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 3oeh_1_M DATA FIRST_RESID 6 DATA SEQUENCE STPITGKVTA VIGAIVDVHF EQSELPAILN ALEIKTPQGK LVLEVAQHLG DATA SEQUENCE ENTVRTIAMD GTEGLVRGEK VLDTGGPISV PVGRETLGRI INVIGEPIDE DATA SEQUENCE RGPIKSKLRK PIHADPPSFA EQSTSAEILE TGIKVVDLLA PYARGGKIGL DATA SEQUENCE FGGAGVGKTV FIQELINNIA KAHGGFSVFT GVGERTREGN DLYREMKETG DATA SEQUENCE VINLEGESKV ALVFGQMNEP PGARARVALT GLTIAEYFRD EEGQDVLLFI DATA SEQUENCE DNIFRFTQAG SEVSALLGRI PSAFGYQPTL ATDMGLLQER ITTTKKGSVT DATA SEQUENCE SVQAVYVPAD DLTDPAPATT FAHLDATTVL SRGISELGIY PAVDPLDSKS DATA SEQUENCE RLLDAAVVGQ EHYDVASKVQ ETLQTYKSLQ DIIAILGMDE LSEQDKLTVE DATA SEQUENCE RARKIQRFLS QPFAVAEVFT GIPGKLVRLK DTVASFKAVL EGKYDNIPEH DATA SEQUENCE AFYMVGGIED VVAKAEKLAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.603 174.600 0.005 0.000 1.055 6 S CA 0.000 58.201 58.200 0.002 0.000 1.107 6 S CB 0.000 63.201 63.200 0.002 0.000 0.593 7 T N 2.933 117.491 114.554 0.006 0.000 2.767 7 T HA 0.790 5.140 4.350 -0.000 0.000 0.284 7 T C -2.911 171.798 174.700 0.015 0.000 0.973 7 T CA -1.258 60.849 62.100 0.011 0.000 0.996 7 T CB 0.976 69.851 68.868 0.012 0.000 0.927 7 T HN 0.200 nan 8.240 nan 0.000 0.456 8 P HA 0.462 nan 4.420 nan 0.000 0.280 8 P C -0.730 176.600 177.300 0.050 0.000 1.244 8 P CA -0.604 62.514 63.100 0.031 0.000 0.784 8 P CB 0.465 32.184 31.700 0.030 0.000 0.913 9 I N 1.916 122.525 120.570 0.065 0.000 2.325 9 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 9 I C 0.292 176.552 176.117 0.239 0.000 1.019 9 I CA 0.277 61.645 61.300 0.113 0.000 1.302 9 I CB 0.901 38.922 38.000 0.036 0.000 1.401 9 I HN 0.227 nan 8.210 nan 0.000 0.485 10 T N 4.958 119.654 114.554 0.236 0.000 2.840 10 T HA 0.598 4.947 4.350 -0.000 0.000 0.287 10 T C 0.141 174.812 174.700 -0.050 0.000 0.991 10 T CA -0.564 61.618 62.100 0.136 0.000 0.964 10 T CB 1.456 70.353 68.868 0.049 0.000 0.954 10 T HN 0.773 nan 8.240 nan 0.000 0.438 11 G N 2.117 110.662 108.800 -0.425 0.000 2.932 11 G HA2 0.755 4.715 3.960 -0.000 0.000 0.283 11 G HA3 0.755 4.715 3.960 -0.000 0.000 0.283 11 G C -1.291 173.339 174.900 -0.451 0.000 1.336 11 G CA -0.764 43.778 45.100 -0.930 0.000 1.056 11 G HN 0.541 nan 8.290 nan 0.000 0.522 12 K N 0.231 120.408 120.400 -0.372 0.000 2.507 12 K HA 0.397 4.717 4.320 -0.000 0.000 0.252 12 K C -0.752 175.769 176.600 -0.132 0.000 0.943 12 K CA -0.635 55.548 56.287 -0.173 0.000 0.808 12 K CB 2.645 35.090 32.500 -0.092 0.000 1.142 12 K HN 0.258 nan 8.250 nan 0.000 0.426 13 V N 2.899 122.755 119.914 -0.096 0.000 2.557 13 V HA -0.088 4.032 4.120 -0.000 0.000 0.301 13 V C 1.440 177.509 176.094 -0.041 0.000 1.026 13 V CA 0.871 63.138 62.300 -0.055 0.000 1.137 13 V CB 0.408 32.209 31.823 -0.037 0.000 0.917 13 V HN 1.017 nan 8.190 nan 0.000 0.484 14 T N 0.650 115.189 114.554 -0.024 0.000 2.959 14 T HA 0.621 4.971 4.350 -0.000 0.000 0.254 14 T C 0.315 175.005 174.700 -0.016 0.000 1.003 14 T CA 0.457 62.542 62.100 -0.024 0.000 0.950 14 T CB 0.595 69.454 68.868 -0.014 0.000 1.090 14 T HN 1.130 nan 8.240 nan 0.000 0.503 15 A N 0.485 123.300 122.820 -0.007 0.000 2.589 15 A HA 0.699 5.019 4.320 -0.000 0.000 0.296 15 A C -1.683 175.901 177.584 -0.000 0.000 1.062 15 A CA -0.703 51.332 52.037 -0.003 0.000 0.686 15 A CB 1.819 20.821 19.000 0.003 0.000 1.282 15 A HN 0.298 nan 8.150 nan 0.000 0.404 16 V N 2.647 122.560 119.914 -0.001 0.000 2.488 16 V HA 0.488 4.608 4.120 -0.000 0.000 0.293 16 V C -0.866 175.229 176.094 0.001 0.000 1.027 16 V CA -0.048 62.253 62.300 0.001 0.000 0.862 16 V CB 1.282 33.104 31.823 -0.002 0.000 1.008 16 V HN 0.710 nan 8.190 nan 0.000 0.428 17 I N 4.544 125.116 120.570 0.004 0.000 2.493 17 I HA 0.609 4.779 4.170 -0.000 0.000 0.279 17 I C 0.980 177.099 176.117 0.003 0.000 1.045 17 I CA -0.010 61.291 61.300 0.003 0.000 1.106 17 I CB 1.395 39.397 38.000 0.003 0.000 1.216 17 I HN 0.839 nan 8.210 nan 0.000 0.459 18 G N 4.805 113.606 108.800 0.002 0.000 2.583 18 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.292 18 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.292 18 G C 0.895 175.797 174.900 0.003 0.000 1.203 18 G CA 0.489 45.589 45.100 0.001 0.000 0.987 18 G HN 0.803 nan 8.290 nan 0.000 0.554 19 A N -0.535 122.286 122.820 0.002 0.000 2.209 19 A HA 0.449 4.769 4.320 -0.000 0.000 0.212 19 A C 1.068 178.658 177.584 0.010 0.000 1.158 19 A CA 1.337 53.377 52.037 0.005 0.000 0.742 19 A CB -0.186 18.814 19.000 0.001 0.000 0.790 19 A HN 0.686 nan 8.150 nan 0.000 0.472 20 I N 0.964 121.540 120.570 0.010 0.000 2.321 20 I HA 0.345 4.515 4.170 -0.000 0.000 0.291 20 I C -0.672 175.455 176.117 0.017 0.000 0.998 20 I CA -0.723 60.586 61.300 0.015 0.000 1.227 20 I CB 1.058 39.066 38.000 0.013 0.000 1.368 20 I HN -0.151 nan 8.210 nan 0.000 0.466 21 V N 5.862 125.790 119.914 0.023 0.000 2.483 21 V HA 0.381 4.501 4.120 -0.000 0.000 0.297 21 V C -0.541 175.572 176.094 0.032 0.000 1.027 21 V CA -0.772 61.542 62.300 0.023 0.000 0.855 21 V CB 2.223 34.059 31.823 0.022 0.000 0.995 21 V HN 0.562 nan 8.190 nan 0.000 0.424 22 D N 3.014 123.430 120.400 0.027 0.000 2.175 22 D HA 0.706 5.346 4.640 -0.000 0.000 0.248 22 D C -0.575 175.741 176.300 0.027 0.000 1.047 22 D CA -0.066 53.956 54.000 0.037 0.000 0.883 22 D CB 2.345 43.166 40.800 0.035 0.000 1.180 22 D HN 0.275 nan 8.370 nan 0.000 0.438 23 V N 1.821 121.760 119.914 0.041 0.000 2.841 23 V HA 0.221 4.341 4.120 -0.000 0.000 0.310 23 V C -0.653 175.439 176.094 -0.003 0.000 1.090 23 V CA -0.850 61.437 62.300 -0.022 0.000 0.930 23 V CB 2.369 34.174 31.823 -0.030 0.000 1.014 23 V HN 0.573 nan 8.190 nan 0.000 0.425 24 H N 4.133 123.077 119.070 -0.211 0.000 2.551 24 H HA 0.574 5.130 4.556 -0.000 0.000 0.321 24 H C -1.560 173.604 175.328 -0.274 0.000 1.028 24 H CA -0.228 55.736 56.048 -0.141 0.000 1.215 24 H CB 1.149 30.857 29.762 -0.090 0.000 1.414 24 H HN 0.475 nan 8.280 nan 0.000 0.480 25 F N 1.757 121.433 119.950 -0.457 0.000 2.476 25 F HA 0.324 4.851 4.527 -0.000 0.000 0.358 25 F C 0.881 176.403 175.800 -0.463 0.000 1.091 25 F CA -0.619 57.181 58.000 -0.332 0.000 1.131 25 F CB 0.671 39.541 39.000 -0.217 0.000 1.653 25 F HN 0.445 nan 8.300 nan 0.000 0.518 26 E N -0.372 119.838 120.200 0.017 0.000 2.316 26 E HA 0.189 4.539 4.350 -0.000 0.000 0.258 26 E C -1.263 175.319 176.600 -0.029 0.000 0.952 26 E CA -1.118 55.262 56.400 -0.033 0.000 0.818 26 E CB 1.100 30.814 29.700 0.024 0.000 1.260 26 E HN 0.280 nan 8.360 nan 0.000 0.416 27 Q N 0.423 120.213 119.800 -0.017 0.000 2.520 27 Q HA -0.093 4.247 4.340 -0.000 0.000 0.320 27 Q C -0.249 175.736 176.000 -0.025 0.000 1.104 27 Q CA 0.908 56.700 55.803 -0.017 0.000 1.062 27 Q CB -0.451 28.287 28.738 -0.001 0.000 1.005 27 Q HN 0.628 nan 8.270 nan 0.000 0.390 28 S N 2.168 117.845 115.700 -0.038 0.000 3.380 28 S HA -0.252 4.218 4.470 -0.000 0.000 0.300 28 S C -0.149 174.416 174.600 -0.058 0.000 1.255 28 S CA 1.491 59.666 58.200 -0.041 0.000 0.963 28 S CB -1.244 61.943 63.200 -0.022 0.000 1.106 28 S HN 0.841 nan 8.310 nan 0.000 0.629 29 E N 0.171 120.323 120.200 -0.080 0.000 2.815 29 E HA 0.442 4.792 4.350 -0.000 0.000 0.211 29 E C 0.036 176.480 176.600 -0.260 0.000 1.004 29 E CA -0.563 55.769 56.400 -0.113 0.000 1.173 29 E CB 0.280 29.948 29.700 -0.053 0.000 1.163 29 E HN 0.462 nan 8.360 nan 0.000 0.449 30 L N 1.757 122.806 121.223 -0.291 0.000 2.439 30 L HA 0.339 4.679 4.340 -0.000 0.000 0.269 30 L C -1.968 174.638 176.870 -0.441 0.000 1.179 30 L CA -1.993 52.542 54.840 -0.508 0.000 0.828 30 L CB 0.046 41.802 42.059 -0.505 0.000 1.106 30 L HN 0.062 nan 8.230 nan 0.000 0.467 31 P HA 0.204 nan 4.420 nan 0.000 0.279 31 P C -0.597 176.703 177.300 -0.001 0.000 1.239 31 P CA -0.458 62.475 63.100 -0.278 0.000 0.789 31 P CB 0.928 32.438 31.700 -0.316 0.000 0.933 32 A N 3.513 126.340 122.820 0.012 0.000 2.507 32 A HA 0.109 4.429 4.320 -0.000 0.000 0.235 32 A C 0.443 178.038 177.584 0.018 0.000 1.070 32 A CA -0.161 51.892 52.037 0.027 0.000 0.768 32 A CB -0.597 18.387 19.000 -0.028 0.000 1.011 32 A HN 0.556 nan 8.150 nan 0.000 0.502 33 I N 0.976 121.485 120.570 -0.101 0.000 2.710 33 I HA 0.015 4.185 4.170 -0.000 0.000 0.286 33 I C 0.725 176.784 176.117 -0.097 0.000 1.181 33 I CA 0.811 62.045 61.300 -0.110 0.000 1.430 33 I CB 0.225 38.100 38.000 -0.208 0.000 1.367 33 I HN 0.730 nan 8.210 nan 0.000 0.577 34 L N 2.370 123.545 121.223 -0.080 0.000 4.586 34 L HA -0.245 4.095 4.340 -0.000 0.000 0.401 34 L C 0.165 177.041 176.870 0.009 0.000 0.854 34 L CA -0.057 54.720 54.840 -0.105 0.000 1.918 34 L CB -1.636 40.246 42.059 -0.294 0.000 1.631 34 L HN 0.665 nan 8.230 nan 0.000 0.579 35 N N 1.066 119.773 118.700 0.011 0.000 2.441 35 N HA 0.484 5.224 4.740 -0.000 0.000 0.251 35 N C 0.273 175.812 175.510 0.049 0.000 1.242 35 N CA 0.939 54.005 53.050 0.026 0.000 0.898 35 N CB 0.763 39.250 38.487 0.001 0.000 1.100 35 N HN 0.320 nan 8.380 nan 0.000 0.443 36 A N 1.904 124.753 122.820 0.049 0.000 2.306 36 A HA 0.676 4.996 4.320 -0.000 0.000 0.314 36 A C -0.493 177.124 177.584 0.055 0.000 1.164 36 A CA -0.512 51.557 52.037 0.054 0.000 0.822 36 A CB 0.306 19.333 19.000 0.045 0.000 1.130 36 A HN 0.597 nan 8.150 nan 0.000 0.496 37 L N 0.881 122.146 121.223 0.069 0.000 2.323 37 L HA 0.637 4.977 4.340 -0.000 0.000 0.265 37 L C -0.120 176.789 176.870 0.065 0.000 1.012 37 L CA -0.569 54.324 54.840 0.088 0.000 0.820 37 L CB 2.137 44.276 42.059 0.133 0.000 1.334 37 L HN 0.760 nan 8.230 nan 0.000 0.427 38 E N 1.402 121.639 120.200 0.063 0.000 2.248 38 E HA 0.612 4.962 4.350 -0.000 0.000 0.267 38 E C -1.405 175.215 176.600 0.034 0.000 0.877 38 E CA -0.545 55.880 56.400 0.041 0.000 0.759 38 E CB 3.020 32.740 29.700 0.033 0.000 1.182 38 E HN 0.365 nan 8.360 nan 0.000 0.418 39 I N 2.393 122.976 120.570 0.023 0.000 2.474 39 I HA 0.289 4.459 4.170 -0.000 0.000 0.294 39 I C -0.342 175.781 176.117 0.009 0.000 1.005 39 I CA -1.038 60.270 61.300 0.012 0.000 1.113 39 I CB 1.722 39.726 38.000 0.007 0.000 1.289 39 I HN 0.228 nan 8.210 nan 0.000 0.436 40 K N 5.205 125.608 120.400 0.005 0.000 2.231 40 K HA 0.241 4.561 4.320 -0.000 0.000 0.275 40 K C -0.043 176.558 176.600 0.002 0.000 1.105 40 K CA -0.324 55.966 56.287 0.004 0.000 0.931 40 K CB 0.288 32.791 32.500 0.003 0.000 1.296 40 K HN 0.718 nan 8.250 nan 0.000 0.446 41 T N 1.877 116.433 114.554 0.002 0.000 2.816 41 T HA 0.288 4.638 4.350 -0.000 0.000 0.282 41 T C -1.520 173.180 174.700 0.000 0.000 0.993 41 T CA -1.593 60.508 62.100 0.001 0.000 0.994 41 T CB 0.857 69.726 68.868 0.002 0.000 1.025 41 T HN 0.294 nan 8.240 nan 0.000 0.529 42 P HA -0.066 nan 4.420 nan 0.000 0.215 42 P C 2.194 179.494 177.300 -0.000 0.000 1.157 42 P CA 2.097 65.197 63.100 -0.001 0.000 0.874 42 P CB -0.340 31.359 31.700 -0.001 0.000 0.790 43 Q N -0.605 119.195 119.800 -0.000 0.000 1.994 43 Q HA 0.177 4.517 4.340 -0.000 0.000 0.198 43 Q C 2.002 178.002 176.000 0.000 0.000 0.976 43 Q CA 1.856 57.659 55.803 -0.000 0.000 0.828 43 Q CB -1.447 27.291 28.738 -0.000 0.000 0.894 43 Q HN 0.388 nan 8.270 nan 0.000 0.432 44 G N -0.753 108.047 108.800 0.001 0.000 2.825 44 G HA2 0.437 4.397 3.960 -0.000 0.000 0.191 44 G HA3 0.437 4.397 3.960 -0.000 0.000 0.191 44 G C -0.296 174.606 174.900 0.003 0.000 1.708 44 G CA 0.513 45.614 45.100 0.002 0.000 0.813 44 G HN 0.721 nan 8.290 nan 0.000 0.799 45 K N -0.763 119.640 120.400 0.005 0.000 2.551 45 K HA 0.636 4.956 4.320 -0.000 0.000 0.269 45 K C -2.310 174.296 176.600 0.009 0.000 0.949 45 K CA -0.800 55.491 56.287 0.007 0.000 0.849 45 K CB 2.400 34.905 32.500 0.008 0.000 1.411 45 K HN 0.549 nan 8.250 nan 0.000 0.432 46 L N 2.263 123.493 121.223 0.011 0.000 2.313 46 L HA 0.481 4.821 4.340 -0.000 0.000 0.283 46 L C -1.473 175.409 176.870 0.020 0.000 1.013 46 L CA -0.470 54.378 54.840 0.014 0.000 0.816 46 L CB 1.941 44.007 42.059 0.012 0.000 1.236 46 L HN 0.512 nan 8.230 nan 0.000 0.419 47 V N 6.228 126.155 119.914 0.022 0.000 2.481 47 V HA 0.469 4.589 4.120 -0.000 0.000 0.286 47 V C 0.022 176.138 176.094 0.035 0.000 1.042 47 V CA -0.440 61.877 62.300 0.029 0.000 0.928 47 V CB 1.373 33.211 31.823 0.026 0.000 0.986 47 V HN 0.652 nan 8.190 nan 0.000 0.462 48 L N 3.871 125.122 121.223 0.046 0.000 2.365 48 L HA 0.611 4.951 4.340 -0.000 0.000 0.273 48 L C -0.089 176.819 176.870 0.063 0.000 1.000 48 L CA -0.366 54.506 54.840 0.053 0.000 0.819 48 L CB 2.015 44.109 42.059 0.058 0.000 1.284 48 L HN 0.610 nan 8.230 nan 0.000 0.418 49 E N 2.033 122.271 120.200 0.064 0.000 2.156 49 E HA 0.363 4.713 4.350 -0.000 0.000 0.279 49 E C -1.142 175.498 176.600 0.067 0.000 0.965 49 E CA -0.783 55.661 56.400 0.073 0.000 0.789 49 E CB 1.986 31.741 29.700 0.092 0.000 1.098 49 E HN 0.339 nan 8.360 nan 0.000 0.397 50 V N 4.121 124.075 119.914 0.066 0.000 2.521 50 V HA 0.108 4.228 4.120 -0.000 0.000 0.286 50 V C 0.873 176.994 176.094 0.044 0.000 1.034 50 V CA 0.749 63.093 62.300 0.073 0.000 1.045 50 V CB 0.732 32.610 31.823 0.091 0.000 0.974 50 V HN 0.871 nan 8.190 nan 0.000 0.480 51 A N 4.249 127.100 122.820 0.053 0.000 1.988 51 A HA 0.318 4.638 4.320 -0.000 0.000 0.201 51 A C 0.757 178.355 177.584 0.023 0.000 1.410 51 A CA 0.157 52.207 52.037 0.022 0.000 0.832 51 A CB 0.316 19.330 19.000 0.024 0.000 0.981 51 A HN 0.728 nan 8.150 nan 0.000 0.492 52 Q N -0.579 119.263 119.800 0.070 0.000 2.413 52 Q HA 0.429 4.769 4.340 -0.000 0.000 0.276 52 Q C -1.551 174.582 176.000 0.222 0.000 1.099 52 Q CA -0.530 55.324 55.803 0.085 0.000 0.814 52 Q CB 2.028 30.803 28.738 0.062 0.000 1.379 52 Q HN 0.635 nan 8.270 nan 0.000 0.436 53 H N 2.288 121.359 119.070 0.002 0.000 2.685 53 H HA 0.190 4.746 4.556 -0.000 0.000 0.286 53 H C 0.598 175.935 175.328 0.015 0.000 1.102 53 H CA -0.276 55.776 56.048 0.007 0.000 1.254 53 H CB 0.840 30.596 29.762 -0.009 0.000 1.397 53 H HN 0.473 nan 8.280 nan 0.000 0.473 54 L N 2.747 124.040 121.223 0.116 0.000 2.291 54 L HA 0.077 4.417 4.340 -0.000 0.000 0.214 54 L C 1.210 178.119 176.870 0.065 0.000 1.120 54 L CA 0.753 55.639 54.840 0.078 0.000 0.799 54 L CB -0.020 42.077 42.059 0.063 0.000 0.925 54 L HN 0.852 nan 8.230 nan 0.000 0.446 55 G N -0.482 108.355 108.800 0.061 0.000 2.497 55 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.686 55 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.686 55 G C -0.265 174.661 174.900 0.045 0.000 1.288 55 G CA -0.618 44.511 45.100 0.048 0.000 0.899 55 G HN 0.197 nan 8.290 nan 0.000 0.608 56 E N 0.581 120.806 120.200 0.043 0.000 2.228 56 E HA -0.269 4.081 4.350 -0.000 0.000 0.213 56 E C 0.752 177.395 176.600 0.072 0.000 1.282 56 E CA 0.702 57.139 56.400 0.062 0.000 0.707 56 E CB -1.227 28.519 29.700 0.076 0.000 1.150 56 E HN 1.082 nan 8.360 nan 0.000 0.362 57 N N -1.616 117.080 118.700 -0.008 0.000 2.696 57 N HA -0.181 4.559 4.740 -0.000 0.000 0.249 57 N C -0.613 174.828 175.510 -0.114 0.000 1.090 57 N CA 1.755 54.737 53.050 -0.113 0.000 0.716 57 N CB -1.332 37.023 38.487 -0.221 0.000 1.020 57 N HN 0.245 nan 8.380 nan 0.000 0.548 58 T N 0.114 114.674 114.554 0.009 0.000 2.792 58 T HA 0.542 4.892 4.350 -0.000 0.000 0.280 58 T C 0.580 175.303 174.700 0.038 0.000 0.990 58 T CA -0.773 61.369 62.100 0.070 0.000 0.960 58 T CB 2.622 71.560 68.868 0.116 0.000 0.939 58 T HN 0.194 nan 8.240 nan 0.000 0.439 59 V N 1.656 121.613 119.914 0.071 0.000 2.630 59 V HA 0.748 4.867 4.120 -0.000 0.000 0.305 59 V C -0.116 176.038 176.094 0.100 0.000 1.046 59 V CA -1.324 61.021 62.300 0.075 0.000 0.934 59 V CB 1.574 33.436 31.823 0.065 0.000 1.003 59 V HN 0.858 nan 8.190 nan 0.000 0.451 60 R N 2.408 122.968 120.500 0.100 0.000 2.346 60 R HA 0.695 5.035 4.340 -0.000 0.000 0.311 60 R C -0.037 176.310 176.300 0.079 0.000 0.983 60 R CA 0.299 56.445 56.100 0.077 0.000 0.880 60 R CB 1.385 31.722 30.300 0.062 0.000 1.100 60 R HN 1.167 nan 8.270 nan 0.000 0.453 61 T N 0.990 115.584 114.554 0.066 0.000 2.930 61 T HA 0.554 4.904 4.350 -0.000 0.000 0.290 61 T C -0.094 174.633 174.700 0.045 0.000 1.052 61 T CA -0.835 61.303 62.100 0.063 0.000 1.017 61 T CB 1.201 70.115 68.868 0.075 0.000 1.137 61 T HN 0.436 nan 8.240 nan 0.000 0.511 62 I N 1.396 121.992 120.570 0.043 0.000 2.433 62 I HA 0.592 4.762 4.170 -0.000 0.000 0.292 62 I C 0.420 176.557 176.117 0.035 0.000 1.001 62 I CA -1.128 60.192 61.300 0.033 0.000 1.119 62 I CB 1.733 39.751 38.000 0.030 0.000 1.289 62 I HN 1.000 nan 8.210 nan 0.000 0.438 63 A N 6.956 129.792 122.820 0.026 0.000 2.354 63 A HA 0.474 4.794 4.320 -0.000 0.000 0.269 63 A C 0.606 178.204 177.584 0.023 0.000 1.109 63 A CA -0.354 51.698 52.037 0.025 0.000 0.800 63 A CB 0.583 19.594 19.000 0.018 0.000 1.045 63 A HN 0.741 nan 8.150 nan 0.000 0.489 64 M N 0.723 120.337 119.600 0.024 0.000 2.428 64 M HA 0.207 4.687 4.480 -0.000 0.000 0.239 64 M C -0.016 176.294 176.300 0.017 0.000 1.121 64 M CA 0.568 55.881 55.300 0.022 0.000 1.019 64 M CB -0.898 31.716 32.600 0.024 0.000 1.485 64 M HN 0.786 nan 8.290 nan 0.000 0.484 65 D N -1.009 119.400 120.400 0.015 0.000 3.057 65 D HA 0.430 5.070 4.640 -0.000 0.000 0.328 65 D C -0.515 175.791 176.300 0.009 0.000 1.317 65 D CA -0.209 53.798 54.000 0.012 0.000 0.973 65 D CB 1.160 41.967 40.800 0.011 0.000 1.424 65 D HN 0.111 nan 8.370 nan 0.000 0.569 66 G N -0.803 108.002 108.800 0.007 0.000 2.491 66 G HA2 0.341 4.301 3.960 -0.000 0.000 0.242 66 G HA3 0.341 4.301 3.960 -0.000 0.000 0.242 66 G C 0.838 175.742 174.900 0.005 0.000 1.266 66 G CA 0.677 45.780 45.100 0.005 0.000 0.844 66 G HN 0.378 nan 8.290 nan 0.000 0.571 67 T N -1.436 113.120 114.554 0.004 0.000 3.022 67 T HA 0.104 4.454 4.350 -0.000 0.000 0.250 67 T C 0.867 175.568 174.700 0.001 0.000 1.060 67 T CA 0.240 62.342 62.100 0.004 0.000 1.013 67 T CB -0.057 68.813 68.868 0.004 0.000 0.982 67 T HN 0.647 nan 8.240 nan 0.000 0.508 68 E N 2.088 122.288 120.200 0.001 0.000 2.502 68 E HA 0.231 4.581 4.350 -0.000 0.000 0.261 68 E C 1.166 177.766 176.600 -0.001 0.000 0.974 68 E CA 0.902 57.302 56.400 -0.000 0.000 0.936 68 E CB -0.148 29.551 29.700 -0.000 0.000 0.926 68 E HN 0.588 nan 8.360 nan 0.000 0.459 69 G N 2.745 111.544 108.800 -0.002 0.000 2.194 69 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.236 69 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.236 69 G C 0.251 175.149 174.900 -0.004 0.000 0.987 69 G CA 0.104 45.202 45.100 -0.003 0.000 0.635 69 G HN 0.485 nan 8.290 nan 0.000 0.520 70 L N 1.201 122.422 121.223 -0.004 0.000 2.416 70 L HA 0.513 4.853 4.340 -0.000 0.000 0.272 70 L C 0.617 177.482 176.870 -0.009 0.000 1.161 70 L CA -0.458 54.379 54.840 -0.006 0.000 0.845 70 L CB 1.329 43.385 42.059 -0.004 0.000 1.119 70 L HN -0.005 nan 8.230 nan 0.000 0.464 71 V N 3.863 123.770 119.914 -0.012 0.000 2.667 71 V HA 0.365 4.485 4.120 -0.000 0.000 0.308 71 V C 0.195 176.277 176.094 -0.019 0.000 1.048 71 V CA -0.897 61.394 62.300 -0.014 0.000 0.928 71 V CB 1.932 33.746 31.823 -0.015 0.000 1.004 71 V HN 0.662 nan 8.190 nan 0.000 0.444 72 R N 2.290 122.777 120.500 -0.021 0.000 2.370 72 R HA 0.453 4.793 4.340 -0.000 0.000 0.309 72 R C 1.086 177.366 176.300 -0.033 0.000 1.059 72 R CA 1.011 57.094 56.100 -0.027 0.000 0.981 72 R CB 0.290 30.574 30.300 -0.027 0.000 0.972 72 R HN 1.178 nan 8.270 nan 0.000 0.437 73 G N 2.258 111.034 108.800 -0.040 0.000 2.148 73 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.203 73 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.203 73 G C -0.063 174.811 174.900 -0.044 0.000 0.993 73 G CA -0.262 44.810 45.100 -0.046 0.000 0.661 73 G HN 0.586 nan 8.290 nan 0.000 0.518 74 E N 0.723 120.899 120.200 -0.040 0.000 2.338 74 E HA 0.488 4.838 4.350 -0.000 0.000 0.272 74 E C 0.719 177.290 176.600 -0.049 0.000 1.029 74 E CA -0.563 55.816 56.400 -0.036 0.000 0.872 74 E CB 0.398 30.083 29.700 -0.026 0.000 1.015 74 E HN 0.271 nan 8.360 nan 0.000 0.417 75 K N 2.504 122.879 120.400 -0.042 0.000 2.451 75 K HA 0.100 4.420 4.320 -0.000 0.000 0.280 75 K C -1.314 175.259 176.600 -0.045 0.000 1.020 75 K CA -0.103 56.155 56.287 -0.049 0.000 1.008 75 K CB 0.490 32.973 32.500 -0.028 0.000 0.917 75 K HN 0.256 nan 8.250 nan 0.000 0.478 76 V N 5.843 125.715 119.914 -0.071 0.000 2.588 76 V HA 0.332 4.452 4.120 -0.000 0.000 0.304 76 V C -0.889 175.226 176.094 0.035 0.000 1.042 76 V CA -1.079 61.201 62.300 -0.033 0.000 0.877 76 V CB 1.394 33.172 31.823 -0.076 0.000 0.996 76 V HN 0.637 nan 8.190 nan 0.000 0.425 77 L N 3.429 124.698 121.223 0.077 0.000 2.309 77 L HA 0.680 5.020 4.340 -0.000 0.000 0.282 77 L C -0.312 176.647 176.870 0.148 0.000 1.036 77 L CA 0.157 55.062 54.840 0.108 0.000 0.806 77 L CB 1.511 43.607 42.059 0.062 0.000 1.220 77 L HN 0.715 nan 8.230 nan 0.000 0.429 78 D N 1.623 122.119 120.400 0.159 0.000 2.277 78 D HA 0.177 4.817 4.640 -0.000 0.000 0.249 78 D C 0.998 177.325 176.300 0.045 0.000 1.134 78 D CA 0.390 54.441 54.000 0.086 0.000 0.863 78 D CB 1.607 42.409 40.800 0.003 0.000 1.143 78 D HN 0.756 nan 8.370 nan 0.000 0.458 79 T N 0.752 115.326 114.554 0.033 0.000 3.014 79 T HA 0.250 4.600 4.350 -0.000 0.000 0.263 79 T C 1.401 176.106 174.700 0.008 0.000 1.078 79 T CA 0.913 63.026 62.100 0.021 0.000 1.135 79 T CB 0.193 69.074 68.868 0.021 0.000 0.895 79 T HN 0.603 nan 8.240 nan 0.000 0.480 80 G N -0.106 108.694 108.800 -0.000 0.000 2.699 80 G HA2 0.255 4.215 3.960 -0.000 0.000 0.198 80 G HA3 0.255 4.215 3.960 -0.000 0.000 0.198 80 G C 0.399 175.293 174.900 -0.010 0.000 1.033 80 G CA -0.219 44.875 45.100 -0.009 0.000 0.728 80 G HN 1.166 nan 8.290 nan 0.000 0.484 81 G N -0.018 108.782 108.800 0.001 0.000 2.772 81 G HA2 0.763 4.723 3.960 -0.000 0.000 0.284 81 G HA3 0.763 4.723 3.960 -0.000 0.000 0.284 81 G C -3.191 171.726 174.900 0.028 0.000 1.217 81 G CA 0.217 45.322 45.100 0.008 0.000 0.831 81 G HN 0.382 nan 8.290 nan 0.000 0.523 82 P HA 0.440 nan 4.420 nan 0.000 0.279 82 P C -0.065 177.272 177.300 0.062 0.000 1.282 82 P CA -0.601 62.560 63.100 0.102 0.000 0.788 82 P CB 0.778 32.594 31.700 0.193 0.000 1.139 83 I N -0.091 120.514 120.570 0.060 0.000 2.692 83 I HA 0.023 4.193 4.170 -0.000 0.000 0.284 83 I C 0.644 176.744 176.117 -0.027 0.000 1.159 83 I CA 0.808 62.111 61.300 0.006 0.000 1.423 83 I CB 0.059 38.052 38.000 -0.011 0.000 1.380 83 I HN 0.213 nan 8.210 nan 0.000 0.580 84 S N 5.150 120.831 115.700 -0.031 0.000 2.537 84 S HA 0.707 5.177 4.470 -0.000 0.000 0.301 84 S C -0.498 174.066 174.600 -0.060 0.000 1.092 84 S CA -0.789 57.382 58.200 -0.048 0.000 1.048 84 S CB 2.077 65.252 63.200 -0.042 0.000 1.053 84 S HN 0.472 nan 8.310 nan 0.000 0.501 85 V N -0.614 119.252 119.914 -0.080 0.000 2.823 85 V HA 0.694 4.814 4.120 -0.000 0.000 0.312 85 V C -3.176 172.849 176.094 -0.115 0.000 1.072 85 V CA -3.151 59.098 62.300 -0.086 0.000 0.937 85 V CB 1.191 32.963 31.823 -0.085 0.000 1.013 85 V HN 0.530 nan 8.190 nan 0.000 0.430 86 P HA 0.368 nan 4.420 nan 0.000 0.268 86 P C -0.534 176.643 177.300 -0.205 0.000 1.205 86 P CA 0.054 63.067 63.100 -0.145 0.000 0.771 86 P CB 1.021 32.661 31.700 -0.100 0.000 0.858 87 V N -0.245 119.472 119.914 -0.328 0.000 2.823 87 V HA 1.002 5.122 4.120 -0.000 0.000 0.312 87 V C 0.061 175.816 176.094 -0.566 0.000 1.072 87 V CA 0.004 61.995 62.300 -0.515 0.000 0.937 87 V CB 1.245 32.580 31.823 -0.813 0.000 1.013 87 V HN 0.961 nan 8.190 nan 0.000 0.430 88 G N 3.154 111.621 108.800 -0.554 0.000 2.466 88 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.316 88 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.316 88 G C 0.200 175.048 174.900 -0.086 0.000 1.270 88 G CA -0.058 44.836 45.100 -0.343 0.000 0.982 88 G HN 0.885 nan 8.290 nan 0.000 0.506 89 R N 0.824 121.332 120.500 0.012 0.000 2.200 89 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 89 R C 1.859 178.165 176.300 0.009 0.000 1.127 89 R CA 1.850 57.958 56.100 0.012 0.000 0.989 89 R CB -0.161 30.153 30.300 0.024 0.000 0.869 89 R HN 0.745 nan 8.270 nan 0.000 0.459 90 E N -0.146 120.055 120.200 0.000 0.000 2.499 90 E HA -0.008 4.342 4.350 -0.000 0.000 0.199 90 E C 0.834 177.436 176.600 0.003 0.000 1.016 90 E CA 0.356 56.758 56.400 0.004 0.000 0.933 90 E CB 0.125 29.824 29.700 -0.002 0.000 1.050 90 E HN 0.142 nan 8.360 nan 0.000 0.462 91 T N -1.503 113.059 114.554 0.013 0.000 3.065 91 T HA 0.210 4.560 4.350 -0.000 0.000 0.252 91 T C 0.962 175.703 174.700 0.068 0.000 1.099 91 T CA -0.288 61.830 62.100 0.030 0.000 1.063 91 T CB -0.258 68.625 68.868 0.024 0.000 0.948 91 T HN 0.066 nan 8.240 nan 0.000 0.506 92 L N 1.558 122.821 121.223 0.067 0.000 2.416 92 L HA 0.501 4.841 4.340 -0.000 0.000 0.272 92 L C 1.696 178.607 176.870 0.068 0.000 1.161 92 L CA 0.622 55.496 54.840 0.057 0.000 0.845 92 L CB 0.377 42.437 42.059 0.000 0.000 1.119 92 L HN 0.499 nan 8.230 nan 0.000 0.464 93 G N 1.592 110.446 108.800 0.089 0.000 2.184 93 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.264 93 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.264 93 G C 0.286 175.268 174.900 0.137 0.000 0.975 93 G CA -0.235 44.932 45.100 0.112 0.000 0.642 93 G HN 0.464 nan 8.290 nan 0.000 0.536 94 R N -0.183 120.380 120.500 0.105 0.000 2.668 94 R HA 0.723 5.063 4.340 -0.000 0.000 0.279 94 R C 0.298 176.639 176.300 0.069 0.000 0.976 94 R CA -1.038 55.110 56.100 0.080 0.000 0.978 94 R CB 0.973 31.303 30.300 0.050 0.000 1.133 94 R HN 0.309 nan 8.270 nan 0.000 0.484 95 I N 2.752 123.334 120.570 0.020 0.000 2.354 95 I HA 0.407 4.577 4.170 -0.000 0.000 0.292 95 I C -0.132 176.007 176.117 0.036 0.000 0.989 95 I CA -0.709 60.610 61.300 0.031 0.000 1.188 95 I CB 1.093 39.045 38.000 -0.079 0.000 1.342 95 I HN 0.266 nan 8.210 nan 0.000 0.457 96 I N 5.777 126.382 120.570 0.058 0.000 2.465 96 I HA 0.264 4.434 4.170 -0.000 0.000 0.291 96 I C 0.107 176.253 176.117 0.048 0.000 1.014 96 I CA -0.328 60.991 61.300 0.032 0.000 1.093 96 I CB 1.781 39.786 38.000 0.010 0.000 1.267 96 I HN 0.678 nan 8.210 nan 0.000 0.431 97 N N 4.735 123.457 118.700 0.037 0.000 2.431 97 N HA 0.145 4.885 4.740 -0.000 0.000 0.289 97 N C 0.742 176.262 175.510 0.017 0.000 1.277 97 N CA -0.572 52.504 53.050 0.043 0.000 0.972 97 N CB 0.230 38.740 38.487 0.038 0.000 1.143 97 N HN 0.318 nan 8.380 nan 0.000 0.578 98 V N -0.413 119.511 119.914 0.016 0.000 2.515 98 V HA -0.064 4.056 4.120 -0.000 0.000 0.250 98 V C 1.592 177.677 176.094 -0.014 0.000 1.058 98 V CA 1.506 63.804 62.300 -0.002 0.000 1.064 98 V CB -0.973 30.854 31.823 0.006 0.000 0.675 98 V HN 0.671 nan 8.190 nan 0.000 0.461 99 I N -2.022 118.545 120.570 -0.006 0.000 3.735 99 I HA 0.420 4.590 4.170 -0.000 0.000 0.310 99 I C 1.499 177.604 176.117 -0.019 0.000 1.270 99 I CA 0.798 62.091 61.300 -0.011 0.000 1.207 99 I CB -0.644 37.355 38.000 -0.002 0.000 1.013 99 I HN 0.348 nan 8.210 nan 0.000 0.452 100 G N 1.143 109.930 108.800 -0.021 0.000 2.179 100 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.260 100 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.260 100 G C 0.025 174.912 174.900 -0.020 0.000 0.977 100 G CA 0.134 45.217 45.100 -0.028 0.000 0.641 100 G HN 0.634 nan 8.290 nan 0.000 0.533 101 E N 2.202 122.395 120.200 -0.012 0.000 2.360 101 E HA 0.313 4.663 4.350 -0.000 0.000 0.269 101 E C -1.973 174.625 176.600 -0.004 0.000 1.022 101 E CA -1.343 55.052 56.400 -0.008 0.000 0.887 101 E CB 0.996 30.694 29.700 -0.005 0.000 0.990 101 E HN 0.259 nan 8.360 nan 0.000 0.426 102 P HA 0.004 nan 4.420 nan 0.000 0.271 102 P C 0.174 177.469 177.300 -0.008 0.000 1.218 102 P CA 0.393 63.490 63.100 -0.004 0.000 0.780 102 P CB 0.500 32.198 31.700 -0.004 0.000 0.901 103 I N -1.489 119.071 120.570 -0.016 0.000 4.240 103 I HA 0.200 4.370 4.170 -0.000 0.000 0.331 103 I C 0.364 176.444 176.117 -0.062 0.000 1.381 103 I CA -0.153 61.129 61.300 -0.031 0.000 1.136 103 I CB -0.085 37.900 38.000 -0.026 0.000 1.137 103 I HN 0.038 nan 8.210 nan 0.000 0.411 104 D N 0.855 121.216 120.400 -0.065 0.000 2.328 104 D HA -0.029 4.611 4.640 -0.000 0.000 0.221 104 D C 0.591 176.884 176.300 -0.013 0.000 1.072 104 D CA -0.002 53.950 54.000 -0.080 0.000 0.850 104 D CB -0.236 40.509 40.800 -0.093 0.000 0.922 104 D HN 0.469 nan 8.370 nan 0.000 0.516 105 E N -0.569 119.626 120.200 -0.009 0.000 2.660 105 E HA -0.283 4.067 4.350 -0.000 0.000 0.260 105 E C 0.381 176.991 176.600 0.017 0.000 1.122 105 E CA 0.309 56.712 56.400 0.004 0.000 0.755 105 E CB -0.801 28.902 29.700 0.006 0.000 1.345 105 E HN 0.460 nan 8.360 nan 0.000 0.421 106 R N -0.079 120.434 120.500 0.021 0.000 2.334 106 R HA 0.206 4.546 4.340 -0.000 0.000 0.220 106 R C 1.153 177.463 176.300 0.018 0.000 0.917 106 R CA 0.406 56.523 56.100 0.028 0.000 1.073 106 R CB 0.668 30.994 30.300 0.043 0.000 1.056 106 R HN 0.315 nan 8.270 nan 0.000 0.506 107 G N 2.090 110.896 108.800 0.011 0.000 2.642 107 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.231 107 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.231 107 G C -2.499 172.403 174.900 0.003 0.000 1.338 107 G CA -1.112 43.991 45.100 0.006 0.000 0.883 107 G HN 0.096 nan 8.290 nan 0.000 0.570 108 P HA 0.405 nan 4.420 nan 0.000 0.267 108 P C 0.151 177.448 177.300 -0.005 0.000 1.205 108 P CA -0.117 62.980 63.100 -0.004 0.000 0.765 108 P CB 0.354 32.050 31.700 -0.006 0.000 0.828 109 I N 4.101 124.665 120.570 -0.010 0.000 2.372 109 I HA 0.019 4.189 4.170 -0.000 0.000 0.298 109 I C 0.964 177.067 176.117 -0.023 0.000 1.137 109 I CA 0.055 61.346 61.300 -0.014 0.000 1.314 109 I CB -0.122 37.867 38.000 -0.020 0.000 1.444 109 I HN 0.117 nan 8.210 nan 0.000 0.541 110 K N 5.490 125.880 120.400 -0.017 0.000 2.408 110 K HA 0.077 4.397 4.320 -0.000 0.000 0.231 110 K C 0.259 176.841 176.600 -0.031 0.000 1.261 110 K CA -0.165 56.110 56.287 -0.020 0.000 1.193 110 K CB -0.356 32.138 32.500 -0.010 0.000 1.431 110 K HN 0.603 nan 8.250 nan 0.000 0.243 111 S N 0.063 115.734 115.700 -0.048 0.000 2.508 111 S HA 0.221 4.691 4.470 -0.000 0.000 0.284 111 S C 0.900 175.454 174.600 -0.076 0.000 1.192 111 S CA -0.960 57.196 58.200 -0.075 0.000 1.070 111 S CB 1.782 64.917 63.200 -0.109 0.000 1.004 111 S HN 0.310 nan 8.310 nan 0.000 0.493 112 K N 1.257 121.610 120.400 -0.078 0.000 2.211 112 K HA 0.090 4.410 4.320 -0.000 0.000 0.203 112 K C 0.075 176.623 176.600 -0.087 0.000 1.050 112 K CA 0.928 57.176 56.287 -0.065 0.000 0.945 112 K CB -0.433 32.041 32.500 -0.043 0.000 0.732 112 K HN 0.530 nan 8.250 nan 0.000 0.451 113 L N -0.142 120.995 121.223 -0.144 0.000 2.327 113 L HA 0.400 4.740 4.340 -0.000 0.000 0.258 113 L C -0.674 176.086 176.870 -0.184 0.000 1.024 113 L CA -0.923 53.816 54.840 -0.167 0.000 0.825 113 L CB 2.252 44.168 42.059 -0.238 0.000 1.386 113 L HN -0.161 nan 8.230 nan 0.000 0.417 114 R N 1.412 121.821 120.500 -0.151 0.000 2.518 114 R HA 0.432 4.772 4.340 -0.000 0.000 0.296 114 R C -1.303 174.924 176.300 -0.121 0.000 1.080 114 R CA -0.847 55.171 56.100 -0.136 0.000 0.922 114 R CB 2.177 32.422 30.300 -0.090 0.000 1.184 114 R HN 0.432 nan 8.270 nan 0.000 0.445 115 K N 3.270 123.587 120.400 -0.139 0.000 2.098 115 K HA 0.425 4.744 4.320 -0.000 0.000 0.258 115 K C -2.197 174.358 176.600 -0.075 0.000 0.973 115 K CA -2.015 54.212 56.287 -0.100 0.000 0.898 115 K CB 1.397 33.832 32.500 -0.108 0.000 1.057 115 K HN 0.240 nan 8.250 nan 0.000 0.447 116 P HA 0.015 nan 4.420 nan 0.000 0.272 116 P C 0.349 177.606 177.300 -0.073 0.000 1.230 116 P CA 0.072 63.149 63.100 -0.039 0.000 0.788 116 P CB 0.402 32.106 31.700 0.005 0.000 0.949 117 I N -2.714 117.773 120.570 -0.137 0.000 3.793 117 I HA 0.191 4.361 4.170 -0.000 0.000 0.315 117 I C 0.249 176.181 176.117 -0.309 0.000 1.275 117 I CA 0.211 61.374 61.300 -0.228 0.000 1.214 117 I CB -0.469 37.360 38.000 -0.284 0.000 1.018 117 I HN 0.144 nan 8.210 nan 0.000 0.439 118 H N 2.837 121.898 119.070 -0.016 0.000 2.541 118 H HA 0.796 5.352 4.556 -0.000 0.000 0.316 118 H C -0.564 174.755 175.328 -0.014 0.000 1.043 118 H CA -0.425 55.616 56.048 -0.012 0.000 1.232 118 H CB 1.605 31.363 29.762 -0.005 0.000 1.406 118 H HN 0.411 nan 8.280 nan 0.000 0.469 119 A N 3.338 126.215 122.820 0.095 0.000 2.572 119 A HA 0.366 4.686 4.320 -0.000 0.000 0.295 119 A C -0.878 176.729 177.584 0.039 0.000 1.072 119 A CA -0.955 51.111 52.037 0.047 0.000 0.691 119 A CB 1.502 20.512 19.000 0.017 0.000 1.291 119 A HN 0.486 nan 8.150 nan 0.000 0.404 120 D N 2.015 122.431 120.400 0.027 0.000 2.345 120 D HA 0.479 5.119 4.640 -0.000 0.000 0.247 120 D C -2.163 174.145 176.300 0.015 0.000 1.108 120 D CA -0.532 53.480 54.000 0.021 0.000 0.894 120 D CB 0.500 41.311 40.800 0.018 0.000 1.203 120 D HN 0.212 nan 8.370 nan 0.000 0.430 121 P HA 0.153 nan 4.420 nan 0.000 0.269 121 P C -2.447 174.862 177.300 0.015 0.000 1.217 121 P CA -0.775 62.332 63.100 0.011 0.000 0.783 121 P CB -0.214 31.498 31.700 0.020 0.000 0.898 122 P HA 0.051 nan 4.420 nan 0.000 0.268 122 P C -0.139 177.177 177.300 0.027 0.000 1.205 122 P CA -0.022 63.083 63.100 0.008 0.000 0.771 122 P CB 0.202 31.898 31.700 -0.007 0.000 0.858 123 S N 2.247 117.967 115.700 0.033 0.000 2.587 123 S HA 0.015 4.485 4.470 -0.000 0.000 0.260 123 S C 0.963 175.618 174.600 0.091 0.000 1.353 123 S CA -0.420 57.822 58.200 0.070 0.000 0.995 123 S CB -0.083 63.156 63.200 0.066 0.000 0.912 123 S HN 0.453 nan 8.310 nan 0.000 0.568 124 F N 1.689 121.640 119.950 0.003 0.000 2.126 124 F HA -0.048 4.479 4.527 -0.000 0.000 0.299 124 F C 2.424 178.224 175.800 0.001 0.000 1.096 124 F CA 1.634 59.635 58.000 0.002 0.000 1.255 124 F CB -1.041 37.960 39.000 0.002 0.000 0.997 124 F HN 0.706 nan 8.300 nan 0.000 0.479 125 A N -0.147 122.705 122.820 0.052 0.000 2.084 125 A HA -0.243 4.077 4.320 -0.000 0.000 0.221 125 A C 2.000 179.502 177.584 -0.137 0.000 1.161 125 A CA 2.057 54.063 52.037 -0.052 0.000 0.653 125 A CB -0.832 18.201 19.000 0.055 0.000 0.802 125 A HN 0.655 nan 8.150 nan 0.000 0.457 126 E N -0.467 119.664 120.200 -0.116 0.000 2.474 126 E HA 0.018 4.368 4.350 -0.000 0.000 0.195 126 E C 0.018 176.544 176.600 -0.123 0.000 1.039 126 E CA -0.328 56.016 56.400 -0.093 0.000 0.881 126 E CB 0.145 29.817 29.700 -0.047 0.000 0.970 126 E HN 0.558 nan 8.360 nan 0.000 0.486 127 Q N 0.499 120.177 119.800 -0.203 0.000 2.454 127 Q HA 0.157 4.497 4.340 -0.000 0.000 0.247 127 Q C -0.237 175.671 176.000 -0.154 0.000 1.028 127 Q CA 0.349 56.040 55.803 -0.185 0.000 0.910 127 Q CB 1.591 30.171 28.738 -0.265 0.000 1.276 127 Q HN -0.054 nan 8.270 nan 0.000 0.489 128 S N 0.531 116.168 115.700 -0.105 0.000 2.680 128 S HA 0.326 4.796 4.470 -0.000 0.000 0.262 128 S C -1.132 173.434 174.600 -0.057 0.000 1.138 128 S CA -0.651 57.502 58.200 -0.078 0.000 1.072 128 S CB 0.441 63.605 63.200 -0.059 0.000 1.097 128 S HN 0.551 nan 8.310 nan 0.000 0.468 129 T N 1.897 116.419 114.554 -0.053 0.000 2.749 129 T HA 0.711 5.061 4.350 -0.000 0.000 0.287 129 T C -0.198 174.488 174.700 -0.024 0.000 0.970 129 T CA -0.688 61.391 62.100 -0.034 0.000 0.980 129 T CB 1.040 69.890 68.868 -0.030 0.000 0.924 129 T HN 0.739 nan 8.240 nan 0.000 0.456 130 S N 1.312 117.002 115.700 -0.015 0.000 2.733 130 S HA 0.641 5.111 4.470 -0.000 0.000 0.294 130 S C 0.166 174.766 174.600 -0.001 0.000 1.149 130 S CA -0.969 57.225 58.200 -0.010 0.000 1.034 130 S CB 1.453 64.647 63.200 -0.011 0.000 1.015 130 S HN 1.074 nan 8.310 nan 0.000 0.486 131 A N 1.840 124.661 122.820 0.001 0.000 2.929 131 A HA 0.459 4.778 4.320 -0.000 0.000 0.279 131 A C 0.309 177.900 177.584 0.011 0.000 1.418 131 A CA -0.369 51.672 52.037 0.008 0.000 1.035 131 A CB -0.527 18.475 19.000 0.004 0.000 1.047 131 A HN 0.786 nan 8.150 nan 0.000 0.609 132 E N 0.251 120.460 120.200 0.014 0.000 2.316 132 E HA 0.320 4.670 4.350 -0.000 0.000 0.275 132 E C -0.301 176.319 176.600 0.033 0.000 1.029 132 E CA -0.008 56.403 56.400 0.018 0.000 0.871 132 E CB 0.806 30.514 29.700 0.014 0.000 1.022 132 E HN 0.544 nan 8.360 nan 0.000 0.418 133 I N 5.432 126.023 120.570 0.035 0.000 2.301 133 I HA 0.161 4.331 4.170 -0.000 0.000 0.292 133 I C -1.067 175.089 176.117 0.066 0.000 1.046 133 I CA -0.930 60.400 61.300 0.050 0.000 1.282 133 I CB 0.401 38.422 38.000 0.035 0.000 1.409 133 I HN 0.390 nan 8.210 nan 0.000 0.484 134 L N 8.485 129.767 121.223 0.098 0.000 2.325 134 L HA 0.328 4.668 4.340 -0.000 0.000 0.284 134 L C 0.025 176.961 176.870 0.110 0.000 1.089 134 L CA 0.338 55.249 54.840 0.118 0.000 0.836 134 L CB 0.597 42.751 42.059 0.158 0.000 1.184 134 L HN 0.636 nan 8.230 nan 0.000 0.444 135 E N 2.421 122.668 120.200 0.078 0.000 2.289 135 E HA 0.131 4.481 4.350 -0.000 0.000 0.278 135 E C 0.256 176.886 176.600 0.051 0.000 1.032 135 E CA 0.418 56.849 56.400 0.051 0.000 0.854 135 E CB 0.934 30.661 29.700 0.044 0.000 1.046 135 E HN 0.799 nan 8.360 nan 0.000 0.409 136 T N 0.565 115.128 114.554 0.014 0.000 3.040 136 T HA 0.238 4.588 4.350 -0.000 0.000 0.266 136 T C 1.257 175.942 174.700 -0.025 0.000 1.005 136 T CA 0.508 62.615 62.100 0.012 0.000 0.906 136 T CB 0.347 69.212 68.868 -0.005 0.000 1.082 136 T HN 0.666 nan 8.240 nan 0.000 0.531 137 G N 2.029 110.819 108.800 -0.017 0.000 2.180 137 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.263 137 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.263 137 G C 0.057 174.950 174.900 -0.011 0.000 0.989 137 G CA 0.540 45.631 45.100 -0.014 0.000 0.692 137 G HN 0.717 nan 8.290 nan 0.000 0.526 138 I N 0.291 120.847 120.570 -0.024 0.000 2.306 138 I HA 0.227 4.397 4.170 -0.000 0.000 0.288 138 I C 1.611 177.741 176.117 0.022 0.000 1.036 138 I CA -0.806 60.514 61.300 0.033 0.000 1.221 138 I CB 1.211 39.218 38.000 0.013 0.000 1.385 138 I HN -0.040 nan 8.210 nan 0.000 0.472 139 K N 3.178 123.592 120.400 0.022 0.000 2.097 139 K HA -0.231 4.089 4.320 -0.000 0.000 0.214 139 K C 1.809 178.348 176.600 -0.102 0.000 1.052 139 K CA 1.658 57.918 56.287 -0.045 0.000 0.932 139 K CB -0.064 32.408 32.500 -0.046 0.000 0.716 139 K HN 0.575 nan 8.250 nan 0.000 0.455 140 V N 0.582 120.477 119.914 -0.031 0.000 2.591 140 V HA -0.145 3.975 4.120 -0.000 0.000 0.249 140 V C 1.937 178.007 176.094 -0.039 0.000 1.053 140 V CA 1.199 63.470 62.300 -0.048 0.000 1.068 140 V CB 0.207 32.061 31.823 0.052 0.000 0.689 140 V HN 0.116 nan 8.190 nan 0.000 0.462 141 V N 0.312 120.219 119.914 -0.011 0.000 2.255 141 V HA -0.146 3.974 4.120 -0.000 0.000 0.243 141 V C 2.290 178.299 176.094 -0.142 0.000 1.038 141 V CA 2.316 64.546 62.300 -0.116 0.000 1.008 141 V CB -0.732 30.931 31.823 -0.267 0.000 0.645 141 V HN 0.527 nan 8.190 nan 0.000 0.449 142 D N -0.176 120.156 120.400 -0.113 0.000 2.263 142 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 142 D C 1.752 178.078 176.300 0.043 0.000 0.971 142 D CA 0.896 54.870 54.000 -0.044 0.000 0.867 142 D CB -0.067 40.715 40.800 -0.029 0.000 0.929 142 D HN 0.348 nan 8.370 nan 0.000 0.492 143 L N -0.570 120.621 121.223 -0.053 0.000 2.130 143 L HA 0.098 4.438 4.340 -0.000 0.000 0.200 143 L C 1.668 178.569 176.870 0.052 0.000 1.075 143 L CA 1.364 56.168 54.840 -0.061 0.000 0.768 143 L CB -0.024 41.807 42.059 -0.380 0.000 0.933 143 L HN -0.049 nan 8.230 nan 0.000 0.451 144 L N -0.947 120.244 121.223 -0.053 0.000 2.609 144 L HA 0.452 4.792 4.340 -0.000 0.000 0.230 144 L C 0.566 177.416 176.870 -0.034 0.000 1.087 144 L CA 0.408 55.214 54.840 -0.057 0.000 0.874 144 L CB 0.085 42.092 42.059 -0.087 0.000 1.114 144 L HN 0.210 nan 8.230 nan 0.000 0.488 145 A N 0.111 122.918 122.820 -0.021 0.000 3.464 145 A HA 0.493 4.813 4.320 -0.000 0.000 0.243 145 A C -2.701 174.893 177.584 0.017 0.000 1.100 145 A CA -0.748 51.298 52.037 0.016 0.000 0.957 145 A CB -0.226 18.807 19.000 0.054 0.000 1.340 145 A HN -0.150 nan 8.150 nan 0.000 0.645 146 P HA 0.145 nan 4.420 nan 0.000 0.266 146 P C -0.461 176.923 177.300 0.139 0.000 1.193 146 P CA 0.541 63.634 63.100 -0.011 0.000 0.770 146 P CB 0.248 31.943 31.700 -0.008 0.000 0.836 147 Y N 0.756 121.089 120.300 0.055 0.000 2.298 147 Y HA 0.478 5.028 4.550 -0.000 0.000 0.329 147 Y C 0.934 176.854 175.900 0.033 0.000 1.293 147 Y CA -1.571 56.558 58.100 0.049 0.000 1.388 147 Y CB 0.056 38.554 38.460 0.063 0.000 1.309 147 Y HN 0.308 nan 8.280 nan 0.000 0.544 148 A N 2.966 125.900 122.820 0.189 0.000 2.291 148 A HA 0.513 4.833 4.320 -0.000 0.000 0.311 148 A C -0.042 177.581 177.584 0.064 0.000 1.224 148 A CA -0.963 51.132 52.037 0.095 0.000 0.821 148 A CB 0.326 19.360 19.000 0.058 0.000 1.172 148 A HN 0.809 nan 8.150 nan 0.000 0.494 149 R N 1.348 121.888 120.500 0.067 0.000 2.480 149 R HA 0.288 4.628 4.340 -0.000 0.000 0.303 149 R C 1.346 177.662 176.300 0.028 0.000 0.985 149 R CA 1.788 57.921 56.100 0.056 0.000 1.051 149 R CB 0.124 30.458 30.300 0.057 0.000 0.935 149 R HN 1.661 nan 8.270 nan 0.000 0.410 150 G N 1.958 110.767 108.800 0.016 0.000 2.159 150 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.256 150 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.256 150 G C 0.273 175.158 174.900 -0.025 0.000 0.977 150 G CA -0.123 44.974 45.100 -0.005 0.000 0.652 150 G HN 0.892 nan 8.290 nan 0.000 0.531 151 G N -0.687 108.094 108.800 -0.032 0.000 2.509 151 G HA2 0.646 4.606 3.960 -0.000 0.000 0.328 151 G HA3 0.646 4.606 3.960 -0.000 0.000 0.328 151 G C -0.246 174.604 174.900 -0.083 0.000 1.194 151 G CA -0.806 44.270 45.100 -0.040 0.000 0.967 151 G HN 0.351 nan 8.290 nan 0.000 0.488 152 K N -0.180 120.176 120.400 -0.073 0.000 2.172 152 K HA 0.542 4.862 4.320 -0.000 0.000 0.276 152 K C -0.974 175.551 176.600 -0.125 0.000 1.013 152 K CA -0.228 55.998 56.287 -0.102 0.000 0.913 152 K CB 1.995 34.460 32.500 -0.058 0.000 1.055 152 K HN 0.254 nan 8.250 nan 0.000 0.461 153 I N 1.222 121.672 120.570 -0.201 0.000 2.512 153 I HA 0.244 4.414 4.170 -0.000 0.000 0.287 153 I C -0.105 175.871 176.117 -0.235 0.000 1.069 153 I CA -0.691 60.436 61.300 -0.289 0.000 1.056 153 I CB 2.248 39.888 38.000 -0.600 0.000 1.229 153 I HN 0.681 nan 8.210 nan 0.000 0.429 154 G N 6.721 115.444 108.800 -0.129 0.000 2.379 154 G HA2 0.733 4.693 3.960 -0.000 0.000 0.327 154 G HA3 0.733 4.693 3.960 -0.000 0.000 0.327 154 G C -0.820 174.023 174.900 -0.094 0.000 1.145 154 G CA -0.520 44.484 45.100 -0.160 0.000 0.905 154 G HN 0.465 nan 8.290 nan 0.000 0.466 155 L N 2.249 123.348 121.223 -0.206 0.000 2.301 155 L HA 0.393 4.733 4.340 -0.000 0.000 0.278 155 L C -0.832 175.932 176.870 -0.177 0.000 1.022 155 L CA -0.601 54.155 54.840 -0.140 0.000 0.854 155 L CB 0.802 42.761 42.059 -0.165 0.000 1.226 155 L HN 0.317 nan 8.230 nan 0.000 0.429 156 F N 1.380 121.253 119.950 -0.128 0.000 2.396 156 F HA 0.717 5.244 4.527 0.000 0.000 0.343 156 F C 1.017 176.770 175.800 -0.079 0.000 1.104 156 F CA -0.258 57.667 58.000 -0.126 0.000 1.161 156 F CB 1.848 40.763 39.000 -0.141 0.000 1.146 156 F HN 0.412 nan 8.300 nan 0.000 0.522 157 G N 0.973 109.806 108.800 0.054 0.000 2.733 157 G HA2 0.485 4.444 3.960 -0.000 0.000 0.297 157 G HA3 0.485 4.444 3.960 -0.000 0.000 0.297 157 G C -0.677 174.167 174.900 -0.094 0.000 1.452 157 G CA -0.503 44.609 45.100 0.020 0.000 0.940 157 G HN 0.908 nan 8.290 nan 0.000 0.547 158 G N -0.258 108.494 108.800 -0.079 0.000 2.667 158 G HA2 0.620 4.580 3.960 -0.000 0.000 0.250 158 G HA3 0.620 4.580 3.960 -0.000 0.000 0.250 158 G C 0.819 175.733 174.900 0.023 0.000 1.212 158 G CA 0.471 45.489 45.100 -0.138 0.000 0.874 158 G HN 1.658 nan 8.290 nan 0.000 0.561 159 A N -0.780 122.132 122.820 0.154 0.000 2.520 159 A HA 0.518 4.838 4.320 -0.000 0.000 0.245 159 A C 1.621 179.305 177.584 0.166 0.000 1.072 159 A CA 1.179 53.411 52.037 0.325 0.000 0.761 159 A CB -0.405 18.806 19.000 0.351 0.000 1.004 159 A HN 2.605 nan 8.150 nan 0.000 0.499 160 G N 0.501 109.391 108.800 0.149 0.000 2.179 160 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.260 160 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.260 160 G C 0.871 175.844 174.900 0.122 0.000 0.977 160 G CA 0.850 46.013 45.100 0.105 0.000 0.641 160 G HN 2.188 nan 8.290 nan 0.000 0.533 161 V N -2.915 117.082 119.914 0.139 0.000 3.354 161 V HA 0.638 4.758 4.120 -0.000 0.000 0.258 161 V C 1.698 177.937 176.094 0.241 0.000 1.159 161 V CA 1.693 64.096 62.300 0.172 0.000 1.125 161 V CB 0.375 32.268 31.823 0.117 0.000 0.774 161 V HN 2.126 nan 8.190 nan 0.000 0.464 162 G N 0.127 109.050 108.800 0.206 0.000 2.276 162 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.177 162 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.177 162 G C 0.538 175.609 174.900 0.286 0.000 1.017 162 G CA 0.147 45.395 45.100 0.246 0.000 0.750 162 G HN 0.426 nan 8.290 nan 0.000 0.506 163 K N 0.077 120.606 120.400 0.215 0.000 2.032 163 K HA -0.078 4.242 4.320 -0.000 0.000 0.209 163 K C 2.512 179.264 176.600 0.253 0.000 1.048 163 K CA 2.002 58.408 56.287 0.199 0.000 0.927 163 K CB -0.297 32.282 32.500 0.133 0.000 0.712 163 K HN 0.268 nan 8.250 nan 0.000 0.441 164 T N 1.094 115.780 114.554 0.219 0.000 2.737 164 T HA -0.097 4.253 4.350 -0.000 0.000 0.265 164 T C 2.056 176.897 174.700 0.234 0.000 1.038 164 T CA 1.247 63.479 62.100 0.220 0.000 1.144 164 T CB -0.205 68.776 68.868 0.189 0.000 0.866 164 T HN -0.053 nan 8.240 nan 0.000 0.434 165 V N 0.926 120.984 119.914 0.240 0.000 2.392 165 V HA -0.162 3.958 4.120 -0.000 0.000 0.249 165 V C 1.998 178.256 176.094 0.273 0.000 1.059 165 V CA 1.606 64.060 62.300 0.257 0.000 1.051 165 V CB -0.736 31.239 31.823 0.254 0.000 0.658 165 V HN 0.371 nan 8.190 nan 0.000 0.455 166 F N 0.004 120.081 119.950 0.212 0.000 2.084 166 F HA -0.110 4.417 4.527 -0.000 0.000 0.296 166 F C 2.166 178.021 175.800 0.092 0.000 1.111 166 F CA 1.580 59.693 58.000 0.188 0.000 1.224 166 F CB -0.227 38.921 39.000 0.246 0.000 0.991 166 F HN -0.006 nan 8.300 nan 0.000 0.471 167 I N -0.097 120.711 120.570 0.397 0.000 2.264 167 I HA -0.361 3.809 4.170 -0.000 0.000 0.248 167 I C 2.251 178.425 176.117 0.095 0.000 1.111 167 I CA 1.459 62.923 61.300 0.274 0.000 1.382 167 I CB -0.377 37.781 38.000 0.263 0.000 1.060 167 I HN 0.302 nan 8.210 nan 0.000 0.418 168 Q N -0.307 119.537 119.800 0.075 0.000 2.172 168 Q HA -0.246 4.094 4.340 -0.000 0.000 0.200 168 Q C 1.947 177.885 176.000 -0.102 0.000 0.964 168 Q CA 1.223 57.015 55.803 -0.017 0.000 0.855 168 Q CB 0.011 28.769 28.738 0.034 0.000 0.918 168 Q HN 0.361 nan 8.270 nan 0.000 0.444 169 E N 0.765 120.853 120.200 -0.188 0.000 2.216 169 E HA -0.062 4.288 4.350 -0.000 0.000 0.192 169 E C 1.676 178.091 176.600 -0.308 0.000 0.988 169 E CA 0.510 56.669 56.400 -0.403 0.000 0.834 169 E CB 0.017 29.099 29.700 -1.032 0.000 0.772 169 E HN 0.254 nan 8.360 nan 0.000 0.479 170 L N -0.036 121.094 121.223 -0.155 0.000 2.023 170 L HA -0.089 4.251 4.340 -0.000 0.000 0.205 170 L C 2.388 179.278 176.870 0.034 0.000 1.073 170 L CA 1.001 55.859 54.840 0.031 0.000 0.745 170 L CB -0.438 41.786 42.059 0.274 0.000 0.900 170 L HN 0.182 nan 8.230 nan 0.000 0.435 171 I N 0.226 120.731 120.570 -0.108 0.000 2.113 171 I HA -0.385 3.785 4.170 -0.000 0.000 0.242 171 I C 2.301 178.356 176.117 -0.104 0.000 1.064 171 I CA 1.741 62.891 61.300 -0.250 0.000 1.320 171 I CB -0.458 37.286 38.000 -0.428 0.000 1.028 171 I HN 0.343 nan 8.210 nan 0.000 0.406 172 N N 0.852 119.486 118.700 -0.110 0.000 2.061 172 N HA -0.194 4.546 4.740 -0.000 0.000 0.193 172 N C 1.545 177.023 175.510 -0.053 0.000 1.030 172 N CA 1.750 54.749 53.050 -0.085 0.000 0.856 172 N CB -0.106 38.319 38.487 -0.104 0.000 1.023 172 N HN 0.289 nan 8.380 nan 0.000 0.424 173 N N -0.251 118.415 118.700 -0.057 0.000 2.173 173 N HA -0.008 4.732 4.740 -0.000 0.000 0.184 173 N C 1.486 177.013 175.510 0.029 0.000 1.025 173 N CA 0.788 53.822 53.050 -0.027 0.000 0.852 173 N CB -0.170 38.284 38.487 -0.055 0.000 0.998 173 N HN 0.248 nan 8.380 nan 0.000 0.427 174 I N 1.271 121.885 120.570 0.073 0.000 2.296 174 I HA 0.051 4.221 4.170 -0.000 0.000 0.242 174 I C 2.391 178.600 176.117 0.153 0.000 1.087 174 I CA 0.439 61.819 61.300 0.133 0.000 1.393 174 I CB -1.742 36.373 38.000 0.191 0.000 1.093 174 I HN -0.048 nan 8.210 nan 0.000 0.421 175 A N 1.604 124.520 122.820 0.159 0.000 1.870 175 A HA -0.340 3.980 4.320 -0.000 0.000 0.219 175 A C 2.487 180.151 177.584 0.134 0.000 1.224 175 A CA 2.857 54.993 52.037 0.166 0.000 0.650 175 A CB -0.945 18.116 19.000 0.103 0.000 0.836 175 A HN 0.430 nan 8.150 nan 0.000 0.454 176 K N -0.798 119.649 120.400 0.079 0.000 1.985 176 K HA -0.092 4.228 4.320 -0.000 0.000 0.210 176 K C 2.241 178.878 176.600 0.062 0.000 1.047 176 K CA 1.429 57.750 56.287 0.057 0.000 0.932 176 K CB -0.443 32.073 32.500 0.026 0.000 0.716 176 K HN 0.390 nan 8.250 nan 0.000 0.439 177 A N 0.981 123.838 122.820 0.062 0.000 1.958 177 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 177 A C 0.995 178.613 177.584 0.056 0.000 1.178 177 A CA 1.500 53.567 52.037 0.049 0.000 0.642 177 A CB -1.059 17.971 19.000 0.051 0.000 0.816 177 A HN 0.671 nan 8.150 nan 0.000 0.453 178 H N -1.429 117.645 119.070 0.006 0.000 2.852 178 H HA 0.332 4.888 4.556 -0.000 0.000 0.362 178 H C 1.567 176.865 175.328 -0.049 0.000 1.122 178 H CA 0.650 56.692 56.048 -0.010 0.000 1.419 178 H CB 0.803 30.573 29.762 0.013 0.000 1.401 178 H HN 0.080 nan 8.280 nan 0.000 0.609 179 G N 2.554 110.963 108.800 -0.651 0.000 2.402 179 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.216 179 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.216 179 G C 0.960 175.693 174.900 -0.278 0.000 1.162 179 G CA 0.559 45.422 45.100 -0.395 0.000 0.777 179 G HN 0.776 nan 8.290 nan 0.000 0.539 180 G N -0.561 108.127 108.800 -0.186 0.000 3.227 180 G HA2 0.505 4.465 3.960 -0.000 0.000 0.171 180 G HA3 0.505 4.465 3.960 -0.000 0.000 0.171 180 G C -0.502 174.123 174.900 -0.458 0.000 1.463 180 G CA -0.732 44.145 45.100 -0.372 0.000 1.016 180 G HN 0.089 nan 8.290 nan 0.000 0.594 181 F N -0.366 119.519 119.950 -0.109 0.000 2.525 181 F HA 0.712 5.239 4.527 -0.000 0.000 0.346 181 F C 0.486 176.177 175.800 -0.182 0.000 1.072 181 F CA -0.775 57.077 58.000 -0.247 0.000 1.033 181 F CB 1.835 40.413 39.000 -0.703 0.000 1.324 181 F HN 0.209 nan 8.300 nan 0.000 0.491 182 S N -0.216 115.522 115.700 0.063 0.000 2.549 182 S HA 0.727 5.197 4.470 -0.000 0.000 0.280 182 S C -1.404 173.250 174.600 0.090 0.000 1.109 182 S CA -0.823 57.422 58.200 0.075 0.000 0.905 182 S CB 2.068 65.386 63.200 0.196 0.000 1.081 182 S HN 0.305 nan 8.310 nan 0.000 0.477 183 V N 2.690 122.670 119.914 0.110 0.000 2.495 183 V HA 0.546 4.666 4.120 -0.000 0.000 0.298 183 V C -1.254 174.954 176.094 0.190 0.000 1.031 183 V CA -0.615 61.764 62.300 0.131 0.000 0.871 183 V CB 1.274 33.152 31.823 0.092 0.000 0.988 183 V HN 0.843 nan 8.190 nan 0.000 0.432 184 F N 3.702 123.678 119.950 0.043 0.000 2.426 184 F HA 0.625 5.152 4.527 -0.000 0.000 0.348 184 F C 0.307 175.998 175.800 -0.181 0.000 1.124 184 F CA -0.220 57.789 58.000 0.015 0.000 1.008 184 F CB 1.561 40.557 39.000 -0.008 0.000 1.139 184 F HN 0.465 nan 8.300 nan 0.000 0.452 185 T N 5.143 119.474 114.554 -0.373 0.000 2.770 185 T HA 0.463 4.813 4.350 -0.000 0.000 0.297 185 T C 0.273 174.761 174.700 -0.354 0.000 0.997 185 T CA -0.577 61.334 62.100 -0.315 0.000 0.949 185 T CB 0.965 69.693 68.868 -0.234 0.000 0.941 185 T HN 0.868 nan 8.240 nan 0.000 0.457 186 G N 2.313 110.967 108.800 -0.244 0.000 2.356 186 G HA2 0.499 4.459 3.960 -0.000 0.000 0.300 186 G HA3 0.499 4.459 3.960 -0.000 0.000 0.300 186 G C -0.488 174.464 174.900 0.087 0.000 1.107 186 G CA -0.325 44.846 45.100 0.118 0.000 0.960 186 G HN 0.647 nan 8.290 nan 0.000 0.418 187 V N 2.567 122.519 119.914 0.063 0.000 2.409 187 V HA 0.612 4.732 4.120 -0.000 0.000 0.291 187 V C 1.104 177.246 176.094 0.080 0.000 1.020 187 V CA 0.256 62.588 62.300 0.054 0.000 0.848 187 V CB 1.095 32.923 31.823 0.008 0.000 0.990 187 V HN 1.333 nan 8.190 nan 0.000 0.430 188 G N 3.366 112.215 108.800 0.081 0.000 2.379 188 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.297 188 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.297 188 G C 0.156 175.093 174.900 0.062 0.000 1.004 188 G CA 0.581 45.715 45.100 0.057 0.000 0.921 188 G HN 0.611 nan 8.290 nan 0.000 0.511 189 E N -0.922 119.340 120.200 0.104 0.000 2.568 189 E HA 0.454 4.804 4.350 -0.000 0.000 0.242 189 E C 0.789 177.444 176.600 0.091 0.000 0.945 189 E CA -1.052 55.410 56.400 0.103 0.000 0.918 189 E CB 0.651 30.445 29.700 0.155 0.000 1.386 189 E HN 0.356 nan 8.360 nan 0.000 0.426 190 R N 0.383 120.934 120.500 0.085 0.000 2.370 190 R HA 0.158 4.498 4.340 -0.000 0.000 0.309 190 R C 1.151 177.472 176.300 0.033 0.000 1.059 190 R CA 0.136 56.268 56.100 0.053 0.000 0.981 190 R CB 0.221 30.551 30.300 0.051 0.000 0.972 190 R HN 0.425 nan 8.270 nan 0.000 0.437 191 T N 2.285 116.837 114.554 -0.004 0.000 2.699 191 T HA -0.243 4.107 4.350 -0.000 0.000 0.268 191 T C 1.774 176.410 174.700 -0.105 0.000 1.036 191 T CA 1.392 63.446 62.100 -0.076 0.000 1.147 191 T CB -0.166 68.661 68.868 -0.068 0.000 0.862 191 T HN 0.572 nan 8.240 nan 0.000 0.446 192 R N 1.100 121.571 120.500 -0.049 0.000 2.133 192 R HA -0.207 4.133 4.340 -0.000 0.000 0.247 192 R C 2.119 178.398 176.300 -0.036 0.000 1.151 192 R CA 1.974 58.053 56.100 -0.035 0.000 0.971 192 R CB -0.182 30.118 30.300 -0.001 0.000 0.866 192 R HN 0.534 nan 8.270 nan 0.000 0.447 193 E N -1.199 118.994 120.200 -0.013 0.000 2.107 193 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 193 E C 1.891 178.462 176.600 -0.048 0.000 0.982 193 E CA 0.849 57.257 56.400 0.013 0.000 0.809 193 E CB -0.159 29.593 29.700 0.086 0.000 0.756 193 E HN 0.581 nan 8.360 nan 0.000 0.459 194 G N 1.459 110.161 108.800 -0.164 0.000 2.480 194 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.216 194 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.216 194 G C 1.418 176.098 174.900 -0.368 0.000 1.200 194 G CA 1.266 46.037 45.100 -0.549 0.000 0.782 194 G HN 0.238 nan 8.290 nan 0.000 0.554 195 N N 0.559 119.105 118.700 -0.256 0.000 2.104 195 N HA -0.122 4.618 4.740 -0.000 0.000 0.190 195 N C 1.681 177.178 175.510 -0.022 0.000 1.024 195 N CA 1.771 54.762 53.050 -0.098 0.000 0.853 195 N CB -0.158 38.283 38.487 -0.077 0.000 1.008 195 N HN 0.189 nan 8.380 nan 0.000 0.424 196 D N -0.333 120.041 120.400 -0.043 0.000 2.178 196 D HA -0.105 4.535 4.640 -0.000 0.000 0.202 196 D C 1.781 178.059 176.300 -0.036 0.000 0.974 196 D CA 0.432 54.415 54.000 -0.028 0.000 0.841 196 D CB -0.255 40.536 40.800 -0.015 0.000 0.953 196 D HN 0.254 nan 8.370 nan 0.000 0.478 197 L N -0.340 120.851 121.223 -0.052 0.000 2.044 197 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 197 L C 2.103 178.971 176.870 -0.004 0.000 1.075 197 L CA 1.382 56.173 54.840 -0.082 0.000 0.747 197 L CB -0.692 41.253 42.059 -0.190 0.000 0.903 197 L HN 0.003 nan 8.230 nan 0.000 0.435 198 Y N 0.530 120.765 120.300 -0.109 0.000 2.128 198 Y HA -0.284 4.266 4.550 -0.000 0.000 0.284 198 Y C 2.913 178.776 175.900 -0.062 0.000 1.154 198 Y CA 2.222 60.280 58.100 -0.070 0.000 1.149 198 Y CB -0.353 38.059 38.460 -0.080 0.000 0.976 198 Y HN 0.205 nan 8.280 nan 0.000 0.505 199 R N 0.046 120.500 120.500 -0.077 0.000 2.075 199 R HA -0.205 4.135 4.340 -0.000 0.000 0.232 199 R C 2.264 178.482 176.300 -0.137 0.000 1.126 199 R CA 1.782 57.788 56.100 -0.157 0.000 0.963 199 R CB -0.309 29.942 30.300 -0.083 0.000 0.858 199 R HN 0.405 nan 8.270 nan 0.000 0.435 200 E N 0.312 120.456 120.200 -0.093 0.000 2.038 200 E HA -0.205 4.145 4.350 -0.000 0.000 0.195 200 E C 1.950 178.495 176.600 -0.091 0.000 1.000 200 E CA 1.716 58.065 56.400 -0.085 0.000 0.803 200 E CB -0.084 29.570 29.700 -0.075 0.000 0.750 200 E HN 0.165 nan 8.360 nan 0.000 0.448 201 M N 0.624 120.172 119.600 -0.087 0.000 2.146 201 M HA -0.230 4.250 4.480 -0.000 0.000 0.256 201 M C 1.940 178.189 176.300 -0.086 0.000 1.075 201 M CA 1.783 57.042 55.300 -0.068 0.000 1.082 201 M CB -0.800 31.789 32.600 -0.018 0.000 1.355 201 M HN 0.133 nan 8.290 nan 0.000 0.402 202 K N -0.455 119.854 120.400 -0.150 0.000 2.044 202 K HA -0.076 4.244 4.320 -0.000 0.000 0.204 202 K C 1.868 178.405 176.600 -0.105 0.000 1.045 202 K CA 0.901 57.096 56.287 -0.154 0.000 0.951 202 K CB -0.203 32.146 32.500 -0.252 0.000 0.738 202 K HN 0.377 nan 8.250 nan 0.000 0.443 203 E N 0.346 120.483 120.200 -0.105 0.000 2.273 203 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 203 E C 1.568 178.132 176.600 -0.059 0.000 1.002 203 E CA 1.480 57.834 56.400 -0.077 0.000 0.828 203 E CB 0.003 29.658 29.700 -0.075 0.000 0.747 203 E HN 0.318 nan 8.360 nan 0.000 0.491 204 T N -1.910 112.609 114.554 -0.058 0.000 2.939 204 T HA 0.132 4.482 4.350 -0.000 0.000 0.254 204 T C 1.457 176.138 174.700 -0.032 0.000 1.041 204 T CA 0.831 62.905 62.100 -0.043 0.000 1.142 204 T CB 0.554 69.395 68.868 -0.045 0.000 0.874 204 T HN 0.386 nan 8.240 nan 0.000 0.452 205 G N 0.354 109.135 108.800 -0.032 0.000 2.227 205 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.168 205 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.168 205 G C 1.028 175.927 174.900 -0.002 0.000 1.006 205 G CA 0.122 45.211 45.100 -0.018 0.000 0.684 205 G HN 0.387 nan 8.290 nan 0.000 0.489 206 V N 0.460 120.373 119.914 -0.002 0.000 2.379 206 V HA 0.256 4.376 4.120 -0.000 0.000 0.245 206 V C 1.601 177.716 176.094 0.034 0.000 1.044 206 V CA 1.432 63.745 62.300 0.022 0.000 1.036 206 V CB -0.306 31.529 31.823 0.019 0.000 0.664 206 V HN 0.437 nan 8.190 nan 0.000 0.453 207 I N 1.127 121.706 120.570 0.015 0.000 2.460 207 I HA 0.417 4.587 4.170 -0.000 0.000 0.298 207 I C -0.230 175.882 176.117 -0.009 0.000 0.989 207 I CA -0.155 61.160 61.300 0.024 0.000 1.173 207 I CB 1.585 39.607 38.000 0.037 0.000 1.338 207 I HN 0.139 nan 8.210 nan 0.000 0.456 208 N N 6.319 125.025 118.700 0.010 0.000 2.664 208 N HA 0.235 4.975 4.740 -0.000 0.000 0.268 208 N C 0.467 175.984 175.510 0.011 0.000 1.222 208 N CA -0.275 52.775 53.050 -0.001 0.000 0.805 208 N CB 1.294 39.786 38.487 0.008 0.000 1.399 208 N HN 0.582 nan 8.380 nan 0.000 0.547 209 L N 0.974 122.197 121.223 0.000 0.000 2.085 209 L HA -0.182 4.158 4.340 -0.000 0.000 0.218 209 L C 0.271 177.153 176.870 0.020 0.000 1.080 209 L CA 1.557 56.408 54.840 0.017 0.000 0.776 209 L CB -0.060 42.002 42.059 0.005 0.000 0.891 209 L HN 0.442 nan 8.230 nan 0.000 0.437 210 E N -0.317 119.890 120.200 0.012 0.000 2.400 210 E HA 0.516 4.866 4.350 -0.000 0.000 0.232 210 E C -0.069 176.540 176.600 0.016 0.000 0.988 210 E CA 0.245 56.653 56.400 0.014 0.000 0.823 210 E CB 0.876 30.581 29.700 0.008 0.000 1.246 210 E HN 0.293 nan 8.360 nan 0.000 0.441 211 G N 1.671 110.485 108.800 0.024 0.000 2.351 211 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.353 211 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.353 211 G C -1.204 173.720 174.900 0.040 0.000 1.358 211 G CA -0.982 44.135 45.100 0.029 0.000 0.995 211 G HN 0.385 nan 8.290 nan 0.000 0.611 212 E N -0.204 120.025 120.200 0.049 0.000 2.415 212 E HA 0.492 4.842 4.350 -0.000 0.000 0.263 212 E C -0.032 176.611 176.600 0.071 0.000 0.995 212 E CA 0.220 56.661 56.400 0.069 0.000 0.915 212 E CB 0.811 30.562 29.700 0.086 0.000 0.951 212 E HN 0.403 nan 8.360 nan 0.000 0.449 213 S N 2.786 118.536 115.700 0.083 0.000 2.532 213 S HA 0.290 4.760 4.470 -0.000 0.000 0.301 213 S C 0.112 174.788 174.600 0.126 0.000 1.083 213 S CA -1.102 57.150 58.200 0.087 0.000 1.025 213 S CB 1.578 64.825 63.200 0.078 0.000 1.056 213 S HN 0.454 nan 8.310 nan 0.000 0.494 214 K N 1.045 121.524 120.400 0.133 0.000 2.440 214 K HA 0.343 4.663 4.320 -0.000 0.000 0.206 214 K C -0.742 175.953 176.600 0.159 0.000 1.025 214 K CA 0.130 56.537 56.287 0.201 0.000 1.135 214 K CB 0.876 33.462 32.500 0.144 0.000 0.856 214 K HN 0.373 nan 8.250 nan 0.000 0.502 215 V N 0.720 120.701 119.914 0.113 0.000 2.655 215 V HA 0.534 4.654 4.120 -0.000 0.000 0.301 215 V C -1.514 174.641 176.094 0.103 0.000 1.082 215 V CA -0.875 61.490 62.300 0.107 0.000 0.899 215 V CB 1.699 33.592 31.823 0.117 0.000 1.014 215 V HN 0.207 nan 8.190 nan 0.000 0.429 216 A N 7.426 130.307 122.820 0.101 0.000 2.290 216 A HA 0.859 5.179 4.320 -0.000 0.000 0.310 216 A C -0.846 176.803 177.584 0.108 0.000 1.202 216 A CA -0.460 51.644 52.037 0.112 0.000 0.837 216 A CB 0.664 19.753 19.000 0.148 0.000 1.139 216 A HN 0.840 nan 8.150 nan 0.000 0.509 217 L N 2.879 124.156 121.223 0.089 0.000 2.329 217 L HA 0.628 4.968 4.340 -0.000 0.000 0.279 217 L C -0.895 175.945 176.870 -0.051 0.000 1.014 217 L CA -0.817 54.044 54.840 0.036 0.000 0.814 217 L CB 1.883 44.037 42.059 0.158 0.000 1.257 217 L HN 0.430 nan 8.230 nan 0.000 0.424 218 V N 3.120 122.877 119.914 -0.262 0.000 2.709 218 V HA 0.534 4.654 4.120 -0.000 0.000 0.308 218 V C -1.029 174.768 176.094 -0.494 0.000 1.062 218 V CA -0.499 61.672 62.300 -0.215 0.000 0.901 218 V CB 2.175 33.926 31.823 -0.120 0.000 1.003 218 V HN 0.404 nan 8.190 nan 0.000 0.425 219 F N 1.678 121.656 119.950 0.047 0.000 2.556 219 F HA 0.755 5.282 4.527 -0.000 0.000 0.314 219 F C 0.597 176.412 175.800 0.026 0.000 1.106 219 F CA -0.619 57.411 58.000 0.050 0.000 0.911 219 F CB 2.626 41.642 39.000 0.027 0.000 1.190 219 F HN 0.540 nan 8.300 nan 0.000 0.448 220 G N 3.184 112.107 108.800 0.205 0.000 4.370 220 G HA2 0.273 4.233 3.960 -0.000 0.000 0.295 220 G HA3 0.273 4.233 3.960 -0.000 0.000 0.295 220 G C -0.616 174.357 174.900 0.122 0.000 1.312 220 G CA -0.446 44.729 45.100 0.125 0.000 0.845 220 G HN 0.311 nan 8.290 nan 0.000 0.531 221 Q N 0.501 120.387 119.800 0.143 0.000 2.631 221 Q HA 0.135 4.475 4.340 -0.000 0.000 0.210 221 Q C 1.962 178.000 176.000 0.064 0.000 1.094 221 Q CA -0.370 55.504 55.803 0.118 0.000 1.055 221 Q CB 0.584 29.382 28.738 0.101 0.000 1.261 221 Q HN 0.683 nan 8.270 nan 0.000 0.615 222 M N -0.264 119.366 119.600 0.050 0.000 2.740 222 M HA -0.011 4.469 4.480 -0.000 0.000 0.230 222 M C 0.663 176.973 176.300 0.018 0.000 1.100 222 M CA 0.915 56.231 55.300 0.027 0.000 1.047 222 M CB -0.281 32.330 32.600 0.018 0.000 1.652 222 M HN 0.405 nan 8.290 nan 0.000 0.528 223 N N 0.688 119.400 118.700 0.019 0.000 2.395 223 N HA -0.002 4.738 4.740 -0.000 0.000 0.175 223 N C -0.230 175.287 175.510 0.012 0.000 1.029 223 N CA 0.213 53.270 53.050 0.012 0.000 0.897 223 N CB -0.153 38.338 38.487 0.007 0.000 0.991 223 N HN 0.550 nan 8.380 nan 0.000 0.441 224 E N 2.664 122.875 120.200 0.018 0.000 2.343 224 E HA 0.272 4.622 4.350 -0.000 0.000 0.269 224 E C -2.174 174.433 176.600 0.011 0.000 1.047 224 E CA -1.867 54.543 56.400 0.017 0.000 0.874 224 E CB 0.782 30.497 29.700 0.026 0.000 1.033 224 E HN 0.253 nan 8.360 nan 0.000 0.409 225 P HA 0.081 nan 4.420 nan 0.000 0.273 225 P C -2.186 175.113 177.300 -0.001 0.000 1.250 225 P CA -1.375 61.726 63.100 0.002 0.000 0.793 225 P CB 0.045 31.747 31.700 0.004 0.000 1.011 226 P HA -0.171 nan 4.420 nan 0.000 0.216 226 P C 1.707 178.997 177.300 -0.017 0.000 1.150 226 P CA 2.118 65.203 63.100 -0.025 0.000 0.843 226 P CB -0.590 31.089 31.700 -0.035 0.000 0.787 227 G N 0.395 109.193 108.800 -0.004 0.000 2.491 227 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 227 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 227 G C 1.685 176.598 174.900 0.020 0.000 1.180 227 G CA 1.203 46.309 45.100 0.010 0.000 0.774 227 G HN 0.358 nan 8.290 nan 0.000 0.562 228 A N 0.328 123.159 122.820 0.019 0.000 1.930 228 A HA 0.066 4.386 4.320 -0.000 0.000 0.217 228 A C 2.456 180.060 177.584 0.033 0.000 1.175 228 A CA 1.642 53.694 52.037 0.026 0.000 0.627 228 A CB -0.305 18.710 19.000 0.025 0.000 0.815 228 A HN 0.355 nan 8.150 nan 0.000 0.443 229 R N -0.623 119.893 120.500 0.026 0.000 2.148 229 R HA 0.087 4.427 4.340 -0.000 0.000 0.223 229 R C 2.301 178.638 176.300 0.062 0.000 1.088 229 R CA 0.956 57.076 56.100 0.033 0.000 0.985 229 R CB -0.312 29.993 30.300 0.007 0.000 0.880 229 R HN 0.488 nan 8.270 nan 0.000 0.451 230 A N 0.574 123.417 122.820 0.039 0.000 2.015 230 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 230 A C 1.731 179.446 177.584 0.217 0.000 1.163 230 A CA 1.095 53.172 52.037 0.066 0.000 0.646 230 A CB 0.024 19.003 19.000 -0.034 0.000 0.806 230 A HN 0.043 nan 8.150 nan 0.000 0.448 231 R N -1.410 119.161 120.500 0.118 0.000 2.307 231 R HA 0.145 4.485 4.340 -0.000 0.000 0.200 231 R C 1.808 178.116 176.300 0.013 0.000 0.893 231 R CA 0.825 56.969 56.100 0.072 0.000 1.042 231 R CB -1.085 29.234 30.300 0.032 0.000 1.059 231 R HN 0.378 nan 8.270 nan 0.000 0.530 232 V N 1.397 121.326 119.914 0.026 0.000 2.490 232 V HA -0.155 3.965 4.120 -0.000 0.000 0.250 232 V C 2.111 178.174 176.094 -0.052 0.000 1.061 232 V CA 2.011 64.305 62.300 -0.009 0.000 1.064 232 V CB -0.371 31.460 31.823 0.014 0.000 0.670 232 V HN 0.281 nan 8.190 nan 0.000 0.461 233 A N 0.046 122.832 122.820 -0.056 0.000 1.908 233 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 233 A C 2.128 179.604 177.584 -0.180 0.000 1.181 233 A CA 2.187 54.133 52.037 -0.152 0.000 0.627 233 A CB -0.534 18.313 19.000 -0.256 0.000 0.818 233 A HN 0.597 nan 8.150 nan 0.000 0.445 234 L N -1.211 119.917 121.223 -0.158 0.000 2.056 234 L HA -0.128 4.212 4.340 -0.000 0.000 0.207 234 L C 2.735 179.520 176.870 -0.142 0.000 1.078 234 L CA 1.760 56.500 54.840 -0.166 0.000 0.749 234 L CB -1.584 40.364 42.059 -0.184 0.000 0.901 234 L HN 0.312 nan 8.230 nan 0.000 0.433 235 T N 0.450 114.931 114.554 -0.120 0.000 2.635 235 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 235 T C 1.867 176.517 174.700 -0.083 0.000 1.040 235 T CA 1.761 63.802 62.100 -0.098 0.000 1.156 235 T CB -0.606 68.219 68.868 -0.072 0.000 0.863 235 T HN 0.581 nan 8.240 nan 0.000 0.430 236 G N 1.351 110.099 108.800 -0.086 0.000 2.421 236 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.216 236 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.216 236 G C 1.527 176.390 174.900 -0.062 0.000 1.171 236 G CA 0.932 45.987 45.100 -0.075 0.000 0.775 236 G HN 0.441 nan 8.290 nan 0.000 0.543 237 L N 1.100 122.267 121.223 -0.094 0.000 2.083 237 L HA 0.008 4.348 4.340 -0.000 0.000 0.209 237 L C 2.711 179.551 176.870 -0.050 0.000 1.083 237 L CA 2.605 57.394 54.840 -0.086 0.000 0.752 237 L CB -1.168 40.813 42.059 -0.131 0.000 0.899 237 L HN 0.169 nan 8.230 nan 0.000 0.433 238 T N 0.036 114.553 114.554 -0.062 0.000 2.788 238 T HA -0.135 4.215 4.350 -0.000 0.000 0.268 238 T C 1.988 176.670 174.700 -0.030 0.000 1.044 238 T CA 1.977 64.047 62.100 -0.050 0.000 1.139 238 T CB -0.301 68.520 68.868 -0.078 0.000 0.867 238 T HN 0.361 nan 8.240 nan 0.000 0.454 239 I N 1.191 121.747 120.570 -0.025 0.000 2.252 239 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 239 I C 2.888 179.075 176.117 0.118 0.000 1.102 239 I CA 1.018 62.316 61.300 -0.004 0.000 1.385 239 I CB -0.456 37.567 38.000 0.038 0.000 1.064 239 I HN 0.179 nan 8.210 nan 0.000 0.414 240 A N 0.501 123.411 122.820 0.150 0.000 1.883 240 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 240 A C 2.204 179.889 177.584 0.168 0.000 1.186 240 A CA 1.917 54.079 52.037 0.208 0.000 0.624 240 A CB -0.671 18.375 19.000 0.076 0.000 0.822 240 A HN 0.436 nan 8.150 nan 0.000 0.444 241 E N -1.777 118.469 120.200 0.076 0.000 2.085 241 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 241 E C 1.859 178.494 176.600 0.058 0.000 0.994 241 E CA 1.603 58.033 56.400 0.050 0.000 0.801 241 E CB -0.326 29.386 29.700 0.020 0.000 0.743 241 E HN 0.783 nan 8.360 nan 0.000 0.453 242 Y N -0.206 120.035 120.300 -0.099 0.000 2.274 242 Y HA -0.221 4.329 4.550 -0.000 0.000 0.290 242 Y C 1.612 177.410 175.900 -0.169 0.000 1.145 242 Y CA 1.257 59.247 58.100 -0.184 0.000 1.203 242 Y CB -0.036 38.233 38.460 -0.317 0.000 0.984 242 Y HN -0.018 nan 8.280 nan 0.000 0.533 243 F N -0.066 119.919 119.950 0.057 0.000 2.163 243 F HA -0.042 4.485 4.527 -0.000 0.000 0.297 243 F C 2.687 178.492 175.800 0.009 0.000 1.094 243 F CA 1.597 59.627 58.000 0.049 0.000 1.290 243 F CB -0.787 38.311 39.000 0.164 0.000 1.017 243 F HN -0.072 nan 8.300 nan 0.000 0.483 244 R N 0.503 121.113 120.500 0.184 0.000 2.070 244 R HA -0.158 4.182 4.340 -0.000 0.000 0.233 244 R C 1.685 177.989 176.300 0.006 0.000 1.137 244 R CA 2.217 58.366 56.100 0.082 0.000 0.945 244 R CB -0.393 29.938 30.300 0.051 0.000 0.845 244 R HN 0.158 nan 8.270 nan 0.000 0.430 245 D N -0.162 120.206 120.400 -0.053 0.000 2.107 245 D HA -0.086 4.554 4.640 -0.000 0.000 0.204 245 D C 1.847 178.047 176.300 -0.167 0.000 0.978 245 D CA 1.055 54.997 54.000 -0.095 0.000 0.852 245 D CB -0.062 40.685 40.800 -0.087 0.000 1.008 245 D HN 0.252 nan 8.370 nan 0.000 0.458 246 E N 0.429 120.409 120.200 -0.368 0.000 2.307 246 E HA 0.018 4.368 4.350 -0.000 0.000 0.195 246 E C 1.604 177.987 176.600 -0.362 0.000 0.975 246 E CA 0.330 56.455 56.400 -0.459 0.000 0.878 246 E CB 0.244 29.461 29.700 -0.805 0.000 0.845 246 E HN 0.313 nan 8.360 nan 0.000 0.488 247 E N 0.388 120.406 120.200 -0.305 0.000 2.474 247 E HA 0.077 4.427 4.350 -0.000 0.000 0.194 247 E C 0.483 177.123 176.600 0.066 0.000 1.041 247 E CA 0.321 56.716 56.400 -0.007 0.000 0.874 247 E CB 0.367 30.219 29.700 0.254 0.000 0.914 247 E HN 0.228 nan 8.360 nan 0.000 0.498 248 G N 2.625 111.430 108.800 0.009 0.000 2.352 248 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.283 248 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.283 248 G C -0.104 174.820 174.900 0.041 0.000 0.946 248 G CA 0.916 46.025 45.100 0.015 0.000 1.317 248 G HN 0.244 nan 8.290 nan 0.000 0.478 249 Q N -0.746 119.096 119.800 0.071 0.000 2.626 249 Q HA 0.381 4.721 4.340 -0.000 0.000 0.300 249 Q C -1.001 175.027 176.000 0.047 0.000 0.988 249 Q CA -1.048 54.777 55.803 0.038 0.000 0.761 249 Q CB 1.567 30.312 28.738 0.012 0.000 1.494 249 Q HN 0.301 nan 8.270 nan 0.000 0.439 250 D N 0.743 121.152 120.400 0.016 0.000 2.358 250 D HA 0.210 4.849 4.640 -0.000 0.000 0.258 250 D C -1.004 175.406 176.300 0.182 0.000 1.223 250 D CA 0.263 54.317 54.000 0.089 0.000 0.886 250 D CB 0.698 41.515 40.800 0.029 0.000 1.120 250 D HN 0.061 nan 8.370 nan 0.000 0.482 251 V N 3.594 123.579 119.914 0.118 0.000 2.617 251 V HA 0.319 4.439 4.120 -0.000 0.000 0.298 251 V C 0.297 176.323 176.094 -0.113 0.000 1.048 251 V CA -0.950 61.380 62.300 0.051 0.000 0.964 251 V CB 1.594 33.462 31.823 0.076 0.000 1.004 251 V HN 0.417 nan 8.190 nan 0.000 0.466 252 L N 4.326 125.409 121.223 -0.234 0.000 2.280 252 L HA 0.508 4.848 4.340 -0.000 0.000 0.287 252 L C -0.928 175.735 176.870 -0.345 0.000 1.023 252 L CA -0.577 53.999 54.840 -0.440 0.000 0.819 252 L CB 1.461 43.230 42.059 -0.482 0.000 1.212 252 L HN 0.529 nan 8.230 nan 0.000 0.420 253 L N 5.223 126.167 121.223 -0.464 0.000 2.316 253 L HA 0.511 4.851 4.340 -0.000 0.000 0.280 253 L C -1.184 175.371 176.870 -0.525 0.000 1.006 253 L CA 0.120 54.753 54.840 -0.345 0.000 0.836 253 L CB 0.872 42.796 42.059 -0.225 0.000 1.221 253 L HN 0.198 nan 8.230 nan 0.000 0.418 254 F N 5.980 125.803 119.950 -0.212 0.000 2.415 254 F HA 0.545 5.072 4.527 -0.000 0.000 0.348 254 F C 0.167 175.620 175.800 -0.577 0.000 1.119 254 F CA -0.368 57.427 58.000 -0.341 0.000 1.069 254 F CB 1.202 40.041 39.000 -0.268 0.000 1.124 254 F HN 0.238 nan 8.300 nan 0.000 0.472 255 I N 3.242 123.620 120.570 -0.320 0.000 2.448 255 I HA 0.222 4.392 4.170 -0.000 0.000 0.281 255 I C -1.168 174.780 176.117 -0.281 0.000 1.027 255 I CA -0.454 60.629 61.300 -0.362 0.000 1.111 255 I CB 1.494 39.337 38.000 -0.262 0.000 1.236 255 I HN 0.417 nan 8.210 nan 0.000 0.452 256 D N 6.691 126.894 120.400 -0.329 0.000 2.462 256 D HA 0.278 4.918 4.640 -0.000 0.000 0.245 256 D C -1.144 175.152 176.300 -0.006 0.000 1.122 256 D CA -0.197 53.753 54.000 -0.084 0.000 0.864 256 D CB 1.037 41.874 40.800 0.062 0.000 1.098 256 D HN 0.387 nan 8.370 nan 0.000 0.541 257 N N 4.437 123.152 118.700 0.024 0.000 2.310 257 N HA 0.132 4.872 4.740 -0.000 0.000 0.292 257 N C 0.488 176.024 175.510 0.042 0.000 1.049 257 N CA -0.533 52.538 53.050 0.035 0.000 0.849 257 N CB 1.578 40.133 38.487 0.113 0.000 1.532 257 N HN 0.249 nan 8.380 nan 0.000 0.479 258 I N 3.670 124.238 120.570 -0.002 0.000 2.361 258 I HA -0.106 4.064 4.170 -0.000 0.000 0.251 258 I C 1.784 177.972 176.117 0.120 0.000 1.133 258 I CA 0.941 62.236 61.300 -0.009 0.000 1.413 258 I CB -0.661 37.275 38.000 -0.107 0.000 1.073 258 I HN 0.649 nan 8.210 nan 0.000 0.424 259 F N 1.774 121.749 119.950 0.041 0.000 2.120 259 F HA -0.256 4.271 4.527 -0.000 0.000 0.300 259 F C 2.362 178.249 175.800 0.146 0.000 1.095 259 F CA 1.627 59.694 58.000 0.112 0.000 1.249 259 F CB -0.497 38.611 39.000 0.179 0.000 0.995 259 F HN -0.007 nan 8.300 nan 0.000 0.480 260 R N 0.023 120.466 120.500 -0.095 0.000 2.211 260 R HA -0.227 4.113 4.340 -0.000 0.000 0.240 260 R C 2.159 178.353 176.300 -0.176 0.000 1.144 260 R CA 1.491 57.464 56.100 -0.213 0.000 0.992 260 R CB -1.805 28.486 30.300 -0.015 0.000 0.869 260 R HN 0.550 nan 8.270 nan 0.000 0.462 261 F N 1.195 121.016 119.950 -0.215 0.000 2.187 261 F HA -0.091 4.436 4.527 -0.000 0.000 0.295 261 F C 1.969 177.674 175.800 -0.159 0.000 1.091 261 F CA 1.329 59.239 58.000 -0.151 0.000 1.308 261 F CB -0.372 38.562 39.000 -0.110 0.000 1.030 261 F HN -0.159 nan 8.300 nan 0.000 0.487 262 T N 0.489 114.803 114.554 -0.400 0.000 2.746 262 T HA -0.259 4.091 4.350 -0.000 0.000 0.267 262 T C 1.887 176.384 174.700 -0.337 0.000 1.039 262 T CA 1.781 63.632 62.100 -0.414 0.000 1.142 262 T CB -0.422 68.360 68.868 -0.143 0.000 0.866 262 T HN 0.449 nan 8.240 nan 0.000 0.444 263 Q N 0.549 120.062 119.800 -0.479 0.000 2.030 263 Q HA -0.144 4.196 4.340 -0.000 0.000 0.204 263 Q C 2.556 178.424 176.000 -0.220 0.000 0.986 263 Q CA 1.650 57.239 55.803 -0.356 0.000 0.843 263 Q CB -0.347 28.056 28.738 -0.558 0.000 0.904 263 Q HN 0.537 nan 8.270 nan 0.000 0.420 264 A N 0.325 123.003 122.820 -0.237 0.000 1.948 264 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 264 A C 2.212 179.697 177.584 -0.165 0.000 1.177 264 A CA 1.771 53.710 52.037 -0.163 0.000 0.636 264 A CB -1.283 17.635 19.000 -0.137 0.000 0.815 264 A HN 0.621 nan 8.150 nan 0.000 0.449 265 G N -0.714 107.936 108.800 -0.251 0.000 2.471 265 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.219 265 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.219 265 G C 1.781 176.616 174.900 -0.108 0.000 1.125 265 G CA 1.591 46.564 45.100 -0.211 0.000 0.775 265 G HN 0.879 nan 8.290 nan 0.000 0.548 266 S N -0.201 115.450 115.700 -0.082 0.000 2.470 266 S HA 0.102 4.572 4.470 -0.000 0.000 0.222 266 S C 1.774 176.343 174.600 -0.052 0.000 1.024 266 S CA 0.623 58.800 58.200 -0.038 0.000 0.931 266 S CB -0.056 63.133 63.200 -0.018 0.000 0.791 266 S HN 0.436 nan 8.310 nan 0.000 0.513 267 E N 1.197 121.359 120.200 -0.063 0.000 2.204 267 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 267 E C 1.844 178.423 176.600 -0.035 0.000 0.990 267 E CA 1.588 57.959 56.400 -0.048 0.000 0.821 267 E CB -0.107 29.563 29.700 -0.049 0.000 0.750 267 E HN 0.716 nan 8.360 nan 0.000 0.477 268 V N -3.332 116.560 119.914 -0.037 0.000 3.605 268 V HA 0.183 4.303 4.120 -0.000 0.000 0.284 268 V C 1.969 178.052 176.094 -0.018 0.000 1.386 268 V CA 0.396 62.682 62.300 -0.024 0.000 1.053 268 V CB 0.832 32.641 31.823 -0.024 0.000 0.857 268 V HN -0.004 nan 8.190 nan 0.000 0.436 269 S N 1.629 117.316 115.700 -0.021 0.000 2.351 269 S HA -0.186 4.284 4.470 -0.000 0.000 0.220 269 S C 2.249 176.848 174.600 -0.002 0.000 1.035 269 S CA 2.455 60.649 58.200 -0.010 0.000 1.031 269 S CB -0.481 62.717 63.200 -0.003 0.000 0.928 269 S HN 1.044 nan 8.310 nan 0.000 0.433 270 A N 1.611 124.429 122.820 -0.003 0.000 1.859 270 A HA -0.086 4.234 4.320 -0.000 0.000 0.217 270 A C 2.255 179.840 177.584 0.002 0.000 1.198 270 A CA 1.845 53.883 52.037 0.001 0.000 0.629 270 A CB -1.156 17.842 19.000 -0.003 0.000 0.830 270 A HN 0.582 nan 8.150 nan 0.000 0.446 271 L N -0.707 120.516 121.223 -0.000 0.000 2.127 271 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 271 L C 2.482 179.356 176.870 0.007 0.000 1.089 271 L CA 0.985 55.827 54.840 0.003 0.000 0.757 271 L CB -0.469 41.590 42.059 0.001 0.000 0.899 271 L HN 0.409 nan 8.230 nan 0.000 0.434 272 L N -0.752 120.474 121.223 0.006 0.000 2.275 272 L HA -0.106 4.234 4.340 -0.000 0.000 0.215 272 L C 1.595 178.473 176.870 0.013 0.000 1.119 272 L CA 1.077 55.923 54.840 0.010 0.000 0.790 272 L CB -0.374 41.688 42.059 0.006 0.000 0.919 272 L HN 0.577 nan 8.230 nan 0.000 0.443 273 G N -0.937 107.870 108.800 0.011 0.000 2.205 273 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.180 273 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.180 273 G C 0.146 175.054 174.900 0.013 0.000 1.004 273 G CA -0.552 44.556 45.100 0.012 0.000 0.670 273 G HN 0.160 nan 8.290 nan 0.000 0.496 274 R N 0.282 120.789 120.500 0.012 0.000 2.694 274 R HA 0.579 4.919 4.340 -0.000 0.000 0.268 274 R C 0.956 177.266 176.300 0.017 0.000 1.061 274 R CA 0.022 56.131 56.100 0.015 0.000 1.133 274 R CB 0.356 30.666 30.300 0.016 0.000 1.020 274 R HN 0.335 nan 8.270 nan 0.000 0.475 275 I N 4.386 124.968 120.570 0.021 0.000 2.441 275 I HA 0.186 4.356 4.170 -0.000 0.000 0.287 275 I C -1.755 174.381 176.117 0.033 0.000 1.049 275 I CA -1.960 59.354 61.300 0.024 0.000 1.381 275 I CB 1.190 39.205 38.000 0.024 0.000 1.409 275 I HN 0.346 nan 8.210 nan 0.000 0.523 276 P HA 0.128 nan 4.420 nan 0.000 0.275 276 P C -0.350 176.992 177.300 0.069 0.000 1.227 276 P CA -0.224 62.906 63.100 0.049 0.000 0.781 276 P CB 1.053 32.775 31.700 0.037 0.000 0.906 277 S N 1.922 117.682 115.700 0.100 0.000 2.598 277 S HA 0.607 5.077 4.470 -0.000 0.000 0.267 277 S C 0.166 174.867 174.600 0.168 0.000 1.189 277 S CA -0.368 57.906 58.200 0.123 0.000 1.010 277 S CB -0.039 63.241 63.200 0.133 0.000 1.084 277 S HN 0.551 nan 8.310 nan 0.000 0.541 278 A N -0.063 122.878 122.820 0.202 0.000 2.555 278 A HA 0.368 4.688 4.320 -0.000 0.000 0.233 278 A C 0.337 178.212 177.584 0.485 0.000 1.060 278 A CA 0.303 52.523 52.037 0.304 0.000 0.759 278 A CB -1.046 18.140 19.000 0.310 0.000 0.995 278 A HN 1.143 nan 8.150 nan 0.000 0.506 279 F N -0.076 119.956 119.950 0.138 0.000 3.021 279 F HA -0.288 4.239 4.527 -0.000 0.000 0.294 279 F C 1.766 177.561 175.800 -0.007 0.000 0.761 279 F CA 1.937 60.014 58.000 0.129 0.000 1.102 279 F CB -1.500 37.687 39.000 0.312 0.000 1.380 279 F HN 1.911 nan 8.300 nan 0.000 0.387 280 G N -2.462 106.423 108.800 0.141 0.000 2.205 280 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.261 280 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.261 280 G C 0.305 175.199 174.900 -0.009 0.000 0.980 280 G CA 0.085 45.192 45.100 0.012 0.000 0.632 280 G HN 0.502 nan 8.290 nan 0.000 0.533 281 Y N 2.257 122.641 120.300 0.140 0.000 2.426 281 Y HA 0.357 4.907 4.550 -0.000 0.000 0.344 281 Y C 1.544 177.476 175.900 0.054 0.000 1.256 281 Y CA 0.162 58.318 58.100 0.092 0.000 1.451 281 Y CB 0.442 38.963 38.460 0.101 0.000 1.342 281 Y HN 0.455 nan 8.280 nan 0.000 0.600 282 Q N 2.724 122.651 119.800 0.212 0.000 2.432 282 Q HA 0.032 4.372 4.340 -0.000 0.000 0.264 282 Q C -2.318 173.744 176.000 0.104 0.000 1.035 282 Q CA -1.443 54.424 55.803 0.108 0.000 0.908 282 Q CB 0.339 29.109 28.738 0.053 0.000 1.280 282 Q HN 0.382 nan 8.270 nan 0.000 0.455 283 P HA -0.035 nan 4.420 nan 0.000 0.233 283 P C 0.822 178.148 177.300 0.044 0.000 1.167 283 P CA 1.247 64.382 63.100 0.058 0.000 0.770 283 P CB 0.021 31.748 31.700 0.044 0.000 0.837 284 T N -4.266 110.309 114.554 0.036 0.000 3.163 284 T HA 0.165 4.515 4.350 -0.000 0.000 0.252 284 T C 1.463 176.180 174.700 0.027 0.000 1.056 284 T CA -0.312 61.804 62.100 0.027 0.000 0.947 284 T CB -0.964 67.914 68.868 0.016 0.000 1.016 284 T HN -0.033 nan 8.240 nan 0.000 0.554 285 L N 1.237 122.476 121.223 0.027 0.000 1.997 285 L HA -0.151 4.189 4.340 -0.000 0.000 0.216 285 L C 2.829 179.720 176.870 0.036 0.000 1.074 285 L CA 2.199 57.044 54.840 0.009 0.000 0.763 285 L CB -0.805 41.237 42.059 -0.030 0.000 0.890 285 L HN 0.404 nan 8.230 nan 0.000 0.434 286 A N -0.582 122.263 122.820 0.042 0.000 1.858 286 A HA -0.258 4.062 4.320 -0.000 0.000 0.216 286 A C 2.340 179.984 177.584 0.101 0.000 1.190 286 A CA 2.665 54.746 52.037 0.074 0.000 0.617 286 A CB -1.395 17.638 19.000 0.055 0.000 0.827 286 A HN 0.658 nan 8.150 nan 0.000 0.443 287 T N -2.463 112.137 114.554 0.077 0.000 2.915 287 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 287 T C 1.286 176.041 174.700 0.093 0.000 1.071 287 T CA 1.499 63.645 62.100 0.078 0.000 1.132 287 T CB -0.407 68.492 68.868 0.053 0.000 0.878 287 T HN 0.348 nan 8.240 nan 0.000 0.479 288 D N 0.916 121.379 120.400 0.104 0.000 2.084 288 D HA 0.015 4.655 4.640 -0.000 0.000 0.196 288 D C 2.021 178.483 176.300 0.269 0.000 0.985 288 D CA 0.963 55.066 54.000 0.170 0.000 0.826 288 D CB -0.468 40.389 40.800 0.094 0.000 0.978 288 D HN 0.334 nan 8.370 nan 0.000 0.456 289 M N 0.606 120.349 119.600 0.238 0.000 2.073 289 M HA -0.152 4.328 4.480 -0.000 0.000 0.258 289 M C 2.108 178.375 176.300 -0.055 0.000 1.070 289 M CA 2.229 57.616 55.300 0.146 0.000 1.103 289 M CB -0.482 32.195 32.600 0.128 0.000 1.321 289 M HN 0.082 nan 8.290 nan 0.000 0.405 290 G N 0.498 109.335 108.800 0.062 0.000 2.553 290 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.218 290 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.218 290 G C 1.394 176.299 174.900 0.009 0.000 1.195 290 G CA 1.286 46.442 45.100 0.093 0.000 0.779 290 G HN 0.477 nan 8.290 nan 0.000 0.577 291 L N -0.387 120.856 121.223 0.033 0.000 2.042 291 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 291 L C 2.727 179.573 176.870 -0.040 0.000 1.076 291 L CA 0.982 55.834 54.840 0.021 0.000 0.749 291 L CB -0.305 41.790 42.059 0.060 0.000 0.893 291 L HN 0.324 nan 8.230 nan 0.000 0.432 292 L N -1.216 119.944 121.223 -0.105 0.000 2.049 292 L HA -0.140 4.200 4.340 -0.000 0.000 0.203 292 L C 2.575 179.285 176.870 -0.267 0.000 1.074 292 L CA 1.591 56.284 54.840 -0.246 0.000 0.749 292 L CB -0.704 41.028 42.059 -0.545 0.000 0.907 292 L HN 0.152 nan 8.230 nan 0.000 0.439 293 Q N 0.272 119.872 119.800 -0.334 0.000 2.030 293 Q HA -0.220 4.120 4.340 -0.000 0.000 0.204 293 Q C 2.129 178.012 176.000 -0.196 0.000 0.986 293 Q CA 1.905 57.487 55.803 -0.369 0.000 0.843 293 Q CB -0.502 27.756 28.738 -0.799 0.000 0.904 293 Q HN 0.622 nan 8.270 nan 0.000 0.420 294 E N 0.426 120.556 120.200 -0.116 0.000 2.267 294 E HA -0.169 4.181 4.350 -0.000 0.000 0.197 294 E C 2.011 178.593 176.600 -0.030 0.000 0.998 294 E CA 0.632 57.024 56.400 -0.013 0.000 0.830 294 E CB -0.067 29.656 29.700 0.039 0.000 0.751 294 E HN 0.328 nan 8.360 nan 0.000 0.491 295 R N 0.292 120.755 120.500 -0.062 0.000 2.062 295 R HA 0.039 4.379 4.340 -0.000 0.000 0.229 295 R C 1.098 177.358 176.300 -0.066 0.000 1.128 295 R CA 0.378 56.444 56.100 -0.056 0.000 0.960 295 R CB -0.219 30.041 30.300 -0.067 0.000 0.855 295 R HN 0.075 nan 8.270 nan 0.000 0.432 296 I N 1.878 122.389 120.570 -0.098 0.000 2.680 296 I HA -0.056 4.114 4.170 -0.000 0.000 0.286 296 I C 0.199 176.272 176.117 -0.075 0.000 1.144 296 I CA 0.848 62.088 61.300 -0.101 0.000 1.370 296 I CB 0.278 38.191 38.000 -0.144 0.000 1.420 296 I HN 0.069 nan 8.210 nan 0.000 0.540 297 T N 3.101 117.620 114.554 -0.058 0.000 2.886 297 T HA 0.134 4.484 4.350 -0.000 0.000 0.341 297 T C -0.460 174.218 174.700 -0.037 0.000 1.839 297 T CA -0.601 61.473 62.100 -0.043 0.000 1.052 297 T CB 1.135 69.986 68.868 -0.028 0.000 1.715 297 T HN 0.438 nan 8.240 nan 0.000 0.504 298 T N 3.239 117.773 114.554 -0.034 0.000 2.918 298 T HA 0.606 4.956 4.350 -0.000 0.000 0.302 298 T C 0.446 175.126 174.700 -0.034 0.000 1.045 298 T CA 0.216 62.298 62.100 -0.030 0.000 1.114 298 T CB 0.628 69.480 68.868 -0.028 0.000 0.965 298 T HN 0.904 nan 8.240 nan 0.000 0.540 299 T N -0.420 114.115 114.554 -0.033 0.000 2.716 299 T HA 0.455 4.805 4.350 -0.000 0.000 0.286 299 T C 0.634 175.310 174.700 -0.040 0.000 1.052 299 T CA -1.061 61.014 62.100 -0.041 0.000 1.024 299 T CB 1.375 70.222 68.868 -0.034 0.000 1.349 299 T HN 0.361 nan 8.240 nan 0.000 0.525 300 K N 0.038 120.411 120.400 -0.045 0.000 2.555 300 K HA 0.109 4.429 4.320 -0.000 0.000 0.193 300 K C 1.610 178.191 176.600 -0.032 0.000 1.032 300 K CA 0.429 56.691 56.287 -0.041 0.000 1.004 300 K CB 0.050 32.522 32.500 -0.046 0.000 0.804 300 K HN 0.453 nan 8.250 nan 0.000 0.496 301 K N -0.038 120.345 120.400 -0.029 0.000 2.214 301 K HA 0.057 4.377 4.320 -0.000 0.000 0.201 301 K C 0.886 177.474 176.600 -0.020 0.000 1.049 301 K CA 0.457 56.729 56.287 -0.026 0.000 0.978 301 K CB 0.829 33.312 32.500 -0.029 0.000 0.842 301 K HN 0.128 nan 8.250 nan 0.000 0.474 302 G N -0.074 108.717 108.800 -0.015 0.000 2.649 302 G HA2 0.258 4.218 3.960 -0.000 0.000 0.290 302 G HA3 0.258 4.218 3.960 -0.000 0.000 0.290 302 G C -1.683 173.216 174.900 -0.002 0.000 1.426 302 G CA -0.500 44.599 45.100 -0.002 0.000 0.794 302 G HN -0.045 nan 8.290 nan 0.000 0.483 303 S N -0.865 114.839 115.700 0.008 0.000 2.451 303 S HA 0.682 5.152 4.470 -0.000 0.000 0.301 303 S C -0.579 174.030 174.600 0.015 0.000 1.116 303 S CA -0.537 57.668 58.200 0.007 0.000 1.093 303 S CB 1.369 64.576 63.200 0.011 0.000 1.017 303 S HN 0.814 nan 8.310 nan 0.000 0.482 304 V N 4.654 124.562 119.914 -0.010 0.000 2.448 304 V HA 0.459 4.579 4.120 -0.000 0.000 0.295 304 V C -0.084 175.967 176.094 -0.072 0.000 1.025 304 V CA -0.621 61.656 62.300 -0.038 0.000 0.859 304 V CB 1.844 33.637 31.823 -0.049 0.000 0.988 304 V HN 0.980 nan 8.190 nan 0.000 0.431 305 T N 3.801 118.285 114.554 -0.118 0.000 2.770 305 T HA 0.424 4.774 4.350 -0.000 0.000 0.297 305 T C 0.053 174.572 174.700 -0.302 0.000 0.997 305 T CA -0.349 61.647 62.100 -0.173 0.000 0.949 305 T CB 0.874 69.654 68.868 -0.147 0.000 0.941 305 T HN 0.824 nan 8.240 nan 0.000 0.457 306 S N 2.347 117.881 115.700 -0.277 0.000 2.472 306 S HA 0.723 5.193 4.470 -0.000 0.000 0.303 306 S C -0.477 173.912 174.600 -0.352 0.000 1.099 306 S CA -0.765 57.232 58.200 -0.339 0.000 1.077 306 S CB 1.338 64.390 63.200 -0.246 0.000 1.031 306 S HN 0.355 nan 8.310 nan 0.000 0.487 307 V N 3.533 123.198 119.914 -0.414 0.000 2.378 307 V HA 0.426 4.546 4.120 -0.000 0.000 0.288 307 V C -0.482 175.493 176.094 -0.197 0.000 1.016 307 V CA -0.508 61.627 62.300 -0.275 0.000 0.840 307 V CB 1.070 32.810 31.823 -0.138 0.000 0.994 307 V HN 0.959 nan 8.190 nan 0.000 0.431 308 Q N 3.261 122.940 119.800 -0.203 0.000 2.348 308 Q HA 0.697 5.037 4.340 -0.000 0.000 0.265 308 Q C 0.023 175.904 176.000 -0.199 0.000 0.998 308 Q CA -0.438 55.245 55.803 -0.200 0.000 0.831 308 Q CB 2.166 30.766 28.738 -0.230 0.000 1.251 308 Q HN 0.901 nan 8.270 nan 0.000 0.456 309 A N 2.482 125.224 122.820 -0.130 0.000 2.477 309 A HA 0.403 4.723 4.320 -0.000 0.000 0.246 309 A C -0.270 177.208 177.584 -0.177 0.000 1.078 309 A CA -0.208 51.762 52.037 -0.112 0.000 0.770 309 A CB 0.434 19.433 19.000 -0.000 0.000 1.011 309 A HN 0.521 nan 8.150 nan 0.000 0.494 310 V N 3.478 123.218 119.914 -0.290 0.000 2.409 310 V HA 0.194 4.314 4.120 -0.000 0.000 0.290 310 V C -0.724 175.266 176.094 -0.173 0.000 1.017 310 V CA -0.478 61.596 62.300 -0.377 0.000 0.841 310 V CB 0.916 32.067 31.823 -1.121 0.000 1.003 310 V HN 0.799 nan 8.190 nan 0.000 0.426 311 Y N 4.941 125.177 120.300 -0.107 0.000 2.377 311 Y HA 0.493 5.043 4.550 -0.000 0.000 0.330 311 Y C 0.022 175.692 175.900 -0.384 0.000 1.108 311 Y CA -0.151 57.842 58.100 -0.179 0.000 1.308 311 Y CB 1.324 39.731 38.460 -0.088 0.000 1.216 311 Y HN 0.424 nan 8.280 nan 0.000 0.518 312 V N 9.524 128.923 119.914 -0.859 0.000 2.293 312 V HA 0.292 4.412 4.120 -0.000 0.000 0.275 312 V C -2.264 173.330 176.094 -0.834 0.000 1.021 312 V CA -2.109 59.830 62.300 -0.602 0.000 0.815 312 V CB 0.603 32.281 31.823 -0.240 0.000 1.025 312 V HN 0.716 nan 8.190 nan 0.000 0.448 313 P HA 0.224 nan 4.420 nan 0.000 0.268 313 P C 0.664 177.891 177.300 -0.123 0.000 1.205 313 P CA 0.551 63.462 63.100 -0.316 0.000 0.771 313 P CB 0.862 32.556 31.700 -0.009 0.000 0.858 314 A N 3.061 125.853 122.820 -0.046 0.000 2.829 314 A HA -0.265 4.055 4.320 -0.000 0.000 0.267 314 A C 0.890 178.462 177.584 -0.019 0.000 1.370 314 A CA 1.341 53.384 52.037 0.009 0.000 0.900 314 A CB -2.645 16.393 19.000 0.063 0.000 1.044 314 A HN 0.594 nan 8.150 nan 0.000 0.691 315 D N -1.986 118.362 120.400 -0.088 0.000 3.079 315 D HA -0.166 4.474 4.640 -0.000 0.000 0.214 315 D C -0.249 176.031 176.300 -0.033 0.000 1.145 315 D CA 2.019 55.979 54.000 -0.067 0.000 0.958 315 D CB -1.210 39.574 40.800 -0.027 0.000 1.117 315 D HN 0.932 nan 8.370 nan 0.000 0.416 316 D N 0.455 120.844 120.400 -0.019 0.000 2.467 316 D HA 0.234 4.874 4.640 -0.000 0.000 0.220 316 D C 1.439 177.747 176.300 0.013 0.000 1.103 316 D CA -0.406 53.609 54.000 0.025 0.000 0.886 316 D CB 0.171 41.030 40.800 0.099 0.000 1.025 316 D HN 0.118 nan 8.370 nan 0.000 0.514 317 L N 2.572 123.806 121.223 0.018 0.000 2.549 317 L HA -0.094 4.246 4.340 -0.000 0.000 0.230 317 L C 2.073 178.973 176.870 0.049 0.000 1.162 317 L CA 1.279 56.156 54.840 0.061 0.000 0.834 317 L CB -0.284 41.803 42.059 0.047 0.000 0.947 317 L HN 0.467 nan 8.230 nan 0.000 0.452 318 T N -5.028 109.525 114.554 -0.002 0.000 3.069 318 T HA -0.013 4.337 4.350 -0.000 0.000 0.252 318 T C 0.710 175.310 174.700 -0.166 0.000 1.053 318 T CA -0.539 61.532 62.100 -0.049 0.000 0.964 318 T CB -0.192 68.656 68.868 -0.034 0.000 1.005 318 T HN 0.125 nan 8.240 nan 0.000 0.532 319 D N 2.777 123.078 120.400 -0.165 0.000 2.493 319 D HA 0.041 4.681 4.640 -0.000 0.000 0.240 319 D C -1.382 174.708 176.300 -0.351 0.000 1.142 319 D CA -1.410 52.372 54.000 -0.363 0.000 0.872 319 D CB 1.609 42.386 40.800 -0.039 0.000 1.173 319 D HN 0.040 nan 8.370 nan 0.000 0.467 320 P HA -0.237 nan 4.420 nan 0.000 0.218 320 P C 0.886 177.994 177.300 -0.321 0.000 1.154 320 P CA 2.293 65.150 63.100 -0.405 0.000 0.872 320 P CB 0.094 31.514 31.700 -0.467 0.000 0.790 321 A N 0.159 122.732 122.820 -0.410 0.000 1.829 321 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 321 A C -0.038 177.561 177.584 0.025 0.000 1.207 321 A CA 2.606 54.549 52.037 -0.156 0.000 0.622 321 A CB -2.285 16.792 19.000 0.129 0.000 0.846 321 A HN 0.196 nan 8.150 nan 0.000 0.447 322 P HA -0.182 nan 4.420 nan 0.000 0.216 322 P C 1.569 179.006 177.300 0.228 0.000 1.150 322 P CA 2.168 65.369 63.100 0.169 0.000 0.843 322 P CB -0.264 31.549 31.700 0.189 0.000 0.787 323 A N -0.120 122.805 122.820 0.175 0.000 1.940 323 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 323 A C 2.166 179.876 177.584 0.210 0.000 1.176 323 A CA 2.319 54.493 52.037 0.230 0.000 0.631 323 A CB -1.894 17.131 19.000 0.042 0.000 0.814 323 A HN 0.234 nan 8.150 nan 0.000 0.446 324 T N -0.414 114.205 114.554 0.109 0.000 3.160 324 T HA 0.011 4.361 4.350 -0.000 0.000 0.257 324 T C 1.476 176.294 174.700 0.196 0.000 1.147 324 T CA 1.437 63.604 62.100 0.111 0.000 1.064 324 T CB -0.151 68.753 68.868 0.059 0.000 0.949 324 T HN 0.551 nan 8.240 nan 0.000 0.526 325 T N 1.028 115.707 114.554 0.208 0.000 3.044 325 T HA 0.190 4.540 4.350 -0.000 0.000 0.255 325 T C 1.425 176.272 174.700 0.245 0.000 1.073 325 T CA 0.038 62.267 62.100 0.215 0.000 1.125 325 T CB -0.266 68.643 68.868 0.067 0.000 0.908 325 T HN 0.260 nan 8.240 nan 0.000 0.480 326 F N 2.520 122.629 119.950 0.264 0.000 2.091 326 F HA -0.113 4.414 4.527 0.000 0.000 0.299 326 F C 2.691 178.530 175.800 0.065 0.000 1.103 326 F CA 1.246 59.326 58.000 0.134 0.000 1.228 326 F CB -0.730 38.221 39.000 -0.081 0.000 0.984 326 F HN 0.161 nan 8.300 nan 0.000 0.477 327 A N -1.562 121.361 122.820 0.171 0.000 2.121 327 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 327 A C 1.663 179.204 177.584 -0.073 0.000 1.154 327 A CA 1.179 53.219 52.037 0.004 0.000 0.679 327 A CB -0.952 17.993 19.000 -0.093 0.000 0.795 327 A HN 0.461 nan 8.150 nan 0.000 0.458 328 H N -1.046 118.068 119.070 0.074 0.000 2.547 328 H HA 0.298 4.854 4.556 -0.000 0.000 0.266 328 H C -0.266 175.074 175.328 0.021 0.000 0.988 328 H CA 0.510 56.577 56.048 0.033 0.000 1.147 328 H CB -0.092 29.674 29.762 0.007 0.000 1.365 328 H HN 0.340 nan 8.280 nan 0.000 0.589 329 L N -0.016 121.289 121.223 0.137 0.000 2.370 329 L HA 0.227 4.567 4.340 -0.000 0.000 0.266 329 L C 0.604 177.523 176.870 0.082 0.000 1.002 329 L CA -0.613 54.285 54.840 0.097 0.000 0.818 329 L CB 2.285 44.415 42.059 0.118 0.000 1.325 329 L HN -0.182 nan 8.230 nan 0.000 0.418 330 D N 1.243 121.674 120.400 0.051 0.000 2.360 330 D HA 0.265 4.905 4.640 -0.000 0.000 0.210 330 D C 0.111 176.454 176.300 0.072 0.000 1.047 330 D CA 0.459 54.490 54.000 0.051 0.000 0.854 330 D CB 1.190 42.007 40.800 0.029 0.000 0.936 330 D HN 0.475 nan 8.370 nan 0.000 0.514 331 A N 0.832 123.700 122.820 0.079 0.000 2.485 331 A HA 0.488 4.808 4.320 -0.000 0.000 0.285 331 A C -0.501 177.168 177.584 0.142 0.000 1.045 331 A CA -0.738 51.376 52.037 0.128 0.000 0.792 331 A CB 0.876 19.978 19.000 0.170 0.000 1.307 331 A HN -0.047 nan 8.150 nan 0.000 0.406 332 T N -0.120 114.552 114.554 0.198 0.000 2.791 332 T HA 0.661 5.011 4.350 -0.000 0.000 0.288 332 T C -0.272 174.564 174.700 0.227 0.000 0.999 332 T CA -0.477 61.778 62.100 0.258 0.000 0.952 332 T CB 1.139 70.202 68.868 0.325 0.000 0.938 332 T HN 0.428 nan 8.240 nan 0.000 0.444 333 T N 3.465 118.154 114.554 0.226 0.000 2.756 333 T HA 0.466 4.816 4.350 -0.000 0.000 0.290 333 T C -0.060 174.715 174.700 0.125 0.000 0.985 333 T CA -0.526 61.659 62.100 0.141 0.000 0.955 333 T CB 0.815 69.728 68.868 0.076 0.000 0.930 333 T HN 0.606 nan 8.240 nan 0.000 0.451 334 V N 6.203 126.177 119.914 0.101 0.000 2.333 334 V HA 0.376 4.496 4.120 -0.000 0.000 0.274 334 V C 0.179 176.312 176.094 0.064 0.000 1.028 334 V CA -0.788 61.574 62.300 0.104 0.000 0.851 334 V CB 0.619 32.483 31.823 0.069 0.000 1.000 334 V HN 0.733 nan 8.190 nan 0.000 0.456 335 L N 3.412 124.674 121.223 0.065 0.000 2.399 335 L HA 0.626 4.966 4.340 -0.000 0.000 0.266 335 L C 0.430 177.332 176.870 0.054 0.000 1.114 335 L CA 0.068 54.947 54.840 0.066 0.000 0.804 335 L CB 1.403 43.514 42.059 0.086 0.000 1.146 335 L HN 0.589 nan 8.230 nan 0.000 0.451 336 S N 0.153 115.877 115.700 0.040 0.000 2.557 336 S HA 0.305 4.775 4.470 -0.000 0.000 0.291 336 S C 0.618 175.221 174.600 0.005 0.000 1.116 336 S CA -0.731 57.479 58.200 0.017 0.000 0.992 336 S CB 1.726 64.927 63.200 0.002 0.000 1.028 336 S HN 0.694 nan 8.310 nan 0.000 0.484 337 R N 2.874 123.378 120.500 0.008 0.000 2.159 337 R HA -0.079 4.261 4.340 -0.000 0.000 0.237 337 R C 1.911 178.203 176.300 -0.014 0.000 1.131 337 R CA 1.816 57.920 56.100 0.006 0.000 0.982 337 R CB -0.702 29.605 30.300 0.012 0.000 0.868 337 R HN 0.796 nan 8.270 nan 0.000 0.453 338 G N 0.902 109.690 108.800 -0.019 0.000 2.418 338 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.217 338 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.217 338 G C 1.405 176.279 174.900 -0.043 0.000 1.158 338 G CA 0.733 45.816 45.100 -0.029 0.000 0.771 338 G HN 0.278 nan 8.290 nan 0.000 0.545 339 I N 1.557 122.097 120.570 -0.049 0.000 2.500 339 I HA -0.092 4.078 4.170 -0.000 0.000 0.252 339 I C 3.100 179.126 176.117 -0.152 0.000 1.142 339 I CA 1.219 62.479 61.300 -0.068 0.000 1.451 339 I CB -0.276 37.701 38.000 -0.038 0.000 1.093 339 I HN 0.332 nan 8.210 nan 0.000 0.430 340 S N 0.854 116.443 115.700 -0.185 0.000 2.368 340 S HA -0.198 4.272 4.470 -0.000 0.000 0.225 340 S C 1.813 176.264 174.600 -0.248 0.000 1.030 340 S CA 1.090 59.064 58.200 -0.378 0.000 0.999 340 S CB -0.462 62.634 63.200 -0.173 0.000 0.844 340 S HN 0.439 nan 8.310 nan 0.000 0.459 341 E N 0.976 121.115 120.200 -0.102 0.000 2.070 341 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 341 E C 2.050 178.616 176.600 -0.057 0.000 1.004 341 E CA 1.436 57.807 56.400 -0.048 0.000 0.805 341 E CB -0.421 29.263 29.700 -0.027 0.000 0.744 341 E HN 0.523 nan 8.360 nan 0.000 0.451 342 L N -0.405 120.774 121.223 -0.073 0.000 2.261 342 L HA -0.159 4.181 4.340 -0.000 0.000 0.216 342 L C 1.274 178.105 176.870 -0.065 0.000 1.114 342 L CA 1.132 55.938 54.840 -0.056 0.000 0.777 342 L CB -0.161 41.874 42.059 -0.039 0.000 0.910 342 L HN 0.458 nan 8.230 nan 0.000 0.440 343 G N -0.075 108.663 108.800 -0.104 0.000 2.131 343 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.223 343 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.223 343 G C 0.027 174.948 174.900 0.035 0.000 0.990 343 G CA -0.064 45.017 45.100 -0.031 0.000 0.671 343 G HN 0.281 nan 8.290 nan 0.000 0.521 344 I N 0.834 121.315 120.570 -0.149 0.000 2.312 344 I HA 0.561 4.731 4.170 -0.000 0.000 0.290 344 I C -0.386 175.563 176.117 -0.281 0.000 1.008 344 I CA -0.988 60.291 61.300 -0.036 0.000 1.226 344 I CB 0.883 38.908 38.000 0.042 0.000 1.371 344 I HN 0.068 nan 8.210 nan 0.000 0.468 345 Y N 7.234 127.557 120.300 0.040 0.000 2.442 345 Y HA 0.423 4.973 4.550 -0.000 0.000 0.344 345 Y C -2.296 173.478 175.900 -0.210 0.000 0.976 345 Y CA -2.737 55.334 58.100 -0.048 0.000 1.040 345 Y CB 1.776 40.192 38.460 -0.073 0.000 1.228 345 Y HN 0.375 nan 8.280 nan 0.000 0.451 346 P HA 0.106 nan 4.420 nan 0.000 0.271 346 P C -0.320 177.116 177.300 0.226 0.000 1.218 346 P CA -0.135 63.109 63.100 0.239 0.000 0.780 346 P CB 1.103 33.090 31.700 0.478 0.000 0.901 347 A N 3.473 126.434 122.820 0.234 0.000 2.728 347 A HA 0.205 4.525 4.320 -0.000 0.000 0.258 347 A C 0.553 178.198 177.584 0.103 0.000 1.454 347 A CA -0.295 51.794 52.037 0.088 0.000 1.146 347 A CB -1.125 17.898 19.000 0.038 0.000 0.985 347 A HN 0.378 nan 8.150 nan 0.000 0.603 348 V N 1.166 121.166 119.914 0.142 0.000 2.637 348 V HA 0.017 4.137 4.120 -0.000 0.000 0.296 348 V C 0.487 176.621 176.094 0.067 0.000 1.046 348 V CA -0.340 62.027 62.300 0.111 0.000 1.066 348 V CB 1.031 32.945 31.823 0.152 0.000 0.968 348 V HN 0.569 nan 8.190 nan 0.000 0.483 349 D N 7.529 127.955 120.400 0.044 0.000 2.336 349 D HA 0.172 4.812 4.640 -0.000 0.000 0.249 349 D C -1.318 174.993 176.300 0.017 0.000 1.213 349 D CA -1.804 52.209 54.000 0.022 0.000 0.870 349 D CB 1.987 42.790 40.800 0.005 0.000 1.076 349 D HN 0.278 nan 8.370 nan 0.000 0.483 350 P HA -0.100 nan 4.420 nan 0.000 0.220 350 P C 1.500 178.790 177.300 -0.015 0.000 1.148 350 P CA 0.741 63.841 63.100 0.001 0.000 0.803 350 P CB 0.601 32.307 31.700 0.010 0.000 0.782 351 L N -0.766 120.446 121.223 -0.017 0.000 2.286 351 L HA 0.127 4.467 4.340 -0.000 0.000 0.203 351 L C 1.979 178.824 176.870 -0.042 0.000 1.068 351 L CA 0.866 55.687 54.840 -0.031 0.000 0.811 351 L CB -0.714 41.325 42.059 -0.032 0.000 0.989 351 L HN -0.159 nan 8.230 nan 0.000 0.467 352 D N -0.094 120.282 120.400 -0.041 0.000 2.323 352 D HA 0.022 4.662 4.640 -0.000 0.000 0.239 352 D C -0.143 176.132 176.300 -0.042 0.000 1.129 352 D CA 0.243 54.205 54.000 -0.062 0.000 0.865 352 D CB 0.269 41.032 40.800 -0.063 0.000 0.913 352 D HN -0.020 nan 8.370 nan 0.000 0.517 353 S N 0.509 116.201 115.700 -0.013 0.000 2.498 353 S HA 0.427 4.897 4.470 -0.000 0.000 0.317 353 S C -0.396 174.217 174.600 0.021 0.000 1.090 353 S CA -0.852 57.364 58.200 0.025 0.000 1.089 353 S CB 1.704 64.932 63.200 0.046 0.000 0.997 353 S HN -0.032 nan 8.310 nan 0.000 0.470 354 K N 1.713 122.139 120.400 0.044 0.000 2.328 354 K HA 0.716 5.036 4.320 -0.000 0.000 0.246 354 K C -0.670 175.979 176.600 0.082 0.000 0.955 354 K CA -0.795 55.515 56.287 0.038 0.000 0.817 354 K CB 2.020 34.528 32.500 0.012 0.000 1.208 354 K HN 0.687 nan 8.250 nan 0.000 0.432 355 S N -0.581 115.161 115.700 0.070 0.000 2.540 355 S HA 0.336 4.806 4.470 -0.000 0.000 0.275 355 S C 0.347 174.984 174.600 0.061 0.000 1.123 355 S CA -1.026 57.228 58.200 0.089 0.000 0.907 355 S CB 1.811 65.085 63.200 0.124 0.000 1.081 355 S HN 0.684 nan 8.310 nan 0.000 0.476 356 R N 1.550 122.085 120.500 0.058 0.000 2.339 356 R HA 0.256 4.596 4.340 -0.000 0.000 0.199 356 R C 0.749 177.073 176.300 0.040 0.000 1.018 356 R CA 0.569 56.696 56.100 0.044 0.000 1.036 356 R CB -0.626 29.697 30.300 0.037 0.000 0.899 356 R HN 0.644 nan 8.270 nan 0.000 0.473 357 L N 0.259 121.507 121.223 0.042 0.000 2.554 357 L HA 0.162 4.502 4.340 -0.000 0.000 0.225 357 L C 0.671 177.552 176.870 0.018 0.000 1.104 357 L CA -0.254 54.603 54.840 0.027 0.000 0.866 357 L CB 0.047 42.123 42.059 0.028 0.000 1.047 357 L HN 0.199 nan 8.230 nan 0.000 0.468 358 L N 2.306 123.546 121.223 0.028 0.000 2.450 358 L HA 0.076 4.415 4.340 -0.000 0.000 0.256 358 L C -0.484 176.500 176.870 0.190 0.000 1.374 358 L CA 0.561 55.422 54.840 0.035 0.000 1.210 358 L CB -0.910 41.145 42.059 -0.007 0.000 1.394 358 L HN 0.118 nan 8.230 nan 0.000 0.438 359 D N 1.314 121.818 120.400 0.173 0.000 2.927 359 D HA 0.388 5.028 4.640 -0.000 0.000 0.219 359 D C 0.660 176.952 176.300 -0.014 0.000 1.248 359 D CA -0.004 54.065 54.000 0.116 0.000 0.861 359 D CB 1.657 42.477 40.800 0.032 0.000 1.677 359 D HN 0.131 nan 8.370 nan 0.000 0.511 360 A N 2.998 125.665 122.820 -0.254 0.000 2.024 360 A HA 0.097 4.417 4.320 -0.000 0.000 0.220 360 A C 2.089 179.614 177.584 -0.098 0.000 1.164 360 A CA 2.066 53.985 52.037 -0.198 0.000 0.643 360 A CB -0.847 17.928 19.000 -0.376 0.000 0.806 360 A HN 0.776 nan 8.150 nan 0.000 0.451 361 A N -0.813 121.948 122.820 -0.097 0.000 1.972 361 A HA 0.059 4.379 4.320 -0.000 0.000 0.219 361 A C 2.145 179.710 177.584 -0.032 0.000 1.169 361 A CA 1.925 53.929 52.037 -0.056 0.000 0.635 361 A CB -0.492 18.478 19.000 -0.051 0.000 0.810 361 A HN 0.387 nan 8.150 nan 0.000 0.446 362 V N -0.698 119.198 119.914 -0.029 0.000 2.490 362 V HA -0.085 4.035 4.120 -0.000 0.000 0.238 362 V C 2.488 178.567 176.094 -0.025 0.000 1.056 362 V CA 1.507 63.795 62.300 -0.020 0.000 1.075 362 V CB -0.233 31.581 31.823 -0.015 0.000 0.746 362 V HN 0.513 nan 8.190 nan 0.000 0.479 363 V N -1.217 118.664 119.914 -0.054 0.000 3.235 363 V HA 0.613 4.733 4.120 -0.000 0.000 0.259 363 V C 0.921 177.021 176.094 0.009 0.000 1.133 363 V CA 0.529 62.765 62.300 -0.108 0.000 1.128 363 V CB -0.697 30.851 31.823 -0.459 0.000 0.757 363 V HN 0.988 nan 8.190 nan 0.000 0.469 364 G N 0.443 109.261 108.800 0.031 0.000 2.907 364 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 364 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 364 G C -0.194 174.775 174.900 0.114 0.000 1.115 364 G CA 0.222 45.363 45.100 0.068 0.000 0.760 364 G HN 0.516 nan 8.290 nan 0.000 0.620 365 Q N 0.600 120.443 119.800 0.073 0.000 2.082 365 Q HA -0.187 4.153 4.340 -0.000 0.000 0.211 365 Q C 2.346 178.447 176.000 0.167 0.000 1.002 365 Q CA 3.169 59.026 55.803 0.090 0.000 0.868 365 Q CB -0.272 28.489 28.738 0.039 0.000 0.931 365 Q HN 0.898 nan 8.270 nan 0.000 0.414 366 E N -1.368 118.916 120.200 0.140 0.000 2.038 366 E HA -0.304 4.046 4.350 -0.000 0.000 0.195 366 E C 2.008 178.719 176.600 0.185 0.000 1.000 366 E CA 1.326 57.808 56.400 0.137 0.000 0.803 366 E CB -0.359 29.402 29.700 0.100 0.000 0.750 366 E HN 0.570 nan 8.360 nan 0.000 0.448 367 H N -0.165 118.960 119.070 0.091 0.000 2.265 367 H HA -0.238 4.318 4.556 -0.000 0.000 0.295 367 H C 1.968 177.348 175.328 0.087 0.000 1.084 367 H CA 2.204 58.297 56.048 0.077 0.000 1.261 367 H CB -0.938 28.865 29.762 0.069 0.000 1.360 367 H HN 0.361 nan 8.280 nan 0.000 0.487 368 Y N 1.577 121.991 120.300 0.190 0.000 2.102 368 Y HA -0.274 4.276 4.550 -0.000 0.000 0.280 368 Y C 2.269 178.222 175.900 0.089 0.000 1.178 368 Y CA 2.361 60.512 58.100 0.086 0.000 1.146 368 Y CB -0.388 38.087 38.460 0.025 0.000 0.968 368 Y HN 0.246 nan 8.280 nan 0.000 0.504 369 D N -0.841 119.708 120.400 0.248 0.000 2.178 369 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 369 D C 2.297 178.633 176.300 0.059 0.000 0.980 369 D CA 1.481 55.568 54.000 0.145 0.000 0.842 369 D CB -0.271 40.619 40.800 0.151 0.000 0.948 369 D HN 0.313 nan 8.370 nan 0.000 0.472 370 V N 0.890 120.846 119.914 0.070 0.000 2.323 370 V HA -0.163 3.957 4.120 -0.000 0.000 0.244 370 V C 2.487 178.578 176.094 -0.004 0.000 1.041 370 V CA 1.609 63.936 62.300 0.046 0.000 1.025 370 V CB -0.830 31.016 31.823 0.039 0.000 0.656 370 V HN 0.177 nan 8.190 nan 0.000 0.451 371 A N 0.181 122.986 122.820 -0.025 0.000 1.908 371 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 371 A C 2.471 179.972 177.584 -0.138 0.000 1.181 371 A CA 2.434 54.416 52.037 -0.092 0.000 0.627 371 A CB -0.769 18.181 19.000 -0.085 0.000 0.818 371 A HN 0.535 nan 8.150 nan 0.000 0.445 372 S N -0.339 115.242 115.700 -0.198 0.000 2.354 372 S HA -0.205 4.265 4.470 -0.000 0.000 0.219 372 S C 2.004 176.566 174.600 -0.064 0.000 1.035 372 S CA 1.674 59.772 58.200 -0.170 0.000 1.037 372 S CB -0.360 62.737 63.200 -0.172 0.000 0.956 372 S HN 0.671 nan 8.310 nan 0.000 0.428 373 K N 0.916 121.303 120.400 -0.023 0.000 2.147 373 K HA -0.072 4.248 4.320 -0.000 0.000 0.205 373 K C 1.951 178.564 176.600 0.023 0.000 1.049 373 K CA 0.975 57.269 56.287 0.011 0.000 0.936 373 K CB -0.223 32.296 32.500 0.033 0.000 0.722 373 K HN 0.158 nan 8.250 nan 0.000 0.446 374 V N 1.681 121.607 119.914 0.020 0.000 2.343 374 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 374 V C 2.292 178.399 176.094 0.021 0.000 1.051 374 V CA 1.749 64.073 62.300 0.040 0.000 1.036 374 V CB -0.414 31.416 31.823 0.012 0.000 0.654 374 V HN 0.437 nan 8.190 nan 0.000 0.451 375 Q N -0.479 119.312 119.800 -0.015 0.000 2.124 375 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 375 Q C 2.192 178.192 176.000 0.001 0.000 0.977 375 Q CA 1.528 57.322 55.803 -0.017 0.000 0.850 375 Q CB -0.188 28.522 28.738 -0.047 0.000 0.901 375 Q HN 0.714 nan 8.270 nan 0.000 0.429 376 E N 0.419 120.620 120.200 0.003 0.000 2.015 376 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 376 E C 2.145 178.765 176.600 0.032 0.000 0.991 376 E CA 1.589 57.997 56.400 0.014 0.000 0.802 376 E CB -0.112 29.596 29.700 0.012 0.000 0.759 376 E HN 0.309 nan 8.360 nan 0.000 0.447 377 T N 2.112 116.690 114.554 0.039 0.000 2.653 377 T HA -0.200 4.150 4.350 -0.000 0.000 0.268 377 T C 2.028 176.779 174.700 0.084 0.000 1.035 377 T CA 1.214 63.345 62.100 0.052 0.000 1.154 377 T CB -0.325 68.574 68.868 0.052 0.000 0.862 377 T HN 0.069 nan 8.240 nan 0.000 0.441 378 L N 0.407 121.682 121.223 0.086 0.000 2.156 378 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 378 L C 2.845 179.768 176.870 0.089 0.000 1.095 378 L CA 0.902 55.811 54.840 0.115 0.000 0.770 378 L CB -0.384 41.724 42.059 0.083 0.000 0.914 378 L HN 0.168 nan 8.230 nan 0.000 0.439 379 Q N -0.196 119.634 119.800 0.050 0.000 2.123 379 Q HA -0.131 4.209 4.340 -0.000 0.000 0.199 379 Q C 2.075 178.098 176.000 0.039 0.000 0.966 379 Q CA 2.082 57.899 55.803 0.024 0.000 0.845 379 Q CB -0.315 28.427 28.738 0.007 0.000 0.907 379 Q HN 0.377 nan 8.270 nan 0.000 0.439 380 T N 0.085 114.676 114.554 0.062 0.000 2.788 380 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 380 T C 1.271 176.051 174.700 0.133 0.000 1.044 380 T CA 1.396 63.540 62.100 0.073 0.000 1.139 380 T CB -0.540 68.366 68.868 0.063 0.000 0.867 380 T HN 0.350 nan 8.240 nan 0.000 0.454 381 Y N 2.088 122.386 120.300 -0.003 0.000 2.163 381 Y HA 0.059 4.609 4.550 -0.000 0.000 0.288 381 Y C 2.338 178.235 175.900 -0.005 0.000 1.136 381 Y CA 0.917 59.015 58.100 -0.003 0.000 1.147 381 Y CB -0.467 37.992 38.460 -0.002 0.000 0.987 381 Y HN 0.046 nan 8.280 nan 0.000 0.509 382 K N -0.491 119.844 120.400 -0.107 0.000 2.211 382 K HA -0.106 4.214 4.320 -0.000 0.000 0.203 382 K C 2.092 178.632 176.600 -0.100 0.000 1.050 382 K CA 1.293 57.465 56.287 -0.192 0.000 0.945 382 K CB -0.005 32.417 32.500 -0.130 0.000 0.732 382 K HN 0.265 nan 8.250 nan 0.000 0.451 383 S N 0.917 116.598 115.700 -0.032 0.000 2.371 383 S HA -0.047 4.423 4.470 -0.000 0.000 0.224 383 S C 1.593 176.193 174.600 -0.001 0.000 1.029 383 S CA 0.914 59.106 58.200 -0.013 0.000 0.978 383 S CB -0.058 63.147 63.200 0.007 0.000 0.833 383 S HN 0.258 nan 8.310 nan 0.000 0.466 384 L N 1.473 122.717 121.223 0.035 0.000 2.591 384 L HA 0.141 4.481 4.340 -0.000 0.000 0.228 384 L C 2.110 179.010 176.870 0.050 0.000 1.133 384 L CA 0.256 55.132 54.840 0.060 0.000 0.880 384 L CB -0.331 41.792 42.059 0.107 0.000 1.033 384 L HN 0.199 nan 8.230 nan 0.000 0.450 385 Q N 0.169 119.950 119.800 -0.031 0.000 2.576 385 Q HA -0.207 4.133 4.340 -0.000 0.000 0.218 385 Q C 0.565 176.536 176.000 -0.048 0.000 0.983 385 Q CA 1.229 56.970 55.803 -0.104 0.000 0.920 385 Q CB 0.061 28.639 28.738 -0.267 0.000 0.973 385 Q HN 0.537 nan 8.270 nan 0.000 0.528 386 D N -1.865 118.522 120.400 -0.021 0.000 2.479 386 D HA 0.096 4.736 4.640 -0.000 0.000 0.216 386 D C 1.043 177.343 176.300 0.001 0.000 1.110 386 D CA 0.010 54.001 54.000 -0.015 0.000 0.841 386 D CB 0.586 41.374 40.800 -0.021 0.000 1.040 386 D HN 0.055 nan 8.370 nan 0.000 0.505 387 I N 0.027 120.605 120.570 0.013 0.000 2.512 387 I HA 0.024 4.194 4.170 -0.000 0.000 0.247 387 I C 1.977 178.109 176.117 0.025 0.000 1.094 387 I CA 0.493 61.804 61.300 0.018 0.000 1.427 387 I CB -0.082 37.931 38.000 0.023 0.000 1.149 387 I HN -0.028 nan 8.210 nan 0.000 0.438 388 I N 1.019 121.614 120.570 0.042 0.000 2.069 388 I HA -0.375 3.795 4.170 -0.000 0.000 0.237 388 I C 2.663 178.803 176.117 0.038 0.000 1.053 388 I CA 1.802 63.133 61.300 0.053 0.000 1.311 388 I CB -0.686 37.375 38.000 0.101 0.000 1.030 388 I HN 0.213 nan 8.210 nan 0.000 0.398 389 A N -0.164 122.674 122.820 0.031 0.000 2.093 389 A HA -0.195 4.125 4.320 -0.000 0.000 0.222 389 A C 2.069 179.660 177.584 0.012 0.000 1.162 389 A CA 2.100 54.148 52.037 0.019 0.000 0.655 389 A CB -0.586 18.416 19.000 0.003 0.000 0.805 389 A HN 0.498 nan 8.150 nan 0.000 0.461 390 I N -2.443 118.134 120.570 0.011 0.000 3.873 390 I HA 0.116 4.286 4.170 -0.000 0.000 0.284 390 I C 2.034 178.157 176.117 0.009 0.000 1.186 390 I CA 0.374 61.679 61.300 0.008 0.000 1.362 390 I CB -0.037 37.966 38.000 0.004 0.000 1.432 390 I HN 0.170 nan 8.210 nan 0.000 0.454 391 L N -0.259 120.971 121.223 0.011 0.000 2.121 391 L HA 0.452 4.792 4.340 -0.000 0.000 0.200 391 L C 0.767 177.644 176.870 0.012 0.000 1.077 391 L CA 0.648 55.494 54.840 0.010 0.000 0.766 391 L CB -0.491 41.573 42.059 0.010 0.000 0.931 391 L HN 0.337 nan 8.230 nan 0.000 0.452 392 G N -1.795 107.014 108.800 0.016 0.000 2.307 392 G HA2 0.028 3.988 3.960 -0.000 0.000 0.348 392 G HA3 0.028 3.988 3.960 -0.000 0.000 0.348 392 G C -0.275 174.635 174.900 0.017 0.000 1.603 392 G CA -0.540 44.570 45.100 0.015 0.000 0.961 392 G HN -0.083 nan 8.290 nan 0.000 0.686 393 M N 0.424 120.032 119.600 0.015 0.000 2.098 393 M HA 0.031 4.511 4.480 -0.000 0.000 0.262 393 M C 1.729 178.032 176.300 0.005 0.000 1.072 393 M CA 1.813 57.119 55.300 0.011 0.000 1.133 393 M CB -0.223 32.379 32.600 0.005 0.000 1.344 393 M HN 0.642 nan 8.290 nan 0.000 0.414 394 D N 0.357 120.759 120.400 0.003 0.000 2.663 394 D HA -0.028 4.612 4.640 -0.000 0.000 0.243 394 D C 0.481 176.783 176.300 0.003 0.000 1.218 394 D CA 0.327 54.328 54.000 0.001 0.000 0.846 394 D CB -0.462 40.338 40.800 -0.001 0.000 1.014 394 D HN 0.497 nan 8.370 nan 0.000 0.476 395 E N -0.321 119.882 120.200 0.005 0.000 2.290 395 E HA 0.056 4.406 4.350 -0.000 0.000 0.197 395 E C 0.545 177.148 176.600 0.006 0.000 0.948 395 E CA -0.532 55.871 56.400 0.006 0.000 0.895 395 E CB 0.525 30.229 29.700 0.008 0.000 0.865 395 E HN 0.126 nan 8.360 nan 0.000 0.486 396 L N 2.293 123.521 121.223 0.008 0.000 2.525 396 L HA 0.009 4.349 4.340 -0.000 0.000 0.278 396 L C 0.835 177.708 176.870 0.004 0.000 1.218 396 L CA 0.570 55.415 54.840 0.008 0.000 0.878 396 L CB 0.407 42.471 42.059 0.009 0.000 1.127 396 L HN 0.059 nan 8.230 nan 0.000 0.492 397 S N 2.625 118.328 115.700 0.005 0.000 2.561 397 S HA -0.078 4.392 4.470 -0.000 0.000 0.294 397 S C 1.449 176.049 174.600 -0.001 0.000 1.294 397 S CA -0.304 57.898 58.200 0.003 0.000 1.055 397 S CB 0.343 63.545 63.200 0.004 0.000 0.819 397 S HN 0.595 nan 8.310 nan 0.000 0.503 398 E N 2.863 123.062 120.200 -0.002 0.000 2.147 398 E HA -0.249 4.101 4.350 -0.000 0.000 0.199 398 E C 1.871 178.466 176.600 -0.007 0.000 1.005 398 E CA 1.724 58.121 56.400 -0.005 0.000 0.810 398 E CB -0.224 29.473 29.700 -0.005 0.000 0.736 398 E HN 0.880 nan 8.360 nan 0.000 0.460 399 Q N 0.201 119.998 119.800 -0.005 0.000 2.123 399 Q HA -0.155 4.185 4.340 -0.000 0.000 0.199 399 Q C 1.214 177.209 176.000 -0.008 0.000 0.966 399 Q CA 1.654 57.453 55.803 -0.005 0.000 0.845 399 Q CB 0.152 28.889 28.738 -0.001 0.000 0.907 399 Q HN 0.181 nan 8.270 nan 0.000 0.439 400 D N -0.047 120.351 120.400 -0.004 0.000 2.149 400 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 400 D C 1.570 177.860 176.300 -0.017 0.000 0.972 400 D CA 0.948 54.947 54.000 -0.002 0.000 0.835 400 D CB -0.046 40.760 40.800 0.010 0.000 0.966 400 D HN 0.151 nan 8.370 nan 0.000 0.476 401 K N 0.563 120.951 120.400 -0.019 0.000 2.063 401 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 401 K C 2.043 178.613 176.600 -0.050 0.000 1.048 401 K CA 0.830 57.097 56.287 -0.033 0.000 0.928 401 K CB -0.214 32.273 32.500 -0.022 0.000 0.713 401 K HN 0.113 nan 8.250 nan 0.000 0.442 402 L N 1.242 122.441 121.223 -0.039 0.000 2.046 402 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 402 L C 2.040 178.875 176.870 -0.059 0.000 1.077 402 L CA 2.014 56.828 54.840 -0.043 0.000 0.747 402 L CB -0.670 41.372 42.059 -0.028 0.000 0.896 402 L HN 0.174 nan 8.230 nan 0.000 0.432 403 T N -1.098 113.426 114.554 -0.050 0.000 2.708 403 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 403 T C 1.908 176.542 174.700 -0.110 0.000 1.037 403 T CA 1.708 63.776 62.100 -0.052 0.000 1.146 403 T CB -0.386 68.470 68.868 -0.019 0.000 0.865 403 T HN 0.216 nan 8.240 nan 0.000 0.435 404 V N 1.245 121.070 119.914 -0.148 0.000 2.427 404 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 404 V C 2.458 178.334 176.094 -0.364 0.000 1.051 404 V CA 1.537 63.640 62.300 -0.328 0.000 1.048 404 V CB -0.575 31.093 31.823 -0.258 0.000 0.666 404 V HN 0.506 nan 8.190 nan 0.000 0.456 405 E N -0.200 119.874 120.200 -0.210 0.000 2.077 405 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 405 E C 2.549 179.037 176.600 -0.187 0.000 0.989 405 E CA 1.152 57.450 56.400 -0.171 0.000 0.800 405 E CB -0.134 29.506 29.700 -0.101 0.000 0.746 405 E HN 0.464 nan 8.360 nan 0.000 0.452 406 R N 0.081 120.484 120.500 -0.162 0.000 2.075 406 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 406 R C 2.379 178.581 176.300 -0.163 0.000 1.126 406 R CA 0.995 56.999 56.100 -0.159 0.000 0.963 406 R CB -0.327 29.917 30.300 -0.094 0.000 0.858 406 R HN 0.119 nan 8.270 nan 0.000 0.435 407 A N 1.339 124.057 122.820 -0.169 0.000 1.908 407 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 407 A C 2.135 179.639 177.584 -0.134 0.000 1.181 407 A CA 1.378 53.339 52.037 -0.127 0.000 0.627 407 A CB -0.396 18.491 19.000 -0.189 0.000 0.818 407 A HN 0.243 nan 8.150 nan 0.000 0.445 408 R N -0.653 119.680 120.500 -0.278 0.000 2.115 408 R HA -0.035 4.305 4.340 -0.000 0.000 0.226 408 R C 2.133 178.368 176.300 -0.108 0.000 1.100 408 R CA 1.416 57.419 56.100 -0.162 0.000 0.980 408 R CB -0.165 30.012 30.300 -0.206 0.000 0.875 408 R HN 0.514 nan 8.270 nan 0.000 0.445 409 K N 0.346 120.607 120.400 -0.231 0.000 2.076 409 K HA -0.008 4.312 4.320 -0.000 0.000 0.204 409 K C 1.981 178.342 176.600 -0.399 0.000 1.051 409 K CA 0.904 56.911 56.287 -0.467 0.000 0.949 409 K CB 0.020 31.995 32.500 -0.874 0.000 0.726 409 K HN 0.094 nan 8.250 nan 0.000 0.443 410 I N 1.488 121.941 120.570 -0.195 0.000 2.361 410 I HA -0.290 3.880 4.170 -0.000 0.000 0.251 410 I C 2.450 178.697 176.117 0.216 0.000 1.133 410 I CA 1.207 62.558 61.300 0.084 0.000 1.413 410 I CB -0.039 38.059 38.000 0.164 0.000 1.073 410 I HN 0.256 nan 8.210 nan 0.000 0.424 411 Q N 0.161 120.043 119.800 0.137 0.000 2.020 411 Q HA -0.231 4.109 4.340 -0.000 0.000 0.202 411 Q C 2.363 178.481 176.000 0.196 0.000 0.982 411 Q CA 1.607 57.511 55.803 0.167 0.000 0.838 411 Q CB -0.076 28.759 28.738 0.160 0.000 0.899 411 Q HN 0.403 nan 8.270 nan 0.000 0.423 412 R N -0.623 119.990 120.500 0.188 0.000 2.148 412 R HA -0.100 4.240 4.340 -0.000 0.000 0.227 412 R C 2.062 178.571 176.300 0.349 0.000 1.103 412 R CA 0.735 57.000 56.100 0.274 0.000 0.983 412 R CB -0.129 30.334 30.300 0.272 0.000 0.874 412 R HN 0.183 nan 8.270 nan 0.000 0.451 413 F N 1.397 121.416 119.950 0.115 0.000 2.102 413 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 413 F C 1.739 177.679 175.800 0.233 0.000 1.105 413 F CA 1.244 59.323 58.000 0.132 0.000 1.239 413 F CB -0.611 38.316 39.000 -0.122 0.000 0.991 413 F HN -0.068 nan 8.300 nan 0.000 0.474 414 L N 0.095 121.542 121.223 0.374 0.000 2.021 414 L HA -0.231 4.109 4.340 -0.000 0.000 0.215 414 L C 1.498 178.432 176.870 0.108 0.000 1.074 414 L CA 1.223 56.194 54.840 0.218 0.000 0.760 414 L CB -1.266 40.894 42.059 0.169 0.000 0.889 414 L HN 0.211 nan 8.230 nan 0.000 0.433 415 S N 0.072 115.839 115.700 0.112 0.000 2.558 415 S HA 0.070 4.540 4.470 -0.000 0.000 0.288 415 S C -0.256 174.304 174.600 -0.067 0.000 1.318 415 S CA -0.295 57.917 58.200 0.020 0.000 1.056 415 S CB 1.161 64.388 63.200 0.045 0.000 0.853 415 S HN 0.346 nan 8.310 nan 0.000 0.505 416 Q N 2.331 122.025 119.800 -0.177 0.000 2.268 416 Q HA 0.388 4.728 4.340 -0.000 0.000 0.266 416 Q C -2.950 172.841 176.000 -0.348 0.000 1.006 416 Q CA -2.287 53.397 55.803 -0.200 0.000 0.824 416 Q CB 2.145 30.831 28.738 -0.086 0.000 1.306 416 Q HN 0.539 nan 8.270 nan 0.000 0.424 417 P HA 0.032 nan 4.420 nan 0.000 0.263 417 P C -1.050 176.278 177.300 0.047 0.000 1.195 417 P CA 0.319 63.351 63.100 -0.113 0.000 0.762 417 P CB 0.139 31.807 31.700 -0.053 0.000 0.799 418 F N 1.684 121.619 119.950 -0.026 0.000 2.422 418 F HA 0.386 4.913 4.527 -0.000 0.000 0.333 418 F C 1.713 177.492 175.800 -0.035 0.000 1.095 418 F CA -1.609 56.366 58.000 -0.043 0.000 1.038 418 F CB 0.681 39.651 39.000 -0.051 0.000 1.156 418 F HN 0.360 nan 8.300 nan 0.000 0.483 419 A N 2.478 125.385 122.820 0.146 0.000 1.986 419 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 419 A C 1.842 179.446 177.584 0.033 0.000 1.171 419 A CA 2.120 54.187 52.037 0.049 0.000 0.640 419 A CB -0.783 18.218 19.000 0.002 0.000 0.811 419 A HN 0.535 nan 8.150 nan 0.000 0.451 420 V N -1.260 118.689 119.914 0.058 0.000 3.235 420 V HA 0.068 4.188 4.120 -0.000 0.000 0.259 420 V C 2.447 178.590 176.094 0.080 0.000 1.133 420 V CA 1.196 63.521 62.300 0.041 0.000 1.128 420 V CB -0.391 31.452 31.823 0.033 0.000 0.757 420 V HN 0.570 nan 8.190 nan 0.000 0.469 421 A N -0.603 122.314 122.820 0.162 0.000 2.238 421 A HA 0.036 4.356 4.320 -0.000 0.000 0.210 421 A C 2.058 179.675 177.584 0.054 0.000 1.179 421 A CA 0.504 52.666 52.037 0.209 0.000 0.827 421 A CB -0.254 18.871 19.000 0.208 0.000 0.856 421 A HN 0.492 nan 8.150 nan 0.000 0.488 422 E N 0.541 120.732 120.200 -0.016 0.000 2.114 422 E HA -0.208 4.142 4.350 -0.000 0.000 0.199 422 E C 1.716 178.242 176.600 -0.123 0.000 1.008 422 E CA 2.103 58.473 56.400 -0.050 0.000 0.810 422 E CB -0.155 29.516 29.700 -0.048 0.000 0.739 422 E HN 0.581 nan 8.360 nan 0.000 0.456 423 V N -1.877 117.862 119.914 -0.291 0.000 3.444 423 V HA -0.068 4.052 4.120 -0.000 0.000 0.271 423 V C 1.375 177.185 176.094 -0.473 0.000 1.188 423 V CA 0.925 62.984 62.300 -0.403 0.000 1.168 423 V CB -0.740 30.787 31.823 -0.493 0.000 0.810 423 V HN 0.119 nan 8.190 nan 0.000 0.500 424 F N 1.489 121.425 119.950 -0.022 0.000 2.653 424 F HA 0.188 4.715 4.527 -0.000 0.000 0.288 424 F C 2.444 178.235 175.800 -0.015 0.000 1.121 424 F CA 0.928 58.909 58.000 -0.031 0.000 1.384 424 F CB -0.643 38.307 39.000 -0.084 0.000 1.115 424 F HN 0.256 nan 8.300 nan 0.000 0.599 425 T N -3.952 110.677 114.554 0.125 0.000 3.023 425 T HA 0.379 4.729 4.350 -0.000 0.000 0.249 425 T C 1.921 176.662 174.700 0.069 0.000 1.050 425 T CA 0.631 62.789 62.100 0.098 0.000 1.088 425 T CB -0.039 68.867 68.868 0.062 0.000 0.946 425 T HN 0.364 nan 8.240 nan 0.000 0.480 426 G N 1.715 110.535 108.800 0.034 0.000 2.155 426 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.257 426 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.257 426 G C -0.031 174.881 174.900 0.020 0.000 0.983 426 G CA 0.419 45.533 45.100 0.024 0.000 0.676 426 G HN 0.687 nan 8.290 nan 0.000 0.528 427 I N 0.678 121.257 120.570 0.015 0.000 2.474 427 I HA 0.413 4.583 4.170 -0.000 0.000 0.294 427 I C -2.299 173.817 176.117 -0.001 0.000 1.005 427 I CA -2.780 58.523 61.300 0.006 0.000 1.113 427 I CB 2.235 40.232 38.000 -0.005 0.000 1.289 427 I HN -0.203 nan 8.210 nan 0.000 0.436 428 P HA 0.131 nan 4.420 nan 0.000 0.271 428 P C 0.039 177.342 177.300 0.005 0.000 1.220 428 P CA -0.204 62.895 63.100 -0.002 0.000 0.768 428 P CB 0.607 32.304 31.700 -0.004 0.000 0.848 429 G N 3.539 112.349 108.800 0.017 0.000 2.406 429 G HA2 0.217 4.177 3.960 -0.000 0.000 0.251 429 G HA3 0.217 4.177 3.960 -0.000 0.000 0.251 429 G C -0.386 174.539 174.900 0.042 0.000 1.271 429 G CA -0.347 44.780 45.100 0.045 0.000 0.859 429 G HN 0.256 nan 8.290 nan 0.000 0.540 430 K N 1.902 122.336 120.400 0.057 0.000 2.292 430 K HA 0.353 4.673 4.320 -0.000 0.000 0.257 430 K C -0.760 175.880 176.600 0.067 0.000 0.940 430 K CA -0.684 55.630 56.287 0.045 0.000 0.811 430 K CB 2.669 35.185 32.500 0.027 0.000 1.120 430 K HN 0.424 nan 8.250 nan 0.000 0.428 431 L N 2.735 123.981 121.223 0.039 0.000 2.309 431 L HA 0.423 4.763 4.340 -0.000 0.000 0.282 431 L C -0.997 175.888 176.870 0.026 0.000 1.036 431 L CA -0.805 54.053 54.840 0.029 0.000 0.806 431 L CB 1.300 43.362 42.059 0.005 0.000 1.220 431 L HN 0.221 nan 8.230 nan 0.000 0.429 432 V N 4.522 124.452 119.914 0.026 0.000 2.407 432 V HA 0.513 4.633 4.120 -0.000 0.000 0.291 432 V C 0.555 176.658 176.094 0.016 0.000 1.018 432 V CA -0.643 61.670 62.300 0.022 0.000 0.842 432 V CB 1.180 33.014 31.823 0.018 0.000 0.996 432 V HN 0.928 nan 8.190 nan 0.000 0.426 433 R N 2.805 123.316 120.500 0.019 0.000 2.640 433 R HA 0.284 4.624 4.340 -0.000 0.000 0.270 433 R C 1.087 177.398 176.300 0.017 0.000 1.024 433 R CA 0.687 56.798 56.100 0.019 0.000 1.085 433 R CB -0.392 29.921 30.300 0.022 0.000 0.963 433 R HN 0.893 nan 8.270 nan 0.000 0.426 434 L N 1.574 122.807 121.223 0.017 0.000 1.978 434 L HA -0.257 4.083 4.340 -0.000 0.000 0.218 434 L C 2.623 179.495 176.870 0.003 0.000 1.075 434 L CA 2.475 57.323 54.840 0.013 0.000 0.767 434 L CB -0.191 41.894 42.059 0.043 0.000 0.890 434 L HN 0.877 nan 8.230 nan 0.000 0.434 435 K N -0.575 119.837 120.400 0.021 0.000 2.113 435 K HA -0.221 4.098 4.320 -0.000 0.000 0.208 435 K C 1.809 178.426 176.600 0.028 0.000 1.047 435 K CA 1.845 58.145 56.287 0.022 0.000 0.928 435 K CB -0.312 32.208 32.500 0.033 0.000 0.716 435 K HN 0.532 nan 8.250 nan 0.000 0.446 436 D N -0.316 120.106 120.400 0.038 0.000 2.183 436 D HA -0.082 4.558 4.640 -0.000 0.000 0.203 436 D C 1.755 178.107 176.300 0.086 0.000 0.969 436 D CA 1.149 55.185 54.000 0.060 0.000 0.842 436 D CB 0.036 40.868 40.800 0.054 0.000 0.957 436 D HN 0.184 nan 8.370 nan 0.000 0.484 437 T N 0.860 115.450 114.554 0.060 0.000 2.737 437 T HA -0.085 4.265 4.350 -0.000 0.000 0.265 437 T C 2.346 177.136 174.700 0.151 0.000 1.038 437 T CA 0.696 62.855 62.100 0.098 0.000 1.144 437 T CB -0.265 68.601 68.868 -0.004 0.000 0.866 437 T HN -0.048 nan 8.240 nan 0.000 0.434 438 V N 1.994 121.895 119.914 -0.021 0.000 2.287 438 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 438 V C 2.916 179.055 176.094 0.074 0.000 1.053 438 V CA 1.867 64.118 62.300 -0.082 0.000 1.027 438 V CB -1.288 30.389 31.823 -0.243 0.000 0.646 438 V HN 0.540 nan 8.190 nan 0.000 0.447 439 A N -0.652 122.219 122.820 0.086 0.000 1.972 439 A HA -0.180 4.140 4.320 -0.000 0.000 0.219 439 A C 2.461 180.155 177.584 0.183 0.000 1.169 439 A CA 2.129 54.236 52.037 0.115 0.000 0.635 439 A CB -0.566 18.489 19.000 0.092 0.000 0.810 439 A HN 0.507 nan 8.150 nan 0.000 0.446 440 S N -1.152 114.690 115.700 0.238 0.000 2.387 440 S HA 0.004 4.474 4.470 -0.000 0.000 0.226 440 S C 1.546 176.357 174.600 0.352 0.000 1.026 440 S CA 1.121 59.512 58.200 0.318 0.000 0.972 440 S CB -0.412 63.016 63.200 0.380 0.000 0.814 440 S HN 0.556 nan 8.310 nan 0.000 0.477 441 F N 1.854 121.958 119.950 0.257 0.000 2.149 441 F HA 0.114 4.641 4.527 -0.000 0.000 0.294 441 F C 2.331 178.223 175.800 0.153 0.000 1.095 441 F CA 0.895 59.034 58.000 0.232 0.000 1.276 441 F CB -0.379 38.682 39.000 0.103 0.000 1.023 441 F HN 0.028 nan 8.300 nan 0.000 0.480 442 K N 0.744 121.307 120.400 0.271 0.000 2.089 442 K HA -0.268 4.052 4.320 -0.000 0.000 0.210 442 K C 2.175 178.852 176.600 0.129 0.000 1.048 442 K CA 1.551 57.935 56.287 0.161 0.000 0.926 442 K CB -0.391 32.178 32.500 0.114 0.000 0.714 442 K HN 0.250 nan 8.250 nan 0.000 0.448 443 A N 0.589 123.498 122.820 0.148 0.000 1.902 443 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 443 A C 2.266 179.900 177.584 0.084 0.000 1.181 443 A CA 1.700 53.800 52.037 0.105 0.000 0.623 443 A CB -0.592 18.520 19.000 0.187 0.000 0.818 443 A HN 0.196 nan 8.150 nan 0.000 0.443 444 V N -0.007 120.010 119.914 0.172 0.000 2.427 444 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 444 V C 2.521 178.649 176.094 0.058 0.000 1.051 444 V CA 1.772 64.152 62.300 0.134 0.000 1.048 444 V CB -0.673 31.181 31.823 0.051 0.000 0.666 444 V HN 0.558 nan 8.190 nan 0.000 0.456 445 L N -0.426 120.848 121.223 0.084 0.000 2.131 445 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 445 L C 2.388 179.274 176.870 0.027 0.000 1.092 445 L CA 1.474 56.351 54.840 0.062 0.000 0.759 445 L CB -0.429 41.684 42.059 0.091 0.000 0.903 445 L HN 0.341 nan 8.230 nan 0.000 0.435 446 E N -0.415 119.795 120.200 0.016 0.000 2.478 446 E HA -0.060 4.290 4.350 -0.000 0.000 0.198 446 E C 1.391 177.967 176.600 -0.040 0.000 1.046 446 E CA 0.644 57.036 56.400 -0.012 0.000 0.870 446 E CB 0.069 29.758 29.700 -0.019 0.000 0.818 446 E HN 0.528 nan 8.360 nan 0.000 0.527 447 G N 0.674 109.448 108.800 -0.045 0.000 2.176 447 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.232 447 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.232 447 G C 0.889 175.725 174.900 -0.106 0.000 0.986 447 G CA 0.426 45.493 45.100 -0.054 0.000 0.643 447 G HN 0.227 nan 8.290 nan 0.000 0.522 448 K N -0.810 119.463 120.400 -0.212 0.000 2.103 448 K HA -0.089 4.231 4.320 -0.000 0.000 0.207 448 K C 0.756 177.048 176.600 -0.513 0.000 1.048 448 K CA 1.658 57.678 56.287 -0.445 0.000 0.930 448 K CB -0.131 31.947 32.500 -0.703 0.000 0.716 448 K HN 0.581 nan 8.250 nan 0.000 0.444 449 Y N 0.602 120.912 120.300 0.016 0.000 2.764 449 Y HA 0.149 4.699 4.550 -0.000 0.000 0.350 449 Y C 0.585 176.521 175.900 0.060 0.000 0.982 449 Y CA -0.674 57.449 58.100 0.038 0.000 1.431 449 Y CB 0.199 38.700 38.460 0.068 0.000 1.326 449 Y HN -0.056 nan 8.280 nan 0.000 0.550 450 D N 0.779 121.233 120.400 0.090 0.000 2.183 450 D HA -0.151 4.489 4.640 -0.000 0.000 0.203 450 D C 1.838 178.177 176.300 0.064 0.000 0.969 450 D CA 1.270 55.303 54.000 0.055 0.000 0.842 450 D CB 0.070 40.873 40.800 0.005 0.000 0.957 450 D HN 0.472 nan 8.370 nan 0.000 0.484 451 N N 0.595 119.334 118.700 0.065 0.000 2.412 451 N HA -0.071 4.669 4.740 -0.000 0.000 0.184 451 N C 0.361 175.913 175.510 0.070 0.000 1.101 451 N CA -0.112 52.969 53.050 0.053 0.000 0.881 451 N CB -0.057 38.448 38.487 0.030 0.000 0.969 451 N HN 0.047 nan 8.380 nan 0.000 0.459 452 I N 3.344 123.981 120.570 0.112 0.000 2.618 452 I HA 0.114 4.284 4.170 -0.000 0.000 0.284 452 I C -1.599 174.601 176.117 0.137 0.000 1.146 452 I CA -1.641 59.711 61.300 0.087 0.000 1.425 452 I CB 0.497 38.525 38.000 0.047 0.000 1.383 452 I HN 0.108 nan 8.210 nan 0.000 0.562 453 P HA 0.074 nan 4.420 nan 0.000 0.286 453 P C 0.244 177.667 177.300 0.206 0.000 1.293 453 P CA -0.292 62.873 63.100 0.109 0.000 0.770 453 P CB 0.775 32.514 31.700 0.065 0.000 1.206 454 E N -1.315 118.997 120.200 0.187 0.000 2.190 454 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 454 E C 1.754 178.514 176.600 0.266 0.000 0.978 454 E CA 0.389 56.926 56.400 0.228 0.000 0.839 454 E CB -0.131 29.642 29.700 0.121 0.000 0.787 454 E HN 0.474 nan 8.360 nan 0.000 0.473 455 H N -0.209 118.934 119.070 0.122 0.000 2.470 455 H HA 0.130 4.686 4.556 -0.000 0.000 0.289 455 H C 1.703 177.100 175.328 0.115 0.000 1.033 455 H CA 1.287 57.414 56.048 0.131 0.000 1.331 455 H CB 0.051 29.860 29.762 0.078 0.000 1.414 455 H HN 0.214 nan 8.280 nan 0.000 0.545 456 A N -0.298 122.542 122.820 0.033 0.000 2.032 456 A HA -0.185 4.135 4.320 -0.000 0.000 0.221 456 A C 1.721 179.089 177.584 -0.360 0.000 1.165 456 A CA 1.657 53.573 52.037 -0.202 0.000 0.645 456 A CB -0.938 17.863 19.000 -0.332 0.000 0.807 456 A HN 0.475 nan 8.150 nan 0.000 0.453 457 F N -2.837 117.039 119.950 -0.123 0.000 2.619 457 F HA 0.169 4.696 4.527 0.000 0.000 0.293 457 F C 0.888 176.687 175.800 -0.001 0.000 1.119 457 F CA -0.116 57.806 58.000 -0.129 0.000 1.445 457 F CB -0.214 38.694 39.000 -0.153 0.000 1.119 457 F HN 0.282 nan 8.300 nan 0.000 0.573 458 Y N 1.740 122.030 120.300 -0.017 0.000 2.569 458 Y HA 0.252 4.802 4.550 -0.000 0.000 0.332 458 Y C 0.651 176.493 175.900 -0.096 0.000 1.120 458 Y CA -1.365 56.688 58.100 -0.079 0.000 1.416 458 Y CB 0.132 38.455 38.460 -0.228 0.000 1.210 458 Y HN 0.190 nan 8.280 nan 0.000 0.528 459 M N 5.649 124.868 119.600 -0.635 0.000 2.632 459 M HA -0.174 4.306 4.480 -0.000 0.000 0.184 459 M C -1.551 174.571 176.300 -0.296 0.000 0.976 459 M CA 1.250 56.158 55.300 -0.652 0.000 0.612 459 M CB -1.380 30.511 32.600 -1.182 0.000 1.181 459 M HN 0.523 nan 8.290 nan 0.000 0.840 460 V N -2.166 117.673 119.914 -0.125 0.000 4.821 460 V HA 1.107 5.227 4.120 -0.000 0.000 0.304 460 V C 0.744 176.846 176.094 0.012 0.000 1.525 460 V CA -0.109 62.162 62.300 -0.049 0.000 0.847 460 V CB 0.805 32.605 31.823 -0.039 0.000 1.269 460 V HN 0.559 nan 8.190 nan 0.000 0.454 461 G N -0.844 107.989 108.800 0.054 0.000 3.387 461 G HA2 0.654 4.614 3.960 -0.000 0.000 0.194 461 G HA3 0.654 4.614 3.960 -0.000 0.000 0.194 461 G C 0.362 175.343 174.900 0.136 0.000 1.417 461 G CA -0.022 45.116 45.100 0.063 0.000 0.777 461 G HN 1.238 nan 8.290 nan 0.000 0.721 462 G N -0.531 108.342 108.800 0.121 0.000 2.508 462 G HA2 0.379 4.339 3.960 -0.000 0.000 0.278 462 G HA3 0.379 4.339 3.960 -0.000 0.000 0.278 462 G C 1.296 176.340 174.900 0.239 0.000 1.389 462 G CA 0.120 45.340 45.100 0.200 0.000 1.050 462 G HN 0.813 nan 8.290 nan 0.000 0.522 463 I N -2.516 118.160 120.570 0.177 0.000 2.493 463 I HA -0.017 4.153 4.170 -0.000 0.000 0.254 463 I C 2.041 178.035 176.117 -0.206 0.000 1.160 463 I CA 1.325 62.551 61.300 -0.124 0.000 1.445 463 I CB -0.336 37.571 38.000 -0.156 0.000 1.086 463 I HN 0.463 nan 8.210 nan 0.000 0.433 464 E N 1.645 121.797 120.200 -0.080 0.000 2.153 464 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 464 E C 1.429 177.965 176.600 -0.107 0.000 0.988 464 E CA 1.502 57.854 56.400 -0.080 0.000 0.811 464 E CB -0.119 29.565 29.700 -0.027 0.000 0.746 464 E HN 0.609 nan 8.360 nan 0.000 0.466 465 D N -0.252 120.090 120.400 -0.096 0.000 2.234 465 D HA -0.082 4.558 4.640 -0.000 0.000 0.205 465 D C 1.919 178.098 176.300 -0.200 0.000 0.962 465 D CA 0.514 54.451 54.000 -0.106 0.000 0.855 465 D CB 0.096 40.866 40.800 -0.051 0.000 0.951 465 D HN 0.052 nan 8.370 nan 0.000 0.500 466 V N 0.290 120.004 119.914 -0.332 0.000 2.591 466 V HA -0.098 4.022 4.120 -0.000 0.000 0.249 466 V C 2.472 178.284 176.094 -0.470 0.000 1.053 466 V CA 0.655 62.619 62.300 -0.561 0.000 1.068 466 V CB -0.274 30.928 31.823 -1.036 0.000 0.689 466 V HN 0.045 nan 8.190 nan 0.000 0.462 467 V N 0.540 120.226 119.914 -0.380 0.000 2.667 467 V HA -0.084 4.036 4.120 -0.000 0.000 0.252 467 V C 2.451 178.449 176.094 -0.160 0.000 1.065 467 V CA 1.781 63.932 62.300 -0.249 0.000 1.083 467 V CB -0.537 31.178 31.823 -0.181 0.000 0.692 467 V HN 0.550 nan 8.190 nan 0.000 0.468 468 A N -1.018 121.712 122.820 -0.150 0.000 2.238 468 A HA 0.049 4.369 4.320 -0.000 0.000 0.210 468 A C 2.167 179.694 177.584 -0.096 0.000 1.179 468 A CA 0.819 52.797 52.037 -0.100 0.000 0.827 468 A CB -0.070 18.884 19.000 -0.076 0.000 0.856 468 A HN 0.468 nan 8.150 nan 0.000 0.488 469 K N -0.572 119.747 120.400 -0.135 0.000 2.214 469 K HA 0.264 4.584 4.320 -0.000 0.000 0.201 469 K C 2.011 178.555 176.600 -0.094 0.000 1.049 469 K CA 0.824 57.047 56.287 -0.108 0.000 0.978 469 K CB -0.073 32.344 32.500 -0.138 0.000 0.842 469 K HN 0.271 nan 8.250 nan 0.000 0.474 470 A N 1.046 123.780 122.820 -0.143 0.000 1.968 470 A HA -0.087 4.233 4.320 -0.000 0.000 0.217 470 A C 1.366 178.910 177.584 -0.067 0.000 1.169 470 A CA 1.294 53.265 52.037 -0.109 0.000 0.638 470 A CB -0.222 18.684 19.000 -0.156 0.000 0.812 470 A HN 0.370 nan 8.150 nan 0.000 0.446 471 E N -0.988 119.170 120.200 -0.070 0.000 2.465 471 E HA 0.063 4.413 4.350 -0.000 0.000 0.191 471 E C 1.562 178.142 176.600 -0.034 0.000 1.053 471 E CA 0.079 56.452 56.400 -0.044 0.000 0.869 471 E CB 0.221 29.895 29.700 -0.043 0.000 0.977 471 E HN 0.587 nan 8.360 nan 0.000 0.483 472 K N 0.383 120.762 120.400 -0.035 0.000 2.276 472 K HA 0.094 4.414 4.320 -0.000 0.000 0.198 472 K C 1.500 178.093 176.600 -0.010 0.000 1.052 472 K CA 0.186 56.461 56.287 -0.021 0.000 0.984 472 K CB 0.353 32.841 32.500 -0.020 0.000 0.836 472 K HN 0.112 nan 8.250 nan 0.000 0.490 473 L N 0.771 121.989 121.223 -0.009 0.000 2.465 473 L HA 0.032 4.372 4.340 -0.000 0.000 0.224 473 L C 2.272 179.139 176.870 -0.005 0.000 1.145 473 L CA 0.486 55.326 54.840 -0.001 0.000 0.834 473 L CB -0.268 41.796 42.059 0.008 0.000 0.944 473 L HN 0.172 nan 8.230 nan 0.000 0.451 474 A N 0.262 123.076 122.820 -0.011 0.000 1.978 474 A HA 0.176 4.496 4.320 -0.000 0.000 0.220 474 A C 1.273 178.853 177.584 -0.007 0.000 1.170 474 A CA 1.622 53.654 52.037 -0.009 0.000 0.636 474 A CB -0.240 18.753 19.000 -0.012 0.000 0.810 474 A HN 0.411 nan 8.150 nan 0.000 0.448 475 A N 0.000 122.816 122.820 -0.007 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 475 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486