3.980 3.960 -0.000 0.000 0.162 14 G C -1.499 173.375 174.900 -0.044 0.000 1.327 14 G CA -0.395 44.684 45.100 -0.034 0.000 1.187 14 G HN 0.665 nan 8.290 nan 0.000 0.479 15 E N -1.611 118.550 120.200 -0.065 0.000 2.416 15 E HA 0.663 5.013 4.350 -0.000 0.000 0.273 15 E C -1.559 174.957 176.600 -0.140 0.000 0.935 15 E CA -0.775 55.575 56.400 -0.083 0.000 0.784 15 E CB 3.251 32.906 29.700 -0.076 0.000 1.301 15 E HN 0.913 nan 8.360 nan 0.000 0.454 16 V N 0.790 120.600 119.914 -0.173 0.000 2.969 16 V HA 0.417 4.537 4.120 -0.000 0.000 0.304 16 V C -1.547 174.438 176.094 -0.182 0.000 1.192 16 V CA -0.271 61.856 62.300 -0.288 0.000 0.962 16 V CB 2.489 33.915 31.823 -0.661 0.000 1.045 16 V HN 0.714 nan 8.190 nan 0.000 0.428 17 T N 7.473 121.937 114.554 -0.151 0.000 2.756 17 T HA 0.517 4.867 4.350 -0.000 0.000 0.290 17 T C -0.134 174.534 174.700 -0.054 0.000 0.985 17 T CA -0.276 61.781 62.100 -0.071 0.000 0.955 17 T CB 0.548 69.388 68.868 -0.047 0.000 0.930 17 T HN 0.474 nan 8.240 nan 0.000 0.451 18 I N 3.252 123.814 120.570 -0.013 0.000 2.710 18 I HA 0.094 4.264 4.170 -0.000 0.000 0.286 18 I C 1.180 177.310 176.117 0.022 0.000 1.181 18 I CA 0.206 61.523 61.300 0.030 0.000 1.430 18 I CB 0.055 38.088 38.000 0.055 0.000 1.367 18 I HN 0.561 nan 8.210 nan 0.000 0.577 19 S N 4.060 119.781 115.700 0.036 0.000 2.681 19 S HA 0.528 4.998 4.470 -0.000 0.000 0.270 19 S C 0.628 175.228 174.600 0.000 0.000 1.209 19 S CA -0.600 57.610 58.200 0.017 0.000 0.988 19 S CB 1.261 64.479 63.200 0.029 0.000 1.006 19 S HN 0.852 nan 8.310 nan 0.000 0.558 20 G N 0.133 108.924 108.800 -0.016 0.000 2.544 20 G HA2 0.445 4.405 3.960 -0.000 0.000 0.242 20 G HA3 0.445 4.405 3.960 -0.000 0.000 0.242 20 G C -0.050 174.834 174.900 -0.027 0.000 1.247 20 G CA -0.391 44.692 45.100 -0.028 0.000 0.840 20 G HN 0.905 nan 8.290 nan 0.000 0.578 21 A N 1.440 124.243 122.820 -0.028 0.000 2.522 21 A HA 0.237 4.557 4.320 -0.000 0.000 0.256 21 A C 1.661 179.230 177.584 -0.026 0.000 1.086 21 A CA 0.327 52.346 52.037 -0.030 0.000 0.763 21 A CB 0.229 19.214 19.000 -0.026 0.000 1.024 21 A HN 0.924 nan 8.150 nan 0.000 0.502 22 K N 2.557 122.937 120.400 -0.034 0.000 2.044 22 K HA -0.197 4.123 4.320 -0.000 0.000 0.210 22 K C 0.551 177.172 176.600 0.035 0.000 1.049 22 K CA 2.053 58.333 56.287 -0.012 0.000 0.927 22 K CB -0.131 32.345 32.500 -0.041 0.000 0.713 22 K HN 0.711 nan 8.250 nan 0.000 0.443 23 N N -0.014 118.708 118.700 0.037 0.000 2.515 23 N HA 0.014 4.754 4.740 -0.000 0.000 0.191 23 N C 0.559 176.097 175.510 0.047 0.000 1.182 23 N CA 0.739 53.845 53.050 0.093 0.000 0.879 23 N CB 0.746 39.291 38.487 0.095 0.000 0.984 23 N HN 0.373 nan 8.380 nan 0.000 0.453 24 A N -0.192 122.627 122.820 -0.002 0.000 1.997 24 A HA 0.456 4.776 4.320 -0.000 0.000 0.198 24 A C 2.101 179.635 177.584 -0.084 0.000 1.449 24 A CA 0.662 52.670 52.037 -0.049 0.000 0.908 24 A CB -0.426 18.558 19.000 -0.026 0.000 0.984 24 A HN 0.171 nan 8.150 nan 0.000 0.487 25 A N 0.419 123.206 122.820 -0.055 0.000 1.902 25 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 25 A C 2.120 179.666 177.584 -0.063 0.000 1.181 25 A CA 1.551 53.537 52.037 -0.084 0.000 0.623 25 A CB -0.712 18.254 19.000 -0.056 0.000 0.818 25 A HN 0.444 nan 8.150 nan 0.000 0.443 26 L N -0.080 121.174 121.223 0.051 0.000 1.976 26 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 26 L C -0.194 176.802 176.870 0.209 0.000 1.071 26 L CA 1.876 56.852 54.840 0.226 0.000 0.746 26 L CB -1.423 40.903 42.059 0.445 0.000 0.890 26 L HN 0.311 nan 8.230 nan 0.000 0.432 27 P HA -0.161 nan 4.420 nan 0.000 0.221 27 P C 1.808 178.934 177.300 -0.291 0.000 1.150 27 P CA 1.566 64.308 63.100 -0.597 0.000 0.800 27 P CB 0.071 31.151 31.700 -1.033 0.000 0.787 28 I N -0.530 119.860 120.570 -0.301 0.000 2.252 28 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 28 I C 2.630 178.479 176.117 -0.447 0.000 1.102 28 I CA 1.056 62.044 61.300 -0.520 0.000 1.385 28 I CB -0.585 36.980 38.000 -0.724 0.000 1.064 28 I HN -0.160 nan 8.210 nan 0.000 0.414 29 L N -0.356 120.693 121.223 -0.289 0.000 2.079 29 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 29 L C 2.414 179.152 176.870 -0.221 0.000 1.081 29 L CA 1.613 56.295 54.840 -0.264 0.000 0.752 29 L CB -0.535 41.353 42.059 -0.285 0.000 0.896 29 L HN 0.158 nan 8.230 nan 0.000 0.433 30 F N -0.539 119.396 119.950 -0.025 0.000 2.234 30 F HA -0.059 4.468 4.527 -0.000 0.000 0.296 30 F C 2.565 178.401 175.800 0.060 0.000 1.089 30 F CA 0.850 58.885 58.000 0.058 0.000 1.343 30 F CB -0.505 38.571 39.000 0.126 0.000 1.040 30 F HN -0.029 nan 8.300 nan 0.000 0.498 31 A N 0.172 123.102 122.820 0.182 0.000 2.019 31 A HA -0.102 4.218 4.320 -0.000 0.000 0.219 31 A C 2.347 180.104 177.584 0.290 0.000 1.164 31 A CA 1.485 53.649 52.037 0.212 0.000 0.644 31 A CB -1.159 17.995 19.000 0.255 0.000 0.805 31 A HN 0.299 nan 8.150 nan 0.000 0.449 32 A N -0.280 122.702 122.820 0.271 0.000 2.076 32 A HA -0.036 4.284 4.320 -0.000 0.000 0.220 32 A C 1.959 179.654 177.584 0.185 0.000 1.160 32 A CA 1.283 53.484 52.037 0.272 0.000 0.653 32 A CB -0.580 18.517 19.000 0.161 0.000 0.801 32 A HN 0.500 nan 8.150 nan 0.000 0.455 33 L N -0.795 120.538 121.223 0.185 0.000 2.353 33 L HA -0.142 4.198 4.340 -0.000 0.000 0.220 33 L C 2.007 178.999 176.870 0.204 0.000 1.133 33 L CA 0.606 55.579 54.840 0.221 0.000 0.798 33 L CB -0.305 41.921 42.059 0.279 0.000 0.922 33 L HN 0.424 nan 8.230 nan 0.000 0.445 34 L N -0.734 120.569 121.223 0.133 0.000 2.375 34 L HA 0.125 4.465 4.340 -0.000 0.000 0.215 34 L C 1.382 178.258 176.870 0.009 0.000 1.108 34 L CA -0.326 54.539 54.840 0.041 0.000 0.830 34 L CB -0.346 41.720 42.059 0.012 0.000 0.959 34 L HN 0.098 nan 8.230 nan 0.000 0.457 35 A N 0.557 123.405 122.820 0.047 0.000 2.454 35 A HA 0.107 4.427 4.320 -0.000 0.000 0.260 35 A C 0.941 178.552 177.584 0.044 0.000 1.106 35 A CA -0.171 51.881 52.037 0.024 0.000 0.780 35 A CB 0.150 19.179 19.000 0.048 0.000 1.044 35 A HN 0.328 nan 8.150 nan 0.000 0.498 36 E N 0.962 121.172 120.200 0.017 0.000 2.474 36 E HA 0.025 4.375 4.350 -0.000 0.000 0.194 36 E C -0.301 176.325 176.600 0.042 0.000 1.041 36 E CA 0.307 56.727 56.400 0.032 0.000 0.874 36 E CB 0.397 30.100 29.700 0.005 0.000 0.914 36 E HN 0.663 nan 8.360 nan 0.000 0.498 37 E N 0.674 120.896 120.200 0.038 0.000 2.312 37 E HA 0.342 4.692 4.350 -0.000 0.000 0.267 37 E C -2.622 174.017 176.600 0.065 0.000 0.894 37 E CA -2.889 53.538 56.400 0.045 0.000 0.773 37 E CB 1.188 30.905 29.700 0.029 0.000 1.241 37 E HN -0.193 nan 8.360 nan 0.000 0.432 38 P HA -0.067 nan 4.420 nan 0.000 0.264 38 P C -0.686 176.688 177.300 0.123 0.000 1.173 38 P CA 0.396 63.562 63.100 0.110 0.000 0.761 38 P CB 0.431 32.198 31.700 0.113 0.000 0.794 39 V N 2.818 122.822 119.914 0.151 0.000 2.735 39 V HA 0.399 4.519 4.120 -0.000 0.000 0.310 39 V C -0.108 176.064 176.094 0.131 0.000 1.061 39 V CA -0.492 61.902 62.300 0.156 0.000 0.913 39 V CB 2.153 34.097 31.823 0.202 0.000 1.005 39 V HN 0.486 nan 8.190 nan 0.000 0.428 40 E N 3.574 123.816 120.200 0.070 0.000 2.218 40 E HA 0.568 4.918 4.350 -0.000 0.000 0.263 40 E C -1.612 174.898 176.600 -0.149 0.000 0.879 40 E CA -0.563 55.736 56.400 -0.168 0.000 0.762 40 E CB 1.595 31.191 29.700 -0.173 0.000 1.166 40 E HN 0.640 nan 8.360 nan 0.000 0.415 41 I N 4.284 124.698 120.570 -0.260 0.000 2.339 41 I HA 0.207 4.377 4.170 -0.000 0.000 0.290 41 I C 0.119 176.073 176.117 -0.272 0.000 0.994 41 I CA -0.535 60.654 61.300 -0.186 0.000 1.191 41 I CB 1.542 39.417 38.000 -0.208 0.000 1.343 41 I HN 0.416 nan 8.210 nan 0.000 0.458 42 Q N 3.848 123.530 119.800 -0.197 0.000 2.193 42 Q HA 0.332 4.672 4.340 -0.000 0.000 0.246 42 Q C 0.267 176.176 176.000 -0.151 0.000 0.959 42 Q CA -0.792 54.889 55.803 -0.204 0.000 0.904 42 Q CB 0.881 29.520 28.738 -0.165 0.000 1.238 42 Q HN 0.576 nan 8.270 nan 0.000 0.469 43 N N -0.542 118.081 118.700 -0.129 0.000 2.735 43 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 43 N C -1.720 173.742 175.510 -0.081 0.000 1.083 43 N CA 0.254 53.251 53.050 -0.089 0.000 0.703 43 N CB -0.899 37.538 38.487 -0.083 0.000 1.005 43 N HN 0.324 nan 8.380 nan 0.000 0.550 44 V N 1.822 121.679 119.914 -0.096 0.000 2.406 44 V HA 0.407 4.527 4.120 -0.000 0.000 0.272 44 V C -1.359 174.707 176.094 -0.047 0.000 1.043 44 V CA -1.066 61.186 62.300 -0.080 0.000 0.915 44 V CB 1.257 33.016 31.823 -0.106 0.000 0.988 44 V HN 0.213 nan 8.190 nan 0.000 0.466 45 P HA 0.183 nan 4.420 nan 0.000 0.272 45 P C -0.844 176.459 177.300 0.004 0.000 1.230 45 P CA -0.538 62.558 63.100 -0.007 0.000 0.788 45 P CB 0.931 32.628 31.700 -0.005 0.000 0.949 46 K N 2.242 122.655 120.400 0.022 0.000 2.244 46 K HA 0.421 4.741 4.320 -0.000 0.000 0.263 46 K C -0.250 176.376 176.600 0.043 0.000 1.103 46 K CA -0.212 56.094 56.287 0.032 0.000 0.966 46 K CB -0.013 32.511 32.500 0.040 0.000 1.429 46 K HN 0.421 nan 8.250 nan 0.000 0.434 47 L N 1.306 122.550 121.223 0.036 0.000 2.333 47 L HA 0.351 4.691 4.340 -0.000 0.000 0.263 47 L C 1.350 178.247 176.870 0.044 0.000 1.014 47 L CA -1.072 53.795 54.840 0.045 0.000 0.820 47 L CB 1.431 43.510 42.059 0.033 0.000 1.352 47 L HN 0.297 nan 8.230 nan 0.000 0.421 48 K N 0.812 121.244 120.400 0.053 0.000 2.074 48 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 48 K C 1.059 177.686 176.600 0.045 0.000 1.048 48 K CA 1.822 58.138 56.287 0.049 0.000 0.926 48 K CB 0.071 32.607 32.500 0.060 0.000 0.713 48 K HN 0.616 nan 8.250 nan 0.000 0.444 49 D N 0.434 120.865 120.400 0.053 0.000 2.219 49 D HA -0.109 4.531 4.640 -0.000 0.000 0.205 49 D C 1.857 178.194 176.300 0.062 0.000 0.970 49 D CA 0.480 54.520 54.000 0.066 0.000 0.851 49 D CB 0.080 40.928 40.800 0.080 0.000 0.943 49 D HN 0.161 nan 8.370 nan 0.000 0.488 50 I N 1.478 122.072 120.570 0.040 0.000 2.353 50 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 50 I C 1.728 177.847 176.117 0.005 0.000 1.119 50 I CA 1.029 62.338 61.300 0.014 0.000 1.417 50 I CB -0.770 37.233 38.000 0.004 0.000 1.078 50 I HN -0.069 nan 8.210 nan 0.000 0.421 51 D N 0.734 121.144 120.400 0.017 0.000 2.097 51 D HA -0.130 4.510 4.640 -0.000 0.000 0.195 51 D C 2.119 178.426 176.300 0.012 0.000 0.989 51 D CA 1.674 55.682 54.000 0.013 0.000 0.827 51 D CB -0.342 40.470 40.800 0.019 0.000 0.966 51 D HN 0.250 nan 8.370 nan 0.000 0.456 52 T N 0.480 115.048 114.554 0.023 0.000 2.788 52 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 52 T C 2.011 176.732 174.700 0.036 0.000 1.044 52 T CA 1.517 63.636 62.100 0.031 0.000 1.139 52 T CB -0.410 68.484 68.868 0.044 0.000 0.867 52 T HN 0.144 nan 8.240 nan 0.000 0.454 53 T N 1.967 116.534 114.554 0.022 0.000 2.777 53 T HA 0.067 4.417 4.350 -0.000 0.000 0.266 53 T C 2.030 176.662 174.700 -0.114 0.000 1.040 53 T CA 0.956 63.020 62.100 -0.061 0.000 1.141 53 T CB -0.309 68.476 68.868 -0.138 0.000 0.868 53 T HN 0.321 nan 8.240 nan 0.000 0.444 54 M N 0.554 120.113 119.600 -0.068 0.000 2.213 54 M HA -0.071 4.409 4.480 -0.000 0.000 0.263 54 M C 2.252 178.536 176.300 -0.028 0.000 1.062 54 M CA 1.513 56.783 55.300 -0.051 0.000 1.105 54 M CB -0.271 32.317 32.600 -0.020 0.000 1.385 54 M HN 0.155 nan 8.290 nan 0.000 0.417 55 K N 0.456 120.850 120.400 -0.011 0.000 2.001 55 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 55 K C 1.961 178.565 176.600 0.006 0.000 1.048 55 K CA 1.208 57.496 56.287 0.001 0.000 0.932 55 K CB -0.433 32.073 32.500 0.010 0.000 0.715 55 K HN 0.304 nan 8.250 nan 0.000 0.437 56 L N 1.533 122.768 121.223 0.019 0.000 2.012 56 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 56 L C 2.203 179.088 176.870 0.026 0.000 1.073 56 L CA 1.319 56.189 54.840 0.050 0.000 0.748 56 L CB -0.207 41.924 42.059 0.121 0.000 0.891 56 L HN 0.198 nan 8.230 nan 0.000 0.431 57 L N -0.882 120.326 121.223 -0.026 0.000 2.012 57 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 57 L C 2.539 179.401 176.870 -0.014 0.000 1.073 57 L CA 1.981 56.802 54.840 -0.032 0.000 0.748 57 L CB -1.080 40.929 42.059 -0.083 0.000 0.891 57 L HN 0.291 nan 8.230 nan 0.000 0.431 58 T N -0.957 113.588 114.554 -0.015 0.000 2.665 58 T HA -0.316 4.034 4.350 -0.000 0.000 0.268 58 T C 1.826 176.513 174.700 -0.021 0.000 1.035 58 T CA 1.720 63.812 62.100 -0.012 0.000 1.151 58 T CB -0.272 68.592 68.868 -0.007 0.000 0.862 58 T HN 0.391 nan 8.240 nan 0.000 0.438 59 Q N 0.492 120.282 119.800 -0.016 0.000 2.364 59 Q HA -0.016 4.324 4.340 -0.000 0.000 0.207 59 Q C 1.771 177.739 176.000 -0.053 0.000 0.970 59 Q CA 0.869 56.657 55.803 -0.024 0.000 0.888 59 Q CB -0.231 28.506 28.738 -0.002 0.000 0.951 59 Q HN 0.525 nan 8.270 nan 0.000 0.469 60 L N -0.827 120.364 121.223 -0.053 0.000 2.592 60 L HA 0.211 4.551 4.340 -0.000 0.000 0.227 60 L C 1.096 177.873 176.870 -0.156 0.000 1.127 60 L CA 0.520 55.294 54.840 -0.110 0.000 0.884 60 L CB 0.226 42.257 42.059 -0.047 0.000 1.065 60 L HN 0.430 nan 8.230 nan 0.000 0.457 61 G N -0.011 108.730 108.800 -0.099 0.000 2.134 61 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.209 61 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.209 61 G C 0.198 175.074 174.900 -0.041 0.000 0.993 61 G CA -0.027 45.020 45.100 -0.088 0.000 0.669 61 G HN 0.225 nan 8.290 nan 0.000 0.519 62 T N 1.082 115.624 114.554 -0.019 0.000 2.889 62 T HA 0.491 4.841 4.350 -0.000 0.000 0.291 62 T C 0.406 175.115 174.700 0.015 0.000 0.995 62 T CA -0.075 62.032 62.100 0.013 0.000 1.092 62 T CB 1.310 70.191 68.868 0.021 0.000 0.954 62 T HN 0.272 nan 8.240 nan 0.000 0.506 63 K N 2.430 122.849 120.400 0.032 0.000 2.262 63 K HA 0.542 4.862 4.320 -0.000 0.000 0.282 63 K C -0.948 175.684 176.600 0.053 0.000 1.066 63 K CA -0.476 55.832 56.287 0.034 0.000 0.901 63 K CB 0.919 33.441 32.500 0.036 0.000 1.089 63 K HN 0.261 nan 8.250 nan 0.000 0.476 64 V N 3.165 123.108 119.914 0.047 0.000 2.735 64 V HA 0.427 4.547 4.120 -0.000 0.000 0.310 64 V C -0.532 175.612 176.094 0.084 0.000 1.061 64 V CA -0.818 61.522 62.300 0.067 0.000 0.913 64 V CB 1.891 33.733 31.823 0.032 0.000 1.005 64 V HN 0.914 nan 8.190 nan 0.000 0.428 65 E N 3.922 124.210 120.200 0.148 0.000 2.388 65 E HA 0.763 5.113 4.350 -0.000 0.000 0.280 65 E C -1.316 175.475 176.600 0.320 0.000 1.019 65 E CA -1.229 55.275 56.400 0.172 0.000 0.806 65 E CB 2.838 32.606 29.700 0.113 0.000 1.246 65 E HN 0.761 nan 8.360 nan 0.000 0.443 66 R N 0.229 120.897 120.500 0.280 0.000 2.810 66 R HA 0.423 4.763 4.340 -0.000 0.000 0.266 66 R C -0.622 175.867 176.300 0.315 0.000 1.061 66 R CA -0.384 55.916 56.100 0.332 0.000 0.943 66 R CB 0.536 30.915 30.300 0.130 0.000 1.237 66 R HN 0.531 nan 8.270 nan 0.000 0.459 67 D N 0.379 120.955 120.400 0.292 0.000 2.099 67 D HA 0.059 4.699 4.640 -0.000 0.000 0.278 67 D C 1.438 177.806 176.300 0.114 0.000 1.140 67 D CA 0.964 55.092 54.000 0.213 0.000 0.894 67 D CB -1.040 39.888 40.800 0.215 0.000 0.945 67 D HN 0.619 nan 8.370 nan 0.000 0.338 68 G N -1.090 107.745 108.800 0.058 0.000 2.683 68 G HA2 0.174 4.134 3.960 -0.000 0.000 0.213 68 G HA3 0.174 4.134 3.960 -0.000 0.000 0.213 68 G C 0.436 175.263 174.900 -0.121 0.000 1.142 68 G CA 0.249 45.338 45.100 -0.020 0.000 0.793 68 G HN 0.364 nan 8.290 nan 0.000 0.534 69 S N -1.202 114.343 115.700 -0.258 0.000 2.704 69 S HA 0.673 5.143 4.470 -0.000 0.000 0.305 69 S C -0.882 173.371 174.600 -0.580 0.000 1.107 69 S CA -0.530 57.332 58.200 -0.562 0.000 0.993 69 S CB 2.451 65.034 63.200 -1.029 0.000 1.110 69 S HN -0.053 nan 8.310 nan 0.000 0.534 70 V N 1.734 121.315 119.914 -0.554 0.000 2.444 70 V HA 0.371 4.491 4.120 -0.000 0.000 0.294 70 V C -1.083 174.836 176.094 -0.291 0.000 1.022 70 V CA -0.600 61.549 62.300 -0.252 0.000 0.850 70 V CB 1.187 32.926 31.823 -0.139 0.000 0.992 70 V HN 0.780 nan 8.190 nan 0.000 0.426 71 W N 5.444 126.746 121.300 0.004 0.000 2.361 71 W HA 0.599 5.259 4.660 -0.000 0.000 0.309 71 W C -0.804 175.723 176.519 0.013 0.000 1.122 71 W CA -0.590 56.764 57.345 0.016 0.000 1.208 71 W CB 1.726 31.196 29.460 0.016 0.000 1.246 71 W HN 0.293 nan 8.180 nan 0.000 0.490 72 I N 3.106 123.796 120.570 0.200 0.000 2.509 72 I HA 0.161 4.331 4.170 -0.000 0.000 0.293 72 I C -0.543 175.656 176.117 0.137 0.000 1.020 72 I CA -0.616 60.764 61.300 0.133 0.000 1.088 72 I CB 1.895 39.944 38.000 0.082 0.000 1.267 72 I HN 0.289 nan 8.210 nan 0.000 0.430 73 D N 5.182 125.649 120.400 0.111 0.000 2.389 73 D HA 0.512 5.152 4.640 -0.000 0.000 0.256 73 D C -0.048 176.306 176.300 0.090 0.000 1.239 73 D CA -0.296 53.763 54.000 0.098 0.000 0.925 73 D CB 1.712 42.562 40.800 0.084 0.000 1.145 73 D HN 0.608 nan 8.370 nan 0.000 0.542 74 A N 2.552 125.435 122.820 0.106 0.000 2.507 74 A HA 0.147 4.467 4.320 -0.000 0.000 0.270 74 A C 1.712 179.390 177.584 0.156 0.000 1.318 74 A CA 0.322 52.436 52.037 0.129 0.000 0.924 74 A CB -0.234 18.860 19.000 0.157 0.000 1.061 74 A HN 0.468 nan 8.150 nan 0.000 0.516 75 S N 1.306 117.078 115.700 0.120 0.000 2.442 75 S HA -0.157 4.313 4.470 -0.000 0.000 0.236 75 S C 0.958 175.641 174.600 0.139 0.000 1.007 75 S CA 1.211 59.483 58.200 0.120 0.000 0.965 75 S CB -0.447 62.802 63.200 0.082 0.000 0.773 75 S HN 0.701 nan 8.310 nan 0.000 0.504 76 N N 0.898 119.665 118.700 0.111 0.000 2.467 76 N HA 0.205 4.945 4.740 -0.000 0.000 0.278 76 N C -0.742 174.786 175.510 0.030 0.000 1.306 76 N CA -0.467 52.631 53.050 0.080 0.000 0.905 76 N CB -0.004 38.508 38.487 0.041 0.000 1.236 76 N HN 0.197 nan 8.380 nan 0.000 0.509 77 V N 2.451 122.397 119.914 0.054 0.000 2.458 77 V HA -0.021 4.099 4.120 -0.000 0.000 0.287 77 V C 0.834 176.726 176.094 -0.336 0.000 1.009 77 V CA 0.138 62.357 62.300 -0.135 0.000 1.091 77 V CB -0.178 31.557 31.823 -0.146 0.000 0.960 77 V HN 0.619 nan 8.190 nan 0.000 0.476 78 N N 2.643 121.097 118.700 -0.411 0.000 2.171 78 N HA 0.112 4.852 4.740 -0.000 0.000 0.212 78 N C -0.076 174.921 175.510 -0.855 0.000 1.184 78 N CA -0.360 52.386 53.050 -0.506 0.000 0.888 78 N CB 0.274 38.617 38.487 -0.240 0.000 1.038 78 N HN 0.605 nan 8.380 nan 0.000 0.517 79 N N -0.206 117.921 118.700 -0.956 0.000 2.258 79 N HA 0.380 5.120 4.740 -0.000 0.000 0.299 79 N C -1.697 173.251 175.510 -0.936 0.000 1.047 79 N CA -0.798 51.747 53.050 -0.842 0.000 0.814 79 N CB 0.930 39.196 38.487 -0.369 0.000 1.413 79 N HN 0.033 nan 8.380 nan 0.000 0.478 80 F N 0.723 120.613 119.950 -0.100 0.000 2.881 80 F HA 0.438 4.965 4.527 0.000 0.000 0.343 80 F C 0.470 176.272 175.800 0.003 0.000 1.233 80 F CA -0.587 57.374 58.000 -0.065 0.000 1.262 80 F CB 0.264 39.222 39.000 -0.070 0.000 0.980 80 F HN 0.297 nan 8.300 nan 0.000 0.506 81 S N 0.973 116.729 115.700 0.094 0.000 2.540 81 S HA 0.852 5.322 4.470 -0.000 0.000 0.275 81 S C -0.983 173.698 174.600 0.134 0.000 1.123 81 S CA -0.452 57.817 58.200 0.115 0.000 0.907 81 S CB 1.409 64.630 63.200 0.034 0.000 1.081 81 S HN 0.221 nan 8.310 nan 0.000 0.476 82 A N 5.763 128.705 122.820 0.203 0.000 2.316 82 A HA 0.686 5.006 4.320 -0.000 0.000 0.324 82 A C -2.559 175.190 177.584 0.274 0.000 1.375 82 A CA -1.781 50.373 52.037 0.195 0.000 0.882 82 A CB 0.248 19.354 19.000 0.176 0.000 1.152 82 A HN 0.659 nan 8.150 nan 0.000 0.512 83 P HA -0.111 nan 4.420 nan 0.000 0.268 83 P C 0.340 177.768 177.300 0.213 0.000 1.208 83 P CA 0.171 63.470 63.100 0.332 0.000 0.777 83 P CB 0.605 32.429 31.700 0.208 0.000 0.875 84 Y N 2.974 123.328 120.300 0.090 0.000 2.114 84 Y HA -0.277 4.273 4.550 -0.000 0.000 0.282 84 Y C 2.026 177.916 175.900 -0.016 0.000 1.165 84 Y CA 2.601 60.662 58.100 -0.065 0.000 1.148 84 Y CB -0.729 37.680 38.460 -0.085 0.000 0.972 84 Y HN 0.379 nan 8.280 nan 0.000 0.504 85 D N -0.333 120.096 120.400 0.048 0.000 2.309 85 D HA -0.206 4.434 4.640 -0.000 0.000 0.212 85 D C 1.955 178.197 176.300 -0.097 0.000 0.968 85 D CA 1.260 55.233 54.000 -0.045 0.000 0.882 85 D CB -0.426 40.414 40.800 0.067 0.000 0.918 85 D HN 0.476 nan 8.370 nan 0.000 0.503 86 L N 0.587 121.771 121.223 -0.065 0.000 2.269 86 L HA -0.036 4.304 4.340 -0.000 0.000 0.200 86 L C 2.746 179.566 176.870 -0.083 0.000 1.069 86 L CA 0.387 55.201 54.840 -0.043 0.000 0.804 86 L CB -0.053 42.019 42.059 0.022 0.000 0.987 86 L HN -0.033 nan 8.230 nan 0.000 0.468 87 V N -0.440 119.405 119.914 -0.116 0.000 2.515 87 V HA -0.238 3.882 4.120 -0.000 0.000 0.250 87 V C 2.317 178.275 176.094 -0.227 0.000 1.058 87 V CA 1.900 64.114 62.300 -0.144 0.000 1.064 87 V CB -0.919 30.820 31.823 -0.141 0.000 0.675 87 V HN 0.612 nan 8.190 nan 0.000 0.461 88 K N 1.924 122.097 120.400 -0.379 0.000 2.360 88 K HA -0.114 4.206 4.320 -0.000 0.000 0.201 88 K C 1.795 178.268 176.600 -0.213 0.000 1.046 88 K CA 1.801 57.849 56.287 -0.398 0.000 0.945 88 K CB -0.758 31.344 32.500 -0.663 0.000 0.750 88 K HN 0.680 nan 8.250 nan 0.000 0.464 89 T N -2.386 112.074 114.554 -0.158 0.000 3.022 89 T HA 0.206 4.556 4.350 -0.000 0.000 0.250 89 T C 0.556 175.225 174.700 -0.052 0.000 1.060 89 T CA -0.423 61.625 62.100 -0.087 0.000 1.013 89 T CB 0.082 68.908 68.868 -0.069 0.000 0.982 89 T HN 0.249 nan 8.240 nan 0.000 0.508 90 M N 2.078 121.639 119.600 -0.066 0.000 2.356 90 M HA 0.347 4.827 4.480 -0.000 0.000 0.215 90 M C 0.344 176.590 176.300 -0.090 0.000 0.978 90 M CA -0.623 54.651 55.300 -0.043 0.000 0.972 90 M CB 1.335 33.948 32.600 0.022 0.000 2.529 90 M HN 0.159 nan 8.290 nan 0.000 0.447 91 R N 2.092 122.508 120.500 -0.139 0.000 2.237 91 R HA 0.114 4.454 4.340 -0.000 0.000 0.219 91 R C 1.260 177.372 176.300 -0.314 0.000 1.080 91 R CA 1.479 57.454 56.100 -0.209 0.000 0.995 91 R CB -0.441 29.732 30.300 -0.212 0.000 0.875 91 R HN 0.617 nan 8.270 nan 0.000 0.462 92 A N 1.140 123.782 122.820 -0.296 0.000 2.125 92 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 92 A C 1.973 179.262 177.584 -0.490 0.000 1.156 92 A CA 1.435 53.187 52.037 -0.475 0.000 0.671 92 A CB -0.507 18.404 19.000 -0.149 0.000 0.794 92 A HN 0.421 nan 8.150 nan 0.000 0.459 93 S N -0.405 115.143 115.700 -0.254 0.000 2.440 93 S HA -0.160 4.310 4.470 -0.000 0.000 0.238 93 S C 1.652 176.054 174.600 -0.331 0.000 1.010 93 S CA 1.185 59.270 58.200 -0.192 0.000 0.972 93 S CB -0.427 62.785 63.200 0.020 0.000 0.774 93 S HN 0.606 nan 8.310 nan 0.000 0.501 94 I N 0.937 121.284 120.570 -0.372 0.000 2.423 94 I HA -0.122 4.048 4.170 -0.000 0.000 0.254 94 I C 1.402 177.397 176.117 -0.203 0.000 1.151 94 I CA 0.963 62.082 61.300 -0.301 0.000 1.421 94 I CB -0.364 37.371 38.000 -0.443 0.000 1.079 94 I HN 0.384 nan 8.210 nan 0.000 0.431 95 W N 0.546 121.561 121.300 -0.475 0.000 2.848 95 W HA 0.036 4.696 4.660 -0.000 0.000 0.241 95 W C 2.305 178.652 176.519 -0.286 0.000 1.289 95 W CA 0.780 57.873 57.345 -0.420 0.000 1.396 95 W CB -1.175 27.929 29.460 -0.593 0.000 1.138 95 W HN 0.316 nan 8.180 nan 0.000 0.677 96 A N -0.539 122.263 122.820 -0.029 0.000 2.021 96 A HA -0.048 4.272 4.320 -0.000 0.000 0.216 96 A C 1.937 179.664 177.584 0.237 0.000 1.163 96 A CA 0.658 52.870 52.037 0.292 0.000 0.676 96 A CB -0.542 18.685 19.000 0.379 0.000 0.818 96 A HN 0.120 nan 8.150 nan 0.000 0.453 97 L N 0.373 121.696 121.223 0.166 0.000 1.989 97 L HA -0.087 4.253 4.340 -0.000 0.000 0.211 97 L C 2.421 179.389 176.870 0.164 0.000 1.071 97 L CA 2.424 57.359 54.840 0.158 0.000 0.749 97 L CB -1.134 40.997 42.059 0.120 0.000 0.890 97 L HN 0.314 nan 8.230 nan 0.000 0.431 98 G N -0.829 108.074 108.800 0.172 0.000 2.480 98 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 98 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 98 G C -0.577 174.403 174.900 0.133 0.000 1.200 98 G CA 0.957 46.142 45.100 0.141 0.000 0.782 98 G HN 0.371 nan 8.290 nan 0.000 0.554 99 P HA -0.082 nan 4.420 nan 0.000 0.216 99 P C 2.112 179.533 177.300 0.202 0.000 1.153 99 P CA 0.831 64.030 63.100 0.165 0.000 0.858 99 P CB -0.123 31.709 31.700 0.221 0.000 0.789 100 L N -1.141 120.248 121.223 0.276 0.000 1.994 100 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 100 L C 2.492 179.514 176.870 0.254 0.000 1.071 100 L CA 1.403 56.471 54.840 0.380 0.000 0.745 100 L CB -1.219 41.046 42.059 0.343 0.000 0.892 100 L HN -0.090 nan 8.230 nan 0.000 0.431 101 V N -0.171 119.829 119.914 0.144 0.000 2.515 101 V HA -0.202 3.918 4.120 -0.000 0.000 0.250 101 V C 2.544 178.654 176.094 0.027 0.000 1.058 101 V CA 1.699 64.040 62.300 0.068 0.000 1.064 101 V CB -0.002 31.855 31.823 0.056 0.000 0.675 101 V HN 0.417 nan 8.190 nan 0.000 0.461 102 A N 0.022 122.859 122.820 0.028 0.000 1.898 102 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 102 A C 2.436 179.966 177.584 -0.089 0.000 1.181 102 A CA 1.937 53.962 52.037 -0.021 0.000 0.620 102 A CB -0.530 18.465 19.000 -0.008 0.000 0.819 102 A HN 0.574 nan 8.150 nan 0.000 0.442 103 R N -2.279 118.133 120.500 -0.146 0.000 2.128 103 R HA 0.133 4.473 4.340 -0.000 0.000 0.211 103 R C 0.802 176.752 176.300 -0.583 0.000 1.067 103 R CA 0.879 56.736 56.100 -0.406 0.000 1.010 103 R CB -0.017 29.923 30.300 -0.600 0.000 0.922 103 R HN 0.482 nan 8.270 nan 0.000 0.457 104 F N -0.940 118.965 119.950 -0.076 0.000 2.682 104 F HA 0.386 4.913 4.527 -0.000 0.000 0.308 104 F C 1.347 177.002 175.800 -0.242 0.000 1.093 104 F CA 0.357 58.241 58.000 -0.192 0.000 1.244 104 F CB 1.344 40.108 39.000 -0.395 0.000 1.052 104 F HN 0.243 nan 8.300 nan 0.000 0.573 105 G N 1.148 109.926 108.800 -0.036 0.000 2.184 105 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.264 105 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.264 105 G C 0.059 174.918 174.900 -0.069 0.000 0.975 105 G CA 0.536 45.604 45.100 -0.052 0.000 0.642 105 G HN 0.533 nan 8.290 nan 0.000 0.536 106 Q N -1.773 117.965 119.800 -0.104 0.000 2.575 106 Q HA 0.662 5.002 4.340 -0.000 0.000 0.290 106 Q C -0.469 175.506 176.000 -0.042 0.000 0.963 106 Q CA -0.486 55.255 55.803 -0.103 0.000 0.783 106 Q CB 1.747 30.372 28.738 -0.188 0.000 1.467 106 Q HN 1.733 nan 8.270 nan 0.000 0.402 107 G N 1.124 109.955 108.800 0.053 0.000 2.429 107 G HA2 0.414 4.374 3.960 -0.000 0.000 0.300 107 G HA3 0.414 4.374 3.960 -0.000 0.000 0.300 107 G C -2.196 172.789 174.900 0.140 0.000 1.598 107 G CA -0.473 44.716 45.100 0.148 0.000 0.863 107 G HN 0.817 nan 8.290 nan 0.000 0.614 108 Q N -0.146 119.756 119.800 0.170 0.000 2.271 108 Q HA 0.740 5.080 4.340 -0.000 0.000 0.268 108 Q C -1.681 174.467 176.000 0.247 0.000 1.021 108 Q CA -1.069 54.844 55.803 0.183 0.000 0.802 108 Q CB 2.793 31.616 28.738 0.142 0.000 1.282 108 Q HN 0.525 nan 8.270 nan 0.000 0.431 109 V N 1.517 121.574 119.914 0.238 0.000 2.680 109 V HA 0.418 4.538 4.120 -0.000 0.000 0.309 109 V C -0.118 176.051 176.094 0.125 0.000 1.052 109 V CA -0.796 61.620 62.300 0.193 0.000 0.908 109 V CB 1.965 33.839 31.823 0.085 0.000 1.001 109 V HN 0.915 nan 8.190 nan 0.000 0.431 110 S N 3.309 118.993 115.700 -0.027 0.000 2.516 110 S HA 0.231 4.701 4.470 -0.000 0.000 0.282 110 S C -0.278 174.220 174.600 -0.169 0.000 1.286 110 S CA -0.425 57.554 58.200 -0.368 0.000 1.066 110 S CB 0.039 63.008 63.200 -0.384 0.000 0.884 110 S HN 0.579 nan 8.310 nan 0.000 0.491 111 L N 9.063 130.198 121.223 -0.146 0.000 2.562 111 L HA 0.329 4.669 4.340 -0.000 0.000 0.271 111 L C -1.871 174.942 176.870 -0.095 0.000 1.167 111 L CA -1.136 53.647 54.840 -0.095 0.000 0.917 111 L CB 0.017 42.040 42.059 -0.061 0.000 1.187 111 L HN 0.480 nan 8.230 nan 0.000 0.482 112 P HA 0.144 nan 4.420 nan 0.000 0.266 112 P C 0.005 177.258 177.300 -0.078 0.000 1.195 112 P CA -0.135 62.894 63.100 -0.119 0.000 0.768 112 P CB 0.654 32.257 31.700 -0.162 0.000 0.838 113 G N 1.720 110.486 108.800 -0.057 0.000 2.582 113 G HA2 0.480 4.440 3.960 -0.000 0.000 0.232 113 G HA3 0.480 4.440 3.960 -0.000 0.000 0.232 113 G C 0.230 175.106 174.900 -0.039 0.000 1.458 113 G CA -0.382 44.702 45.100 -0.025 0.000 1.062 113 G HN 0.627 nan 8.290 nan 0.000 0.566 114 G N -1.075 107.711 108.800 -0.024 0.000 2.569 114 G HA2 0.407 4.367 3.960 -0.000 0.000 0.249 114 G HA3 0.407 4.367 3.960 -0.000 0.000 0.249 114 G C -0.040 174.834 174.900 -0.043 0.000 1.216 114 G CA 0.614 45.697 45.100 -0.028 0.000 0.845 114 G HN 0.725 nan 8.290 nan 0.000 0.568 115 S N -0.711 114.957 115.700 -0.053 0.000 2.648 115 S HA 0.586 5.056 4.470 -0.000 0.000 0.305 115 S C 1.440 175.995 174.600 -0.075 0.000 1.094 115 S CA 0.230 58.383 58.200 -0.078 0.000 0.983 115 S CB 1.570 64.698 63.200 -0.120 0.000 1.101 115 S HN 1.145 nan 8.310 nan 0.000 0.514 116 A N 2.185 124.954 122.820 -0.085 0.000 1.908 116 A HA -0.020 4.300 4.320 -0.000 0.000 0.218 116 A C 1.774 179.294 177.584 -0.106 0.000 1.181 116 A CA 1.875 53.863 52.037 -0.082 0.000 0.627 116 A CB -1.003 17.940 19.000 -0.096 0.000 0.818 116 A HN 1.043 nan 8.150 nan 0.000 0.445 117 I N -4.539 115.926 120.570 -0.176 0.000 3.875 117 I HA 0.542 4.712 4.170 -0.000 0.000 0.329 117 I C 0.630 176.675 176.117 -0.119 0.000 1.295 117 I CA 0.313 61.496 61.300 -0.194 0.000 1.129 117 I CB -0.234 37.542 38.000 -0.374 0.000 1.008 117 I HN 0.290 nan 8.210 nan 0.000 0.413 118 G N 0.085 108.843 108.800 -0.070 0.000 2.328 118 G HA2 0.375 4.335 3.960 -0.000 0.000 0.299 118 G HA3 0.375 4.335 3.960 -0.000 0.000 0.299 118 G C 0.046 174.954 174.900 0.013 0.000 1.435 118 G CA -0.283 44.831 45.100 0.024 0.000 0.865 118 G HN 0.041 nan 8.290 nan 0.000 0.601 119 A N -0.213 122.625 122.820 0.030 0.000 1.969 119 A HA 0.257 4.577 4.320 -0.000 0.000 0.218 119 A C 1.554 179.146 177.584 0.013 0.000 1.169 119 A CA 1.734 53.778 52.037 0.012 0.000 0.635 119 A CB -0.554 18.452 19.000 0.010 0.000 0.810 119 A HN 1.458 nan 8.150 nan 0.000 0.445 120 R N -0.883 119.651 120.500 0.056 0.000 3.092 120 R HA -0.129 4.211 4.340 -0.000 0.000 0.245 120 R C -2.319 173.983 176.300 0.004 0.000 0.881 120 R CA 0.397 56.536 56.100 0.065 0.000 0.614 120 R CB -1.878 28.460 30.300 0.064 0.000 1.128 120 R HN 0.536 nan 8.270 nan 0.000 0.483 121 P HA 0.037 nan 4.420 nan 0.000 0.272 121 P C 0.611 177.897 177.300 -0.023 0.000 1.240 121 P CA -0.074 63.017 63.100 -0.016 0.000 0.791 121 P CB 0.818 32.517 31.700 -0.002 0.000 0.978 122 V N -2.893 116.991 119.914 -0.051 0.000 3.085 122 V HA 0.090 4.210 4.120 -0.000 0.000 0.345 122 V C 1.431 177.566 176.094 0.069 0.000 1.397 122 V CA 0.166 62.419 62.300 -0.078 0.000 1.165 122 V CB -0.677 30.941 31.823 -0.341 0.000 1.153 122 V HN 0.513 nan 8.190 nan 0.000 0.495 123 D N 1.398 121.841 120.400 0.072 0.000 2.190 123 D HA -0.265 4.375 4.640 -0.000 0.000 0.200 123 D C 1.694 178.093 176.300 0.166 0.000 0.992 123 D CA 1.615 55.672 54.000 0.095 0.000 0.854 123 D CB -0.031 40.797 40.800 0.045 0.000 0.936 123 D HN 0.552 nan 8.370 nan 0.000 0.462 124 L N -0.299 121.036 121.223 0.186 0.000 2.240 124 L HA -0.049 4.291 4.340 -0.000 0.000 0.211 124 L C 2.717 179.744 176.870 0.261 0.000 1.106 124 L CA 0.626 55.590 54.840 0.206 0.000 0.793 124 L CB -0.515 41.616 42.059 0.119 0.000 0.927 124 L HN 0.112 nan 8.230 nan 0.000 0.446 125 H N -0.044 119.094 119.070 0.115 0.000 2.326 125 H HA -0.094 4.462 4.556 -0.000 0.000 0.301 125 H C 2.432 177.824 175.328 0.106 0.000 1.081 125 H CA 1.494 57.607 56.048 0.108 0.000 1.334 125 H CB 0.217 30.023 29.762 0.072 0.000 1.385 125 H HN 0.296 nan 8.280 nan 0.000 0.504 126 I N 0.468 121.187 120.570 0.248 0.000 2.226 126 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 126 I C 2.512 178.725 176.117 0.160 0.000 1.100 126 I CA 1.090 62.488 61.300 0.164 0.000 1.374 126 I CB -0.324 37.755 38.000 0.132 0.000 1.057 126 I HN 0.092 nan 8.210 nan 0.000 0.413 127 F N 1.862 121.850 119.950 0.062 0.000 2.069 127 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 127 F C 2.327 178.149 175.800 0.037 0.000 1.113 127 F CA 1.825 59.850 58.000 0.041 0.000 1.214 127 F CB -0.953 38.067 39.000 0.033 0.000 0.978 127 F HN -0.003 nan 8.300 nan 0.000 0.474 128 G N 0.778 109.587 108.800 0.015 0.000 2.446 128 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 128 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 128 G C 1.811 176.643 174.900 -0.114 0.000 1.168 128 G CA 1.105 46.146 45.100 -0.097 0.000 0.771 128 G HN 0.448 nan 8.290 nan 0.000 0.551 129 L N 0.041 121.249 121.223 -0.026 0.000 2.083 129 L HA -0.066 4.274 4.340 -0.000 0.000 0.209 129 L C 2.876 179.710 176.870 -0.060 0.000 1.083 129 L CA 1.202 56.033 54.840 -0.016 0.000 0.752 129 L CB -0.398 41.685 42.059 0.039 0.000 0.899 129 L HN 0.325 nan 8.230 nan 0.000 0.433 130 E N -0.193 119.951 120.200 -0.095 0.000 2.106 130 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 130 E C 2.086 178.583 176.600 -0.172 0.000 0.984 130 E CA 0.668 57.002 56.400 -0.110 0.000 0.806 130 E CB 0.129 29.774 29.700 -0.092 0.000 0.750 130 E HN 0.282 nan 8.360 nan 0.000 0.458 131 K N 0.462 120.683 120.400 -0.298 0.000 2.283 131 K HA -0.051 4.269 4.320 -0.000 0.000 0.202 131 K C 1.826 178.337 176.600 -0.149 0.000 1.048 131 K CA 0.621 56.736 56.287 -0.286 0.000 0.948 131 K CB 0.036 32.275 32.500 -0.435 0.000 0.742 131 K HN 0.233 nan 8.250 nan 0.000 0.458 132 L N -0.256 120.898 121.223 -0.115 0.000 2.591 132 L HA 0.055 4.395 4.340 -0.000 0.000 0.228 132 L C 1.067 177.905 176.870 -0.053 0.000 1.133 132 L CA 0.454 55.254 54.840 -0.068 0.000 0.880 132 L CB -0.057 41.973 42.059 -0.049 0.000 1.033 132 L HN 0.370 nan 8.230 nan 0.000 0.450 133 G N -0.347 108.417 108.800 -0.059 0.000 2.179 133 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 133 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 133 G C 0.338 175.220 174.900 -0.031 0.000 0.990 133 G CA -0.124 44.951 45.100 -0.042 0.000 0.646 133 G HN 0.429 nan 8.290 nan 0.000 0.517 134 A N 0.178 122.981 122.820 -0.028 0.000 2.388 134 A HA 0.651 4.971 4.320 -0.000 0.000 0.257 134 A C 0.334 177.914 177.584 -0.007 0.000 1.095 134 A CA 0.465 52.495 52.037 -0.012 0.000 0.791 134 A CB 0.563 19.564 19.000 0.001 0.000 1.029 134 A HN 0.573 nan 8.150 nan 0.000 0.489 135 E N 2.164 122.365 120.200 0.002 0.000 2.174 135 E HA 0.431 4.781 4.350 -0.000 0.000 0.282 135 E C -1.046 175.566 176.600 0.020 0.000 0.992 135 E CA -0.494 55.911 56.400 0.008 0.000 0.803 135 E CB 0.508 30.212 29.700 0.007 0.000 1.090 135 E HN 0.497 nan 8.360 nan 0.000 0.396 136 I N 4.534 125.119 120.570 0.026 0.000 2.378 136 I HA 0.349 4.519 4.170 -0.000 0.000 0.291 136 I C -0.141 176.000 176.117 0.040 0.000 0.992 136 I CA -0.641 60.682 61.300 0.039 0.000 1.154 136 I CB 1.337 39.366 38.000 0.047 0.000 1.315 136 I HN 0.511 nan 8.210 nan 0.000 0.448 137 K N 5.106 125.533 120.400 0.045 0.000 2.385 137 K HA 0.660 4.980 4.320 -0.000 0.000 0.248 137 K C -1.315 175.319 176.600 0.057 0.000 0.955 137 K CA -0.943 55.371 56.287 0.045 0.000 0.816 137 K CB 3.151 35.675 32.500 0.040 0.000 1.250 137 K HN 0.296 nan 8.250 nan 0.000 0.434 138 L N 2.380 123.635 121.223 0.053 0.000 2.325 138 L HA 0.343 4.683 4.340 -0.000 0.000 0.281 138 L C -1.387 175.521 176.870 0.063 0.000 1.004 138 L CA 0.157 55.033 54.840 0.061 0.000 0.823 138 L CB 1.054 43.138 42.059 0.043 0.000 1.236 138 L HN 0.705 nan 8.230 nan 0.000 0.415 139 E N 3.265 123.520 120.200 0.092 0.000 2.291 139 E HA 0.378 4.728 4.350 -0.000 0.000 0.276 139 E C -0.864 175.817 176.600 0.135 0.000 0.896 139 E CA -0.712 55.740 56.400 0.086 0.000 0.774 139 E CB 1.202 30.941 29.700 0.066 0.000 1.227 139 E HN 0.625 nan 8.360 nan 0.000 0.413 140 E N 1.360 121.618 120.200 0.096 0.000 2.476 140 E HA -0.302 4.048 4.350 -0.000 0.000 0.251 140 E C 0.696 177.368 176.600 0.121 0.000 1.130 140 E CA 0.698 57.164 56.400 0.111 0.000 0.736 140 E CB -1.610 28.179 29.700 0.148 0.000 1.298 140 E HN 1.199 nan 8.360 nan 0.000 0.400 141 G N -1.112 107.713 108.800 0.042 0.000 2.179 141 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.260 141 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.260 141 G C -0.222 174.586 174.900 -0.153 0.000 0.977 141 G CA 0.590 45.648 45.100 -0.070 0.000 0.641 141 G HN 0.326 nan 8.290 nan 0.000 0.533 142 Y N -0.554 119.766 120.300 0.032 0.000 2.331 142 Y HA 0.527 5.077 4.550 -0.000 0.000 0.338 142 Y C 0.546 176.466 175.900 0.034 0.000 0.992 142 Y CA -0.546 57.579 58.100 0.042 0.000 1.121 142 Y CB 2.132 40.619 38.460 0.045 0.000 1.184 142 Y HN 0.309 nan 8.280 nan 0.000 0.469 143 V N 5.539 125.547 119.914 0.156 0.000 2.389 143 V HA 0.342 4.462 4.120 -0.000 0.000 0.264 143 V C -0.690 175.483 176.094 0.131 0.000 1.049 143 V CA -0.583 61.782 62.300 0.108 0.000 0.932 143 V CB -0.011 31.848 31.823 0.060 0.000 1.011 143 V HN 0.699 nan 8.190 nan 0.000 0.475 144 K N 6.581 127.047 120.400 0.111 0.000 2.281 144 K HA 0.729 5.049 4.320 -0.000 0.000 0.272 144 K C -0.195 176.446 176.600 0.068 0.000 1.048 144 K CA -0.177 56.165 56.287 0.093 0.000 0.898 144 K CB 1.814 34.361 32.500 0.077 0.000 1.128 144 K HN 0.845 nan 8.250 nan 0.000 0.460 145 A N 2.125 124.986 122.820 0.068 0.000 2.312 145 A HA 0.672 4.992 4.320 -0.000 0.000 0.326 145 A C -0.388 177.215 177.584 0.032 0.000 1.172 145 A CA -0.543 51.524 52.037 0.051 0.000 0.821 145 A CB 0.894 19.931 19.000 0.062 0.000 1.166 145 A HN 0.707 nan 8.150 nan 0.000 0.493 146 S N 0.086 115.797 115.700 0.018 0.000 2.550 146 S HA 0.744 5.214 4.470 -0.000 0.000 0.270 146 S C -1.280 173.317 174.600 -0.004 0.000 1.145 146 S CA -0.493 57.707 58.200 0.001 0.000 0.852 146 S CB 1.337 64.536 63.200 -0.001 0.000 1.119 146 S HN 2.103 nan 8.310 nan 0.000 0.465 147 V N 1.511 121.417 119.914 -0.014 0.000 2.924 147 V HA 0.515 4.635 4.120 -0.000 0.000 0.300 147 V C -1.460 174.621 176.094 -0.021 0.000 1.227 147 V CA -0.671 61.619 62.300 -0.016 0.000 0.954 147 V CB 1.881 33.693 31.823 -0.018 0.000 1.055 147 V HN 1.115 nan 8.190 nan 0.000 0.429 148 N N 4.590 123.279 118.700 -0.018 0.000 2.415 148 N HA 0.560 5.300 4.740 -0.000 0.000 0.246 148 N C 0.398 175.896 175.510 -0.021 0.000 1.078 148 N CA 0.851 53.890 53.050 -0.018 0.000 0.942 148 N CB 0.870 39.350 38.487 -0.013 0.000 1.140 148 N HN 1.405 nan 8.380 nan 0.000 0.501 149 G N 2.880 111.665 108.800 -0.025 0.000 2.481 149 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.230 149 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.230 149 G C -0.853 174.026 174.900 -0.036 0.000 1.210 149 G CA -0.714 44.369 45.100 -0.028 0.000 0.936 149 G HN 0.594 nan 8.290 nan 0.000 0.583 150 R N -0.243 120.235 120.500 -0.036 0.000 2.604 150 R HA 0.634 4.974 4.340 -0.000 0.000 0.287 150 R C 0.595 176.874 176.300 -0.035 0.000 0.970 150 R CA -0.831 55.244 56.100 -0.042 0.000 0.946 150 R CB 1.283 31.556 30.300 -0.045 0.000 1.127 150 R HN 0.494 nan 8.270 nan 0.000 0.473 151 L N 1.870 123.071 121.223 -0.036 0.000 2.483 151 L HA 0.063 4.403 4.340 -0.000 0.000 0.277 151 L C 0.431 177.281 176.870 -0.033 0.000 1.248 151 L CA 0.605 55.426 54.840 -0.032 0.000 0.825 151 L CB 0.063 42.104 42.059 -0.030 0.000 1.096 151 L HN 0.384 nan 8.230 nan 0.000 0.512 152 K N 0.446 120.826 120.400 -0.032 0.000 2.345 152 K HA 0.375 4.695 4.320 -0.000 0.000 0.255 152 K C -0.140 176.442 176.600 -0.031 0.000 0.934 152 K CA -0.686 55.583 56.287 -0.030 0.000 0.801 152 K CB 1.839 34.324 32.500 -0.027 0.000 1.137 152 K HN 0.717 nan 8.250 nan 0.000 0.424 153 G N 1.207 109.990 108.800 -0.029 0.000 2.474 153 G HA2 0.347 4.307 3.960 -0.000 0.000 0.233 153 G HA3 0.347 4.307 3.960 -0.000 0.000 0.233 153 G C -0.574 174.315 174.900 -0.019 0.000 1.278 153 G CA -0.055 45.029 45.100 -0.027 0.000 0.861 153 G HN 0.624 nan 8.290 nan 0.000 0.567 154 A N 1.327 124.141 122.820 -0.010 0.000 2.606 154 A HA 0.645 4.965 4.320 -0.000 0.000 0.293 154 A C -0.919 176.706 177.584 0.069 0.000 1.082 154 A CA -0.717 51.329 52.037 0.016 0.000 0.685 154 A CB 1.065 20.056 19.000 -0.015 0.000 1.284 154 A HN 0.972 nan 8.150 nan 0.000 0.408 155 H N 0.990 120.050 119.070 -0.017 0.000 2.705 155 H HA 0.620 5.176 4.556 -0.000 0.000 0.291 155 H C -0.928 174.408 175.328 0.012 0.000 1.085 155 H CA -0.423 55.624 56.048 -0.001 0.000 1.357 155 H CB 0.228 29.993 29.762 0.005 0.000 1.419 155 H HN 0.485 nan 8.280 nan 0.000 0.462 156 I N 6.059 126.782 120.570 0.256 0.000 2.406 156 I HA 0.192 4.362 4.170 -0.000 0.000 0.290 156 I C -0.625 175.588 176.117 0.160 0.000 0.999 156 I CA -1.041 60.353 61.300 0.156 0.000 1.124 156 I CB 1.946 40.013 38.000 0.112 0.000 1.289 156 I HN 0.298 nan 8.210 nan 0.000 0.441 157 V N 6.528 126.516 119.914 0.124 0.000 2.347 157 V HA 0.342 4.462 4.120 -0.000 0.000 0.280 157 V C 0.344 176.490 176.094 0.088 0.000 1.021 157 V CA -0.599 61.742 62.300 0.069 0.000 0.847 157 V CB 1.371 33.185 31.823 -0.015 0.000 0.990 157 V HN 0.613 nan 8.190 nan 0.000 0.444 158 M N 4.433 124.072 119.600 0.066 0.000 2.143 158 M HA 0.222 4.702 4.480 -0.000 0.000 0.348 158 M C 0.360 176.643 176.300 -0.028 0.000 1.375 158 M CA -0.262 55.056 55.300 0.030 0.000 1.124 158 M CB 0.530 33.153 32.600 0.038 0.000 1.669 158 M HN 0.744 nan 8.290 nan 0.000 0.469 159 D N 2.165 122.512 120.400 -0.087 0.000 2.676 159 D HA 0.219 4.859 4.640 -0.000 0.000 0.239 159 D C -0.006 176.251 176.300 -0.071 0.000 1.213 159 D CA -0.059 53.889 54.000 -0.087 0.000 0.835 159 D CB 0.153 40.876 40.800 -0.128 0.000 1.009 159 D HN 0.561 nan 8.370 nan 0.000 0.479 160 K N -0.527 119.843 120.400 -0.050 0.000 2.712 160 K HA 0.180 4.500 4.320 -0.000 0.000 0.274 160 K C -1.847 174.737 176.600 -0.028 0.000 1.025 160 K CA -0.701 55.559 56.287 -0.044 0.000 0.904 160 K CB 1.397 33.865 32.500 -0.053 0.000 1.392 160 K HN -0.115 nan 8.250 nan 0.000 0.392 161 V N 2.687 122.584 119.914 -0.028 0.000 2.427 161 V HA 0.308 4.428 4.120 -0.000 0.000 0.268 161 V C -0.067 176.018 176.094 -0.015 0.000 1.046 161 V CA -0.045 62.246 62.300 -0.015 0.000 0.970 161 V CB 0.990 32.805 31.823 -0.013 0.000 1.001 161 V HN 0.624 nan 8.190 nan 0.000 0.476 162 S N 4.157 119.859 115.700 0.004 0.000 2.707 162 S HA 0.392 4.862 4.470 -0.000 0.000 0.303 162 S C 0.597 175.225 174.600 0.047 0.000 1.132 162 S CA -0.611 57.601 58.200 0.021 0.000 1.046 162 S CB 1.798 65.013 63.200 0.024 0.000 1.004 162 S HN 0.342 nan 8.310 nan 0.000 0.483 163 V N 5.527 125.492 119.914 0.084 0.000 2.255 163 V HA -0.059 4.061 4.120 -0.000 0.000 0.247 163 V C 2.677 178.902 176.094 0.219 0.000 1.051 163 V CA 2.650 65.030 62.300 0.133 0.000 1.018 163 V CB -1.265 30.659 31.823 0.169 0.000 0.641 163 V HN 0.947 nan 8.190 nan 0.000 0.445 164 G N -0.500 108.475 108.800 0.292 0.000 2.459 164 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 164 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 164 G C 1.787 176.693 174.900 0.011 0.000 1.183 164 G CA 1.157 46.534 45.100 0.462 0.000 0.776 164 G HN 0.628 nan 8.290 nan 0.000 0.552 165 A N 0.081 122.647 122.820 -0.423 0.000 1.940 165 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 165 A C 2.522 179.982 177.584 -0.207 0.000 1.176 165 A CA 2.499 54.144 52.037 -0.654 0.000 0.631 165 A CB -0.976 17.862 19.000 -0.269 0.000 0.814 165 A HN 0.316 nan 8.150 nan 0.000 0.446 166 T N -0.438 114.077 114.554 -0.065 0.000 2.746 166 T HA -0.120 4.230 4.350 -0.000 0.000 0.267 166 T C 1.867 176.551 174.700 -0.026 0.000 1.039 166 T CA 1.569 63.657 62.100 -0.020 0.000 1.142 166 T CB -0.385 68.486 68.868 0.006 0.000 0.866 166 T HN 0.168 nan 8.240 nan 0.000 0.444 167 V N 1.250 121.159 119.914 -0.007 0.000 2.307 167 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 167 V C 2.802 178.853 176.094 -0.071 0.000 1.045 167 V CA 1.991 64.226 62.300 -0.108 0.000 1.024 167 V CB -1.085 30.538 31.823 -0.332 0.000 0.651 167 V HN 0.498 nan 8.190 nan 0.000 0.449 168 T N 0.408 114.998 114.554 0.058 0.000 2.635 168 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 168 T C 1.782 176.509 174.700 0.044 0.000 1.040 168 T CA 2.171 64.346 62.100 0.125 0.000 1.156 168 T CB -0.318 68.673 68.868 0.205 0.000 0.863 168 T HN 0.340 nan 8.240 nan 0.000 0.430 169 I N 0.699 121.271 120.570 0.003 0.000 2.179 169 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 169 I C 2.605 178.716 176.117 -0.009 0.000 1.088 169 I CA 1.376 62.677 61.300 0.002 0.000 1.357 169 I CB -0.416 37.584 38.000 0.000 0.000 1.051 169 I HN 0.278 nan 8.210 nan 0.000 0.409 170 M N 0.357 119.944 119.600 -0.021 0.000 2.159 170 M HA -0.206 4.273 4.480 -0.000 0.000 0.263 170 M C 2.394 178.674 176.300 -0.034 0.000 1.063 170 M CA 1.849 57.131 55.300 -0.031 0.000 1.110 170 M CB -0.013 32.563 32.600 -0.041 0.000 1.374 170 M HN 0.107 nan 8.290 nan 0.000 0.411 171 S N 0.779 116.460 115.700 -0.032 0.000 2.348 171 S HA -0.057 4.413 4.470 -0.000 0.000 0.221 171 S C 2.028 176.625 174.600 -0.005 0.000 1.033 171 S CA 1.367 59.556 58.200 -0.020 0.000 1.010 171 S CB -0.525 62.668 63.200 -0.012 0.000 0.891 171 S HN 0.702 nan 8.310 nan 0.000 0.442 172 A N 1.381 124.206 122.820 0.010 0.000 1.969 172 A HA 0.182 4.502 4.320 -0.000 0.000 0.218 172 A C 2.291 179.866 177.584 -0.014 0.000 1.169 172 A CA 1.549 53.592 52.037 0.009 0.000 0.635 172 A CB -0.923 18.092 19.000 0.024 0.000 0.810 172 A HN 0.503 nan 8.150 nan 0.000 0.445 173 A N -0.006 122.802 122.820 -0.020 0.000 2.019 173 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 173 A C 2.370 179.930 177.584 -0.039 0.000 1.164 173 A CA 2.310 54.329 52.037 -0.029 0.000 0.644 173 A CB -1.415 17.568 19.000 -0.028 0.000 0.805 173 A HN 0.814 nan 8.150 nan 0.000 0.449 174 T N -1.867 112.661 114.554 -0.044 0.000 2.849 174 T HA -0.071 4.279 4.350 -0.000 0.000 0.270 174 T C 1.356 176.021 174.700 -0.059 0.000 1.066 174 T CA 1.581 63.648 62.100 -0.056 0.000 1.130 174 T CB -0.376 68.451 68.868 -0.068 0.000 0.864 174 T HN 0.330 nan 8.240 nan 0.000 0.481 175 L N 0.434 121.624 121.223 -0.056 0.000 2.728 175 L HA 0.530 4.870 4.340 -0.000 0.000 0.238 175 L C 1.413 178.250 176.870 -0.055 0.000 1.143 175 L CA -0.514 54.288 54.840 -0.063 0.000 0.937 175 L CB -0.278 41.734 42.059 -0.078 0.000 1.225 175 L HN 0.314 nan 8.230 nan 0.000 0.507 176 A N 0.329 123.121 122.820 -0.047 0.000 2.313 176 A HA 0.196 4.516 4.320 -0.000 0.000 0.261 176 A C 0.141 177.701 177.584 -0.040 0.000 1.090 176 A CA -0.223 51.789 52.037 -0.041 0.000 0.807 176 A CB 0.352 19.330 19.000 -0.036 0.000 1.055 176 A HN 0.243 nan 8.150 nan 0.000 0.492 177 E N -0.029 120.150 120.200 -0.036 0.000 2.152 177 E HA 0.456 4.806 4.350 -0.000 0.000 0.285 177 E C 0.609 177.191 176.600 -0.031 0.000 1.043 177 E CA 0.828 57.208 56.400 -0.033 0.000 0.839 177 E CB 0.201 29.884 29.700 -0.030 0.000 1.069 177 E HN 1.350 nan 8.360 nan 0.000 0.399 178 G N 2.963 111.744 108.800 -0.032 0.000 2.548 178 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.208 178 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.208 178 G C -0.506 174.373 174.900 -0.035 0.000 1.308 178 G CA -0.468 44.614 45.100 -0.031 0.000 0.924 178 G HN 0.510 nan 8.290 nan 0.000 0.540 179 T N 1.118 115.650 114.554 -0.037 0.000 2.829 179 T HA 0.683 5.033 4.350 -0.000 0.000 0.282 179 T C 0.001 174.673 174.700 -0.046 0.000 0.990 179 T CA 0.325 62.398 62.100 -0.045 0.000 1.028 179 T CB 1.550 70.386 68.868 -0.054 0.000 0.951 179 T HN 0.744 nan 8.240 nan 0.000 0.460 180 T N 3.418 117.943 114.554 -0.048 0.000 2.841 180 T HA 0.647 4.997 4.350 -0.000 0.000 0.283 180 T C -0.440 174.227 174.700 -0.056 0.000 1.000 180 T CA -0.506 61.570 62.100 -0.040 0.000 0.977 180 T CB 0.701 69.553 68.868 -0.028 0.000 0.979 180 T HN 0.418 nan 8.240 nan 0.000 0.446 181 I N 3.370 123.908 120.570 -0.055 0.000 2.466 181 I HA 0.457 4.627 4.170 -0.000 0.000 0.289 181 I C -0.722 175.425 176.117 0.051 0.000 1.026 181 I CA -0.791 60.464 61.300 -0.076 0.000 1.078 181 I CB 1.922 39.729 38.000 -0.322 0.000 1.249 181 I HN 0.478 nan 8.210 nan 0.000 0.429 182 I N 5.800 126.396 120.570 0.043 0.000 2.330 182 I HA 0.256 4.426 4.170 -0.000 0.000 0.286 182 I C 0.130 176.299 176.117 0.086 0.000 1.025 182 I CA -0.469 60.876 61.300 0.075 0.000 1.197 182 I CB 0.806 38.829 38.000 0.039 0.000 1.358 182 I HN 0.463 nan 8.210 nan 0.000 0.467 183 E N 5.194 125.473 120.200 0.132 0.000 2.283 183 E HA 0.114 4.464 4.350 -0.000 0.000 0.278 183 E C 0.076 176.716 176.600 0.067 0.000 1.027 183 E CA -0.219 56.248 56.400 0.113 0.000 0.843 183 E CB 1.128 30.917 29.700 0.148 0.000 1.062 183 E HN 0.550 nan 8.360 nan 0.000 0.401 184 N N 1.079 119.807 118.700 0.047 0.000 2.783 184 N HA -0.206 4.534 4.740 -0.000 0.000 0.247 184 N C -1.258 174.268 175.510 0.028 0.000 1.089 184 N CA 0.803 53.870 53.050 0.029 0.000 0.690 184 N CB -0.974 37.524 38.487 0.018 0.000 0.991 184 N HN 0.526 nan 8.380 nan 0.000 0.552 185 A N -0.031 122.807 122.820 0.031 0.000 2.332 185 A HA 0.744 5.064 4.320 -0.000 0.000 0.258 185 A C 0.894 178.493 177.584 0.025 0.000 1.087 185 A CA 0.127 52.180 52.037 0.027 0.000 0.802 185 A CB 0.366 19.380 19.000 0.023 0.000 1.042 185 A HN 0.900 nan 8.150 nan 0.000 0.489 186 A N 0.357 123.192 122.820 0.025 0.000 2.425 186 A HA 0.501 4.821 4.320 -0.000 0.000 0.249 186 A C 0.682 178.289 177.584 0.039 0.000 1.084 186 A CA -0.269 51.788 52.037 0.033 0.000 0.781 186 A CB 0.046 19.068 19.000 0.037 0.000 1.019 186 A HN 0.760 nan 8.150 nan 0.000 0.490 187 R N 0.489 121.028 120.500 0.064 0.000 2.432 187 R HA 0.177 4.517 4.340 -0.000 0.000 0.260 187 R C -0.396 175.961 176.300 0.094 0.000 0.935 187 R CA -0.106 56.047 56.100 0.088 0.000 1.080 187 R CB 0.120 30.492 30.300 0.120 0.000 1.155 187 R HN 0.779 nan 8.270 nan 0.000 0.531 188 E N 0.996 121.212 120.200 0.026 0.000 2.467 188 E HA -0.051 4.299 4.350 -0.000 0.000 0.264 188 E C -1.599 174.878 176.600 -0.206 0.000 1.020 188 E CA -1.043 55.270 56.400 -0.146 0.000 0.945 188 E CB 0.432 30.091 29.700 -0.069 0.000 0.942 188 E HN -0.074 nan 8.360 nan 0.000 0.449 189 P HA -0.160 nan 4.420 nan 0.000 0.218 189 P C 0.260 177.497 177.300 -0.104 0.000 1.148 189 P CA 1.182 64.154 63.100 -0.214 0.000 0.822 189 P CB 0.295 31.846 31.700 -0.249 0.000 0.784 190 E N -1.139 119.002 120.200 -0.098 0.000 2.208 190 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 190 E C 1.888 178.452 176.600 -0.060 0.000 0.988 190 E CA 0.670 57.035 56.400 -0.058 0.000 0.828 190 E CB -0.741 28.936 29.700 -0.039 0.000 0.763 190 E HN 0.190 nan 8.360 nan 0.000 0.478 191 I N 0.162 120.699 120.570 -0.055 0.000 2.252 191 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 191 I C 2.077 178.169 176.117 -0.042 0.000 1.102 191 I CA 0.866 62.136 61.300 -0.050 0.000 1.385 191 I CB -0.924 37.060 38.000 -0.026 0.000 1.064 191 I HN 0.021 nan 8.210 nan 0.000 0.414 192 V N 1.027 120.924 119.914 -0.029 0.000 2.287 192 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 192 V C 2.290 178.391 176.094 0.011 0.000 1.053 192 V CA 2.194 64.490 62.300 -0.007 0.000 1.027 192 V CB -0.689 31.135 31.823 0.001 0.000 0.646 192 V HN 0.302 nan 8.190 nan 0.000 0.447 193 D N -0.303 120.111 120.400 0.024 0.000 2.117 193 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 193 D C 2.267 178.552 176.300 -0.024 0.000 0.987 193 D CA 1.720 55.775 54.000 0.092 0.000 0.829 193 D CB -0.128 40.735 40.800 0.105 0.000 0.961 193 D HN 0.400 nan 8.370 nan 0.000 0.460 194 T N -0.491 114.021 114.554 -0.069 0.000 2.821 194 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 194 T C 1.882 176.541 174.700 -0.067 0.000 1.046 194 T CA 1.222 63.263 62.100 -0.097 0.000 1.139 194 T CB -0.292 68.490 68.868 -0.143 0.000 0.871 194 T HN 0.200 nan 8.240 nan 0.000 0.454 195 A N 2.425 125.202 122.820 -0.071 0.000 1.898 195 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 195 A C 2.219 179.743 177.584 -0.101 0.000 1.181 195 A CA 1.304 53.297 52.037 -0.072 0.000 0.620 195 A CB -0.538 18.433 19.000 -0.048 0.000 0.819 195 A HN 0.362 nan 8.150 nan 0.000 0.442 196 N N -0.941 117.705 118.700 -0.089 0.000 2.309 196 N HA -0.112 4.628 4.740 -0.000 0.000 0.182 196 N C 1.331 176.656 175.510 -0.309 0.000 1.018 196 N CA 1.317 54.319 53.050 -0.079 0.000 0.876 196 N CB -0.557 38.003 38.487 0.121 0.000 0.972 196 N HN 0.574 nan 8.380 nan 0.000 0.434 197 F N 1.677 121.157 119.950 -0.783 0.000 2.113 197 F HA 0.006 4.533 4.527 0.000 0.000 0.297 197 F C 1.960 177.521 175.800 -0.398 0.000 1.103 197 F CA 0.953 58.371 58.000 -0.971 0.000 1.248 197 F CB -0.485 37.979 39.000 -0.893 0.000 0.999 197 F HN -0.106 nan 8.300 nan 0.000 0.475 198 L N -0.335 120.607 121.223 -0.468 0.000 2.042 198 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 198 L C 2.431 179.093 176.870 -0.347 0.000 1.076 198 L CA 1.163 55.739 54.840 -0.440 0.000 0.749 198 L CB -0.979 40.963 42.059 -0.195 0.000 0.893 198 L HN 0.039 nan 8.230 nan 0.000 0.432 199 V N 0.189 119.959 119.914 -0.240 0.000 2.392 199 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 199 V C 2.725 178.719 176.094 -0.166 0.000 1.059 199 V CA 1.820 64.025 62.300 -0.158 0.000 1.051 199 V CB -0.912 30.855 31.823 -0.093 0.000 0.658 199 V HN 0.509 nan 8.190 nan 0.000 0.455 200 A N -0.544 122.150 122.820 -0.210 0.000 2.070 200 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 200 A C 2.080 179.541 177.584 -0.206 0.000 1.159 200 A CA 1.402 53.350 52.037 -0.149 0.000 0.656 200 A CB -0.418 18.542 19.000 -0.067 0.000 0.800 200 A HN 0.558 nan 8.150 nan 0.000 0.453 201 L N -2.150 118.871 121.223 -0.337 0.000 2.509 201 L HA 0.232 4.572 4.340 -0.000 0.000 0.222 201 L C 1.653 178.416 176.870 -0.179 0.000 1.123 201 L CA 0.657 55.325 54.840 -0.287 0.000 0.856 201 L CB 0.027 41.840 42.059 -0.410 0.000 0.985 201 L HN 0.561 nan 8.230 nan 0.000 0.456 202 G N -0.521 108.183 108.800 -0.159 0.000 2.227 202 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.168 202 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.168 202 G C 0.330 175.168 174.900 -0.104 0.000 1.006 202 G CA -0.193 44.842 45.100 -0.109 0.000 0.684 202 G HN 0.364 nan 8.290 nan 0.000 0.489 203 A N 0.192 122.935 122.820 -0.130 0.000 2.366 203 A HA 0.676 4.996 4.320 -0.000 0.000 0.249 203 A C 0.375 177.907 177.584 -0.086 0.000 1.084 203 A CA 0.328 52.301 52.037 -0.108 0.000 0.794 203 A CB 0.369 19.294 19.000 -0.125 0.000 1.034 203 A HN 0.330 nan 8.150 nan 0.000 0.491 204 K N 1.166 121.524 120.400 -0.070 0.000 2.464 204 K HA 0.579 4.899 4.320 -0.000 0.000 0.252 204 K C -1.434 175.134 176.600 -0.053 0.000 1.000 204 K CA 0.312 56.565 56.287 -0.056 0.000 0.951 204 K CB 1.024 33.494 32.500 -0.049 0.000 1.183 204 K HN 0.581 nan 8.250 nan 0.000 0.445 205 I N 1.625 122.164 120.570 -0.051 0.000 2.619 205 I HA 0.310 4.480 4.170 -0.000 0.000 0.292 205 I C -0.422 175.674 176.117 -0.035 0.000 1.100 205 I CA -0.708 60.565 61.300 -0.046 0.000 1.043 205 I CB 2.312 40.281 38.000 -0.052 0.000 1.239 205 I HN 0.553 nan 8.210 nan 0.000 0.420 206 S N 2.309 117.991 115.700 -0.031 0.000 2.564 206 S HA 0.837 5.307 4.470 -0.000 0.000 0.274 206 S C 0.212 174.801 174.600 -0.019 0.000 1.124 206 S CA -0.018 58.169 58.200 -0.023 0.000 0.869 206 S CB 2.076 65.262 63.200 -0.023 0.000 1.105 206 S HN 1.316 nan 8.310 nan 0.000 0.472 207 G N 0.764 109.556 108.800 -0.012 0.000 2.213 207 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.236 207 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.236 207 G C 0.130 175.029 174.900 -0.001 0.000 0.991 207 G CA 0.064 45.160 45.100 -0.007 0.000 0.629 207 G HN 1.299 nan 8.290 nan 0.000 0.517 208 Q N 0.571 120.368 119.800 -0.005 0.000 2.247 208 Q HA 0.383 4.723 4.340 -0.000 0.000 0.288 208 Q C 1.112 177.117 176.000 0.009 0.000 1.079 208 Q CA 1.218 57.020 55.803 -0.002 0.000 0.932 208 Q CB 0.772 29.505 28.738 -0.010 0.000 1.133 208 Q HN 1.855 nan 8.270 nan 0.000 0.377 209 G N 2.562 111.373 108.800 0.017 0.000 2.253 209 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.209 209 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.209 209 G C 0.233 175.158 174.900 0.042 0.000 0.997 209 G CA 0.143 45.264 45.100 0.035 0.000 0.640 209 G HN 1.094 nan 8.290 nan 0.000 0.496 210 T N -1.184 113.386 114.554 0.027 0.000 2.938 210 T HA 0.545 4.895 4.350 -0.000 0.000 0.285 210 T C 0.821 175.535 174.700 0.023 0.000 1.028 210 T CA 0.621 62.735 62.100 0.023 0.000 1.005 210 T CB 1.686 70.563 68.868 0.015 0.000 1.157 210 T HN 0.204 nan 8.240 nan 0.000 0.550 211 D N -1.014 119.399 120.400 0.021 0.000 2.352 211 D HA 0.039 4.679 4.640 -0.000 0.000 0.232 211 D C 0.625 176.941 176.300 0.027 0.000 1.055 211 D CA 0.021 54.035 54.000 0.024 0.000 0.891 211 D CB -0.062 40.750 40.800 0.020 0.000 0.897 211 D HN 0.600 nan 8.370 nan 0.000 0.529 212 R N 0.597 121.110 120.500 0.022 0.000 2.502 212 R HA 0.486 4.826 4.340 -0.000 0.000 0.298 212 R C -1.577 174.727 176.300 0.006 0.000 1.018 212 R CA -0.636 55.477 56.100 0.021 0.000 0.899 212 R CB 0.777 31.089 30.300 0.020 0.000 1.181 212 R HN 0.021 nan 8.270 nan 0.000 0.444 213 I N 3.278 123.850 120.570 0.003 0.000 2.404 213 I HA 0.339 4.509 4.170 -0.000 0.000 0.293 213 I C -0.367 175.736 176.117 -0.024 0.000 0.992 213 I CA -0.831 60.463 61.300 -0.010 0.000 1.149 213 I CB 2.481 40.476 38.000 -0.008 0.000 1.315 213 I HN 0.554 nan 8.210 nan 0.000 0.446 214 T N 6.853 121.386 114.554 -0.034 0.000 2.792 214 T HA 0.651 5.001 4.350 -0.000 0.000 0.280 214 T C -0.436 174.237 174.700 -0.045 0.000 0.990 214 T CA -0.330 61.740 62.100 -0.049 0.000 0.960 214 T CB 1.185 70.019 68.868 -0.056 0.000 0.939 214 T HN 0.180 nan 8.240 nan 0.000 0.439 215 I N 2.838 123.380 120.570 -0.047 0.000 2.465 215 I HA 0.339 4.509 4.170 -0.000 0.000 0.291 215 I C -0.068 176.021 176.117 -0.047 0.000 1.014 215 I CA -0.692 60.581 61.300 -0.045 0.000 1.093 215 I CB 1.875 39.849 38.000 -0.042 0.000 1.267 215 I HN 0.390 nan 8.210 nan 0.000 0.431 216 E N 4.821 124.993 120.200 -0.047 0.000 2.092 216 E HA 0.401 4.751 4.350 -0.000 0.000 0.271 216 E C 0.210 176.782 176.600 -0.046 0.000 0.919 216 E CA -0.394 55.979 56.400 -0.044 0.000 0.760 216 E CB 1.764 31.439 29.700 -0.042 0.000 1.106 216 E HN 0.782 nan 8.360 nan 0.000 0.408 217 G N 1.536 110.309 108.800 -0.044 0.000 2.614 217 G HA2 0.340 4.300 3.960 -0.000 0.000 0.239 217 G HA3 0.340 4.300 3.960 -0.000 0.000 0.239 217 G C 0.161 175.033 174.900 -0.048 0.000 1.240 217 G CA -0.183 44.889 45.100 -0.047 0.000 0.842 217 G HN 0.317 nan 8.290 nan 0.000 0.584 218 V N -1.628 118.254 119.914 -0.053 0.000 3.130 218 V HA 0.558 4.678 4.120 -0.000 0.000 0.310 218 V C 0.815 176.876 176.094 -0.055 0.000 1.158 218 V CA -0.798 61.471 62.300 -0.052 0.000 1.029 218 V CB 2.038 33.827 31.823 -0.057 0.000 1.057 218 V HN 0.680 nan 8.190 nan 0.000 0.436 219 E N 1.383 121.553 120.200 -0.051 0.000 2.058 219 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 219 E C 0.731 177.291 176.600 -0.066 0.000 0.997 219 E CA 2.070 58.438 56.400 -0.054 0.000 0.801 219 E CB 0.133 29.806 29.700 -0.044 0.000 0.746 219 E HN 0.802 nan 8.360 nan 0.000 0.450 220 R N -1.224 119.237 120.500 -0.065 0.000 2.734 220 R HA 0.515 4.855 4.340 -0.000 0.000 0.271 220 R C -1.352 174.904 176.300 -0.073 0.000 1.021 220 R CA -0.673 55.383 56.100 -0.074 0.000 0.893 220 R CB 0.745 31.006 30.300 -0.065 0.000 1.244 220 R HN -0.140 nan 8.270 nan 0.000 0.464 221 L N 1.347 122.522 121.223 -0.079 0.000 2.334 221 L HA 0.626 4.966 4.340 -0.000 0.000 0.276 221 L C 0.605 177.433 176.870 -0.070 0.000 1.014 221 L CA -0.706 54.081 54.840 -0.089 0.000 0.815 221 L CB 2.050 44.042 42.059 -0.112 0.000 1.268 221 L HN 1.009 nan 8.230 nan 0.000 0.428 222 G N 1.072 109.829 108.800 -0.072 0.000 2.975 222 G HA2 0.601 4.561 3.960 -0.000 0.000 0.159 222 G HA3 0.601 4.561 3.960 -0.000 0.000 0.159 222 G C 0.023 174.899 174.900 -0.041 0.000 1.525 222 G CA 0.268 45.341 45.100 -0.045 0.000 1.075 222 G HN 0.725 nan 8.290 nan 0.000 0.574 223 G N -2.793 105.994 108.800 -0.022 0.000 3.209 223 G HA2 0.730 4.690 3.960 -0.000 0.000 0.236 223 G HA3 0.730 4.690 3.960 -0.000 0.000 0.236 223 G C -0.195 174.701 174.900 -0.006 0.000 1.329 223 G CA 0.020 45.122 45.100 0.002 0.000 1.015 223 G HN 1.840 nan 8.290 nan 0.000 0.571 224 G N -2.823 106.003 108.800 0.043 0.000 2.356 224 G HA2 0.494 4.454 3.960 -0.000 0.000 0.288 224 G HA3 0.494 4.454 3.960 -0.000 0.000 0.288 224 G C -1.929 173.038 174.900 0.111 0.000 1.302 224 G CA 0.049 45.182 45.100 0.055 0.000 0.887 224 G HN 1.304 nan 8.290 nan 0.000 0.521 225 V N 0.165 120.152 119.914 0.122 0.000 2.656 225 V HA 0.806 4.926 4.120 -0.000 0.000 0.307 225 V C -1.115 175.112 176.094 0.222 0.000 1.051 225 V CA -0.642 61.737 62.300 0.131 0.000 0.893 225 V CB 1.681 33.547 31.823 0.071 0.000 0.999 225 V HN 1.044 nan 8.190 nan 0.000 0.426 226 Y N 3.394 123.737 120.300 0.071 0.000 2.482 226 Y HA 0.555 5.105 4.550 0.000 0.000 0.334 226 Y C -0.405 175.493 175.900 -0.004 0.000 1.091 226 Y CA -0.794 57.358 58.100 0.087 0.000 1.027 226 Y CB 1.680 40.311 38.460 0.285 0.000 1.306 226 Y HN 0.634 nan 8.280 nan 0.000 0.446 227 R N 5.257 125.431 120.500 -0.544 0.000 2.255 227 R HA 0.601 4.941 4.340 -0.000 0.000 0.326 227 R C -1.367 174.715 176.300 -0.364 0.000 0.986 227 R CA -0.552 55.334 56.100 -0.355 0.000 0.847 227 R CB 0.857 30.985 30.300 -0.288 0.000 1.111 227 R HN 0.601 nan 8.270 nan 0.000 0.452 228 V N 6.612 126.448 119.914 -0.130 0.000 2.673 228 V HA -0.007 4.113 4.120 -0.000 0.000 0.303 228 V C 1.022 177.078 176.094 -0.062 0.000 1.046 228 V CA -0.103 62.176 62.300 -0.035 0.000 1.126 228 V CB 0.531 32.331 31.823 -0.038 0.000 0.934 228 V HN 0.690 nan 8.190 nan 0.000 0.487 229 L N 5.493 126.703 121.223 -0.022 0.000 2.476 229 L HA 0.481 4.821 4.340 -0.000 0.000 0.264 229 L C -2.340 174.513 176.870 -0.028 0.000 1.224 229 L CA -1.462 53.359 54.840 -0.032 0.000 0.821 229 L CB -0.118 41.935 42.059 -0.010 0.000 1.101 229 L HN 0.353 nan 8.230 nan 0.000 0.488 230 P HA -0.013 nan 4.420 nan 0.000 0.269 230 P C -1.163 176.131 177.300 -0.009 0.000 1.209 230 P CA 0.048 63.142 63.100 -0.010 0.000 0.776 230 P CB 0.335 32.036 31.700 0.000 0.000 0.876 231 D N 2.711 123.110 120.400 -0.002 0.000 2.344 231 D HA -0.003 4.637 4.640 -0.000 0.000 0.253 231 D C 1.337 177.642 176.300 0.008 0.000 1.255 231 D CA -0.076 53.918 54.000 -0.011 0.000 0.894 231 D CB 0.530 41.314 40.800 -0.027 0.000 1.067 231 D HN 0.342 nan 8.370 nan 0.000 0.492 232 R N 3.736 124.232 120.500 -0.006 0.000 2.148 232 R HA -0.106 4.234 4.340 -0.000 0.000 0.227 232 R C 1.370 177.679 176.300 0.016 0.000 1.103 232 R CA 0.560 56.664 56.100 0.006 0.000 0.983 232 R CB -0.089 30.201 30.300 -0.018 0.000 0.874 232 R HN 0.335 nan 8.270 nan 0.000 0.451 233 I N 1.742 122.308 120.570 -0.007 0.000 2.406 233 I HA -0.114 4.056 4.170 -0.000 0.000 0.249 233 I C 2.513 178.656 176.117 0.043 0.000 1.122 233 I CA 1.142 62.441 61.300 -0.001 0.000 1.431 233 I CB -1.168 36.809 38.000 -0.039 0.000 1.087 233 I HN 0.359 nan 8.210 nan 0.000 0.424 234 E N 1.021 121.235 120.200 0.024 0.000 2.051 234 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 234 E C 2.033 178.803 176.600 0.282 0.000 0.991 234 E CA 1.978 58.467 56.400 0.148 0.000 0.799 234 E CB 0.176 29.963 29.700 0.145 0.000 0.748 234 E HN 0.377 nan 8.360 nan 0.000 0.449 235 T N -0.080 114.602 114.554 0.214 0.000 2.684 235 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 235 T C 1.753 176.576 174.700 0.206 0.000 1.036 235 T CA 1.357 63.592 62.100 0.226 0.000 1.148 235 T CB -0.738 68.211 68.868 0.134 0.000 0.863 235 T HN 0.416 nan 8.240 nan 0.000 0.436 236 G N 0.995 109.882 108.800 0.145 0.000 2.442 236 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.219 236 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.219 236 G C 1.716 176.697 174.900 0.134 0.000 1.141 236 G CA 1.497 46.686 45.100 0.149 0.000 0.763 236 G HN 0.468 nan 8.290 nan 0.000 0.554 237 T N 0.879 115.488 114.554 0.092 0.000 2.708 237 T HA -0.081 4.269 4.350 -0.000 0.000 0.266 237 T C 2.038 176.653 174.700 -0.143 0.000 1.037 237 T CA 1.094 63.169 62.100 -0.041 0.000 1.146 237 T CB -0.345 68.480 68.868 -0.071 0.000 0.865 237 T HN 0.288 nan 8.240 nan 0.000 0.435 238 F N 0.687 120.696 119.950 0.098 0.000 2.325 238 F HA 0.164 4.691 4.527 -0.000 0.000 0.299 238 F C 2.051 177.877 175.800 0.043 0.000 1.090 238 F CA 0.445 58.483 58.000 0.062 0.000 1.392 238 F CB -0.399 38.644 39.000 0.072 0.000 1.053 238 F HN 0.068 nan 8.300 nan 0.000 0.521 239 L N -0.934 120.410 121.223 0.202 0.000 2.093 239 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 239 L C 2.274 179.178 176.870 0.055 0.000 1.085 239 L CA 0.595 55.515 54.840 0.134 0.000 0.755 239 L CB -0.616 41.526 42.059 0.138 0.000 0.904 239 L HN -0.042 nan 8.230 nan 0.000 0.435 240 V N -0.041 119.877 119.914 0.007 0.000 2.515 240 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 240 V C 2.709 178.757 176.094 -0.077 0.000 1.058 240 V CA 1.498 63.735 62.300 -0.106 0.000 1.064 240 V CB -0.640 31.078 31.823 -0.175 0.000 0.675 240 V HN 0.452 nan 8.190 nan 0.000 0.461 241 A N 0.250 123.051 122.820 -0.033 0.000 1.883 241 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 241 A C 2.414 180.002 177.584 0.007 0.000 1.186 241 A CA 2.282 54.310 52.037 -0.015 0.000 0.624 241 A CB -0.741 18.282 19.000 0.038 0.000 0.822 241 A HN 0.566 nan 8.150 nan 0.000 0.444 242 A N -0.486 122.353 122.820 0.033 0.000 1.929 242 A HA 0.283 4.603 4.320 -0.000 0.000 0.216 242 A C 2.463 180.041 177.584 -0.009 0.000 1.176 242 A CA 1.732 53.780 52.037 0.019 0.000 0.628 242 A CB -0.919 18.101 19.000 0.034 0.000 0.816 242 A HN 1.067 nan 8.150 nan 0.000 0.444 243 A N 0.519 123.327 122.820 -0.021 0.000 2.019 243 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 243 A C 1.999 179.552 177.584 -0.052 0.000 1.164 243 A CA 1.479 53.492 52.037 -0.040 0.000 0.644 243 A CB -0.729 18.232 19.000 -0.066 0.000 0.805 243 A HN 0.974 nan 8.150 nan 0.000 0.449 244 I N -3.100 117.433 120.570 -0.062 0.000 3.783 244 I HA 0.120 4.290 4.170 -0.000 0.000 0.310 244 I C 1.366 177.461 176.117 -0.036 0.000 1.274 244 I CA 1.075 62.340 61.300 -0.058 0.000 1.294 244 I CB 0.260 38.214 38.000 -0.077 0.000 1.051 244 I HN 0.215 nan 8.210 nan 0.000 0.435 245 S N 0.097 115.782 115.700 -0.026 0.000 2.602 245 S HA 0.444 4.914 4.470 -0.000 0.000 0.240 245 S C 1.484 176.078 174.600 -0.010 0.000 0.992 245 S CA 0.143 58.334 58.200 -0.016 0.000 0.971 245 S CB 0.160 63.353 63.200 -0.011 0.000 0.855 245 S HN 0.729 nan 8.310 nan 0.000 0.481 246 G N 0.517 109.311 108.800 -0.011 0.000 2.187 246 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.261 246 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.261 246 G C 0.545 175.437 174.900 -0.014 0.000 1.000 246 G CA 0.113 45.210 45.100 -0.006 0.000 0.718 246 G HN 1.086 nan 8.290 nan 0.000 0.519 247 G N -0.950 107.840 108.800 -0.017 0.000 2.525 247 G HA2 0.620 4.580 3.960 -0.000 0.000 0.287 247 G HA3 0.620 4.580 3.960 -0.000 0.000 0.287 247 G C -0.174 174.701 174.900 -0.042 0.000 1.350 247 G CA 0.020 45.107 45.100 -0.022 0.000 1.039 247 G HN 0.632 nan 8.290 nan 0.000 0.513 248 K N -0.909 119.469 120.400 -0.038 0.000 2.443 248 K HA 0.645 4.965 4.320 -0.000 0.000 0.252 248 K C -1.686 174.905 176.600 -0.016 0.000 0.933 248 K CA -0.699 55.559 56.287 -0.049 0.000 0.792 248 K CB 1.998 34.456 32.500 -0.071 0.000 1.185 248 K HN 0.435 nan 8.250 nan 0.000 0.425 249 I N 3.064 123.636 120.570 0.004 0.000 3.006 249 I HA 0.454 4.624 4.170 -0.000 0.000 0.306 249 I C -1.724 174.416 176.117 0.038 0.000 1.250 249 I CA -1.031 60.281 61.300 0.019 0.000 0.996 249 I CB 2.425 40.455 38.000 0.049 0.000 1.261 249 I HN 0.407 nan 8.210 nan 0.000 0.442 250 V N 4.796 124.724 119.914 0.024 0.000 2.531 250 V HA 0.369 4.489 4.120 -0.000 0.000 0.301 250 V C -0.806 175.320 176.094 0.052 0.000 1.034 250 V CA -0.574 61.758 62.300 0.054 0.000 0.865 250 V CB 1.486 33.293 31.823 -0.026 0.000 0.995 250 V HN 0.763 nan 8.190 nan 0.000 0.424 251 C N 6.060 125.432 119.300 0.120 0.000 2.255 251 C HA 0.629 5.089 4.460 -0.000 0.000 0.326 251 C C 0.514 175.582 174.990 0.129 0.000 1.258 251 C CA -1.025 58.047 59.018 0.090 0.000 1.676 251 C CB 0.183 27.993 27.740 0.116 0.000 2.314 251 C HN 0.752 nan 8.230 nan 0.000 0.509 252 R N 2.336 122.876 120.500 0.067 0.000 2.532 252 R HA 0.281 4.621 4.340 -0.000 0.000 0.272 252 R C 0.315 176.655 176.300 0.067 0.000 1.032 252 R CA -0.407 55.743 56.100 0.084 0.000 1.089 252 R CB 0.238 30.553 30.300 0.025 0.000 1.098 252 R HN 0.775 nan 8.270 nan 0.000 0.526 253 N N -1.258 117.486 118.700 0.074 0.000 2.740 253 N HA -0.200 4.540 4.740 -0.000 0.000 0.248 253 N C -1.118 174.417 175.510 0.041 0.000 1.062 253 N CA 1.194 54.271 53.050 0.044 0.000 0.704 253 N CB -0.912 37.586 38.487 0.018 0.000 0.968 253 N HN 0.731 nan 8.380 nan 0.000 0.547 254 A N -0.209 122.647 122.820 0.060 0.000 2.288 254 A HA 0.724 5.044 4.320 -0.000 0.000 0.328 254 A C 0.125 177.715 177.584 0.010 0.000 1.123 254 A CA -0.450 51.612 52.037 0.043 0.000 0.861 254 A CB 1.204 20.243 19.000 0.064 0.000 1.272 254 A HN 0.218 nan 8.150 nan 0.000 0.490 255 Q N 0.637 120.436 119.800 -0.002 0.000 2.616 255 Q HA 0.331 4.671 4.340 -0.000 0.000 0.250 255 Q C -2.288 173.698 176.000 -0.023 0.000 0.991 255 Q CA -1.799 53.992 55.803 -0.020 0.000 0.707 255 Q CB 1.313 30.041 28.738 -0.016 0.000 1.247 255 Q HN 0.429 nan 8.270 nan 0.000 0.491 256 P HA -0.220 nan 4.420 nan 0.000 0.216 256 P C 0.532 177.818 177.300 -0.023 0.000 1.154 256 P CA 1.641 64.709 63.100 -0.054 0.000 0.865 256 P CB 0.179 31.806 31.700 -0.121 0.000 0.789 257 D N -1.399 118.989 120.400 -0.020 0.000 2.392 257 D HA -0.110 4.530 4.640 -0.000 0.000 0.228 257 D C 1.090 177.421 176.300 0.052 0.000 1.003 257 D CA 1.303 55.307 54.000 0.008 0.000 0.917 257 D CB -1.470 39.332 40.800 0.004 0.000 0.890 257 D HN 0.240 nan 8.370 nan 0.000 0.532 258 T N -2.781 111.799 114.554 0.044 0.000 3.086 258 T HA 0.211 4.561 4.350 -0.000 0.000 0.250 258 T C 1.181 175.945 174.700 0.107 0.000 1.074 258 T CA -0.256 61.889 62.100 0.076 0.000 0.988 258 T CB -0.226 68.638 68.868 -0.008 0.000 0.988 258 T HN 0.188 nan 8.240 nan 0.000 0.530 259 L N 0.755 122.016 121.223 0.064 0.000 3.289 259 L HA 0.381 4.721 4.340 -0.000 0.000 0.291 259 L C 0.754 177.643 176.870 0.031 0.000 1.279 259 L CA -0.302 54.563 54.840 0.042 0.000 1.025 259 L CB 0.593 42.673 42.059 0.036 0.000 1.413 259 L HN -0.040 nan 8.230 nan 0.000 0.593 260 D N 1.486 121.901 120.400 0.025 0.000 2.116 260 D HA -0.220 4.420 4.640 -0.000 0.000 0.193 260 D C 2.160 178.471 176.300 0.018 0.000 0.998 260 D CA 1.745 55.752 54.000 0.011 0.000 0.836 260 D CB 0.208 41.002 40.800 -0.010 0.000 0.951 260 D HN 0.406 nan 8.370 nan 0.000 0.449 261 A N 0.627 123.448 122.820 0.002 0.000 1.877 261 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 261 A C 2.597 180.231 177.584 0.084 0.000 1.186 261 A CA 1.419 53.477 52.037 0.034 0.000 0.620 261 A CB -0.801 18.210 19.000 0.018 0.000 0.822 261 A HN 0.153 nan 8.150 nan 0.000 0.443 262 V N 0.258 120.185 119.914 0.021 0.000 2.295 262 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 262 V C 2.593 178.811 176.094 0.207 0.000 1.049 262 V CA 1.986 64.336 62.300 0.083 0.000 1.024 262 V CB -0.806 31.029 31.823 0.020 0.000 0.648 262 V HN 0.570 nan 8.190 nan 0.000 0.447 263 L N 0.163 121.467 121.223 0.134 0.000 2.046 263 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 263 L C 2.752 179.699 176.870 0.128 0.000 1.077 263 L CA 1.638 56.555 54.840 0.129 0.000 0.747 263 L CB -0.923 41.181 42.059 0.075 0.000 0.896 263 L HN 0.370 nan 8.230 nan 0.000 0.432 264 A N -0.145 122.737 122.820 0.102 0.000 1.933 264 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 264 A C 2.294 179.948 177.584 0.117 0.000 1.175 264 A CA 1.781 53.870 52.037 0.087 0.000 0.628 264 A CB -0.336 18.699 19.000 0.059 0.000 0.814 264 A HN 0.170 nan 8.150 nan 0.000 0.444 265 K N -0.248 120.251 120.400 0.165 0.000 2.103 265 K HA 0.121 4.441 4.320 -0.000 0.000 0.204 265 K C 1.758 178.539 176.600 0.301 0.000 1.052 265 K CA 0.914 57.330 56.287 0.215 0.000 0.945 265 K CB -0.487 32.132 32.500 0.199 0.000 0.722 265 K HN 0.512 nan 8.250 nan 0.000 0.443 266 L N 0.067 121.487 121.223 0.329 0.000 2.056 266 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 266 L C 2.320 179.275 176.870 0.142 0.000 1.078 266 L CA 1.252 56.233 54.840 0.234 0.000 0.749 266 L CB -0.273 41.910 42.059 0.207 0.000 0.901 266 L HN 0.140 nan 8.230 nan 0.000 0.433 267 R N 0.074 120.650 120.500 0.126 0.000 2.081 267 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 267 R C 2.090 178.440 176.300 0.083 0.000 1.131 267 R CA 1.384 57.539 56.100 0.092 0.000 0.960 267 R CB -0.287 30.059 30.300 0.078 0.000 0.856 267 R HN 0.451 nan 8.270 nan 0.000 0.436 268 E N 0.276 120.530 120.200 0.090 0.000 2.204 268 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 268 E C 1.579 178.222 176.600 0.072 0.000 0.990 268 E CA 0.935 57.379 56.400 0.073 0.000 0.821 268 E CB 0.047 29.789 29.700 0.070 0.000 0.750 268 E HN 0.337 nan 8.360 nan 0.000 0.477 269 A N -0.110 122.763 122.820 0.088 0.000 2.238 269 A HA 0.244 4.564 4.320 -0.000 0.000 0.208 269 A C 1.659 179.273 177.584 0.050 0.000 1.177 269 A CA 0.853 52.929 52.037 0.065 0.000 0.804 269 A CB -0.085 18.952 19.000 0.061 0.000 0.823 269 A HN 0.333 nan 8.150 nan 0.000 0.482 270 G N -2.328 106.508 108.800 0.060 0.000 2.179 270 G HA2 0.150 4.110 3.960 -0.000 0.000 0.220 270 G HA3 0.150 4.110 3.960 -0.000 0.000 0.220 270 G C 0.375 175.319 174.900 0.075 0.000 0.990 270 G CA 0.079 45.216 45.100 0.061 0.000 0.646 270 G HN 1.492 nan 8.290 nan 0.000 0.517 271 A N 0.205 123.068 122.820 0.070 0.000 2.425 271 A HA 0.553 4.873 4.320 -0.000 0.000 0.249 271 A C 0.121 177.756 177.584 0.086 0.000 1.084 271 A CA 0.652 52.730 52.037 0.068 0.000 0.781 271 A CB 0.540 19.576 19.000 0.060 0.000 1.019 271 A HN 0.564 nan 8.150 nan 0.000 0.490 272 D N 1.934 122.387 120.400 0.088 0.000 2.359 272 D HA 0.483 5.123 4.640 -0.000 0.000 0.230 272 D C -0.635 175.717 176.300 0.086 0.000 1.118 272 D CA 0.051 54.120 54.000 0.115 0.000 0.844 272 D CB 0.121 41.044 40.800 0.205 0.000 1.059 272 D HN 0.348 nan 8.370 nan 0.000 0.493 273 I N 3.099 123.722 120.570 0.089 0.000 2.474 273 I HA 0.352 4.522 4.170 -0.000 0.000 0.294 273 I C -0.029 176.140 176.117 0.086 0.000 1.005 273 I CA -0.873 60.479 61.300 0.087 0.000 1.113 273 I CB 1.840 39.885 38.000 0.074 0.000 1.289 273 I HN 0.199 nan 8.210 nan 0.000 0.436 274 E N 3.816 124.086 120.200 0.116 0.000 2.288 274 E HA 0.556 4.906 4.350 -0.000 0.000 0.268 274 E C -0.848 175.712 176.600 -0.067 0.000 0.885 274 E CA -0.521 55.939 56.400 0.101 0.000 0.767 274 E CB 2.639 32.501 29.700 0.269 0.000 1.220 274 E HN 0.694 nan 8.360 nan 0.000 0.427 275 T N -1.474 112.873 114.554 -0.345 0.000 2.906 275 T HA 0.845 5.195 4.350 -0.000 0.000 0.295 275 T C 0.260 174.238 174.700 -1.204 0.000 1.061 275 T CA -0.724 60.925 62.100 -0.751 0.000 1.000 275 T CB 2.142 70.778 68.868 -0.386 0.000 1.103 275 T HN 0.395 nan 8.240 nan 0.000 0.486 276 G N 0.156 107.878 108.800 -1.797 0.000 3.217 276 G HA2 0.492 4.452 3.960 -0.000 0.000 0.213 276 G HA3 0.492 4.452 3.960 -0.000 0.000 0.213 276 G C 0.354 174.869 174.900 -0.642 0.000 1.294 276 G CA -0.314 43.993 45.100 -1.321 0.000 0.987 276 G HN 0.746 nan 8.290 nan 0.000 0.584 277 E N -0.338 119.686 120.200 -0.293 0.000 2.072 277 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 277 E C 0.888 177.425 176.600 -0.107 0.000 0.985 277 E CA 2.080 58.406 56.400 -0.124 0.000 0.801 277 E CB 0.098 29.795 29.700 -0.005 0.000 0.750 277 E HN 0.434 nan 8.360 nan 0.000 0.452 278 D N -0.822 119.548 120.400 -0.049 0.000 2.760 278 D HA 0.091 4.731 4.640 -0.000 0.000 0.314 278 D C -0.476 175.912 176.300 0.147 0.000 1.464 278 D CA -0.596 53.426 54.000 0.037 0.000 0.797 278 D CB -0.842 40.012 40.800 0.091 0.000 1.149 278 D HN 0.338 nan 8.370 nan 0.000 0.455 279 W N -0.148 121.155 121.300 0.005 0.000 3.137 279 W HA 0.676 5.336 4.660 0.000 0.000 0.324 279 W C -2.095 174.433 176.519 0.015 0.000 1.253 279 W CA -1.329 56.019 57.345 0.006 0.000 1.183 279 W CB 0.508 29.968 29.460 0.000 0.000 1.424 279 W HN -0.287 nan 8.180 nan 0.000 0.566 280 I N 3.068 123.845 120.570 0.344 0.000 2.534 280 I HA 0.260 4.430 4.170 -0.000 0.000 0.288 280 I C -0.199 176.137 176.117 0.365 0.000 1.077 280 I CA -0.678 60.748 61.300 0.210 0.000 1.051 280 I CB 2.494 40.551 38.000 0.094 0.000 1.234 280 I HN 0.446 nan 8.210 nan 0.000 0.425 281 S N 7.158 123.100 115.700 0.402 0.000 2.482 281 S HA 0.839 5.309 4.470 -0.000 0.000 0.303 281 S C -0.946 173.753 174.600 0.165 0.000 1.091 281 S CA -0.728 57.641 58.200 0.282 0.000 1.057 281 S CB 2.298 65.683 63.200 0.308 0.000 1.031 281 S HN 0.640 nan 8.310 nan 0.000 0.485 282 L N 2.271 123.552 121.223 0.098 0.000 2.410 282 L HA 0.659 4.999 4.340 -0.000 0.000 0.270 282 L C -1.907 174.956 176.870 -0.011 0.000 0.983 282 L CA -0.315 54.557 54.840 0.055 0.000 0.822 282 L CB 1.886 43.983 42.059 0.064 0.000 1.285 282 L HN 0.810 nan 8.230 nan 0.000 0.409 283 D N 5.015 125.370 120.400 -0.075 0.000 2.593 283 D HA 0.290 4.930 4.640 -0.000 0.000 0.251 283 D C 0.260 176.402 176.300 -0.262 0.000 1.140 283 D CA -0.427 53.429 54.000 -0.240 0.000 0.855 283 D CB 1.866 42.397 40.800 -0.449 0.000 1.267 283 D HN 0.497 nan 8.370 nan 0.000 0.532 284 M N 1.714 121.209 119.600 -0.176 0.000 2.502 284 M HA 0.022 4.502 4.480 -0.000 0.000 0.243 284 M C 0.202 176.508 176.300 0.010 0.000 1.130 284 M CA 0.198 55.463 55.300 -0.058 0.000 1.055 284 M CB -0.687 31.901 32.600 -0.020 0.000 1.457 284 M HN 0.494 nan 8.290 nan 0.000 0.488 285 H N 0.191 119.273 119.070 0.020 0.000 2.741 285 H HA -0.174 4.382 4.556 -0.000 0.000 0.305 285 H C 1.357 176.692 175.328 0.012 0.000 1.169 285 H CA 0.965 57.022 56.048 0.016 0.000 1.144 285 H CB -2.114 27.659 29.762 0.018 0.000 1.397 285 H HN 0.652 nan 8.280 nan 0.000 0.409 286 G N -0.712 108.129 108.800 0.069 0.000 2.196 286 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.268 286 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.268 286 G C 0.454 175.381 174.900 0.045 0.000 0.975 286 G CA 0.863 45.992 45.100 0.048 0.000 0.648 286 G HN 0.383 nan 8.290 nan 0.000 0.538 287 K N 0.247 120.682 120.400 0.059 0.000 2.154 287 K HA 0.393 4.713 4.320 -0.000 0.000 0.264 287 K C 0.768 177.384 176.600 0.027 0.000 1.008 287 K CA -0.780 55.535 56.287 0.046 0.000 0.937 287 K CB 0.973 33.510 32.500 0.061 0.000 1.002 287 K HN 0.448 nan 8.250 nan 0.000 0.469 288 R N 2.841 123.353 120.500 0.020 0.000 2.490 288 R HA 0.162 4.502 4.340 -0.000 0.000 0.280 288 R C -2.029 174.278 176.300 0.010 0.000 1.077 288 R CA -1.215 54.891 56.100 0.010 0.000 1.065 288 R CB 0.424 30.730 30.300 0.010 0.000 1.003 288 R HN 0.354 nan 8.270 nan 0.000 0.470 289 P HA 0.074 nan 4.420 nan 0.000 0.272 289 P C -1.301 176.003 177.300 0.007 0.000 1.223 289 P CA -0.096 63.004 63.100 -0.001 0.000 0.784 289 P CB 0.743 32.427 31.700 -0.027 0.000 0.923 290 K N 0.933 121.343 120.400 0.017 0.000 2.156 290 K HA 0.504 4.824 4.320 -0.000 0.000 0.271 290 K C 0.185 176.798 176.600 0.021 0.000 0.995 290 K CA -0.745 55.554 56.287 0.021 0.000 0.890 290 K CB 1.328 33.845 32.500 0.027 0.000 1.073 290 K HN 0.534 nan 8.250 nan 0.000 0.454 291 A N 2.277 125.106 122.820 0.016 0.000 2.540 291 A HA 0.296 4.616 4.320 -0.000 0.000 0.239 291 A C 0.419 178.015 177.584 0.020 0.000 1.061 291 A CA -0.307 51.737 52.037 0.012 0.000 0.758 291 A CB -0.134 18.867 19.000 0.001 0.000 0.991 291 A HN 0.555 nan 8.150 nan 0.000 0.502 292 V N 0.014 119.946 119.914 0.029 0.000 3.126 292 V HA 0.884 5.004 4.120 -0.000 0.000 0.314 292 V C -0.040 176.047 176.094 -0.012 0.000 1.138 292 V CA -0.641 61.676 62.300 0.028 0.000 1.034 292 V CB 1.719 33.592 31.823 0.083 0.000 1.075 292 V HN 0.761 nan 8.190 nan 0.000 0.442 293 T N 1.564 116.092 114.554 -0.042 0.000 2.797 293 T HA 0.741 5.091 4.350 -0.000 0.000 0.279 293 T C -0.618 173.986 174.700 -0.160 0.000 0.991 293 T CA -0.315 61.737 62.100 -0.080 0.000 0.979 293 T CB 1.415 70.248 68.868 -0.059 0.000 0.943 293 T HN 0.740 nan 8.240 nan 0.000 0.444 294 V N 3.321 123.101 119.914 -0.223 0.000 2.789 294 V HA 0.662 4.782 4.120 -0.000 0.000 0.311 294 V C -0.327 175.612 176.094 -0.258 0.000 1.073 294 V CA -0.978 61.071 62.300 -0.419 0.000 0.921 294 V CB 2.284 33.605 31.823 -0.836 0.000 1.009 294 V HN 0.757 nan 8.190 nan 0.000 0.426 295 R N 2.222 122.593 120.500 -0.216 0.000 2.507 295 R HA 0.462 4.802 4.340 -0.000 0.000 0.298 295 R C -0.202 176.111 176.300 0.021 0.000 1.087 295 R CA -0.283 55.779 56.100 -0.063 0.000 0.917 295 R CB 1.616 31.894 30.300 -0.037 0.000 1.173 295 R HN 0.943 nan 8.270 nan 0.000 0.472 296 T N 1.050 115.662 114.554 0.096 0.000 2.898 296 T HA 0.694 5.044 4.350 -0.000 0.000 0.301 296 T C 0.150 174.898 174.700 0.080 0.000 1.049 296 T CA -0.019 62.194 62.100 0.188 0.000 1.095 296 T CB 1.572 70.559 68.868 0.199 0.000 0.976 296 T HN 0.691 nan 8.240 nan 0.000 0.539 297 A N 2.776 125.634 122.820 0.064 0.000 2.544 297 A HA 0.695 5.015 4.320 -0.000 0.000 0.291 297 A C -3.178 174.412 177.584 0.010 0.000 1.055 297 A CA -1.639 50.405 52.037 0.012 0.000 0.651 297 A CB 0.088 19.092 19.000 0.007 0.000 1.296 297 A HN 0.662 nan 8.150 nan 0.000 0.431 298 P HA 0.214 nan 4.420 nan 0.000 0.266 298 P C -0.265 177.059 177.300 0.041 0.000 1.193 298 P CA 0.491 63.603 63.100 0.020 0.000 0.770 298 P CB 0.130 31.835 31.700 0.008 0.000 0.836 299 H N 4.782 123.841 119.070 -0.018 0.000 3.016 299 H HA -0.008 4.548 4.556 -0.000 0.000 0.345 299 H C -1.185 174.136 175.328 -0.012 0.000 1.066 299 H CA -0.565 55.471 56.048 -0.019 0.000 1.390 299 H CB 0.271 30.022 29.762 -0.018 0.000 1.344 299 H HN 0.333 nan 8.280 nan 0.000 0.605 300 P HA 0.111 nan 4.420 nan 0.000 0.255 300 P C -0.375 176.705 177.300 -0.366 0.000 1.301 300 P CA 0.254 62.761 63.100 -0.987 0.000 0.817 300 P CB -0.105 31.165 31.700 -0.718 0.000 1.259 301 A N 0.416 123.136 122.820 -0.168 0.000 2.292 301 A HA 0.245 4.565 4.320 -0.000 0.000 0.265 301 A C -0.180 177.407 177.584 0.004 0.000 1.133 301 A CA -0.547 51.462 52.037 -0.047 0.000 0.807 301 A CB -0.558 18.439 19.000 -0.005 0.000 1.102 301 A HN 0.162 nan 8.150 nan 0.000 0.502 302 F N 1.754 121.650 119.950 -0.089 0.000 2.602 302 F HA 0.247 4.774 4.527 -0.000 0.000 0.385 302 F C -1.631 174.134 175.800 -0.057 0.000 1.063 302 F CA -1.255 56.680 58.000 -0.109 0.000 1.233 302 F CB 0.548 39.448 39.000 -0.167 0.000 1.067 302 F HN 0.266 nan 8.300 nan 0.000 0.564 303 P HA 0.007 nan 4.420 nan 0.000 0.280 303 P C 0.217 177.444 177.300 -0.121 0.000 1.244 303 P CA -0.183 62.783 63.100 -0.224 0.000 0.784 303 P CB 1.568 33.133 31.700 -0.225 0.000 0.913 304 T N 0.914 115.503 114.554 0.057 0.000 2.929 304 T HA -0.107 4.243 4.350 -0.000 0.000 0.271 304 T C 0.902 175.690 174.700 0.147 0.000 1.085 304 T CA 1.466 63.663 62.100 0.162 0.000 1.125 304 T CB -0.660 68.328 68.868 0.201 0.000 0.874 304 T HN 0.307 nan 8.240 nan 0.000 0.494 305 D N 0.421 120.863 120.400 0.070 0.000 2.363 305 D HA 0.068 4.708 4.640 -0.000 0.000 0.226 305 D C 1.253 177.577 176.300 0.040 0.000 1.020 305 D CA 0.463 54.495 54.000 0.054 0.000 0.892 305 D CB 0.144 40.961 40.800 0.029 0.000 0.900 305 D HN 0.416 nan 8.370 nan 0.000 0.531 306 M N -0.103 119.501 119.600 0.006 0.000 2.313 306 M HA 0.063 4.543 4.480 -0.000 0.000 0.273 306 M C 1.615 178.147 176.300 0.386 0.000 1.049 306 M CA 0.062 55.419 55.300 0.095 0.000 1.004 306 M CB 0.569 33.059 32.600 -0.183 0.000 1.461 306 M HN -0.037 nan 8.290 nan 0.000 0.514 307 Q N 1.084 121.107 119.800 0.371 0.000 2.050 307 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 307 Q C 1.766 177.931 176.000 0.275 0.000 0.980 307 Q CA 2.162 58.230 55.803 0.442 0.000 0.840 307 Q CB 0.122 29.085 28.738 0.374 0.000 0.898 307 Q HN 0.464 nan 8.270 nan 0.000 0.424 308 A N 0.630 123.461 122.820 0.018 0.000 1.902 308 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 308 A C 2.012 179.523 177.584 -0.121 0.000 1.181 308 A CA 1.821 53.588 52.037 -0.449 0.000 0.623 308 A CB -0.581 18.006 19.000 -0.688 0.000 0.818 308 A HN 0.480 nan 8.150 nan 0.000 0.443 309 Q N -1.187 118.636 119.800 0.038 0.000 2.096 309 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 309 Q C 1.656 177.707 176.000 0.085 0.000 0.982 309 Q CA 1.800 57.639 55.803 0.059 0.000 0.850 309 Q CB -0.462 28.341 28.738 0.107 0.000 0.901 309 Q HN 0.691 nan 8.270 nan 0.000 0.422 310 F N -0.102 119.919 119.950 0.118 0.000 2.407 310 F HA -0.081 4.446 4.527 0.000 0.000 0.299 310 F C 2.147 177.977 175.800 0.051 0.000 1.097 310 F CA 1.050 59.115 58.000 0.108 0.000 1.422 310 F CB -0.296 38.799 39.000 0.159 0.000 1.067 310 F HN 0.016 nan 8.300 nan 0.000 0.539 311 T N 0.504 115.193 114.554 0.225 0.000 2.746 311 T HA -0.189 4.161 4.350 -0.000 0.000 0.267 311 T C 2.027 176.781 174.700 0.089 0.000 1.039 311 T CA 1.307 63.508 62.100 0.168 0.000 1.142 311 T CB -0.502 68.570 68.868 0.341 0.000 0.866 311 T HN 0.137 nan 8.240 nan 0.000 0.444 312 L N 1.322 122.585 121.223 0.066 0.000 2.017 312 L HA 0.071 4.411 4.340 -0.000 0.000 0.208 312 L C 2.228 179.076 176.870 -0.036 0.000 1.073 312 L CA 1.526 56.372 54.840 0.010 0.000 0.745 312 L CB -0.949 41.100 42.059 -0.017 0.000 0.894 312 L HN 0.263 nan 8.230 nan 0.000 0.432 313 L N -0.355 120.815 121.223 -0.087 0.000 2.043 313 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 313 L C 2.205 179.035 176.870 -0.066 0.000 1.075 313 L CA 1.826 56.587 54.840 -0.132 0.000 0.752 313 L CB -0.541 41.334 42.059 -0.306 0.000 0.891 313 L HN 0.409 nan 8.230 nan 0.000 0.432 314 N N -0.100 118.583 118.700 -0.027 0.000 2.244 314 N HA -0.124 4.616 4.740 -0.000 0.000 0.183 314 N C 1.792 177.290 175.510 -0.021 0.000 1.016 314 N CA 1.235 54.276 53.050 -0.014 0.000 0.866 314 N CB -0.283 38.201 38.487 -0.006 0.000 0.980 314 N HN 0.392 nan 8.380 nan 0.000 0.430 315 L N 0.467 121.678 121.223 -0.021 0.000 2.465 315 L HA -0.025 4.315 4.340 -0.000 0.000 0.224 315 L C 1.392 178.246 176.870 -0.027 0.000 1.145 315 L CA 0.513 55.339 54.840 -0.024 0.000 0.834 315 L CB 0.013 42.056 42.059 -0.026 0.000 0.944 315 L HN 0.064 nan 8.230 nan 0.000 0.451 316 V N -4.945 114.953 119.914 -0.027 0.000 3.253 316 V HA 0.525 4.645 4.120 -0.000 0.000 0.320 316 V C 0.719 176.804 176.094 -0.016 0.000 1.442 316 V CA -0.240 62.045 62.300 -0.025 0.000 1.097 316 V CB -0.241 31.563 31.823 -0.033 0.000 1.008 316 V HN 0.093 nan 8.190 nan 0.000 0.463 317 A N 0.357 123.170 122.820 -0.011 0.000 2.252 317 A HA 0.718 5.038 4.320 -0.000 0.000 0.305 317 A C -0.012 177.579 177.584 0.011 0.000 1.097 317 A CA -0.625 51.410 52.037 -0.004 0.000 0.849 317 A CB 0.530 19.525 19.000 -0.007 0.000 1.142 317 A HN 0.540 nan 8.150 nan 0.000 0.499 318 E N -0.170 120.039 120.200 0.015 0.000 2.167 318 E HA 0.482 4.832 4.350 -0.000 0.000 0.284 318 E C 0.355 176.970 176.600 0.024 0.000 1.016 318 E CA 0.664 57.077 56.400 0.023 0.000 0.817 318 E CB 0.986 30.699 29.700 0.021 0.000 1.080 318 E HN 1.259 nan 8.360 nan 0.000 0.397 319 G N 2.271 111.091 108.800 0.035 0.000 2.422 319 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.607 319 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.607 319 G C -0.630 174.288 174.900 0.031 0.000 1.270 319 G CA -1.014 44.107 45.100 0.034 0.000 0.992 319 G HN 0.393 nan 8.290 nan 0.000 0.499 320 T N 1.054 115.617 114.554 0.016 0.000 2.743 320 T HA 0.642 4.992 4.350 -0.000 0.000 0.292 320 T C 0.658 175.321 174.700 -0.063 0.000 0.972 320 T CA 0.515 62.593 62.100 -0.037 0.000 0.967 320 T CB 1.311 70.172 68.868 -0.012 0.000 0.926 320 T HN 1.448 nan 8.240 nan 0.000 0.459 321 G N 1.641 110.383 108.800 -0.097 0.000 2.388 321 G HA2 0.606 4.566 3.960 -0.000 0.000 0.330 321 G HA3 0.606 4.566 3.960 -0.000 0.000 0.330 321 G C -1.048 173.789 174.900 -0.105 0.000 1.142 321 G CA -0.527 44.529 45.100 -0.074 0.000 0.908 321 G HN 0.641 nan 8.290 nan 0.000 0.473 322 V N 3.550 123.414 119.914 -0.082 0.000 2.444 322 V HA 0.398 4.518 4.120 -0.000 0.000 0.294 322 V C -0.495 175.556 176.094 -0.073 0.000 1.022 322 V CA -0.787 61.462 62.300 -0.084 0.000 0.850 322 V CB 1.491 33.276 31.823 -0.065 0.000 0.992 322 V HN 0.563 nan 8.190 nan 0.000 0.426 323 I N 3.678 124.209 120.570 -0.065 0.000 2.362 323 I HA 0.454 4.624 4.170 -0.000 0.000 0.289 323 I C 0.091 176.255 176.117 0.078 0.000 0.994 323 I CA -0.034 61.255 61.300 -0.019 0.000 1.158 323 I CB 1.794 39.803 38.000 0.016 0.000 1.315 323 I HN 0.511 nan 8.210 nan 0.000 0.451 324 T N 4.882 119.485 114.554 0.081 0.000 2.786 324 T HA 0.260 4.610 4.350 -0.000 0.000 0.283 324 T C -0.152 174.634 174.700 0.145 0.000 0.992 324 T CA -0.467 61.714 62.100 0.136 0.000 0.954 324 T CB 1.567 70.469 68.868 0.056 0.000 0.934 324 T HN 0.430 nan 8.240 nan 0.000 0.440 325 E N 2.183 122.493 120.200 0.183 0.000 2.081 325 E HA 0.350 4.700 4.350 -0.000 0.000 0.276 325 E C 0.948 177.539 176.600 -0.016 0.000 0.950 325 E CA -0.537 55.900 56.400 0.062 0.000 0.776 325 E CB 0.702 30.337 29.700 -0.108 0.000 1.094 325 E HN 0.645 nan 8.360 nan 0.000 0.402 326 T N 2.237 116.780 114.554 -0.019 0.000 3.054 326 T HA 0.173 4.523 4.350 -0.000 0.000 0.255 326 T C 1.160 175.790 174.700 -0.117 0.000 1.035 326 T CA -0.107 61.960 62.100 -0.054 0.000 0.941 326 T CB -0.020 68.826 68.868 -0.036 0.000 1.026 326 T HN 0.376 nan 8.240 nan 0.000 0.533 327 I N -0.011 120.459 120.570 -0.167 0.000 2.499 327 I HA 0.379 4.549 4.170 -0.000 0.000 0.243 327 I C 0.379 176.166 176.117 -0.550 0.000 1.085 327 I CA 0.150 61.215 61.300 -0.391 0.000 1.422 327 I CB -0.753 36.952 38.000 -0.492 0.000 1.165 327 I HN 0.209 nan 8.210 nan 0.000 0.440 328 F N 2.141 122.051 119.950 -0.067 0.000 2.469 328 F HA 0.216 4.743 4.527 -0.000 0.000 0.332 328 F C 1.672 177.389 175.800 -0.138 0.000 1.103 328 F CA -0.725 57.223 58.000 -0.086 0.000 0.979 328 F CB 1.267 40.222 39.000 -0.076 0.000 1.137 328 F HN 0.052 nan 8.300 nan 0.000 0.463 329 E N 1.042 121.287 120.200 0.075 0.000 2.358 329 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 329 E C -0.085 176.470 176.600 -0.075 0.000 1.010 329 E CA 0.890 57.273 56.400 -0.030 0.000 0.856 329 E CB -0.048 29.646 29.700 -0.010 0.000 0.795 329 E HN 0.683 nan 8.360 nan 0.000 0.504 330 N N 0.537 119.211 118.700 -0.043 0.000 2.696 330 N HA 0.117 4.857 4.740 -0.000 0.000 0.308 330 N C -0.495 174.971 175.510 -0.074 0.000 1.915 330 N CA -0.177 52.833 53.050 -0.066 0.000 0.906 330 N CB 0.408 38.877 38.487 -0.030 0.000 1.284 330 N HN -0.042 nan 8.380 nan 0.000 0.488 331 R N 0.889 121.293 120.500 -0.160 0.000 2.865 331 R HA 0.241 4.581 4.340 -0.000 0.000 0.370 331 R C -0.472 175.915 176.300 0.146 0.000 1.168 331 R CA -0.138 55.941 56.100 -0.036 0.000 1.058 331 R CB -0.025 30.284 30.300 0.016 0.000 1.419 331 R HN 0.301 nan 8.270 nan 0.000 0.580 332 F N -0.380 119.614 119.950 0.073 0.000 2.775 332 F HA 0.148 4.675 4.527 0.000 0.000 0.313 332 F C 1.340 177.008 175.800 -0.220 0.000 1.121 332 F CA -0.456 57.484 58.000 -0.099 0.000 1.206 332 F CB 0.695 39.641 39.000 -0.091 0.000 1.052 332 F HN 0.083 nan 8.300 nan 0.000 0.524 333 M N 0.254 119.931 119.600 0.129 0.000 2.435 333 M HA -0.200 4.280 4.480 -0.000 0.000 0.262 333 M C 2.301 178.616 176.300 0.025 0.000 1.065 333 M CA 1.362 56.694 55.300 0.054 0.000 1.076 333 M CB -0.601 32.026 32.600 0.045 0.000 1.403 333 M HN 0.312 nan 8.290 nan 0.000 0.454 334 H N -1.206 117.896 119.070 0.053 0.000 2.502 334 H HA 0.077 4.633 4.556 -0.000 0.000 0.283 334 H C 1.995 177.331 175.328 0.014 0.000 1.015 334 H CA 0.907 56.967 56.048 0.021 0.000 1.298 334 H CB -1.073 28.705 29.762 0.027 0.000 1.411 334 H HN 0.238 nan 8.280 nan 0.000 0.556 335 V N 2.447 122.070 119.914 -0.484 0.000 2.255 335 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 335 V C -0.267 175.754 176.094 -0.123 0.000 1.051 335 V CA 2.202 64.320 62.300 -0.303 0.000 1.018 335 V CB -1.465 30.140 31.823 -0.363 0.000 0.641 335 V HN 0.403 nan 8.190 nan 0.000 0.445 336 P HA -0.123 nan 4.420 nan 0.000 0.216 336 P C 1.567 178.855 177.300 -0.021 0.000 1.150 336 P CA 1.214 64.291 63.100 -0.038 0.000 0.837 336 P CB -0.022 31.665 31.700 -0.022 0.000 0.786 337 E N -0.491 119.701 120.200 -0.014 0.000 2.072 337 E HA -0.059 4.291 4.350 -0.000 0.000 0.190 337 E C 2.127 178.727 176.600 -0.000 0.000 0.982 337 E CA 0.895 57.296 56.400 0.002 0.000 0.803 337 E CB -0.898 28.812 29.700 0.016 0.000 0.755 337 E HN 0.322 nan 8.360 nan 0.000 0.453 338 L N 0.513 121.735 121.223 -0.001 0.000 2.141 338 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 338 L C 2.470 179.323 176.870 -0.029 0.000 1.094 338 L CA 0.588 55.423 54.840 -0.007 0.000 0.763 338 L CB -0.315 41.749 42.059 0.008 0.000 0.908 338 L HN 0.072 nan 8.230 nan 0.000 0.437 339 I N -0.425 120.127 120.570 -0.029 0.000 2.361 339 I HA -0.270 3.900 4.170 -0.000 0.000 0.251 339 I C 2.580 178.686 176.117 -0.018 0.000 1.133 339 I CA 1.127 62.413 61.300 -0.023 0.000 1.413 339 I CB -0.243 37.754 38.000 -0.006 0.000 1.073 339 I HN 0.209 nan 8.210 nan 0.000 0.424 340 R N 0.270 120.762 120.500 -0.012 0.000 2.189 340 R HA -0.054 4.286 4.340 -0.000 0.000 0.223 340 R C 1.713 178.005 176.300 -0.014 0.000 1.092 340 R CA 1.014 57.110 56.100 -0.006 0.000 0.989 340 R CB -0.110 30.189 30.300 -0.001 0.000 0.876 340 R HN 0.374 nan 8.270 nan 0.000 0.457 341 M N -0.711 118.875 119.600 -0.024 0.000 2.505 341 M HA 0.184 4.664 4.480 -0.000 0.000 0.230 341 M C 0.599 176.864 176.300 -0.059 0.000 1.153 341 M CA 0.320 55.601 55.300 -0.031 0.000 0.997 341 M CB 1.286 33.870 32.600 -0.026 0.000 1.606 341 M HN 0.371 nan 8.290 nan 0.000 0.481 342 G N 0.622 109.376 108.800 -0.076 0.000 2.157 342 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.239 342 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.239 342 G C 0.155 174.864 174.900 -0.319 0.000 0.982 342 G CA -0.029 44.986 45.100 -0.142 0.000 0.650 342 G HN 0.659 nan 8.290 nan 0.000 0.527 343 A N 0.326 123.009 122.820 -0.228 0.000 2.332 343 A HA 0.667 4.987 4.320 -0.000 0.000 0.258 343 A C 0.047 177.481 177.584 -0.250 0.000 1.087 343 A CA -0.139 51.747 52.037 -0.253 0.000 0.802 343 A CB 0.316 19.253 19.000 -0.104 0.000 1.042 343 A HN 0.515 nan 8.150 nan 0.000 0.489 344 H N 0.105 119.193 119.070 0.031 0.000 2.708 344 H HA 0.677 5.233 4.556 -0.000 0.000 0.320 344 H C -0.215 175.166 175.328 0.088 0.000 0.991 344 H CA 0.167 56.254 56.048 0.066 0.000 1.243 344 H CB 1.125 30.945 29.762 0.096 0.000 1.446 344 H HN 0.915 nan 8.280 nan 0.000 0.502 345 A N 2.765 125.685 122.820 0.166 0.000 2.594 345 A HA 0.650 4.970 4.320 -0.000 0.000 0.295 345 A C -1.108 176.493 177.584 0.029 0.000 1.071 345 A CA -0.829 51.239 52.037 0.052 0.000 0.685 345 A CB 1.907 20.868 19.000 -0.064 0.000 1.285 345 A HN 0.518 nan 8.150 nan 0.000 0.405 346 E N 0.373 120.565 120.200 -0.013 0.000 2.248 346 E HA 0.620 4.970 4.350 -0.000 0.000 0.267 346 E C -1.185 175.369 176.600 -0.076 0.000 0.877 346 E CA -0.237 56.154 56.400 -0.015 0.000 0.759 346 E CB 2.177 31.896 29.700 0.033 0.000 1.182 346 E HN 0.530 nan 8.360 nan 0.000 0.418 347 I N 2.175 122.708 120.570 -0.062 0.000 2.321 347 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 347 I C -0.326 175.798 176.117 0.013 0.000 0.998 347 I CA -0.619 60.646 61.300 -0.059 0.000 1.227 347 I CB 1.278 39.269 38.000 -0.014 0.000 1.368 347 I HN 0.352 nan 8.210 nan 0.000 0.466 348 E N 5.111 125.330 120.200 0.031 0.000 2.207 348 E HA 0.366 4.716 4.350 -0.000 0.000 0.250 348 E C 0.063 176.714 176.600 0.085 0.000 0.890 348 E CA 0.094 56.522 56.400 0.046 0.000 0.749 348 E CB 1.166 30.882 29.700 0.026 0.000 1.193 348 E HN 0.653 nan 8.360 nan 0.000 0.423 349 S N 3.802 119.554 115.700 0.087 0.000 4.112 349 S HA -0.322 4.147 4.470 -0.000 0.000 0.602 349 S C 0.793 175.489 174.600 0.160 0.000 1.939 349 S CA 1.837 60.092 58.200 0.091 0.000 4.230 349 S CB -1.093 62.142 63.200 0.060 0.000 0.245 349 S HN 0.765 nan 8.310 nan 0.000 0.530 350 N N 1.763 120.546 118.700 0.139 0.000 2.322 350 N HA 0.224 4.964 4.740 -0.000 0.000 0.216 350 N C -0.354 175.380 175.510 0.374 0.000 1.144 350 N CA 0.438 53.598 53.050 0.184 0.000 0.830 350 N CB -0.072 38.433 38.487 0.030 0.000 1.034 350 N HN 0.430 nan 8.380 nan 0.000 0.484 351 T N 0.165 114.916 114.554 0.327 0.000 2.876 351 T HA 0.430 4.780 4.350 -0.000 0.000 0.289 351 T C -0.679 174.018 174.700 -0.006 0.000 1.014 351 T CA -0.495 61.722 62.100 0.195 0.000 0.986 351 T CB 2.533 71.448 68.868 0.077 0.000 1.021 351 T HN -0.130 nan 8.240 nan 0.000 0.458 352 V N 4.204 123.990 119.914 -0.213 0.000 2.417 352 V HA 0.490 4.610 4.120 -0.000 0.000 0.291 352 V C -0.226 175.736 176.094 -0.220 0.000 1.024 352 V CA -0.801 61.272 62.300 -0.377 0.000 0.861 352 V CB 1.397 32.808 31.823 -0.686 0.000 0.985 352 V HN 0.775 nan 8.190 nan 0.000 0.436 353 I N 4.353 124.810 120.570 -0.189 0.000 2.304 353 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 353 I C -0.195 175.726 176.117 -0.326 0.000 1.018 353 I CA -0.055 61.114 61.300 -0.218 0.000 1.260 353 I CB 0.954 38.861 38.000 -0.155 0.000 1.390 353 I HN 0.537 nan 8.210 nan 0.000 0.475 354 C N 5.397 124.485 119.300 -0.353 0.000 2.358 354 C HA 0.443 4.903 4.460 -0.000 0.000 0.342 354 C C 0.077 174.790 174.990 -0.462 0.000 1.234 354 C CA -0.608 58.224 59.018 -0.311 0.000 1.969 354 C CB 0.320 27.970 27.740 -0.150 0.000 2.346 354 C HN 0.618 nan 8.230 nan 0.000 0.525 355 H N 1.328 120.418 119.070 0.033 0.000 2.791 355 H HA 0.274 4.830 4.556 -0.000 0.000 0.272 355 H C 0.587 175.957 175.328 0.069 0.000 1.188 355 H CA -0.017 56.064 56.048 0.054 0.000 1.436 355 H CB 0.911 30.717 29.762 0.074 0.000 1.467 355 H HN 0.962 nan 8.280 nan 0.000 0.500 356 G N 1.917 110.776 108.800 0.098 0.000 2.321 356 G HA2 0.238 4.198 3.960 -0.000 0.000 0.237 356 G HA3 0.238 4.198 3.960 -0.000 0.000 0.237 356 G C 0.544 175.488 174.900 0.074 0.000 1.282 356 G CA -0.057 45.078 45.100 0.058 0.000 0.886 356 G HN 0.414 nan 8.290 nan 0.000 0.528 357 V N 0.358 120.287 119.914 0.025 0.000 2.919 357 V HA 0.636 4.756 4.120 -0.000 0.000 0.316 357 V C 1.158 177.252 176.094 0.000 0.000 1.077 357 V CA -0.517 61.794 62.300 0.017 0.000 0.977 357 V CB 1.941 33.730 31.823 -0.057 0.000 1.039 357 V HN 0.724 nan 8.190 nan 0.000 0.441 358 E N 1.824 122.028 120.200 0.007 0.000 2.012 358 E HA -0.078 4.272 4.350 -0.000 0.000 0.197 358 E C 0.411 177.005 176.600 -0.010 0.000 1.007 358 E CA 1.836 58.237 56.400 0.002 0.000 0.816 358 E CB 0.130 29.834 29.700 0.008 0.000 0.762 358 E HN 0.709 nan 8.360 nan 0.000 0.451 359 K N -0.323 120.067 120.400 -0.017 0.000 2.469 359 K HA 0.371 4.691 4.320 -0.000 0.000 0.254 359 K C -0.625 175.952 176.600 -0.038 0.000 0.939 359 K CA -0.660 55.613 56.287 -0.023 0.000 0.812 359 K CB 1.757 34.248 32.500 -0.015 0.000 1.301 359 K HN 0.098 nan 8.250 nan 0.000 0.433 360 L N 0.684 121.884 121.223 -0.039 0.000 2.416 360 L HA 0.423 4.763 4.340 -0.000 0.000 0.262 360 L C 0.246 177.096 176.870 -0.033 0.000 1.093 360 L CA -0.607 54.205 54.840 -0.047 0.000 0.801 360 L CB 1.280 43.313 42.059 -0.044 0.000 1.191 360 L HN 0.478 nan 8.230 nan 0.000 0.459 361 S N -0.327 115.354 115.700 -0.032 0.000 2.472 361 S HA 0.479 4.949 4.470 -0.000 0.000 0.303 361 S C 0.126 174.718 174.600 -0.014 0.000 1.099 361 S CA -0.701 57.487 58.200 -0.020 0.000 1.077 361 S CB 1.705 64.895 63.200 -0.017 0.000 1.031 361 S HN 0.764 nan 8.310 nan 0.000 0.487 362 G N 1.354 110.149 108.800 -0.008 0.000 2.432 362 G HA2 0.510 4.470 3.960 -0.000 0.000 0.239 362 G HA3 0.510 4.470 3.960 -0.000 0.000 0.239 362 G C -0.208 174.692 174.900 -0.000 0.000 1.291 362 G CA 0.146 45.244 45.100 -0.003 0.000 0.863 362 G HN 1.004 nan 8.290 nan 0.000 0.560 363 A N 1.881 124.703 122.820 0.004 0.000 2.564 363 A HA 0.685 5.005 4.320 -0.000 0.000 0.291 363 A C -0.670 176.921 177.584 0.012 0.000 1.102 363 A CA -0.794 51.247 52.037 0.006 0.000 0.660 363 A CB 0.875 19.876 19.000 0.002 0.000 1.283 363 A HN 0.661 nan 8.150 nan 0.000 0.430 364 Q N 0.230 120.038 119.800 0.013 0.000 2.274 364 Q HA 0.535 4.875 4.340 -0.000 0.000 0.256 364 Q C -0.247 175.762 176.000 0.015 0.000 0.927 364 Q CA -0.571 55.243 55.803 0.018 0.000 0.939 364 Q CB 1.659 30.408 28.738 0.018 0.000 1.201 364 Q HN 0.985 nan 8.270 nan 0.000 0.426 365 V N -0.586 119.339 119.914 0.017 0.000 3.130 365 V HA 0.690 4.810 4.120 -0.000 0.000 0.310 365 V C -0.889 175.212 176.094 0.012 0.000 1.158 365 V CA -1.262 61.046 62.300 0.013 0.000 1.029 365 V CB 2.297 34.126 31.823 0.011 0.000 1.057 365 V HN 0.843 nan 8.190 nan 0.000 0.436 366 M N 2.501 122.106 119.600 0.008 0.000 2.253 366 M HA 0.808 5.288 4.480 -0.000 0.000 0.314 366 M C -0.116 176.177 176.300 -0.013 0.000 1.019 366 M CA -0.662 54.641 55.300 0.006 0.000 0.932 366 M CB 1.612 34.223 32.600 0.018 0.000 1.606 366 M HN 1.224 nan 8.290 nan 0.000 0.430 367 A N 2.847 125.651 122.820 -0.028 0.000 2.450 367 A HA 0.432 4.752 4.320 -0.000 0.000 0.255 367 A C 0.843 178.342 177.584 -0.142 0.000 1.096 367 A CA 0.068 52.056 52.037 -0.081 0.000 0.778 367 A CB -0.063 18.887 19.000 -0.084 0.000 1.031 367 A HN 0.962 nan 8.150 nan 0.000 0.494 368 T N -1.093 113.301 114.554 -0.268 0.000 2.990 368 T HA 0.322 4.672 4.350 -0.000 0.000 0.249 368 T C 0.124 174.389 174.700 -0.726 0.000 1.039 368 T CA 0.721 62.615 62.100 -0.344 0.000 1.036 368 T CB -0.401 68.383 68.868 -0.141 0.000 0.994 368 T HN 0.838 nan 8.240 nan 0.000 0.489 369 D N -0.867 119.109 120.400 -0.706 0.000 2.639 369 D HA 0.411 5.051 4.640 -0.000 0.000 0.271 369 D C 0.698 176.790 176.300 -0.346 0.000 1.254 369 D CA -0.952 52.694 54.000 -0.591 0.000 0.810 369 D CB 0.755 41.383 40.800 -0.286 0.000 1.351 369 D HN -0.112 nan 8.370 nan 0.000 0.427 370 L N 0.584 121.714 121.223 -0.155 0.000 1.951 370 L HA -0.144 4.196 4.340 -0.000 0.000 0.222 370 L C 2.002 178.886 176.870 0.023 0.000 1.078 370 L CA 1.958 56.793 54.840 -0.007 0.000 0.778 370 L CB -0.703 41.379 42.059 0.038 0.000 0.893 370 L HN 0.496 nan 8.230 nan 0.000 0.436 371 R N -0.076 120.427 120.500 0.006 0.000 2.115 371 R HA 0.026 4.366 4.340 -0.000 0.000 0.230 371 R C 2.158 178.412 176.300 -0.077 0.000 1.111 371 R CA 1.216 57.324 56.100 0.014 0.000 0.976 371 R CB -1.508 28.796 30.300 0.007 0.000 0.870 371 R HN 0.584 nan 8.270 nan 0.000 0.445 372 A N 1.312 124.069 122.820 -0.106 0.000 1.898 372 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 372 A C 2.364 179.892 177.584 -0.094 0.000 1.181 372 A CA 1.850 53.827 52.037 -0.101 0.000 0.620 372 A CB -0.566 18.414 19.000 -0.034 0.000 0.819 372 A HN 0.445 nan 8.150 nan 0.000 0.442 373 S N 0.375 116.003 115.700 -0.121 0.000 2.368 373 S HA -0.021 4.449 4.470 -0.000 0.000 0.225 373 S C 2.094 176.611 174.600 -0.139 0.000 1.030 373 S CA 1.460 59.585 58.200 -0.125 0.000 0.999 373 S CB -0.700 62.419 63.200 -0.135 0.000 0.844 373 S HN 0.909 nan 8.310 nan 0.000 0.459 374 A N 1.604 124.315 122.820 -0.182 0.000 1.930 374 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 374 A C 2.464 179.930 177.584 -0.197 0.000 1.175 374 A CA 1.772 53.628 52.037 -0.301 0.000 0.627 374 A CB -1.168 17.549 19.000 -0.471 0.000 0.815 374 A HN 0.578 nan 8.150 nan 0.000 0.443 375 S N 0.030 115.648 115.700 -0.137 0.000 2.368 375 S HA -0.069 4.401 4.470 -0.000 0.000 0.225 375 S C 1.803 176.366 174.600 -0.061 0.000 1.030 375 S CA 1.367 59.508 58.200 -0.100 0.000 0.999 375 S CB -0.427 62.710 63.200 -0.105 0.000 0.844 375 S HN 0.520 nan 8.310 nan 0.000 0.459 376 L N 1.014 122.210 121.223 -0.045 0.000 2.093 376 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 376 L C 2.330 179.194 176.870 -0.011 0.000 1.085 376 L CA 0.826 55.656 54.840 -0.017 0.000 0.755 376 L CB -0.750 41.302 42.059 -0.010 0.000 0.904 376 L HN 0.211 nan 8.230 nan 0.000 0.435 377 V N 0.285 120.189 119.914 -0.017 0.000 2.295 377 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 377 V C 2.455 178.538 176.094 -0.019 0.000 1.049 377 V CA 1.578 63.894 62.300 0.026 0.000 1.024 377 V CB -0.346 31.520 31.823 0.072 0.000 0.648 377 V HN 0.341 nan 8.190 nan 0.000 0.447 378 L N 0.084 121.268 121.223 -0.064 0.000 2.042 378 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 378 L C 2.760 179.603 176.870 -0.044 0.000 1.076 378 L CA 1.643 56.442 54.840 -0.069 0.000 0.749 378 L CB -0.908 41.090 42.059 -0.101 0.000 0.893 378 L HN 0.387 nan 8.230 nan 0.000 0.432 379 A N 0.480 123.278 122.820 -0.036 0.000 1.908 379 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 379 A C 2.410 179.983 177.584 -0.018 0.000 1.181 379 A CA 1.812 53.833 52.037 -0.025 0.000 0.627 379 A CB -1.225 17.766 19.000 -0.016 0.000 0.818 379 A HN 0.458 nan 8.150 nan 0.000 0.445 380 G N -1.016 107.779 108.800 -0.009 0.000 2.422 380 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 380 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 380 G C 1.525 176.418 174.900 -0.011 0.000 1.146 380 G CA 1.285 46.383 45.100 -0.003 0.000 0.769 380 G HN 0.536 nan 8.290 nan 0.000 0.547 381 C N 0.745 120.035 119.300 -0.018 0.000 2.422 381 C HA 0.041 4.501 4.460 -0.000 0.000 0.279 381 C C 2.635 177.614 174.990 -0.018 0.000 1.305 381 C CA 0.872 59.878 59.018 -0.021 0.000 1.757 381 C CB -0.930 26.796 27.740 -0.022 0.000 1.962 381 C HN 0.664 nan 8.230 nan 0.000 0.499 382 I N -1.206 119.351 120.570 -0.020 0.000 3.941 382 I HA 0.370 4.540 4.170 -0.000 0.000 0.321 382 I C 1.145 177.251 176.117 -0.018 0.000 1.284 382 I CA -0.080 61.208 61.300 -0.019 0.000 1.226 382 I CB -0.426 37.559 38.000 -0.024 0.000 1.045 382 I HN 0.052 nan 8.210 nan 0.000 0.420 383 A N 1.748 124.558 122.820 -0.018 0.000 2.346 383 A HA 0.247 4.567 4.320 -0.000 0.000 0.252 383 A C -0.069 177.507 177.584 -0.013 0.000 1.089 383 A CA -0.091 51.935 52.037 -0.017 0.000 0.797 383 A CB 0.193 19.184 19.000 -0.016 0.000 1.047 383 A HN 0.407 nan 8.150 nan 0.000 0.494 384 E N -0.033 120.160 120.200 -0.013 0.000 2.105 384 E HA 0.481 4.831 4.350 -0.000 0.000 0.285 384 E C 0.700 177.296 176.600 -0.007 0.000 1.055 384 E CA 1.429 57.823 56.400 -0.009 0.000 0.843 384 E CB 0.016 29.710 29.700 -0.009 0.000 1.067 384 E HN 1.479 nan 8.360 nan 0.000 0.398 385 G N 3.035 111.832 108.800 -0.006 0.000 2.445 385 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.212 385 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.212 385 G C -0.534 174.365 174.900 -0.003 0.000 1.217 385 G CA -0.380 44.718 45.100 -0.003 0.000 1.002 385 G HN 0.569 nan 8.290 nan 0.000 0.574 386 T N 1.300 115.854 114.554 0.001 0.000 2.795 386 T HA 0.673 5.023 4.350 -0.000 0.000 0.282 386 T C -0.173 174.532 174.700 0.008 0.000 0.980 386 T CA 0.356 62.458 62.100 0.004 0.000 1.012 386 T CB 1.529 70.401 68.868 0.007 0.000 0.936 386 T HN 0.738 nan 8.240 nan 0.000 0.457 387 T N 2.630 117.192 114.554 0.013 0.000 2.824 387 T HA 0.519 4.869 4.350 -0.000 0.000 0.282 387 T C -0.536 174.186 174.700 0.037 0.000 0.993 387 T CA -0.535 61.577 62.100 0.020 0.000 0.967 387 T CB 1.239 70.117 68.868 0.017 0.000 0.960 387 T HN 0.333 nan 8.240 nan 0.000 0.441 388 V N 3.992 123.930 119.914 0.040 0.000 2.350 388 V HA 0.352 4.472 4.120 -0.000 0.000 0.285 388 V C -0.132 175.995 176.094 0.054 0.000 1.014 388 V CA -0.802 61.532 62.300 0.056 0.000 0.831 388 V CB 1.505 33.355 31.823 0.045 0.000 1.000 388 V HN 0.729 nan 8.190 nan 0.000 0.433 389 V N 3.979 123.940 119.914 0.077 0.000 2.334 389 V HA 0.264 4.384 4.120 -0.000 0.000 0.267 389 V C 0.165 176.265 176.094 0.010 0.000 1.040 389 V CA -0.351 61.973 62.300 0.040 0.000 0.866 389 V CB 1.226 33.075 31.823 0.044 0.000 1.019 389 V HN 0.889 nan 8.190 nan 0.000 0.468 390 D N 4.127 124.532 120.400 0.008 0.000 2.339 390 D HA 0.300 4.940 4.640 -0.000 0.000 0.245 390 D C 0.810 177.104 176.300 -0.012 0.000 1.115 390 D CA -0.132 53.874 54.000 0.010 0.000 0.917 390 D CB 0.467 41.284 40.800 0.029 0.000 1.192 390 D HN 0.505 nan 8.370 nan 0.000 0.428 391 R N 1.698 122.204 120.500 0.011 0.000 3.423 391 R HA -0.182 4.158 4.340 -0.000 0.000 0.271 391 R C 0.827 176.992 176.300 -0.225 0.000 1.093 391 R CA 0.569 56.671 56.100 0.003 0.000 0.730 391 R CB -2.237 28.090 30.300 0.046 0.000 1.190 391 R HN 0.479 nan 8.270 nan 0.000 0.437 392 I N -2.152 118.276 120.570 -0.237 0.000 3.334 392 I HA -0.118 4.052 4.170 -0.000 0.000 0.282 392 I C 1.960 177.867 176.117 -0.350 0.000 1.313 392 I CA 0.562 61.614 61.300 -0.413 0.000 1.396 392 I CB -0.971 36.508 38.000 -0.869 0.000 1.054 392 I HN 0.339 nan 8.210 nan 0.000 0.495 393 Y N -0.374 119.792 120.300 -0.223 0.000 2.384 393 Y HA -0.194 4.356 4.550 -0.000 0.000 0.289 393 Y C 2.312 178.117 175.900 -0.158 0.000 1.152 393 Y CA 1.317 59.301 58.100 -0.192 0.000 1.258 393 Y CB -1.534 36.799 38.460 -0.211 0.000 0.979 393 Y HN 0.203 nan 8.280 nan 0.000 0.549 394 H N 0.572 119.225 119.070 -0.695 0.000 2.387 394 H HA -0.161 4.394 4.556 -0.000 0.000 0.299 394 H C 2.292 177.523 175.328 -0.161 0.000 1.099 394 H CA 1.932 57.707 56.048 -0.455 0.000 1.315 394 H CB -0.262 29.201 29.762 -0.498 0.000 1.380 394 H HN 0.523 nan 8.280 nan 0.000 0.513 395 I N 0.974 121.519 120.570 -0.043 0.000 2.546 395 I HA -0.183 3.987 4.170 -0.000 0.000 0.255 395 I C 1.087 177.290 176.117 0.145 0.000 1.163 395 I CA 0.966 62.290 61.300 0.040 0.000 1.457 395 I CB 0.051 37.983 38.000 -0.113 0.000 1.092 395 I HN 0.048 nan 8.210 nan 0.000 0.434 396 D N 0.612 121.057 120.400 0.075 0.000 2.378 396 D HA -0.072 4.568 4.640 -0.000 0.000 0.227 396 D C 1.995 178.361 176.300 0.111 0.000 1.012 396 D CA 0.481 54.547 54.000 0.110 0.000 0.905 396 D CB 0.018 40.870 40.800 0.086 0.000 0.895 396 D HN 0.434 nan 8.370 nan 0.000 0.532 397 R N -0.228 120.338 120.500 0.111 0.000 2.127 397 R HA 0.072 4.412 4.340 -0.000 0.000 0.217 397 R C 1.902 178.237 176.300 0.058 0.000 1.074 397 R CA 1.037 57.189 56.100 0.087 0.000 0.991 397 R CB 0.181 30.535 30.300 0.089 0.000 0.895 397 R HN 0.057 nan 8.270 nan 0.000 0.450 398 G N -1.202 107.637 108.800 0.064 0.000 3.274 398 G HA2 0.118 4.077 3.960 -0.000 0.000 0.250 398 G HA3 0.118 4.077 3.960 -0.000 0.000 0.250 398 G C -0.493 174.218 174.900 -0.315 0.000 1.024 398 G CA -0.165 44.867 45.100 -0.113 0.000 0.840 398 G HN 0.042 nan 8.290 nan 0.000 0.522 399 Y N 0.275 120.608 120.300 0.056 0.000 2.391 399 Y HA 0.462 5.012 4.550 0.000 0.000 0.341 399 Y C -0.148 175.813 175.900 0.101 0.000 0.965 399 Y CA -1.319 56.833 58.100 0.087 0.000 1.067 399 Y CB 1.948 40.459 38.460 0.085 0.000 1.199 399 Y HN -0.011 nan 8.280 nan 0.000 0.450 400 E N 4.879 125.216 120.200 0.229 0.000 2.105 400 E HA 0.207 4.557 4.350 -0.000 0.000 0.285 400 E C -0.179 176.539 176.600 0.197 0.000 1.055 400 E CA -0.577 55.925 56.400 0.169 0.000 0.843 400 E CB 0.325 30.092 29.700 0.112 0.000 1.067 400 E HN 0.718 nan 8.360 nan 0.000 0.398 401 R N 3.726 124.335 120.500 0.180 0.000 3.038 401 R HA -0.233 4.107 4.340 -0.000 0.000 0.242 401 R C 0.327 176.748 176.300 0.203 0.000 0.866 401 R CA 0.594 56.798 56.100 0.172 0.000 0.601 401 R CB -2.221 28.149 30.300 0.116 0.000 1.107 401 R HN 0.777 nan 8.270 nan 0.000 0.492 402 I N 0.298 121.027 120.570 0.265 0.000 2.454 402 I HA -0.269 3.901 4.170 -0.000 0.000 0.254 402 I C 2.468 178.693 176.117 0.181 0.000 1.156 402 I CA 1.971 63.439 61.300 0.281 0.000 1.433 402 I CB -0.064 38.050 38.000 0.190 0.000 1.082 402 I HN 0.691 nan 8.210 nan 0.000 0.432 403 E N 0.773 121.045 120.200 0.120 0.000 2.058 403 E HA -0.296 4.054 4.350 -0.000 0.000 0.194 403 E C 1.614 178.192 176.600 -0.036 0.000 0.997 403 E CA 2.008 58.357 56.400 -0.086 0.000 0.801 403 E CB 0.020 29.639 29.700 -0.135 0.000 0.746 403 E HN 0.507 nan 8.360 nan 0.000 0.450 404 D N 0.317 120.730 120.400 0.022 0.000 2.097 404 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 404 D C 1.897 178.208 176.300 0.017 0.000 0.984 404 D CA 1.066 55.073 54.000 0.013 0.000 0.826 404 D CB -0.145 40.670 40.800 0.025 0.000 0.973 404 D HN 0.187 nan 8.370 nan 0.000 0.460 405 K N 0.304 120.737 120.400 0.054 0.000 2.057 405 K HA -0.058 4.262 4.320 -0.000 0.000 0.207 405 K C 2.343 178.979 176.600 0.060 0.000 1.049 405 K CA 0.619 56.915 56.287 0.016 0.000 0.931 405 K CB -0.200 32.301 32.500 0.002 0.000 0.714 405 K HN 0.151 nan 8.250 nan 0.000 0.440 406 L N 0.547 121.860 121.223 0.151 0.000 2.056 406 L HA -0.150 4.190 4.340 -0.000 0.000 0.207 406 L C 2.758 179.647 176.870 0.033 0.000 1.078 406 L CA 1.055 55.974 54.840 0.132 0.000 0.749 406 L CB -0.323 41.786 42.059 0.084 0.000 0.901 406 L HN 0.191 nan 8.230 nan 0.000 0.433 407 R N 0.362 120.858 120.500 -0.006 0.000 2.096 407 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 407 R C 2.191 178.480 176.300 -0.019 0.000 1.127 407 R CA 1.343 57.426 56.100 -0.028 0.000 0.968 407 R CB -0.202 30.072 30.300 -0.044 0.000 0.861 407 R HN 0.332 nan 8.270 nan 0.000 0.440 408 A N 0.313 123.123 122.820 -0.018 0.000 2.172 408 A HA -0.033 4.286 4.320 -0.000 0.000 0.216 408 A C 1.755 179.324 177.584 -0.025 0.000 1.154 408 A CA 0.798 52.819 52.037 -0.027 0.000 0.701 408 A CB -0.143 18.832 19.000 -0.042 0.000 0.789 408 A HN 0.349 nan 8.150 nan 0.000 0.465 409 L N -1.933 119.284 121.223 -0.009 0.000 2.640 409 L HA 0.278 4.618 4.340 -0.000 0.000 0.230 409 L C 1.487 178.358 176.870 0.001 0.000 1.123 409 L CA 0.570 55.411 54.840 0.001 0.000 0.900 409 L CB 0.271 42.352 42.059 0.038 0.000 1.146 409 L HN 0.530 nan 8.230 nan 0.000 0.484 410 G N 0.032 108.828 108.800 -0.006 0.000 2.168 410 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.197 410 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.197 410 G C 0.294 175.186 174.900 -0.014 0.000 0.997 410 G CA -0.135 44.959 45.100 -0.010 0.000 0.658 410 G HN 0.393 nan 8.290 nan 0.000 0.513 411 A N 0.019 122.830 122.820 -0.015 0.000 2.388 411 A HA 0.634 4.954 4.320 -0.000 0.000 0.257 411 A C 0.479 178.037 177.584 -0.044 0.000 1.095 411 A CA 0.014 52.035 52.037 -0.028 0.000 0.791 411 A CB 0.482 19.465 19.000 -0.029 0.000 1.029 411 A HN 0.486 nan 8.150 nan 0.000 0.489 412 N N 2.350 121.021 118.700 -0.047 0.000 2.801 412 N HA 0.374 5.114 4.740 -0.000 0.000 0.235 412 N C -1.052 174.411 175.510 -0.078 0.000 1.069 412 N CA 0.051 53.070 53.050 -0.052 0.000 0.946 412 N CB -0.245 38.220 38.487 -0.035 0.000 1.212 412 N HN 0.562 nan 8.380 nan 0.000 0.509 413 I N 0.634 121.133 120.570 -0.119 0.000 2.740 413 I HA 0.437 4.607 4.170 -0.000 0.000 0.303 413 I C -0.189 175.806 176.117 -0.204 0.000 1.044 413 I CA -0.816 60.363 61.300 -0.200 0.000 1.064 413 I CB 2.422 40.217 38.000 -0.341 0.000 1.249 413 I HN 0.287 nan 8.210 nan 0.000 0.433 414 E N 4.033 124.097 120.200 -0.226 0.000 2.347 414 E HA 0.277 4.627 4.350 -0.000 0.000 0.285 414 E C -1.394 175.157 176.600 -0.082 0.000 0.925 414 E CA -0.825 55.491 56.400 -0.139 0.000 0.779 414 E CB 2.276 31.943 29.700 -0.055 0.000 1.233 414 E HN 0.518 nan 8.360 nan 0.000 0.414 415 R N 3.723 124.222 120.500 -0.002 0.000 2.221 415 R HA 0.410 4.750 4.340 -0.000 0.000 0.327 415 R C -0.482 175.905 176.300 0.145 0.000 1.033 415 R CA -0.351 55.883 56.100 0.223 0.000 0.887 415 R CB 0.786 31.274 30.300 0.313 0.000 1.057 415 R HN 0.348 nan 8.270 nan 0.000 0.455 416 V N 1.443 121.448 119.914 0.153 0.000 3.046 416 V HA 0.571 4.691 4.120 -0.000 0.000 0.316 416 V C -0.197 175.947 176.094 0.084 0.000 1.104 416 V CA -0.945 61.410 62.300 0.093 0.000 1.006 416 V CB 2.179 34.045 31.823 0.072 0.000 1.058 416 V HN 0.672 nan 8.190 nan 0.000 0.440 417 K N 1.708 122.143 120.400 0.058 0.000 3.860 417 K HA 0.478 4.798 4.320 -0.000 0.000 0.165 417 K C 1.519 178.142 176.600 0.038 0.000 1.146 417 K CA 0.571 56.885 56.287 0.045 0.000 1.673 417 K CB -0.982 31.538 32.500 0.034 0.000 2.306 417 K HN 1.894 nan 8.250 nan 0.000 0.504 418 G N 2.785 111.603 108.800 0.028 0.000 2.168 418 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.257 418 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.257 418 G C 0.033 174.946 174.900 0.022 0.000 0.997 418 G CA 1.501 46.616 45.100 0.024 0.000 0.708 418 G HN 0.626 nan 8.290 nan 0.000 0.520 419 E N 0.000 120.212 120.200 0.021 0.000 2.725 419 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 419 E CA 0.000 56.410 56.400 0.017 0.000 0.976 419 E CB 0.000 29.705 29.700 0.009 0.000 0.812 419 E HN 0.000 nan 8.360 nan 0.000 0.440