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 2hld_1_N 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 PSAVGYQPTL 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 0.000 174.604 174.600 0.006 0.000 1.055 6 S CA 0.000 58.203 58.200 0.004 0.000 1.107 6 S CB 0.000 63.202 63.200 0.003 0.000 0.593 7 T N 5.404 119.962 114.554 0.007 0.000 2.781 7 T HA 0.639 4.989 4.350 -0.000 0.000 0.305 7 T C -2.880 171.829 174.700 0.016 0.000 1.001 7 T CA -0.920 61.186 62.100 0.010 0.000 0.950 7 T CB 1.151 70.024 68.868 0.009 0.000 0.955 7 T HN 0.387 nan 8.240 nan 0.000 0.471 8 P HA 0.316 nan 4.420 nan 0.000 0.276 8 P C -0.441 176.885 177.300 0.043 0.000 1.264 8 P CA -0.388 62.728 63.100 0.028 0.000 0.769 8 P CB 0.306 32.020 31.700 0.023 0.000 0.840 9 I N 2.544 123.150 120.570 0.060 0.000 2.471 9 I HA 0.154 4.324 4.170 -0.000 0.000 0.286 9 I C 0.722 176.939 176.117 0.168 0.000 1.079 9 I CA 0.432 61.796 61.300 0.106 0.000 1.398 9 I CB 0.410 38.460 38.000 0.084 0.000 1.403 9 I HN 0.237 nan 8.210 nan 0.000 0.530 10 T N 4.711 119.357 114.554 0.153 0.000 2.824 10 T HA 0.641 4.991 4.350 -0.000 0.000 0.282 10 T C 0.125 174.764 174.700 -0.101 0.000 0.993 10 T CA -0.605 61.528 62.100 0.054 0.000 0.967 10 T CB 1.740 70.612 68.868 0.006 0.000 0.960 10 T HN 0.831 nan 8.240 nan 0.000 0.441 11 G N 1.894 110.438 108.800 -0.428 0.000 2.816 11 G HA2 0.774 4.734 3.960 -0.000 0.000 0.288 11 G HA3 0.774 4.734 3.960 -0.000 0.000 0.288 11 G C -1.425 173.211 174.900 -0.439 0.000 1.334 11 G CA -0.765 43.805 45.100 -0.884 0.000 0.978 11 G HN 0.557 nan 8.290 nan 0.000 0.493 12 K N -0.458 119.735 120.400 -0.345 0.000 2.371 12 K HA 0.508 4.828 4.320 -0.000 0.000 0.251 12 K C -0.816 175.707 176.600 -0.130 0.000 0.934 12 K CA -0.739 55.449 56.287 -0.166 0.000 0.798 12 K CB 2.952 35.403 32.500 -0.081 0.000 1.204 12 K HN 0.221 nan 8.250 nan 0.000 0.427 13 V N 3.049 122.911 119.914 -0.087 0.000 2.479 13 V HA -0.046 4.074 4.120 -0.000 0.000 0.281 13 V C 1.334 177.404 176.094 -0.038 0.000 1.031 13 V CA 0.677 62.946 62.300 -0.053 0.000 1.038 13 V CB 0.662 32.463 31.823 -0.036 0.000 0.981 13 V HN 1.051 nan 8.190 nan 0.000 0.478 14 T N 1.725 116.264 114.554 -0.024 0.000 3.037 14 T HA 0.505 4.855 4.350 -0.000 0.000 0.252 14 T C 0.459 175.148 174.700 -0.018 0.000 1.073 14 T CA 0.492 62.576 62.100 -0.025 0.000 1.091 14 T CB 0.468 69.324 68.868 -0.020 0.000 0.935 14 T HN 0.953 nan 8.240 nan 0.000 0.488 15 A N 0.542 123.357 122.820 -0.008 0.000 2.540 15 A HA 0.656 4.976 4.320 -0.000 0.000 0.297 15 A C -1.476 176.107 177.584 -0.000 0.000 1.056 15 A CA -0.708 51.326 52.037 -0.004 0.000 0.700 15 A CB 1.782 20.782 19.000 0.001 0.000 1.280 15 A HN 0.256 nan 8.150 nan 0.000 0.398 16 V N 3.102 123.015 119.914 -0.002 0.000 2.443 16 V HA 0.521 4.641 4.120 -0.000 0.000 0.293 16 V C -0.676 175.418 176.094 0.000 0.000 1.021 16 V CA -0.087 62.214 62.300 0.000 0.000 0.848 16 V CB 1.173 32.995 31.823 -0.002 0.000 0.998 16 V HN 0.706 nan 8.190 nan 0.000 0.424 17 I N 4.477 125.048 120.570 0.003 0.000 2.493 17 I HA 0.593 4.763 4.170 -0.000 0.000 0.279 17 I C 1.109 177.227 176.117 0.002 0.000 1.045 17 I CA -0.132 61.169 61.300 0.001 0.000 1.106 17 I CB 1.362 39.363 38.000 0.002 0.000 1.216 17 I HN 0.812 nan 8.210 nan 0.000 0.459 18 G N 4.791 113.592 108.800 0.000 0.000 2.660 18 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.321 18 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.321 18 G C 0.903 175.804 174.900 0.002 0.000 1.246 18 G CA 0.667 45.767 45.100 0.000 0.000 1.000 18 G HN 0.838 nan 8.290 nan 0.000 0.550 19 A N -0.478 122.343 122.820 0.002 0.000 2.278 19 A HA 0.546 4.866 4.320 -0.000 0.000 0.212 19 A C 0.857 178.447 177.584 0.009 0.000 1.213 19 A CA 0.644 52.684 52.037 0.005 0.000 0.840 19 A CB -0.094 18.908 19.000 0.002 0.000 0.866 19 A HN 0.535 nan 8.150 nan 0.000 0.489 20 I N 1.003 121.578 120.570 0.008 0.000 2.336 20 I HA 0.383 4.553 4.170 -0.000 0.000 0.292 20 I C -0.615 175.511 176.117 0.015 0.000 0.991 20 I CA -0.602 60.706 61.300 0.013 0.000 1.227 20 I CB 1.223 39.230 38.000 0.011 0.000 1.366 20 I HN -0.133 nan 8.210 nan 0.000 0.466 21 V N 5.390 125.317 119.914 0.022 0.000 2.638 21 V HA 0.406 4.526 4.120 -0.000 0.000 0.306 21 V C -0.784 175.330 176.094 0.032 0.000 1.052 21 V CA -0.822 61.491 62.300 0.022 0.000 0.885 21 V CB 2.539 34.375 31.823 0.021 0.000 0.999 21 V HN 0.559 nan 8.190 nan 0.000 0.424 22 D N 3.054 123.470 120.400 0.028 0.000 2.256 22 D HA 0.610 5.250 4.640 -0.000 0.000 0.240 22 D C -0.554 175.766 176.300 0.034 0.000 1.062 22 D CA -0.069 53.955 54.000 0.040 0.000 0.832 22 D CB 2.229 43.050 40.800 0.034 0.000 1.135 22 D HN 0.271 nan 8.370 nan 0.000 0.484 23 V N 2.276 122.224 119.914 0.057 0.000 2.628 23 V HA 0.263 4.383 4.120 -0.000 0.000 0.306 23 V C -0.098 176.015 176.094 0.030 0.000 1.045 23 V CA -0.882 61.417 62.300 -0.001 0.000 0.905 23 V CB 2.168 33.979 31.823 -0.020 0.000 0.997 23 V HN 0.558 nan 8.190 nan 0.000 0.436 24 H N 3.450 122.406 119.070 -0.191 0.000 2.457 24 H HA 0.617 5.173 4.556 -0.000 0.000 0.335 24 H C -1.785 173.358 175.328 -0.308 0.000 1.115 24 H CA -0.339 55.632 56.048 -0.128 0.000 1.219 24 H CB 1.397 31.104 29.762 -0.091 0.000 1.471 24 H HN 0.507 nan 8.280 nan 0.000 0.491 25 F N 1.433 121.023 119.950 -0.600 0.000 2.618 25 F HA 0.215 4.742 4.527 -0.000 0.000 0.332 25 F C 0.510 176.000 175.800 -0.517 0.000 1.061 25 F CA -0.953 56.801 58.000 -0.409 0.000 0.974 25 F CB 1.157 40.010 39.000 -0.246 0.000 1.310 25 F HN 0.470 nan 8.300 nan 0.000 0.491 26 E N 0.327 120.503 120.200 -0.040 0.000 2.369 26 E HA 0.125 4.475 4.350 -0.000 0.000 0.255 26 E C -0.801 175.778 176.600 -0.035 0.000 1.172 26 E CA -0.448 55.926 56.400 -0.045 0.000 0.932 26 E CB 0.333 30.038 29.700 0.009 0.000 1.040 26 E HN 0.464 nan 8.360 nan 0.000 0.454 27 Q N 0.565 120.356 119.800 -0.016 0.000 2.436 27 Q HA -0.018 4.322 4.340 -0.000 0.000 0.326 27 Q C 0.182 176.171 176.000 -0.017 0.000 1.079 27 Q CA 0.797 56.594 55.803 -0.011 0.000 1.049 27 Q CB -0.335 28.406 28.738 0.005 0.000 1.047 27 Q HN 0.659 nan 8.270 nan 0.000 0.386 28 S N 0.824 116.508 115.700 -0.027 0.000 3.559 28 S HA -0.287 4.183 4.470 -0.000 0.000 0.369 28 S C 0.190 174.765 174.600 -0.042 0.000 0.987 28 S CA 1.405 59.587 58.200 -0.030 0.000 1.187 28 S CB -1.175 62.017 63.200 -0.014 0.000 0.914 28 S HN 0.905 nan 8.310 nan 0.000 0.480 29 E N -0.483 119.677 120.200 -0.066 0.000 3.029 29 E HA 0.370 4.720 4.350 -0.000 0.000 0.196 29 E C -0.286 176.194 176.600 -0.200 0.000 0.973 29 E CA -0.423 55.931 56.400 -0.077 0.000 1.242 29 E CB 0.355 30.047 29.700 -0.013 0.000 1.056 29 E HN 0.750 nan 8.360 nan 0.000 0.469 30 L N 3.107 124.184 121.223 -0.243 0.000 2.349 30 L HA 0.363 4.703 4.340 -0.000 0.000 0.275 30 L C -1.897 174.751 176.870 -0.370 0.000 1.115 30 L CA -1.756 52.816 54.840 -0.447 0.000 0.820 30 L CB 0.377 42.190 42.059 -0.409 0.000 1.135 30 L HN 0.060 nan 8.230 nan 0.000 0.445 31 P HA 0.143 nan 4.420 nan 0.000 0.276 31 P C -0.560 176.721 177.300 -0.032 0.000 1.230 31 P CA -0.467 62.467 63.100 -0.278 0.000 0.776 31 P CB 0.996 32.484 31.700 -0.353 0.000 0.888 32 A N 4.280 127.090 122.820 -0.016 0.000 2.555 32 A HA 0.068 4.388 4.320 -0.000 0.000 0.233 32 A C 0.770 178.351 177.584 -0.006 0.000 1.060 32 A CA -0.239 51.792 52.037 -0.009 0.000 0.759 32 A CB -0.633 18.337 19.000 -0.051 0.000 0.995 32 A HN 0.572 nan 8.150 nan 0.000 0.506 33 I N 1.638 122.158 120.570 -0.083 0.000 2.826 33 I HA -0.079 4.091 4.170 -0.000 0.000 0.295 33 I C 0.751 176.800 176.117 -0.112 0.000 1.213 33 I CA 0.891 62.137 61.300 -0.090 0.000 1.436 33 I CB -0.005 37.898 38.000 -0.161 0.000 1.348 33 I HN 0.765 nan 8.210 nan 0.000 0.570 34 L N 2.167 123.330 121.223 -0.100 0.000 3.558 34 L HA -0.235 4.105 4.340 -0.000 0.000 0.422 34 L C 0.286 177.128 176.870 -0.047 0.000 0.740 34 L CA 0.027 54.775 54.840 -0.153 0.000 2.578 34 L CB -1.564 40.246 42.059 -0.415 0.000 1.116 34 L HN 0.659 nan 8.230 nan 0.000 0.626 35 N N 1.606 120.290 118.700 -0.027 0.000 2.407 35 N HA 0.399 5.139 4.740 -0.000 0.000 0.250 35 N C 0.336 175.862 175.510 0.027 0.000 1.236 35 N CA 1.063 54.113 53.050 -0.000 0.000 0.879 35 N CB 0.693 39.166 38.487 -0.023 0.000 1.088 35 N HN 0.346 nan 8.380 nan 0.000 0.450 36 A N 2.705 125.548 122.820 0.039 0.000 2.331 36 A HA 0.560 4.880 4.320 -0.000 0.000 0.283 36 A C -0.241 177.374 177.584 0.051 0.000 1.142 36 A CA -0.474 51.592 52.037 0.049 0.000 0.812 36 A CB 0.169 19.197 19.000 0.047 0.000 1.074 36 A HN 0.619 nan 8.150 nan 0.000 0.497 37 L N 1.569 122.832 121.223 0.065 0.000 2.333 37 L HA 0.579 4.919 4.340 -0.000 0.000 0.269 37 L C -0.053 176.855 176.870 0.063 0.000 1.010 37 L CA -0.513 54.378 54.840 0.085 0.000 0.818 37 L CB 1.951 44.089 42.059 0.131 0.000 1.306 37 L HN 0.744 nan 8.230 nan 0.000 0.430 38 E N 2.177 122.412 120.200 0.058 0.000 2.222 38 E HA 0.600 4.950 4.350 -0.000 0.000 0.267 38 E C -1.268 175.350 176.600 0.030 0.000 0.884 38 E CA -0.545 55.878 56.400 0.038 0.000 0.764 38 E CB 3.009 32.727 29.700 0.030 0.000 1.169 38 E HN 0.389 nan 8.360 nan 0.000 0.413 39 I N 2.727 123.309 120.570 0.020 0.000 2.433 39 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 39 I C -0.265 175.857 176.117 0.007 0.000 1.001 39 I CA -0.813 60.493 61.300 0.010 0.000 1.119 39 I CB 1.566 39.569 38.000 0.005 0.000 1.289 39 I HN 0.218 nan 8.210 nan 0.000 0.438 40 K N 4.500 124.902 120.400 0.004 0.000 2.379 40 K HA 0.283 4.603 4.320 -0.000 0.000 0.284 40 K C -0.094 176.507 176.600 0.001 0.000 1.044 40 K CA -0.091 56.198 56.287 0.003 0.000 0.974 40 K CB 0.714 33.215 32.500 0.002 0.000 0.962 40 K HN 0.659 nan 8.250 nan 0.000 0.474 41 T N 0.193 114.749 114.554 0.002 0.000 2.932 41 T HA 0.312 4.662 4.350 -0.000 0.000 0.289 41 T C -1.937 172.764 174.700 0.001 0.000 1.039 41 T CA -2.102 59.999 62.100 0.001 0.000 1.024 41 T CB 1.598 70.467 68.868 0.003 0.000 1.090 41 T HN 0.206 nan 8.240 nan 0.000 0.496 42 P HA -0.097 nan 4.420 nan 0.000 0.217 42 P C 1.277 178.578 177.300 0.001 0.000 1.148 42 P CA 1.069 64.169 63.100 0.000 0.000 0.828 42 P CB 0.141 31.841 31.700 -0.000 0.000 0.783 43 Q N -1.192 118.609 119.800 0.002 0.000 1.922 43 Q HA 0.161 4.501 4.340 -0.000 0.000 0.201 43 Q C 1.866 177.867 176.000 0.002 0.000 0.979 43 Q CA 1.863 57.668 55.803 0.002 0.000 0.841 43 Q CB -1.014 27.726 28.738 0.003 0.000 0.903 43 Q HN 0.290 nan 8.270 nan 0.000 0.431 44 G N -0.639 108.163 108.800 0.003 0.000 3.038 44 G HA2 0.340 4.300 3.960 -0.000 0.000 0.168 44 G HA3 0.340 4.300 3.960 -0.000 0.000 0.168 44 G C -1.178 173.724 174.900 0.005 0.000 1.559 44 G CA -0.134 44.968 45.100 0.004 0.000 0.990 44 G HN 0.173 nan 8.290 nan 0.000 0.765 45 K N -0.437 119.967 120.400 0.006 0.000 2.523 45 K HA 0.673 4.993 4.320 -0.000 0.000 0.257 45 K C -1.941 174.665 176.600 0.011 0.000 0.932 45 K CA -0.854 55.438 56.287 0.008 0.000 0.812 45 K CB 2.597 35.102 32.500 0.009 0.000 1.326 45 K HN 0.445 nan 8.250 nan 0.000 0.433 46 L N 2.991 124.221 121.223 0.012 0.000 2.257 46 L HA 0.356 4.696 4.340 -0.000 0.000 0.290 46 L C -1.177 175.705 176.870 0.020 0.000 1.044 46 L CA -0.289 54.560 54.840 0.014 0.000 0.810 46 L CB 1.484 43.551 42.059 0.012 0.000 1.193 46 L HN 0.564 nan 8.230 nan 0.000 0.425 47 V N 6.627 126.555 119.914 0.023 0.000 2.509 47 V HA 0.421 4.541 4.120 -0.000 0.000 0.284 47 V C 0.220 176.335 176.094 0.035 0.000 1.047 47 V CA -0.439 61.879 62.300 0.030 0.000 0.952 47 V CB 1.395 33.235 31.823 0.029 0.000 0.988 47 V HN 0.656 nan 8.190 nan 0.000 0.469 48 L N 3.872 125.121 121.223 0.044 0.000 2.362 48 L HA 0.638 4.977 4.340 -0.000 0.000 0.271 48 L C -0.181 176.723 176.870 0.057 0.000 1.002 48 L CA -0.473 54.396 54.840 0.049 0.000 0.818 48 L CB 2.080 44.172 42.059 0.055 0.000 1.298 48 L HN 0.579 nan 8.230 nan 0.000 0.420 49 E N 1.528 121.762 120.200 0.056 0.000 2.133 49 E HA 0.358 4.707 4.350 -0.000 0.000 0.274 49 E C -1.135 175.495 176.600 0.050 0.000 0.930 49 E CA -0.811 55.624 56.400 0.058 0.000 0.770 49 E CB 1.987 31.731 29.700 0.072 0.000 1.104 49 E HN 0.350 nan 8.360 nan 0.000 0.403 50 V N 4.226 124.168 119.914 0.046 0.000 2.493 50 V HA 0.014 4.133 4.120 -0.000 0.000 0.292 50 V C 0.979 177.092 176.094 0.031 0.000 1.016 50 V CA 0.856 63.188 62.300 0.053 0.000 1.097 50 V CB 0.600 32.458 31.823 0.057 0.000 0.947 50 V HN 0.869 nan 8.190 nan 0.000 0.479 51 A N 4.289 127.135 122.820 0.044 0.000 1.963 51 A HA 0.292 4.611 4.320 -0.000 0.000 0.207 51 A C 0.796 178.395 177.584 0.026 0.000 1.243 51 A CA 0.402 52.452 52.037 0.022 0.000 0.728 51 A CB 0.282 19.297 19.000 0.025 0.000 0.895 51 A HN 0.764 nan 8.150 nan 0.000 0.467 52 Q N -1.376 118.469 119.800 0.074 0.000 2.462 52 Q HA 0.374 4.714 4.340 -0.000 0.000 0.285 52 Q C -1.677 174.462 176.000 0.232 0.000 1.035 52 Q CA -0.566 55.291 55.803 0.091 0.000 0.799 52 Q CB 1.908 30.683 28.738 0.062 0.000 1.452 52 Q HN 0.631 nan 8.270 nan 0.000 0.404 53 H N 2.040 121.108 119.070 -0.003 0.000 2.685 53 H HA 0.239 4.795 4.556 -0.000 0.000 0.286 53 H C 0.516 175.853 175.328 0.014 0.000 1.102 53 H CA -0.243 55.807 56.048 0.004 0.000 1.254 53 H CB 0.845 30.600 29.762 -0.011 0.000 1.397 53 H HN 0.421 nan 8.280 nan 0.000 0.473 54 L N 2.737 124.026 121.223 0.109 0.000 2.478 54 L HA 0.114 4.454 4.340 -0.000 0.000 0.223 54 L C 1.211 178.118 176.870 0.062 0.000 1.140 54 L CA 0.487 55.371 54.840 0.073 0.000 0.842 54 L CB -0.192 41.901 42.059 0.058 0.000 0.953 54 L HN 0.850 nan 8.230 nan 0.000 0.452 55 G N 0.209 109.046 108.800 0.063 0.000 2.663 55 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.686 55 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.686 55 G C -0.018 174.913 174.900 0.052 0.000 1.288 55 G CA -0.465 44.666 45.100 0.051 0.000 0.836 55 G HN 0.311 nan 8.290 nan 0.000 0.584 56 E N 0.172 120.403 120.200 0.052 0.000 2.297 56 E HA -0.253 4.097 4.350 -0.000 0.000 0.228 56 E C 0.779 177.453 176.600 0.124 0.000 1.213 56 E CA 0.688 57.134 56.400 0.076 0.000 0.712 56 E CB -1.019 28.722 29.700 0.067 0.000 1.202 56 E HN 1.019 nan 8.360 nan 0.000 0.376 57 N N -1.052 117.682 118.700 0.055 0.000 2.708 57 N HA -0.164 4.576 4.740 -0.000 0.000 0.249 57 N C -0.753 174.773 175.510 0.027 0.000 1.097 57 N CA 1.916 54.956 53.050 -0.016 0.000 0.710 57 N CB -1.021 37.410 38.487 -0.095 0.000 1.032 57 N HN 0.265 nan 8.380 nan 0.000 0.551 58 T N -0.280 114.320 114.554 0.075 0.000 2.863 58 T HA 0.643 4.993 4.350 -0.000 0.000 0.285 58 T C 0.303 175.027 174.700 0.041 0.000 1.009 58 T CA -0.683 61.483 62.100 0.111 0.000 0.989 58 T CB 2.773 71.724 68.868 0.137 0.000 1.004 58 T HN 0.128 nan 8.240 nan 0.000 0.455 59 V N 1.110 121.069 119.914 0.075 0.000 2.769 59 V HA 0.823 4.942 4.120 -0.000 0.000 0.312 59 V C -0.490 175.659 176.094 0.091 0.000 1.061 59 V CA -1.376 60.961 62.300 0.063 0.000 0.931 59 V CB 1.859 33.709 31.823 0.047 0.000 1.010 59 V HN 0.861 nan 8.190 nan 0.000 0.433 60 R N 2.139 122.691 120.500 0.087 0.000 2.460 60 R HA 0.818 5.158 4.340 -0.000 0.000 0.303 60 R C -0.274 176.067 176.300 0.068 0.000 0.968 60 R CA 0.372 56.513 56.100 0.068 0.000 0.889 60 R CB 1.793 32.126 30.300 0.054 0.000 1.123 60 R HN 1.179 nan 8.270 nan 0.000 0.455 61 T N 1.622 116.211 114.554 0.058 0.000 2.906 61 T HA 0.521 4.871 4.350 -0.000 0.000 0.295 61 T C -0.028 174.695 174.700 0.039 0.000 1.075 61 T CA -1.028 61.105 62.100 0.054 0.000 1.005 61 T CB 1.096 70.004 68.868 0.066 0.000 1.136 61 T HN 0.576 nan 8.240 nan 0.000 0.498 62 I N 0.129 120.721 120.570 0.036 0.000 2.354 62 I HA 0.803 4.973 4.170 -0.000 0.000 0.292 62 I C 0.301 176.435 176.117 0.030 0.000 0.989 62 I CA -1.358 59.958 61.300 0.028 0.000 1.188 62 I CB 1.083 39.096 38.000 0.022 0.000 1.342 62 I HN 0.870 nan 8.210 nan 0.000 0.457 63 A N 6.980 129.814 122.820 0.023 0.000 2.401 63 A HA 0.465 4.785 4.320 -0.000 0.000 0.259 63 A C 0.810 178.407 177.584 0.022 0.000 1.103 63 A CA -0.484 51.567 52.037 0.023 0.000 0.789 63 A CB 0.508 19.518 19.000 0.017 0.000 1.035 63 A HN 0.862 nan 8.150 nan 0.000 0.491 64 M N 1.032 120.647 119.600 0.025 0.000 2.563 64 M HA 0.179 4.659 4.480 -0.000 0.000 0.231 64 M C -0.086 176.225 176.300 0.019 0.000 1.136 64 M CA 0.636 55.950 55.300 0.024 0.000 1.026 64 M CB -1.161 31.456 32.600 0.028 0.000 1.597 64 M HN 0.811 nan 8.290 nan 0.000 0.495 65 D N -1.517 118.892 120.400 0.016 0.000 2.779 65 D HA 0.409 5.049 4.640 -0.000 0.000 0.331 65 D C -0.556 175.750 176.300 0.010 0.000 1.331 65 D CA -0.195 53.813 54.000 0.013 0.000 0.866 65 D CB 0.882 41.690 40.800 0.013 0.000 1.409 65 D HN 0.115 nan 8.370 nan 0.000 0.486 66 G N -1.065 107.739 108.800 0.007 0.000 2.554 66 G HA2 0.383 4.343 3.960 -0.000 0.000 0.238 66 G HA3 0.383 4.343 3.960 -0.000 0.000 0.238 66 G C 0.741 175.644 174.900 0.005 0.000 1.259 66 G CA 0.708 45.811 45.100 0.005 0.000 0.843 66 G HN 0.430 nan 8.290 nan 0.000 0.582 67 T N -2.005 112.552 114.554 0.004 0.000 3.043 67 T HA 0.172 4.522 4.350 -0.000 0.000 0.272 67 T C 0.615 175.316 174.700 0.001 0.000 0.990 67 T CA -0.040 62.062 62.100 0.003 0.000 0.897 67 T CB 0.087 68.958 68.868 0.004 0.000 1.111 67 T HN 0.645 nan 8.240 nan 0.000 0.529 68 E N 1.893 122.093 120.200 0.000 0.000 2.465 68 E HA 0.316 4.666 4.350 -0.000 0.000 0.260 68 E C 1.161 177.761 176.600 -0.001 0.000 0.980 68 E CA 0.900 57.299 56.400 -0.001 0.000 0.927 68 E CB 0.170 29.870 29.700 -0.001 0.000 0.934 68 E HN 0.531 nan 8.360 nan 0.000 0.459 69 G N 3.041 111.840 108.800 -0.002 0.000 2.284 69 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 69 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 69 G C 0.361 175.258 174.900 -0.004 0.000 1.009 69 G CA -0.052 45.046 45.100 -0.003 0.000 0.625 69 G HN 0.503 nan 8.290 nan 0.000 0.501 70 L N 1.766 122.987 121.223 -0.004 0.000 2.578 70 L HA 0.319 4.659 4.340 -0.000 0.000 0.279 70 L C 0.627 177.492 176.870 -0.009 0.000 1.227 70 L CA 0.152 54.988 54.840 -0.006 0.000 0.900 70 L CB 0.846 42.903 42.059 -0.005 0.000 1.144 70 L HN 0.092 nan 8.230 nan 0.000 0.496 71 V N 4.818 124.726 119.914 -0.011 0.000 2.483 71 V HA 0.313 4.433 4.120 -0.000 0.000 0.295 71 V C 0.395 176.478 176.094 -0.018 0.000 1.035 71 V CA -0.918 61.374 62.300 -0.014 0.000 0.896 71 V CB 1.644 33.459 31.823 -0.014 0.000 0.986 71 V HN 0.666 nan 8.190 nan 0.000 0.447 72 R N 2.851 123.339 120.500 -0.020 0.000 2.473 72 R HA 0.356 4.696 4.340 -0.000 0.000 0.315 72 R C 1.221 177.503 176.300 -0.030 0.000 0.972 72 R CA 1.085 57.170 56.100 -0.025 0.000 1.047 72 R CB -0.129 30.156 30.300 -0.025 0.000 0.932 72 R HN 1.198 nan 8.270 nan 0.000 0.411 73 G N 2.159 110.937 108.800 -0.036 0.000 2.192 73 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.193 73 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.193 73 G C 0.031 174.907 174.900 -0.041 0.000 0.999 73 G CA -0.449 44.627 45.100 -0.040 0.000 0.659 73 G HN 0.587 nan 8.290 nan 0.000 0.503 74 E N 0.917 121.094 120.200 -0.038 0.000 2.373 74 E HA 0.335 4.685 4.350 -0.000 0.000 0.267 74 E C 0.667 177.237 176.600 -0.049 0.000 1.032 74 E CA -0.414 55.965 56.400 -0.035 0.000 0.889 74 E CB 0.422 30.107 29.700 -0.026 0.000 0.984 74 E HN 0.287 nan 8.360 nan 0.000 0.425 75 K N 2.688 123.062 120.400 -0.043 0.000 2.447 75 K HA 0.072 4.392 4.320 -0.000 0.000 0.281 75 K C -1.236 175.333 176.600 -0.051 0.000 1.031 75 K CA -0.139 56.117 56.287 -0.052 0.000 1.019 75 K CB 0.442 32.923 32.500 -0.032 0.000 0.918 75 K HN 0.190 nan 8.250 nan 0.000 0.476 76 V N 6.340 126.205 119.914 -0.082 0.000 2.444 76 V HA 0.240 4.360 4.120 -0.000 0.000 0.294 76 V C -0.501 175.596 176.094 0.005 0.000 1.022 76 V CA -1.054 61.216 62.300 -0.049 0.000 0.850 76 V CB 1.210 32.981 31.823 -0.087 0.000 0.992 76 V HN 0.675 nan 8.190 nan 0.000 0.426 77 L N 3.840 125.093 121.223 0.050 0.000 2.350 77 L HA 0.595 4.935 4.340 -0.000 0.000 0.275 77 L C -0.138 176.813 176.870 0.135 0.000 1.099 77 L CA 0.299 55.191 54.840 0.086 0.000 0.808 77 L CB 1.337 43.426 42.059 0.050 0.000 1.149 77 L HN 0.766 nan 8.230 nan 0.000 0.442 78 D N 1.478 121.973 120.400 0.157 0.000 2.317 78 D HA 0.159 4.799 4.640 -0.000 0.000 0.234 78 D C 1.019 177.350 176.300 0.051 0.000 1.112 78 D CA 0.171 54.235 54.000 0.107 0.000 0.840 78 D CB 1.423 42.259 40.800 0.061 0.000 1.078 78 D HN 0.698 nan 8.370 nan 0.000 0.486 79 T N 1.134 115.710 114.554 0.038 0.000 3.051 79 T HA 0.146 4.496 4.350 -0.000 0.000 0.269 79 T C 1.605 176.311 174.700 0.011 0.000 1.127 79 T CA 0.772 62.886 62.100 0.023 0.000 1.107 79 T CB -0.286 68.596 68.868 0.023 0.000 0.898 79 T HN 0.751 nan 8.240 nan 0.000 0.517 80 G N -0.127 108.673 108.800 0.001 0.000 2.217 80 G HA2 0.046 4.006 3.960 -0.000 0.000 0.246 80 G HA3 0.046 4.006 3.960 -0.000 0.000 0.246 80 G C 0.411 175.305 174.900 -0.010 0.000 0.990 80 G CA -0.239 44.855 45.100 -0.011 0.000 0.627 80 G HN 1.291 nan 8.290 nan 0.000 0.522 81 G N -0.925 107.876 108.800 0.000 0.000 2.788 81 G HA2 0.759 4.719 3.960 -0.000 0.000 0.293 81 G HA3 0.759 4.719 3.960 -0.000 0.000 0.293 81 G C -3.157 171.757 174.900 0.023 0.000 1.392 81 G CA -0.469 44.635 45.100 0.007 0.000 0.810 81 G HN 0.178 nan 8.290 nan 0.000 0.508 82 P HA 0.207 nan 4.420 nan 0.000 0.270 82 P C 0.263 177.608 177.300 0.075 0.000 1.227 82 P CA -0.298 62.858 63.100 0.093 0.000 0.788 82 P CB 0.525 32.320 31.700 0.158 0.000 0.926 83 I N 0.371 120.995 120.570 0.091 0.000 2.906 83 I HA -0.080 4.090 4.170 -0.000 0.000 0.302 83 I C 0.959 177.088 176.117 0.021 0.000 1.220 83 I CA 1.126 62.455 61.300 0.048 0.000 1.441 83 I CB -0.176 37.851 38.000 0.044 0.000 1.336 83 I HN 0.369 nan 8.210 nan 0.000 0.565 84 S N 6.378 122.079 115.700 0.002 0.000 2.566 84 S HA 0.840 5.310 4.470 -0.000 0.000 0.298 84 S C -0.586 173.993 174.600 -0.035 0.000 1.083 84 S CA -0.787 57.402 58.200 -0.018 0.000 0.978 84 S CB 2.138 65.328 63.200 -0.018 0.000 1.073 84 S HN 0.535 nan 8.310 nan 0.000 0.491 85 V N -1.589 118.291 119.914 -0.056 0.000 2.735 85 V HA 0.771 4.891 4.120 -0.000 0.000 0.310 85 V C -2.970 173.060 176.094 -0.108 0.000 1.061 85 V CA -2.862 59.395 62.300 -0.072 0.000 0.913 85 V CB 1.411 33.191 31.823 -0.071 0.000 1.005 85 V HN 0.819 nan 8.190 nan 0.000 0.428 86 P HA 0.208 nan 4.420 nan 0.000 0.266 86 P C -0.323 176.844 177.300 -0.222 0.000 1.195 86 P CA 0.364 63.372 63.100 -0.153 0.000 0.768 86 P CB 1.101 32.732 31.700 -0.115 0.000 0.838 87 V N -0.765 118.933 119.914 -0.360 0.000 3.001 87 V HA 0.992 5.112 4.120 -0.000 0.000 0.314 87 V C 0.160 175.848 176.094 -0.676 0.000 1.099 87 V CA -0.097 61.866 62.300 -0.563 0.000 0.989 87 V CB 1.273 32.604 31.823 -0.819 0.000 1.040 87 V HN 1.021 nan 8.190 nan 0.000 0.434 88 G N 2.380 110.776 108.800 -0.674 0.000 2.422 88 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.607 88 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.607 88 G C -0.006 174.875 174.900 -0.032 0.000 1.270 88 G CA -0.003 44.870 45.100 -0.379 0.000 0.992 88 G HN 0.904 nan 8.290 nan 0.000 0.499 89 R N 0.141 120.738 120.500 0.162 0.000 2.189 89 R HA 0.000 4.340 4.340 -0.000 0.000 0.223 89 R C 1.996 178.314 176.300 0.029 0.000 1.092 89 R CA 1.374 57.578 56.100 0.173 0.000 0.989 89 R CB -0.083 30.318 30.300 0.168 0.000 0.876 89 R HN 0.517 nan 8.270 nan 0.000 0.457 90 E N -0.177 120.022 120.200 -0.002 0.000 2.409 90 E HA -0.099 4.251 4.350 -0.000 0.000 0.198 90 E C 1.648 178.227 176.600 -0.036 0.000 1.024 90 E CA 1.415 57.799 56.400 -0.028 0.000 0.861 90 E CB 0.153 29.828 29.700 -0.042 0.000 0.788 90 E HN 0.466 nan 8.360 nan 0.000 0.521 91 T N -1.786 112.751 114.554 -0.028 0.000 3.054 91 T HA 0.091 4.441 4.350 -0.000 0.000 0.259 91 T C 1.251 175.939 174.700 -0.020 0.000 1.092 91 T CA -0.149 61.936 62.100 -0.025 0.000 1.121 91 T CB -0.103 68.753 68.868 -0.020 0.000 0.912 91 T HN -0.051 nan 8.240 nan 0.000 0.489 92 L N 2.025 123.221 121.223 -0.045 0.000 2.540 92 L HA 0.393 4.733 4.340 -0.000 0.000 0.276 92 L C 1.726 178.564 176.870 -0.054 0.000 1.212 92 L CA 0.949 55.726 54.840 -0.104 0.000 0.893 92 L CB -0.083 41.809 42.059 -0.277 0.000 1.138 92 L HN 0.574 nan 8.230 nan 0.000 0.491 93 G N 1.882 110.668 108.800 -0.022 0.000 2.179 93 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.260 93 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.260 93 G C 0.340 175.281 174.900 0.067 0.000 0.977 93 G CA -0.298 44.824 45.100 0.037 0.000 0.641 93 G HN 0.491 nan 8.290 nan 0.000 0.533 94 R N -0.149 120.354 120.500 0.005 0.000 2.598 94 R HA 0.707 5.047 4.340 -0.000 0.000 0.279 94 R C 0.349 176.592 176.300 -0.095 0.000 0.984 94 R CA -0.924 55.158 56.100 -0.030 0.000 0.999 94 R CB 0.910 31.189 30.300 -0.035 0.000 1.114 94 R HN 0.301 nan 8.270 nan 0.000 0.493 95 I N 3.105 123.584 120.570 -0.152 0.000 2.336 95 I HA 0.416 4.586 4.170 -0.000 0.000 0.292 95 I C 0.160 176.218 176.117 -0.099 0.000 0.991 95 I CA -0.420 60.773 61.300 -0.178 0.000 1.227 95 I CB 0.950 38.820 38.000 -0.217 0.000 1.366 95 I HN 0.266 nan 8.210 nan 0.000 0.466 96 I N 5.528 126.041 120.570 -0.094 0.000 2.689 96 I HA 0.371 4.541 4.170 -0.000 0.000 0.299 96 I C -0.359 175.749 176.117 -0.014 0.000 1.059 96 I CA -0.768 60.501 61.300 -0.052 0.000 1.055 96 I CB 2.042 40.005 38.000 -0.061 0.000 1.243 96 I HN 0.631 nan 8.210 nan 0.000 0.425 97 N N 3.349 122.054 118.700 0.007 0.000 2.643 97 N HA 0.205 4.945 4.740 -0.000 0.000 0.305 97 N C 0.527 176.048 175.510 0.019 0.000 1.283 97 N CA -0.792 52.280 53.050 0.036 0.000 0.946 97 N CB 0.334 38.846 38.487 0.040 0.000 1.149 97 N HN 0.361 nan 8.380 nan 0.000 0.600 98 V N -0.280 119.651 119.914 0.029 0.000 2.407 98 V HA -0.109 4.011 4.120 -0.000 0.000 0.248 98 V C 1.621 177.718 176.094 0.005 0.000 1.055 98 V CA 1.819 64.130 62.300 0.018 0.000 1.049 98 V CB -0.854 30.986 31.823 0.028 0.000 0.662 98 V HN 0.649 nan 8.190 nan 0.000 0.455 99 I N -1.893 118.682 120.570 0.008 0.000 3.749 99 I HA 0.473 4.642 4.170 -0.000 0.000 0.314 99 I C 1.449 177.561 176.117 -0.008 0.000 1.267 99 I CA 0.707 62.009 61.300 0.003 0.000 1.169 99 I CB -0.517 37.489 38.000 0.010 0.000 1.009 99 I HN 0.355 nan 8.210 nan 0.000 0.444 100 G N 1.055 109.846 108.800 -0.015 0.000 2.176 100 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.253 100 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.253 100 G C -0.030 174.854 174.900 -0.026 0.000 0.979 100 G CA 0.050 45.133 45.100 -0.028 0.000 0.641 100 G HN 0.627 nan 8.290 nan 0.000 0.530 101 E N 2.031 122.222 120.200 -0.015 0.000 2.354 101 E HA 0.351 4.701 4.350 -0.000 0.000 0.269 101 E C -2.050 174.540 176.600 -0.017 0.000 1.036 101 E CA -1.524 54.867 56.400 -0.014 0.000 0.876 101 E CB 1.070 30.766 29.700 -0.005 0.000 1.009 101 E HN 0.225 nan 8.360 nan 0.000 0.416 102 P HA 0.015 nan 4.420 nan 0.000 0.271 102 P C -0.016 177.273 177.300 -0.020 0.000 1.216 102 P CA 0.394 63.478 63.100 -0.026 0.000 0.771 102 P CB 0.335 32.020 31.700 -0.025 0.000 0.864 103 I N -0.626 119.928 120.570 -0.026 0.000 3.569 103 I HA 0.301 4.471 4.170 -0.000 0.000 0.334 103 I C 0.039 176.131 176.117 -0.043 0.000 1.570 103 I CA -0.298 60.992 61.300 -0.017 0.000 1.082 103 I CB 0.035 38.041 38.000 0.009 0.000 1.323 103 I HN 0.058 nan 8.210 nan 0.000 0.489 104 D N 0.176 120.542 120.400 -0.057 0.000 2.503 104 D HA 0.035 4.675 4.640 -0.000 0.000 0.218 104 D C 0.429 176.721 176.300 -0.014 0.000 1.183 104 D CA -0.218 53.734 54.000 -0.078 0.000 0.827 104 D CB -0.078 40.630 40.800 -0.152 0.000 1.034 104 D HN 0.435 nan 8.370 nan 0.000 0.510 105 E N 0.217 120.412 120.200 -0.007 0.000 2.539 105 E HA -0.256 4.094 4.350 -0.000 0.000 0.253 105 E C 0.119 176.727 176.600 0.012 0.000 1.145 105 E CA 0.387 56.790 56.400 0.006 0.000 0.738 105 E CB -0.992 28.716 29.700 0.013 0.000 1.308 105 E HN 0.440 nan 8.360 nan 0.000 0.409 106 R N 0.014 120.519 120.500 0.010 0.000 2.552 106 R HA 0.304 4.644 4.340 -0.000 0.000 0.314 106 R C 0.861 177.164 176.300 0.007 0.000 1.041 106 R CA 0.300 56.410 56.100 0.016 0.000 1.076 106 R CB 1.015 31.332 30.300 0.028 0.000 1.290 106 R HN 0.290 nan 8.270 nan 0.000 0.563 107 G N 2.425 111.226 108.800 0.002 0.000 2.685 107 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.387 107 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.387 107 G C -2.736 172.160 174.900 -0.008 0.000 1.324 107 G CA -1.154 43.945 45.100 -0.002 0.000 0.878 107 G HN 0.089 nan 8.290 nan 0.000 0.527 108 P HA 0.507 nan 4.420 nan 0.000 0.279 108 P C -0.071 177.217 177.300 -0.019 0.000 1.239 108 P CA -0.380 62.711 63.100 -0.015 0.000 0.789 108 P CB 0.699 32.391 31.700 -0.014 0.000 0.933 109 I N 3.090 123.643 120.570 -0.027 0.000 2.471 109 I HA 0.025 4.195 4.170 -0.000 0.000 0.294 109 I C 1.396 177.491 176.117 -0.038 0.000 1.123 109 I CA 0.499 61.778 61.300 -0.035 0.000 1.336 109 I CB -0.499 37.473 38.000 -0.047 0.000 1.430 109 I HN 0.058 nan 8.210 nan 0.000 0.533 110 K N 4.402 124.784 120.400 -0.031 0.000 3.000 110 K HA 0.101 4.421 4.320 -0.000 0.000 0.265 110 K C 0.548 177.124 176.600 -0.039 0.000 1.260 110 K CA -0.103 56.167 56.287 -0.029 0.000 1.209 110 K CB -0.023 32.466 32.500 -0.018 0.000 1.484 110 K HN 0.577 nan 8.250 nan 0.000 0.283 111 S N 0.709 116.374 115.700 -0.058 0.000 2.593 111 S HA 0.062 4.532 4.470 -0.000 0.000 0.269 111 S C 1.247 175.800 174.600 -0.078 0.000 1.334 111 S CA -0.264 57.885 58.200 -0.086 0.000 1.015 111 S CB 1.151 64.276 63.200 -0.125 0.000 0.912 111 S HN 0.465 nan 8.310 nan 0.000 0.541 112 K N 1.648 121.994 120.400 -0.091 0.000 2.098 112 K HA 0.238 4.558 4.320 -0.000 0.000 0.203 112 K C -0.049 176.503 176.600 -0.080 0.000 1.051 112 K CA 0.720 56.969 56.287 -0.063 0.000 0.957 112 K CB 0.049 32.529 32.500 -0.034 0.000 0.738 112 K HN 0.582 nan 8.250 nan 0.000 0.447 113 L N 0.552 121.688 121.223 -0.145 0.000 2.333 113 L HA 0.473 4.813 4.340 -0.000 0.000 0.263 113 L C -0.653 176.113 176.870 -0.174 0.000 1.014 113 L CA -1.128 53.628 54.840 -0.140 0.000 0.820 113 L CB 2.189 44.165 42.059 -0.139 0.000 1.352 113 L HN -0.085 nan 8.230 nan 0.000 0.421 114 R N 1.208 121.636 120.500 -0.120 0.000 2.637 114 R HA 0.586 4.926 4.340 -0.000 0.000 0.291 114 R C -1.148 175.100 176.300 -0.088 0.000 0.963 114 R CA -1.003 55.029 56.100 -0.114 0.000 0.901 114 R CB 2.225 32.481 30.300 -0.073 0.000 1.160 114 R HN 0.351 nan 8.270 nan 0.000 0.457 115 K N 2.427 122.774 120.400 -0.088 0.000 2.328 115 K HA 0.445 4.765 4.320 -0.000 0.000 0.246 115 K C -2.576 174.006 176.600 -0.029 0.000 0.955 115 K CA -2.152 54.109 56.287 -0.044 0.000 0.817 115 K CB 2.172 34.654 32.500 -0.031 0.000 1.208 115 K HN 0.368 nan 8.250 nan 0.000 0.432 116 P HA 0.100 nan 4.420 nan 0.000 0.271 116 P C 0.907 178.200 177.300 -0.011 0.000 1.216 116 P CA -0.106 63.001 63.100 0.011 0.000 0.776 116 P CB 0.331 32.055 31.700 0.040 0.000 0.881 117 I N -0.395 120.149 120.570 -0.043 0.000 2.830 117 I HA 0.013 4.183 4.170 -0.000 0.000 0.263 117 I C 0.496 176.474 176.117 -0.232 0.000 1.230 117 I CA 0.688 61.902 61.300 -0.143 0.000 1.480 117 I CB -0.643 37.243 38.000 -0.190 0.000 1.095 117 I HN 0.234 nan 8.210 nan 0.000 0.455 118 H N 2.716 121.788 119.070 0.003 0.000 2.594 118 H HA 0.766 5.322 4.556 -0.000 0.000 0.304 118 H C -0.479 174.849 175.328 0.001 0.000 1.068 118 H CA -0.171 55.880 56.048 0.005 0.000 1.308 118 H CB 1.421 31.186 29.762 0.005 0.000 1.409 118 H HN 0.425 nan 8.280 nan 0.000 0.460 119 A N 3.639 126.514 122.820 0.093 0.000 2.572 119 A HA 0.300 4.620 4.320 -0.000 0.000 0.295 119 A C -0.800 176.811 177.584 0.045 0.000 1.072 119 A CA -0.986 51.085 52.037 0.056 0.000 0.691 119 A CB 1.515 20.532 19.000 0.028 0.000 1.291 119 A HN 0.529 nan 8.150 nan 0.000 0.404 120 D N 1.928 122.348 120.400 0.035 0.000 2.382 120 D HA 0.424 5.064 4.640 -0.000 0.000 0.245 120 D C -2.181 174.131 176.300 0.021 0.000 1.120 120 D CA -0.355 53.662 54.000 0.029 0.000 0.890 120 D CB 0.453 41.268 40.800 0.024 0.000 1.201 120 D HN 0.216 nan 8.370 nan 0.000 0.433 121 P HA 0.156 nan 4.420 nan 0.000 0.269 121 P C -2.428 174.881 177.300 0.015 0.000 1.215 121 P CA -0.832 62.276 63.100 0.014 0.000 0.780 121 P CB -0.292 31.421 31.700 0.022 0.000 0.898 122 P HA -0.038 nan 4.420 nan 0.000 0.264 122 P C 0.251 177.562 177.300 0.018 0.000 1.179 122 P CA 0.335 63.436 63.100 0.002 0.000 0.763 122 P CB 0.234 31.925 31.700 -0.016 0.000 0.806 123 S N 2.434 118.149 115.700 0.025 0.000 2.572 123 S HA -0.021 4.449 4.470 -0.000 0.000 0.267 123 S C 1.026 175.674 174.600 0.079 0.000 1.361 123 S CA -0.406 57.831 58.200 0.061 0.000 1.009 123 S CB -0.218 63.016 63.200 0.056 0.000 0.888 123 S HN 0.426 nan 8.310 nan 0.000 0.553 124 F N 3.289 123.237 119.950 -0.003 0.000 2.126 124 F HA -0.036 4.491 4.527 -0.000 0.000 0.299 124 F C 2.226 178.022 175.800 -0.006 0.000 1.096 124 F CA 2.004 60.001 58.000 -0.004 0.000 1.255 124 F CB -0.879 38.120 39.000 -0.003 0.000 0.997 124 F HN 0.676 nan 8.300 nan 0.000 0.479 125 A N -0.414 122.468 122.820 0.104 0.000 2.121 125 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 125 A C 1.955 179.486 177.584 -0.089 0.000 1.154 125 A CA 1.609 53.644 52.037 -0.004 0.000 0.679 125 A CB -0.770 18.285 19.000 0.091 0.000 0.795 125 A HN 0.604 nan 8.150 nan 0.000 0.458 126 E N -0.202 119.952 120.200 -0.077 0.000 2.478 126 E HA 0.002 4.352 4.350 -0.000 0.000 0.194 126 E C 0.057 176.589 176.600 -0.113 0.000 1.045 126 E CA -0.144 56.211 56.400 -0.074 0.000 0.868 126 E CB 0.150 29.827 29.700 -0.039 0.000 0.885 126 E HN 0.561 nan 8.360 nan 0.000 0.505 127 Q N 0.783 120.471 119.800 -0.187 0.000 2.314 127 Q HA 0.106 4.445 4.340 -0.000 0.000 0.258 127 Q C -0.091 175.800 176.000 -0.182 0.000 0.954 127 Q CA -0.023 55.665 55.803 -0.193 0.000 0.890 127 Q CB 1.609 30.186 28.738 -0.268 0.000 1.210 127 Q HN -0.014 nan 8.270 nan 0.000 0.410 128 S N 0.909 116.532 115.700 -0.129 0.000 2.549 128 S HA 0.023 4.493 4.470 -0.000 0.000 0.286 128 S C 1.117 175.646 174.600 -0.118 0.000 1.314 128 S CA 0.160 58.296 58.200 -0.107 0.000 1.062 128 S CB 0.359 63.510 63.200 -0.082 0.000 0.865 128 S HN 0.673 nan 8.310 nan 0.000 0.498 129 T N 1.370 115.862 114.554 -0.104 0.000 3.107 129 T HA 0.276 4.626 4.350 -0.000 0.000 0.249 129 T C 0.274 174.935 174.700 -0.064 0.000 1.096 129 T CA -0.249 61.794 62.100 -0.095 0.000 1.012 129 T CB -0.003 68.815 68.868 -0.084 0.000 0.977 129 T HN 0.326 nan 8.240 nan 0.000 0.527 130 S N 1.219 116.884 115.700 -0.058 0.000 2.561 130 S HA 0.742 5.212 4.470 -0.000 0.000 0.303 130 S C -0.115 174.458 174.600 -0.045 0.000 1.110 130 S CA -0.957 57.215 58.200 -0.046 0.000 1.034 130 S CB 1.549 64.725 63.200 -0.040 0.000 1.010 130 S HN 0.665 nan 8.310 nan 0.000 0.482 131 A N 3.203 125.999 122.820 -0.039 0.000 2.477 131 A HA 0.505 4.825 4.320 -0.000 0.000 0.246 131 A C 0.352 177.914 177.584 -0.036 0.000 1.078 131 A CA -0.080 51.935 52.037 -0.036 0.000 0.770 131 A CB -0.006 18.976 19.000 -0.030 0.000 1.011 131 A HN 0.839 nan 8.150 nan 0.000 0.494 132 E N 1.924 122.102 120.200 -0.036 0.000 2.383 132 E HA 0.555 4.905 4.350 -0.000 0.000 0.275 132 E C -1.292 175.291 176.600 -0.029 0.000 0.918 132 E CA -1.029 55.350 56.400 -0.035 0.000 0.764 132 E CB 0.929 30.605 29.700 -0.040 0.000 1.252 132 E HN 0.324 nan 8.360 nan 0.000 0.449 133 I N 1.927 122.485 120.570 -0.022 0.000 2.474 133 I HA 0.149 4.319 4.170 -0.000 0.000 0.287 133 I C 0.054 176.165 176.117 -0.010 0.000 1.048 133 I CA -0.651 60.648 61.300 -0.001 0.000 1.383 133 I CB 0.491 38.493 38.000 0.003 0.000 1.412 133 I HN 0.579 nan 8.210 nan 0.000 0.531 134 L N 6.309 127.541 121.223 0.015 0.000 2.259 134 L HA 0.266 4.606 4.340 -0.000 0.000 0.288 134 L C 0.548 177.456 176.870 0.065 0.000 1.051 134 L CA -0.066 54.766 54.840 -0.013 0.000 0.824 134 L CB 0.375 42.435 42.059 0.002 0.000 1.206 134 L HN 0.592 nan 8.230 nan 0.000 0.429 135 E N 2.283 122.568 120.200 0.142 0.000 2.292 135 E HA -0.015 4.335 4.350 -0.000 0.000 0.265 135 E C 0.644 177.329 176.600 0.141 0.000 1.093 135 E CA 0.483 56.982 56.400 0.164 0.000 0.922 135 E CB 0.759 30.576 29.700 0.196 0.000 1.001 135 E HN 0.802 nan 8.360 nan 0.000 0.444 136 T N 1.256 115.790 114.554 -0.033 0.000 3.051 136 T HA 0.189 4.539 4.350 -0.000 0.000 0.255 136 T C 1.453 176.069 174.700 -0.142 0.000 1.085 136 T CA 0.507 62.531 62.100 -0.127 0.000 1.109 136 T CB 0.152 68.832 68.868 -0.313 0.000 0.921 136 T HN 0.700 nan 8.240 nan 0.000 0.488 137 G N 1.418 110.156 108.800 -0.104 0.000 2.179 137 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.260 137 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.260 137 G C -0.000 174.864 174.900 -0.060 0.000 0.977 137 G CA 0.152 45.199 45.100 -0.089 0.000 0.641 137 G HN 0.663 nan 8.290 nan 0.000 0.533 138 I N 0.807 121.333 120.570 -0.073 0.000 2.330 138 I HA 0.268 4.438 4.170 -0.000 0.000 0.289 138 I C 1.561 177.679 176.117 0.003 0.000 1.001 138 I CA -0.820 60.490 61.300 0.016 0.000 1.193 138 I CB 1.377 39.387 38.000 0.018 0.000 1.345 138 I HN -0.030 nan 8.210 nan 0.000 0.461 139 K N 3.499 123.904 120.400 0.007 0.000 2.020 139 K HA -0.172 4.148 4.320 -0.000 0.000 0.212 139 K C 1.762 178.293 176.600 -0.116 0.000 1.050 139 K CA 1.505 57.748 56.287 -0.073 0.000 0.929 139 K CB -0.120 32.328 32.500 -0.087 0.000 0.714 139 K HN 0.534 nan 8.250 nan 0.000 0.443 140 V N 0.864 120.752 119.914 -0.044 0.000 2.295 140 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 140 V C 2.349 178.428 176.094 -0.024 0.000 1.049 140 V CA 1.604 63.873 62.300 -0.050 0.000 1.024 140 V CB -0.629 31.212 31.823 0.030 0.000 0.648 140 V HN 0.073 nan 8.190 nan 0.000 0.447 141 V N 0.492 120.420 119.914 0.024 0.000 2.261 141 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 141 V C 2.377 178.460 176.094 -0.018 0.000 1.047 141 V CA 2.327 64.633 62.300 0.009 0.000 1.015 141 V CB -0.785 30.976 31.823 -0.104 0.000 0.642 141 V HN 0.506 nan 8.190 nan 0.000 0.446 142 D N -0.314 120.059 120.400 -0.046 0.000 2.182 142 D HA -0.143 4.497 4.640 -0.000 0.000 0.201 142 D C 1.845 178.191 176.300 0.077 0.000 0.986 142 D CA 1.178 55.182 54.000 0.006 0.000 0.847 142 D CB -0.123 40.669 40.800 -0.014 0.000 0.942 142 D HN 0.350 nan 8.370 nan 0.000 0.467 143 L N -0.387 120.811 121.223 -0.042 0.000 2.130 143 L HA 0.088 4.428 4.340 -0.000 0.000 0.200 143 L C 1.935 178.825 176.870 0.034 0.000 1.075 143 L CA 1.264 56.048 54.840 -0.093 0.000 0.768 143 L CB -0.173 41.652 42.059 -0.390 0.000 0.933 143 L HN -0.046 nan 8.230 nan 0.000 0.451 144 L N -1.005 120.198 121.223 -0.033 0.000 2.357 144 L HA 0.330 4.670 4.340 -0.000 0.000 0.211 144 L C 0.852 177.744 176.870 0.036 0.000 1.075 144 L CA 0.551 55.381 54.840 -0.018 0.000 0.830 144 L CB -0.124 41.898 42.059 -0.062 0.000 0.996 144 L HN 0.241 nan 8.230 nan 0.000 0.467 145 A N 0.520 123.382 122.820 0.069 0.000 3.365 145 A HA 0.420 4.740 4.320 -0.000 0.000 0.258 145 A C -2.566 175.129 177.584 0.184 0.000 0.964 145 A CA -0.965 51.142 52.037 0.117 0.000 0.988 145 A CB -0.315 18.764 19.000 0.132 0.000 1.193 145 A HN -0.132 nan 8.150 nan 0.000 0.508 146 P HA 0.002 nan 4.420 nan 0.000 0.265 146 P C -0.811 176.657 177.300 0.279 0.000 1.193 146 P CA 0.537 63.726 63.100 0.148 0.000 0.765 146 P CB 0.384 32.119 31.700 0.059 0.000 0.823 147 Y N 1.067 121.384 120.300 0.029 0.000 2.425 147 Y HA 0.265 4.814 4.550 -0.000 0.000 0.331 147 Y C 1.282 177.173 175.900 -0.015 0.000 1.157 147 Y CA -1.161 56.945 58.100 0.011 0.000 1.372 147 Y CB -0.202 38.266 38.460 0.013 0.000 1.253 147 Y HN 0.395 nan 8.280 nan 0.000 0.536 148 A N 5.218 128.089 122.820 0.085 0.000 2.409 148 A HA 0.341 4.660 4.320 -0.000 0.000 0.262 148 A C 0.554 178.138 177.584 0.000 0.000 1.113 148 A CA -0.713 51.336 52.037 0.019 0.000 0.790 148 A CB 0.019 19.009 19.000 -0.017 0.000 1.046 148 A HN 0.838 nan 8.150 nan 0.000 0.496 149 R N 2.134 122.623 120.500 -0.019 0.000 2.489 149 R HA 0.358 4.698 4.340 -0.000 0.000 0.287 149 R C 1.094 177.359 176.300 -0.058 0.000 1.053 149 R CA 1.179 57.249 56.100 -0.050 0.000 1.036 149 R CB 0.029 30.284 30.300 -0.075 0.000 0.966 149 R HN 1.712 nan 8.270 nan 0.000 0.432 150 G N 2.449 111.209 108.800 -0.067 0.000 2.225 150 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.267 150 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.267 150 G C 0.098 174.957 174.900 -0.069 0.000 1.024 150 G CA 0.261 45.320 45.100 -0.068 0.000 0.784 150 G HN 0.962 nan 8.290 nan 0.000 0.507 151 G N -1.340 107.412 108.800 -0.080 0.000 3.013 151 G HA2 0.751 4.711 3.960 -0.000 0.000 0.278 151 G HA3 0.751 4.711 3.960 -0.000 0.000 0.278 151 G C -0.822 173.999 174.900 -0.132 0.000 1.353 151 G CA -0.924 44.124 45.100 -0.086 0.000 1.043 151 G HN 0.334 nan 8.290 nan 0.000 0.523 152 K N -0.583 119.735 120.400 -0.137 0.000 2.270 152 K HA 0.645 4.965 4.320 -0.000 0.000 0.255 152 K C -1.100 175.359 176.600 -0.235 0.000 0.936 152 K CA -0.283 55.894 56.287 -0.183 0.000 0.809 152 K CB 2.199 34.614 32.500 -0.141 0.000 1.131 152 K HN 0.235 nan 8.250 nan 0.000 0.427 153 I N 1.323 121.704 120.570 -0.316 0.000 2.406 153 I HA 0.345 4.515 4.170 -0.000 0.000 0.290 153 I C 0.376 176.339 176.117 -0.258 0.000 0.999 153 I CA -0.413 60.669 61.300 -0.363 0.000 1.124 153 I CB 2.156 39.717 38.000 -0.731 0.000 1.289 153 I HN 0.659 nan 8.210 nan 0.000 0.441 154 G N 6.330 115.011 108.800 -0.198 0.000 2.391 154 G HA2 0.464 4.424 3.960 -0.000 0.000 0.305 154 G HA3 0.464 4.424 3.960 -0.000 0.000 0.305 154 G C -0.760 174.034 174.900 -0.177 0.000 1.072 154 G CA -0.353 44.591 45.100 -0.261 0.000 1.016 154 G HN 0.458 nan 8.290 nan 0.000 0.418 155 L N 3.502 124.587 121.223 -0.230 0.000 2.281 155 L HA 0.648 4.988 4.340 -0.000 0.000 0.285 155 L C -1.045 175.676 176.870 -0.248 0.000 1.074 155 L CA -0.673 54.118 54.840 -0.082 0.000 0.817 155 L CB 0.099 42.182 42.059 0.039 0.000 1.168 155 L HN 0.333 nan 8.230 nan 0.000 0.434 156 F N 3.662 123.618 119.950 0.010 0.000 2.480 156 F HA 0.823 5.350 4.527 -0.000 0.000 0.329 156 F C 0.806 176.618 175.800 0.021 0.000 1.091 156 F CA -0.069 57.947 58.000 0.027 0.000 0.972 156 F CB 2.002 41.019 39.000 0.028 0.000 1.150 156 F HN 0.691 nan 8.300 nan 0.000 0.467 157 G N 0.919 109.841 108.800 0.205 0.000 2.627 157 G HA2 0.383 4.343 3.960 -0.000 0.000 0.680 157 G HA3 0.383 4.343 3.960 -0.000 0.000 0.680 157 G C -0.325 174.643 174.900 0.113 0.000 1.341 157 G CA -0.609 44.574 45.100 0.138 0.000 0.835 157 G HN 1.065 nan 8.290 nan 0.000 0.643 158 G N 0.271 109.135 108.800 0.107 0.000 3.372 158 G HA2 0.870 4.830 3.960 -0.000 0.000 0.178 158 G HA3 0.870 4.830 3.960 -0.000 0.000 0.178 158 G C 0.876 175.828 174.900 0.087 0.000 1.817 158 G CA 0.809 45.969 45.100 0.101 0.000 0.996 158 G HN 2.086 nan 8.290 nan 0.000 0.559 159 A N -2.123 120.743 122.820 0.077 0.000 2.264 159 A HA 0.592 4.912 4.320 -0.000 0.000 0.304 159 A C 1.165 178.788 177.584 0.065 0.000 1.100 159 A CA 0.648 52.726 52.037 0.068 0.000 0.839 159 A CB 0.195 19.230 19.000 0.058 0.000 1.121 159 A HN 2.372 nan 8.150 nan 0.000 0.496 160 G N -1.126 107.713 108.800 0.064 0.000 2.198 160 G HA2 -0.033 3.926 3.960 -0.000 0.000 0.257 160 G HA3 -0.033 3.926 3.960 -0.000 0.000 0.257 160 G C 0.387 175.338 174.900 0.085 0.000 1.042 160 G CA 0.970 46.112 45.100 0.070 0.000 0.791 160 G HN 2.165 nan 8.290 nan 0.000 0.502 161 V N -4.335 115.636 119.914 0.096 0.000 3.392 161 V HA 0.676 4.796 4.120 -0.000 0.000 0.294 161 V C 1.624 177.812 176.094 0.156 0.000 1.561 161 V CA 0.842 63.201 62.300 0.099 0.000 1.056 161 V CB 0.138 31.998 31.823 0.061 0.000 0.882 161 V HN 2.163 nan 8.190 nan 0.000 0.440 162 G N 1.864 110.760 108.800 0.160 0.000 2.256 162 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.272 162 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.272 162 G C 0.707 175.728 174.900 0.202 0.000 1.076 162 G CA 0.950 46.156 45.100 0.177 0.000 0.882 162 G HN 0.628 nan 8.290 nan 0.000 0.497 163 K N -0.377 120.116 120.400 0.154 0.000 2.002 163 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 163 K C 2.978 179.701 176.600 0.205 0.000 1.048 163 K CA 2.274 58.669 56.287 0.180 0.000 0.930 163 K CB -0.315 32.270 32.500 0.142 0.000 0.714 163 K HN 0.613 nan 8.250 nan 0.000 0.438 164 T N -1.473 113.152 114.554 0.118 0.000 2.833 164 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 164 T C 1.961 176.682 174.700 0.035 0.000 1.054 164 T CA 1.326 63.455 62.100 0.048 0.000 1.135 164 T CB -0.497 68.364 68.868 -0.012 0.000 0.869 164 T HN -0.002 nan 8.240 nan 0.000 0.466 165 V N 0.657 120.615 119.914 0.073 0.000 2.307 165 V HA -0.022 4.098 4.120 -0.000 0.000 0.245 165 V C 2.184 178.370 176.094 0.153 0.000 1.045 165 V CA 1.762 64.119 62.300 0.094 0.000 1.024 165 V CB -1.026 30.859 31.823 0.104 0.000 0.651 165 V HN 0.461 nan 8.190 nan 0.000 0.449 166 F N 0.527 120.553 119.950 0.126 0.000 2.095 166 F HA -0.217 4.309 4.527 -0.000 0.000 0.298 166 F C 2.154 177.965 175.800 0.019 0.000 1.104 166 F CA 1.803 59.869 58.000 0.110 0.000 1.232 166 F CB -0.204 38.920 39.000 0.207 0.000 0.987 166 F HN 0.038 nan 8.300 nan 0.000 0.475 167 I N -0.077 120.600 120.570 0.178 0.000 2.163 167 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 167 I C 2.390 178.364 176.117 -0.238 0.000 1.085 167 I CA 1.618 62.894 61.300 -0.039 0.000 1.347 167 I CB -0.627 37.285 38.000 -0.147 0.000 1.044 167 I HN 0.265 nan 8.210 nan 0.000 0.408 168 Q N 0.039 119.727 119.800 -0.187 0.000 2.119 168 Q HA -0.261 4.079 4.340 -0.000 0.000 0.201 168 Q C 2.085 177.969 176.000 -0.193 0.000 0.972 168 Q CA 1.482 57.180 55.803 -0.175 0.000 0.847 168 Q CB -0.040 28.633 28.738 -0.108 0.000 0.903 168 Q HN 0.357 nan 8.270 nan 0.000 0.433 169 E N 0.766 120.778 120.200 -0.313 0.000 2.106 169 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 169 E C 1.706 178.060 176.600 -0.410 0.000 0.984 169 E CA 0.761 56.871 56.400 -0.484 0.000 0.806 169 E CB -0.082 28.975 29.700 -1.072 0.000 0.750 169 E HN 0.274 nan 8.360 nan 0.000 0.458 170 L N 0.088 121.094 121.223 -0.361 0.000 2.046 170 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 170 L C 2.404 179.280 176.870 0.011 0.000 1.077 170 L CA 0.985 55.732 54.840 -0.155 0.000 0.747 170 L CB -0.394 41.694 42.059 0.049 0.000 0.896 170 L HN 0.221 nan 8.230 nan 0.000 0.432 171 I N 0.021 120.622 120.570 0.052 0.000 2.163 171 I HA -0.345 3.825 4.170 -0.000 0.000 0.243 171 I C 2.326 178.449 176.117 0.010 0.000 1.085 171 I CA 1.745 63.096 61.300 0.085 0.000 1.347 171 I CB -0.414 37.601 38.000 0.024 0.000 1.044 171 I HN 0.359 nan 8.210 nan 0.000 0.408 172 N N 1.034 119.700 118.700 -0.057 0.000 2.142 172 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 172 N C 1.562 177.020 175.510 -0.087 0.000 1.023 172 N CA 1.496 54.505 53.050 -0.068 0.000 0.852 172 N CB -0.061 38.371 38.487 -0.091 0.000 0.998 172 N HN 0.191 nan 8.380 nan 0.000 0.424 173 N N -0.030 118.596 118.700 -0.123 0.000 2.250 173 N HA 0.008 4.747 4.740 -0.000 0.000 0.181 173 N C 1.279 176.715 175.510 -0.123 0.000 1.017 173 N CA 0.504 53.469 53.050 -0.141 0.000 0.866 173 N CB -0.135 38.240 38.487 -0.188 0.000 0.985 173 N HN 0.253 nan 8.380 nan 0.000 0.429 174 I N 0.938 121.475 120.570 -0.056 0.000 2.493 174 I HA -0.056 4.114 4.170 -0.000 0.000 0.254 174 I C 2.066 178.162 176.117 -0.035 0.000 1.160 174 I CA 0.425 61.733 61.300 0.014 0.000 1.445 174 I CB -1.402 36.644 38.000 0.076 0.000 1.086 174 I HN 0.002 nan 8.210 nan 0.000 0.433 175 A N 0.546 123.330 122.820 -0.060 0.000 1.872 175 A HA -0.137 4.183 4.320 -0.000 0.000 0.214 175 A C 2.319 179.834 177.584 -0.115 0.000 1.187 175 A CA 1.165 53.141 52.037 -0.101 0.000 0.614 175 A CB -0.271 18.703 19.000 -0.044 0.000 0.826 175 A HN 0.173 nan 8.150 nan 0.000 0.442 176 K N -0.406 119.931 120.400 -0.105 0.000 2.167 176 K HA 0.095 4.415 4.320 -0.000 0.000 0.203 176 K C 2.049 178.561 176.600 -0.147 0.000 1.052 176 K CA 1.196 57.418 56.287 -0.107 0.000 0.956 176 K CB -0.290 32.156 32.500 -0.090 0.000 0.735 176 K HN 0.444 nan 8.250 nan 0.000 0.451 177 A N 0.136 122.824 122.820 -0.221 0.000 1.997 177 A HA -0.022 4.298 4.320 -0.000 0.000 0.212 177 A C 1.290 178.604 177.584 -0.450 0.000 1.178 177 A CA 0.686 52.501 52.037 -0.370 0.000 0.698 177 A CB -0.062 18.625 19.000 -0.521 0.000 0.842 177 A HN 0.216 nan 8.150 nan 0.000 0.458 178 H N -1.671 117.347 119.070 -0.087 0.000 3.058 178 H HA 0.258 4.814 4.556 -0.000 0.000 0.266 178 H C 1.343 176.593 175.328 -0.131 0.000 1.135 178 H CA 0.213 56.206 56.048 -0.092 0.000 1.174 178 H CB 0.292 30.006 29.762 -0.081 0.000 1.581 178 H HN 0.557 nan 8.280 nan 0.000 0.553 179 G N 1.499 110.248 108.800 -0.084 0.000 2.249 179 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.273 179 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.273 179 G C 0.613 175.312 174.900 -0.335 0.000 1.036 179 G CA 0.429 45.407 45.100 -0.203 0.000 0.824 179 G HN 0.673 nan 8.290 nan 0.000 0.504 180 G N -0.983 107.661 108.800 -0.259 0.000 2.379 180 G HA2 0.690 4.650 3.960 -0.000 0.000 0.327 180 G HA3 0.690 4.650 3.960 -0.000 0.000 0.327 180 G C -0.158 174.542 174.900 -0.332 0.000 1.145 180 G CA -0.942 43.979 45.100 -0.299 0.000 0.905 180 G HN 0.139 nan 8.290 nan 0.000 0.466 181 F N 0.509 120.306 119.950 -0.255 0.000 2.368 181 F HA 0.612 5.139 4.527 -0.000 0.000 0.308 181 F C 1.088 176.806 175.800 -0.137 0.000 1.198 181 F CA -0.395 57.420 58.000 -0.309 0.000 1.130 181 F CB 1.395 39.945 39.000 -0.749 0.000 1.300 181 F HN 0.291 nan 8.300 nan 0.000 0.537 182 S N -0.504 115.315 115.700 0.199 0.000 2.599 182 S HA 0.784 5.253 4.470 -0.000 0.000 0.287 182 S C -1.375 173.372 174.600 0.244 0.000 1.105 182 S CA -0.758 57.590 58.200 0.246 0.000 0.899 182 S CB 2.307 65.730 63.200 0.371 0.000 1.100 182 S HN 0.253 nan 8.310 nan 0.000 0.482 183 V N 2.441 122.529 119.914 0.290 0.000 2.524 183 V HA 0.439 4.559 4.120 -0.000 0.000 0.297 183 V C -1.301 174.985 176.094 0.320 0.000 1.035 183 V CA -0.603 61.842 62.300 0.241 0.000 0.867 183 V CB 1.208 33.137 31.823 0.177 0.000 1.004 183 V HN 0.840 nan 8.190 nan 0.000 0.426 184 F N 3.827 123.849 119.950 0.119 0.000 2.410 184 F HA 0.668 5.194 4.527 -0.000 0.000 0.349 184 F C 0.415 176.211 175.800 -0.007 0.000 1.117 184 F CA 0.201 58.264 58.000 0.106 0.000 1.104 184 F CB 1.411 40.392 39.000 -0.032 0.000 1.122 184 F HN 0.465 nan 8.300 nan 0.000 0.483 185 T N 4.911 119.228 114.554 -0.394 0.000 2.815 185 T HA 0.461 4.811 4.350 -0.000 0.000 0.289 185 T C 0.043 174.587 174.700 -0.261 0.000 1.000 185 T CA -0.629 61.337 62.100 -0.223 0.000 0.958 185 T CB 1.206 69.990 68.868 -0.140 0.000 0.944 185 T HN 0.851 nan 8.240 nan 0.000 0.442 186 G N 2.289 111.168 108.800 0.132 0.000 2.571 186 G HA2 0.495 4.455 3.960 -0.000 0.000 0.327 186 G HA3 0.495 4.455 3.960 -0.000 0.000 0.327 186 G C -0.244 174.788 174.900 0.219 0.000 1.008 186 G CA -0.403 44.900 45.100 0.338 0.000 1.136 186 G HN 0.669 nan 8.290 nan 0.000 0.444 187 V N 2.644 122.620 119.914 0.104 0.000 2.368 187 V HA 0.530 4.650 4.120 -0.000 0.000 0.266 187 V C 1.338 177.487 176.094 0.091 0.000 1.045 187 V CA 0.589 62.947 62.300 0.097 0.000 0.899 187 V CB 0.558 32.436 31.823 0.091 0.000 1.006 187 V HN 1.261 nan 8.190 nan 0.000 0.470 188 G N 3.889 112.736 108.800 0.079 0.000 2.221 188 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.265 188 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.265 188 G C 0.051 174.980 174.900 0.048 0.000 1.041 188 G CA 0.428 45.557 45.100 0.049 0.000 0.807 188 G HN 0.885 nan 8.290 nan 0.000 0.502 189 E N 0.255 120.494 120.200 0.065 0.000 2.376 189 E HA 0.376 4.726 4.350 -0.000 0.000 0.266 189 E C 1.088 177.656 176.600 -0.053 0.000 1.009 189 E CA -0.359 56.058 56.400 0.029 0.000 0.902 189 E CB 0.302 30.019 29.700 0.029 0.000 0.972 189 E HN 0.473 nan 8.360 nan 0.000 0.439 190 R N 3.668 124.141 120.500 -0.046 0.000 2.449 190 R HA 0.035 4.375 4.340 -0.000 0.000 0.296 190 R C 1.084 177.312 176.300 -0.119 0.000 1.047 190 R CA 0.266 56.330 56.100 -0.060 0.000 1.018 190 R CB 0.399 30.681 30.300 -0.030 0.000 0.962 190 R HN 0.692 nan 8.270 nan 0.000 0.428 191 T N 2.439 116.927 114.554 -0.111 0.000 2.624 191 T HA -0.258 4.092 4.350 -0.000 0.000 0.268 191 T C 1.792 176.418 174.700 -0.122 0.000 1.041 191 T CA 1.512 63.529 62.100 -0.139 0.000 1.159 191 T CB -0.164 68.654 68.868 -0.082 0.000 0.863 191 T HN 0.573 nan 8.240 nan 0.000 0.434 192 R N 0.863 121.321 120.500 -0.070 0.000 2.133 192 R HA -0.176 4.164 4.340 -0.000 0.000 0.247 192 R C 2.176 178.446 176.300 -0.050 0.000 1.151 192 R CA 1.911 57.984 56.100 -0.044 0.000 0.971 192 R CB -0.140 30.146 30.300 -0.023 0.000 0.866 192 R HN 0.552 nan 8.270 nan 0.000 0.447 193 E N -1.566 118.592 120.200 -0.070 0.000 2.230 193 E HA -0.030 4.320 4.350 -0.000 0.000 0.192 193 E C 1.827 178.367 176.600 -0.101 0.000 0.987 193 E CA 0.608 56.976 56.400 -0.054 0.000 0.841 193 E CB 0.042 29.730 29.700 -0.020 0.000 0.783 193 E HN 0.551 nan 8.360 nan 0.000 0.481 194 G N 1.943 110.589 108.800 -0.257 0.000 2.433 194 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.216 194 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.216 194 G C 1.430 176.265 174.900 -0.108 0.000 1.186 194 G CA 0.720 45.530 45.100 -0.482 0.000 0.779 194 G HN 0.200 nan 8.290 nan 0.000 0.543 195 N N 0.918 119.578 118.700 -0.067 0.000 2.094 195 N HA -0.154 4.586 4.740 -0.000 0.000 0.191 195 N C 1.583 177.144 175.510 0.085 0.000 1.023 195 N CA 1.696 54.781 53.050 0.058 0.000 0.857 195 N CB -0.233 38.269 38.487 0.026 0.000 1.013 195 N HN 0.151 nan 8.380 nan 0.000 0.426 196 D N 0.748 121.168 120.400 0.034 0.000 2.144 196 D HA -0.129 4.511 4.640 -0.000 0.000 0.199 196 D C 1.959 178.284 176.300 0.040 0.000 0.984 196 D CA 0.435 54.456 54.000 0.034 0.000 0.834 196 D CB -0.254 40.556 40.800 0.017 0.000 0.955 196 D HN 0.279 nan 8.370 nan 0.000 0.465 197 L N -0.270 120.978 121.223 0.042 0.000 2.109 197 L HA -0.113 4.227 4.340 -0.000 0.000 0.207 197 L C 2.165 179.084 176.870 0.082 0.000 1.086 197 L CA 1.260 56.108 54.840 0.014 0.000 0.760 197 L CB -0.566 41.468 42.059 -0.042 0.000 0.910 197 L HN -0.045 nan 8.230 nan 0.000 0.437 198 Y N 0.460 120.779 120.300 0.031 0.000 2.200 198 Y HA -0.215 4.335 4.550 -0.000 0.000 0.290 198 Y C 2.854 178.764 175.900 0.017 0.000 1.137 198 Y CA 2.036 60.162 58.100 0.043 0.000 1.163 198 Y CB -0.302 38.217 38.460 0.098 0.000 0.988 198 Y HN 0.186 nan 8.280 nan 0.000 0.518 199 R N 0.368 120.840 120.500 -0.046 0.000 2.115 199 R HA -0.172 4.168 4.340 -0.000 0.000 0.230 199 R C 2.215 178.461 176.300 -0.089 0.000 1.111 199 R CA 1.682 57.705 56.100 -0.129 0.000 0.976 199 R CB -0.264 30.021 30.300 -0.025 0.000 0.870 199 R HN 0.534 nan 8.270 nan 0.000 0.445 200 E N -0.144 120.042 120.200 -0.023 0.000 2.230 200 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 200 E C 1.854 178.455 176.600 0.001 0.000 0.987 200 E CA 0.497 56.917 56.400 0.034 0.000 0.841 200 E CB 0.124 29.861 29.700 0.063 0.000 0.783 200 E HN 0.349 nan 8.360 nan 0.000 0.481 201 M N 0.209 119.775 119.600 -0.057 0.000 2.254 201 M HA -0.086 4.394 4.480 -0.000 0.000 0.265 201 M C 2.040 178.286 176.300 -0.091 0.000 1.066 201 M CA 1.154 56.413 55.300 -0.067 0.000 1.123 201 M CB 0.092 32.653 32.600 -0.064 0.000 1.388 201 M HN -0.040 nan 8.290 nan 0.000 0.425 202 K N 0.300 120.603 120.400 -0.162 0.000 2.062 202 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 202 K C 1.739 178.273 176.600 -0.110 0.000 1.051 202 K CA 1.195 57.383 56.287 -0.166 0.000 0.941 202 K CB -0.086 32.256 32.500 -0.263 0.000 0.719 202 K HN 0.392 nan 8.250 nan 0.000 0.440 203 E N -0.059 120.084 120.200 -0.095 0.000 2.110 203 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 203 E C 1.853 178.410 176.600 -0.071 0.000 0.988 203 E CA 1.264 57.606 56.400 -0.096 0.000 0.804 203 E CB -0.002 29.634 29.700 -0.106 0.000 0.745 203 E HN 0.147 nan 8.360 nan 0.000 0.458 204 T N -1.873 112.676 114.554 -0.008 0.000 3.067 204 T HA 0.116 4.466 4.350 -0.000 0.000 0.257 204 T C 1.269 175.966 174.700 -0.006 0.000 1.105 204 T CA 1.028 63.146 62.100 0.029 0.000 1.104 204 T CB 0.076 68.995 68.868 0.084 0.000 0.925 204 T HN 0.419 nan 8.240 nan 0.000 0.498 205 G N 0.190 108.972 108.800 -0.029 0.000 2.194 205 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.236 205 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.236 205 G C 1.185 176.071 174.900 -0.023 0.000 0.987 205 G CA 0.660 45.743 45.100 -0.029 0.000 0.635 205 G HN 1.062 nan 8.290 nan 0.000 0.520 206 V N -1.237 118.662 119.914 -0.024 0.000 2.970 206 V HA 0.460 4.580 4.120 -0.000 0.000 0.260 206 V C 1.209 177.293 176.094 -0.016 0.000 1.100 206 V CA 1.300 63.589 62.300 -0.019 0.000 1.122 206 V CB -0.204 31.601 31.823 -0.031 0.000 0.721 206 V HN 0.467 nan 8.190 nan 0.000 0.483 207 I N 1.750 122.303 120.570 -0.029 0.000 2.433 207 I HA 0.505 4.675 4.170 -0.000 0.000 0.292 207 I C -0.700 175.394 176.117 -0.038 0.000 1.001 207 I CA -0.324 60.961 61.300 -0.024 0.000 1.119 207 I CB 1.780 39.770 38.000 -0.017 0.000 1.289 207 I HN 0.116 nan 8.210 nan 0.000 0.438 208 N N 6.708 125.394 118.700 -0.024 0.000 2.577 208 N HA 0.328 5.068 4.740 -0.000 0.000 0.275 208 N C 0.381 175.883 175.510 -0.014 0.000 1.091 208 N CA -0.360 52.675 53.050 -0.026 0.000 0.843 208 N CB 1.585 40.061 38.487 -0.018 0.000 1.295 208 N HN 0.552 nan 8.380 nan 0.000 0.530 209 L N 1.807 123.021 121.223 -0.015 0.000 2.012 209 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 209 L C 1.823 178.692 176.870 -0.000 0.000 1.073 209 L CA 1.336 56.178 54.840 0.003 0.000 0.748 209 L CB -0.078 41.985 42.059 0.006 0.000 0.891 209 L HN 0.517 nan 8.230 nan 0.000 0.431 210 E N -0.129 120.067 120.200 -0.008 0.000 2.208 210 E HA -0.044 4.306 4.350 -0.000 0.000 0.193 210 E C 1.511 178.108 176.600 -0.004 0.000 0.988 210 E CA 0.721 57.118 56.400 -0.006 0.000 0.828 210 E CB 0.053 29.747 29.700 -0.010 0.000 0.763 210 E HN 0.568 nan 8.360 nan 0.000 0.478 211 G N 0.548 109.345 108.800 -0.005 0.000 3.434 211 G HA2 0.223 4.183 3.960 -0.000 0.000 0.197 211 G HA3 0.223 4.183 3.960 -0.000 0.000 0.197 211 G C -0.496 174.405 174.900 0.002 0.000 1.559 211 G CA -0.454 44.646 45.100 -0.000 0.000 0.852 211 G HN -0.057 nan 8.290 nan 0.000 0.682 212 E N 0.071 120.274 120.200 0.006 0.000 2.199 212 E HA 0.537 4.887 4.350 -0.000 0.000 0.269 212 E C -0.993 175.607 176.600 -0.000 0.000 0.899 212 E CA -0.387 56.017 56.400 0.007 0.000 0.772 212 E CB 2.137 31.859 29.700 0.036 0.000 1.155 212 E HN 0.236 nan 8.360 nan 0.000 0.408 213 S N 1.539 117.221 115.700 -0.030 0.000 2.651 213 S HA 0.288 4.758 4.470 -0.000 0.000 0.291 213 S C 0.584 175.150 174.600 -0.057 0.000 1.141 213 S CA -0.794 57.384 58.200 -0.037 0.000 1.027 213 S CB 1.534 64.709 63.200 -0.042 0.000 1.043 213 S HN 0.424 nan 8.310 nan 0.000 0.530 214 K N 0.084 120.484 120.400 0.000 0.000 2.380 214 K HA 0.330 4.650 4.320 -0.000 0.000 0.198 214 K C -0.160 176.478 176.600 0.063 0.000 1.070 214 K CA 0.162 56.514 56.287 0.108 0.000 1.040 214 K CB 0.915 33.496 32.500 0.136 0.000 0.903 214 K HN 0.328 nan 8.250 nan 0.000 0.549 215 V N 0.227 120.138 119.914 -0.004 0.000 2.962 215 V HA 0.740 4.860 4.120 -0.000 0.000 0.313 215 V C -1.830 174.267 176.094 0.006 0.000 1.099 215 V CA -0.898 61.423 62.300 0.034 0.000 0.971 215 V CB 1.977 33.833 31.823 0.055 0.000 1.028 215 V HN 0.080 nan 8.190 nan 0.000 0.430 216 A N 5.836 128.686 122.820 0.050 0.000 2.318 216 A HA 0.841 5.161 4.320 -0.000 0.000 0.324 216 A C -1.063 176.521 177.584 0.001 0.000 1.170 216 A CA -0.638 51.414 52.037 0.026 0.000 0.810 216 A CB 0.943 19.983 19.000 0.068 0.000 1.198 216 A HN 0.860 nan 8.150 nan 0.000 0.484 217 L N 2.809 123.973 121.223 -0.099 0.000 2.282 217 L HA 0.557 4.896 4.340 -0.000 0.000 0.288 217 L C -0.895 175.756 176.870 -0.366 0.000 1.033 217 L CA -0.772 53.895 54.840 -0.288 0.000 0.807 217 L CB 1.654 43.446 42.059 -0.445 0.000 1.209 217 L HN 0.422 nan 8.230 nan 0.000 0.423 218 V N 3.676 123.359 119.914 -0.384 0.000 2.443 218 V HA 0.444 4.563 4.120 -0.000 0.000 0.293 218 V C -0.754 175.212 176.094 -0.213 0.000 1.021 218 V CA -0.444 61.715 62.300 -0.235 0.000 0.848 218 V CB 1.544 33.312 31.823 -0.090 0.000 0.998 218 V HN 0.352 nan 8.190 nan 0.000 0.424 219 F N 2.301 122.284 119.950 0.056 0.000 2.467 219 F HA 0.764 5.290 4.527 -0.000 0.000 0.336 219 F C 0.763 176.583 175.800 0.033 0.000 1.123 219 F CA -1.277 56.759 58.000 0.060 0.000 0.964 219 F CB 2.291 41.321 39.000 0.050 0.000 1.136 219 F HN 0.517 nan 8.300 nan 0.000 0.447 220 G N 3.548 112.498 108.800 0.251 0.000 2.955 220 G HA2 0.432 4.392 3.960 -0.000 0.000 0.336 220 G HA3 0.432 4.392 3.960 -0.000 0.000 0.336 220 G C -0.588 174.374 174.900 0.103 0.000 1.264 220 G CA -0.477 44.704 45.100 0.136 0.000 1.096 220 G HN 0.556 nan 8.290 nan 0.000 0.486 221 Q N 1.138 120.980 119.800 0.069 0.000 2.492 221 Q HA 0.201 4.541 4.340 -0.000 0.000 0.238 221 Q C 1.633 177.641 176.000 0.013 0.000 1.045 221 Q CA -0.194 55.618 55.803 0.016 0.000 0.934 221 Q CB 1.292 30.020 28.738 -0.017 0.000 1.276 221 Q HN 0.553 nan 8.270 nan 0.000 0.521 222 M N 1.508 121.106 119.600 -0.003 0.000 2.213 222 M HA -0.172 4.308 4.480 -0.000 0.000 0.263 222 M C 1.143 177.441 176.300 -0.003 0.000 1.062 222 M CA 1.222 56.521 55.300 -0.002 0.000 1.105 222 M CB -0.017 32.578 32.600 -0.008 0.000 1.385 222 M HN 0.621 nan 8.290 nan 0.000 0.417 223 N N 0.077 118.774 118.700 -0.005 0.000 2.362 223 N HA 0.013 4.753 4.740 -0.000 0.000 0.204 223 N C -0.618 174.892 175.510 0.000 0.000 1.166 223 N CA 0.161 53.209 53.050 -0.004 0.000 0.831 223 N CB -0.225 38.258 38.487 -0.007 0.000 1.008 223 N HN 0.373 nan 8.380 nan 0.000 0.472 224 E N 1.367 121.570 120.200 0.005 0.000 2.283 224 E HA 0.338 4.688 4.350 -0.000 0.000 0.267 224 E C -2.274 174.329 176.600 0.005 0.000 1.045 224 E CA -2.096 54.309 56.400 0.009 0.000 0.884 224 E CB 0.945 30.656 29.700 0.019 0.000 1.106 224 E HN 0.211 nan 8.360 nan 0.000 0.408 225 P HA 0.002 nan 4.420 nan 0.000 0.270 225 P C -2.184 175.114 177.300 -0.003 0.000 1.223 225 P CA -1.157 61.943 63.100 0.000 0.000 0.785 225 P CB 0.152 31.855 31.700 0.004 0.000 0.923 226 P HA -0.186 nan 4.420 nan 0.000 0.216 226 P C 1.685 178.973 177.300 -0.021 0.000 1.150 226 P CA 1.977 65.062 63.100 -0.025 0.000 0.843 226 P CB -0.701 30.978 31.700 -0.035 0.000 0.787 227 G N 0.407 109.203 108.800 -0.007 0.000 2.440 227 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 227 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 227 G C 1.773 176.683 174.900 0.017 0.000 1.154 227 G CA 1.192 46.296 45.100 0.006 0.000 0.767 227 G HN 0.390 nan 8.290 nan 0.000 0.552 228 A N 0.605 123.436 122.820 0.018 0.000 1.872 228 A HA 0.084 4.404 4.320 -0.000 0.000 0.214 228 A C 2.421 180.026 177.584 0.035 0.000 1.187 228 A CA 1.536 53.589 52.037 0.028 0.000 0.614 228 A CB -0.357 18.660 19.000 0.027 0.000 0.826 228 A HN 0.318 nan 8.150 nan 0.000 0.442 229 R N -0.488 120.027 120.500 0.025 0.000 2.152 229 R HA -0.022 4.318 4.340 -0.000 0.000 0.232 229 R C 2.231 178.557 176.300 0.044 0.000 1.117 229 R CA 1.042 57.162 56.100 0.033 0.000 0.981 229 R CB -0.311 29.995 30.300 0.011 0.000 0.870 229 R HN 0.530 nan 8.270 nan 0.000 0.451 230 A N 0.449 123.275 122.820 0.010 0.000 1.930 230 A HA -0.037 4.283 4.320 -0.000 0.000 0.215 230 A C 1.767 179.415 177.584 0.106 0.000 1.176 230 A CA 0.840 52.869 52.037 -0.014 0.000 0.632 230 A CB 0.044 18.996 19.000 -0.081 0.000 0.819 230 A HN 0.043 nan 8.150 nan 0.000 0.445 231 R N -0.071 120.476 120.500 0.078 0.000 2.223 231 R HA 0.016 4.356 4.340 -0.000 0.000 0.198 231 R C 2.021 178.346 176.300 0.043 0.000 0.984 231 R CA 1.249 57.386 56.100 0.063 0.000 1.018 231 R CB -1.236 29.084 30.300 0.034 0.000 0.945 231 R HN 0.537 nan 8.270 nan 0.000 0.479 232 V N -0.411 119.538 119.914 0.058 0.000 2.380 232 V HA -0.200 3.920 4.120 -0.000 0.000 0.251 232 V C 2.424 178.522 176.094 0.008 0.000 1.063 232 V CA 1.831 64.153 62.300 0.036 0.000 1.055 232 V CB -1.386 30.473 31.823 0.060 0.000 0.657 232 V HN 0.160 nan 8.190 nan 0.000 0.455 233 A N 1.072 123.906 122.820 0.023 0.000 1.917 233 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 233 A C 2.250 179.774 177.584 -0.101 0.000 1.182 233 A CA 2.359 54.350 52.037 -0.076 0.000 0.633 233 A CB -0.679 18.207 19.000 -0.190 0.000 0.819 233 A HN 0.613 nan 8.150 nan 0.000 0.448 234 L N -1.098 120.079 121.223 -0.075 0.000 2.217 234 L HA -0.098 4.242 4.340 -0.000 0.000 0.211 234 L C 2.645 179.454 176.870 -0.102 0.000 1.107 234 L CA 1.433 56.205 54.840 -0.114 0.000 0.783 234 L CB -0.982 40.972 42.059 -0.176 0.000 0.919 234 L HN 0.311 nan 8.230 nan 0.000 0.442 235 T N 0.079 114.587 114.554 -0.077 0.000 2.737 235 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 235 T C 1.942 176.611 174.700 -0.052 0.000 1.038 235 T CA 1.451 63.514 62.100 -0.062 0.000 1.144 235 T CB -0.529 68.316 68.868 -0.039 0.000 0.866 235 T HN 0.531 nan 8.240 nan 0.000 0.434 236 G N 1.569 110.340 108.800 -0.049 0.000 2.418 236 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 236 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 236 G C 1.541 176.424 174.900 -0.029 0.000 1.158 236 G CA 0.880 45.957 45.100 -0.037 0.000 0.771 236 G HN 0.428 nan 8.290 nan 0.000 0.545 237 L N 0.920 122.109 121.223 -0.057 0.000 2.083 237 L HA 0.032 4.372 4.340 -0.000 0.000 0.209 237 L C 2.765 179.619 176.870 -0.028 0.000 1.083 237 L CA 2.504 57.311 54.840 -0.055 0.000 0.752 237 L CB -0.920 41.082 42.059 -0.094 0.000 0.899 237 L HN 0.157 nan 8.230 nan 0.000 0.433 238 T N 0.018 114.549 114.554 -0.039 0.000 2.777 238 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 238 T C 1.944 176.635 174.700 -0.015 0.000 1.040 238 T CA 2.003 64.085 62.100 -0.029 0.000 1.141 238 T CB -0.306 68.532 68.868 -0.051 0.000 0.868 238 T HN 0.355 nan 8.240 nan 0.000 0.444 239 I N 1.419 121.974 120.570 -0.025 0.000 2.226 239 I HA -0.162 4.008 4.170 -0.000 0.000 0.245 239 I C 2.905 179.056 176.117 0.057 0.000 1.100 239 I CA 1.091 62.368 61.300 -0.037 0.000 1.374 239 I CB -0.485 37.513 38.000 -0.004 0.000 1.057 239 I HN 0.177 nan 8.210 nan 0.000 0.413 240 A N 0.413 123.311 122.820 0.131 0.000 1.933 240 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 240 A C 2.230 179.916 177.584 0.170 0.000 1.175 240 A CA 1.642 53.811 52.037 0.220 0.000 0.628 240 A CB -0.555 18.518 19.000 0.122 0.000 0.814 240 A HN 0.426 nan 8.150 nan 0.000 0.444 241 E N -1.657 118.591 120.200 0.079 0.000 2.077 241 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 241 E C 1.831 178.461 176.600 0.049 0.000 0.989 241 E CA 1.483 57.913 56.400 0.049 0.000 0.800 241 E CB -0.318 29.396 29.700 0.023 0.000 0.746 241 E HN 0.770 nan 8.360 nan 0.000 0.452 242 Y N 0.156 120.392 120.300 -0.106 0.000 2.165 242 Y HA -0.273 4.277 4.550 -0.000 0.000 0.286 242 Y C 1.756 177.571 175.900 -0.143 0.000 1.155 242 Y CA 1.564 59.556 58.100 -0.181 0.000 1.164 242 Y CB -0.191 38.077 38.460 -0.320 0.000 0.978 242 Y HN -0.007 nan 8.280 nan 0.000 0.513 243 F N 0.014 120.039 119.950 0.125 0.000 2.216 243 F HA -0.133 4.394 4.527 -0.000 0.000 0.300 243 F C 2.688 178.470 175.800 -0.030 0.000 1.085 243 F CA 1.768 59.813 58.000 0.076 0.000 1.326 243 F CB -0.732 38.380 39.000 0.187 0.000 1.027 243 F HN -0.007 nan 8.300 nan 0.000 0.497 244 R N 0.530 121.105 120.500 0.125 0.000 2.062 244 R HA -0.123 4.217 4.340 -0.000 0.000 0.229 244 R C 1.679 177.953 176.300 -0.043 0.000 1.128 244 R CA 1.960 58.078 56.100 0.030 0.000 0.960 244 R CB -0.321 29.990 30.300 0.018 0.000 0.855 244 R HN 0.147 nan 8.270 nan 0.000 0.432 245 D N 0.189 120.532 120.400 -0.094 0.000 2.137 245 D HA -0.103 4.537 4.640 -0.000 0.000 0.202 245 D C 1.799 177.983 176.300 -0.194 0.000 0.970 245 D CA 0.917 54.841 54.000 -0.127 0.000 0.837 245 D CB -0.041 40.690 40.800 -0.115 0.000 0.981 245 D HN 0.284 nan 8.370 nan 0.000 0.475 246 E N 0.693 120.673 120.200 -0.367 0.000 2.102 246 E HA -0.005 4.345 4.350 -0.000 0.000 0.190 246 E C 1.293 177.767 176.600 -0.210 0.000 0.971 246 E CA 0.537 56.689 56.400 -0.413 0.000 0.821 246 E CB 0.136 29.270 29.700 -0.943 0.000 0.777 246 E HN 0.418 nan 8.360 nan 0.000 0.460 247 E N -0.257 119.866 120.200 -0.128 0.000 2.501 247 E HA 0.172 4.522 4.350 -0.000 0.000 0.201 247 E C 0.337 176.939 176.600 0.003 0.000 1.016 247 E CA 0.118 56.520 56.400 0.004 0.000 0.920 247 E CB 0.793 30.584 29.700 0.152 0.000 1.023 247 E HN 0.218 nan 8.360 nan 0.000 0.474 248 G N 2.628 111.414 108.800 -0.023 0.000 2.390 248 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.299 248 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.299 248 G C -0.001 174.886 174.900 -0.022 0.000 1.002 248 G CA 0.658 45.743 45.100 -0.026 0.000 0.979 248 G HN 0.246 nan 8.290 nan 0.000 0.513 249 Q N -0.598 119.201 119.800 -0.002 0.000 2.180 249 Q HA 0.424 4.764 4.340 -0.000 0.000 0.241 249 Q C -0.538 175.440 176.000 -0.036 0.000 0.970 249 Q CA -0.828 54.956 55.803 -0.032 0.000 0.919 249 Q CB 1.060 29.773 28.738 -0.043 0.000 1.222 249 Q HN 0.286 nan 8.270 nan 0.000 0.482 250 D N 1.431 121.792 120.400 -0.065 0.000 2.412 250 D HA 0.238 4.878 4.640 -0.000 0.000 0.224 250 D C -0.874 175.397 176.300 -0.048 0.000 1.093 250 D CA -0.013 53.942 54.000 -0.075 0.000 0.850 250 D CB 1.159 41.871 40.800 -0.147 0.000 1.046 250 D HN 0.103 nan 8.370 nan 0.000 0.507 251 V N 2.524 122.428 119.914 -0.016 0.000 2.713 251 V HA 0.430 4.550 4.120 -0.000 0.000 0.307 251 V C 0.503 176.589 176.094 -0.014 0.000 1.052 251 V CA -0.846 61.465 62.300 0.018 0.000 0.967 251 V CB 2.001 33.886 31.823 0.103 0.000 1.019 251 V HN 0.330 nan 8.190 nan 0.000 0.459 252 L N 3.670 124.893 121.223 0.000 0.000 2.317 252 L HA 0.599 4.939 4.340 -0.000 0.000 0.281 252 L C -0.906 175.897 176.870 -0.111 0.000 1.024 252 L CA -0.562 54.211 54.840 -0.113 0.000 0.810 252 L CB 1.718 43.727 42.059 -0.082 0.000 1.240 252 L HN 0.458 nan 8.230 nan 0.000 0.427 253 L N 3.490 124.549 121.223 -0.273 0.000 2.372 253 L HA 0.546 4.886 4.340 -0.000 0.000 0.274 253 L C -1.273 175.377 176.870 -0.366 0.000 0.988 253 L CA 0.112 54.842 54.840 -0.184 0.000 0.833 253 L CB 1.168 43.150 42.059 -0.127 0.000 1.236 253 L HN 0.197 nan 8.230 nan 0.000 0.410 254 F N 5.968 125.864 119.950 -0.090 0.000 2.410 254 F HA 0.549 5.076 4.527 -0.000 0.000 0.349 254 F C 0.157 175.737 175.800 -0.366 0.000 1.117 254 F CA -0.321 57.570 58.000 -0.183 0.000 1.104 254 F CB 1.157 40.091 39.000 -0.110 0.000 1.122 254 F HN 0.238 nan 8.300 nan 0.000 0.483 255 I N 3.328 123.804 120.570 -0.157 0.000 2.411 255 I HA 0.246 4.416 4.170 -0.000 0.000 0.284 255 I C -1.182 174.845 176.117 -0.150 0.000 1.012 255 I CA -0.443 60.735 61.300 -0.203 0.000 1.119 255 I CB 1.533 39.419 38.000 -0.189 0.000 1.261 255 I HN 0.438 nan 8.210 nan 0.000 0.448 256 D N 6.438 126.726 120.400 -0.188 0.000 2.542 256 D HA 0.251 4.891 4.640 -0.000 0.000 0.252 256 D C -1.242 175.073 176.300 0.025 0.000 1.222 256 D CA -0.285 53.692 54.000 -0.038 0.000 0.895 256 D CB 1.355 42.176 40.800 0.034 0.000 1.207 256 D HN 0.343 nan 8.370 nan 0.000 0.558 257 N N 3.916 122.656 118.700 0.068 0.000 2.321 257 N HA 0.214 4.954 4.740 -0.000 0.000 0.299 257 N C 0.817 176.393 175.510 0.110 0.000 1.048 257 N CA -0.512 52.591 53.050 0.090 0.000 0.836 257 N CB 1.828 40.401 38.487 0.143 0.000 1.269 257 N HN 0.475 nan 8.380 nan 0.000 0.486 258 I N 3.274 123.898 120.570 0.089 0.000 2.394 258 I HA -0.132 4.038 4.170 -0.000 0.000 0.251 258 I C 1.698 177.970 176.117 0.260 0.000 1.136 258 I CA 0.977 62.344 61.300 0.111 0.000 1.425 258 I CB -0.161 37.840 38.000 0.001 0.000 1.079 258 I HN 0.584 nan 8.210 nan 0.000 0.425 259 F N 1.621 121.659 119.950 0.146 0.000 2.202 259 F HA -0.202 4.325 4.527 -0.000 0.000 0.301 259 F C 2.408 178.314 175.800 0.177 0.000 1.082 259 F CA 1.618 59.735 58.000 0.195 0.000 1.313 259 F CB -0.336 38.821 39.000 0.263 0.000 1.024 259 F HN -0.049 nan 8.300 nan 0.000 0.495 260 R N -0.971 119.565 120.500 0.059 0.000 2.148 260 R HA -0.135 4.205 4.340 -0.000 0.000 0.223 260 R C 2.241 178.522 176.300 -0.033 0.000 1.088 260 R CA 1.354 57.419 56.100 -0.058 0.000 0.985 260 R CB -0.777 29.549 30.300 0.043 0.000 0.880 260 R HN 0.456 nan 8.270 nan 0.000 0.451 261 F N 1.502 121.403 119.950 -0.083 0.000 2.134 261 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 261 F C 1.976 177.725 175.800 -0.086 0.000 1.097 261 F CA 1.544 59.503 58.000 -0.068 0.000 1.264 261 F CB -0.340 38.630 39.000 -0.049 0.000 1.001 261 F HN -0.186 nan 8.300 nan 0.000 0.479 262 T N 0.670 115.119 114.554 -0.174 0.000 2.643 262 T HA -0.185 4.165 4.350 -0.000 0.000 0.264 262 T C 1.878 176.413 174.700 -0.276 0.000 1.045 262 T CA 1.572 63.515 62.100 -0.262 0.000 1.155 262 T CB -0.310 68.526 68.868 -0.053 0.000 0.863 262 T HN 0.291 nan 8.240 nan 0.000 0.420 263 Q N 0.726 120.300 119.800 -0.378 0.000 2.135 263 Q HA -0.068 4.271 4.340 -0.000 0.000 0.204 263 Q C 2.694 178.567 176.000 -0.211 0.000 0.981 263 Q CA 1.547 57.166 55.803 -0.306 0.000 0.856 263 Q CB -0.679 27.810 28.738 -0.415 0.000 0.902 263 Q HN 0.569 nan 8.270 nan 0.000 0.425 264 A N 0.939 123.628 122.820 -0.217 0.000 1.865 264 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 264 A C 2.397 179.868 177.584 -0.188 0.000 1.191 264 A CA 2.016 53.952 52.037 -0.169 0.000 0.623 264 A CB -1.284 17.632 19.000 -0.141 0.000 0.826 264 A HN 0.467 nan 8.150 nan 0.000 0.444 265 G N -1.178 107.445 108.800 -0.296 0.000 2.442 265 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.219 265 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.219 265 G C 1.917 176.731 174.900 -0.143 0.000 1.141 265 G CA 1.536 46.478 45.100 -0.262 0.000 0.763 265 G HN 0.548 nan 8.290 nan 0.000 0.554 266 S N 0.063 115.693 115.700 -0.117 0.000 2.368 266 S HA -0.086 4.384 4.470 -0.000 0.000 0.225 266 S C 2.278 176.836 174.600 -0.070 0.000 1.030 266 S CA 1.781 59.946 58.200 -0.059 0.000 0.999 266 S CB -0.207 62.964 63.200 -0.048 0.000 0.844 266 S HN 0.598 nan 8.310 nan 0.000 0.459 267 E N 0.015 120.163 120.200 -0.086 0.000 2.072 267 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 267 E C 2.143 178.713 176.600 -0.051 0.000 0.985 267 E CA 1.249 57.609 56.400 -0.066 0.000 0.801 267 E CB -0.178 29.482 29.700 -0.067 0.000 0.750 267 E HN 0.303 nan 8.360 nan 0.000 0.452 268 V N 0.985 120.865 119.914 -0.057 0.000 2.287 268 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 268 V C 2.455 178.530 176.094 -0.031 0.000 1.053 268 V CA 2.067 64.343 62.300 -0.040 0.000 1.027 268 V CB -0.601 31.195 31.823 -0.046 0.000 0.646 268 V HN 0.306 nan 8.190 nan 0.000 0.447 269 S N -0.157 115.521 115.700 -0.036 0.000 2.370 269 S HA -0.214 4.256 4.470 -0.000 0.000 0.226 269 S C 2.108 176.698 174.600 -0.017 0.000 1.033 269 S CA 1.794 59.980 58.200 -0.022 0.000 1.011 269 S CB -0.364 62.824 63.200 -0.020 0.000 0.852 269 S HN 0.621 nan 8.310 nan 0.000 0.457 270 A N 1.465 124.271 122.820 -0.023 0.000 1.877 270 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 270 A C 2.262 179.837 177.584 -0.015 0.000 1.186 270 A CA 1.518 53.544 52.037 -0.020 0.000 0.620 270 A CB -0.870 18.113 19.000 -0.029 0.000 0.822 270 A HN 0.589 nan 8.150 nan 0.000 0.443 271 L N -0.683 120.531 121.223 -0.016 0.000 2.131 271 L HA -0.118 4.222 4.340 -0.000 0.000 0.210 271 L C 2.077 178.945 176.870 -0.004 0.000 1.092 271 L CA 0.737 55.571 54.840 -0.010 0.000 0.759 271 L CB -0.403 41.649 42.059 -0.011 0.000 0.903 271 L HN 0.356 nan 8.230 nan 0.000 0.435 272 L N -0.435 120.786 121.223 -0.004 0.000 2.610 272 L HA 0.069 4.409 4.340 -0.000 0.000 0.232 272 L C 1.499 178.371 176.870 0.003 0.000 1.149 272 L CA 0.603 55.444 54.840 0.002 0.000 0.872 272 L CB -0.503 41.557 42.059 0.002 0.000 0.992 272 L HN 0.492 nan 8.230 nan 0.000 0.447 273 G N 0.433 109.233 108.800 -0.000 0.000 2.141 273 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.242 273 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.242 273 G C 0.294 175.196 174.900 0.002 0.000 0.982 273 G CA -0.284 44.817 45.100 0.001 0.000 0.662 273 G HN 0.354 nan 8.290 nan 0.000 0.527 274 R N -0.512 119.989 120.500 0.001 0.000 2.543 274 R HA 0.459 4.799 4.340 -0.000 0.000 0.277 274 R C 0.435 176.737 176.300 0.004 0.000 1.074 274 R CA -0.627 55.475 56.100 0.003 0.000 1.076 274 R CB 0.523 30.825 30.300 0.003 0.000 0.993 274 R HN 0.156 nan 8.270 nan 0.000 0.459 275 I N 5.124 125.698 120.570 0.007 0.000 2.533 275 I HA 0.061 4.230 4.170 -0.000 0.000 0.284 275 I C -1.833 174.291 176.117 0.013 0.000 1.109 275 I CA -1.935 59.370 61.300 0.008 0.000 1.412 275 I CB 0.300 38.306 38.000 0.010 0.000 1.396 275 I HN 0.423 nan 8.210 nan 0.000 0.543 276 P HA 0.188 nan 4.420 nan 0.000 0.272 276 P C -0.233 177.087 177.300 0.033 0.000 1.223 276 P CA -0.311 62.800 63.100 0.018 0.000 0.784 276 P CB 0.837 32.537 31.700 0.001 0.000 0.923 277 S N 0.812 116.548 115.700 0.059 0.000 2.521 277 S HA 0.657 5.127 4.470 -0.000 0.000 0.278 277 S C -0.193 174.458 174.600 0.085 0.000 1.140 277 S CA -0.430 57.813 58.200 0.072 0.000 1.028 277 S CB -0.103 63.151 63.200 0.091 0.000 1.203 277 S HN 0.516 nan 8.310 nan 0.000 0.491 278 A N 0.311 123.193 122.820 0.102 0.000 2.540 278 A HA 0.399 4.719 4.320 -0.000 0.000 0.239 278 A C 1.028 178.713 177.584 0.168 0.000 1.061 278 A CA 0.409 52.512 52.037 0.110 0.000 0.758 278 A CB -0.810 18.251 19.000 0.101 0.000 0.991 278 A HN 1.623 nan 8.150 nan 0.000 0.502 279 V N 1.060 121.039 119.914 0.109 0.000 2.666 279 V HA -0.318 3.802 4.120 -0.000 0.000 0.147 279 V C 1.760 177.810 176.094 -0.074 0.000 0.450 279 V CA 1.706 64.055 62.300 0.081 0.000 1.232 279 V CB -2.445 29.505 31.823 0.211 0.000 1.437 279 V HN 2.942 nan 8.190 nan 0.000 1.056 280 G N -2.751 106.019 108.800 -0.051 0.000 2.176 280 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.253 280 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.253 280 G C -0.178 174.612 174.900 -0.183 0.000 0.979 280 G CA 0.236 45.259 45.100 -0.129 0.000 0.641 280 G HN 0.879 nan 8.290 nan 0.000 0.530 281 Y N 1.758 122.075 120.300 0.028 0.000 2.299 281 Y HA 0.430 4.980 4.550 -0.000 0.000 0.335 281 Y C 1.393 177.293 175.900 0.001 0.000 1.287 281 Y CA -0.064 58.045 58.100 0.015 0.000 1.424 281 Y CB 0.472 38.953 38.460 0.035 0.000 1.326 281 Y HN 0.403 nan 8.280 nan 0.000 0.567 282 Q N 3.626 123.528 119.800 0.169 0.000 2.395 282 Q HA 0.042 4.382 4.340 -0.000 0.000 0.271 282 Q C -2.214 173.835 176.000 0.082 0.000 1.026 282 Q CA -1.503 54.347 55.803 0.077 0.000 0.900 282 Q CB 0.729 29.486 28.738 0.032 0.000 1.266 282 Q HN 0.402 nan 8.270 nan 0.000 0.430 283 P HA -0.137 nan 4.420 nan 0.000 0.219 283 P C 0.857 178.181 177.300 0.040 0.000 1.146 283 P CA 1.641 64.768 63.100 0.045 0.000 0.808 283 P CB -0.114 31.604 31.700 0.030 0.000 0.779 284 T N -3.240 111.333 114.554 0.032 0.000 3.219 284 T HA 0.103 4.453 4.350 -0.000 0.000 0.249 284 T C 1.525 176.245 174.700 0.033 0.000 1.099 284 T CA -0.282 61.834 62.100 0.027 0.000 0.988 284 T CB -0.854 68.023 68.868 0.016 0.000 0.999 284 T HN -0.120 nan 8.240 nan 0.000 0.550 285 L N 1.874 123.119 121.223 0.038 0.000 2.034 285 L HA -0.118 4.222 4.340 -0.000 0.000 0.217 285 L C 2.630 179.530 176.870 0.049 0.000 1.077 285 L CA 2.288 57.146 54.840 0.031 0.000 0.769 285 L CB -1.055 41.012 42.059 0.014 0.000 0.890 285 L HN 0.364 nan 8.230 nan 0.000 0.435 286 A N -1.488 121.366 122.820 0.057 0.000 1.872 286 A HA -0.159 4.161 4.320 -0.000 0.000 0.214 286 A C 2.324 179.972 177.584 0.106 0.000 1.187 286 A CA 2.160 54.251 52.037 0.089 0.000 0.614 286 A CB -1.299 17.744 19.000 0.072 0.000 0.826 286 A HN 0.628 nan 8.150 nan 0.000 0.442 287 T N -2.017 112.584 114.554 0.078 0.000 2.821 287 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 287 T C 1.351 176.103 174.700 0.086 0.000 1.046 287 T CA 1.408 63.554 62.100 0.076 0.000 1.139 287 T CB -0.497 68.403 68.868 0.054 0.000 0.871 287 T HN 0.316 nan 8.240 nan 0.000 0.454 288 D N 1.035 121.485 120.400 0.084 0.000 2.116 288 D HA -0.082 4.558 4.640 -0.000 0.000 0.193 288 D C 1.912 178.347 176.300 0.225 0.000 0.998 288 D CA 1.217 55.285 54.000 0.113 0.000 0.836 288 D CB -0.407 40.406 40.800 0.021 0.000 0.951 288 D HN 0.327 nan 8.370 nan 0.000 0.449 289 M N 0.408 120.122 119.600 0.191 0.000 2.132 289 M HA 0.041 4.521 4.480 -0.000 0.000 0.263 289 M C 1.957 178.228 176.300 -0.050 0.000 1.065 289 M CA 1.704 57.095 55.300 0.151 0.000 1.122 289 M CB -0.654 32.028 32.600 0.135 0.000 1.365 289 M HN -0.004 nan 8.290 nan 0.000 0.411 290 G N 0.032 108.852 108.800 0.032 0.000 2.418 290 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 290 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 290 G C 1.491 176.387 174.900 -0.007 0.000 1.158 290 G CA 1.050 46.163 45.100 0.021 0.000 0.771 290 G HN 0.501 nan 8.290 nan 0.000 0.545 291 L N -0.343 120.902 121.223 0.038 0.000 2.191 291 L HA -0.007 4.333 4.340 -0.000 0.000 0.212 291 L C 2.598 179.468 176.870 0.001 0.000 1.103 291 L CA 0.349 55.216 54.840 0.044 0.000 0.769 291 L CB -0.267 41.847 42.059 0.091 0.000 0.908 291 L HN 0.261 nan 8.230 nan 0.000 0.438 292 L N -1.032 120.164 121.223 -0.045 0.000 2.071 292 L HA -0.102 4.237 4.340 -0.000 0.000 0.201 292 L C 2.565 179.307 176.870 -0.215 0.000 1.076 292 L CA 1.602 56.336 54.840 -0.176 0.000 0.755 292 L CB -0.577 41.235 42.059 -0.412 0.000 0.915 292 L HN 0.118 nan 8.230 nan 0.000 0.445 293 Q N -0.008 119.620 119.800 -0.286 0.000 2.119 293 Q HA -0.155 4.185 4.340 -0.000 0.000 0.201 293 Q C 2.025 177.928 176.000 -0.162 0.000 0.972 293 Q CA 1.260 56.874 55.803 -0.314 0.000 0.847 293 Q CB -0.349 28.008 28.738 -0.635 0.000 0.903 293 Q HN 0.599 nan 8.270 nan 0.000 0.433 294 E N 0.612 120.753 120.200 -0.099 0.000 2.401 294 E HA -0.127 4.223 4.350 -0.000 0.000 0.199 294 E C 1.752 178.336 176.600 -0.027 0.000 1.023 294 E CA 0.469 56.859 56.400 -0.016 0.000 0.859 294 E CB 0.002 29.718 29.700 0.027 0.000 0.780 294 E HN 0.300 nan 8.360 nan 0.000 0.523 295 R N -0.023 120.445 120.500 -0.054 0.000 2.200 295 R HA 0.142 4.482 4.340 -0.000 0.000 0.208 295 R C 0.802 177.068 176.300 -0.056 0.000 1.033 295 R CA 0.150 56.222 56.100 -0.046 0.000 1.000 295 R CB 0.226 30.495 30.300 -0.051 0.000 0.906 295 R HN 0.049 nan 8.270 nan 0.000 0.462 296 I N 1.305 121.829 120.570 -0.078 0.000 2.308 296 I HA 0.092 4.262 4.170 -0.000 0.000 0.293 296 I C 0.157 176.236 176.117 -0.064 0.000 1.078 296 I CA 0.301 61.551 61.300 -0.082 0.000 1.292 296 I CB 1.142 39.072 38.000 -0.117 0.000 1.423 296 I HN -0.056 nan 8.210 nan 0.000 0.493 297 T N 3.056 117.577 114.554 -0.056 0.000 2.686 297 T HA 0.241 4.590 4.350 -0.000 0.000 0.308 297 T C -0.831 173.838 174.700 -0.052 0.000 1.667 297 T CA -0.499 61.571 62.100 -0.050 0.000 0.987 297 T CB 1.512 70.356 68.868 -0.039 0.000 1.652 297 T HN 0.392 nan 8.240 nan 0.000 0.496 298 T N 2.831 117.352 114.554 -0.056 0.000 2.806 298 T HA 0.619 4.968 4.350 -0.000 0.000 0.290 298 T C 0.453 175.117 174.700 -0.060 0.000 0.966 298 T CA -0.336 61.729 62.100 -0.059 0.000 1.060 298 T CB 0.902 69.732 68.868 -0.064 0.000 0.927 298 T HN 0.846 nan 8.240 nan 0.000 0.485 299 T N 0.237 114.757 114.554 -0.055 0.000 2.870 299 T HA 0.461 4.811 4.350 -0.000 0.000 0.277 299 T C 1.109 175.776 174.700 -0.055 0.000 1.000 299 T CA -1.042 61.025 62.100 -0.055 0.000 0.982 299 T CB 1.276 70.116 68.868 -0.046 0.000 1.249 299 T HN 0.397 nan 8.240 nan 0.000 0.589 300 K N -0.038 120.331 120.400 -0.051 0.000 2.288 300 K HA 0.054 4.374 4.320 -0.000 0.000 0.201 300 K C 2.096 178.670 176.600 -0.043 0.000 1.048 300 K CA 0.494 56.753 56.287 -0.047 0.000 0.956 300 K CB 0.030 32.504 32.500 -0.043 0.000 0.746 300 K HN 0.327 nan 8.250 nan 0.000 0.461 301 K N 0.213 120.587 120.400 -0.044 0.000 2.076 301 K HA 0.036 4.356 4.320 -0.000 0.000 0.204 301 K C 1.338 177.912 176.600 -0.043 0.000 1.051 301 K CA 1.096 57.357 56.287 -0.043 0.000 0.949 301 K CB 0.399 32.870 32.500 -0.048 0.000 0.726 301 K HN 0.288 nan 8.250 nan 0.000 0.443 302 G N -0.358 108.416 108.800 -0.044 0.000 2.529 302 G HA2 0.266 4.226 3.960 -0.000 0.000 0.238 302 G HA3 0.266 4.226 3.960 -0.000 0.000 0.238 302 G C -1.447 173.423 174.900 -0.049 0.000 1.207 302 G CA 0.060 45.133 45.100 -0.046 0.000 0.928 302 G HN 0.179 nan 8.290 nan 0.000 0.495 303 S N -1.606 114.066 115.700 -0.047 0.000 2.550 303 S HA 0.686 5.156 4.470 -0.000 0.000 0.270 303 S C -1.548 173.029 174.600 -0.038 0.000 1.145 303 S CA -0.588 57.582 58.200 -0.050 0.000 0.852 303 S CB 1.759 64.918 63.200 -0.069 0.000 1.119 303 S HN 1.201 nan 8.310 nan 0.000 0.465 304 V N 2.289 122.177 119.914 -0.042 0.000 2.417 304 V HA 0.640 4.760 4.120 -0.000 0.000 0.291 304 V C -0.211 175.837 176.094 -0.076 0.000 1.024 304 V CA -0.288 61.986 62.300 -0.044 0.000 0.861 304 V CB 1.569 33.371 31.823 -0.035 0.000 0.985 304 V HN 1.044 nan 8.190 nan 0.000 0.436 305 T N 3.301 117.798 114.554 -0.095 0.000 2.807 305 T HA 0.464 4.814 4.350 -0.000 0.000 0.279 305 T C -0.284 174.295 174.700 -0.203 0.000 0.993 305 T CA -0.395 61.628 62.100 -0.128 0.000 0.970 305 T CB 1.582 70.394 68.868 -0.095 0.000 0.950 305 T HN 0.601 nan 8.240 nan 0.000 0.441 306 S N 2.169 117.730 115.700 -0.231 0.000 2.519 306 S HA 0.612 5.082 4.470 -0.000 0.000 0.309 306 S C -0.584 173.815 174.600 -0.334 0.000 1.100 306 S CA -0.613 57.409 58.200 -0.297 0.000 1.059 306 S CB 0.612 63.668 63.200 -0.239 0.000 1.008 306 S HN 0.477 nan 8.310 nan 0.000 0.478 307 V N 5.911 125.571 119.914 -0.424 0.000 2.370 307 V HA 0.487 4.607 4.120 -0.000 0.000 0.279 307 V C -0.342 175.659 176.094 -0.155 0.000 1.029 307 V CA -0.427 61.705 62.300 -0.280 0.000 0.870 307 V CB 1.264 32.976 31.823 -0.184 0.000 0.984 307 V HN 0.860 nan 8.190 nan 0.000 0.451 308 Q N 3.192 122.907 119.800 -0.142 0.000 2.290 308 Q HA 0.665 5.005 4.340 -0.000 0.000 0.269 308 Q C -0.416 175.499 176.000 -0.143 0.000 1.016 308 Q CA -0.535 55.187 55.803 -0.136 0.000 0.754 308 Q CB 2.387 31.016 28.738 -0.182 0.000 1.247 308 Q HN 0.881 nan 8.270 nan 0.000 0.451 309 A N 2.452 125.226 122.820 -0.076 0.000 2.450 309 A HA 0.471 4.791 4.320 -0.000 0.000 0.255 309 A C -0.272 177.239 177.584 -0.122 0.000 1.096 309 A CA -0.173 51.809 52.037 -0.093 0.000 0.778 309 A CB 0.478 19.490 19.000 0.020 0.000 1.031 309 A HN 0.495 nan 8.150 nan 0.000 0.494 310 V N 3.353 123.098 119.914 -0.282 0.000 2.495 310 V HA 0.336 4.456 4.120 -0.000 0.000 0.298 310 V C -0.884 175.170 176.094 -0.066 0.000 1.031 310 V CA -0.409 61.751 62.300 -0.233 0.000 0.871 310 V CB 1.400 32.890 31.823 -0.555 0.000 0.988 310 V HN 0.817 nan 8.190 nan 0.000 0.432 311 Y N 4.548 124.825 120.300 -0.038 0.000 2.360 311 Y HA 0.691 5.241 4.550 -0.000 0.000 0.337 311 Y C -0.452 175.334 175.900 -0.192 0.000 1.039 311 Y CA -0.726 57.308 58.100 -0.109 0.000 1.109 311 Y CB 1.912 40.275 38.460 -0.161 0.000 1.201 311 Y HN 0.364 nan 8.280 nan 0.000 0.458 312 V N 8.833 128.259 119.914 -0.813 0.000 2.334 312 V HA 0.352 4.472 4.120 -0.000 0.000 0.281 312 V C -2.303 173.283 176.094 -0.847 0.000 1.016 312 V CA -2.102 59.864 62.300 -0.556 0.000 0.832 312 V CB 1.067 32.774 31.823 -0.194 0.000 0.999 312 V HN 0.715 nan 8.190 nan 0.000 0.439 313 P HA 0.224 nan 4.420 nan 0.000 0.271 313 P C 0.536 177.746 177.300 -0.149 0.000 1.220 313 P CA 0.488 63.419 63.100 -0.283 0.000 0.768 313 P CB 0.842 32.535 31.700 -0.013 0.000 0.848 314 A N 3.899 126.671 122.820 -0.080 0.000 2.798 314 A HA -0.250 4.070 4.320 -0.000 0.000 0.282 314 A C 0.794 178.339 177.584 -0.066 0.000 1.464 314 A CA 1.037 53.054 52.037 -0.034 0.000 0.844 314 A CB -2.560 16.443 19.000 0.006 0.000 1.006 314 A HN 0.658 nan 8.150 nan 0.000 0.577 315 D N -1.152 119.171 120.400 -0.128 0.000 2.737 315 D HA -0.191 4.449 4.640 -0.000 0.000 0.233 315 D C -0.218 176.028 176.300 -0.091 0.000 1.155 315 D CA 1.978 55.909 54.000 -0.115 0.000 0.667 315 D CB -0.857 39.898 40.800 -0.074 0.000 1.060 315 D HN 0.908 nan 8.370 nan 0.000 0.427 316 D N 0.190 120.536 120.400 -0.090 0.000 2.427 316 D HA 0.264 4.904 4.640 -0.000 0.000 0.226 316 D C 1.272 177.523 176.300 -0.082 0.000 1.076 316 D CA -0.556 53.405 54.000 -0.066 0.000 0.849 316 D CB 0.598 41.381 40.800 -0.028 0.000 1.052 316 D HN 0.055 nan 8.370 nan 0.000 0.515 317 L N 2.529 123.685 121.223 -0.112 0.000 2.478 317 L HA -0.021 4.319 4.340 -0.000 0.000 0.223 317 L C 2.067 178.851 176.870 -0.144 0.000 1.140 317 L CA 1.092 55.828 54.840 -0.174 0.000 0.842 317 L CB -0.102 41.807 42.059 -0.250 0.000 0.953 317 L HN 0.490 nan 8.230 nan 0.000 0.452 318 T N -4.823 109.680 114.554 -0.085 0.000 3.122 318 T HA -0.014 4.336 4.350 -0.000 0.000 0.250 318 T C 0.676 175.369 174.700 -0.011 0.000 1.067 318 T CA -0.493 61.575 62.100 -0.052 0.000 0.966 318 T CB -0.269 68.576 68.868 -0.039 0.000 1.002 318 T HN 0.133 nan 8.240 nan 0.000 0.542 319 D N 2.452 122.855 120.400 0.004 0.000 2.472 319 D HA 0.049 4.689 4.640 -0.000 0.000 0.237 319 D C -1.480 174.839 176.300 0.032 0.000 1.141 319 D CA -1.493 52.547 54.000 0.066 0.000 0.875 319 D CB 1.636 42.497 40.800 0.102 0.000 1.192 319 D HN 0.018 nan 8.370 nan 0.000 0.450 320 P HA -0.169 nan 4.420 nan 0.000 0.217 320 P C 0.733 177.886 177.300 -0.244 0.000 1.148 320 P CA 1.619 64.648 63.100 -0.118 0.000 0.834 320 P CB 0.179 31.796 31.700 -0.139 0.000 0.783 321 A N 0.123 122.767 122.820 -0.293 0.000 1.840 321 A HA -0.064 4.256 4.320 -0.000 0.000 0.214 321 A C -0.045 177.604 177.584 0.109 0.000 1.198 321 A CA 1.755 53.709 52.037 -0.139 0.000 0.608 321 A CB -2.124 17.016 19.000 0.233 0.000 0.839 321 A HN 0.202 nan 8.150 nan 0.000 0.443 322 P HA -0.137 nan 4.420 nan 0.000 0.216 322 P C 1.636 179.107 177.300 0.284 0.000 1.153 322 P CA 2.072 65.343 63.100 0.285 0.000 0.848 322 P CB -0.221 31.586 31.700 0.179 0.000 0.787 323 A N -0.053 122.826 122.820 0.098 0.000 1.908 323 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 323 A C 2.344 179.997 177.584 0.115 0.000 1.181 323 A CA 2.672 54.747 52.037 0.064 0.000 0.627 323 A CB -1.943 17.057 19.000 0.001 0.000 0.818 323 A HN 0.216 nan 8.150 nan 0.000 0.445 324 T N -0.214 114.396 114.554 0.093 0.000 2.737 324 T HA -0.113 4.236 4.350 -0.000 0.000 0.265 324 T C 2.031 176.861 174.700 0.217 0.000 1.038 324 T CA 1.923 64.094 62.100 0.118 0.000 1.144 324 T CB -0.661 68.251 68.868 0.075 0.000 0.866 324 T HN 0.569 nan 8.240 nan 0.000 0.434 325 T N 1.702 116.395 114.554 0.232 0.000 2.708 325 T HA -0.027 4.323 4.350 -0.000 0.000 0.266 325 T C 1.608 176.436 174.700 0.214 0.000 1.037 325 T CA 1.001 63.236 62.100 0.225 0.000 1.146 325 T CB -0.631 68.345 68.868 0.179 0.000 0.865 325 T HN 0.249 nan 8.240 nan 0.000 0.435 326 F N 1.672 121.681 119.950 0.097 0.000 2.307 326 F HA 0.006 4.533 4.527 -0.000 0.000 0.301 326 F C 2.522 178.342 175.800 0.034 0.000 1.076 326 F CA 0.532 58.578 58.000 0.076 0.000 1.383 326 F CB -0.533 38.507 39.000 0.066 0.000 1.055 326 F HN 0.138 nan 8.300 nan 0.000 0.526 327 A N -0.797 122.121 122.820 0.163 0.000 1.940 327 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 327 A C 1.885 179.386 177.584 -0.137 0.000 1.176 327 A CA 1.748 53.767 52.037 -0.030 0.000 0.631 327 A CB -0.895 18.014 19.000 -0.152 0.000 0.814 327 A HN 0.476 nan 8.150 nan 0.000 0.446 328 H N -1.012 118.071 119.070 0.020 0.000 2.551 328 H HA 0.232 4.788 4.556 -0.000 0.000 0.266 328 H C 0.142 175.435 175.328 -0.058 0.000 0.964 328 H CA 0.071 56.106 56.048 -0.022 0.000 1.180 328 H CB -0.093 29.647 29.762 -0.038 0.000 1.408 328 H HN 0.335 nan 8.280 nan 0.000 0.563 329 L N 1.556 122.788 121.223 0.015 0.000 2.397 329 L HA 0.013 4.353 4.340 -0.000 0.000 0.271 329 L C 1.029 177.877 176.870 -0.037 0.000 1.148 329 L CA 0.096 54.893 54.840 -0.072 0.000 0.825 329 L CB 0.880 42.812 42.059 -0.212 0.000 1.117 329 L HN 0.094 nan 8.230 nan 0.000 0.456 330 D N 1.448 121.812 120.400 -0.060 0.000 2.422 330 D HA 0.248 4.888 4.640 -0.000 0.000 0.218 330 D C 0.252 176.538 176.300 -0.022 0.000 1.047 330 D CA 0.472 54.452 54.000 -0.035 0.000 0.885 330 D CB 1.248 42.020 40.800 -0.046 0.000 1.035 330 D HN 0.581 nan 8.370 nan 0.000 0.502 331 A N 0.419 123.206 122.820 -0.055 0.000 2.609 331 A HA 0.585 4.904 4.320 -0.000 0.000 0.291 331 A C -0.694 176.882 177.584 -0.014 0.000 1.096 331 A CA -0.569 51.459 52.037 -0.015 0.000 0.684 331 A CB 1.601 20.596 19.000 -0.008 0.000 1.282 331 A HN -0.021 nan 8.150 nan 0.000 0.412 332 T N -1.355 113.240 114.554 0.070 0.000 2.887 332 T HA 0.756 5.106 4.350 -0.000 0.000 0.288 332 T C -0.562 174.244 174.700 0.176 0.000 1.021 332 T CA -0.546 61.648 62.100 0.157 0.000 1.000 332 T CB 1.686 70.675 68.868 0.202 0.000 1.034 332 T HN 0.591 nan 8.240 nan 0.000 0.467 333 T N 2.254 116.943 114.554 0.224 0.000 2.791 333 T HA 0.512 4.862 4.350 -0.000 0.000 0.288 333 T C -0.484 174.315 174.700 0.165 0.000 0.999 333 T CA -0.521 61.687 62.100 0.181 0.000 0.952 333 T CB 0.964 69.951 68.868 0.199 0.000 0.938 333 T HN 0.620 nan 8.240 nan 0.000 0.444 334 V N 5.945 125.912 119.914 0.087 0.000 2.311 334 V HA 0.372 4.492 4.120 -0.000 0.000 0.275 334 V C -0.001 176.099 176.094 0.010 0.000 1.022 334 V CA -0.719 61.626 62.300 0.076 0.000 0.830 334 V CB 0.781 32.596 31.823 -0.013 0.000 1.012 334 V HN 0.745 nan 8.190 nan 0.000 0.452 335 L N 4.477 125.708 121.223 0.014 0.000 2.265 335 L HA 0.543 4.883 4.340 -0.000 0.000 0.288 335 L C 0.370 177.246 176.870 0.011 0.000 1.058 335 L CA 0.291 55.115 54.840 -0.027 0.000 0.809 335 L CB 1.472 43.499 42.059 -0.052 0.000 1.179 335 L HN 0.669 nan 8.230 nan 0.000 0.429 336 S N 2.920 118.613 115.700 -0.012 0.000 2.532 336 S HA 0.356 4.826 4.470 -0.000 0.000 0.299 336 S C 0.704 175.293 174.600 -0.019 0.000 1.105 336 S CA -0.757 57.440 58.200 -0.005 0.000 1.018 336 S CB 1.874 65.068 63.200 -0.010 0.000 1.021 336 S HN 0.721 nan 8.310 nan 0.000 0.483 337 R N 2.808 123.306 120.500 -0.003 0.000 2.193 337 R HA -0.010 4.330 4.340 -0.000 0.000 0.229 337 R C 2.022 178.312 176.300 -0.016 0.000 1.110 337 R CA 1.653 57.750 56.100 -0.005 0.000 0.988 337 R CB -0.638 29.670 30.300 0.014 0.000 0.871 337 R HN 0.825 nan 8.270 nan 0.000 0.458 338 G N 0.466 109.258 108.800 -0.013 0.000 2.448 338 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.218 338 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.218 338 G C 1.237 176.124 174.900 -0.022 0.000 1.135 338 G CA 0.241 45.335 45.100 -0.011 0.000 0.784 338 G HN 0.138 nan 8.290 nan 0.000 0.543 339 I N 2.134 122.679 120.570 -0.043 0.000 2.333 339 I HA -0.078 4.091 4.170 -0.000 0.000 0.246 339 I C 3.015 179.050 176.117 -0.137 0.000 1.106 339 I CA 1.575 62.835 61.300 -0.066 0.000 1.411 339 I CB -1.177 36.783 38.000 -0.068 0.000 1.082 339 I HN 0.299 nan 8.210 nan 0.000 0.420 340 S N 0.564 116.150 115.700 -0.190 0.000 2.406 340 S HA -0.113 4.357 4.470 -0.000 0.000 0.228 340 S C 1.717 176.227 174.600 -0.149 0.000 1.020 340 S CA 0.707 58.711 58.200 -0.328 0.000 0.965 340 S CB -0.529 62.497 63.200 -0.290 0.000 0.798 340 S HN 0.464 nan 8.310 nan 0.000 0.488 341 E N 1.124 121.288 120.200 -0.060 0.000 2.204 341 E HA 0.034 4.384 4.350 -0.000 0.000 0.195 341 E C 1.518 178.119 176.600 0.002 0.000 0.990 341 E CA 0.865 57.260 56.400 -0.009 0.000 0.821 341 E CB -0.330 29.371 29.700 0.002 0.000 0.750 341 E HN 0.538 nan 8.360 nan 0.000 0.477 342 L N -0.417 120.801 121.223 -0.009 0.000 2.599 342 L HA 0.103 4.443 4.340 -0.000 0.000 0.230 342 L C 1.182 178.077 176.870 0.042 0.000 1.141 342 L CA 0.298 55.148 54.840 0.018 0.000 0.877 342 L CB 0.043 42.119 42.059 0.029 0.000 1.009 342 L HN 0.228 nan 8.230 nan 0.000 0.447 343 G N 0.804 109.617 108.800 0.022 0.000 2.182 343 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.248 343 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.248 343 G C 0.034 175.035 174.900 0.168 0.000 1.042 343 G CA -0.351 44.824 45.100 0.124 0.000 0.775 343 G HN 0.156 nan 8.290 nan 0.000 0.501 344 I N 0.493 121.012 120.570 -0.085 0.000 2.330 344 I HA 0.481 4.651 4.170 -0.000 0.000 0.289 344 I C -0.312 175.611 176.117 -0.324 0.000 1.001 344 I CA -1.231 60.032 61.300 -0.060 0.000 1.193 344 I CB 0.722 38.720 38.000 -0.004 0.000 1.345 344 I HN 0.076 nan 8.210 nan 0.000 0.461 345 Y N 7.128 127.387 120.300 -0.069 0.000 2.350 345 Y HA 0.427 4.976 4.550 -0.000 0.000 0.338 345 Y C -2.090 173.645 175.900 -0.274 0.000 0.961 345 Y CA -2.347 55.667 58.100 -0.143 0.000 1.100 345 Y CB 1.938 40.292 38.460 -0.178 0.000 1.179 345 Y HN 0.404 nan 8.280 nan 0.000 0.454 346 P HA 0.105 nan 4.420 nan 0.000 0.272 346 P C -0.357 176.957 177.300 0.024 0.000 1.230 346 P CA -0.300 62.878 63.100 0.130 0.000 0.788 346 P CB 1.077 33.049 31.700 0.453 0.000 0.949 347 A N 2.230 125.039 122.820 -0.019 0.000 2.728 347 A HA 0.237 4.557 4.320 -0.000 0.000 0.258 347 A C 0.404 177.947 177.584 -0.068 0.000 1.454 347 A CA -0.262 51.700 52.037 -0.125 0.000 1.146 347 A CB -1.193 17.709 19.000 -0.164 0.000 0.985 347 A HN 0.338 nan 8.150 nan 0.000 0.603 348 V N 1.252 121.145 119.914 -0.034 0.000 2.488 348 V HA 0.063 4.183 4.120 -0.000 0.000 0.277 348 V C 0.349 176.434 176.094 -0.016 0.000 1.046 348 V CA -0.613 61.668 62.300 -0.032 0.000 0.986 348 V CB 1.213 33.043 31.823 0.012 0.000 0.989 348 V HN 0.560 nan 8.190 nan 0.000 0.475 349 D N 7.955 128.345 120.400 -0.016 0.000 2.339 349 D HA 0.134 4.774 4.640 -0.000 0.000 0.256 349 D C -1.341 174.958 176.300 -0.001 0.000 1.214 349 D CA -1.602 52.393 54.000 -0.008 0.000 0.877 349 D CB 2.007 42.799 40.800 -0.014 0.000 1.111 349 D HN 0.289 nan 8.370 nan 0.000 0.478 350 P HA -0.044 nan 4.420 nan 0.000 0.225 350 P C 1.441 178.739 177.300 -0.003 0.000 1.156 350 P CA 0.564 63.663 63.100 -0.001 0.000 0.787 350 P CB 0.581 32.281 31.700 0.000 0.000 0.802 351 L N -1.054 120.168 121.223 -0.001 0.000 2.316 351 L HA 0.091 4.431 4.340 -0.000 0.000 0.207 351 L C 2.015 178.878 176.870 -0.013 0.000 1.070 351 L CA 0.820 55.658 54.840 -0.004 0.000 0.820 351 L CB -0.733 41.328 42.059 0.002 0.000 0.992 351 L HN -0.173 nan 8.230 nan 0.000 0.466 352 D N 0.105 120.492 120.400 -0.021 0.000 2.117 352 D HA -0.065 4.575 4.640 -0.000 0.000 0.198 352 D C 0.835 177.113 176.300 -0.036 0.000 0.982 352 D CA 0.672 54.645 54.000 -0.044 0.000 0.828 352 D CB 0.090 40.851 40.800 -0.064 0.000 0.967 352 D HN 0.031 nan 8.370 nan 0.000 0.464 353 S N 0.675 116.370 115.700 -0.008 0.000 2.533 353 S HA 0.205 4.675 4.470 -0.000 0.000 0.282 353 S C 0.160 174.781 174.600 0.035 0.000 1.304 353 S CA 0.148 58.364 58.200 0.027 0.000 1.063 353 S CB 0.763 63.996 63.200 0.056 0.000 0.881 353 S HN 0.061 nan 8.310 nan 0.000 0.493 354 K N 1.291 121.721 120.400 0.050 0.000 2.469 354 K HA 0.551 4.871 4.320 -0.000 0.000 0.254 354 K C -0.953 175.689 176.600 0.070 0.000 0.939 354 K CA -0.513 55.806 56.287 0.052 0.000 0.812 354 K CB 2.094 34.618 32.500 0.040 0.000 1.301 354 K HN 0.497 nan 8.250 nan 0.000 0.433 355 S N 1.251 116.992 115.700 0.069 0.000 2.557 355 S HA 0.296 4.765 4.470 -0.000 0.000 0.291 355 S C 0.541 175.175 174.600 0.057 0.000 1.116 355 S CA -0.703 57.538 58.200 0.068 0.000 0.992 355 S CB 1.188 64.440 63.200 0.086 0.000 1.028 355 S HN 0.672 nan 8.310 nan 0.000 0.484 356 R N 2.819 123.346 120.500 0.045 0.000 2.127 356 R HA 0.003 4.343 4.340 -0.000 0.000 0.238 356 R C 1.216 177.535 176.300 0.031 0.000 1.134 356 R CA 1.270 57.392 56.100 0.036 0.000 0.975 356 R CB -0.334 29.980 30.300 0.024 0.000 0.865 356 R HN 0.655 nan 8.270 nan 0.000 0.447 357 L N 1.037 122.276 121.223 0.027 0.000 2.599 357 L HA 0.014 4.354 4.340 -0.000 0.000 0.230 357 L C 0.576 177.451 176.870 0.009 0.000 1.141 357 L CA -0.184 54.661 54.840 0.009 0.000 0.877 357 L CB -0.087 41.972 42.059 -0.000 0.000 1.009 357 L HN 0.099 nan 8.230 nan 0.000 0.447 358 L N 1.342 122.596 121.223 0.052 0.000 2.382 358 L HA 0.190 4.530 4.340 -0.000 0.000 0.259 358 L C -0.625 176.389 176.870 0.241 0.000 1.291 358 L CA 0.580 55.486 54.840 0.110 0.000 1.176 358 L CB -0.610 41.514 42.059 0.107 0.000 1.373 358 L HN 0.026 nan 8.230 nan 0.000 0.426 359 D N 1.178 121.658 120.400 0.133 0.000 2.859 359 D HA 0.478 5.118 4.640 -0.000 0.000 0.223 359 D C 0.811 177.029 176.300 -0.137 0.000 1.218 359 D CA 0.130 54.100 54.000 -0.049 0.000 0.850 359 D CB 1.975 42.734 40.800 -0.068 0.000 1.656 359 D HN 0.212 nan 8.370 nan 0.000 0.484 360 A N 2.734 125.325 122.820 -0.382 0.000 1.986 360 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 360 A C 2.040 179.559 177.584 -0.109 0.000 1.171 360 A CA 2.336 54.240 52.037 -0.221 0.000 0.640 360 A CB -0.854 17.968 19.000 -0.298 0.000 0.811 360 A HN 0.657 nan 8.150 nan 0.000 0.451 361 A N -1.143 121.608 122.820 -0.115 0.000 2.015 361 A HA 0.149 4.469 4.320 -0.000 0.000 0.219 361 A C 2.073 179.626 177.584 -0.052 0.000 1.163 361 A CA 1.776 53.770 52.037 -0.072 0.000 0.646 361 A CB -0.370 18.589 19.000 -0.069 0.000 0.806 361 A HN 0.419 nan 8.150 nan 0.000 0.448 362 V N -0.800 119.080 119.914 -0.056 0.000 2.690 362 V HA -0.057 4.063 4.120 -0.000 0.000 0.240 362 V C 2.279 178.339 176.094 -0.057 0.000 1.078 362 V CA 1.391 63.661 62.300 -0.050 0.000 1.102 362 V CB 0.123 31.915 31.823 -0.051 0.000 0.800 362 V HN 0.480 nan 8.190 nan 0.000 0.479 363 V N -1.484 118.380 119.914 -0.083 0.000 3.650 363 V HA 0.713 4.833 4.120 -0.000 0.000 0.271 363 V C 0.879 176.975 176.094 0.004 0.000 1.281 363 V CA 0.341 62.565 62.300 -0.127 0.000 1.120 363 V CB -0.714 30.830 31.823 -0.466 0.000 0.856 363 V HN 0.851 nan 8.190 nan 0.000 0.443 364 G N 0.381 109.194 108.800 0.021 0.000 2.662 364 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.686 364 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.686 364 G C -0.145 174.814 174.900 0.098 0.000 1.271 364 G CA 0.270 45.405 45.100 0.058 0.000 0.816 364 G HN 0.442 nan 8.290 nan 0.000 0.608 365 Q N -0.151 119.700 119.800 0.085 0.000 2.046 365 Q HA 0.012 4.352 4.340 -0.000 0.000 0.200 365 Q C 2.489 178.592 176.000 0.172 0.000 0.975 365 Q CA 2.820 58.689 55.803 0.109 0.000 0.836 365 Q CB -0.272 28.507 28.738 0.068 0.000 0.896 365 Q HN 0.776 nan 8.270 nan 0.000 0.428 366 E N -0.608 119.677 120.200 0.141 0.000 2.033 366 E HA -0.274 4.076 4.350 -0.000 0.000 0.199 366 E C 2.010 178.711 176.600 0.169 0.000 1.011 366 E CA 1.276 57.755 56.400 0.133 0.000 0.815 366 E CB -0.488 29.271 29.700 0.099 0.000 0.755 366 E HN 0.485 nan 8.360 nan 0.000 0.451 367 H N 0.267 119.388 119.070 0.085 0.000 2.321 367 H HA -0.232 4.323 4.556 -0.000 0.000 0.295 367 H C 2.027 177.405 175.328 0.083 0.000 1.102 367 H CA 2.116 58.207 56.048 0.072 0.000 1.266 367 H CB -0.539 29.264 29.762 0.068 0.000 1.363 367 H HN 0.262 nan 8.280 nan 0.000 0.492 368 Y N 1.557 121.992 120.300 0.226 0.000 2.145 368 Y HA -0.190 4.360 4.550 -0.000 0.000 0.286 368 Y C 2.347 178.305 175.900 0.097 0.000 1.145 368 Y CA 2.056 60.235 58.100 0.133 0.000 1.148 368 Y CB -0.297 38.199 38.460 0.061 0.000 0.981 368 Y HN 0.188 nan 8.280 nan 0.000 0.507 369 D N -0.598 119.917 120.400 0.191 0.000 2.144 369 D HA -0.175 4.464 4.640 -0.000 0.000 0.199 369 D C 2.380 178.684 176.300 0.007 0.000 0.984 369 D CA 1.607 55.660 54.000 0.089 0.000 0.834 369 D CB -0.377 40.501 40.800 0.131 0.000 0.955 369 D HN 0.314 nan 8.370 nan 0.000 0.465 370 V N 1.480 121.410 119.914 0.025 0.000 2.270 370 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 370 V C 2.588 178.654 176.094 -0.048 0.000 1.043 370 V CA 1.840 64.144 62.300 0.006 0.000 1.014 370 V CB -0.908 30.915 31.823 0.001 0.000 0.645 370 V HN 0.174 nan 8.190 nan 0.000 0.447 371 A N -0.090 122.680 122.820 -0.083 0.000 1.908 371 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 371 A C 2.478 179.964 177.584 -0.163 0.000 1.181 371 A CA 2.470 54.434 52.037 -0.122 0.000 0.627 371 A CB -0.799 18.170 19.000 -0.051 0.000 0.818 371 A HN 0.527 nan 8.150 nan 0.000 0.445 372 S N -0.292 115.249 115.700 -0.264 0.000 2.356 372 S HA -0.152 4.318 4.470 -0.000 0.000 0.223 372 S C 1.951 176.481 174.600 -0.118 0.000 1.032 372 S CA 1.564 59.603 58.200 -0.268 0.000 1.005 372 S CB -0.256 62.691 63.200 -0.420 0.000 0.867 372 S HN 0.613 nan 8.310 nan 0.000 0.449 373 K N 0.714 121.071 120.400 -0.072 0.000 2.063 373 K HA -0.055 4.265 4.320 -0.000 0.000 0.208 373 K C 2.047 178.646 176.600 -0.000 0.000 1.048 373 K CA 1.153 57.430 56.287 -0.016 0.000 0.928 373 K CB -0.408 32.100 32.500 0.012 0.000 0.713 373 K HN 0.159 nan 8.250 nan 0.000 0.442 374 V N 1.676 121.588 119.914 -0.004 0.000 2.343 374 V HA -0.285 3.834 4.120 -0.000 0.000 0.247 374 V C 2.225 178.318 176.094 -0.003 0.000 1.051 374 V CA 1.730 64.040 62.300 0.017 0.000 1.036 374 V CB -0.443 31.374 31.823 -0.011 0.000 0.654 374 V HN 0.375 nan 8.190 nan 0.000 0.451 375 Q N -0.542 119.239 119.800 -0.032 0.000 2.050 375 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 375 Q C 2.394 178.393 176.000 -0.002 0.000 0.980 375 Q CA 1.802 57.591 55.803 -0.024 0.000 0.840 375 Q CB -0.193 28.517 28.738 -0.047 0.000 0.898 375 Q HN 0.681 nan 8.270 nan 0.000 0.424 376 E N -0.060 120.137 120.200 -0.005 0.000 2.077 376 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 376 E C 1.792 178.410 176.600 0.030 0.000 0.989 376 E CA 1.584 57.990 56.400 0.011 0.000 0.800 376 E CB 0.162 29.866 29.700 0.007 0.000 0.746 376 E HN 0.331 nan 8.360 nan 0.000 0.452 377 T N 1.638 116.210 114.554 0.031 0.000 2.607 377 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 377 T C 1.931 176.675 174.700 0.074 0.000 1.049 377 T CA 1.509 63.635 62.100 0.044 0.000 1.162 377 T CB -0.344 68.542 68.868 0.031 0.000 0.863 377 T HN 0.167 nan 8.240 nan 0.000 0.424 378 L N 0.530 121.790 121.223 0.063 0.000 2.201 378 L HA -0.052 4.288 4.340 -0.000 0.000 0.212 378 L C 2.833 179.784 176.870 0.134 0.000 1.105 378 L CA 0.827 55.728 54.840 0.102 0.000 0.775 378 L CB -0.438 41.656 42.059 0.059 0.000 0.913 378 L HN 0.186 nan 8.230 nan 0.000 0.440 379 Q N 0.175 120.023 119.800 0.079 0.000 2.049 379 Q HA -0.147 4.193 4.340 -0.000 0.000 0.198 379 Q C 2.270 178.304 176.000 0.058 0.000 0.971 379 Q CA 2.323 58.160 55.803 0.056 0.000 0.833 379 Q CB -0.307 28.449 28.738 0.029 0.000 0.896 379 Q HN 0.543 nan 8.270 nan 0.000 0.434 380 T N -1.532 113.062 114.554 0.067 0.000 2.833 380 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 380 T C 1.641 176.389 174.700 0.080 0.000 1.054 380 T CA 1.282 63.417 62.100 0.059 0.000 1.135 380 T CB -0.707 68.194 68.868 0.056 0.000 0.869 380 T HN 0.376 nan 8.240 nan 0.000 0.466 381 Y N 2.316 122.616 120.300 -0.001 0.000 2.163 381 Y HA 0.028 4.578 4.550 -0.000 0.000 0.288 381 Y C 2.546 178.444 175.900 -0.003 0.000 1.136 381 Y CA 1.416 59.514 58.100 -0.002 0.000 1.147 381 Y CB -0.267 38.193 38.460 -0.000 0.000 0.987 381 Y HN 0.077 nan 8.280 nan 0.000 0.509 382 K N -0.047 120.354 120.400 0.000 0.000 2.063 382 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 382 K C 2.239 178.769 176.600 -0.117 0.000 1.048 382 K CA 1.883 58.123 56.287 -0.078 0.000 0.928 382 K CB -0.299 32.210 32.500 0.015 0.000 0.713 382 K HN 0.518 nan 8.250 nan 0.000 0.442 383 S N 0.867 116.525 115.700 -0.071 0.000 2.383 383 S HA -0.108 4.362 4.470 -0.000 0.000 0.227 383 S C 1.912 176.458 174.600 -0.090 0.000 1.026 383 S CA 0.878 59.040 58.200 -0.063 0.000 0.981 383 S CB -0.471 62.710 63.200 -0.031 0.000 0.818 383 S HN 0.309 nan 8.310 nan 0.000 0.472 384 L N 1.186 122.339 121.223 -0.117 0.000 2.610 384 L HA 0.082 4.422 4.340 -0.000 0.000 0.232 384 L C 2.695 179.457 176.870 -0.179 0.000 1.149 384 L CA 0.264 55.032 54.840 -0.121 0.000 0.872 384 L CB -0.466 41.541 42.059 -0.087 0.000 0.992 384 L HN 0.308 nan 8.230 nan 0.000 0.447 385 Q N 0.280 119.930 119.800 -0.249 0.000 2.181 385 Q HA -0.204 4.136 4.340 -0.000 0.000 0.205 385 Q C 1.381 177.296 176.000 -0.142 0.000 0.980 385 Q CA 1.411 57.059 55.803 -0.258 0.000 0.862 385 Q CB -0.064 28.520 28.738 -0.257 0.000 0.905 385 Q HN 0.615 nan 8.270 nan 0.000 0.429 386 D N 0.636 120.973 120.400 -0.105 0.000 2.091 386 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 386 D C 2.073 178.339 176.300 -0.056 0.000 0.980 386 D CA 1.127 55.086 54.000 -0.069 0.000 0.831 386 D CB -0.262 40.505 40.800 -0.055 0.000 0.987 386 D HN 0.430 nan 8.370 nan 0.000 0.460 387 I N -1.348 119.188 120.570 -0.056 0.000 2.676 387 I HA -0.112 4.058 4.170 -0.000 0.000 0.259 387 I C 1.935 178.029 176.117 -0.040 0.000 1.194 387 I CA 0.590 61.866 61.300 -0.041 0.000 1.473 387 I CB -0.156 37.824 38.000 -0.034 0.000 1.096 387 I HN -0.176 nan 8.210 nan 0.000 0.443 388 I N 2.402 122.940 120.570 -0.055 0.000 2.286 388 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 388 I C 2.930 179.026 176.117 -0.035 0.000 1.104 388 I CA 1.490 62.763 61.300 -0.045 0.000 1.397 388 I CB -1.520 36.440 38.000 -0.066 0.000 1.072 388 I HN 0.345 nan 8.210 nan 0.000 0.417 389 A N 0.372 123.167 122.820 -0.042 0.000 2.070 389 A HA -0.099 4.221 4.320 -0.000 0.000 0.220 389 A C 2.217 179.787 177.584 -0.022 0.000 1.159 389 A CA 1.537 53.556 52.037 -0.031 0.000 0.656 389 A CB -0.357 18.622 19.000 -0.035 0.000 0.800 389 A HN 0.476 nan 8.150 nan 0.000 0.453 390 I N -2.685 117.871 120.570 -0.022 0.000 4.033 390 I HA 0.128 4.298 4.170 -0.000 0.000 0.296 390 I C 1.764 177.872 176.117 -0.014 0.000 1.210 390 I CA 0.185 61.475 61.300 -0.017 0.000 1.341 390 I CB 0.050 38.040 38.000 -0.017 0.000 1.369 390 I HN 0.081 nan 8.210 nan 0.000 0.453 391 L N 0.822 122.036 121.223 -0.016 0.000 2.375 391 L HA 0.371 4.711 4.340 -0.000 0.000 0.215 391 L C 1.118 177.982 176.870 -0.010 0.000 1.108 391 L CA 0.548 55.381 54.840 -0.012 0.000 0.830 391 L CB -0.392 41.659 42.059 -0.013 0.000 0.959 391 L HN 0.456 nan 8.230 nan 0.000 0.457 392 G N -0.367 108.426 108.800 -0.011 0.000 2.685 392 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.387 392 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.387 392 G C 0.046 174.943 174.900 -0.005 0.000 1.324 392 G CA -0.200 44.896 45.100 -0.007 0.000 0.878 392 G HN -0.019 nan 8.290 nan 0.000 0.527 393 M N 0.092 119.692 119.600 0.001 0.000 2.495 393 M HA 0.111 4.591 4.480 -0.000 0.000 0.237 393 M C 1.399 177.702 176.300 0.006 0.000 1.131 393 M CA 0.750 56.054 55.300 0.006 0.000 1.032 393 M CB -0.103 32.506 32.600 0.015 0.000 1.513 393 M HN 0.517 nan 8.290 nan 0.000 0.488 394 D N 0.934 121.335 120.400 0.003 0.000 2.224 394 D HA -0.079 4.561 4.640 -0.000 0.000 0.205 394 D C 0.663 176.963 176.300 0.001 0.000 0.965 394 D CA 0.958 54.959 54.000 0.002 0.000 0.852 394 D CB 0.113 40.914 40.800 0.001 0.000 0.947 394 D HN 0.174 nan 8.370 nan 0.000 0.494 395 E N 0.702 120.902 120.200 -0.001 0.000 2.232 395 E HA 0.255 4.605 4.350 -0.000 0.000 0.296 395 E C -0.290 176.310 176.600 -0.001 0.000 1.372 395 E CA -0.026 56.373 56.400 -0.002 0.000 1.527 395 E CB 0.105 29.802 29.700 -0.005 0.000 1.424 395 E HN 0.306 nan 8.360 nan 0.000 0.485 396 L N 0.600 121.824 121.223 0.003 0.000 2.472 396 L HA 0.240 4.580 4.340 -0.000 0.000 0.260 396 L C 0.249 177.123 176.870 0.007 0.000 0.963 396 L CA -0.852 53.991 54.840 0.006 0.000 0.829 396 L CB 2.184 44.250 42.059 0.011 0.000 1.348 396 L HN 0.105 nan 8.230 nan 0.000 0.408 397 S N 0.375 116.080 115.700 0.008 0.000 2.603 397 S HA 0.195 4.665 4.470 -0.000 0.000 0.268 397 S C 0.843 175.449 174.600 0.010 0.000 1.317 397 S CA -0.692 57.513 58.200 0.008 0.000 1.012 397 S CB 1.323 64.527 63.200 0.008 0.000 0.926 397 S HN 0.642 nan 8.310 nan 0.000 0.539 398 E N 0.952 121.157 120.200 0.009 0.000 2.086 398 E HA -0.266 4.084 4.350 -0.000 0.000 0.200 398 E C 1.896 178.503 176.600 0.011 0.000 1.012 398 E CA 1.635 58.040 56.400 0.009 0.000 0.812 398 E CB -0.373 29.331 29.700 0.007 0.000 0.743 398 E HN 0.853 nan 8.360 nan 0.000 0.453 399 Q N 0.260 120.067 119.800 0.012 0.000 2.167 399 Q HA -0.144 4.196 4.340 -0.000 0.000 0.202 399 Q C 1.527 177.538 176.000 0.018 0.000 0.970 399 Q CA 1.039 56.851 55.803 0.014 0.000 0.855 399 Q CB 0.196 28.942 28.738 0.014 0.000 0.911 399 Q HN 0.247 nan 8.270 nan 0.000 0.438 400 D N 0.566 120.977 120.400 0.019 0.000 2.120 400 D HA -0.129 4.511 4.640 -0.000 0.000 0.202 400 D C 1.819 178.139 176.300 0.032 0.000 0.972 400 D CA 1.270 55.285 54.000 0.026 0.000 0.837 400 D CB 0.052 40.864 40.800 0.021 0.000 0.989 400 D HN 0.408 nan 8.370 nan 0.000 0.469 401 K N 0.784 121.199 120.400 0.026 0.000 2.209 401 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 401 K C 2.159 178.774 176.600 0.026 0.000 1.048 401 K CA 0.689 56.993 56.287 0.028 0.000 0.940 401 K CB -0.231 32.281 32.500 0.020 0.000 0.729 401 K HN 0.025 nan 8.250 nan 0.000 0.451 402 L N 2.646 123.880 121.223 0.019 0.000 2.044 402 L HA -0.100 4.240 4.340 -0.000 0.000 0.205 402 L C 2.277 179.152 176.870 0.008 0.000 1.075 402 L CA 2.307 57.153 54.840 0.011 0.000 0.747 402 L CB -0.786 41.278 42.059 0.009 0.000 0.903 402 L HN 0.473 nan 8.230 nan 0.000 0.435 403 T N -3.990 110.576 114.554 0.019 0.000 2.867 403 T HA -0.112 4.238 4.350 -0.000 0.000 0.268 403 T C 1.871 176.587 174.700 0.027 0.000 1.057 403 T CA 1.306 63.418 62.100 0.020 0.000 1.136 403 T CB -0.962 67.926 68.868 0.033 0.000 0.874 403 T HN 0.149 nan 8.240 nan 0.000 0.466 404 V N 1.642 121.595 119.914 0.065 0.000 2.453 404 V HA -0.098 4.022 4.120 -0.000 0.000 0.247 404 V C 2.753 178.865 176.094 0.031 0.000 1.048 404 V CA 1.861 64.242 62.300 0.134 0.000 1.049 404 V CB -0.630 31.307 31.823 0.190 0.000 0.672 404 V HN 0.572 nan 8.190 nan 0.000 0.457 405 E N 0.214 120.418 120.200 0.006 0.000 2.051 405 E HA -0.238 4.112 4.350 -0.000 0.000 0.192 405 E C 2.493 179.029 176.600 -0.106 0.000 0.991 405 E CA 1.267 57.645 56.400 -0.036 0.000 0.799 405 E CB -0.049 29.640 29.700 -0.018 0.000 0.748 405 E HN 0.453 nan 8.360 nan 0.000 0.449 406 R N -0.213 120.228 120.500 -0.098 0.000 2.092 406 R HA -0.096 4.244 4.340 -0.000 0.000 0.231 406 R C 2.372 178.555 176.300 -0.195 0.000 1.119 406 R CA 0.947 56.960 56.100 -0.145 0.000 0.970 406 R CB -0.243 30.009 30.300 -0.080 0.000 0.864 406 R HN 0.181 nan 8.270 nan 0.000 0.440 407 A N 1.141 123.848 122.820 -0.188 0.000 1.908 407 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 407 A C 2.078 179.404 177.584 -0.431 0.000 1.181 407 A CA 1.216 53.078 52.037 -0.291 0.000 0.627 407 A CB -0.423 18.367 19.000 -0.351 0.000 0.818 407 A HN 0.229 nan 8.150 nan 0.000 0.445 408 R N -0.359 119.869 120.500 -0.454 0.000 2.105 408 R HA -0.157 4.183 4.340 -0.000 0.000 0.239 408 R C 2.201 178.347 176.300 -0.256 0.000 1.135 408 R CA 1.850 57.740 56.100 -0.350 0.000 0.967 408 R CB -0.249 29.930 30.300 -0.201 0.000 0.861 408 R HN 0.564 nan 8.270 nan 0.000 0.442 409 K N 0.207 120.402 120.400 -0.342 0.000 2.007 409 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 409 K C 2.121 178.456 176.600 -0.441 0.000 1.047 409 K CA 1.152 57.085 56.287 -0.590 0.000 0.937 409 K CB -0.143 31.747 32.500 -1.018 0.000 0.718 409 K HN 0.080 nan 8.250 nan 0.000 0.438 410 I N 1.595 122.001 120.570 -0.272 0.000 2.151 410 I HA -0.365 3.804 4.170 -0.000 0.000 0.243 410 I C 2.864 179.062 176.117 0.134 0.000 1.080 410 I CA 1.429 62.738 61.300 0.015 0.000 1.339 410 I CB -0.295 37.760 38.000 0.091 0.000 1.039 410 I HN 0.295 nan 8.210 nan 0.000 0.409 411 Q N 0.957 120.758 119.800 0.002 0.000 2.077 411 Q HA -0.259 4.081 4.340 -0.000 0.000 0.206 411 Q C 2.397 178.465 176.000 0.113 0.000 0.989 411 Q CA 1.822 57.642 55.803 0.029 0.000 0.853 411 Q CB -0.016 28.678 28.738 -0.074 0.000 0.907 411 Q HN 0.433 nan 8.270 nan 0.000 0.418 412 R N -0.799 119.774 120.500 0.122 0.000 2.115 412 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 412 R C 2.110 178.607 176.300 0.329 0.000 1.100 412 R CA 0.850 57.100 56.100 0.251 0.000 0.980 412 R CB -0.236 30.230 30.300 0.277 0.000 0.875 412 R HN 0.272 nan 8.270 nan 0.000 0.445 413 F N 1.390 121.406 119.950 0.111 0.000 2.451 413 F HA -0.019 4.508 4.527 -0.000 0.000 0.299 413 F C 1.602 177.554 175.800 0.254 0.000 1.101 413 F CA 0.832 58.916 58.000 0.139 0.000 1.436 413 F CB -0.141 38.812 39.000 -0.078 0.000 1.074 413 F HN -0.069 nan 8.300 nan 0.000 0.553 414 L N -0.406 121.012 121.223 0.326 0.000 2.395 414 L HA -0.036 4.304 4.340 -0.000 0.000 0.218 414 L C 1.398 178.315 176.870 0.077 0.000 1.130 414 L CA 0.366 55.310 54.840 0.173 0.000 0.826 414 L CB -0.733 41.399 42.059 0.122 0.000 0.941 414 L HN 0.067 nan 8.230 nan 0.000 0.451 415 S N -0.334 115.410 115.700 0.072 0.000 2.603 415 S HA 0.360 4.830 4.470 -0.000 0.000 0.268 415 S C -0.327 174.230 174.600 -0.071 0.000 1.317 415 S CA -0.516 57.663 58.200 -0.036 0.000 1.012 415 S CB 1.852 64.980 63.200 -0.119 0.000 0.926 415 S HN 0.268 nan 8.310 nan 0.000 0.539 416 Q N 0.689 120.388 119.800 -0.168 0.000 2.378 416 Q HA 0.385 4.725 4.340 -0.000 0.000 0.262 416 Q C -3.104 172.709 176.000 -0.312 0.000 0.978 416 Q CA -1.799 53.910 55.803 -0.158 0.000 0.918 416 Q CB 2.232 30.948 28.738 -0.037 0.000 1.415 416 Q HN 0.553 nan 8.270 nan 0.000 0.409 417 P HA 0.209 nan 4.420 nan 0.000 0.276 417 P C -1.071 176.248 177.300 0.033 0.000 1.230 417 P CA -0.066 62.946 63.100 -0.146 0.000 0.776 417 P CB 0.359 32.021 31.700 -0.064 0.000 0.888 418 F N 1.156 121.100 119.950 -0.010 0.000 2.421 418 F HA 0.403 4.929 4.527 -0.000 0.000 0.337 418 F C 1.681 177.475 175.800 -0.010 0.000 1.105 418 F CA -1.381 56.612 58.000 -0.013 0.000 1.049 418 F CB 0.679 39.675 39.000 -0.007 0.000 1.139 418 F HN 0.389 nan 8.300 nan 0.000 0.479 419 A N 2.543 125.466 122.820 0.172 0.000 1.908 419 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 419 A C 2.157 179.786 177.584 0.076 0.000 1.181 419 A CA 2.273 54.357 52.037 0.079 0.000 0.627 419 A CB -1.109 17.905 19.000 0.023 0.000 0.818 419 A HN 0.711 nan 8.150 nan 0.000 0.445 420 V N -2.942 117.014 119.914 0.070 0.000 2.594 420 V HA 0.044 4.164 4.120 -0.000 0.000 0.253 420 V C 2.132 178.323 176.094 0.163 0.000 1.069 420 V CA 1.788 64.134 62.300 0.077 0.000 1.082 420 V CB -1.169 30.669 31.823 0.025 0.000 0.680 420 V HN 0.562 nan 8.190 nan 0.000 0.469 421 A N -0.329 122.610 122.820 0.199 0.000 2.337 421 A HA 0.208 4.528 4.320 -0.000 0.000 0.227 421 A C 2.023 179.732 177.584 0.208 0.000 1.259 421 A CA 0.578 52.762 52.037 0.246 0.000 0.870 421 A CB -0.484 18.605 19.000 0.149 0.000 0.927 421 A HN 0.664 nan 8.150 nan 0.000 0.497 422 E N 0.276 120.557 120.200 0.135 0.000 2.106 422 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 422 E C 1.861 178.486 176.600 0.041 0.000 0.984 422 E CA 1.668 58.112 56.400 0.072 0.000 0.806 422 E CB -0.131 29.595 29.700 0.043 0.000 0.750 422 E HN 0.536 nan 8.360 nan 0.000 0.458 423 V N -1.378 118.544 119.914 0.014 0.000 2.594 423 V HA -0.179 3.941 4.120 -0.000 0.000 0.253 423 V C 1.844 177.812 176.094 -0.209 0.000 1.069 423 V CA 1.423 63.642 62.300 -0.135 0.000 1.082 423 V CB -0.852 30.818 31.823 -0.255 0.000 0.680 423 V HN 0.162 nan 8.190 nan 0.000 0.469 424 F N 1.893 121.830 119.950 -0.021 0.000 2.473 424 F HA 0.084 4.610 4.527 -0.000 0.000 0.294 424 F C 2.594 178.374 175.800 -0.032 0.000 1.103 424 F CA 1.392 59.375 58.000 -0.027 0.000 1.442 424 F CB -0.262 38.717 39.000 -0.034 0.000 1.097 424 F HN 0.348 nan 8.300 nan 0.000 0.547 425 T N -4.885 109.752 114.554 0.138 0.000 2.999 425 T HA 0.429 4.779 4.350 -0.000 0.000 0.247 425 T C 1.887 176.609 174.700 0.036 0.000 1.012 425 T CA 0.653 62.792 62.100 0.066 0.000 1.048 425 T CB 0.402 69.288 68.868 0.030 0.000 1.020 425 T HN 0.313 nan 8.240 nan 0.000 0.478 426 G N 1.605 110.421 108.800 0.028 0.000 2.225 426 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.254 426 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.254 426 G C -0.023 174.885 174.900 0.012 0.000 0.988 426 G CA 0.076 45.184 45.100 0.012 0.000 0.625 426 G HN 0.650 nan 8.290 nan 0.000 0.527 427 I N 3.924 124.503 120.570 0.016 0.000 2.352 427 I HA 0.334 4.504 4.170 -0.000 0.000 0.290 427 I C -1.483 174.641 176.117 0.012 0.000 1.036 427 I CA -2.227 59.078 61.300 0.009 0.000 1.336 427 I CB 1.128 39.128 38.000 0.000 0.000 1.407 427 I HN -0.081 nan 8.210 nan 0.000 0.497 428 P HA 0.068 nan 4.420 nan 0.000 0.265 428 P C 0.023 177.333 177.300 0.017 0.000 1.193 428 P CA -0.111 62.995 63.100 0.011 0.000 0.765 428 P CB 0.564 32.266 31.700 0.003 0.000 0.823 429 G N 2.989 111.809 108.800 0.033 0.000 2.451 429 G HA2 0.440 4.400 3.960 -0.000 0.000 0.303 429 G HA3 0.440 4.400 3.960 -0.000 0.000 0.303 429 G C -0.575 174.353 174.900 0.047 0.000 1.166 429 G CA -0.515 44.620 45.100 0.058 0.000 0.884 429 G HN 0.306 nan 8.290 nan 0.000 0.514 430 K N 0.664 121.103 120.400 0.066 0.000 2.324 430 K HA 0.379 4.699 4.320 -0.000 0.000 0.253 430 K C -1.274 175.358 176.600 0.053 0.000 0.932 430 K CA -0.693 55.620 56.287 0.043 0.000 0.799 430 K CB 2.782 35.299 32.500 0.029 0.000 1.154 430 K HN 0.373 nan 8.250 nan 0.000 0.425 431 L N 3.202 124.433 121.223 0.013 0.000 2.318 431 L HA 0.315 4.655 4.340 -0.000 0.000 0.277 431 L C -0.976 175.883 176.870 -0.018 0.000 1.008 431 L CA -0.857 53.976 54.840 -0.012 0.000 0.846 431 L CB 1.153 43.183 42.059 -0.048 0.000 1.220 431 L HN 0.233 nan 8.230 nan 0.000 0.423 432 V N 5.045 124.952 119.914 -0.012 0.000 2.509 432 V HA 0.418 4.538 4.120 -0.000 0.000 0.284 432 V C 0.539 176.617 176.094 -0.026 0.000 1.047 432 V CA -0.680 61.611 62.300 -0.014 0.000 0.952 432 V CB 1.309 33.123 31.823 -0.014 0.000 0.988 432 V HN 0.703 nan 8.190 nan 0.000 0.469 433 R N 2.252 122.739 120.500 -0.020 0.000 2.441 433 R HA 0.205 4.545 4.340 -0.000 0.000 0.284 433 R C 1.081 177.376 176.300 -0.008 0.000 1.070 433 R CA -0.596 55.493 56.100 -0.019 0.000 1.047 433 R CB 0.901 31.193 30.300 -0.013 0.000 1.016 433 R HN 0.652 nan 8.270 nan 0.000 0.477 434 L N 3.937 125.162 121.223 0.002 0.000 1.997 434 L HA -0.285 4.055 4.340 -0.000 0.000 0.216 434 L C 1.899 178.774 176.870 0.009 0.000 1.074 434 L CA 2.017 56.867 54.840 0.017 0.000 0.763 434 L CB -0.247 41.849 42.059 0.061 0.000 0.890 434 L HN 0.545 nan 8.230 nan 0.000 0.434 435 K N -0.432 119.982 120.400 0.023 0.000 2.074 435 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 435 K C 1.832 178.444 176.600 0.019 0.000 1.048 435 K CA 1.811 58.112 56.287 0.025 0.000 0.926 435 K CB -0.589 31.929 32.500 0.030 0.000 0.713 435 K HN 0.534 nan 8.250 nan 0.000 0.444 436 D N 0.214 120.626 120.400 0.019 0.000 2.117 436 D HA -0.084 4.556 4.640 -0.000 0.000 0.198 436 D C 1.897 178.222 176.300 0.043 0.000 0.982 436 D CA 1.235 55.254 54.000 0.032 0.000 0.828 436 D CB -0.326 40.489 40.800 0.025 0.000 0.967 436 D HN 0.181 nan 8.370 nan 0.000 0.464 437 T N 1.112 115.673 114.554 0.012 0.000 2.746 437 T HA -0.099 4.251 4.350 -0.000 0.000 0.267 437 T C 2.339 177.058 174.700 0.030 0.000 1.039 437 T CA 0.758 62.865 62.100 0.012 0.000 1.142 437 T CB -0.390 68.432 68.868 -0.076 0.000 0.866 437 T HN -0.032 nan 8.240 nan 0.000 0.444 438 V N 1.830 121.706 119.914 -0.064 0.000 2.255 438 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 438 V C 2.942 179.061 176.094 0.042 0.000 1.051 438 V CA 1.880 64.121 62.300 -0.099 0.000 1.018 438 V CB -1.294 30.436 31.823 -0.155 0.000 0.641 438 V HN 0.552 nan 8.190 nan 0.000 0.445 439 A N -0.542 122.316 122.820 0.063 0.000 1.902 439 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 439 A C 2.476 180.151 177.584 0.151 0.000 1.181 439 A CA 2.269 54.364 52.037 0.097 0.000 0.623 439 A CB -0.753 18.295 19.000 0.079 0.000 0.818 439 A HN 0.513 nan 8.150 nan 0.000 0.443 440 S N -0.792 115.015 115.700 0.178 0.000 2.353 440 S HA -0.143 4.327 4.470 -0.000 0.000 0.222 440 S C 1.617 176.376 174.600 0.266 0.000 1.035 440 S CA 1.703 60.040 58.200 0.228 0.000 1.025 440 S CB -0.550 62.807 63.200 0.261 0.000 0.902 440 S HN 0.543 nan 8.310 nan 0.000 0.440 441 F N 1.704 121.749 119.950 0.158 0.000 2.325 441 F HA 0.060 4.587 4.527 -0.000 0.000 0.299 441 F C 2.268 178.137 175.800 0.115 0.000 1.090 441 F CA 0.840 58.934 58.000 0.156 0.000 1.392 441 F CB -0.211 38.810 39.000 0.036 0.000 1.053 441 F HN 0.094 nan 8.300 nan 0.000 0.521 442 K N 0.471 121.021 120.400 0.250 0.000 2.026 442 K HA -0.185 4.135 4.320 -0.000 0.000 0.208 442 K C 2.247 178.940 176.600 0.154 0.000 1.048 442 K CA 1.315 57.699 56.287 0.162 0.000 0.929 442 K CB -0.283 32.287 32.500 0.117 0.000 0.713 442 K HN 0.214 nan 8.250 nan 0.000 0.439 443 A N 0.506 123.435 122.820 0.182 0.000 1.969 443 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 443 A C 2.170 179.889 177.584 0.226 0.000 1.169 443 A CA 1.333 53.491 52.037 0.201 0.000 0.635 443 A CB -0.395 18.783 19.000 0.296 0.000 0.810 443 A HN 0.171 nan 8.150 nan 0.000 0.445 444 V N 0.137 120.187 119.914 0.227 0.000 2.270 444 V HA -0.252 3.868 4.120 -0.000 0.000 0.245 444 V C 2.511 178.668 176.094 0.105 0.000 1.043 444 V CA 1.908 64.313 62.300 0.175 0.000 1.014 444 V CB -0.892 30.963 31.823 0.054 0.000 0.645 444 V HN 0.576 nan 8.190 nan 0.000 0.447 445 L N -0.138 121.150 121.223 0.109 0.000 2.129 445 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 445 L C 2.504 179.410 176.870 0.060 0.000 1.087 445 L CA 1.725 56.614 54.840 0.082 0.000 0.757 445 L CB -0.593 41.525 42.059 0.098 0.000 0.896 445 L HN 0.446 nan 8.230 nan 0.000 0.434 446 E N -0.593 119.645 120.200 0.063 0.000 2.285 446 E HA 0.007 4.357 4.350 -0.000 0.000 0.194 446 E C 1.226 177.840 176.600 0.022 0.000 0.997 446 E CA 0.565 56.989 56.400 0.040 0.000 0.845 446 E CB 0.155 29.878 29.700 0.038 0.000 0.782 446 E HN 0.532 nan 8.360 nan 0.000 0.491 447 G N 1.542 110.358 108.800 0.027 0.000 2.173 447 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.174 447 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.174 447 G C 0.453 175.335 174.900 -0.030 0.000 1.025 447 G CA -0.002 45.104 45.100 0.009 0.000 0.706 447 G HN 0.126 nan 8.290 nan 0.000 0.499 448 K N -0.724 119.641 120.400 -0.059 0.000 2.404 448 K HA 0.321 4.641 4.320 -0.000 0.000 0.194 448 K C 0.097 176.384 176.600 -0.523 0.000 1.023 448 K CA 0.317 56.441 56.287 -0.272 0.000 1.094 448 K CB 0.256 32.553 32.500 -0.338 0.000 0.841 448 K HN 0.491 nan 8.250 nan 0.000 0.523 449 Y N -0.541 119.775 120.300 0.028 0.000 2.720 449 Y HA 0.120 4.670 4.550 -0.000 0.000 0.264 449 Y C 0.100 176.052 175.900 0.086 0.000 0.989 449 Y CA -0.724 57.410 58.100 0.057 0.000 1.100 449 Y CB 0.529 39.046 38.460 0.095 0.000 1.196 449 Y HN -0.037 nan 8.280 nan 0.000 0.631 450 D N 0.103 120.569 120.400 0.110 0.000 2.194 450 D HA -0.120 4.520 4.640 -0.000 0.000 0.204 450 D C 1.761 178.105 176.300 0.072 0.000 0.964 450 D CA 1.160 55.202 54.000 0.071 0.000 0.846 450 D CB 0.008 40.822 40.800 0.023 0.000 0.962 450 D HN 0.439 nan 8.370 nan 0.000 0.490 451 N N 0.863 119.599 118.700 0.061 0.000 2.550 451 N HA -0.109 4.630 4.740 -0.000 0.000 0.186 451 N C 0.335 175.889 175.510 0.073 0.000 1.110 451 N CA 0.272 53.351 53.050 0.049 0.000 0.912 451 N CB -0.017 38.481 38.487 0.020 0.000 0.968 451 N HN 0.106 nan 8.380 nan 0.000 0.448 452 I N 3.000 123.648 120.570 0.129 0.000 2.371 452 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 452 I C -1.914 174.309 176.117 0.177 0.000 1.028 452 I CA -2.375 59.001 61.300 0.126 0.000 1.345 452 I CB 0.537 38.600 38.000 0.106 0.000 1.407 452 I HN -0.054 nan 8.210 nan 0.000 0.501 453 P HA 0.075 nan 4.420 nan 0.000 0.268 453 P C 0.390 177.819 177.300 0.215 0.000 1.208 453 P CA -0.088 63.086 63.100 0.123 0.000 0.777 453 P CB 0.986 32.734 31.700 0.080 0.000 0.875 454 E N 0.100 120.412 120.200 0.186 0.000 2.204 454 E HA -0.219 4.131 4.350 -0.000 0.000 0.194 454 E C 1.509 178.284 176.600 0.292 0.000 0.989 454 E CA 0.963 57.493 56.400 0.216 0.000 0.824 454 E CB -0.339 29.412 29.700 0.084 0.000 0.756 454 E HN 0.570 nan 8.360 nan 0.000 0.477 455 H N -0.077 119.056 119.070 0.105 0.000 2.547 455 H HA 0.166 4.722 4.556 -0.000 0.000 0.272 455 H C 1.624 177.010 175.328 0.095 0.000 0.989 455 H CA 0.848 56.946 56.048 0.083 0.000 1.214 455 H CB 0.113 29.887 29.762 0.018 0.000 1.389 455 H HN 0.137 nan 8.280 nan 0.000 0.577 456 A N -0.680 122.129 122.820 -0.019 0.000 2.119 456 A HA -0.029 4.291 4.320 -0.000 0.000 0.217 456 A C 1.425 178.785 177.584 -0.374 0.000 1.153 456 A CA 0.711 52.600 52.037 -0.247 0.000 0.692 456 A CB -0.740 18.055 19.000 -0.342 0.000 0.799 456 A HN 0.392 nan 8.150 nan 0.000 0.458 457 F N -2.533 117.320 119.950 -0.163 0.000 2.743 457 F HA 0.187 4.714 4.527 -0.000 0.000 0.297 457 F C 0.726 176.549 175.800 0.039 0.000 1.131 457 F CA -0.135 57.745 58.000 -0.199 0.000 1.426 457 F CB -0.127 38.725 39.000 -0.247 0.000 1.116 457 F HN 0.275 nan 8.300 nan 0.000 0.583 458 Y N 1.589 121.917 120.300 0.047 0.000 2.359 458 Y HA 0.298 4.847 4.550 -0.000 0.000 0.334 458 Y C 0.582 176.476 175.900 -0.011 0.000 1.058 458 Y CA -1.448 56.679 58.100 0.045 0.000 1.244 458 Y CB 0.263 38.750 38.460 0.046 0.000 1.187 458 Y HN 0.006 nan 8.280 nan 0.000 0.510 459 M N 6.020 125.368 119.600 -0.420 0.000 2.573 459 M HA -0.161 4.319 4.480 -0.000 0.000 0.184 459 M C -1.284 174.941 176.300 -0.125 0.000 0.953 459 M CA 0.920 56.018 55.300 -0.338 0.000 0.592 459 M CB -2.624 29.721 32.600 -0.425 0.000 1.151 459 M HN 0.434 nan 8.290 nan 0.000 0.850 460 V N -2.851 117.046 119.914 -0.028 0.000 3.167 460 V HA 1.079 5.199 4.120 -0.000 0.000 0.310 460 V C 0.646 176.777 176.094 0.062 0.000 1.207 460 V CA -0.224 62.086 62.300 0.016 0.000 1.059 460 V CB 1.591 33.423 31.823 0.015 0.000 1.079 460 V HN 0.455 nan 8.190 nan 0.000 0.446 461 G N 0.065 108.897 108.800 0.052 0.000 3.348 461 G HA2 0.559 4.519 3.960 -0.000 0.000 0.180 461 G HA3 0.559 4.519 3.960 -0.000 0.000 0.180 461 G C 0.592 175.543 174.900 0.085 0.000 1.915 461 G CA 0.012 45.141 45.100 0.048 0.000 0.937 461 G HN 1.375 nan 8.290 nan 0.000 0.564 462 G N -0.831 108.007 108.800 0.062 0.000 2.525 462 G HA2 0.290 4.250 3.960 -0.000 0.000 0.276 462 G HA3 0.290 4.250 3.960 -0.000 0.000 0.276 462 G C 0.864 175.849 174.900 0.142 0.000 1.388 462 G CA 0.136 45.287 45.100 0.084 0.000 1.050 462 G HN 0.398 nan 8.290 nan 0.000 0.520 463 I N -0.754 119.878 120.570 0.103 0.000 2.546 463 I HA 0.019 4.189 4.170 -0.000 0.000 0.255 463 I C 2.424 178.460 176.117 -0.134 0.000 1.163 463 I CA 1.211 62.496 61.300 -0.025 0.000 1.457 463 I CB -0.288 37.687 38.000 -0.041 0.000 1.092 463 I HN 0.658 nan 8.210 nan 0.000 0.434 464 E N 0.146 120.314 120.200 -0.054 0.000 2.268 464 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 464 E C 1.312 177.862 176.600 -0.083 0.000 0.995 464 E CA 1.190 57.556 56.400 -0.058 0.000 0.836 464 E CB -0.063 29.624 29.700 -0.021 0.000 0.763 464 E HN 0.523 nan 8.360 nan 0.000 0.491 465 D N -0.411 119.943 120.400 -0.077 0.000 2.234 465 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 465 D C 1.810 178.006 176.300 -0.173 0.000 0.962 465 D CA 0.460 54.408 54.000 -0.088 0.000 0.855 465 D CB 0.167 40.945 40.800 -0.037 0.000 0.951 465 D HN 0.015 nan 8.370 nan 0.000 0.500 466 V N 0.188 119.931 119.914 -0.284 0.000 2.283 466 V HA -0.168 3.952 4.120 -0.000 0.000 0.243 466 V C 2.529 178.378 176.094 -0.409 0.000 1.039 466 V CA 0.916 62.907 62.300 -0.515 0.000 1.016 466 V CB -0.608 30.661 31.823 -0.923 0.000 0.650 466 V HN 0.066 nan 8.190 nan 0.000 0.449 467 V N 0.711 120.439 119.914 -0.311 0.000 2.332 467 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 467 V C 2.774 178.794 176.094 -0.123 0.000 1.055 467 V CA 2.122 64.321 62.300 -0.168 0.000 1.038 467 V CB -1.266 30.515 31.823 -0.070 0.000 0.651 467 V HN 0.549 nan 8.190 nan 0.000 0.450 468 A N -0.408 122.342 122.820 -0.116 0.000 1.877 468 A HA -0.261 4.059 4.320 -0.000 0.000 0.216 468 A C 2.373 179.904 177.584 -0.087 0.000 1.186 468 A CA 2.203 54.191 52.037 -0.082 0.000 0.620 468 A CB -0.451 18.509 19.000 -0.068 0.000 0.822 468 A HN 0.509 nan 8.150 nan 0.000 0.443 469 K N -0.578 119.750 120.400 -0.120 0.000 2.155 469 K HA 0.056 4.375 4.320 -0.000 0.000 0.203 469 K C 2.108 178.643 176.600 -0.107 0.000 1.052 469 K CA 0.889 57.108 56.287 -0.113 0.000 0.948 469 K CB -0.247 32.166 32.500 -0.145 0.000 0.728 469 K HN 0.367 nan 8.250 nan 0.000 0.448 470 A N 1.367 124.103 122.820 -0.141 0.000 1.972 470 A HA -0.176 4.144 4.320 -0.000 0.000 0.219 470 A C 1.689 179.237 177.584 -0.060 0.000 1.169 470 A CA 1.512 53.483 52.037 -0.110 0.000 0.635 470 A CB -0.324 18.590 19.000 -0.143 0.000 0.810 470 A HN 0.425 nan 8.150 nan 0.000 0.446 471 E N -0.526 119.640 120.200 -0.056 0.000 2.158 471 E HA -0.108 4.242 4.350 -0.000 0.000 0.191 471 E C 1.941 178.525 176.600 -0.025 0.000 0.982 471 E CA 0.873 57.252 56.400 -0.034 0.000 0.823 471 E CB -0.065 29.616 29.700 -0.031 0.000 0.766 471 E HN 0.560 nan 8.360 nan 0.000 0.468 472 K N 0.540 120.922 120.400 -0.030 0.000 2.103 472 K HA -0.011 4.308 4.320 -0.000 0.000 0.204 472 K C 1.994 178.589 176.600 -0.008 0.000 1.052 472 K CA 0.643 56.919 56.287 -0.019 0.000 0.945 472 K CB 0.104 32.591 32.500 -0.022 0.000 0.722 472 K HN 0.094 nan 8.250 nan 0.000 0.443 473 L N -0.099 121.118 121.223 -0.009 0.000 2.395 473 L HA -0.027 4.313 4.340 -0.000 0.000 0.218 473 L C 2.166 179.041 176.870 0.009 0.000 1.130 473 L CA 0.355 55.201 54.840 0.010 0.000 0.826 473 L CB -0.143 41.929 42.059 0.022 0.000 0.941 473 L HN 0.160 nan 8.230 nan 0.000 0.451 474 A N -0.122 122.697 122.820 -0.001 0.000 1.956 474 A HA 0.402 4.722 4.320 -0.000 0.000 0.212 474 A C 1.404 178.988 177.584 0.000 0.000 1.188 474 A CA 0.685 52.722 52.037 0.000 0.000 0.675 474 A CB -0.103 18.895 19.000 -0.004 0.000 0.845 474 A HN 0.272 nan 8.150 nan 0.000 0.455 475 A N 0.000 122.819 122.820 -0.002 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.036 52.037 -0.002 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