REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3oeh_1_V DATA FIRST_RESID 6 DATA SEQUENCE STPITGKVTA VIGAIVDVHF EQSELPAILN ALEIKTPQGK LVLEVAQHLG DATA SEQUENCE ENTVRTIAMD GTEGLVRGEK VLDTGGPISV PVGRETLGRI INVIGEPIDE DATA SEQUENCE RGPIKSKLRK PIHADPPSFA EQSTSAEILE TGIKVVDLLA PYARGGKIGL DATA SEQUENCE FGGAGVGKTV FIQELINNIA KAHGGFSVFT GVGERTREGN DLYREMKETG DATA SEQUENCE VINLEGESKV ALVFGQMNEP PGARARVALT GLTIAEYFRD EEGQDVLLFI DATA SEQUENCE DNIFRFTQAG SEVSALLGRI PSAFGYQPTL ATDMGLLQER ITTTKKGSVT DATA SEQUENCE SVQAVYVPAD DLTDPAPATT FAHLDATTVL SRGISELGIY PAVDPLDSKS DATA SEQUENCE RLLDAAVVGQ EHYDVASKVQ ETLQTYKSLQ DIIAILGMDE LSEQDKLTVE DATA SEQUENCE RARKIQRFLS QPFAVAEVFT GIPGKLVRLK DTVASFKAVL EGKYDNIPEH DATA SEQUENCE AFYMVGGIED VVAKAEKLAA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.610 174.600 0.017 0.000 1.055 6 S CA 0.000 58.210 58.200 0.016 0.000 1.107 6 S CB 0.000 63.208 63.200 0.013 0.000 0.593 7 T N 2.961 117.524 114.554 0.016 0.000 2.726 7 T HA 0.561 4.911 4.350 0.000 0.000 0.294 7 T C -2.552 172.159 174.700 0.019 0.000 1.013 7 T CA -0.886 61.222 62.100 0.014 0.000 0.996 7 T CB -0.422 68.452 68.868 0.010 0.000 1.016 7 T HN 0.446 nan 8.240 nan 0.000 0.529 8 P HA 0.265 nan 4.420 nan 0.000 0.267 8 P C -0.643 176.673 177.300 0.027 0.000 1.205 8 P CA -0.191 62.922 63.100 0.021 0.000 0.765 8 P CB 0.090 31.797 31.700 0.012 0.000 0.828 9 I N 2.536 123.137 120.570 0.052 0.000 2.371 9 I HA 0.213 4.383 4.170 0.000 0.000 0.290 9 I C 0.772 176.934 176.117 0.074 0.000 1.028 9 I CA 0.300 61.652 61.300 0.088 0.000 1.345 9 I CB 0.616 38.701 38.000 0.142 0.000 1.407 9 I HN 0.236 nan 8.210 nan 0.000 0.501 10 T N 4.140 118.677 114.554 -0.028 0.000 2.876 10 T HA 0.735 5.085 4.350 0.000 0.000 0.289 10 T C 0.006 174.304 174.700 -0.670 0.000 1.014 10 T CA -0.709 61.276 62.100 -0.191 0.000 0.986 10 T CB 1.995 70.781 68.868 -0.136 0.000 1.021 10 T HN 0.836 nan 8.240 nan 0.000 0.458 11 G N 1.312 109.653 108.800 -0.766 0.000 2.733 11 G HA2 0.762 4.722 3.960 0.000 0.000 0.288 11 G HA3 0.762 4.722 3.960 0.000 0.000 0.288 11 G C -1.756 172.925 174.900 -0.365 0.000 1.373 11 G CA -0.871 43.591 45.100 -1.064 0.000 0.895 11 G HN 0.567 nan 8.290 nan 0.000 0.479 12 K N -0.160 120.114 120.400 -0.210 0.000 2.371 12 K HA 0.528 4.848 4.320 0.000 0.000 0.251 12 K C -0.707 175.896 176.600 0.004 0.000 0.934 12 K CA -0.775 55.467 56.287 -0.075 0.000 0.798 12 K CB 3.027 35.486 32.500 -0.069 0.000 1.204 12 K HN 0.252 nan 8.250 nan 0.000 0.427 13 V N 2.689 122.609 119.914 0.009 0.000 2.540 13 V HA -0.047 4.073 4.120 0.000 0.000 0.297 13 V C 0.684 176.795 176.094 0.029 0.000 1.024 13 V CA 0.851 63.168 62.300 0.029 0.000 1.105 13 V CB 0.886 32.720 31.823 0.018 0.000 0.938 13 V HN 0.949 nan 8.190 nan 0.000 0.482 14 T N 2.733 117.315 114.554 0.048 0.000 2.978 14 T HA 0.462 4.812 4.350 0.000 0.000 0.248 14 T C 0.369 175.087 174.700 0.029 0.000 1.018 14 T CA 0.700 62.825 62.100 0.040 0.000 1.026 14 T CB 0.708 69.622 68.868 0.076 0.000 1.032 14 T HN 0.828 nan 8.240 nan 0.000 0.485 15 A N 1.468 124.307 122.820 0.032 0.000 2.520 15 A HA 0.733 5.053 4.320 0.000 0.000 0.298 15 A C -1.320 176.276 177.584 0.020 0.000 1.051 15 A CA -0.802 51.249 52.037 0.023 0.000 0.690 15 A CB 1.512 20.526 19.000 0.024 0.000 1.281 15 A HN 0.441 nan 8.150 nan 0.000 0.402 16 V N -0.484 119.438 119.914 0.014 0.000 2.623 16 V HA 0.828 4.948 4.120 0.000 0.000 0.304 16 V C -0.867 175.231 176.094 0.008 0.000 1.054 16 V CA -0.476 61.830 62.300 0.011 0.000 0.882 16 V CB 1.251 33.080 31.823 0.010 0.000 1.002 16 V HN 0.715 nan 8.190 nan 0.000 0.424 17 I N 5.106 125.680 120.570 0.006 0.000 2.714 17 I HA 0.627 4.797 4.170 0.000 0.000 0.276 17 I C 1.194 177.312 176.117 0.002 0.000 1.196 17 I CA 0.279 61.581 61.300 0.004 0.000 1.068 17 I CB 1.124 39.126 38.000 0.004 0.000 1.291 17 I HN 1.099 nan 8.210 nan 0.000 0.530 18 G N 4.454 113.255 108.800 0.001 0.000 4.236 18 G HA2 -0.404 3.556 3.960 0.000 0.000 0.222 18 G HA3 -0.404 3.556 3.960 0.000 0.000 0.222 18 G C 0.785 175.685 174.900 0.000 0.000 1.354 18 G CA 0.761 45.860 45.100 -0.000 0.000 0.966 18 G HN 0.882 nan 8.290 nan 0.000 0.624 19 A N -1.411 121.409 122.820 -0.000 0.000 2.733 19 A HA 0.621 4.941 4.320 0.000 0.000 0.232 19 A C 0.194 177.779 177.584 0.002 0.000 1.251 19 A CA 0.373 52.410 52.037 0.000 0.000 1.015 19 A CB 0.682 19.679 19.000 -0.004 0.000 1.291 19 A HN 0.602 nan 8.150 nan 0.000 0.595 20 I N 2.469 123.040 120.570 0.002 0.000 2.310 20 I HA 0.312 4.482 4.170 0.000 0.000 0.287 20 I C -0.456 175.667 176.117 0.009 0.000 1.073 20 I CA -0.458 60.844 61.300 0.004 0.000 1.216 20 I CB 0.688 38.688 38.000 0.001 0.000 1.415 20 I HN -0.046 nan 8.210 nan 0.000 0.480 21 V N 5.860 125.781 119.914 0.013 0.000 2.472 21 V HA 0.343 4.463 4.120 0.000 0.000 0.290 21 V C -0.258 175.851 176.094 0.025 0.000 1.037 21 V CA -0.725 61.587 62.300 0.020 0.000 0.908 21 V CB 1.972 33.809 31.823 0.024 0.000 0.985 21 V HN 0.512 nan 8.190 nan 0.000 0.454 22 D N 3.032 123.452 120.400 0.034 0.000 2.349 22 D HA 0.515 5.155 4.640 0.000 0.000 0.232 22 D C -0.579 175.765 176.300 0.074 0.000 1.071 22 D CA -0.038 53.989 54.000 0.046 0.000 0.832 22 D CB 1.830 42.658 40.800 0.047 0.000 1.086 22 D HN 0.299 nan 8.370 nan 0.000 0.504 23 V N 3.244 123.217 119.914 0.098 0.000 2.398 23 V HA 0.202 4.322 4.120 0.000 0.000 0.286 23 V C 0.071 176.308 176.094 0.237 0.000 1.026 23 V CA -0.801 61.599 62.300 0.168 0.000 0.868 23 V CB 1.410 33.379 31.823 0.243 0.000 0.982 23 V HN 0.584 nan 8.190 nan 0.000 0.443 24 H N 3.925 123.067 119.070 0.120 0.000 2.487 24 H HA 0.544 5.100 4.556 0.000 0.000 0.333 24 H C -1.553 173.850 175.328 0.124 0.000 1.114 24 H CA -0.139 55.982 56.048 0.121 0.000 1.310 24 H CB 1.271 31.055 29.762 0.036 0.000 1.462 24 H HN 0.490 nan 8.280 nan 0.000 0.516 25 F N 1.518 121.308 119.950 -0.266 0.000 2.631 25 F HA 0.248 4.775 4.527 0.000 0.000 0.328 25 F C 0.329 176.092 175.800 -0.062 0.000 1.067 25 F CA -0.765 57.172 58.000 -0.105 0.000 0.969 25 F CB 1.519 40.434 39.000 -0.141 0.000 1.332 25 F HN 0.472 nan 8.300 nan 0.000 0.490 26 E N -0.067 120.222 120.200 0.148 0.000 2.239 26 E HA 0.171 4.521 4.350 0.000 0.000 0.261 26 E C -0.999 175.666 176.600 0.108 0.000 1.016 26 E CA -1.064 55.401 56.400 0.108 0.000 0.882 26 E CB 0.931 30.665 29.700 0.056 0.000 1.190 26 E HN 0.446 nan 8.360 nan 0.000 0.415 27 Q N 1.451 121.296 119.800 0.076 0.000 4.078 27 Q HA -0.207 4.133 4.340 0.000 0.000 0.380 27 Q C -0.579 175.458 176.000 0.061 0.000 1.164 27 Q CA 0.854 56.692 55.803 0.058 0.000 1.246 27 Q CB -1.102 27.663 28.738 0.046 0.000 1.084 27 Q HN 0.658 nan 8.270 nan 0.000 0.492 28 S N 2.399 118.130 115.700 0.051 0.000 3.244 28 S HA -0.293 4.177 4.470 0.000 0.000 0.291 28 S C 0.403 175.036 174.600 0.054 0.000 0.833 28 S CA 1.305 59.530 58.200 0.042 0.000 1.348 28 S CB -0.614 62.604 63.200 0.030 0.000 0.910 28 S HN 0.859 nan 8.310 nan 0.000 0.461 29 E N 0.102 120.353 120.200 0.085 0.000 2.714 29 E HA 0.288 4.638 4.350 0.000 0.000 0.219 29 E C -0.099 176.528 176.600 0.044 0.000 0.979 29 E CA -0.440 56.036 56.400 0.127 0.000 1.092 29 E CB 0.293 30.131 29.700 0.230 0.000 1.049 29 E HN 0.793 nan 8.360 nan 0.000 0.487 30 L N 2.858 124.003 121.223 -0.130 0.000 2.453 30 L HA 0.198 4.538 4.340 0.000 0.000 0.272 30 L C -2.002 174.674 176.870 -0.323 0.000 1.182 30 L CA -1.432 53.121 54.840 -0.479 0.000 0.858 30 L CB -0.174 41.651 42.059 -0.390 0.000 1.120 30 L HN 0.006 nan 8.230 nan 0.000 0.474 31 P HA 0.269 nan 4.420 nan 0.000 0.276 31 P C -0.700 176.561 177.300 -0.066 0.000 1.244 31 P CA -0.643 62.334 63.100 -0.205 0.000 0.801 31 P CB 0.775 32.347 31.700 -0.214 0.000 1.006 32 A N 2.003 124.823 122.820 0.001 0.000 2.466 32 A HA 0.181 4.501 4.320 0.000 0.000 0.238 32 A C 0.365 177.977 177.584 0.048 0.000 1.074 32 A CA -0.257 51.807 52.037 0.045 0.000 0.774 32 A CB -0.679 18.321 19.000 0.000 0.000 1.015 32 A HN 0.529 nan 8.150 nan 0.000 0.498 33 I N 1.228 121.828 120.570 0.051 0.000 2.517 33 I HA 0.117 4.287 4.170 0.000 0.000 0.285 33 I C 0.291 176.366 176.117 -0.070 0.000 1.106 33 I CA 0.624 61.928 61.300 0.006 0.000 1.402 33 I CB 0.095 38.091 38.000 -0.006 0.000 1.399 33 I HN 0.690 nan 8.210 nan 0.000 0.535 34 L N 3.427 124.591 121.223 -0.098 0.000 4.461 34 L HA -0.202 4.138 4.340 0.000 0.000 0.399 34 L C -0.154 176.671 176.870 -0.075 0.000 0.913 34 L CA -0.156 54.568 54.840 -0.193 0.000 1.652 34 L CB -1.667 40.134 42.059 -0.429 0.000 1.831 34 L HN 0.654 nan 8.230 nan 0.000 0.559 35 N N 1.289 119.973 118.700 -0.026 0.000 2.514 35 N HA 0.580 5.320 4.740 0.000 0.000 0.277 35 N C 0.340 175.867 175.510 0.028 0.000 1.126 35 N CA 0.746 53.802 53.050 0.010 0.000 0.978 35 N CB 1.199 39.683 38.487 -0.005 0.000 1.106 35 N HN 0.289 nan 8.380 nan 0.000 0.461 36 A N 2.730 125.581 122.820 0.050 0.000 2.440 36 A HA 0.485 4.805 4.320 0.000 0.000 0.251 36 A C -0.160 177.449 177.584 0.042 0.000 1.089 36 A CA -0.108 51.959 52.037 0.050 0.000 0.779 36 A CB -0.006 19.026 19.000 0.053 0.000 1.022 36 A HN 0.654 nan 8.150 nan 0.000 0.492 37 L N 1.062 122.311 121.223 0.043 0.000 2.256 37 L HA 0.715 5.055 4.340 0.000 0.000 0.261 37 L C 0.089 176.986 176.870 0.045 0.000 1.022 37 L CA -0.647 54.224 54.840 0.052 0.000 0.828 37 L CB 1.910 44.008 42.059 0.065 0.000 1.374 37 L HN 0.765 nan 8.230 nan 0.000 0.436 38 E N 0.602 120.829 120.200 0.045 0.000 2.383 38 E HA 0.679 5.029 4.350 0.000 0.000 0.275 38 E C -1.634 174.983 176.600 0.028 0.000 0.918 38 E CA -0.626 55.794 56.400 0.033 0.000 0.764 38 E CB 3.503 33.219 29.700 0.027 0.000 1.252 38 E HN 0.352 nan 8.360 nan 0.000 0.449 39 I N 1.570 122.153 120.570 0.020 0.000 2.656 39 I HA 0.239 4.409 4.170 0.000 0.000 0.292 39 I C -0.629 175.494 176.117 0.010 0.000 1.144 39 I CA -0.748 60.560 61.300 0.014 0.000 1.038 39 I CB 2.221 40.229 38.000 0.014 0.000 1.244 39 I HN 0.193 nan 8.210 nan 0.000 0.420 40 K N 4.254 124.658 120.400 0.006 0.000 2.298 40 K HA 0.493 4.813 4.320 0.000 0.000 0.280 40 K C -0.663 175.939 176.600 0.003 0.000 1.032 40 K CA 0.026 56.316 56.287 0.004 0.000 0.958 40 K CB 0.965 33.466 32.500 0.002 0.000 0.978 40 K HN 0.775 nan 8.250 nan 0.000 0.472 41 T N 1.084 115.640 114.554 0.004 0.000 2.901 41 T HA 0.328 4.678 4.350 0.000 0.000 0.293 41 T C -1.918 172.783 174.700 0.002 0.000 1.084 41 T CA -1.636 60.466 62.100 0.003 0.000 1.008 41 T CB 1.378 70.248 68.868 0.004 0.000 1.170 41 T HN 0.342 nan 8.240 nan 0.000 0.509 42 P HA -0.129 nan 4.420 nan 0.000 0.216 42 P C 1.300 178.601 177.300 0.002 0.000 1.154 42 P CA 1.371 64.472 63.100 0.001 0.000 0.865 42 P CB 0.242 31.942 31.700 0.001 0.000 0.789 43 Q N -1.802 117.999 119.800 0.002 0.000 2.240 43 Q HA 0.251 4.591 4.340 0.000 0.000 0.194 43 Q C 1.599 177.601 176.000 0.003 0.000 0.982 43 Q CA 1.052 56.857 55.803 0.003 0.000 0.842 43 Q CB -0.427 28.312 28.738 0.003 0.000 0.941 43 Q HN 0.189 nan 8.270 nan 0.000 0.516 44 G N 0.549 109.351 108.800 0.004 0.000 3.341 44 G HA2 0.444 4.404 3.960 0.000 0.000 0.177 44 G HA3 0.444 4.404 3.960 0.000 0.000 0.177 44 G C -1.162 173.741 174.900 0.006 0.000 1.236 44 G CA -0.457 44.645 45.100 0.005 0.000 0.888 44 G HN 0.182 nan 8.290 nan 0.000 0.644 45 K N -1.043 119.362 120.400 0.007 0.000 2.464 45 K HA 0.696 5.016 4.320 0.000 0.000 0.253 45 K C -1.696 174.911 176.600 0.011 0.000 0.933 45 K CA -0.831 55.461 56.287 0.009 0.000 0.801 45 K CB 2.461 34.966 32.500 0.009 0.000 1.271 45 K HN 0.446 nan 8.250 nan 0.000 0.430 46 L N 2.827 124.057 121.223 0.012 0.000 2.282 46 L HA 0.469 4.809 4.340 0.000 0.000 0.288 46 L C -1.111 175.770 176.870 0.019 0.000 1.033 46 L CA -0.491 54.357 54.840 0.015 0.000 0.807 46 L CB 1.618 43.686 42.059 0.014 0.000 1.209 46 L HN 0.593 nan 8.230 nan 0.000 0.423 47 V N 5.378 125.304 119.914 0.021 0.000 2.716 47 V HA 0.520 4.640 4.120 0.000 0.000 0.304 47 V C 0.315 176.426 176.094 0.028 0.000 1.053 47 V CA -0.644 61.671 62.300 0.026 0.000 0.984 47 V CB 1.385 33.224 31.823 0.027 0.000 1.021 47 V HN 0.741 nan 8.190 nan 0.000 0.467 48 L N 1.601 122.844 121.223 0.033 0.000 2.230 48 L HA 0.772 5.112 4.340 0.000 0.000 0.255 48 L C -0.419 176.472 176.870 0.034 0.000 1.039 48 L CA -0.610 54.249 54.840 0.031 0.000 0.846 48 L CB 2.060 44.139 42.059 0.033 0.000 1.419 48 L HN 0.721 nan 8.230 nan 0.000 0.435 49 E N 0.140 120.356 120.200 0.027 0.000 2.311 49 E HA 0.339 4.689 4.350 0.000 0.000 0.281 49 E C -1.762 174.837 176.600 -0.001 0.000 0.905 49 E CA -0.574 55.840 56.400 0.023 0.000 0.778 49 E CB 2.513 32.241 29.700 0.047 0.000 1.240 49 E HN 0.301 nan 8.360 nan 0.000 0.410 50 V N 3.330 123.233 119.914 -0.019 0.000 2.585 50 V HA 0.231 4.351 4.120 0.000 0.000 0.296 50 V C 0.913 176.992 176.094 -0.025 0.000 1.035 50 V CA 0.997 63.276 62.300 -0.036 0.000 1.084 50 V CB 0.830 32.615 31.823 -0.064 0.000 0.953 50 V HN 0.839 nan 8.190 nan 0.000 0.483 51 A N 3.938 126.750 122.820 -0.014 0.000 2.074 51 A HA 0.330 4.650 4.320 0.000 0.000 0.200 51 A C 0.576 178.165 177.584 0.009 0.000 1.335 51 A CA 0.252 52.282 52.037 -0.011 0.000 0.922 51 A CB 0.397 19.389 19.000 -0.013 0.000 0.972 51 A HN 0.906 nan 8.150 nan 0.000 0.475 52 Q N -0.626 119.192 119.800 0.030 0.000 2.378 52 Q HA 0.294 4.634 4.340 0.000 0.000 0.262 52 Q C -1.716 174.343 176.000 0.098 0.000 0.978 52 Q CA -0.633 55.209 55.803 0.065 0.000 0.918 52 Q CB 0.369 29.124 28.738 0.028 0.000 1.415 52 Q HN 0.472 nan 8.270 nan 0.000 0.409 53 H N 2.755 121.785 119.070 -0.067 0.000 3.330 53 H HA 0.111 4.667 4.556 0.000 0.000 0.260 53 H C 1.631 176.928 175.328 -0.052 0.000 1.439 53 H CA 0.422 56.425 56.048 -0.075 0.000 1.540 53 H CB 0.549 30.261 29.762 -0.084 0.000 1.698 53 H HN 0.732 nan 8.280 nan 0.000 0.516 54 L N 3.075 124.318 121.223 0.033 0.000 2.189 54 L HA -0.033 4.307 4.340 0.000 0.000 0.214 54 L C 1.473 178.356 176.870 0.022 0.000 1.097 54 L CA 1.561 56.413 54.840 0.021 0.000 0.764 54 L CB -1.147 40.917 42.059 0.009 0.000 0.900 54 L HN 0.881 nan 8.230 nan 0.000 0.436 55 G N -3.186 105.625 108.800 0.017 0.000 2.355 55 G HA2 0.204 4.164 3.960 0.000 0.000 0.619 55 G HA3 0.204 4.164 3.960 0.000 0.000 0.619 55 G C -0.108 174.788 174.900 -0.007 0.000 1.337 55 G CA -0.189 44.919 45.100 0.015 0.000 0.993 55 G HN 1.022 nan 8.290 nan 0.000 0.599 56 E N 0.504 120.704 120.200 0.001 0.000 2.165 56 E HA -0.266 4.084 4.350 0.000 0.000 0.203 56 E C 0.571 177.126 176.600 -0.076 0.000 1.335 56 E CA 0.763 57.162 56.400 -0.002 0.000 0.708 56 E CB -1.030 28.693 29.700 0.038 0.000 1.105 56 E HN 0.862 nan 8.360 nan 0.000 0.346 57 N N -1.023 117.618 118.700 -0.099 0.000 2.735 57 N HA -0.149 4.591 4.740 0.000 0.000 0.248 57 N C -0.895 174.426 175.510 -0.314 0.000 1.083 57 N CA 1.739 54.679 53.050 -0.183 0.000 0.703 57 N CB -1.086 37.301 38.487 -0.167 0.000 1.005 57 N HN 0.213 nan 8.380 nan 0.000 0.550 58 T N 0.001 114.432 114.554 -0.205 0.000 2.840 58 T HA 0.521 4.871 4.350 0.000 0.000 0.287 58 T C 0.496 175.120 174.700 -0.126 0.000 0.991 58 T CA -0.707 61.310 62.100 -0.138 0.000 0.964 58 T CB 2.531 71.378 68.868 -0.035 0.000 0.954 58 T HN 0.141 nan 8.240 nan 0.000 0.438 59 V N 1.683 121.513 119.914 -0.141 0.000 2.612 59 V HA 0.719 4.839 4.120 0.000 0.000 0.301 59 V C -0.031 176.025 176.094 -0.064 0.000 1.046 59 V CA -1.262 60.930 62.300 -0.181 0.000 0.946 59 V CB 1.504 33.126 31.823 -0.335 0.000 1.003 59 V HN 0.823 nan 8.190 nan 0.000 0.459 60 R N 2.209 122.682 120.500 -0.046 0.000 2.295 60 R HA 0.645 4.985 4.340 0.000 0.000 0.324 60 R C 0.095 176.386 176.300 -0.016 0.000 0.968 60 R CA 0.149 56.240 56.100 -0.014 0.000 0.837 60 R CB 1.428 31.726 30.300 -0.003 0.000 1.133 60 R HN 1.161 nan 8.270 nan 0.000 0.450 61 T N 0.878 115.429 114.554 -0.005 0.000 2.938 61 T HA 0.587 4.937 4.350 0.000 0.000 0.285 61 T C 0.024 174.726 174.700 0.003 0.000 1.028 61 T CA -0.809 61.289 62.100 -0.002 0.000 1.005 61 T CB 1.097 69.969 68.868 0.008 0.000 1.157 61 T HN 0.430 nan 8.240 nan 0.000 0.550 62 I N 1.364 121.937 120.570 0.006 0.000 2.448 62 I HA 0.529 4.699 4.170 0.000 0.000 0.281 62 I C 0.593 176.718 176.117 0.013 0.000 1.027 62 I CA -1.170 60.134 61.300 0.006 0.000 1.111 62 I CB 1.335 39.336 38.000 0.001 0.000 1.236 62 I HN 0.972 nan 8.210 nan 0.000 0.452 63 A N 6.494 129.322 122.820 0.012 0.000 2.520 63 A HA 0.334 4.654 4.320 0.000 0.000 0.235 63 A C 0.635 178.229 177.584 0.015 0.000 1.065 63 A CA 0.375 52.421 52.037 0.015 0.000 0.764 63 A CB 0.279 19.286 19.000 0.012 0.000 1.002 63 A HN 0.886 nan 8.150 nan 0.000 0.502 64 M N 0.577 120.189 119.600 0.019 0.000 2.412 64 M HA 0.183 4.663 4.480 0.000 0.000 0.315 64 M C -0.324 175.986 176.300 0.017 0.000 1.092 64 M CA 0.272 55.584 55.300 0.019 0.000 0.974 64 M CB 0.291 32.907 32.600 0.026 0.000 1.437 64 M HN 0.829 nan 8.290 nan 0.000 0.524 65 D N -0.960 119.448 120.400 0.014 0.000 2.626 65 D HA 0.337 4.977 4.640 0.000 0.000 0.278 65 D C -0.709 175.597 176.300 0.009 0.000 1.211 65 D CA -0.183 53.824 54.000 0.012 0.000 0.903 65 D CB 2.125 42.932 40.800 0.012 0.000 1.408 65 D HN 0.160 nan 8.370 nan 0.000 0.454 66 G N -0.378 108.427 108.800 0.007 0.000 2.353 66 G HA2 0.213 4.173 3.960 0.000 0.000 0.239 66 G HA3 0.213 4.173 3.960 0.000 0.000 0.239 66 G C 1.044 175.948 174.900 0.006 0.000 1.295 66 G CA 0.491 45.594 45.100 0.005 0.000 0.884 66 G HN 0.404 nan 8.290 nan 0.000 0.537 67 T N -0.620 113.937 114.554 0.006 0.000 3.284 67 T HA 0.006 4.356 4.350 0.000 0.000 0.252 67 T C 0.978 175.681 174.700 0.005 0.000 1.144 67 T CA 0.441 62.545 62.100 0.006 0.000 1.021 67 T CB -0.394 68.478 68.868 0.007 0.000 0.984 67 T HN 0.728 nan 8.240 nan 0.000 0.545 68 E N 1.425 121.628 120.200 0.004 0.000 2.311 68 E HA 0.322 4.672 4.350 0.000 0.000 0.285 68 E C 0.820 177.422 176.600 0.003 0.000 1.122 68 E CA -0.056 56.346 56.400 0.003 0.000 1.145 68 E CB -1.228 28.474 29.700 0.003 0.000 1.066 68 E HN 0.538 nan 8.360 nan 0.000 0.461 69 G N 2.575 111.377 108.800 0.003 0.000 2.244 69 G HA2 -0.086 3.874 3.960 0.000 0.000 0.163 69 G HA3 -0.086 3.874 3.960 0.000 0.000 0.163 69 G C -0.340 174.561 174.900 0.003 0.000 1.064 69 G CA -0.790 44.312 45.100 0.002 0.000 0.757 69 G HN 0.357 nan 8.290 nan 0.000 0.484 70 L N 0.926 122.151 121.223 0.003 0.000 2.333 70 L HA 0.718 5.058 4.340 0.000 0.000 0.280 70 L C 0.370 177.241 176.870 0.003 0.000 1.004 70 L CA -1.310 53.532 54.840 0.004 0.000 0.820 70 L CB 1.916 43.979 42.059 0.007 0.000 1.247 70 L HN -0.036 nan 8.230 nan 0.000 0.416 71 V N 2.066 121.980 119.914 0.001 0.000 2.834 71 V HA 0.390 4.510 4.120 0.000 0.000 0.313 71 V C 0.490 176.583 176.094 -0.002 0.000 1.060 71 V CA -0.972 61.327 62.300 -0.002 0.000 0.989 71 V CB 1.734 33.554 31.823 -0.005 0.000 1.041 71 V HN 0.681 nan 8.190 nan 0.000 0.459 72 R N 2.283 122.781 120.500 -0.004 0.000 2.387 72 R HA 0.424 4.764 4.340 0.000 0.000 0.321 72 R C 0.886 177.179 176.300 -0.012 0.000 1.174 72 R CA 0.794 56.891 56.100 -0.005 0.000 1.002 72 R CB -0.185 30.111 30.300 -0.007 0.000 1.028 72 R HN 1.186 nan 8.270 nan 0.000 0.482 73 G N 2.122 110.915 108.800 -0.013 0.000 2.189 73 G HA2 -0.186 3.774 3.960 0.000 0.000 0.113 73 G HA3 -0.186 3.774 3.960 0.000 0.000 0.113 73 G C -0.185 174.700 174.900 -0.024 0.000 1.038 73 G CA -0.678 44.409 45.100 -0.023 0.000 0.704 73 G HN 0.546 nan 8.290 nan 0.000 0.490 74 E N 0.323 120.513 120.200 -0.018 0.000 2.283 74 E HA 0.406 4.756 4.350 0.000 0.000 0.271 74 E C 0.343 176.928 176.600 -0.026 0.000 1.031 74 E CA -0.817 55.573 56.400 -0.018 0.000 0.868 74 E CB 0.672 30.366 29.700 -0.008 0.000 1.094 74 E HN 0.169 nan 8.360 nan 0.000 0.401 75 K N 2.709 123.093 120.400 -0.028 0.000 2.361 75 K HA 0.075 4.395 4.320 0.000 0.000 0.283 75 K C -1.155 175.429 176.600 -0.026 0.000 1.078 75 K CA -0.143 56.121 56.287 -0.037 0.000 1.041 75 K CB 0.108 32.590 32.500 -0.030 0.000 0.932 75 K HN 0.187 nan 8.250 nan 0.000 0.462 76 V N 6.552 126.442 119.914 -0.039 0.000 2.398 76 V HA 0.289 4.409 4.120 0.000 0.000 0.286 76 V C -0.181 175.919 176.094 0.009 0.000 1.026 76 V CA -0.972 61.328 62.300 0.001 0.000 0.868 76 V CB 1.183 33.027 31.823 0.035 0.000 0.982 76 V HN 0.634 nan 8.190 nan 0.000 0.443 77 L N 3.750 124.998 121.223 0.041 0.000 2.322 77 L HA 0.651 4.991 4.340 0.000 0.000 0.279 77 L C -0.247 176.684 176.870 0.101 0.000 1.036 77 L CA -0.041 54.832 54.840 0.055 0.000 0.807 77 L CB 1.689 43.768 42.059 0.034 0.000 1.226 77 L HN 0.733 nan 8.230 nan 0.000 0.433 78 D N 1.089 121.565 120.400 0.127 0.000 2.210 78 D HA 0.252 4.892 4.640 0.000 0.000 0.249 78 D C 0.414 176.755 176.300 0.068 0.000 1.078 78 D CA 0.043 54.111 54.000 0.113 0.000 0.875 78 D CB 1.488 42.373 40.800 0.140 0.000 1.175 78 D HN 0.626 nan 8.370 nan 0.000 0.440 79 T N 0.602 115.186 114.554 0.051 0.000 3.214 79 T HA 0.438 4.788 4.350 0.000 0.000 0.264 79 T C 1.389 176.109 174.700 0.033 0.000 1.012 79 T CA 0.241 62.364 62.100 0.038 0.000 0.901 79 T CB 0.008 68.896 68.868 0.034 0.000 1.070 79 T HN 0.597 nan 8.240 nan 0.000 0.561 80 G N 0.858 109.678 108.800 0.034 0.000 3.078 80 G HA2 -0.153 3.807 3.960 0.000 0.000 0.227 80 G HA3 -0.153 3.807 3.960 0.000 0.000 0.227 80 G C 0.546 175.461 174.900 0.024 0.000 1.306 80 G CA 0.022 45.138 45.100 0.027 0.000 0.841 80 G HN 1.192 nan 8.290 nan 0.000 0.530 81 G N 0.232 109.050 108.800 0.029 0.000 3.175 81 G HA2 0.772 4.732 3.960 0.000 0.000 0.255 81 G HA3 0.772 4.732 3.960 0.000 0.000 0.255 81 G C -2.502 172.429 174.900 0.051 0.000 1.352 81 G CA -0.246 44.875 45.100 0.036 0.000 1.037 81 G HN 0.460 nan 8.290 nan 0.000 0.556 82 P HA 0.266 nan 4.420 nan 0.000 0.312 82 P C -0.220 177.137 177.300 0.094 0.000 1.307 82 P CA -0.528 62.655 63.100 0.138 0.000 0.738 82 P CB 0.501 32.357 31.700 0.261 0.000 1.422 83 I N -0.166 120.460 120.570 0.094 0.000 2.436 83 I HA 0.041 4.211 4.170 0.000 0.000 0.289 83 I C 0.751 176.867 176.117 -0.002 0.000 1.083 83 I CA 0.366 61.684 61.300 0.031 0.000 1.372 83 I CB -0.047 37.961 38.000 0.013 0.000 1.408 83 I HN 0.123 nan 8.210 nan 0.000 0.516 84 S N 5.510 121.210 115.700 0.001 0.000 2.564 84 S HA 0.454 4.924 4.470 0.000 0.000 0.278 84 S C -0.263 174.322 174.600 -0.025 0.000 1.333 84 S CA -0.627 57.566 58.200 -0.011 0.000 1.048 84 S CB 0.877 64.073 63.200 -0.007 0.000 0.900 84 S HN 0.462 nan 8.310 nan 0.000 0.505 85 V N 1.469 121.361 119.914 -0.036 0.000 2.888 85 V HA 0.660 4.780 4.120 0.000 0.000 0.309 85 V C -2.864 173.193 176.094 -0.061 0.000 1.114 85 V CA -2.765 59.508 62.300 -0.045 0.000 0.940 85 V CB 1.696 33.489 31.823 -0.049 0.000 1.021 85 V HN 0.610 nan 8.190 nan 0.000 0.426 86 P HA 0.345 nan 4.420 nan 0.000 0.271 86 P C -0.304 176.909 177.300 -0.146 0.000 1.216 86 P CA 0.179 63.219 63.100 -0.100 0.000 0.771 86 P CB 1.516 33.169 31.700 -0.077 0.000 0.864 87 V N -0.881 118.879 119.914 -0.256 0.000 3.145 87 V HA 0.954 5.074 4.120 0.000 0.000 0.311 87 V C 0.445 176.122 176.094 -0.694 0.000 1.238 87 V CA -0.154 61.874 62.300 -0.453 0.000 1.066 87 V CB 0.761 32.276 31.823 -0.514 0.000 1.144 87 V HN 0.961 nan 8.190 nan 0.000 0.465 88 G N 0.691 108.783 108.800 -1.180 0.000 2.584 88 G HA2 -0.185 3.775 3.960 0.000 0.000 0.229 88 G HA3 -0.185 3.775 3.960 0.000 0.000 0.229 88 G C 0.113 174.658 174.900 -0.592 0.000 1.320 88 G CA 0.292 44.746 45.100 -1.076 0.000 0.891 88 G HN 0.979 nan 8.290 nan 0.000 0.573 89 R N 0.611 120.915 120.500 -0.327 0.000 2.547 89 R HA 0.147 4.487 4.340 0.000 0.000 0.258 89 R C 0.820 177.089 176.300 -0.052 0.000 1.115 89 R CA 0.197 56.225 56.100 -0.121 0.000 1.152 89 R CB 0.083 30.359 30.300 -0.041 0.000 1.221 89 R HN 0.485 nan 8.270 nan 0.000 0.539 90 E N -0.528 119.620 120.200 -0.086 0.000 2.562 90 E HA 0.011 4.361 4.350 0.000 0.000 0.214 90 E C 1.087 177.672 176.600 -0.025 0.000 0.979 90 E CA 0.430 56.802 56.400 -0.047 0.000 1.002 90 E CB 1.202 30.862 29.700 -0.067 0.000 1.048 90 E HN 0.285 nan 8.360 nan 0.000 0.488 91 T N -1.945 112.604 114.554 -0.007 0.000 3.037 91 T HA 0.191 4.541 4.350 0.000 0.000 0.252 91 T C 1.214 175.944 174.700 0.051 0.000 1.073 91 T CA -0.216 61.897 62.100 0.021 0.000 1.091 91 T CB -0.020 68.869 68.868 0.036 0.000 0.935 91 T HN -0.071 nan 8.240 nan 0.000 0.488 92 L N 2.382 123.652 121.223 0.078 0.000 2.601 92 L HA 0.348 4.688 4.340 0.000 0.000 0.277 92 L C 1.752 178.665 176.870 0.072 0.000 1.219 92 L CA 1.176 56.063 54.840 0.078 0.000 0.915 92 L CB -0.190 41.934 42.059 0.107 0.000 1.160 92 L HN 0.605 nan 8.230 nan 0.000 0.494 93 G N 1.915 110.761 108.800 0.076 0.000 2.234 93 G HA2 -0.228 3.732 3.960 0.000 0.000 0.260 93 G HA3 -0.228 3.732 3.960 0.000 0.000 0.260 93 G C 0.508 175.464 174.900 0.094 0.000 0.987 93 G CA -0.258 44.901 45.100 0.099 0.000 0.625 93 G HN 0.482 nan 8.290 nan 0.000 0.532 94 R N -0.290 120.238 120.500 0.047 0.000 2.691 94 R HA 0.785 5.125 4.340 0.000 0.000 0.259 94 R C -0.001 176.281 176.300 -0.030 0.000 1.048 94 R CA -0.835 55.269 56.100 0.007 0.000 1.086 94 R CB 0.841 31.146 30.300 0.008 0.000 1.166 94 R HN 0.274 nan 8.270 nan 0.000 0.526 95 I N 1.911 122.441 120.570 -0.065 0.000 2.406 95 I HA 0.364 4.534 4.170 0.000 0.000 0.290 95 I C -0.339 175.771 176.117 -0.012 0.000 0.999 95 I CA -0.638 60.633 61.300 -0.049 0.000 1.124 95 I CB 1.473 39.407 38.000 -0.109 0.000 1.289 95 I HN 0.280 nan 8.210 nan 0.000 0.441 96 I N 5.403 125.975 120.570 0.004 0.000 2.693 96 I HA 0.389 4.559 4.170 0.000 0.000 0.303 96 I C -0.051 176.082 176.117 0.026 0.000 1.025 96 I CA -0.426 60.876 61.300 0.003 0.000 1.086 96 I CB 1.706 39.698 38.000 -0.014 0.000 1.268 96 I HN 0.644 nan 8.210 nan 0.000 0.440 97 N N 2.651 121.366 118.700 0.024 0.000 2.671 97 N HA 0.329 5.069 4.740 0.000 0.000 0.303 97 N C 0.589 176.108 175.510 0.015 0.000 1.277 97 N CA -0.845 52.227 53.050 0.037 0.000 0.933 97 N CB 0.550 39.060 38.487 0.039 0.000 1.190 97 N HN 0.346 nan 8.380 nan 0.000 0.600 98 V N 0.070 119.997 119.914 0.021 0.000 2.332 98 V HA -0.194 3.926 4.120 0.000 0.000 0.248 98 V C 1.732 177.825 176.094 -0.001 0.000 1.055 98 V CA 2.207 64.511 62.300 0.008 0.000 1.038 98 V CB -0.972 30.863 31.823 0.020 0.000 0.651 98 V HN 0.714 nan 8.190 nan 0.000 0.450 99 I N -1.524 119.050 120.570 0.006 0.000 3.291 99 I HA 0.357 4.527 4.170 0.000 0.000 0.279 99 I C 1.379 177.494 176.117 -0.004 0.000 1.294 99 I CA 1.047 62.350 61.300 0.004 0.000 1.428 99 I CB -0.297 37.709 38.000 0.011 0.000 1.070 99 I HN 0.440 nan 8.210 nan 0.000 0.478 100 G N 0.954 109.749 108.800 -0.008 0.000 2.135 100 G HA2 -0.192 3.768 3.960 0.000 0.000 0.183 100 G HA3 -0.192 3.768 3.960 0.000 0.000 0.183 100 G C -0.244 174.649 174.900 -0.011 0.000 1.004 100 G CA -0.159 44.932 45.100 -0.015 0.000 0.677 100 G HN 0.587 nan 8.290 nan 0.000 0.512 101 E N 0.801 120.998 120.200 -0.004 0.000 2.222 101 E HA 0.499 4.849 4.350 0.000 0.000 0.267 101 E C -2.500 174.098 176.600 -0.002 0.000 0.963 101 E CA -2.198 54.201 56.400 -0.003 0.000 0.837 101 E CB 2.163 31.864 29.700 0.001 0.000 1.183 101 E HN 0.115 nan 8.360 nan 0.000 0.403 102 P HA 0.081 nan 4.420 nan 0.000 0.282 102 P C 0.196 177.495 177.300 -0.002 0.000 1.262 102 P CA 0.237 63.334 63.100 -0.005 0.000 0.773 102 P CB 0.419 32.115 31.700 -0.008 0.000 0.879 103 I N 0.622 121.192 120.570 -0.001 0.000 3.645 103 I HA 0.053 4.223 4.170 0.000 0.000 0.300 103 I C 1.128 177.235 176.117 -0.016 0.000 1.260 103 I CA 0.327 61.627 61.300 -0.001 0.000 1.365 103 I CB -0.573 37.436 38.000 0.014 0.000 1.077 103 I HN 0.104 nan 8.210 nan 0.000 0.439 104 D N 1.365 121.745 120.400 -0.033 0.000 2.363 104 D HA -0.127 4.513 4.640 0.000 0.000 0.226 104 D C 0.252 176.545 176.300 -0.011 0.000 1.020 104 D CA 0.201 54.174 54.000 -0.045 0.000 0.892 104 D CB -0.555 40.182 40.800 -0.105 0.000 0.900 104 D HN 0.524 nan 8.370 nan 0.000 0.531 105 E N -0.320 119.876 120.200 -0.006 0.000 2.246 105 E HA -0.220 4.130 4.350 0.000 0.000 0.211 105 E C -0.465 176.140 176.600 0.008 0.000 1.278 105 E CA 0.231 56.632 56.400 0.002 0.000 0.694 105 E CB -1.308 28.395 29.700 0.005 0.000 1.166 105 E HN 0.434 nan 8.360 nan 0.000 0.370 106 R N 0.599 121.103 120.500 0.007 0.000 2.865 106 R HA 0.389 4.729 4.340 0.000 0.000 0.370 106 R C 0.862 177.167 176.300 0.008 0.000 1.168 106 R CA 0.114 56.221 56.100 0.012 0.000 1.058 106 R CB 1.007 31.318 30.300 0.019 0.000 1.419 106 R HN 0.425 nan 8.270 nan 0.000 0.580 107 G N 2.095 110.898 108.800 0.005 0.000 2.499 107 G HA2 -0.254 3.706 3.960 0.000 0.000 0.232 107 G HA3 -0.254 3.706 3.960 0.000 0.000 0.232 107 G C -2.566 172.333 174.900 -0.001 0.000 1.251 107 G CA -0.783 44.319 45.100 0.002 0.000 0.917 107 G HN 0.262 nan 8.290 nan 0.000 0.580 108 P HA 0.747 nan 4.420 nan 0.000 0.325 108 P C -0.445 176.849 177.300 -0.009 0.000 1.298 108 P CA -0.802 62.294 63.100 -0.006 0.000 0.771 108 P CB 0.762 32.457 31.700 -0.007 0.000 1.389 109 I N -0.044 120.517 120.570 -0.015 0.000 2.420 109 I HA 0.282 4.452 4.170 0.000 0.000 0.282 109 I C 0.346 176.446 176.117 -0.029 0.000 1.019 109 I CA -0.504 60.784 61.300 -0.021 0.000 1.130 109 I CB 1.238 39.223 38.000 -0.025 0.000 1.262 109 I HN 0.071 nan 8.210 nan 0.000 0.454 110 K N 4.572 124.956 120.400 -0.027 0.000 2.737 110 K HA 0.116 4.436 4.320 0.000 0.000 0.251 110 K C 0.237 176.809 176.600 -0.046 0.000 1.280 110 K CA -0.215 56.053 56.287 -0.031 0.000 1.219 110 K CB -0.003 32.484 32.500 -0.021 0.000 1.587 110 K HN 0.647 nan 8.250 nan 0.000 0.279 111 S N -0.167 115.495 115.700 -0.064 0.000 2.523 111 S HA 0.160 4.630 4.470 0.000 0.000 0.275 111 S C 0.949 175.498 174.600 -0.085 0.000 1.281 111 S CA -0.735 57.406 58.200 -0.098 0.000 1.050 111 S CB 1.725 64.845 63.200 -0.133 0.000 0.937 111 S HN 0.320 nan 8.310 nan 0.000 0.492 112 K N 1.539 121.887 120.400 -0.087 0.000 2.063 112 K HA 0.053 4.373 4.320 0.000 0.000 0.208 112 K C 0.379 176.944 176.600 -0.059 0.000 1.048 112 K CA 1.006 57.257 56.287 -0.060 0.000 0.928 112 K CB -0.203 32.268 32.500 -0.047 0.000 0.713 112 K HN 0.582 nan 8.250 nan 0.000 0.442 113 L N 1.169 122.338 121.223 -0.091 0.000 2.322 113 L HA 0.259 4.599 4.340 0.000 0.000 0.279 113 L C -0.363 176.451 176.870 -0.094 0.000 1.036 113 L CA -0.550 54.247 54.840 -0.072 0.000 0.807 113 L CB 1.447 43.478 42.059 -0.047 0.000 1.226 113 L HN 0.050 nan 8.230 nan 0.000 0.433 114 R N 3.864 124.332 120.500 -0.054 0.000 2.388 114 R HA 0.366 4.706 4.340 0.000 0.000 0.314 114 R C -0.880 175.403 176.300 -0.028 0.000 0.959 114 R CA -0.787 55.282 56.100 -0.051 0.000 0.851 114 R CB 1.921 32.199 30.300 -0.037 0.000 1.168 114 R HN 0.486 nan 8.270 nan 0.000 0.472 115 K N 2.985 123.366 120.400 -0.031 0.000 2.126 115 K HA 0.326 4.646 4.320 0.000 0.000 0.257 115 K C -2.354 174.238 176.600 -0.012 0.000 1.007 115 K CA -1.783 54.500 56.287 -0.007 0.000 0.928 115 K CB 1.003 33.508 32.500 0.009 0.000 1.013 115 K HN 0.191 nan 8.250 nan 0.000 0.473 116 P HA 0.128 nan 4.420 nan 0.000 0.292 116 P C 0.521 177.795 177.300 -0.042 0.000 1.287 116 P CA -0.328 62.772 63.100 0.000 0.000 0.800 116 P CB 0.367 32.090 31.700 0.038 0.000 0.945 117 I N -0.263 120.229 120.570 -0.129 0.000 2.756 117 I HA -0.071 4.099 4.170 0.000 0.000 0.262 117 I C 0.199 176.102 176.117 -0.356 0.000 1.225 117 I CA 1.125 62.266 61.300 -0.265 0.000 1.472 117 I CB -0.693 37.092 38.000 -0.358 0.000 1.094 117 I HN 0.268 nan 8.210 nan 0.000 0.454 118 H N 2.767 121.841 119.070 0.008 0.000 2.724 118 H HA 0.713 5.269 4.556 0.000 0.000 0.278 118 H C -0.218 175.113 175.328 0.005 0.000 1.159 118 H CA -0.391 55.662 56.048 0.009 0.000 1.254 118 H CB 0.728 30.499 29.762 0.015 0.000 1.412 118 H HN 0.381 nan 8.280 nan 0.000 0.488 119 A N 3.141 126.006 122.820 0.076 0.000 2.311 119 A HA 0.310 4.630 4.320 0.000 0.000 0.334 119 A C 0.018 177.630 177.584 0.046 0.000 1.139 119 A CA -0.842 51.225 52.037 0.050 0.000 0.830 119 A CB 1.112 20.123 19.000 0.020 0.000 1.234 119 A HN 0.481 nan 8.150 nan 0.000 0.483 120 D N 1.248 121.669 120.400 0.035 0.000 2.372 120 D HA 0.411 5.051 4.640 0.000 0.000 0.243 120 D C -2.233 174.081 176.300 0.022 0.000 1.121 120 D CA -0.435 53.583 54.000 0.030 0.000 0.898 120 D CB 0.688 41.503 40.800 0.025 0.000 1.202 120 D HN 0.211 nan 8.370 nan 0.000 0.428 121 P HA 0.265 nan 4.420 nan 0.000 0.278 121 P C -2.508 174.806 177.300 0.023 0.000 1.238 121 P CA -1.196 61.916 63.100 0.020 0.000 0.794 121 P CB -0.170 31.547 31.700 0.028 0.000 0.955 122 P HA -0.001 nan 4.420 nan 0.000 0.262 122 P C 0.072 177.393 177.300 0.035 0.000 1.182 122 P CA 0.283 63.392 63.100 0.015 0.000 0.761 122 P CB 0.079 31.780 31.700 0.001 0.000 0.795 123 S N 2.633 118.358 115.700 0.042 0.000 2.593 123 S HA 0.102 4.572 4.470 0.000 0.000 0.269 123 S C 1.014 175.677 174.600 0.104 0.000 1.334 123 S CA -0.548 57.700 58.200 0.081 0.000 1.015 123 S CB 0.058 63.301 63.200 0.073 0.000 0.912 123 S HN 0.393 nan 8.310 nan 0.000 0.541 124 F N 1.996 121.949 119.950 0.005 0.000 2.176 124 F HA -0.236 4.291 4.527 0.000 0.000 0.301 124 F C 2.351 178.152 175.800 0.003 0.000 1.071 124 F CA 1.814 59.817 58.000 0.005 0.000 1.289 124 F CB -0.983 38.020 39.000 0.004 0.000 1.028 124 F HN 0.775 nan 8.300 nan 0.000 0.494 125 A N -0.286 122.531 122.820 -0.005 0.000 1.902 125 A HA -0.222 4.098 4.320 0.000 0.000 0.217 125 A C 2.193 179.694 177.584 -0.137 0.000 1.181 125 A CA 1.886 53.872 52.037 -0.084 0.000 0.623 125 A CB -0.847 18.160 19.000 0.012 0.000 0.818 125 A HN 0.560 nan 8.150 nan 0.000 0.443 126 E N -0.034 120.111 120.200 -0.091 0.000 2.208 126 E HA -0.082 4.268 4.350 0.000 0.000 0.193 126 E C 0.049 176.585 176.600 -0.107 0.000 0.988 126 E CA 0.019 56.372 56.400 -0.079 0.000 0.828 126 E CB -0.034 29.641 29.700 -0.042 0.000 0.763 126 E HN 0.522 nan 8.360 nan 0.000 0.478 127 Q N 1.298 121.007 119.800 -0.152 0.000 2.388 127 Q HA -0.034 4.306 4.340 0.000 0.000 0.302 127 Q C -0.406 175.509 176.000 -0.142 0.000 1.149 127 Q CA 0.479 56.194 55.803 -0.148 0.000 1.014 127 Q CB 0.562 29.179 28.738 -0.202 0.000 1.072 127 Q HN -0.058 nan 8.270 nan 0.000 0.395 128 S N 2.634 118.282 115.700 -0.087 0.000 2.438 128 S HA 0.443 4.913 4.470 0.000 0.000 0.293 128 S C -0.387 174.182 174.600 -0.051 0.000 1.141 128 S CA -0.537 57.622 58.200 -0.068 0.000 1.080 128 S CB 0.513 63.685 63.200 -0.046 0.000 0.978 128 S HN 0.535 nan 8.310 nan 0.000 0.479 129 T N 1.798 116.321 114.554 -0.050 0.000 2.824 129 T HA 0.790 5.140 4.350 0.000 0.000 0.282 129 T C -0.373 174.315 174.700 -0.020 0.000 0.993 129 T CA -0.705 61.377 62.100 -0.032 0.000 0.967 129 T CB 1.341 70.190 68.868 -0.031 0.000 0.960 129 T HN 0.705 nan 8.240 nan 0.000 0.441 130 S N 0.946 116.640 115.700 -0.010 0.000 2.656 130 S HA 0.808 5.278 4.470 0.000 0.000 0.273 130 S C -1.134 173.468 174.600 0.003 0.000 1.168 130 S CA -0.874 57.323 58.200 -0.004 0.000 0.817 130 S CB 1.245 64.443 63.200 -0.003 0.000 1.146 130 S HN 1.565 nan 8.310 nan 0.000 0.475 131 A N 0.624 123.447 122.820 0.005 0.000 2.802 131 A HA 0.673 4.993 4.320 0.000 0.000 0.344 131 A C -0.467 177.125 177.584 0.012 0.000 1.215 131 A CA -0.373 51.670 52.037 0.010 0.000 0.821 131 A CB -0.081 18.923 19.000 0.006 0.000 1.099 131 A HN 0.706 nan 8.150 nan 0.000 0.479 132 E N 2.418 122.629 120.200 0.019 0.000 2.129 132 E HA 0.338 4.688 4.350 0.000 0.000 0.268 132 E C -0.628 175.992 176.600 0.034 0.000 0.900 132 E CA -0.538 55.876 56.400 0.023 0.000 0.755 132 E CB 1.100 30.815 29.700 0.024 0.000 1.117 132 E HN 0.756 nan 8.360 nan 0.000 0.410 133 I N 5.675 126.264 120.570 0.032 0.000 2.587 133 I HA 0.025 4.195 4.170 0.000 0.000 0.284 133 I C -0.942 175.209 176.117 0.056 0.000 1.134 133 I CA -0.271 61.054 61.300 0.041 0.000 1.410 133 I CB 0.312 38.328 38.000 0.027 0.000 1.392 133 I HN 0.471 nan 8.210 nan 0.000 0.545 134 L N 8.382 129.653 121.223 0.079 0.000 2.255 134 L HA 0.368 4.708 4.340 0.000 0.000 0.289 134 L C -0.081 176.841 176.870 0.088 0.000 1.046 134 L CA -0.014 54.883 54.840 0.095 0.000 0.816 134 L CB 1.092 43.227 42.059 0.128 0.000 1.197 134 L HN 0.642 nan 8.230 nan 0.000 0.427 135 E N 2.114 122.355 120.200 0.067 0.000 2.290 135 E HA 0.107 4.457 4.350 0.000 0.000 0.277 135 E C 0.472 177.103 176.600 0.051 0.000 1.035 135 E CA 0.497 56.926 56.400 0.049 0.000 0.873 135 E CB 0.853 30.578 29.700 0.042 0.000 1.029 135 E HN 0.806 nan 8.360 nan 0.000 0.419 136 T N 0.803 115.373 114.554 0.026 0.000 2.990 136 T HA 0.270 4.620 4.350 0.000 0.000 0.250 136 T C 1.417 176.107 174.700 -0.017 0.000 1.041 136 T CA 0.498 62.615 62.100 0.029 0.000 1.010 136 T CB 0.396 69.272 68.868 0.012 0.000 1.003 136 T HN 0.702 nan 8.240 nan 0.000 0.499 137 G N 1.905 110.697 108.800 -0.013 0.000 2.267 137 G HA2 -0.236 3.724 3.960 0.000 0.000 0.257 137 G HA3 -0.236 3.724 3.960 0.000 0.000 0.257 137 G C 0.074 174.972 174.900 -0.004 0.000 0.998 137 G CA 0.189 45.279 45.100 -0.017 0.000 0.620 137 G HN 0.690 nan 8.290 nan 0.000 0.529 138 I N 1.480 122.047 120.570 -0.005 0.000 2.396 138 I HA 0.209 4.379 4.170 0.000 0.000 0.289 138 I C 1.655 177.805 176.117 0.055 0.000 1.056 138 I CA -0.295 61.048 61.300 0.072 0.000 1.365 138 I CB 1.139 39.207 38.000 0.114 0.000 1.407 138 I HN 0.030 nan 8.210 nan 0.000 0.509 139 K N 3.922 124.365 120.400 0.071 0.000 2.147 139 K HA -0.137 4.183 4.320 0.000 0.000 0.205 139 K C 1.787 178.369 176.600 -0.030 0.000 1.049 139 K CA 0.984 57.286 56.287 0.025 0.000 0.936 139 K CB 0.010 32.536 32.500 0.044 0.000 0.722 139 K HN 0.615 nan 8.250 nan 0.000 0.446 140 V N 0.645 120.570 119.914 0.019 0.000 2.407 140 V HA -0.160 3.960 4.120 0.000 0.000 0.245 140 V C 1.986 178.058 176.094 -0.037 0.000 1.041 140 V CA 1.208 63.496 62.300 -0.020 0.000 1.040 140 V CB 0.139 31.999 31.823 0.062 0.000 0.671 140 V HN 0.051 nan 8.190 nan 0.000 0.455 141 V N 0.496 120.402 119.914 -0.013 0.000 2.237 141 V HA -0.215 3.905 4.120 0.000 0.000 0.245 141 V C 2.410 178.401 176.094 -0.171 0.000 1.046 141 V CA 2.489 64.689 62.300 -0.168 0.000 1.007 141 V CB -0.857 30.735 31.823 -0.387 0.000 0.638 141 V HN 0.561 nan 8.190 nan 0.000 0.445 142 D N -0.346 119.985 120.400 -0.114 0.000 2.190 142 D HA -0.175 4.465 4.640 0.000 0.000 0.200 142 D C 1.872 178.188 176.300 0.026 0.000 0.992 142 D CA 1.356 55.330 54.000 -0.042 0.000 0.854 142 D CB -0.048 40.747 40.800 -0.008 0.000 0.936 142 D HN 0.339 nan 8.370 nan 0.000 0.462 143 L N -0.526 120.674 121.223 -0.039 0.000 2.145 143 L HA 0.087 4.427 4.340 0.000 0.000 0.201 143 L C 2.019 178.878 176.870 -0.019 0.000 1.075 143 L CA 1.038 55.852 54.840 -0.043 0.000 0.773 143 L CB 0.056 41.932 42.059 -0.305 0.000 0.936 143 L HN -0.056 nan 8.230 nan 0.000 0.451 144 L N -1.400 119.774 121.223 -0.081 0.000 2.467 144 L HA 0.376 4.716 4.340 0.000 0.000 0.213 144 L C 0.764 177.607 176.870 -0.044 0.000 1.053 144 L CA 0.515 55.308 54.840 -0.079 0.000 0.847 144 L CB -0.005 41.995 42.059 -0.098 0.000 1.075 144 L HN 0.149 nan 8.230 nan 0.000 0.479 145 A N 0.570 123.367 122.820 -0.039 0.000 3.410 145 A HA 0.439 4.759 4.320 0.000 0.000 0.276 145 A C -2.575 174.993 177.584 -0.025 0.000 0.995 145 A CA -1.010 51.028 52.037 0.002 0.000 0.934 145 A CB -0.327 18.704 19.000 0.052 0.000 1.191 145 A HN -0.142 nan 8.150 nan 0.000 0.511 146 P HA -0.016 nan 4.420 nan 0.000 0.261 146 P C -0.559 176.801 177.300 0.101 0.000 1.173 146 P CA 0.795 63.868 63.100 -0.045 0.000 0.760 146 P CB 0.285 31.970 31.700 -0.025 0.000 0.783 147 Y N 1.596 121.927 120.300 0.053 0.000 2.260 147 Y HA 0.507 5.057 4.550 0.000 0.000 0.339 147 Y C 1.084 176.998 175.900 0.024 0.000 1.317 147 Y CA -1.346 56.779 58.100 0.042 0.000 1.514 147 Y CB 0.067 38.559 38.460 0.054 0.000 1.382 147 Y HN 0.452 nan 8.280 nan 0.000 0.581 148 A N 0.870 123.801 122.820 0.185 0.000 2.486 148 A HA 0.673 4.993 4.320 0.000 0.000 0.300 148 A C -0.751 176.862 177.584 0.049 0.000 1.048 148 A CA -1.135 50.957 52.037 0.092 0.000 0.696 148 A CB 0.949 19.987 19.000 0.064 0.000 1.278 148 A HN 0.708 nan 8.150 nan 0.000 0.405 149 R N 0.614 121.140 120.500 0.043 0.000 2.494 149 R HA 0.317 4.657 4.340 0.000 0.000 0.291 149 R C 1.563 177.866 176.300 0.005 0.000 0.953 149 R CA 2.196 58.311 56.100 0.025 0.000 1.098 149 R CB 0.001 30.324 30.300 0.038 0.000 0.911 149 R HN 2.019 nan 8.270 nan 0.000 0.407 150 G N 1.710 110.500 108.800 -0.016 0.000 2.228 150 G HA2 -0.298 3.662 3.960 0.000 0.000 0.270 150 G HA3 -0.298 3.662 3.960 0.000 0.000 0.270 150 G C 0.580 175.458 174.900 -0.038 0.000 0.976 150 G CA 0.253 45.337 45.100 -0.026 0.000 0.636 150 G HN 0.913 nan 8.290 nan 0.000 0.542 151 G N -0.078 108.702 108.800 -0.033 0.000 2.467 151 G HA2 0.505 4.465 3.960 0.000 0.000 0.257 151 G HA3 0.505 4.465 3.960 0.000 0.000 0.257 151 G C 0.075 174.929 174.900 -0.077 0.000 1.227 151 G CA -0.224 44.856 45.100 -0.033 0.000 0.835 151 G HN 0.478 nan 8.290 nan 0.000 0.556 152 K N 0.449 120.808 120.400 -0.069 0.000 2.249 152 K HA 0.448 4.768 4.320 0.000 0.000 0.280 152 K C -0.431 176.093 176.600 -0.127 0.000 1.033 152 K CA 0.027 56.251 56.287 -0.104 0.000 0.946 152 K CB 1.459 33.921 32.500 -0.063 0.000 1.005 152 K HN 0.327 nan 8.250 nan 0.000 0.469 153 I N 0.762 121.207 120.570 -0.209 0.000 2.582 153 I HA 0.386 4.556 4.170 0.000 0.000 0.292 153 I C 0.028 176.002 176.117 -0.239 0.000 1.066 153 I CA -0.859 60.274 61.300 -0.278 0.000 1.053 153 I CB 2.394 40.045 38.000 -0.581 0.000 1.241 153 I HN 0.630 nan 8.210 nan 0.000 0.421 154 G N 5.626 114.323 108.800 -0.172 0.000 2.513 154 G HA2 0.721 4.681 3.960 0.000 0.000 0.317 154 G HA3 0.721 4.681 3.960 0.000 0.000 0.317 154 G C -1.109 173.682 174.900 -0.182 0.000 1.277 154 G CA -0.483 44.481 45.100 -0.228 0.000 0.955 154 G HN 0.462 nan 8.290 nan 0.000 0.484 155 L N 2.589 123.644 121.223 -0.280 0.000 2.371 155 L HA 0.374 4.714 4.340 0.000 0.000 0.262 155 L C -0.672 176.052 176.870 -0.243 0.000 1.054 155 L CA -0.581 54.152 54.840 -0.179 0.000 0.924 155 L CB 0.366 42.371 42.059 -0.091 0.000 1.295 155 L HN 0.366 nan 8.230 nan 0.000 0.441 156 F N 1.267 121.138 119.950 -0.131 0.000 2.443 156 F HA 0.627 5.154 4.527 0.000 0.000 0.353 156 F C 1.119 176.867 175.800 -0.087 0.000 1.101 156 F CA -0.007 57.923 58.000 -0.117 0.000 1.226 156 F CB 1.487 40.416 39.000 -0.118 0.000 1.140 156 F HN 0.354 nan 8.300 nan 0.000 0.557 157 G N 0.956 109.790 108.800 0.057 0.000 2.616 157 G HA2 0.492 4.452 3.960 0.000 0.000 0.294 157 G HA3 0.492 4.452 3.960 0.000 0.000 0.294 157 G C -0.773 174.043 174.900 -0.141 0.000 1.489 157 G CA -0.371 44.722 45.100 -0.011 0.000 0.836 157 G HN 0.923 nan 8.290 nan 0.000 0.527 158 G N -0.674 108.031 108.800 -0.159 0.000 2.508 158 G HA2 0.658 4.618 3.960 0.000 0.000 0.278 158 G HA3 0.658 4.618 3.960 0.000 0.000 0.278 158 G C 0.595 175.375 174.900 -0.201 0.000 1.389 158 G CA 0.297 45.220 45.100 -0.295 0.000 1.050 158 G HN 1.641 nan 8.290 nan 0.000 0.522 159 A N -1.004 121.731 122.820 -0.141 0.000 2.544 159 A HA 0.547 4.867 4.320 0.000 0.000 0.301 159 A C 1.187 178.810 177.584 0.065 0.000 1.368 159 A CA 0.764 52.844 52.037 0.073 0.000 1.045 159 A CB -0.953 18.168 19.000 0.201 0.000 1.129 159 A HN 2.366 nan 8.150 nan 0.000 0.540 160 G N 0.763 109.609 108.800 0.076 0.000 2.148 160 G HA2 -0.105 3.855 3.960 0.000 0.000 0.157 160 G HA3 -0.105 3.855 3.960 0.000 0.000 0.157 160 G C 0.595 175.542 174.900 0.079 0.000 1.012 160 G CA 0.449 45.590 45.100 0.069 0.000 0.677 160 G HN 1.846 nan 8.290 nan 0.000 0.506 161 V N -2.334 117.631 119.914 0.085 0.000 3.608 161 V HA 0.635 4.755 4.120 0.000 0.000 0.269 161 V C 1.604 177.818 176.094 0.201 0.000 1.245 161 V CA 1.056 63.427 62.300 0.118 0.000 1.138 161 V CB 0.273 32.126 31.823 0.051 0.000 0.841 161 V HN 2.100 nan 8.190 nan 0.000 0.451 162 G N 0.398 109.303 108.800 0.174 0.000 2.189 162 G HA2 -0.148 3.812 3.960 0.000 0.000 0.113 162 G HA3 -0.148 3.812 3.960 0.000 0.000 0.113 162 G C 0.453 175.510 174.900 0.262 0.000 1.038 162 G CA 0.177 45.407 45.100 0.217 0.000 0.704 162 G HN 0.389 nan 8.290 nan 0.000 0.490 163 K N -0.263 120.256 120.400 0.199 0.000 1.973 163 K HA -0.046 4.274 4.320 0.000 0.000 0.210 163 K C 2.541 179.300 176.600 0.265 0.000 1.045 163 K CA 1.887 58.295 56.287 0.201 0.000 0.937 163 K CB -0.362 32.218 32.500 0.134 0.000 0.721 163 K HN 0.250 nan 8.250 nan 0.000 0.438 164 T N 1.468 116.160 114.554 0.230 0.000 2.803 164 T HA -0.107 4.243 4.350 0.000 0.000 0.269 164 T C 2.040 176.893 174.700 0.256 0.000 1.052 164 T CA 1.142 63.386 62.100 0.241 0.000 1.136 164 T CB -0.186 68.809 68.868 0.212 0.000 0.864 164 T HN -0.046 nan 8.240 nan 0.000 0.467 165 V N 0.456 120.533 119.914 0.271 0.000 2.379 165 V HA -0.046 4.074 4.120 0.000 0.000 0.245 165 V C 1.937 178.251 176.094 0.367 0.000 1.044 165 V CA 1.243 63.721 62.300 0.297 0.000 1.036 165 V CB -0.670 31.328 31.823 0.292 0.000 0.664 165 V HN 0.380 nan 8.190 nan 0.000 0.453 166 F N 0.109 120.246 119.950 0.312 0.000 2.134 166 F HA -0.148 4.379 4.527 0.000 0.000 0.299 166 F C 2.129 178.079 175.800 0.250 0.000 1.097 166 F CA 1.682 59.908 58.000 0.378 0.000 1.264 166 F CB -0.111 39.098 39.000 0.348 0.000 1.001 166 F HN 0.021 nan 8.300 nan 0.000 0.479 167 I N -0.257 120.589 120.570 0.459 0.000 2.567 167 I HA -0.296 3.874 4.170 0.000 0.000 0.257 167 I C 1.921 178.137 176.117 0.165 0.000 1.184 167 I CA 1.261 62.780 61.300 0.365 0.000 1.451 167 I CB -0.209 38.015 38.000 0.373 0.000 1.089 167 I HN 0.321 nan 8.210 nan 0.000 0.441 168 Q N -0.355 119.509 119.800 0.105 0.000 2.302 168 Q HA -0.194 4.146 4.340 0.000 0.000 0.202 168 Q C 1.846 177.777 176.000 -0.116 0.000 0.936 168 Q CA 0.804 56.593 55.803 -0.024 0.000 0.886 168 Q CB 0.190 28.940 28.738 0.020 0.000 0.986 168 Q HN 0.323 nan 8.270 nan 0.000 0.487 169 E N 0.981 121.070 120.200 -0.185 0.000 2.107 169 E HA -0.113 4.237 4.350 0.000 0.000 0.191 169 E C 1.676 178.083 176.600 -0.322 0.000 0.982 169 E CA 0.837 56.976 56.400 -0.436 0.000 0.809 169 E CB -0.030 28.993 29.700 -1.129 0.000 0.756 169 E HN 0.254 nan 8.360 nan 0.000 0.459 170 L N -0.124 120.999 121.223 -0.166 0.000 2.027 170 L HA -0.112 4.228 4.340 0.000 0.000 0.206 170 L C 2.467 179.353 176.870 0.027 0.000 1.074 170 L CA 0.959 55.816 54.840 0.027 0.000 0.745 170 L CB -0.410 41.822 42.059 0.288 0.000 0.898 170 L HN 0.175 nan 8.230 nan 0.000 0.433 171 I N 0.310 120.794 120.570 -0.144 0.000 2.151 171 I HA -0.375 3.795 4.170 0.000 0.000 0.243 171 I C 2.416 178.427 176.117 -0.177 0.000 1.080 171 I CA 1.839 62.928 61.300 -0.353 0.000 1.339 171 I CB -0.275 37.395 38.000 -0.550 0.000 1.039 171 I HN 0.384 nan 8.210 nan 0.000 0.409 172 N N 0.860 119.464 118.700 -0.161 0.000 2.084 172 N HA -0.188 4.552 4.740 0.000 0.000 0.190 172 N C 1.550 177.004 175.510 -0.094 0.000 1.030 172 N CA 1.716 54.689 53.050 -0.128 0.000 0.849 172 N CB -0.096 38.305 38.487 -0.142 0.000 1.012 172 N HN 0.214 nan 8.380 nan 0.000 0.423 173 N N 0.270 118.909 118.700 -0.101 0.000 2.062 173 N HA -0.079 4.661 4.740 0.000 0.000 0.191 173 N C 1.535 177.041 175.510 -0.007 0.000 1.042 173 N CA 1.073 54.084 53.050 -0.066 0.000 0.845 173 N CB -0.321 38.114 38.487 -0.088 0.000 1.024 173 N HN 0.282 nan 8.380 nan 0.000 0.424 174 I N 1.035 121.625 120.570 0.034 0.000 2.296 174 I HA 0.021 4.191 4.170 0.000 0.000 0.242 174 I C 2.310 178.490 176.117 0.105 0.000 1.087 174 I CA 0.543 61.897 61.300 0.089 0.000 1.393 174 I CB -1.576 36.513 38.000 0.147 0.000 1.093 174 I HN -0.012 nan 8.210 nan 0.000 0.421 175 A N 1.373 124.249 122.820 0.094 0.000 1.927 175 A HA -0.250 4.070 4.320 0.000 0.000 0.220 175 A C 2.327 179.964 177.584 0.089 0.000 1.185 175 A CA 1.897 53.991 52.037 0.096 0.000 0.639 175 A CB -0.533 18.485 19.000 0.032 0.000 0.820 175 A HN 0.409 nan 8.150 nan 0.000 0.451 176 K N -0.733 119.692 120.400 0.041 0.000 2.044 176 K HA 0.068 4.388 4.320 0.000 0.000 0.204 176 K C 2.392 179.011 176.600 0.031 0.000 1.049 176 K CA 0.948 57.248 56.287 0.021 0.000 0.945 176 K CB -0.392 32.103 32.500 -0.007 0.000 0.724 176 K HN 0.414 nan 8.250 nan 0.000 0.440 177 A N 1.802 124.648 122.820 0.043 0.000 1.948 177 A HA -0.174 4.146 4.320 0.000 0.000 0.220 177 A C 1.096 178.721 177.584 0.069 0.000 1.177 177 A CA 0.996 53.060 52.037 0.046 0.000 0.636 177 A CB -0.850 18.181 19.000 0.051 0.000 0.815 177 A HN 0.355 nan 8.150 nan 0.000 0.449 178 H N -0.434 118.632 119.070 -0.007 0.000 2.886 178 H HA 0.229 4.785 4.556 0.000 0.000 0.329 178 H C 1.185 176.480 175.328 -0.055 0.000 1.044 178 H CA 0.515 56.551 56.048 -0.020 0.000 1.456 178 H CB 0.829 30.591 29.762 -0.001 0.000 1.464 178 H HN 0.159 nan 8.280 nan 0.000 0.573 179 G N 3.037 111.572 108.800 -0.441 0.000 3.284 179 G HA2 0.141 4.101 3.960 0.000 0.000 0.236 179 G HA3 0.141 4.101 3.960 0.000 0.000 0.236 179 G C 0.765 175.377 174.900 -0.480 0.000 1.158 179 G CA 0.362 45.251 45.100 -0.352 0.000 0.774 179 G HN 0.697 nan 8.290 nan 0.000 0.545 180 G N -0.119 108.263 108.800 -0.696 0.000 3.310 180 G HA2 0.569 4.529 3.960 0.000 0.000 0.176 180 G HA3 0.569 4.529 3.960 0.000 0.000 0.176 180 G C -0.896 173.752 174.900 -0.419 0.000 1.307 180 G CA -0.811 43.934 45.100 -0.591 0.000 0.935 180 G HN 0.031 nan 8.290 nan 0.000 0.628 181 F N -0.179 119.886 119.950 0.192 0.000 2.507 181 F HA 0.729 5.256 4.527 0.000 0.000 0.327 181 F C 0.500 176.277 175.800 -0.039 0.000 1.068 181 F CA -0.720 57.272 58.000 -0.013 0.000 0.965 181 F CB 2.413 41.234 39.000 -0.298 0.000 1.192 181 F HN 0.144 nan 8.300 nan 0.000 0.476 182 S N 0.759 116.530 115.700 0.119 0.000 2.513 182 S HA 0.861 5.331 4.470 0.000 0.000 0.299 182 S C -1.173 173.432 174.600 0.009 0.000 1.087 182 S CA -0.651 57.601 58.200 0.086 0.000 1.012 182 S CB 1.924 65.203 63.200 0.131 0.000 1.044 182 S HN 0.333 nan 8.310 nan 0.000 0.485 183 V N 3.167 123.126 119.914 0.076 0.000 2.841 183 V HA 0.667 4.787 4.120 0.000 0.000 0.310 183 V C -1.345 174.884 176.094 0.225 0.000 1.090 183 V CA -0.807 61.531 62.300 0.062 0.000 0.930 183 V CB 1.757 33.560 31.823 -0.033 0.000 1.014 183 V HN 0.830 nan 8.190 nan 0.000 0.425 184 F N 2.040 121.979 119.950 -0.018 0.000 2.573 184 F HA 0.744 5.271 4.527 0.000 0.000 0.316 184 F C -0.283 175.396 175.800 -0.201 0.000 1.148 184 F CA 0.002 57.981 58.000 -0.034 0.000 0.940 184 F CB 2.239 41.197 39.000 -0.071 0.000 1.214 184 F HN 0.512 nan 8.300 nan 0.000 0.448 185 T N 4.301 118.461 114.554 -0.657 0.000 2.792 185 T HA 0.613 4.963 4.350 0.000 0.000 0.280 185 T C 0.029 174.246 174.700 -0.804 0.000 0.990 185 T CA -0.665 61.083 62.100 -0.587 0.000 0.960 185 T CB 1.480 70.141 68.868 -0.346 0.000 0.939 185 T HN 0.900 nan 8.240 nan 0.000 0.439 186 G N 1.539 110.047 108.800 -0.487 0.000 2.325 186 G HA2 0.544 4.504 3.960 0.000 0.000 0.298 186 G HA3 0.544 4.504 3.960 0.000 0.000 0.298 186 G C -0.710 174.221 174.900 0.052 0.000 1.134 186 G CA -0.460 44.658 45.100 0.031 0.000 0.876 186 G HN 0.682 nan 8.290 nan 0.000 0.452 187 V N 2.068 122.003 119.914 0.035 0.000 2.444 187 V HA 0.625 4.745 4.120 0.000 0.000 0.294 187 V C 1.085 177.221 176.094 0.070 0.000 1.022 187 V CA 0.113 62.437 62.300 0.040 0.000 0.850 187 V CB 1.013 32.835 31.823 -0.002 0.000 0.992 187 V HN 1.450 nan 8.190 nan 0.000 0.426 188 G N 3.699 112.539 108.800 0.068 0.000 2.337 188 G HA2 -0.260 3.700 3.960 0.000 0.000 0.290 188 G HA3 -0.260 3.700 3.960 0.000 0.000 0.290 188 G C 0.170 175.103 174.900 0.055 0.000 1.003 188 G CA 1.258 46.384 45.100 0.043 0.000 0.825 188 G HN 0.956 nan 8.290 nan 0.000 0.509 189 E N -1.513 118.744 120.200 0.096 0.000 2.568 189 E HA 0.744 5.094 4.350 0.000 0.000 0.242 189 E C 0.294 176.949 176.600 0.090 0.000 0.945 189 E CA -1.465 54.996 56.400 0.103 0.000 0.918 189 E CB 0.936 30.725 29.700 0.149 0.000 1.386 189 E HN 0.189 nan 8.360 nan 0.000 0.426 190 R N 0.360 120.911 120.500 0.086 0.000 2.401 190 R HA 0.138 4.478 4.340 0.000 0.000 0.299 190 R C 0.544 176.854 176.300 0.017 0.000 1.064 190 R CA 0.411 56.542 56.100 0.051 0.000 1.000 190 R CB 0.407 30.740 30.300 0.055 0.000 0.973 190 R HN 0.578 nan 8.270 nan 0.000 0.438 191 T N 2.975 117.518 114.554 -0.018 0.000 2.759 191 T HA -0.210 4.140 4.350 0.000 0.000 0.269 191 T C 1.713 176.350 174.700 -0.105 0.000 1.042 191 T CA 1.812 63.860 62.100 -0.087 0.000 1.140 191 T CB -0.129 68.698 68.868 -0.067 0.000 0.864 191 T HN 0.608 nan 8.240 nan 0.000 0.455 192 R N 2.055 122.527 120.500 -0.047 0.000 2.152 192 R HA -0.017 4.323 4.340 0.000 0.000 0.232 192 R C 1.887 178.168 176.300 -0.033 0.000 1.117 192 R CA 1.572 57.651 56.100 -0.035 0.000 0.981 192 R CB -0.557 29.740 30.300 -0.005 0.000 0.870 192 R HN 0.414 nan 8.270 nan 0.000 0.451 193 E N 0.247 120.440 120.200 -0.013 0.000 2.216 193 E HA 0.005 4.355 4.350 0.000 0.000 0.192 193 E C 2.082 178.660 176.600 -0.037 0.000 0.988 193 E CA 0.801 57.212 56.400 0.017 0.000 0.834 193 E CB -0.085 29.668 29.700 0.087 0.000 0.772 193 E HN 0.647 nan 8.360 nan 0.000 0.479 194 G N 1.788 110.483 108.800 -0.174 0.000 2.418 194 G HA2 -0.332 3.628 3.960 0.000 0.000 0.217 194 G HA3 -0.332 3.628 3.960 0.000 0.000 0.217 194 G C 1.486 176.109 174.900 -0.461 0.000 1.158 194 G CA 1.076 45.803 45.100 -0.622 0.000 0.771 194 G HN 0.171 nan 8.290 nan 0.000 0.545 195 N N 0.814 119.366 118.700 -0.248 0.000 2.058 195 N HA -0.104 4.636 4.740 0.000 0.000 0.191 195 N C 1.804 177.297 175.510 -0.028 0.000 1.037 195 N CA 1.608 54.601 53.050 -0.096 0.000 0.848 195 N CB -0.251 38.197 38.487 -0.065 0.000 1.021 195 N HN 0.114 nan 8.380 nan 0.000 0.422 196 D N 0.215 120.592 120.400 -0.038 0.000 2.126 196 D HA -0.201 4.439 4.640 0.000 0.000 0.190 196 D C 2.015 178.297 176.300 -0.030 0.000 1.001 196 D CA 1.011 54.996 54.000 -0.026 0.000 0.841 196 D CB -0.569 40.225 40.800 -0.009 0.000 0.949 196 D HN 0.284 nan 8.370 nan 0.000 0.446 197 L N -0.059 121.147 121.223 -0.029 0.000 2.012 197 L HA -0.244 4.096 4.340 0.000 0.000 0.210 197 L C 2.448 179.313 176.870 -0.008 0.000 1.073 197 L CA 1.515 56.318 54.840 -0.062 0.000 0.748 197 L CB -0.627 41.350 42.059 -0.137 0.000 0.891 197 L HN 0.043 nan 8.230 nan 0.000 0.431 198 Y N 0.475 120.728 120.300 -0.078 0.000 2.165 198 Y HA -0.297 4.253 4.550 0.000 0.000 0.286 198 Y C 2.842 178.710 175.900 -0.053 0.000 1.155 198 Y CA 2.255 60.328 58.100 -0.045 0.000 1.164 198 Y CB -0.382 38.069 38.460 -0.015 0.000 0.978 198 Y HN 0.224 nan 8.280 nan 0.000 0.513 199 R N 0.321 120.723 120.500 -0.163 0.000 2.075 199 R HA -0.108 4.232 4.340 0.000 0.000 0.226 199 R C 2.029 178.225 176.300 -0.173 0.000 1.114 199 R CA 1.538 57.495 56.100 -0.237 0.000 0.972 199 R CB -0.255 29.963 30.300 -0.136 0.000 0.869 199 R HN 0.437 nan 8.270 nan 0.000 0.437 200 E N -0.052 120.076 120.200 -0.120 0.000 2.333 200 E HA -0.163 4.187 4.350 0.000 0.000 0.198 200 E C 1.801 178.331 176.600 -0.117 0.000 1.007 200 E CA 0.984 57.319 56.400 -0.109 0.000 0.845 200 E CB 0.073 29.718 29.700 -0.093 0.000 0.766 200 E HN 0.411 nan 8.360 nan 0.000 0.507 201 M N -0.154 119.370 119.600 -0.127 0.000 2.476 201 M HA -0.042 4.438 4.480 0.000 0.000 0.262 201 M C 1.753 177.984 176.300 -0.117 0.000 1.111 201 M CA 0.760 55.993 55.300 -0.112 0.000 1.127 201 M CB 0.227 32.780 32.600 -0.078 0.000 1.376 201 M HN -0.062 nan 8.290 nan 0.000 0.465 202 K N 0.459 120.759 120.400 -0.167 0.000 2.001 202 K HA -0.153 4.167 4.320 0.000 0.000 0.208 202 K C 1.648 178.183 176.600 -0.108 0.000 1.048 202 K CA 1.311 57.502 56.287 -0.161 0.000 0.932 202 K CB -0.130 32.233 32.500 -0.229 0.000 0.715 202 K HN 0.324 nan 8.250 nan 0.000 0.437 203 E N 0.140 120.277 120.200 -0.104 0.000 2.265 203 E HA -0.114 4.236 4.350 0.000 0.000 0.196 203 E C 1.572 178.132 176.600 -0.067 0.000 0.996 203 E CA 1.327 57.678 56.400 -0.080 0.000 0.832 203 E CB 0.053 29.706 29.700 -0.079 0.000 0.756 203 E HN 0.378 nan 8.360 nan 0.000 0.491 204 T N -1.778 112.734 114.554 -0.070 0.000 2.995 204 T HA 0.039 4.389 4.350 0.000 0.000 0.269 204 T C 1.589 176.260 174.700 -0.047 0.000 1.091 204 T CA 0.726 62.791 62.100 -0.059 0.000 1.128 204 T CB 0.224 69.053 68.868 -0.065 0.000 0.891 204 T HN 0.366 nan 8.240 nan 0.000 0.492 205 G N 0.306 109.078 108.800 -0.048 0.000 2.195 205 G HA2 -0.300 3.660 3.960 0.000 0.000 0.224 205 G HA3 -0.300 3.660 3.960 0.000 0.000 0.224 205 G C 1.016 175.902 174.900 -0.023 0.000 0.990 205 G CA 0.113 45.193 45.100 -0.034 0.000 0.639 205 G HN 0.427 nan 8.290 nan 0.000 0.514 206 V N 0.624 120.521 119.914 -0.028 0.000 2.332 206 V HA 0.071 4.191 4.120 0.000 0.000 0.248 206 V C 1.528 177.627 176.094 0.009 0.000 1.055 206 V CA 2.041 64.334 62.300 -0.012 0.000 1.038 206 V CB -0.230 31.576 31.823 -0.027 0.000 0.651 206 V HN 0.499 nan 8.190 nan 0.000 0.450 207 I N 1.192 121.762 120.570 -0.000 0.000 2.437 207 I HA 0.338 4.508 4.170 0.000 0.000 0.279 207 I C -0.531 175.590 176.117 0.005 0.000 1.028 207 I CA -0.207 61.112 61.300 0.032 0.000 1.142 207 I CB 1.148 39.202 38.000 0.089 0.000 1.266 207 I HN 0.089 nan 8.210 nan 0.000 0.461 208 N N 6.212 124.924 118.700 0.021 0.000 2.479 208 N HA 0.373 5.113 4.740 0.000 0.000 0.261 208 N C 0.550 176.079 175.510 0.032 0.000 0.979 208 N CA -0.431 52.626 53.050 0.011 0.000 0.930 208 N CB 1.437 39.927 38.487 0.005 0.000 1.172 208 N HN 0.548 nan 8.380 nan 0.000 0.499 209 L N 1.995 123.239 121.223 0.035 0.000 2.131 209 L HA -0.066 4.274 4.340 0.000 0.000 0.210 209 L C 1.226 178.117 176.870 0.035 0.000 1.092 209 L CA 1.195 56.065 54.840 0.049 0.000 0.759 209 L CB 0.013 42.107 42.059 0.057 0.000 0.903 209 L HN 0.650 nan 8.230 nan 0.000 0.435 210 E N -0.924 119.290 120.200 0.023 0.000 2.489 210 E HA 0.093 4.443 4.350 0.000 0.000 0.193 210 E C 0.949 177.560 176.600 0.019 0.000 1.057 210 E CA 0.309 56.720 56.400 0.018 0.000 0.866 210 E CB 0.480 30.187 29.700 0.011 0.000 0.916 210 E HN 0.527 nan 8.360 nan 0.000 0.500 211 G N 0.636 109.450 108.800 0.023 0.000 3.255 211 G HA2 0.073 4.033 3.960 0.000 0.000 0.161 211 G HA3 0.073 4.033 3.960 0.000 0.000 0.161 211 G C -0.899 174.022 174.900 0.035 0.000 1.173 211 G CA -0.691 44.424 45.100 0.025 0.000 1.106 211 G HN -0.071 nan 8.290 nan 0.000 0.650 212 E N 0.481 120.702 120.200 0.034 0.000 2.404 212 E HA 0.539 4.889 4.350 0.000 0.000 0.261 212 E C -0.711 175.922 176.600 0.054 0.000 1.074 212 E CA 0.407 56.834 56.400 0.046 0.000 0.917 212 E CB 1.369 31.090 29.700 0.036 0.000 0.965 212 E HN 0.211 nan 8.360 nan 0.000 0.433 213 S N 0.551 116.298 115.700 0.077 0.000 2.537 213 S HA 0.270 4.740 4.470 0.000 0.000 0.271 213 S C 0.093 174.767 174.600 0.123 0.000 1.148 213 S CA -0.737 57.514 58.200 0.086 0.000 0.868 213 S CB 1.669 64.922 63.200 0.088 0.000 1.115 213 S HN 0.396 nan 8.310 nan 0.000 0.461 214 K N 0.501 120.967 120.400 0.110 0.000 2.440 214 K HA 0.382 4.702 4.320 0.000 0.000 0.207 214 K C -0.446 176.234 176.600 0.133 0.000 1.112 214 K CA 0.184 56.559 56.287 0.147 0.000 1.036 214 K CB 1.494 34.045 32.500 0.085 0.000 0.935 214 K HN 0.298 nan 8.250 nan 0.000 0.564 215 V N 0.645 120.607 119.914 0.080 0.000 2.760 215 V HA 0.727 4.847 4.120 0.000 0.000 0.309 215 V C -1.752 174.361 176.094 0.032 0.000 1.077 215 V CA -0.833 61.492 62.300 0.041 0.000 0.910 215 V CB 1.716 33.559 31.823 0.035 0.000 1.008 215 V HN 0.113 nan 8.190 nan 0.000 0.424 216 A N 7.073 129.893 122.820 -0.000 0.000 2.305 216 A HA 0.881 5.202 4.320 0.000 0.000 0.322 216 A C -0.972 176.621 177.584 0.015 0.000 1.187 216 A CA -0.597 51.449 52.037 0.015 0.000 0.825 216 A CB 0.798 19.812 19.000 0.023 0.000 1.164 216 A HN 0.895 nan 8.150 nan 0.000 0.498 217 L N 2.568 123.790 121.223 -0.002 0.000 2.341 217 L HA 0.667 5.007 4.340 0.000 0.000 0.278 217 L C -0.961 175.838 176.870 -0.119 0.000 1.005 217 L CA -0.888 53.920 54.840 -0.054 0.000 0.818 217 L CB 1.932 43.993 42.059 0.004 0.000 1.259 217 L HN 0.413 nan 8.230 nan 0.000 0.418 218 V N 2.741 122.489 119.914 -0.277 0.000 2.638 218 V HA 0.513 4.633 4.120 0.000 0.000 0.306 218 V C -0.958 174.875 176.094 -0.434 0.000 1.052 218 V CA -0.495 61.670 62.300 -0.226 0.000 0.885 218 V CB 1.988 33.729 31.823 -0.137 0.000 0.999 218 V HN 0.391 nan 8.190 nan 0.000 0.424 219 F N 1.778 121.750 119.950 0.036 0.000 2.540 219 F HA 0.793 5.320 4.527 0.000 0.000 0.317 219 F C 0.666 176.478 175.800 0.021 0.000 1.104 219 F CA -0.672 57.355 58.000 0.044 0.000 0.913 219 F CB 2.596 41.625 39.000 0.049 0.000 1.170 219 F HN 0.567 nan 8.300 nan 0.000 0.450 220 G N 3.527 112.458 108.800 0.218 0.000 4.142 220 G HA2 0.304 4.264 3.960 0.000 0.000 0.310 220 G HA3 0.304 4.264 3.960 0.000 0.000 0.310 220 G C -0.640 174.335 174.900 0.125 0.000 1.384 220 G CA -0.479 44.698 45.100 0.128 0.000 0.838 220 G HN 0.311 nan 8.290 nan 0.000 0.512 221 Q N 0.695 120.578 119.800 0.139 0.000 2.397 221 Q HA 0.196 4.536 4.340 0.000 0.000 0.193 221 Q C 2.141 178.176 176.000 0.059 0.000 1.083 221 Q CA -0.484 55.386 55.803 0.112 0.000 1.108 221 Q CB 0.433 29.223 28.738 0.086 0.000 1.172 221 Q HN 0.674 nan 8.270 nan 0.000 0.617 222 M N -0.307 119.320 119.600 0.044 0.000 2.632 222 M HA -0.048 4.432 4.480 0.000 0.000 0.256 222 M C 0.789 177.096 176.300 0.012 0.000 1.080 222 M CA 1.285 56.597 55.300 0.021 0.000 1.084 222 M CB -0.423 32.187 32.600 0.017 0.000 1.439 222 M HN 0.358 nan 8.290 nan 0.000 0.509 223 N N 0.844 119.553 118.700 0.015 0.000 2.422 223 N HA 0.040 4.780 4.740 0.000 0.000 0.181 223 N C -0.324 175.191 175.510 0.009 0.000 1.080 223 N CA 0.246 53.301 53.050 0.009 0.000 0.893 223 N CB -0.099 38.392 38.487 0.007 0.000 0.973 223 N HN 0.551 nan 8.380 nan 0.000 0.456 224 E N 0.988 121.196 120.200 0.014 0.000 2.248 224 E HA 0.394 4.744 4.350 0.000 0.000 0.272 224 E C -2.396 174.207 176.600 0.005 0.000 1.008 224 E CA -2.167 54.240 56.400 0.013 0.000 0.856 224 E CB 0.914 30.628 29.700 0.023 0.000 1.120 224 E HN 0.117 nan 8.360 nan 0.000 0.397 225 P HA -0.065 nan 4.420 nan 0.000 0.269 225 P C -1.990 175.304 177.300 -0.009 0.000 1.217 225 P CA -0.843 62.255 63.100 -0.003 0.000 0.783 225 P CB -0.087 31.613 31.700 0.000 0.000 0.898 226 P HA -0.289 nan 4.420 nan 0.000 0.219 226 P C 1.535 178.819 177.300 -0.027 0.000 1.161 226 P CA 2.428 65.507 63.100 -0.034 0.000 0.909 226 P CB -0.772 30.905 31.700 -0.039 0.000 0.793 227 G N 0.287 109.079 108.800 -0.013 0.000 2.553 227 G HA2 -0.322 3.638 3.960 0.000 0.000 0.218 227 G HA3 -0.322 3.638 3.960 0.000 0.000 0.218 227 G C 1.817 176.726 174.900 0.015 0.000 1.195 227 G CA 1.912 47.013 45.100 0.002 0.000 0.779 227 G HN 0.422 nan 8.290 nan 0.000 0.577 228 A N 0.394 123.223 122.820 0.016 0.000 1.883 228 A HA -0.085 4.235 4.320 0.000 0.000 0.217 228 A C 2.418 180.019 177.584 0.029 0.000 1.186 228 A CA 2.076 54.127 52.037 0.024 0.000 0.624 228 A CB -0.510 18.504 19.000 0.023 0.000 0.822 228 A HN 0.360 nan 8.150 nan 0.000 0.444 229 R N -0.843 119.669 120.500 0.019 0.000 2.120 229 R HA -0.052 4.288 4.340 0.000 0.000 0.234 229 R C 2.328 178.652 176.300 0.039 0.000 1.123 229 R CA 1.209 57.322 56.100 0.021 0.000 0.975 229 R CB -0.325 29.972 30.300 -0.004 0.000 0.866 229 R HN 0.531 nan 8.270 nan 0.000 0.446 230 A N 0.384 123.217 122.820 0.022 0.000 1.897 230 A HA -0.071 4.249 4.320 0.000 0.000 0.215 230 A C 1.842 179.547 177.584 0.202 0.000 1.181 230 A CA 0.960 53.021 52.037 0.040 0.000 0.620 230 A CB -0.106 18.845 19.000 -0.082 0.000 0.821 230 A HN 0.109 nan 8.150 nan 0.000 0.443 231 R N -0.750 119.823 120.500 0.121 0.000 2.246 231 R HA 0.061 4.401 4.340 0.000 0.000 0.199 231 R C 1.885 178.211 176.300 0.043 0.000 0.984 231 R CA 0.944 57.109 56.100 0.108 0.000 1.015 231 R CB -1.129 29.218 30.300 0.079 0.000 0.930 231 R HN 0.411 nan 8.270 nan 0.000 0.475 232 V N 1.454 121.392 119.914 0.038 0.000 2.594 232 V HA -0.190 3.930 4.120 0.000 0.000 0.253 232 V C 2.113 178.181 176.094 -0.043 0.000 1.069 232 V CA 1.918 64.217 62.300 -0.002 0.000 1.082 232 V CB -0.370 31.461 31.823 0.014 0.000 0.680 232 V HN 0.294 nan 8.190 nan 0.000 0.469 233 A N -0.141 122.657 122.820 -0.036 0.000 1.898 233 A HA -0.110 4.210 4.320 0.000 0.000 0.216 233 A C 2.094 179.587 177.584 -0.152 0.000 1.181 233 A CA 1.962 53.926 52.037 -0.123 0.000 0.620 233 A CB -0.568 18.324 19.000 -0.179 0.000 0.819 233 A HN 0.573 nan 8.150 nan 0.000 0.442 234 L N -0.553 120.594 121.223 -0.127 0.000 2.042 234 L HA -0.184 4.156 4.340 0.000 0.000 0.210 234 L C 2.770 179.564 176.870 -0.126 0.000 1.076 234 L CA 1.746 56.504 54.840 -0.137 0.000 0.749 234 L CB -1.116 40.859 42.059 -0.141 0.000 0.893 234 L HN 0.333 nan 8.230 nan 0.000 0.432 235 T N -0.111 114.377 114.554 -0.109 0.000 2.529 235 T HA -0.194 4.156 4.350 0.000 0.000 0.261 235 T C 1.744 176.400 174.700 -0.075 0.000 1.110 235 T CA 1.683 63.729 62.100 -0.090 0.000 1.192 235 T CB -0.857 67.970 68.868 -0.068 0.000 0.864 235 T HN 0.550 nan 8.240 nan 0.000 0.407 236 G N 0.637 109.387 108.800 -0.082 0.000 2.586 236 G HA2 0.004 3.964 3.960 0.000 0.000 0.215 236 G HA3 0.004 3.964 3.960 0.000 0.000 0.215 236 G C 1.442 176.308 174.900 -0.056 0.000 1.128 236 G CA 0.625 45.681 45.100 -0.073 0.000 0.774 236 G HN 0.450 nan 8.290 nan 0.000 0.543 237 L N -0.469 120.711 121.223 -0.072 0.000 2.253 237 L HA 0.214 4.554 4.340 0.000 0.000 0.205 237 L C 2.554 179.412 176.870 -0.020 0.000 1.078 237 L CA 1.904 56.708 54.840 -0.061 0.000 0.805 237 L CB -0.671 41.324 42.059 -0.107 0.000 0.963 237 L HN 0.014 nan 8.230 nan 0.000 0.459 238 T N 0.561 115.095 114.554 -0.032 0.000 2.897 238 T HA -0.103 4.247 4.350 0.000 0.000 0.271 238 T C 1.926 176.646 174.700 0.033 0.000 1.084 238 T CA 2.007 64.101 62.100 -0.010 0.000 1.123 238 T CB -0.477 68.367 68.868 -0.039 0.000 0.865 238 T HN 0.366 nan 8.240 nan 0.000 0.496 239 I N 1.168 121.763 120.570 0.043 0.000 2.353 239 I HA -0.052 4.118 4.170 0.000 0.000 0.248 239 I C 2.804 179.097 176.117 0.294 0.000 1.119 239 I CA 0.985 62.352 61.300 0.112 0.000 1.417 239 I CB -0.390 37.674 38.000 0.106 0.000 1.078 239 I HN 0.194 nan 8.210 nan 0.000 0.421 240 A N 0.118 123.068 122.820 0.216 0.000 2.169 240 A HA -0.053 4.267 4.320 0.000 0.000 0.212 240 A C 2.063 179.767 177.584 0.200 0.000 1.153 240 A CA 0.657 52.845 52.037 0.252 0.000 0.756 240 A CB -0.342 18.709 19.000 0.085 0.000 0.813 240 A HN 0.371 nan 8.150 nan 0.000 0.471 241 E N -1.641 118.637 120.200 0.130 0.000 2.158 241 E HA -0.129 4.221 4.350 0.000 0.000 0.191 241 E C 1.552 178.204 176.600 0.085 0.000 0.982 241 E CA 0.919 57.367 56.400 0.080 0.000 0.823 241 E CB -0.203 29.519 29.700 0.036 0.000 0.766 241 E HN 0.793 nan 8.360 nan 0.000 0.468 242 Y N 0.329 120.607 120.300 -0.037 0.000 2.089 242 Y HA -0.264 4.286 4.550 0.000 0.000 0.282 242 Y C 1.790 177.617 175.900 -0.120 0.000 1.139 242 Y CA 1.656 59.672 58.100 -0.140 0.000 1.123 242 Y CB -0.259 38.022 38.460 -0.298 0.000 0.980 242 Y HN -0.047 nan 8.280 nan 0.000 0.493 243 F N 0.350 120.424 119.950 0.206 0.000 2.225 243 F HA -0.267 4.260 4.527 0.000 0.000 0.302 243 F C 2.640 178.500 175.800 0.099 0.000 1.068 243 F CA 1.993 60.070 58.000 0.128 0.000 1.327 243 F CB -0.491 38.556 39.000 0.078 0.000 1.043 243 F HN 0.059 nan 8.300 nan 0.000 0.506 244 R N 0.239 120.864 120.500 0.209 0.000 2.052 244 R HA -0.090 4.250 4.340 0.000 0.000 0.224 244 R C 1.790 178.101 176.300 0.018 0.000 1.149 244 R CA 1.662 57.827 56.100 0.109 0.000 0.962 244 R CB -0.244 30.100 30.300 0.072 0.000 0.856 244 R HN 0.107 nan 8.270 nan 0.000 0.433 245 D N 0.349 120.714 120.400 -0.058 0.000 2.113 245 D HA -0.089 4.551 4.640 0.000 0.000 0.206 245 D C 1.642 177.806 176.300 -0.227 0.000 0.979 245 D CA 1.026 54.948 54.000 -0.129 0.000 0.862 245 D CB -0.092 40.621 40.800 -0.145 0.000 1.013 245 D HN 0.188 nan 8.370 nan 0.000 0.455 246 E N 0.290 120.200 120.200 -0.484 0.000 2.478 246 E HA -0.035 4.315 4.350 0.000 0.000 0.194 246 E C 1.407 177.723 176.600 -0.474 0.000 1.045 246 E CA 0.244 56.239 56.400 -0.676 0.000 0.868 246 E CB 0.534 29.412 29.700 -1.370 0.000 0.885 246 E HN 0.215 nan 8.360 nan 0.000 0.505 247 E N 0.024 120.067 120.200 -0.261 0.000 2.364 247 E HA 0.077 4.427 4.350 0.000 0.000 0.196 247 E C 0.969 177.600 176.600 0.052 0.000 0.990 247 E CA 0.790 57.193 56.400 0.005 0.000 0.886 247 E CB 0.185 29.984 29.700 0.166 0.000 0.866 247 E HN 0.217 nan 8.360 nan 0.000 0.493 248 G N 1.035 109.843 108.800 0.012 0.000 2.221 248 G HA2 -0.353 3.607 3.960 0.000 0.000 0.265 248 G HA3 -0.353 3.607 3.960 0.000 0.000 0.265 248 G C 0.152 175.100 174.900 0.081 0.000 1.041 248 G CA 0.947 46.064 45.100 0.028 0.000 0.807 248 G HN 0.390 nan 8.290 nan 0.000 0.502 249 Q N -1.229 118.659 119.800 0.147 0.000 3.017 249 Q HA 0.572 4.912 4.340 0.000 0.000 0.299 249 Q C -0.903 175.221 176.000 0.206 0.000 1.046 249 Q CA -0.877 55.043 55.803 0.195 0.000 0.821 249 Q CB 1.147 30.088 28.738 0.338 0.000 1.481 249 Q HN 0.201 nan 8.270 nan 0.000 0.494 250 D N -0.212 120.320 120.400 0.220 0.000 2.225 250 D HA 0.495 5.135 4.640 0.000 0.000 0.249 250 D C -1.298 175.202 176.300 0.333 0.000 1.052 250 D CA -0.034 54.118 54.000 0.253 0.000 0.909 250 D CB 1.541 42.520 40.800 0.299 0.000 1.186 250 D HN 0.201 nan 8.370 nan 0.000 0.431 251 V N 1.195 121.227 119.914 0.196 0.000 3.114 251 V HA 0.528 4.648 4.120 0.000 0.000 0.308 251 V C -0.754 175.292 176.094 -0.080 0.000 1.168 251 V CA -0.952 61.410 62.300 0.104 0.000 1.015 251 V CB 1.904 33.793 31.823 0.111 0.000 1.050 251 V HN 0.335 nan 8.190 nan 0.000 0.433 252 L N 3.171 124.327 121.223 -0.111 0.000 2.404 252 L HA 0.606 4.946 4.340 0.000 0.000 0.272 252 L C -1.173 175.617 176.870 -0.134 0.000 0.980 252 L CA -0.383 54.342 54.840 -0.192 0.000 0.836 252 L CB 1.857 43.835 42.059 -0.135 0.000 1.238 252 L HN 0.500 nan 8.230 nan 0.000 0.408 253 L N 3.736 124.799 121.223 -0.266 0.000 2.280 253 L HA 0.582 4.922 4.340 0.000 0.000 0.287 253 L C -1.260 175.393 176.870 -0.361 0.000 1.023 253 L CA 0.233 54.954 54.840 -0.198 0.000 0.819 253 L CB 0.795 42.755 42.059 -0.166 0.000 1.212 253 L HN 0.238 nan 8.230 nan 0.000 0.420 254 F N 6.036 125.911 119.950 -0.124 0.000 2.426 254 F HA 0.572 5.099 4.527 0.000 0.000 0.348 254 F C -0.061 175.476 175.800 -0.438 0.000 1.124 254 F CA -0.446 57.454 58.000 -0.167 0.000 1.008 254 F CB 1.250 40.297 39.000 0.078 0.000 1.139 254 F HN 0.223 nan 8.300 nan 0.000 0.452 255 I N 2.937 123.371 120.570 -0.225 0.000 2.465 255 I HA 0.417 4.587 4.170 0.000 0.000 0.291 255 I C -1.261 174.720 176.117 -0.227 0.000 1.014 255 I CA -0.623 60.484 61.300 -0.321 0.000 1.093 255 I CB 2.033 39.885 38.000 -0.248 0.000 1.267 255 I HN 0.410 nan 8.210 nan 0.000 0.431 256 D N 5.592 125.843 120.400 -0.250 0.000 2.470 256 D HA 0.227 4.867 4.640 0.000 0.000 0.233 256 D C -1.663 174.638 176.300 0.003 0.000 1.372 256 D CA -0.336 53.635 54.000 -0.048 0.000 0.994 256 D CB 1.306 42.156 40.800 0.083 0.000 1.377 256 D HN 0.430 nan 8.370 nan 0.000 0.586 257 N N 4.006 122.732 118.700 0.043 0.000 2.296 257 N HA 0.235 4.975 4.740 0.000 0.000 0.294 257 N C 0.559 176.108 175.510 0.064 0.000 1.033 257 N CA -0.494 52.597 53.050 0.068 0.000 0.839 257 N CB 1.809 40.388 38.487 0.154 0.000 1.395 257 N HN 0.431 nan 8.380 nan 0.000 0.479 258 I N 3.673 124.259 120.570 0.027 0.000 3.001 258 I HA -0.060 4.110 4.170 0.000 0.000 0.268 258 I C 1.497 177.706 176.117 0.154 0.000 1.267 258 I CA 0.632 61.944 61.300 0.020 0.000 1.472 258 I CB -0.330 37.615 38.000 -0.091 0.000 1.089 258 I HN 0.555 nan 8.210 nan 0.000 0.468 259 F N 1.403 121.394 119.950 0.068 0.000 2.146 259 F HA -0.131 4.396 4.527 0.000 0.000 0.298 259 F C 2.295 178.171 175.800 0.128 0.000 1.096 259 F CA 1.330 59.407 58.000 0.127 0.000 1.275 259 F CB -0.392 38.723 39.000 0.192 0.000 1.008 259 F HN -0.034 nan 8.300 nan 0.000 0.480 260 R N 0.040 120.459 120.500 -0.134 0.000 2.159 260 R HA -0.216 4.124 4.340 0.000 0.000 0.237 260 R C 2.157 178.361 176.300 -0.160 0.000 1.131 260 R CA 1.345 57.297 56.100 -0.247 0.000 0.982 260 R CB -1.893 28.371 30.300 -0.061 0.000 0.868 260 R HN 0.455 nan 8.270 nan 0.000 0.453 261 F N 2.026 121.874 119.950 -0.171 0.000 2.075 261 F HA -0.207 4.320 4.527 0.000 0.000 0.297 261 F C 2.038 177.759 175.800 -0.132 0.000 1.113 261 F CA 1.931 59.858 58.000 -0.120 0.000 1.218 261 F CB -0.507 38.441 39.000 -0.086 0.000 0.984 261 F HN -0.097 nan 8.300 nan 0.000 0.472 262 T N 0.340 114.801 114.554 -0.155 0.000 2.777 262 T HA -0.234 4.116 4.350 0.000 0.000 0.266 262 T C 1.860 176.418 174.700 -0.236 0.000 1.040 262 T CA 1.448 63.426 62.100 -0.203 0.000 1.141 262 T CB -0.454 68.435 68.868 0.034 0.000 0.868 262 T HN 0.450 nan 8.240 nan 0.000 0.444 263 Q N 1.086 120.598 119.800 -0.481 0.000 1.985 263 Q HA -0.208 4.132 4.340 0.000 0.000 0.207 263 Q C 2.510 178.362 176.000 -0.246 0.000 0.996 263 Q CA 2.002 57.536 55.803 -0.448 0.000 0.851 263 Q CB -0.447 27.815 28.738 -0.793 0.000 0.921 263 Q HN 0.509 nan 8.270 nan 0.000 0.418 264 A N 0.337 123.004 122.820 -0.256 0.000 1.986 264 A HA -0.162 4.158 4.320 0.000 0.000 0.220 264 A C 2.240 179.719 177.584 -0.175 0.000 1.171 264 A CA 1.749 53.677 52.037 -0.181 0.000 0.640 264 A CB -1.361 17.546 19.000 -0.156 0.000 0.811 264 A HN 0.681 nan 8.150 nan 0.000 0.451 265 G N -1.271 107.386 108.800 -0.239 0.000 2.422 265 G HA2 -0.178 3.782 3.960 0.000 0.000 0.218 265 G HA3 -0.178 3.782 3.960 0.000 0.000 0.218 265 G C 1.856 176.699 174.900 -0.095 0.000 1.146 265 G CA 1.336 46.314 45.100 -0.203 0.000 0.769 265 G HN 0.531 nan 8.290 nan 0.000 0.547 266 S N -0.184 115.482 115.700 -0.057 0.000 2.436 266 S HA -0.008 4.462 4.470 0.000 0.000 0.228 266 S C 2.204 176.775 174.600 -0.049 0.000 1.014 266 S CA 1.095 59.282 58.200 -0.021 0.000 0.950 266 S CB -0.189 63.002 63.200 -0.015 0.000 0.784 266 S HN 0.561 nan 8.310 nan 0.000 0.504 267 E N 0.539 120.699 120.200 -0.066 0.000 2.058 267 E HA -0.142 4.208 4.350 0.000 0.000 0.194 267 E C 2.099 178.674 176.600 -0.042 0.000 0.997 267 E CA 1.864 58.231 56.400 -0.056 0.000 0.801 267 E CB -0.236 29.428 29.700 -0.060 0.000 0.746 267 E HN 0.623 nan 8.360 nan 0.000 0.450 268 V N -1.424 118.462 119.914 -0.046 0.000 3.052 268 V HA -0.037 4.083 4.120 0.000 0.000 0.254 268 V C 2.267 178.345 176.094 -0.026 0.000 1.100 268 V CA 1.250 63.529 62.300 -0.035 0.000 1.112 268 V CB 0.078 31.878 31.823 -0.039 0.000 0.738 268 V HN 0.092 nan 8.190 nan 0.000 0.469 269 S N 1.142 116.826 115.700 -0.026 0.000 2.402 269 S HA -0.190 4.280 4.470 0.000 0.000 0.233 269 S C 2.071 176.666 174.600 -0.008 0.000 1.030 269 S CA 1.923 60.115 58.200 -0.013 0.000 1.003 269 S CB -0.421 62.778 63.200 -0.001 0.000 0.813 269 S HN 0.900 nan 8.310 nan 0.000 0.477 270 A N 1.631 124.445 122.820 -0.011 0.000 1.832 270 A HA 0.106 4.426 4.320 0.000 0.000 0.214 270 A C 2.140 179.720 177.584 -0.006 0.000 1.200 270 A CA 1.444 53.476 52.037 -0.008 0.000 0.610 270 A CB -0.981 18.013 19.000 -0.011 0.000 0.842 270 A HN 0.560 nan 8.150 nan 0.000 0.444 271 L N -0.558 120.660 121.223 -0.008 0.000 2.265 271 L HA -0.089 4.251 4.340 0.000 0.000 0.215 271 L C 1.998 178.866 176.870 -0.004 0.000 1.117 271 L CA 0.501 55.337 54.840 -0.006 0.000 0.782 271 L CB -0.533 41.522 42.059 -0.007 0.000 0.914 271 L HN 0.308 nan 8.230 nan 0.000 0.441 272 L N 0.244 121.463 121.223 -0.005 0.000 2.610 272 L HA 0.112 4.452 4.340 0.000 0.000 0.232 272 L C 0.975 177.844 176.870 -0.001 0.000 1.149 272 L CA 0.270 55.107 54.840 -0.004 0.000 0.872 272 L CB -0.491 41.563 42.059 -0.007 0.000 0.992 272 L HN 0.427 nan 8.230 nan 0.000 0.447 273 G N 1.346 110.146 108.800 -0.000 0.000 2.546 273 G HA2 -0.237 3.723 3.960 0.000 0.000 0.285 273 G HA3 -0.237 3.723 3.960 0.000 0.000 0.285 273 G C -0.271 174.630 174.900 0.002 0.000 1.105 273 G CA -0.398 44.703 45.100 0.001 0.000 1.189 273 G HN 0.392 nan 8.290 nan 0.000 0.534 274 R N -0.158 120.343 120.500 0.002 0.000 2.673 274 R HA 0.530 4.870 4.340 0.000 0.000 0.281 274 R C 0.421 176.725 176.300 0.006 0.000 0.991 274 R CA -1.202 54.900 56.100 0.004 0.000 0.896 274 R CB 1.737 32.041 30.300 0.006 0.000 1.201 274 R HN 0.296 nan 8.270 nan 0.000 0.457 275 I N 4.212 124.786 120.570 0.006 0.000 2.517 275 I HA 0.130 4.300 4.170 0.000 0.000 0.285 275 I C -1.579 174.545 176.117 0.013 0.000 1.106 275 I CA -1.580 59.724 61.300 0.007 0.000 1.402 275 I CB 0.028 38.030 38.000 0.004 0.000 1.399 275 I HN 0.258 nan 8.210 nan 0.000 0.535 276 P HA 0.127 nan 4.420 nan 0.000 0.274 276 P C -0.136 177.183 177.300 0.031 0.000 1.237 276 P CA -0.359 62.758 63.100 0.028 0.000 0.793 276 P CB 1.292 33.003 31.700 0.019 0.000 0.977 277 S N 1.249 116.986 115.700 0.061 0.000 2.430 277 S HA 0.601 5.071 4.470 0.000 0.000 0.246 277 S C 0.454 175.074 174.600 0.034 0.000 1.155 277 S CA -0.345 57.884 58.200 0.048 0.000 1.054 277 S CB -0.502 62.738 63.200 0.066 0.000 1.154 277 S HN 0.647 nan 8.310 nan 0.000 0.482 278 A N -0.479 122.349 122.820 0.012 0.000 2.445 278 A HA 0.533 4.853 4.320 0.000 0.000 0.242 278 A C 0.067 177.691 177.584 0.066 0.000 1.075 278 A CA -0.228 51.723 52.037 -0.144 0.000 0.777 278 A CB -1.344 17.483 19.000 -0.289 0.000 1.013 278 A HN 1.232 nan 8.150 nan 0.000 0.493 279 F N -0.144 119.895 119.950 0.147 0.000 3.106 279 F HA -0.237 4.290 4.527 0.000 0.000 0.281 279 F C 1.478 177.286 175.800 0.014 0.000 0.869 279 F CA 1.782 59.861 58.000 0.131 0.000 1.014 279 F CB -1.778 37.362 39.000 0.233 0.000 1.131 279 F HN 1.845 nan 8.300 nan 0.000 0.546 280 G N -1.480 107.381 108.800 0.102 0.000 2.291 280 G HA2 -0.258 3.702 3.960 0.000 0.000 0.271 280 G HA3 -0.258 3.702 3.960 0.000 0.000 0.271 280 G C -0.360 174.466 174.900 -0.123 0.000 1.099 280 G CA -0.112 44.974 45.100 -0.023 0.000 0.919 280 G HN 0.551 nan 8.290 nan 0.000 0.496 281 Y N -0.360 119.994 120.300 0.090 0.000 2.621 281 Y HA 0.611 5.161 4.550 0.000 0.000 0.334 281 Y C 0.781 176.705 175.900 0.039 0.000 1.074 281 Y CA -0.861 57.286 58.100 0.079 0.000 1.149 281 Y CB 0.993 39.526 38.460 0.122 0.000 1.302 281 Y HN 0.424 nan 8.280 nan 0.000 0.501 282 Q N 2.046 121.995 119.800 0.248 0.000 2.352 282 Q HA 0.185 4.525 4.340 0.000 0.000 0.260 282 Q C -2.457 173.606 176.000 0.105 0.000 0.976 282 Q CA -1.631 54.243 55.803 0.119 0.000 0.881 282 Q CB 1.268 30.045 28.738 0.065 0.000 1.235 282 Q HN 0.367 nan 8.270 nan 0.000 0.419 283 P HA -0.117 nan 4.420 nan 0.000 0.218 283 P C 1.000 178.326 177.300 0.043 0.000 1.149 283 P CA 1.874 65.004 63.100 0.051 0.000 0.817 283 P CB -0.082 31.637 31.700 0.033 0.000 0.785 284 T N -3.277 111.297 114.554 0.034 0.000 3.227 284 T HA 0.002 4.352 4.350 0.000 0.000 0.257 284 T C 1.593 176.314 174.700 0.035 0.000 1.162 284 T CA 0.048 62.165 62.100 0.029 0.000 1.051 284 T CB -1.168 67.708 68.868 0.014 0.000 0.953 284 T HN 0.006 nan 8.240 nan 0.000 0.535 285 L N 0.550 121.795 121.223 0.037 0.000 1.997 285 L HA -0.192 4.148 4.340 0.000 0.000 0.216 285 L C 2.896 179.803 176.870 0.062 0.000 1.074 285 L CA 1.994 56.851 54.840 0.028 0.000 0.763 285 L CB -0.717 41.334 42.059 -0.014 0.000 0.890 285 L HN 0.451 nan 8.230 nan 0.000 0.434 286 A N -0.848 122.013 122.820 0.069 0.000 1.872 286 A HA -0.194 4.126 4.320 0.000 0.000 0.214 286 A C 2.313 179.968 177.584 0.120 0.000 1.187 286 A CA 2.041 54.140 52.037 0.102 0.000 0.614 286 A CB -1.106 17.943 19.000 0.081 0.000 0.826 286 A HN 0.595 nan 8.150 nan 0.000 0.442 287 T N -1.317 113.290 114.554 0.089 0.000 2.708 287 T HA -0.172 4.178 4.350 0.000 0.000 0.266 287 T C 1.372 176.133 174.700 0.101 0.000 1.037 287 T CA 1.616 63.767 62.100 0.085 0.000 1.146 287 T CB -0.641 68.262 68.868 0.058 0.000 0.865 287 T HN 0.355 nan 8.240 nan 0.000 0.435 288 D N 1.117 121.581 120.400 0.108 0.000 2.092 288 D HA -0.075 4.565 4.640 0.000 0.000 0.193 288 D C 2.028 178.473 176.300 0.242 0.000 0.994 288 D CA 1.218 55.318 54.000 0.166 0.000 0.828 288 D CB -0.546 40.318 40.800 0.106 0.000 0.963 288 D HN 0.373 nan 8.370 nan 0.000 0.450 289 M N 0.360 120.088 119.600 0.213 0.000 2.149 289 M HA -0.109 4.371 4.480 0.000 0.000 0.261 289 M C 2.006 178.241 176.300 -0.109 0.000 1.064 289 M CA 2.109 57.468 55.300 0.100 0.000 1.102 289 M CB -0.219 32.452 32.600 0.119 0.000 1.369 289 M HN 0.085 nan 8.290 nan 0.000 0.408 290 G N 0.167 109.006 108.800 0.065 0.000 2.422 290 G HA2 -0.167 3.793 3.960 0.000 0.000 0.218 290 G HA3 -0.167 3.793 3.960 0.000 0.000 0.218 290 G C 1.402 176.326 174.900 0.040 0.000 1.146 290 G CA 0.754 45.928 45.100 0.122 0.000 0.769 290 G HN 0.448 nan 8.290 nan 0.000 0.547 291 L N -0.594 120.656 121.223 0.045 0.000 1.994 291 L HA -0.028 4.312 4.340 0.000 0.000 0.208 291 L C 2.692 179.547 176.870 -0.026 0.000 1.071 291 L CA 0.722 55.584 54.840 0.037 0.000 0.745 291 L CB -0.432 41.676 42.059 0.081 0.000 0.892 291 L HN 0.242 nan 8.230 nan 0.000 0.431 292 L N -0.752 120.416 121.223 -0.092 0.000 1.988 292 L HA -0.203 4.137 4.340 0.000 0.000 0.207 292 L C 2.685 179.410 176.870 -0.242 0.000 1.071 292 L CA 1.744 56.440 54.840 -0.240 0.000 0.744 292 L CB -0.717 40.990 42.059 -0.586 0.000 0.893 292 L HN 0.211 nan 8.230 nan 0.000 0.433 293 Q N -0.062 119.557 119.800 -0.302 0.000 2.061 293 Q HA -0.216 4.124 4.340 0.000 0.000 0.204 293 Q C 2.149 178.075 176.000 -0.123 0.000 0.984 293 Q CA 1.648 57.277 55.803 -0.289 0.000 0.846 293 Q CB -0.500 27.890 28.738 -0.580 0.000 0.902 293 Q HN 0.592 nan 8.270 nan 0.000 0.421 294 E N 0.395 120.564 120.200 -0.052 0.000 2.333 294 E HA -0.136 4.214 4.350 0.000 0.000 0.198 294 E C 1.854 178.449 176.600 -0.008 0.000 1.007 294 E CA 0.473 56.883 56.400 0.017 0.000 0.845 294 E CB 0.022 29.758 29.700 0.060 0.000 0.766 294 E HN 0.311 nan 8.360 nan 0.000 0.507 295 R N 0.000 120.476 120.500 -0.040 0.000 2.161 295 R HA 0.129 4.469 4.340 0.000 0.000 0.213 295 R C 1.000 177.269 176.300 -0.053 0.000 1.055 295 R CA 0.258 56.334 56.100 -0.040 0.000 0.996 295 R CB 0.170 30.441 30.300 -0.048 0.000 0.901 295 R HN 0.059 nan 8.270 nan 0.000 0.456 296 I N 1.672 122.195 120.570 -0.078 0.000 2.278 296 I HA 0.067 4.237 4.170 0.000 0.000 0.300 296 I C 0.154 176.234 176.117 -0.062 0.000 1.174 296 I CA 0.216 61.464 61.300 -0.087 0.000 1.347 296 I CB 0.508 38.430 38.000 -0.130 0.000 1.473 296 I HN -0.039 nan 8.210 nan 0.000 0.595 297 T N 2.926 117.453 114.554 -0.045 0.000 2.731 297 T HA 0.444 4.794 4.350 0.000 0.000 0.300 297 T C -0.718 173.966 174.700 -0.028 0.000 1.283 297 T CA -0.329 61.753 62.100 -0.031 0.000 1.005 297 T CB 2.076 70.935 68.868 -0.016 0.000 1.420 297 T HN 0.312 nan 8.240 nan 0.000 0.503 298 T N 2.199 116.738 114.554 -0.024 0.000 2.786 298 T HA 0.617 4.967 4.350 0.000 0.000 0.283 298 T C -0.037 174.649 174.700 -0.025 0.000 0.992 298 T CA -0.622 61.466 62.100 -0.020 0.000 0.954 298 T CB 1.040 69.897 68.868 -0.018 0.000 0.934 298 T HN 0.832 nan 8.240 nan 0.000 0.440 299 T N 0.204 114.745 114.554 -0.022 0.000 2.937 299 T HA 0.474 4.824 4.350 0.000 0.000 0.283 299 T C 1.158 175.841 174.700 -0.029 0.000 1.012 299 T CA -1.011 61.070 62.100 -0.031 0.000 0.997 299 T CB 1.433 70.284 68.868 -0.029 0.000 1.136 299 T HN 0.351 nan 8.240 nan 0.000 0.551 300 K N 0.060 120.438 120.400 -0.037 0.000 2.442 300 K HA -0.042 4.278 4.320 0.000 0.000 0.198 300 K C 2.041 178.628 176.600 -0.023 0.000 1.044 300 K CA 0.736 57.004 56.287 -0.032 0.000 0.948 300 K CB -0.025 32.452 32.500 -0.039 0.000 0.762 300 K HN 0.519 nan 8.250 nan 0.000 0.472 301 K N -0.099 120.287 120.400 -0.023 0.000 2.057 301 K HA -0.044 4.276 4.320 0.000 0.000 0.206 301 K C 1.168 177.763 176.600 -0.009 0.000 1.050 301 K CA 1.046 57.321 56.287 -0.021 0.000 0.935 301 K CB 0.182 32.664 32.500 -0.030 0.000 0.715 301 K HN 0.214 nan 8.250 nan 0.000 0.439 302 G N -0.174 108.626 108.800 0.001 0.000 2.322 302 G HA2 0.118 4.078 3.960 0.000 0.000 0.295 302 G HA3 0.118 4.078 3.960 0.000 0.000 0.295 302 G C -1.665 173.252 174.900 0.027 0.000 1.369 302 G CA -0.685 44.428 45.100 0.022 0.000 0.821 302 G HN -0.047 nan 8.290 nan 0.000 0.536 303 S N -1.531 114.198 115.700 0.048 0.000 2.525 303 S HA 0.720 5.190 4.470 0.000 0.000 0.290 303 S C -0.612 174.015 174.600 0.044 0.000 1.152 303 S CA -0.488 57.736 58.200 0.040 0.000 1.072 303 S CB 1.364 64.594 63.200 0.051 0.000 1.027 303 S HN 1.078 nan 8.310 nan 0.000 0.500 304 V N 4.597 124.515 119.914 0.006 0.000 2.462 304 V HA 0.335 4.455 4.120 0.000 0.000 0.288 304 V C -0.469 175.579 176.094 -0.076 0.000 1.020 304 V CA -0.748 61.537 62.300 -0.024 0.000 0.857 304 V CB 1.802 33.611 31.823 -0.023 0.000 1.013 304 V HN 0.957 nan 8.190 nan 0.000 0.431 305 T N 3.232 117.714 114.554 -0.121 0.000 2.728 305 T HA 0.385 4.735 4.350 0.000 0.000 0.296 305 T C 0.246 174.779 174.700 -0.278 0.000 0.940 305 T CA -0.311 61.683 62.100 -0.176 0.000 1.013 305 T CB 0.772 69.532 68.868 -0.179 0.000 0.912 305 T HN 0.769 nan 8.240 nan 0.000 0.484 306 S N 2.512 118.051 115.700 -0.269 0.000 2.566 306 S HA 0.589 5.059 4.470 0.000 0.000 0.324 306 S C -0.346 174.036 174.600 -0.362 0.000 1.081 306 S CA -0.795 57.214 58.200 -0.319 0.000 1.105 306 S CB 0.724 63.793 63.200 -0.220 0.000 0.981 306 S HN 0.397 nan 8.310 nan 0.000 0.464 307 V N 4.012 123.627 119.914 -0.499 0.000 2.472 307 V HA 0.500 4.620 4.120 0.000 0.000 0.290 307 V C -0.188 175.751 176.094 -0.257 0.000 1.037 307 V CA -0.392 61.668 62.300 -0.400 0.000 0.908 307 V CB 1.403 32.959 31.823 -0.445 0.000 0.985 307 V HN 0.947 nan 8.190 nan 0.000 0.454 308 Q N 2.756 122.434 119.800 -0.204 0.000 2.275 308 Q HA 0.636 4.976 4.340 0.000 0.000 0.266 308 Q C -0.634 175.258 176.000 -0.179 0.000 1.002 308 Q CA -0.538 55.153 55.803 -0.186 0.000 0.761 308 Q CB 2.351 30.953 28.738 -0.226 0.000 1.255 308 Q HN 0.891 nan 8.270 nan 0.000 0.446 309 A N 2.233 124.994 122.820 -0.098 0.000 2.409 309 A HA 0.517 4.837 4.320 0.000 0.000 0.262 309 A C -0.191 177.307 177.584 -0.144 0.000 1.113 309 A CA -0.268 51.723 52.037 -0.076 0.000 0.790 309 A CB 0.419 19.448 19.000 0.047 0.000 1.046 309 A HN 0.466 nan 8.150 nan 0.000 0.496 310 V N 3.684 123.445 119.914 -0.255 0.000 2.357 310 V HA 0.160 4.280 4.120 0.000 0.000 0.281 310 V C -0.488 175.535 176.094 -0.119 0.000 1.015 310 V CA -0.545 61.564 62.300 -0.319 0.000 0.827 310 V CB 0.377 31.592 31.823 -1.013 0.000 1.018 310 V HN 0.802 nan 8.190 nan 0.000 0.432 311 Y N 4.569 124.829 120.300 -0.066 0.000 2.620 311 Y HA 0.363 4.913 4.550 0.000 0.000 0.330 311 Y C 0.018 175.761 175.900 -0.262 0.000 1.186 311 Y CA 0.405 58.439 58.100 -0.110 0.000 1.467 311 Y CB 0.963 39.399 38.460 -0.041 0.000 1.262 311 Y HN 0.425 nan 8.280 nan 0.000 0.550 312 V N 9.584 129.041 119.914 -0.762 0.000 2.326 312 V HA 0.277 4.397 4.120 0.000 0.000 0.281 312 V C -2.258 173.402 176.094 -0.723 0.000 1.015 312 V CA -2.182 59.817 62.300 -0.502 0.000 0.823 312 V CB 1.234 32.948 31.823 -0.181 0.000 1.009 312 V HN 0.725 nan 8.190 nan 0.000 0.436 313 P HA 0.142 nan 4.420 nan 0.000 0.262 313 P C 0.525 177.742 177.300 -0.137 0.000 1.199 313 P CA 0.706 63.702 63.100 -0.172 0.000 0.763 313 P CB 0.625 32.310 31.700 -0.025 0.000 0.790 314 A N 4.330 127.099 122.820 -0.084 0.000 2.783 314 A HA -0.256 4.064 4.320 0.000 0.000 0.292 314 A C 1.232 178.757 177.584 -0.097 0.000 1.495 314 A CA 1.076 53.079 52.037 -0.056 0.000 0.787 314 A CB -2.463 16.524 19.000 -0.021 0.000 1.017 314 A HN 0.646 nan 8.150 nan 0.000 0.516 315 D N -1.769 118.534 120.400 -0.161 0.000 3.006 315 D HA -0.213 4.427 4.640 0.000 0.000 0.208 315 D C -0.047 176.186 176.300 -0.112 0.000 1.116 315 D CA 2.138 56.056 54.000 -0.138 0.000 0.998 315 D CB -0.887 39.860 40.800 -0.088 0.000 1.124 315 D HN 0.976 nan 8.370 nan 0.000 0.413 316 D N 0.356 120.687 120.400 -0.115 0.000 2.336 316 D HA 0.189 4.829 4.640 0.000 0.000 0.249 316 D C 1.500 177.753 176.300 -0.078 0.000 1.213 316 D CA -0.188 53.754 54.000 -0.098 0.000 0.870 316 D CB 0.394 41.125 40.800 -0.115 0.000 1.076 316 D HN 0.147 nan 8.370 nan 0.000 0.483 317 L N 2.785 123.975 121.223 -0.054 0.000 2.395 317 L HA -0.050 4.290 4.340 0.000 0.000 0.218 317 L C 2.248 179.112 176.870 -0.011 0.000 1.130 317 L CA 1.117 55.955 54.840 -0.003 0.000 0.826 317 L CB -0.175 41.864 42.059 -0.034 0.000 0.941 317 L HN 0.518 nan 8.230 nan 0.000 0.451 318 T N -4.635 109.882 114.554 -0.061 0.000 3.107 318 T HA -0.057 4.293 4.350 0.000 0.000 0.249 318 T C 0.779 175.430 174.700 -0.081 0.000 1.096 318 T CA -0.413 61.650 62.100 -0.062 0.000 1.012 318 T CB -0.289 68.537 68.868 -0.070 0.000 0.977 318 T HN 0.170 nan 8.240 nan 0.000 0.527 319 D N 2.820 123.154 120.400 -0.109 0.000 2.487 319 D HA 0.028 4.668 4.640 0.000 0.000 0.243 319 D C -1.486 174.827 176.300 0.021 0.000 1.154 319 D CA -1.381 52.555 54.000 -0.105 0.000 0.876 319 D CB 1.543 42.321 40.800 -0.037 0.000 1.161 319 D HN 0.055 nan 8.370 nan 0.000 0.478 320 P HA -0.187 nan 4.420 nan 0.000 0.217 320 P C 0.852 178.134 177.300 -0.031 0.000 1.148 320 P CA 1.636 64.745 63.100 0.015 0.000 0.834 320 P CB 0.156 31.827 31.700 -0.049 0.000 0.783 321 A N 0.469 123.266 122.820 -0.038 0.000 1.835 321 A HA -0.111 4.209 4.320 0.000 0.000 0.215 321 A C -0.041 177.680 177.584 0.229 0.000 1.199 321 A CA 2.141 54.249 52.037 0.119 0.000 0.615 321 A CB -2.206 17.058 19.000 0.440 0.000 0.838 321 A HN 0.217 nan 8.150 nan 0.000 0.444 322 P HA -0.034 nan 4.420 nan 0.000 0.221 322 P C 1.493 179.056 177.300 0.438 0.000 1.150 322 P CA 1.656 64.983 63.100 0.378 0.000 0.800 322 P CB -0.116 31.811 31.700 0.378 0.000 0.787 323 A N 0.471 123.474 122.820 0.306 0.000 1.883 323 A HA -0.139 4.181 4.320 0.000 0.000 0.217 323 A C 2.200 179.955 177.584 0.285 0.000 1.186 323 A CA 2.339 54.541 52.037 0.276 0.000 0.624 323 A CB -1.970 17.104 19.000 0.123 0.000 0.822 323 A HN 0.199 nan 8.150 nan 0.000 0.444 324 T N -0.262 114.425 114.554 0.221 0.000 3.113 324 T HA -0.003 4.347 4.350 0.000 0.000 0.263 324 T C 1.522 176.406 174.700 0.305 0.000 1.143 324 T CA 1.486 63.711 62.100 0.207 0.000 1.090 324 T CB -0.224 68.739 68.868 0.158 0.000 0.922 324 T HN 0.566 nan 8.240 nan 0.000 0.521 325 T N 1.012 115.770 114.554 0.339 0.000 3.031 325 T HA 0.172 4.522 4.350 0.000 0.000 0.254 325 T C 1.455 176.341 174.700 0.311 0.000 1.060 325 T CA 0.132 62.437 62.100 0.342 0.000 1.135 325 T CB -0.293 68.719 68.868 0.240 0.000 0.896 325 T HN 0.288 nan 8.240 nan 0.000 0.472 326 F N 2.395 122.491 119.950 0.243 0.000 2.120 326 F HA -0.124 4.403 4.527 0.000 0.000 0.300 326 F C 2.667 178.499 175.800 0.054 0.000 1.095 326 F CA 1.169 59.233 58.000 0.106 0.000 1.249 326 F CB -0.602 38.353 39.000 -0.076 0.000 0.995 326 F HN 0.152 nan 8.300 nan 0.000 0.480 327 A N -1.481 121.431 122.820 0.154 0.000 2.178 327 A HA -0.178 4.142 4.320 0.000 0.000 0.218 327 A C 1.719 179.236 177.584 -0.112 0.000 1.157 327 A CA 1.417 53.437 52.037 -0.029 0.000 0.689 327 A CB -0.875 18.039 19.000 -0.144 0.000 0.787 327 A HN 0.480 nan 8.150 nan 0.000 0.465 328 H N -1.289 117.834 119.070 0.088 0.000 2.563 328 H HA 0.307 4.863 4.556 0.000 0.000 0.264 328 H C 0.152 175.494 175.328 0.022 0.000 0.957 328 H CA 0.259 56.333 56.048 0.044 0.000 1.173 328 H CB 0.143 29.919 29.762 0.024 0.000 1.420 328 H HN 0.351 nan 8.280 nan 0.000 0.551 329 L N 0.321 121.626 121.223 0.136 0.000 2.352 329 L HA 0.182 4.522 4.340 0.000 0.000 0.269 329 L C 1.011 177.923 176.870 0.070 0.000 1.034 329 L CA -0.494 54.392 54.840 0.077 0.000 0.806 329 L CB 1.489 43.590 42.059 0.070 0.000 1.244 329 L HN -0.119 nan 8.230 nan 0.000 0.447 330 D N 0.429 120.854 120.400 0.042 0.000 2.324 330 D HA 0.185 4.825 4.640 0.000 0.000 0.212 330 D C 0.162 176.508 176.300 0.076 0.000 0.984 330 D CA 0.535 54.566 54.000 0.050 0.000 0.885 330 D CB 0.863 41.681 40.800 0.030 0.000 0.996 330 D HN 0.507 nan 8.370 nan 0.000 0.505 331 A N 0.588 123.454 122.820 0.077 0.000 2.371 331 A HA 0.595 4.915 4.320 0.000 0.000 0.311 331 A C -0.348 177.315 177.584 0.133 0.000 1.068 331 A CA -0.550 51.571 52.037 0.140 0.000 0.744 331 A CB 1.374 20.523 19.000 0.247 0.000 1.239 331 A HN -0.008 nan 8.150 nan 0.000 0.435 332 T N -0.523 114.141 114.554 0.183 0.000 2.812 332 T HA 0.663 5.013 4.350 0.000 0.000 0.282 332 T C -0.408 174.423 174.700 0.218 0.000 0.990 332 T CA -0.478 61.753 62.100 0.218 0.000 0.960 332 T CB 1.263 70.271 68.868 0.234 0.000 0.948 332 T HN 0.417 nan 8.240 nan 0.000 0.438 333 T N 3.108 117.789 114.554 0.212 0.000 2.758 333 T HA 0.503 4.853 4.350 0.000 0.000 0.285 333 T C -0.233 174.547 174.700 0.134 0.000 0.981 333 T CA -0.523 61.651 62.100 0.122 0.000 0.965 333 T CB 0.969 69.847 68.868 0.017 0.000 0.927 333 T HN 0.621 nan 8.240 nan 0.000 0.448 334 V N 5.960 125.933 119.914 0.099 0.000 2.328 334 V HA 0.370 4.490 4.120 0.000 0.000 0.278 334 V C -0.085 176.027 176.094 0.031 0.000 1.021 334 V CA -0.752 61.612 62.300 0.107 0.000 0.838 334 V CB 0.807 32.679 31.823 0.082 0.000 0.999 334 V HN 0.737 nan 8.190 nan 0.000 0.447 335 L N 4.494 125.730 121.223 0.022 0.000 2.260 335 L HA 0.483 4.823 4.340 0.000 0.000 0.289 335 L C 0.546 177.417 176.870 0.001 0.000 1.057 335 L CA 0.382 55.221 54.840 -0.003 0.000 0.811 335 L CB 1.452 43.511 42.059 0.001 0.000 1.184 335 L HN 0.665 nan 8.230 nan 0.000 0.429 336 S N 2.993 118.683 115.700 -0.016 0.000 2.509 336 S HA 0.355 4.825 4.470 0.000 0.000 0.297 336 S C 1.000 175.575 174.600 -0.041 0.000 1.118 336 S CA -0.705 57.479 58.200 -0.027 0.000 1.074 336 S CB 1.596 64.778 63.200 -0.030 0.000 1.038 336 S HN 0.741 nan 8.310 nan 0.000 0.498 337 R N 3.171 123.647 120.500 -0.039 0.000 2.081 337 R HA -0.050 4.290 4.340 0.000 0.000 0.235 337 R C 2.164 178.434 176.300 -0.051 0.000 1.131 337 R CA 2.017 58.094 56.100 -0.038 0.000 0.960 337 R CB -1.145 29.136 30.300 -0.032 0.000 0.856 337 R HN 0.867 nan 8.270 nan 0.000 0.436 338 G N 1.297 110.069 108.800 -0.047 0.000 2.491 338 G HA2 -0.281 3.679 3.960 0.000 0.000 0.218 338 G HA3 -0.281 3.679 3.960 0.000 0.000 0.218 338 G C 1.451 176.315 174.900 -0.060 0.000 1.180 338 G CA 1.319 46.391 45.100 -0.046 0.000 0.774 338 G HN 0.325 nan 8.290 nan 0.000 0.562 339 I N 1.630 122.158 120.570 -0.069 0.000 2.315 339 I HA -0.175 3.995 4.170 0.000 0.000 0.248 339 I C 3.125 179.138 176.117 -0.174 0.000 1.117 339 I CA 1.473 62.721 61.300 -0.087 0.000 1.404 339 I CB -0.413 37.548 38.000 -0.066 0.000 1.071 339 I HN 0.372 nan 8.210 nan 0.000 0.419 340 S N 0.616 116.178 115.700 -0.231 0.000 2.419 340 S HA -0.190 4.280 4.470 0.000 0.000 0.233 340 S C 1.707 176.154 174.600 -0.256 0.000 1.016 340 S CA 1.187 59.129 58.200 -0.431 0.000 0.974 340 S CB -0.415 62.611 63.200 -0.290 0.000 0.786 340 S HN 0.521 nan 8.310 nan 0.000 0.492 341 E N 0.443 120.571 120.200 -0.120 0.000 2.435 341 E HA 0.188 4.538 4.350 0.000 0.000 0.195 341 E C 1.069 177.640 176.600 -0.048 0.000 1.029 341 E CA 0.255 56.623 56.400 -0.053 0.000 0.865 341 E CB -0.070 29.612 29.700 -0.030 0.000 0.833 341 E HN 0.578 nan 8.360 nan 0.000 0.510 342 L N -0.292 120.888 121.223 -0.071 0.000 2.627 342 L HA 0.193 4.533 4.340 0.000 0.000 0.232 342 L C 1.451 178.287 176.870 -0.058 0.000 1.150 342 L CA 0.279 55.087 54.840 -0.053 0.000 0.917 342 L CB -0.081 41.955 42.059 -0.038 0.000 1.104 342 L HN 0.254 nan 8.230 nan 0.000 0.445 343 G N 0.388 109.155 108.800 -0.056 0.000 2.347 343 G HA2 -0.293 3.667 3.960 0.000 0.000 0.247 343 G HA3 -0.293 3.667 3.960 0.000 0.000 0.247 343 G C 0.534 175.460 174.900 0.044 0.000 1.037 343 G CA -0.176 44.950 45.100 0.042 0.000 0.622 343 G HN 0.202 nan 8.290 nan 0.000 0.521 344 I N 1.590 122.145 120.570 -0.025 0.000 2.907 344 I HA 0.131 4.301 4.170 0.000 0.000 0.285 344 I C 0.095 176.071 176.117 -0.235 0.000 1.189 344 I CA 0.581 61.898 61.300 0.027 0.000 1.376 344 I CB -1.412 36.598 38.000 0.017 0.000 1.420 344 I HN 0.146 nan 8.210 nan 0.000 0.544 345 Y N 7.783 128.124 120.300 0.069 0.000 2.462 345 Y HA 0.318 4.868 4.550 0.000 0.000 0.346 345 Y C -1.530 174.278 175.900 -0.153 0.000 0.976 345 Y CA -1.979 56.089 58.100 -0.053 0.000 1.044 345 Y CB 1.436 39.845 38.460 -0.085 0.000 1.230 345 Y HN 0.323 nan 8.280 nan 0.000 0.455 346 P HA -0.197 nan 4.420 nan 0.000 0.214 346 P C 0.209 177.610 177.300 0.168 0.000 1.163 346 P CA 3.216 66.282 63.100 -0.058 0.000 0.889 346 P CB 0.267 32.008 31.700 0.069 0.000 0.790 347 A N -4.569 118.286 122.820 0.058 0.000 4.545 347 A HA -0.071 4.249 4.320 0.000 0.000 0.156 347 A C 0.192 177.778 177.584 0.002 0.000 1.264 347 A CA -0.253 51.755 52.037 -0.048 0.000 1.191 347 A CB -2.193 16.692 19.000 -0.193 0.000 0.886 347 A HN 0.066 nan 8.150 nan 0.000 0.671 348 V N 1.868 121.810 119.914 0.047 0.000 2.572 348 V HA 0.287 4.407 4.120 0.000 0.000 0.291 348 V C 0.774 176.873 176.094 0.009 0.000 1.039 348 V CA 0.752 63.063 62.300 0.018 0.000 1.055 348 V CB 1.263 33.116 31.823 0.050 0.000 0.969 348 V HN 0.572 nan 8.190 nan 0.000 0.482 349 D N 8.185 128.585 120.400 -0.001 0.000 2.359 349 D HA 0.146 4.786 4.640 0.000 0.000 0.250 349 D C -1.035 175.265 176.300 -0.001 0.000 1.264 349 D CA -1.937 52.061 54.000 -0.003 0.000 0.911 349 D CB 1.354 42.149 40.800 -0.009 0.000 1.056 349 D HN 0.258 nan 8.370 nan 0.000 0.499 350 P HA -0.123 nan 4.420 nan 0.000 0.218 350 P C 1.491 178.778 177.300 -0.021 0.000 1.149 350 P CA 0.762 63.854 63.100 -0.014 0.000 0.817 350 P CB 0.384 32.074 31.700 -0.018 0.000 0.785 351 L N -0.804 120.408 121.223 -0.018 0.000 2.270 351 L HA 0.047 4.387 4.340 0.000 0.000 0.210 351 L C 1.785 178.638 176.870 -0.030 0.000 1.104 351 L CA 1.170 55.994 54.840 -0.026 0.000 0.804 351 L CB -0.600 41.445 42.059 -0.023 0.000 0.937 351 L HN -0.063 nan 8.230 nan 0.000 0.450 352 D N -0.705 119.679 120.400 -0.026 0.000 2.395 352 D HA 0.037 4.677 4.640 0.000 0.000 0.213 352 D C 0.056 176.357 176.300 0.003 0.000 1.110 352 D CA 0.110 54.091 54.000 -0.033 0.000 0.835 352 D CB 0.494 41.262 40.800 -0.053 0.000 0.965 352 D HN -0.066 nan 8.370 nan 0.000 0.505 353 S N 0.540 116.250 115.700 0.017 0.000 2.410 353 S HA 0.459 4.929 4.470 0.000 0.000 0.304 353 S C -0.153 174.477 174.600 0.051 0.000 1.095 353 S CA -0.615 57.616 58.200 0.053 0.000 1.089 353 S CB 1.317 64.545 63.200 0.048 0.000 0.968 353 S HN 0.015 nan 8.310 nan 0.000 0.480 354 K N 1.536 121.983 120.400 0.079 0.000 2.267 354 K HA 0.694 5.014 4.320 0.000 0.000 0.246 354 K C -0.537 176.125 176.600 0.103 0.000 0.954 354 K CA -0.488 55.840 56.287 0.069 0.000 0.824 354 K CB 1.925 34.456 32.500 0.052 0.000 1.167 354 K HN 0.464 nan 8.250 nan 0.000 0.431 355 S N 0.702 116.454 115.700 0.086 0.000 2.571 355 S HA 0.270 4.740 4.470 0.000 0.000 0.284 355 S C -0.037 174.607 174.600 0.075 0.000 1.128 355 S CA -0.968 57.293 58.200 0.102 0.000 0.970 355 S CB 0.797 64.070 63.200 0.121 0.000 1.039 355 S HN 0.685 nan 8.310 nan 0.000 0.485 356 R N 4.027 124.570 120.500 0.072 0.000 2.328 356 R HA 0.231 4.571 4.340 0.000 0.000 0.206 356 R C 0.666 176.995 176.300 0.049 0.000 0.990 356 R CA 0.286 56.420 56.100 0.057 0.000 1.085 356 R CB -0.413 29.916 30.300 0.050 0.000 0.998 356 R HN 0.561 nan 8.270 nan 0.000 0.484 357 L N 0.523 121.776 121.223 0.051 0.000 2.607 357 L HA 0.135 4.475 4.340 0.000 0.000 0.228 357 L C 0.692 177.576 176.870 0.023 0.000 1.123 357 L CA -0.095 54.765 54.840 0.033 0.000 0.890 357 L CB 0.118 42.197 42.059 0.033 0.000 1.103 357 L HN 0.232 nan 8.230 nan 0.000 0.468 358 L N 0.928 122.179 121.223 0.047 0.000 2.930 358 L HA 0.113 4.453 4.340 0.000 0.000 0.250 358 L C 0.071 177.057 176.870 0.193 0.000 1.320 358 L CA 0.351 55.237 54.840 0.077 0.000 1.163 358 L CB -0.788 41.302 42.059 0.052 0.000 1.542 358 L HN 0.045 nan 8.230 nan 0.000 0.428 359 D N -1.052 119.408 120.400 0.099 0.000 2.175 359 D HA 0.441 5.081 4.640 0.000 0.000 0.248 359 D C 1.202 177.496 176.300 -0.009 0.000 1.047 359 D CA 0.382 54.402 54.000 0.034 0.000 0.883 359 D CB 1.835 42.630 40.800 -0.008 0.000 1.180 359 D HN 0.194 nan 8.370 nan 0.000 0.438 360 A N 3.123 125.828 122.820 -0.191 0.000 1.902 360 A HA 0.006 4.326 4.320 0.000 0.000 0.217 360 A C 1.906 179.444 177.584 -0.076 0.000 1.181 360 A CA 1.576 53.507 52.037 -0.176 0.000 0.623 360 A CB -0.812 17.953 19.000 -0.391 0.000 0.818 360 A HN 0.627 nan 8.150 nan 0.000 0.443 361 A N -0.907 121.864 122.820 -0.082 0.000 2.258 361 A HA 0.364 4.684 4.320 0.000 0.000 0.206 361 A C 1.448 179.016 177.584 -0.028 0.000 1.222 361 A CA 1.105 53.115 52.037 -0.045 0.000 0.822 361 A CB -0.308 18.665 19.000 -0.046 0.000 0.804 361 A HN 0.354 nan 8.150 nan 0.000 0.483 362 V N -1.336 118.560 119.914 -0.029 0.000 3.484 362 V HA -0.021 4.099 4.120 0.000 0.000 0.252 362 V C 1.784 177.853 176.094 -0.041 0.000 1.282 362 V CA 1.305 63.590 62.300 -0.025 0.000 1.104 362 V CB 0.966 32.777 31.823 -0.020 0.000 0.868 362 V HN 0.507 nan 8.190 nan 0.000 0.457 363 V N -2.525 117.350 119.914 -0.066 0.000 3.556 363 V HA 0.822 4.942 4.120 0.000 0.000 0.287 363 V C 0.728 176.832 176.094 0.015 0.000 1.422 363 V CA 0.209 62.429 62.300 -0.133 0.000 1.038 363 V CB -0.112 31.391 31.823 -0.534 0.000 0.850 363 V HN 0.743 nan 8.190 nan 0.000 0.437 364 G N 0.853 109.679 108.800 0.043 0.000 2.675 364 G HA2 -0.123 3.837 3.960 0.000 0.000 0.686 364 G HA3 -0.123 3.837 3.960 0.000 0.000 0.686 364 G C -0.186 174.787 174.900 0.122 0.000 1.215 364 G CA 0.257 45.409 45.100 0.087 0.000 0.777 364 G HN 0.408 nan 8.290 nan 0.000 0.638 365 Q N 0.088 119.944 119.800 0.093 0.000 2.016 365 Q HA -0.021 4.319 4.340 0.000 0.000 0.200 365 Q C 2.409 178.507 176.000 0.164 0.000 0.978 365 Q CA 2.607 58.472 55.803 0.104 0.000 0.833 365 Q CB -0.337 28.434 28.738 0.056 0.000 0.895 365 Q HN 0.807 nan 8.270 nan 0.000 0.427 366 E N -1.124 119.157 120.200 0.135 0.000 2.130 366 E HA -0.291 4.059 4.350 0.000 0.000 0.196 366 E C 1.843 178.537 176.600 0.156 0.000 0.998 366 E CA 1.153 57.627 56.400 0.124 0.000 0.806 366 E CB -0.175 29.578 29.700 0.089 0.000 0.738 366 E HN 0.494 nan 8.360 nan 0.000 0.459 367 H N -0.371 118.751 119.070 0.087 0.000 2.293 367 H HA -0.185 4.371 4.556 0.000 0.000 0.300 367 H C 1.883 177.261 175.328 0.085 0.000 1.082 367 H CA 1.971 58.065 56.048 0.075 0.000 1.308 367 H CB -0.689 29.116 29.762 0.072 0.000 1.375 367 H HN 0.299 nan 8.280 nan 0.000 0.495 368 Y N 1.890 122.309 120.300 0.199 0.000 2.081 368 Y HA -0.236 4.314 4.550 0.000 0.000 0.280 368 Y C 2.241 178.192 175.900 0.084 0.000 1.163 368 Y CA 2.308 60.469 58.100 0.100 0.000 1.135 368 Y CB -0.272 38.212 38.460 0.041 0.000 0.970 368 Y HN 0.231 nan 8.280 nan 0.000 0.498 369 D N -0.839 119.684 120.400 0.204 0.000 2.219 369 D HA -0.142 4.498 4.640 0.000 0.000 0.205 369 D C 2.350 178.664 176.300 0.023 0.000 0.970 369 D CA 1.182 55.239 54.000 0.095 0.000 0.851 369 D CB -0.185 40.700 40.800 0.142 0.000 0.943 369 D HN 0.325 nan 8.370 nan 0.000 0.488 370 V N 1.381 121.321 119.914 0.043 0.000 2.427 370 V HA -0.205 3.915 4.120 0.000 0.000 0.248 370 V C 2.473 178.541 176.094 -0.044 0.000 1.051 370 V CA 1.754 64.061 62.300 0.013 0.000 1.048 370 V CB -0.436 31.389 31.823 0.003 0.000 0.666 370 V HN 0.175 nan 8.190 nan 0.000 0.456 371 A N -1.097 121.685 122.820 -0.064 0.000 1.898 371 A HA -0.136 4.184 4.320 0.000 0.000 0.214 371 A C 2.484 179.962 177.584 -0.177 0.000 1.183 371 A CA 1.835 53.794 52.037 -0.130 0.000 0.622 371 A CB -0.585 18.349 19.000 -0.109 0.000 0.824 371 A HN 0.469 nan 8.150 nan 0.000 0.444 372 S N -0.399 115.155 115.700 -0.244 0.000 2.353 372 S HA -0.183 4.287 4.470 0.000 0.000 0.222 372 S C 2.055 176.596 174.600 -0.099 0.000 1.035 372 S CA 1.907 59.979 58.200 -0.215 0.000 1.025 372 S CB -0.248 62.806 63.200 -0.243 0.000 0.902 372 S HN 0.644 nan 8.310 nan 0.000 0.440 373 K N 0.828 121.193 120.400 -0.058 0.000 2.148 373 K HA -0.022 4.298 4.320 0.000 0.000 0.204 373 K C 1.847 178.439 176.600 -0.013 0.000 1.050 373 K CA 0.827 57.104 56.287 -0.017 0.000 0.942 373 K CB -0.178 32.328 32.500 0.011 0.000 0.724 373 K HN 0.124 nan 8.250 nan 0.000 0.446 374 V N 1.366 121.261 119.914 -0.031 0.000 2.261 374 V HA -0.275 3.845 4.120 0.000 0.000 0.246 374 V C 2.293 178.364 176.094 -0.038 0.000 1.047 374 V CA 1.855 64.136 62.300 -0.032 0.000 1.015 374 V CB -0.445 31.317 31.823 -0.102 0.000 0.642 374 V HN 0.437 nan 8.190 nan 0.000 0.446 375 Q N -0.435 119.328 119.800 -0.063 0.000 2.084 375 Q HA -0.250 4.090 4.340 0.000 0.000 0.202 375 Q C 2.275 178.262 176.000 -0.023 0.000 0.978 375 Q CA 1.861 57.634 55.803 -0.049 0.000 0.844 375 Q CB -0.214 28.482 28.738 -0.071 0.000 0.898 375 Q HN 0.705 nan 8.270 nan 0.000 0.426 376 E N -0.116 120.070 120.200 -0.023 0.000 2.118 376 E HA -0.163 4.187 4.350 0.000 0.000 0.195 376 E C 1.999 178.607 176.600 0.013 0.000 0.992 376 E CA 1.573 57.969 56.400 -0.006 0.000 0.804 376 E CB -0.037 29.659 29.700 -0.006 0.000 0.741 376 E HN 0.327 nan 8.360 nan 0.000 0.458 377 T N 1.498 116.061 114.554 0.015 0.000 2.737 377 T HA -0.101 4.249 4.350 0.000 0.000 0.265 377 T C 1.966 176.702 174.700 0.060 0.000 1.038 377 T CA 0.788 62.905 62.100 0.028 0.000 1.144 377 T CB -0.182 68.693 68.868 0.012 0.000 0.866 377 T HN 0.087 nan 8.240 nan 0.000 0.434 378 L N 0.755 122.008 121.223 0.051 0.000 2.141 378 L HA -0.100 4.240 4.340 0.000 0.000 0.209 378 L C 2.820 179.750 176.870 0.100 0.000 1.094 378 L CA 1.015 55.909 54.840 0.090 0.000 0.763 378 L CB -0.405 41.684 42.059 0.049 0.000 0.908 378 L HN 0.220 nan 8.230 nan 0.000 0.437 379 Q N -0.278 119.553 119.800 0.052 0.000 2.096 379 Q HA -0.120 4.220 4.340 0.000 0.000 0.197 379 Q C 2.100 178.122 176.000 0.037 0.000 0.964 379 Q CA 1.993 57.814 55.803 0.029 0.000 0.838 379 Q CB -0.257 28.485 28.738 0.006 0.000 0.906 379 Q HN 0.256 nan 8.270 nan 0.000 0.444 380 T N 0.099 114.685 114.554 0.054 0.000 2.759 380 T HA -0.167 4.183 4.350 0.000 0.000 0.269 380 T C 1.203 175.958 174.700 0.092 0.000 1.042 380 T CA 1.456 63.589 62.100 0.056 0.000 1.140 380 T CB -0.516 68.383 68.868 0.052 0.000 0.864 380 T HN 0.413 nan 8.240 nan 0.000 0.455 381 Y N 1.770 122.061 120.300 -0.015 0.000 2.242 381 Y HA 0.033 4.583 4.550 0.000 0.000 0.291 381 Y C 2.340 178.230 175.900 -0.018 0.000 1.137 381 Y CA 1.117 59.207 58.100 -0.016 0.000 1.181 381 Y CB -0.195 38.255 38.460 -0.016 0.000 0.989 381 Y HN 0.024 nan 8.280 nan 0.000 0.527 382 K N -0.499 119.860 120.400 -0.069 0.000 2.148 382 K HA -0.089 4.231 4.320 0.000 0.000 0.204 382 K C 1.601 178.119 176.600 -0.137 0.000 1.050 382 K CA 1.365 57.564 56.287 -0.147 0.000 0.942 382 K CB -0.149 32.320 32.500 -0.053 0.000 0.724 382 K HN 0.213 nan 8.250 nan 0.000 0.446 383 S N 0.500 116.150 115.700 -0.083 0.000 2.720 383 S HA 0.098 4.568 4.470 0.000 0.000 0.222 383 S C 1.070 175.624 174.600 -0.077 0.000 0.958 383 S CA 0.288 58.449 58.200 -0.065 0.000 0.943 383 S CB 0.118 63.300 63.200 -0.031 0.000 0.779 383 S HN 0.264 nan 8.310 nan 0.000 0.526 384 L N -0.427 120.718 121.223 -0.130 0.000 2.948 384 L HA 0.216 4.556 4.340 0.000 0.000 0.259 384 L C 1.686 178.458 176.870 -0.164 0.000 1.136 384 L CA 0.187 54.956 54.840 -0.119 0.000 0.959 384 L CB 0.067 42.084 42.059 -0.070 0.000 1.370 384 L HN 0.122 nan 8.230 nan 0.000 0.552 385 Q N 0.695 120.342 119.800 -0.256 0.000 2.500 385 Q HA -0.170 4.170 4.340 0.000 0.000 0.213 385 Q C 0.399 176.321 176.000 -0.131 0.000 0.974 385 Q CA 1.414 57.077 55.803 -0.234 0.000 0.918 385 Q CB -0.054 28.508 28.738 -0.293 0.000 0.980 385 Q HN 0.579 nan 8.270 nan 0.000 0.505 386 D N -1.198 119.139 120.400 -0.105 0.000 2.349 386 D HA 0.036 4.676 4.640 0.000 0.000 0.214 386 D C 0.685 176.953 176.300 -0.054 0.000 1.063 386 D CA 0.158 54.116 54.000 -0.070 0.000 0.847 386 D CB 0.374 41.137 40.800 -0.061 0.000 0.933 386 D HN 0.099 nan 8.370 nan 0.000 0.513 387 I N 0.278 120.813 120.570 -0.057 0.000 3.883 387 I HA 0.034 4.204 4.170 0.000 0.000 0.305 387 I C 1.394 177.492 176.117 -0.032 0.000 1.247 387 I CA 0.180 61.457 61.300 -0.038 0.000 1.350 387 I CB 0.317 38.298 38.000 -0.032 0.000 1.194 387 I HN -0.063 nan 8.210 nan 0.000 0.441 388 I N 0.763 121.308 120.570 -0.041 0.000 2.493 388 I HA -0.121 4.049 4.170 0.000 0.000 0.254 388 I C 2.531 178.633 176.117 -0.024 0.000 1.160 388 I CA 1.263 62.548 61.300 -0.026 0.000 1.445 388 I CB -1.880 36.105 38.000 -0.025 0.000 1.086 388 I HN 0.133 nan 8.210 nan 0.000 0.433 389 A N 0.837 123.637 122.820 -0.034 0.000 1.968 389 A HA -0.050 4.270 4.320 0.000 0.000 0.217 389 A C 2.202 179.774 177.584 -0.020 0.000 1.169 389 A CA 1.382 53.402 52.037 -0.028 0.000 0.638 389 A CB -0.322 18.657 19.000 -0.035 0.000 0.812 389 A HN 0.370 nan 8.150 nan 0.000 0.446 390 I N -1.844 118.714 120.570 -0.020 0.000 3.445 390 I HA 0.134 4.304 4.170 0.000 0.000 0.288 390 I C 1.860 177.970 176.117 -0.012 0.000 1.198 390 I CA 0.581 61.871 61.300 -0.015 0.000 1.417 390 I CB 0.140 38.130 38.000 -0.016 0.000 1.205 390 I HN 0.136 nan 8.210 nan 0.000 0.448 391 L N -0.402 120.814 121.223 -0.012 0.000 2.537 391 L HA 0.493 4.833 4.340 0.000 0.000 0.224 391 L C 0.948 177.814 176.870 -0.005 0.000 1.065 391 L CA 0.304 55.139 54.840 -0.008 0.000 0.860 391 L CB -0.241 41.813 42.059 -0.008 0.000 1.086 391 L HN 0.358 nan 8.230 nan 0.000 0.482 392 G N 0.042 108.839 108.800 -0.006 0.000 2.781 392 G HA2 -0.281 3.679 3.960 0.000 0.000 0.683 392 G HA3 -0.281 3.679 3.960 0.000 0.000 0.683 392 G C 0.136 175.038 174.900 0.004 0.000 1.390 392 G CA -0.225 44.875 45.100 -0.001 0.000 0.850 392 G HN 0.027 nan 8.290 nan 0.000 0.557 393 M N -0.023 119.583 119.600 0.010 0.000 2.700 393 M HA -0.015 4.465 4.480 0.000 0.000 0.249 393 M C 1.776 178.082 176.300 0.010 0.000 1.082 393 M CA 1.507 56.817 55.300 0.015 0.000 1.077 393 M CB -0.301 32.312 32.600 0.022 0.000 1.477 393 M HN 0.667 nan 8.290 nan 0.000 0.529 394 D N 0.597 121.000 120.400 0.005 0.000 2.123 394 D HA -0.168 4.472 4.640 0.000 0.000 0.200 394 D C 1.667 177.968 176.300 0.003 0.000 0.976 394 D CA 1.096 55.098 54.000 0.003 0.000 0.831 394 D CB 0.299 41.099 40.800 0.002 0.000 0.974 394 D HN 0.138 nan 8.370 nan 0.000 0.469 395 E N -0.421 119.780 120.200 0.002 0.000 2.502 395 E HA 0.074 4.424 4.350 0.000 0.000 0.194 395 E C 0.069 176.670 176.600 0.003 0.000 1.062 395 E CA -0.119 56.282 56.400 0.001 0.000 0.867 395 E CB 0.088 29.788 29.700 -0.001 0.000 0.888 395 E HN 0.204 nan 8.360 nan 0.000 0.510 396 L N 0.375 121.602 121.223 0.006 0.000 2.472 396 L HA 0.132 4.472 4.340 0.000 0.000 0.260 396 L C 0.874 177.748 176.870 0.008 0.000 1.209 396 L CA 0.239 55.084 54.840 0.009 0.000 0.817 396 L CB 0.849 42.917 42.059 0.016 0.000 1.106 396 L HN 0.090 nan 8.230 nan 0.000 0.479 397 S N 0.274 115.979 115.700 0.009 0.000 2.600 397 S HA 0.031 4.501 4.470 0.000 0.000 0.265 397 S C 1.137 175.741 174.600 0.008 0.000 1.325 397 S CA -0.391 57.813 58.200 0.008 0.000 1.002 397 S CB 0.682 63.887 63.200 0.008 0.000 0.921 397 S HN 0.552 nan 8.310 nan 0.000 0.554 398 E N 1.651 121.855 120.200 0.005 0.000 2.072 398 E HA -0.144 4.206 4.350 0.000 0.000 0.190 398 E C 1.860 178.463 176.600 0.004 0.000 0.982 398 E CA 0.973 57.375 56.400 0.004 0.000 0.803 398 E CB -0.408 29.294 29.700 0.002 0.000 0.755 398 E HN 0.814 nan 8.360 nan 0.000 0.453 399 Q N 0.453 120.256 119.800 0.005 0.000 2.311 399 Q HA -0.116 4.224 4.340 0.000 0.000 0.203 399 Q C 1.345 177.350 176.000 0.009 0.000 0.954 399 Q CA 0.733 56.540 55.803 0.006 0.000 0.885 399 Q CB 0.267 29.009 28.738 0.007 0.000 0.963 399 Q HN 0.116 nan 8.270 nan 0.000 0.471 400 D N 0.571 120.979 120.400 0.013 0.000 2.123 400 D HA -0.109 4.531 4.640 0.000 0.000 0.200 400 D C 1.525 177.839 176.300 0.023 0.000 0.976 400 D CA 0.935 54.948 54.000 0.023 0.000 0.831 400 D CB 0.157 40.973 40.800 0.026 0.000 0.974 400 D HN 0.210 nan 8.370 nan 0.000 0.469 401 K N 0.210 120.618 120.400 0.015 0.000 2.113 401 K HA -0.180 4.140 4.320 0.000 0.000 0.208 401 K C 2.024 178.621 176.600 -0.005 0.000 1.047 401 K CA 0.664 56.956 56.287 0.008 0.000 0.928 401 K CB -0.062 32.440 32.500 0.003 0.000 0.716 401 K HN 0.048 nan 8.250 nan 0.000 0.446 402 L N 0.729 121.947 121.223 -0.007 0.000 2.049 402 L HA -0.106 4.234 4.340 0.000 0.000 0.203 402 L C 2.083 178.936 176.870 -0.029 0.000 1.074 402 L CA 1.847 56.676 54.840 -0.018 0.000 0.749 402 L CB -0.670 41.382 42.059 -0.011 0.000 0.907 402 L HN 0.096 nan 8.230 nan 0.000 0.439 403 T N -1.407 113.139 114.554 -0.012 0.000 2.759 403 T HA -0.170 4.180 4.350 0.000 0.000 0.269 403 T C 1.995 176.672 174.700 -0.038 0.000 1.042 403 T CA 1.502 63.594 62.100 -0.012 0.000 1.140 403 T CB -0.414 68.464 68.868 0.016 0.000 0.864 403 T HN 0.143 nan 8.240 nan 0.000 0.455 404 V N 1.371 121.276 119.914 -0.015 0.000 2.307 404 V HA -0.166 3.954 4.120 0.000 0.000 0.245 404 V C 2.538 178.487 176.094 -0.243 0.000 1.045 404 V CA 1.699 63.969 62.300 -0.050 0.000 1.024 404 V CB -0.508 31.379 31.823 0.106 0.000 0.651 404 V HN 0.528 nan 8.190 nan 0.000 0.449 405 E N -0.325 119.786 120.200 -0.148 0.000 2.051 405 E HA -0.192 4.158 4.350 0.000 0.000 0.192 405 E C 2.468 178.935 176.600 -0.221 0.000 0.991 405 E CA 1.018 57.316 56.400 -0.170 0.000 0.799 405 E CB -0.179 29.460 29.700 -0.102 0.000 0.748 405 E HN 0.476 nan 8.360 nan 0.000 0.449 406 R N 0.308 120.702 120.500 -0.177 0.000 2.127 406 R HA -0.113 4.227 4.340 0.000 0.000 0.238 406 R C 2.230 178.401 176.300 -0.214 0.000 1.134 406 R CA 1.024 57.015 56.100 -0.180 0.000 0.975 406 R CB -0.257 29.986 30.300 -0.096 0.000 0.865 406 R HN 0.123 nan 8.270 nan 0.000 0.447 407 A N 1.384 124.044 122.820 -0.268 0.000 1.872 407 A HA -0.128 4.192 4.320 0.000 0.000 0.214 407 A C 2.146 179.496 177.584 -0.389 0.000 1.187 407 A CA 0.860 52.703 52.037 -0.322 0.000 0.614 407 A CB -0.294 18.438 19.000 -0.447 0.000 0.826 407 A HN 0.197 nan 8.150 nan 0.000 0.442 408 R N 0.131 120.309 120.500 -0.537 0.000 2.091 408 R HA -0.139 4.201 4.340 0.000 0.000 0.238 408 R C 2.104 178.273 176.300 -0.218 0.000 1.136 408 R CA 1.780 57.660 56.100 -0.367 0.000 0.959 408 R CB -0.320 29.791 30.300 -0.316 0.000 0.856 408 R HN 0.495 nan 8.270 nan 0.000 0.437 409 K N 0.256 120.473 120.400 -0.305 0.000 2.148 409 K HA -0.073 4.247 4.320 0.000 0.000 0.204 409 K C 2.017 178.437 176.600 -0.299 0.000 1.050 409 K CA 1.053 57.061 56.287 -0.464 0.000 0.942 409 K CB -0.034 31.896 32.500 -0.950 0.000 0.724 409 K HN 0.189 nan 8.250 nan 0.000 0.446 410 I N 1.092 121.581 120.570 -0.135 0.000 2.193 410 I HA -0.259 3.911 4.170 0.000 0.000 0.240 410 I C 2.462 178.697 176.117 0.198 0.000 1.084 410 I CA 1.096 62.479 61.300 0.140 0.000 1.365 410 I CB -0.184 37.902 38.000 0.143 0.000 1.064 410 I HN 0.182 nan 8.210 nan 0.000 0.410 411 Q N 0.417 120.266 119.800 0.080 0.000 2.156 411 Q HA -0.306 4.034 4.340 0.000 0.000 0.211 411 Q C 2.335 178.443 176.000 0.180 0.000 0.995 411 Q CA 2.027 57.893 55.803 0.105 0.000 0.877 411 Q CB -0.138 28.636 28.738 0.060 0.000 0.920 411 Q HN 0.430 nan 8.270 nan 0.000 0.416 412 R N -1.104 119.514 120.500 0.196 0.000 2.093 412 R HA -0.053 4.287 4.340 0.000 0.000 0.224 412 R C 1.987 178.550 176.300 0.438 0.000 1.101 412 R CA 0.624 56.921 56.100 0.327 0.000 0.979 412 R CB -0.107 30.373 30.300 0.300 0.000 0.877 412 R HN 0.175 nan 8.270 nan 0.000 0.441 413 F N 1.174 121.250 119.950 0.210 0.000 2.365 413 F HA 0.010 4.537 4.527 0.000 0.000 0.300 413 F C 1.385 177.378 175.800 0.322 0.000 1.090 413 F CA 0.914 59.041 58.000 0.211 0.000 1.408 413 F CB -0.073 38.925 39.000 -0.003 0.000 1.060 413 F HN -0.054 nan 8.300 nan 0.000 0.534 414 L N -0.533 120.954 121.223 0.440 0.000 2.610 414 L HA 0.001 4.341 4.340 0.000 0.000 0.232 414 L C 0.750 177.737 176.870 0.196 0.000 1.149 414 L CA 0.017 55.018 54.840 0.267 0.000 0.872 414 L CB -0.635 41.529 42.059 0.174 0.000 0.992 414 L HN -0.129 nan 8.230 nan 0.000 0.447 415 S N 0.044 115.879 115.700 0.225 0.000 2.562 415 S HA 0.403 4.873 4.470 0.000 0.000 0.275 415 S C -0.285 174.369 174.600 0.089 0.000 1.281 415 S CA -0.451 57.831 58.200 0.137 0.000 1.045 415 S CB 1.881 65.162 63.200 0.135 0.000 0.962 415 S HN 0.191 nan 8.310 nan 0.000 0.503 416 Q N 1.820 121.630 119.800 0.018 0.000 2.289 416 Q HA 0.339 4.679 4.340 0.000 0.000 0.270 416 Q C -2.921 173.089 176.000 0.017 0.000 1.038 416 Q CA -2.359 53.476 55.803 0.054 0.000 0.812 416 Q CB 2.103 30.939 28.738 0.163 0.000 1.300 416 Q HN 0.300 nan 8.270 nan 0.000 0.427 417 P HA 0.063 nan 4.420 nan 0.000 0.270 417 P C -0.913 176.538 177.300 0.251 0.000 1.242 417 P CA 0.113 63.260 63.100 0.077 0.000 0.768 417 P CB 0.091 31.812 31.700 0.035 0.000 0.820 418 F N 2.286 122.237 119.950 0.001 0.000 2.389 418 F HA 0.285 4.812 4.527 0.000 0.000 0.337 418 F C 1.833 177.617 175.800 -0.026 0.000 1.112 418 F CA -1.112 56.877 58.000 -0.018 0.000 1.192 418 F CB 0.375 39.369 39.000 -0.010 0.000 1.185 418 F HN 0.367 nan 8.300 nan 0.000 0.552 419 A N 2.783 125.638 122.820 0.058 0.000 1.930 419 A HA -0.048 4.272 4.320 0.000 0.000 0.217 419 A C 2.131 179.711 177.584 -0.008 0.000 1.175 419 A CA 1.574 53.607 52.037 -0.007 0.000 0.627 419 A CB -0.825 18.134 19.000 -0.069 0.000 0.815 419 A HN 0.546 nan 8.150 nan 0.000 0.443 420 V N -0.391 119.523 119.914 0.000 0.000 2.427 420 V HA -0.116 4.004 4.120 0.000 0.000 0.248 420 V C 2.276 178.399 176.094 0.048 0.000 1.051 420 V CA 1.620 63.928 62.300 0.012 0.000 1.048 420 V CB -0.787 31.054 31.823 0.029 0.000 0.666 420 V HN 0.557 nan 8.190 nan 0.000 0.456 421 A N -0.581 122.342 122.820 0.172 0.000 2.929 421 A HA 0.166 4.486 4.320 0.000 0.000 0.279 421 A C 1.715 179.338 177.584 0.064 0.000 1.418 421 A CA 0.152 52.312 52.037 0.204 0.000 1.035 421 A CB -0.472 18.716 19.000 0.312 0.000 1.047 421 A HN 0.577 nan 8.150 nan 0.000 0.609 422 E N -0.261 119.913 120.200 -0.043 0.000 2.076 422 E HA -0.131 4.219 4.350 0.000 0.000 0.190 422 E C 1.754 178.292 176.600 -0.104 0.000 0.979 422 E CA 1.612 57.980 56.400 -0.053 0.000 0.807 422 E CB 0.002 29.665 29.700 -0.061 0.000 0.761 422 E HN 0.539 nan 8.360 nan 0.000 0.454 423 V N -0.981 118.787 119.914 -0.243 0.000 2.809 423 V HA -0.113 4.007 4.120 0.000 0.000 0.256 423 V C 1.635 177.606 176.094 -0.205 0.000 1.080 423 V CA 1.042 63.176 62.300 -0.278 0.000 1.102 423 V CB -0.783 30.795 31.823 -0.409 0.000 0.705 423 V HN 0.130 nan 8.190 nan 0.000 0.475 424 F N 2.311 122.240 119.950 -0.035 0.000 2.811 424 F HA 0.207 4.734 4.527 0.000 0.000 0.301 424 F C 1.851 177.623 175.800 -0.046 0.000 1.151 424 F CA 0.831 58.797 58.000 -0.056 0.000 1.412 424 F CB -0.898 38.036 39.000 -0.111 0.000 1.113 424 F HN 0.470 nan 8.300 nan 0.000 0.579 425 T N -5.980 108.636 114.554 0.103 0.000 3.602 425 T HA 0.429 4.779 4.350 0.000 0.000 0.287 425 T C 1.701 176.421 174.700 0.033 0.000 0.967 425 T CA 0.470 62.611 62.100 0.067 0.000 1.111 425 T CB 0.387 69.285 68.868 0.050 0.000 1.156 425 T HN 0.104 nan 8.240 nan 0.000 0.470 426 G N 1.919 110.724 108.800 0.009 0.000 2.176 426 G HA2 -0.143 3.817 3.960 0.000 0.000 0.232 426 G HA3 -0.143 3.817 3.960 0.000 0.000 0.232 426 G C -0.031 174.866 174.900 -0.004 0.000 0.986 426 G CA -0.079 45.019 45.100 -0.003 0.000 0.643 426 G HN 0.709 nan 8.290 nan 0.000 0.522 427 I N 3.606 124.176 120.570 0.000 0.000 2.297 427 I HA 0.312 4.482 4.170 0.000 0.000 0.291 427 I C -1.552 174.565 176.117 -0.000 0.000 1.033 427 I CA -2.243 59.054 61.300 -0.005 0.000 1.253 427 I CB 1.149 39.140 38.000 -0.015 0.000 1.396 427 I HN -0.081 nan 8.210 nan 0.000 0.476 428 P HA 0.025 nan 4.420 nan 0.000 0.267 428 P C 0.285 177.592 177.300 0.012 0.000 1.200 428 P CA -0.101 62.997 63.100 -0.003 0.000 0.772 428 P CB 0.491 32.185 31.700 -0.010 0.000 0.855 429 G N 2.868 111.678 108.800 0.017 0.000 2.414 429 G HA2 0.149 4.109 3.960 0.000 0.000 0.236 429 G HA3 0.149 4.109 3.960 0.000 0.000 0.236 429 G C -0.136 174.782 174.900 0.029 0.000 1.293 429 G CA -0.217 44.907 45.100 0.040 0.000 0.869 429 G HN 0.372 nan 8.290 nan 0.000 0.556 430 K N 0.458 120.891 120.400 0.054 0.000 2.385 430 K HA 0.582 4.902 4.320 0.000 0.000 0.248 430 K C -1.107 175.520 176.600 0.044 0.000 0.955 430 K CA -0.848 55.463 56.287 0.040 0.000 0.816 430 K CB 2.701 35.227 32.500 0.043 0.000 1.250 430 K HN 0.428 nan 8.250 nan 0.000 0.434 431 L N 1.074 122.309 121.223 0.020 0.000 2.528 431 L HA 0.390 4.730 4.340 0.000 0.000 0.267 431 L C -1.605 175.271 176.870 0.009 0.000 0.961 431 L CA -0.716 54.127 54.840 0.005 0.000 0.866 431 L CB 1.700 43.742 42.059 -0.029 0.000 1.248 431 L HN 0.247 nan 8.230 nan 0.000 0.404 432 V N 4.444 124.367 119.914 0.016 0.000 2.435 432 V HA 0.561 4.681 4.120 0.000 0.000 0.290 432 V C 0.235 176.336 176.094 0.011 0.000 1.030 432 V CA -0.878 61.430 62.300 0.013 0.000 0.881 432 V CB 1.441 33.270 31.823 0.010 0.000 0.983 432 V HN 0.688 nan 8.190 nan 0.000 0.445 433 R N 2.693 123.200 120.500 0.012 0.000 2.585 433 R HA 0.051 4.391 4.340 0.000 0.000 0.275 433 R C 1.291 177.602 176.300 0.018 0.000 1.018 433 R CA -0.031 56.079 56.100 0.016 0.000 1.072 433 R CB 0.199 30.509 30.300 0.017 0.000 0.953 433 R HN 0.808 nan 8.270 nan 0.000 0.419 434 L N 3.707 124.945 121.223 0.026 0.000 2.042 434 L HA -0.222 4.118 4.340 0.000 0.000 0.210 434 L C 2.122 179.001 176.870 0.016 0.000 1.076 434 L CA 1.810 56.670 54.840 0.032 0.000 0.749 434 L CB -0.124 41.977 42.059 0.070 0.000 0.893 434 L HN 0.558 nan 8.230 nan 0.000 0.432 435 K N -0.237 120.179 120.400 0.026 0.000 2.063 435 K HA -0.212 4.108 4.320 0.000 0.000 0.208 435 K C 1.562 178.169 176.600 0.013 0.000 1.048 435 K CA 2.174 58.472 56.287 0.019 0.000 0.928 435 K CB -0.164 32.353 32.500 0.029 0.000 0.713 435 K HN 0.497 nan 8.250 nan 0.000 0.442 436 D N -0.957 119.454 120.400 0.018 0.000 2.213 436 D HA -0.063 4.577 4.640 0.000 0.000 0.205 436 D C 1.664 177.978 176.300 0.025 0.000 0.961 436 D CA 0.973 54.987 54.000 0.023 0.000 0.853 436 D CB -0.063 40.750 40.800 0.022 0.000 0.967 436 D HN 0.110 nan 8.370 nan 0.000 0.496 437 T N 0.200 114.765 114.554 0.019 0.000 2.652 437 T HA -0.140 4.210 4.350 0.000 0.000 0.267 437 T C 2.214 176.996 174.700 0.137 0.000 1.039 437 T CA 0.980 63.114 62.100 0.056 0.000 1.153 437 T CB -0.557 68.330 68.868 0.032 0.000 0.863 437 T HN -0.022 nan 8.240 nan 0.000 0.428 438 V N 1.793 121.704 119.914 -0.003 0.000 2.332 438 V HA -0.187 3.933 4.120 0.000 0.000 0.248 438 V C 2.914 179.033 176.094 0.042 0.000 1.055 438 V CA 1.786 64.040 62.300 -0.077 0.000 1.038 438 V CB -1.237 30.409 31.823 -0.295 0.000 0.651 438 V HN 0.570 nan 8.190 nan 0.000 0.450 439 A N -0.689 122.158 122.820 0.045 0.000 1.930 439 A HA -0.155 4.165 4.320 0.000 0.000 0.217 439 A C 2.457 180.108 177.584 0.111 0.000 1.175 439 A CA 1.980 54.060 52.037 0.072 0.000 0.627 439 A CB -0.526 18.508 19.000 0.057 0.000 0.815 439 A HN 0.507 nan 8.150 nan 0.000 0.443 440 S N -0.927 114.837 115.700 0.106 0.000 2.387 440 S HA -0.030 4.440 4.470 0.000 0.000 0.226 440 S C 1.524 176.201 174.600 0.127 0.000 1.026 440 S CA 1.175 59.443 58.200 0.112 0.000 0.972 440 S CB -0.455 62.799 63.200 0.091 0.000 0.814 440 S HN 0.567 nan 8.310 nan 0.000 0.477 441 F N 1.808 121.839 119.950 0.134 0.000 2.293 441 F HA 0.107 4.634 4.527 0.000 0.000 0.297 441 F C 2.311 178.174 175.800 0.104 0.000 1.089 441 F CA 0.770 58.849 58.000 0.132 0.000 1.377 441 F CB -0.137 38.870 39.000 0.011 0.000 1.051 441 F HN 0.058 nan 8.300 nan 0.000 0.511 442 K N 0.737 121.277 120.400 0.234 0.000 2.057 442 K HA -0.169 4.151 4.320 0.000 0.000 0.207 442 K C 2.202 178.895 176.600 0.155 0.000 1.049 442 K CA 1.281 57.661 56.287 0.155 0.000 0.931 442 K CB -0.270 32.294 32.500 0.107 0.000 0.714 442 K HN 0.228 nan 8.250 nan 0.000 0.440 443 A N 0.584 123.515 122.820 0.186 0.000 1.969 443 A HA -0.069 4.251 4.320 0.000 0.000 0.218 443 A C 2.152 179.906 177.584 0.285 0.000 1.169 443 A CA 1.385 53.565 52.037 0.238 0.000 0.635 443 A CB -0.329 18.881 19.000 0.349 0.000 0.810 443 A HN 0.175 nan 8.150 nan 0.000 0.445 444 V N -0.068 120.002 119.914 0.259 0.000 2.379 444 V HA -0.190 3.930 4.120 0.000 0.000 0.245 444 V C 2.479 178.651 176.094 0.130 0.000 1.044 444 V CA 1.576 64.001 62.300 0.209 0.000 1.036 444 V CB -0.893 30.992 31.823 0.103 0.000 0.664 444 V HN 0.537 nan 8.190 nan 0.000 0.453 445 L N -0.067 121.238 121.223 0.137 0.000 2.079 445 L HA -0.233 4.107 4.340 0.000 0.000 0.210 445 L C 2.552 179.464 176.870 0.069 0.000 1.081 445 L CA 1.804 56.703 54.840 0.098 0.000 0.752 445 L CB -0.525 41.599 42.059 0.109 0.000 0.896 445 L HN 0.392 nan 8.230 nan 0.000 0.433 446 E N -0.511 119.733 120.200 0.074 0.000 2.358 446 E HA -0.008 4.342 4.350 0.000 0.000 0.195 446 E C 0.963 177.582 176.600 0.030 0.000 1.010 446 E CA 0.512 56.940 56.400 0.048 0.000 0.856 446 E CB 0.149 29.877 29.700 0.046 0.000 0.795 446 E HN 0.537 nan 8.360 nan 0.000 0.504 447 G N 1.537 110.361 108.800 0.041 0.000 2.392 447 G HA2 -0.242 3.718 3.960 0.000 0.000 0.215 447 G HA3 -0.242 3.718 3.960 0.000 0.000 0.215 447 G C 0.342 175.232 174.900 -0.018 0.000 1.097 447 G CA 0.137 45.248 45.100 0.019 0.000 0.840 447 G HN 0.153 nan 8.290 nan 0.000 0.492 448 K N -1.038 119.341 120.400 -0.035 0.000 2.352 448 K HA 0.269 4.589 4.320 0.000 0.000 0.194 448 K C 0.417 176.746 176.600 -0.452 0.000 1.038 448 K CA 0.458 56.595 56.287 -0.250 0.000 1.023 448 K CB 0.441 32.736 32.500 -0.341 0.000 0.840 448 K HN 0.484 nan 8.250 nan 0.000 0.519 449 Y N 0.522 120.847 120.300 0.042 0.000 2.669 449 Y HA 0.172 4.722 4.550 0.000 0.000 0.302 449 Y C 0.491 176.443 175.900 0.088 0.000 1.000 449 Y CA -0.683 57.462 58.100 0.075 0.000 1.222 449 Y CB 0.403 38.947 38.460 0.141 0.000 1.209 449 Y HN -0.006 nan 8.280 nan 0.000 0.571 450 D N 0.534 120.997 120.400 0.104 0.000 2.183 450 D HA -0.138 4.502 4.640 0.000 0.000 0.203 450 D C 1.427 177.765 176.300 0.064 0.000 0.969 450 D CA 1.186 55.223 54.000 0.062 0.000 0.842 450 D CB 0.075 40.883 40.800 0.013 0.000 0.957 450 D HN 0.557 nan 8.370 nan 0.000 0.484 451 N N 0.950 119.683 118.700 0.054 0.000 2.443 451 N HA -0.118 4.622 4.740 0.000 0.000 0.184 451 N C 0.754 176.299 175.510 0.058 0.000 1.037 451 N CA 0.440 53.514 53.050 0.039 0.000 0.896 451 N CB -0.476 38.019 38.487 0.014 0.000 0.959 451 N HN 0.228 nan 8.380 nan 0.000 0.442 452 I N 1.510 122.147 120.570 0.112 0.000 2.365 452 I HA 0.260 4.430 4.170 0.000 0.000 0.291 452 I C -1.921 174.275 176.117 0.131 0.000 1.004 452 I CA -2.407 58.951 61.300 0.097 0.000 1.311 452 I CB 0.958 38.988 38.000 0.050 0.000 1.401 452 I HN -0.104 nan 8.210 nan 0.000 0.491 453 P HA 0.052 nan 4.420 nan 0.000 0.271 453 P C 0.035 177.406 177.300 0.118 0.000 1.233 453 P CA -0.078 63.051 63.100 0.048 0.000 0.789 453 P CB 0.776 32.481 31.700 0.008 0.000 0.951 454 E N 0.029 120.242 120.200 0.021 0.000 2.072 454 E HA -0.167 4.183 4.350 0.000 0.000 0.190 454 E C 1.505 178.217 176.600 0.187 0.000 0.982 454 E CA 1.102 57.541 56.400 0.064 0.000 0.803 454 E CB -0.459 29.148 29.700 -0.155 0.000 0.755 454 E HN 0.643 nan 8.360 nan 0.000 0.453 455 H N -0.151 118.996 119.070 0.128 0.000 2.563 455 H HA 0.119 4.675 4.556 0.000 0.000 0.272 455 H C 1.703 177.108 175.328 0.129 0.000 1.005 455 H CA 0.040 56.172 56.048 0.139 0.000 1.171 455 H CB 0.236 30.049 29.762 0.084 0.000 1.351 455 H HN 0.164 nan 8.280 nan 0.000 0.602 456 A N 0.106 123.006 122.820 0.134 0.000 1.984 456 A HA -0.016 4.304 4.320 0.000 0.000 0.214 456 A C 1.426 178.871 177.584 -0.231 0.000 1.173 456 A CA 0.401 52.377 52.037 -0.102 0.000 0.673 456 A CB -0.308 18.521 19.000 -0.285 0.000 0.830 456 A HN 0.270 nan 8.150 nan 0.000 0.453 457 F N -1.738 118.158 119.950 -0.092 0.000 2.456 457 F HA 0.080 4.607 4.527 0.000 0.000 0.298 457 F C 0.912 176.758 175.800 0.078 0.000 1.104 457 F CA 0.166 58.048 58.000 -0.197 0.000 1.435 457 F CB -0.358 38.469 39.000 -0.288 0.000 1.078 457 F HN 0.299 nan 8.300 nan 0.000 0.546 458 Y N 1.463 121.882 120.300 0.198 0.000 2.496 458 Y HA 0.270 4.820 4.550 0.000 0.000 0.334 458 Y C 0.600 176.579 175.900 0.131 0.000 1.080 458 Y CA -1.623 56.587 58.100 0.183 0.000 1.355 458 Y CB 0.110 38.681 38.460 0.184 0.000 1.193 458 Y HN 0.156 nan 8.280 nan 0.000 0.523 459 M N 5.431 124.803 119.600 -0.380 0.000 3.241 459 M HA -0.157 4.323 4.480 0.000 0.000 0.169 459 M C -1.606 174.613 176.300 -0.136 0.000 1.333 459 M CA 1.306 56.373 55.300 -0.389 0.000 0.838 459 M CB -1.121 31.025 32.600 -0.756 0.000 1.258 459 M HN 0.486 nan 8.290 nan 0.000 0.656 460 V N -1.333 118.584 119.914 0.004 0.000 3.065 460 V HA 1.082 5.202 4.120 0.000 0.000 0.312 460 V C 0.679 176.829 176.094 0.094 0.000 1.412 460 V CA -0.362 61.959 62.300 0.035 0.000 1.039 460 V CB 1.039 32.871 31.823 0.015 0.000 1.077 460 V HN 0.512 nan 8.190 nan 0.000 0.473 461 G N -0.657 108.194 108.800 0.085 0.000 3.329 461 G HA2 0.609 4.569 3.960 0.000 0.000 0.180 461 G HA3 0.609 4.569 3.960 0.000 0.000 0.180 461 G C 0.508 175.495 174.900 0.145 0.000 1.640 461 G CA -0.025 45.127 45.100 0.087 0.000 1.018 461 G HN 1.347 nan 8.290 nan 0.000 0.581 462 G N -0.897 107.959 108.800 0.095 0.000 2.516 462 G HA2 0.316 4.276 3.960 0.000 0.000 0.276 462 G HA3 0.316 4.276 3.960 0.000 0.000 0.276 462 G C 0.913 175.919 174.900 0.176 0.000 1.390 462 G CA 0.058 45.229 45.100 0.118 0.000 1.050 462 G HN 0.395 nan 8.290 nan 0.000 0.519 463 I N -0.722 119.919 120.570 0.119 0.000 2.394 463 I HA -0.034 4.136 4.170 0.000 0.000 0.251 463 I C 2.258 178.277 176.117 -0.163 0.000 1.136 463 I CA 1.340 62.589 61.300 -0.086 0.000 1.425 463 I CB -0.097 37.823 38.000 -0.134 0.000 1.079 463 I HN 0.590 nan 8.210 nan 0.000 0.425 464 E N -0.130 120.030 120.200 -0.067 0.000 2.445 464 E HA -0.055 4.295 4.350 0.000 0.000 0.189 464 E C 0.714 177.279 176.600 -0.060 0.000 1.069 464 E CA 0.113 56.478 56.400 -0.060 0.000 0.871 464 E CB 0.033 29.720 29.700 -0.021 0.000 0.991 464 E HN 0.526 nan 8.360 nan 0.000 0.481 465 D N -0.562 119.799 120.400 -0.065 0.000 2.417 465 D HA 0.006 4.646 4.640 0.000 0.000 0.207 465 D C 1.623 177.848 176.300 -0.125 0.000 1.075 465 D CA 0.298 54.262 54.000 -0.060 0.000 0.851 465 D CB 0.976 41.771 40.800 -0.009 0.000 0.976 465 D HN 0.043 nan 8.370 nan 0.000 0.505 466 V N 0.737 120.513 119.914 -0.229 0.000 2.446 466 V HA -0.119 4.001 4.120 0.000 0.000 0.244 466 V C 2.614 178.514 176.094 -0.322 0.000 1.039 466 V CA 0.722 62.779 62.300 -0.406 0.000 1.045 466 V CB -0.104 31.245 31.823 -0.790 0.000 0.681 466 V HN 0.005 nan 8.190 nan 0.000 0.459 467 V N 0.810 120.576 119.914 -0.247 0.000 2.332 467 V HA -0.252 3.868 4.120 0.000 0.000 0.248 467 V C 2.616 178.649 176.094 -0.102 0.000 1.055 467 V CA 2.127 64.339 62.300 -0.147 0.000 1.038 467 V CB -0.988 30.784 31.823 -0.086 0.000 0.651 467 V HN 0.560 nan 8.190 nan 0.000 0.450 468 A N -1.359 121.407 122.820 -0.091 0.000 2.209 468 A HA -0.105 4.215 4.320 0.000 0.000 0.212 468 A C 2.258 179.803 177.584 -0.065 0.000 1.158 468 A CA 1.486 53.485 52.037 -0.063 0.000 0.742 468 A CB -0.235 18.736 19.000 -0.048 0.000 0.790 468 A HN 0.525 nan 8.150 nan 0.000 0.472 469 K N -1.237 119.107 120.400 -0.093 0.000 2.329 469 K HA 0.298 4.618 4.320 0.000 0.000 0.198 469 K C 1.981 178.532 176.600 -0.082 0.000 1.085 469 K CA 0.697 56.935 56.287 -0.081 0.000 0.961 469 K CB 0.042 32.487 32.500 -0.093 0.000 0.971 469 K HN 0.284 nan 8.250 nan 0.000 0.502 470 A N 1.421 124.169 122.820 -0.120 0.000 2.019 470 A HA -0.147 4.173 4.320 0.000 0.000 0.219 470 A C 1.577 179.128 177.584 -0.056 0.000 1.164 470 A CA 1.412 53.387 52.037 -0.104 0.000 0.644 470 A CB -0.293 18.620 19.000 -0.144 0.000 0.805 470 A HN 0.387 nan 8.150 nan 0.000 0.449 471 E N -0.709 119.461 120.200 -0.050 0.000 2.216 471 E HA -0.112 4.238 4.350 0.000 0.000 0.192 471 E C 1.958 178.545 176.600 -0.022 0.000 0.988 471 E CA 0.998 57.380 56.400 -0.030 0.000 0.834 471 E CB -0.035 29.649 29.700 -0.028 0.000 0.772 471 E HN 0.653 nan 8.360 nan 0.000 0.479 472 K N 0.921 121.307 120.400 -0.024 0.000 2.097 472 K HA -0.088 4.232 4.320 0.000 0.000 0.205 472 K C 1.928 178.524 176.600 -0.006 0.000 1.050 472 K CA 0.761 57.039 56.287 -0.014 0.000 0.938 472 K CB 0.091 32.583 32.500 -0.015 0.000 0.718 472 K HN 0.056 nan 8.250 nan 0.000 0.442 473 L N -0.059 121.160 121.223 -0.005 0.000 2.131 473 L HA -0.036 4.304 4.340 0.000 0.000 0.206 473 L C 2.405 179.277 176.870 0.003 0.000 1.087 473 L CA 0.959 55.802 54.840 0.006 0.000 0.767 473 L CB -0.258 41.810 42.059 0.015 0.000 0.917 473 L HN 0.269 nan 8.230 nan 0.000 0.441 474 A N -0.365 122.453 122.820 -0.004 0.000 1.872 474 A HA 0.334 4.654 4.320 0.000 0.000 0.214 474 A C 1.135 178.718 177.584 -0.002 0.000 1.187 474 A CA 1.315 53.350 52.037 -0.003 0.000 0.614 474 A CB -0.218 18.777 19.000 -0.008 0.000 0.826 474 A HN 0.372 nan 8.150 nan 0.000 0.442 475 A N 0.000 122.817 122.820 -0.004 0.000 2.254 475 A HA 0.000 4.320 4.320 0.000 0.000 0.244 475 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 475 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486