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 3ofn_1_X DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEILET GIKVVDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAVGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTVLS RGISELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTYKSLQD IIAILGMDEL SEQDKLTVER DATA SEQUENCE ARKIQRFLSQ PFAVAEVFTG IPGKLVRLKD TVASFKAVLE GKYDNIPEHA DATA SEQUENCE FYMVGGIEDV VAKAEKLAA 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.716 174.700 0.026 0.000 1.109 7 T CA 0.000 62.111 62.100 0.019 0.000 1.349 7 T CB 0.000 68.878 68.868 0.017 0.000 0.612 8 P HA 0.741 nan 4.420 nan 0.000 0.302 8 P C -0.838 176.501 177.300 0.065 0.000 1.307 8 P CA -0.922 62.205 63.100 0.045 0.000 0.754 8 P CB 0.768 32.495 31.700 0.044 0.000 1.298 9 I N 0.351 120.982 120.570 0.101 0.000 2.437 9 I HA 0.231 4.401 4.170 -0.000 0.000 0.279 9 I C 0.033 176.310 176.117 0.265 0.000 1.028 9 I CA -0.387 61.016 61.300 0.171 0.000 1.142 9 I CB 1.340 39.434 38.000 0.158 0.000 1.266 9 I HN 0.348 nan 8.210 nan 0.000 0.461 10 T N 1.636 116.268 114.554 0.130 0.000 2.888 10 T HA 0.872 5.222 4.350 -0.000 0.000 0.284 10 T C 0.064 174.546 174.700 -0.363 0.000 1.017 10 T CA -0.826 61.245 62.100 -0.048 0.000 1.022 10 T CB 2.295 71.132 68.868 -0.052 0.000 1.013 10 T HN 0.585 nan 8.240 nan 0.000 0.465 11 G N -0.264 108.069 108.800 -0.777 0.000 2.733 11 G HA2 0.771 4.731 3.960 -0.000 0.000 0.288 11 G HA3 0.771 4.731 3.960 -0.000 0.000 0.288 11 G C -1.228 173.400 174.900 -0.452 0.000 1.373 11 G CA -0.914 43.626 45.100 -0.935 0.000 0.895 11 G HN 0.932 nan 8.290 nan 0.000 0.479 12 K N -0.398 119.840 120.400 -0.269 0.000 2.203 12 K HA 0.735 5.055 4.320 -0.000 0.000 0.251 12 K C -0.239 176.312 176.600 -0.083 0.000 0.944 12 K CA -0.699 55.508 56.287 -0.135 0.000 0.829 12 K CB 1.667 34.115 32.500 -0.087 0.000 1.125 12 K HN 0.857 nan 8.250 nan 0.000 0.430 13 V N 3.350 123.229 119.914 -0.059 0.000 2.446 13 V HA 0.072 4.192 4.120 -0.000 0.000 0.276 13 V C 1.552 177.638 176.094 -0.013 0.000 1.030 13 V CA 0.780 63.065 62.300 -0.025 0.000 1.033 13 V CB 0.178 31.988 31.823 -0.020 0.000 0.993 13 V HN 1.083 nan 8.190 nan 0.000 0.477 14 T N 1.684 116.243 114.554 0.009 0.000 3.033 14 T HA 0.462 4.812 4.350 -0.000 0.000 0.248 14 T C 0.577 175.282 174.700 0.008 0.000 1.040 14 T CA 0.548 62.653 62.100 0.008 0.000 1.133 14 T CB 0.449 69.335 68.868 0.029 0.000 0.895 14 T HN 0.860 nan 8.240 nan 0.000 0.465 15 A N 0.806 123.635 122.820 0.015 0.000 2.455 15 A HA 0.708 5.028 4.320 -0.000 0.000 0.300 15 A C -1.348 176.244 177.584 0.013 0.000 1.040 15 A CA -0.703 51.342 52.037 0.013 0.000 0.697 15 A CB 1.955 20.965 19.000 0.017 0.000 1.265 15 A HN 0.217 nan 8.150 nan 0.000 0.407 16 V N 2.475 122.394 119.914 0.008 0.000 2.483 16 V HA 0.515 4.635 4.120 -0.000 0.000 0.297 16 V C -1.006 175.092 176.094 0.007 0.000 1.027 16 V CA -0.079 62.226 62.300 0.008 0.000 0.855 16 V CB 1.270 33.096 31.823 0.005 0.000 0.995 16 V HN 0.690 nan 8.190 nan 0.000 0.424 17 I N 4.862 125.437 120.570 0.008 0.000 2.796 17 I HA 0.656 4.826 4.170 -0.000 0.000 0.279 17 I C 0.878 176.998 176.117 0.005 0.000 1.289 17 I CA 0.566 61.870 61.300 0.006 0.000 1.021 17 I CB 1.050 39.053 38.000 0.006 0.000 1.414 17 I HN 0.863 nan 8.210 nan 0.000 0.562 18 G N 3.343 112.146 108.800 0.004 0.000 2.543 18 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.286 18 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.286 18 G C 1.060 175.963 174.900 0.005 0.000 1.153 18 G CA 0.490 45.592 45.100 0.003 0.000 0.968 18 G HN 0.774 nan 8.290 nan 0.000 0.544 19 A N -0.352 122.471 122.820 0.004 0.000 2.216 19 A HA 0.426 4.746 4.320 -0.000 0.000 0.214 19 A C 1.150 178.740 177.584 0.011 0.000 1.160 19 A CA 1.419 53.460 52.037 0.006 0.000 0.725 19 A CB -0.192 18.809 19.000 0.002 0.000 0.784 19 A HN 0.665 nan 8.150 nan 0.000 0.472 20 I N 0.876 121.453 120.570 0.011 0.000 2.331 20 I HA 0.344 4.514 4.170 -0.000 0.000 0.292 20 I C -0.644 175.485 176.117 0.019 0.000 0.998 20 I CA -0.489 60.821 61.300 0.016 0.000 1.267 20 I CB 1.278 39.286 38.000 0.014 0.000 1.386 20 I HN -0.140 nan 8.210 nan 0.000 0.476 21 V N 5.859 125.789 119.914 0.026 0.000 2.531 21 V HA 0.398 4.518 4.120 -0.000 0.000 0.301 21 V C -0.525 175.593 176.094 0.039 0.000 1.034 21 V CA -0.845 61.472 62.300 0.028 0.000 0.865 21 V CB 2.381 34.220 31.823 0.028 0.000 0.995 21 V HN 0.575 nan 8.190 nan 0.000 0.424 22 D N 3.054 123.476 120.400 0.037 0.000 2.168 22 D HA 0.632 5.272 4.640 -0.000 0.000 0.246 22 D C -0.774 175.559 176.300 0.054 0.000 1.050 22 D CA -0.116 53.913 54.000 0.049 0.000 0.857 22 D CB 2.595 43.422 40.800 0.044 0.000 1.169 22 D HN 0.262 nan 8.370 nan 0.000 0.453 23 V N 1.984 121.947 119.914 0.081 0.000 2.577 23 V HA 0.146 4.266 4.120 -0.000 0.000 0.303 23 V C -0.361 175.810 176.094 0.128 0.000 1.042 23 V CA -0.862 61.483 62.300 0.076 0.000 0.872 23 V CB 1.837 33.713 31.823 0.088 0.000 0.998 23 V HN 0.555 nan 8.190 nan 0.000 0.423 24 H N 3.946 123.006 119.070 -0.016 0.000 2.582 24 H HA 0.553 5.109 4.556 -0.000 0.000 0.345 24 H C -1.373 173.918 175.328 -0.062 0.000 1.104 24 H CA -0.170 55.885 56.048 0.011 0.000 1.390 24 H CB 0.876 30.624 29.762 -0.024 0.000 1.461 24 H HN 0.502 nan 8.280 nan 0.000 0.551 25 F N 3.270 122.940 119.950 -0.466 0.000 2.382 25 F HA 0.262 4.789 4.527 -0.000 0.000 0.361 25 F C 1.290 176.940 175.800 -0.250 0.000 1.109 25 F CA 0.149 58.005 58.000 -0.240 0.000 1.031 25 F CB 1.307 40.188 39.000 -0.199 0.000 1.234 25 F HN 0.903 nan 8.300 nan 0.000 0.445 26 E N 1.801 122.088 120.200 0.144 0.000 2.267 26 E HA -0.076 4.274 4.350 -0.000 0.000 0.197 26 E C 1.101 177.774 176.600 0.123 0.000 0.998 26 E CA 1.408 57.933 56.400 0.209 0.000 0.830 26 E CB -0.814 28.968 29.700 0.136 0.000 0.751 26 E HN 0.674 nan 8.360 nan 0.000 0.491 27 Q N -0.235 119.639 119.800 0.123 0.000 2.306 27 Q HA 0.565 4.905 4.340 -0.000 0.000 0.241 27 Q C 1.486 177.516 176.000 0.050 0.000 0.948 27 Q CA 0.226 56.085 55.803 0.094 0.000 0.886 27 Q CB 0.923 29.733 28.738 0.120 0.000 1.227 27 Q HN 0.449 nan 8.270 nan 0.000 0.457 28 S N 0.445 116.161 115.700 0.026 0.000 2.419 28 S HA 0.023 4.493 4.470 -0.000 0.000 0.235 28 S C 0.839 175.423 174.600 -0.026 0.000 1.019 28 S CA 1.607 59.807 58.200 -0.000 0.000 0.982 28 S CB -0.193 63.010 63.200 0.005 0.000 0.789 28 S HN 1.110 nan 8.310 nan 0.000 0.490 29 E N 0.837 121.021 120.200 -0.027 0.000 2.115 29 E HA 0.576 4.926 4.350 -0.000 0.000 0.282 29 E C -0.758 175.739 176.600 -0.171 0.000 0.987 29 E CA -0.565 55.794 56.400 -0.070 0.000 0.797 29 E CB 0.535 30.207 29.700 -0.046 0.000 1.086 29 E HN 0.416 nan 8.360 nan 0.000 0.397 30 L N 3.103 124.175 121.223 -0.252 0.000 2.399 30 L HA 0.547 4.887 4.340 -0.000 0.000 0.265 30 L C -1.851 174.757 176.870 -0.437 0.000 1.089 30 L CA -1.741 52.791 54.840 -0.512 0.000 0.802 30 L CB 1.422 43.152 42.059 -0.548 0.000 1.180 30 L HN 0.482 nan 8.230 nan 0.000 0.454 31 P HA 0.234 nan 4.420 nan 0.000 0.282 31 P C -0.774 176.507 177.300 -0.032 0.000 1.262 31 P CA -0.411 62.508 63.100 -0.302 0.000 0.773 31 P CB 1.090 32.579 31.700 -0.351 0.000 0.879 32 A N 4.723 127.544 122.820 0.002 0.000 2.429 32 A HA 0.208 4.528 4.320 -0.000 0.000 0.242 32 A C 0.703 178.270 177.584 -0.028 0.000 1.088 32 A CA -0.475 51.565 52.037 0.005 0.000 0.784 32 A CB -0.352 18.612 19.000 -0.060 0.000 1.038 32 A HN 0.568 nan 8.150 nan 0.000 0.501 33 I N 0.462 120.952 120.570 -0.134 0.000 2.752 33 I HA -0.010 4.160 4.170 -0.000 0.000 0.287 33 I C 0.560 176.604 176.117 -0.122 0.000 1.188 33 I CA 0.725 61.954 61.300 -0.118 0.000 1.427 33 I CB 0.114 38.010 38.000 -0.173 0.000 1.365 33 I HN 0.713 nan 8.210 nan 0.000 0.585 34 L N 2.101 123.247 121.223 -0.128 0.000 4.885 34 L HA -0.243 4.097 4.340 -0.000 0.000 0.404 34 L C 0.021 176.848 176.870 -0.073 0.000 0.970 34 L CA 0.001 54.726 54.840 -0.191 0.000 1.426 34 L CB -1.839 39.999 42.059 -0.368 0.000 1.934 34 L HN 0.697 nan 8.230 nan 0.000 0.613 35 N N 0.851 119.531 118.700 -0.034 0.000 2.467 35 N HA 0.573 5.313 4.740 -0.000 0.000 0.262 35 N C 0.238 175.764 175.510 0.027 0.000 1.234 35 N CA 0.711 53.760 53.050 -0.002 0.000 0.952 35 N CB 0.909 39.388 38.487 -0.014 0.000 1.158 35 N HN 0.272 nan 8.380 nan 0.000 0.463 36 A N 2.098 124.942 122.820 0.039 0.000 2.273 36 A HA 0.507 4.827 4.320 -0.000 0.000 0.320 36 A C -0.392 177.228 177.584 0.061 0.000 1.358 36 A CA -0.589 51.480 52.037 0.053 0.000 0.910 36 A CB -0.230 18.802 19.000 0.053 0.000 1.159 36 A HN 0.580 nan 8.150 nan 0.000 0.526 37 L N 1.570 122.838 121.223 0.075 0.000 2.375 37 L HA 0.632 4.972 4.340 -0.000 0.000 0.268 37 L C 0.342 177.255 176.870 0.073 0.000 1.058 37 L CA -0.535 54.364 54.840 0.099 0.000 0.803 37 L CB 1.362 43.509 42.059 0.146 0.000 1.212 37 L HN 0.692 nan 8.230 nan 0.000 0.451 38 E N 1.115 121.355 120.200 0.067 0.000 2.369 38 E HA 0.679 5.029 4.350 -0.000 0.000 0.270 38 E C -1.382 175.236 176.600 0.030 0.000 0.909 38 E CA -0.741 55.685 56.400 0.043 0.000 0.775 38 E CB 3.242 32.965 29.700 0.037 0.000 1.270 38 E HN 0.363 nan 8.360 nan 0.000 0.445 39 I N 1.058 121.639 120.570 0.020 0.000 2.619 39 I HA 0.345 4.515 4.170 -0.000 0.000 0.292 39 I C -0.201 175.920 176.117 0.007 0.000 1.100 39 I CA -0.947 60.358 61.300 0.008 0.000 1.043 39 I CB 1.817 39.820 38.000 0.005 0.000 1.239 39 I HN 0.432 nan 8.210 nan 0.000 0.420 40 K N 3.258 123.659 120.400 0.002 0.000 2.349 40 K HA 0.526 4.846 4.320 -0.000 0.000 0.289 40 K C 0.060 176.660 176.600 0.000 0.000 1.064 40 K CA -0.368 55.920 56.287 0.002 0.000 0.947 40 K CB 0.336 32.835 32.500 -0.001 0.000 1.007 40 K HN 0.746 nan 8.250 nan 0.000 0.478 41 T N -0.558 113.997 114.554 0.002 0.000 2.923 41 T HA 0.606 4.956 4.350 -0.000 0.000 0.281 41 T C -1.440 173.261 174.700 0.000 0.000 0.995 41 T CA -1.061 61.040 62.100 0.001 0.000 0.985 41 T CB 1.343 70.213 68.868 0.003 0.000 1.114 41 T HN 0.304 nan 8.240 nan 0.000 0.548 42 P HA 0.127 nan 4.420 nan 0.000 0.220 42 P C 1.148 178.448 177.300 0.000 0.000 1.152 42 P CA 0.769 63.868 63.100 -0.001 0.000 0.812 42 P CB 0.187 31.887 31.700 -0.001 0.000 0.792 43 Q N -1.283 118.517 119.800 0.001 0.000 2.387 43 Q HA 0.342 4.682 4.340 -0.000 0.000 0.212 43 Q C 1.253 177.254 176.000 0.002 0.000 0.925 43 Q CA 0.968 56.771 55.803 0.001 0.000 0.901 43 Q CB 0.055 28.793 28.738 0.000 0.000 1.020 43 Q HN 0.209 nan 8.270 nan 0.000 0.545 44 G N -0.420 108.382 108.800 0.003 0.000 2.871 44 G HA2 0.485 4.445 3.960 -0.000 0.000 0.282 44 G HA3 0.485 4.445 3.960 -0.000 0.000 0.282 44 G C -1.395 173.509 174.900 0.007 0.000 1.212 44 G CA -0.830 44.273 45.100 0.005 0.000 0.812 44 G HN -0.127 nan 8.290 nan 0.000 0.547 45 K N 0.581 120.987 120.400 0.010 0.000 2.339 45 K HA 0.422 4.742 4.320 -0.000 0.000 0.264 45 K C -1.085 175.524 176.600 0.015 0.000 0.986 45 K CA -0.610 55.684 56.287 0.012 0.000 0.866 45 K CB 2.141 34.650 32.500 0.015 0.000 1.103 45 K HN 0.248 nan 8.250 nan 0.000 0.441 46 L N 4.214 125.446 121.223 0.015 0.000 2.410 46 L HA 0.145 4.485 4.340 -0.000 0.000 0.273 46 L C -0.841 176.043 176.870 0.024 0.000 1.152 46 L CA 0.124 54.974 54.840 0.018 0.000 0.855 46 L CB 0.900 42.968 42.059 0.015 0.000 1.129 46 L HN 0.298 nan 8.230 nan 0.000 0.463 47 V N 6.531 126.462 119.914 0.028 0.000 2.540 47 V HA 0.515 4.635 4.120 -0.000 0.000 0.302 47 V C -0.205 175.913 176.094 0.041 0.000 1.035 47 V CA -0.683 61.638 62.300 0.036 0.000 0.873 47 V CB 1.661 33.505 31.823 0.036 0.000 0.992 47 V HN 0.611 nan 8.190 nan 0.000 0.428 48 L N 3.351 124.604 121.223 0.050 0.000 2.386 48 L HA 0.656 4.996 4.340 -0.000 0.000 0.271 48 L C -0.305 176.601 176.870 0.061 0.000 0.993 48 L CA -0.487 54.386 54.840 0.054 0.000 0.819 48 L CB 2.289 44.384 42.059 0.059 0.000 1.294 48 L HN 0.622 nan 8.230 nan 0.000 0.414 49 E N 1.905 122.140 120.200 0.060 0.000 2.156 49 E HA 0.356 4.706 4.350 -0.000 0.000 0.279 49 E C -0.948 175.680 176.600 0.047 0.000 0.965 49 E CA -0.815 55.620 56.400 0.059 0.000 0.789 49 E CB 1.958 31.706 29.700 0.079 0.000 1.098 49 E HN 0.371 nan 8.360 nan 0.000 0.397 50 V N 4.161 124.098 119.914 0.037 0.000 2.509 50 V HA -0.003 4.117 4.120 -0.000 0.000 0.297 50 V C 0.909 177.012 176.094 0.015 0.000 1.014 50 V CA 1.135 63.458 62.300 0.038 0.000 1.127 50 V CB 0.685 32.530 31.823 0.037 0.000 0.925 50 V HN 0.877 nan 8.190 nan 0.000 0.480 51 A N 4.370 127.209 122.820 0.031 0.000 2.127 51 A HA 0.329 4.649 4.320 -0.000 0.000 0.204 51 A C 0.582 178.174 177.584 0.014 0.000 1.243 51 A CA 0.295 52.340 52.037 0.012 0.000 0.887 51 A CB 0.395 19.406 19.000 0.018 0.000 0.933 51 A HN 0.886 nan 8.150 nan 0.000 0.479 52 Q N -0.849 118.985 119.800 0.057 0.000 2.545 52 Q HA 0.331 4.671 4.340 -0.000 0.000 0.273 52 Q C -1.834 174.281 176.000 0.193 0.000 0.975 52 Q CA -0.683 55.163 55.803 0.071 0.000 0.876 52 Q CB 0.593 29.355 28.738 0.041 0.000 1.472 52 Q HN 0.501 nan 8.270 nan 0.000 0.389 53 H N 1.952 121.007 119.070 -0.024 0.000 2.594 53 H HA 0.295 4.851 4.556 -0.000 0.000 0.304 53 H C 0.473 175.794 175.328 -0.011 0.000 1.068 53 H CA -0.417 55.617 56.048 -0.024 0.000 1.308 53 H CB 1.400 31.139 29.762 -0.039 0.000 1.409 53 H HN 0.500 nan 8.280 nan 0.000 0.460 54 L N 2.692 123.963 121.223 0.081 0.000 2.354 54 L HA 0.235 4.575 4.340 -0.000 0.000 0.212 54 L C 1.095 177.989 176.870 0.039 0.000 1.091 54 L CA 0.472 55.343 54.840 0.051 0.000 0.828 54 L CB 0.274 42.357 42.059 0.039 0.000 0.973 54 L HN 0.854 nan 8.230 nan 0.000 0.461 55 G N -0.261 108.554 108.800 0.025 0.000 2.392 55 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.677 55 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.677 55 G C -0.277 174.628 174.900 0.007 0.000 1.334 55 G CA -0.743 44.367 45.100 0.017 0.000 0.961 55 G HN 0.157 nan 8.290 nan 0.000 0.616 56 E N 0.361 120.568 120.200 0.011 0.000 2.238 56 E HA -0.248 4.102 4.350 -0.000 0.000 0.219 56 E C 0.619 177.216 176.600 -0.005 0.000 1.275 56 E CA 0.888 57.304 56.400 0.028 0.000 0.714 56 E CB -1.203 28.534 29.700 0.062 0.000 1.154 56 E HN 0.906 nan 8.360 nan 0.000 0.363 57 N N -0.525 118.122 118.700 -0.088 0.000 2.714 57 N HA -0.168 4.572 4.740 -0.000 0.000 0.253 57 N C -1.020 174.338 175.510 -0.253 0.000 1.024 57 N CA 1.505 54.423 53.050 -0.220 0.000 0.726 57 N CB -0.876 37.425 38.487 -0.310 0.000 0.908 57 N HN 0.199 nan 8.380 nan 0.000 0.542 58 T N -0.338 114.144 114.554 -0.120 0.000 3.011 58 T HA 0.471 4.821 4.350 -0.000 0.000 0.303 58 T C 0.374 175.046 174.700 -0.048 0.000 0.997 58 T CA -0.716 61.365 62.100 -0.032 0.000 1.007 58 T CB 2.540 71.440 68.868 0.053 0.000 1.017 58 T HN 0.194 nan 8.240 nan 0.000 0.443 59 V N 1.511 121.414 119.914 -0.019 0.000 2.834 59 V HA 0.807 4.927 4.120 -0.000 0.000 0.313 59 V C -0.109 176.021 176.094 0.059 0.000 1.060 59 V CA -1.321 60.980 62.300 0.002 0.000 0.989 59 V CB 1.658 33.471 31.823 -0.017 0.000 1.041 59 V HN 0.862 nan 8.190 nan 0.000 0.459 60 R N 1.776 122.317 120.500 0.068 0.000 2.393 60 R HA 0.693 5.033 4.340 -0.000 0.000 0.310 60 R C -0.296 176.039 176.300 0.059 0.000 0.968 60 R CA 0.268 56.403 56.100 0.058 0.000 0.867 60 R CB 1.504 31.832 30.300 0.047 0.000 1.124 60 R HN 1.179 nan 8.270 nan 0.000 0.450 61 T N 2.054 116.640 114.554 0.055 0.000 2.887 61 T HA 0.511 4.860 4.350 -0.000 0.000 0.288 61 T C -0.070 174.654 174.700 0.040 0.000 1.021 61 T CA -0.856 61.276 62.100 0.053 0.000 1.000 61 T CB 0.986 69.893 68.868 0.066 0.000 1.034 61 T HN 0.463 nan 8.240 nan 0.000 0.467 62 I N 2.762 123.355 120.570 0.039 0.000 2.321 62 I HA 0.555 4.725 4.170 -0.000 0.000 0.291 62 I C 0.885 177.024 176.117 0.036 0.000 0.998 62 I CA -1.027 60.293 61.300 0.032 0.000 1.227 62 I CB 1.257 39.275 38.000 0.030 0.000 1.368 62 I HN 0.920 nan 8.210 nan 0.000 0.466 63 A N 6.770 129.608 122.820 0.030 0.000 2.407 63 A HA 0.375 4.695 4.320 -0.000 0.000 0.248 63 A C 0.960 178.562 177.584 0.029 0.000 1.082 63 A CA -0.289 51.766 52.037 0.029 0.000 0.785 63 A CB 0.510 19.524 19.000 0.023 0.000 1.020 63 A HN 0.767 nan 8.150 nan 0.000 0.489 64 M N 0.404 120.023 119.600 0.031 0.000 2.476 64 M HA 0.122 4.602 4.480 -0.000 0.000 0.262 64 M C 0.404 176.719 176.300 0.025 0.000 1.111 64 M CA 0.944 56.262 55.300 0.031 0.000 1.127 64 M CB -0.779 31.842 32.600 0.034 0.000 1.376 64 M HN 0.770 nan 8.290 nan 0.000 0.465 65 D N -1.083 119.330 120.400 0.022 0.000 2.585 65 D HA 0.456 5.096 4.640 -0.000 0.000 0.254 65 D C -0.360 175.948 176.300 0.014 0.000 1.067 65 D CA -0.260 53.750 54.000 0.017 0.000 1.090 65 D CB 2.090 42.900 40.800 0.016 0.000 1.408 65 D HN 0.134 nan 8.370 nan 0.000 0.554 66 G N -0.961 107.846 108.800 0.010 0.000 2.554 66 G HA2 0.271 4.231 3.960 -0.000 0.000 0.238 66 G HA3 0.271 4.231 3.960 -0.000 0.000 0.238 66 G C 0.659 175.564 174.900 0.008 0.000 1.259 66 G CA 0.220 45.325 45.100 0.008 0.000 0.843 66 G HN 0.398 nan 8.290 nan 0.000 0.582 67 T N -1.547 113.011 114.554 0.007 0.000 3.174 67 T HA 0.260 4.610 4.350 -0.000 0.000 0.269 67 T C 0.180 174.882 174.700 0.004 0.000 1.017 67 T CA -0.401 61.702 62.100 0.006 0.000 0.899 67 T CB -0.023 68.849 68.868 0.008 0.000 1.077 67 T HN 0.535 nan 8.240 nan 0.000 0.552 68 E N 1.266 121.468 120.200 0.003 0.000 2.384 68 E HA 0.482 4.832 4.350 -0.000 0.000 0.266 68 E C 1.400 178.001 176.600 0.001 0.000 1.012 68 E CA 0.463 56.864 56.400 0.001 0.000 0.901 68 E CB -0.093 29.607 29.700 0.001 0.000 0.967 68 E HN 0.308 nan 8.360 nan 0.000 0.435 69 G N 2.239 111.038 108.800 -0.001 0.000 2.217 69 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.246 69 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.246 69 G C 0.067 174.965 174.900 -0.003 0.000 0.990 69 G CA -0.301 44.798 45.100 -0.002 0.000 0.627 69 G HN 0.465 nan 8.290 nan 0.000 0.522 70 L N 2.051 123.273 121.223 -0.002 0.000 2.530 70 L HA 0.337 4.677 4.340 -0.000 0.000 0.273 70 L C 0.584 177.451 176.870 -0.005 0.000 1.141 70 L CA -0.063 54.775 54.840 -0.003 0.000 0.905 70 L CB 0.780 42.839 42.059 -0.000 0.000 1.202 70 L HN 0.045 nan 8.230 nan 0.000 0.473 71 V N 5.212 125.121 119.914 -0.008 0.000 2.481 71 V HA 0.321 4.441 4.120 -0.000 0.000 0.286 71 V C 0.604 176.690 176.094 -0.014 0.000 1.042 71 V CA -0.897 61.396 62.300 -0.011 0.000 0.928 71 V CB 1.557 33.373 31.823 -0.012 0.000 0.986 71 V HN 0.712 nan 8.190 nan 0.000 0.462 72 R N 2.190 122.681 120.500 -0.015 0.000 2.811 72 R HA 0.381 4.721 4.340 -0.000 0.000 0.265 72 R C 1.484 177.768 176.300 -0.027 0.000 1.026 72 R CA 1.066 57.154 56.100 -0.019 0.000 1.142 72 R CB 0.010 30.299 30.300 -0.018 0.000 1.027 72 R HN 1.160 nan 8.270 nan 0.000 0.465 73 G N 0.567 109.346 108.800 -0.035 0.000 2.267 73 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.257 73 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.257 73 G C 0.174 175.045 174.900 -0.048 0.000 0.998 73 G CA 0.363 45.435 45.100 -0.046 0.000 0.620 73 G HN 0.639 nan 8.290 nan 0.000 0.529 74 E N 1.515 121.692 120.200 -0.039 0.000 2.534 74 E HA 0.421 4.771 4.350 -0.000 0.000 0.264 74 E C 1.012 177.580 176.600 -0.054 0.000 0.981 74 E CA 0.654 57.031 56.400 -0.038 0.000 0.948 74 E CB 0.190 29.874 29.700 -0.027 0.000 0.934 74 E HN 0.762 nan 8.360 nan 0.000 0.459 75 K N 2.608 122.978 120.400 -0.052 0.000 2.416 75 K HA 0.236 4.556 4.320 -0.000 0.000 0.283 75 K C -0.654 175.906 176.600 -0.067 0.000 1.037 75 K CA -0.191 56.056 56.287 -0.067 0.000 0.995 75 K CB 0.914 33.385 32.500 -0.048 0.000 0.938 75 K HN 0.297 nan 8.250 nan 0.000 0.475 76 V N 3.597 123.445 119.914 -0.110 0.000 2.444 76 V HA 0.386 4.505 4.120 -0.000 0.000 0.294 76 V C -0.653 175.404 176.094 -0.061 0.000 1.022 76 V CA -0.938 61.312 62.300 -0.083 0.000 0.850 76 V CB 1.387 33.149 31.823 -0.102 0.000 0.992 76 V HN 0.848 nan 8.190 nan 0.000 0.426 77 L N 4.369 125.604 121.223 0.020 0.000 2.334 77 L HA 0.641 4.981 4.340 -0.000 0.000 0.277 77 L C -0.307 176.649 176.870 0.143 0.000 1.075 77 L CA 0.207 55.087 54.840 0.068 0.000 0.804 77 L CB 1.453 43.539 42.059 0.045 0.000 1.174 77 L HN 0.706 nan 8.230 nan 0.000 0.438 78 D N 1.266 121.780 120.400 0.189 0.000 2.233 78 D HA 0.235 4.875 4.640 -0.000 0.000 0.240 78 D C 0.746 177.099 176.300 0.089 0.000 1.074 78 D CA 0.147 54.248 54.000 0.168 0.000 0.838 78 D CB 1.589 42.499 40.800 0.183 0.000 1.124 78 D HN 0.710 nan 8.370 nan 0.000 0.475 79 T N 0.577 115.169 114.554 0.063 0.000 3.100 79 T HA 0.266 4.616 4.350 -0.000 0.000 0.253 79 T C 1.149 175.867 174.700 0.030 0.000 1.118 79 T CA 0.271 62.397 62.100 0.043 0.000 1.058 79 T CB -0.363 68.528 68.868 0.039 0.000 0.953 79 T HN 0.777 nan 8.240 nan 0.000 0.515 80 G N 0.418 109.232 108.800 0.023 0.000 2.636 80 G HA2 0.413 4.373 3.960 -0.000 0.000 0.261 80 G HA3 0.413 4.373 3.960 -0.000 0.000 0.261 80 G C 0.387 175.292 174.900 0.008 0.000 1.018 80 G CA -0.268 44.837 45.100 0.008 0.000 1.308 80 G HN 1.892 nan 8.290 nan 0.000 0.514 81 G N 1.007 109.809 108.800 0.004 0.000 2.539 81 G HA2 0.360 4.320 3.960 -0.000 0.000 0.686 81 G HA3 0.360 4.320 3.960 -0.000 0.000 0.686 81 G C -1.921 172.992 174.900 0.023 0.000 1.258 81 G CA -0.175 44.931 45.100 0.009 0.000 0.846 81 G HN 0.820 nan 8.290 nan 0.000 0.647 82 P HA 0.215 nan 4.420 nan 0.000 0.271 82 P C 0.747 178.088 177.300 0.067 0.000 1.228 82 P CA -0.142 62.998 63.100 0.067 0.000 0.797 82 P CB 0.277 32.039 31.700 0.103 0.000 0.914 83 I N -0.070 120.552 120.570 0.087 0.000 2.668 83 I HA -0.020 4.150 4.170 -0.000 0.000 0.285 83 I C 0.588 176.730 176.117 0.042 0.000 1.168 83 I CA 0.662 61.998 61.300 0.060 0.000 1.424 83 I CB -0.257 37.780 38.000 0.062 0.000 1.377 83 I HN 0.171 nan 8.210 nan 0.000 0.560 84 S N 5.834 121.550 115.700 0.026 0.000 2.541 84 S HA 0.630 5.100 4.470 -0.000 0.000 0.283 84 S C -0.166 174.434 174.600 0.000 0.000 1.196 84 S CA -0.827 57.380 58.200 0.012 0.000 1.062 84 S CB 1.898 65.103 63.200 0.008 0.000 1.009 84 S HN 0.518 nan 8.310 nan 0.000 0.502 85 V N -0.178 119.729 119.914 -0.011 0.000 2.823 85 V HA 0.684 4.804 4.120 -0.000 0.000 0.312 85 V C -3.126 172.940 176.094 -0.046 0.000 1.072 85 V CA -3.238 59.048 62.300 -0.023 0.000 0.937 85 V CB 1.173 32.983 31.823 -0.022 0.000 1.013 85 V HN 0.515 nan 8.190 nan 0.000 0.430 86 P HA 0.316 nan 4.420 nan 0.000 0.268 86 P C -0.273 176.943 177.300 -0.140 0.000 1.205 86 P CA 0.197 63.241 63.100 -0.092 0.000 0.771 86 P CB 0.881 32.539 31.700 -0.070 0.000 0.858 87 V N -0.251 119.501 119.914 -0.269 0.000 3.181 87 V HA 0.987 5.107 4.120 -0.000 0.000 0.314 87 V C 0.351 176.012 176.094 -0.723 0.000 1.173 87 V CA -0.271 61.738 62.300 -0.485 0.000 1.052 87 V CB 0.894 32.318 31.823 -0.665 0.000 1.123 87 V HN 0.940 nan 8.190 nan 0.000 0.454 88 G N 0.904 109.032 108.800 -1.120 0.000 2.760 88 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.246 88 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.246 88 G C 0.179 174.814 174.900 -0.443 0.000 1.359 88 G CA 0.196 44.735 45.100 -0.936 0.000 0.861 88 G HN 1.006 nan 8.290 nan 0.000 0.541 89 R N 0.214 120.541 120.500 -0.288 0.000 2.285 89 R HA -0.029 4.311 4.340 -0.000 0.000 0.213 89 R C 1.905 178.180 176.300 -0.042 0.000 1.068 89 R CA 1.296 57.336 56.100 -0.099 0.000 1.004 89 R CB -0.065 30.192 30.300 -0.072 0.000 0.873 89 R HN 0.555 nan 8.270 nan 0.000 0.467 90 E N 0.208 120.365 120.200 -0.071 0.000 2.208 90 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 90 E C 1.973 178.565 176.600 -0.013 0.000 0.988 90 E CA 1.589 57.966 56.400 -0.039 0.000 0.828 90 E CB -0.092 29.573 29.700 -0.058 0.000 0.763 90 E HN 0.430 nan 8.360 nan 0.000 0.478 91 T N -0.730 113.819 114.554 -0.008 0.000 2.915 91 T HA -0.057 4.293 4.350 -0.000 0.000 0.269 91 T C 1.336 176.056 174.700 0.032 0.000 1.071 91 T CA 0.191 62.301 62.100 0.017 0.000 1.132 91 T CB -0.375 68.515 68.868 0.038 0.000 0.878 91 T HN -0.037 nan 8.240 nan 0.000 0.479 92 L N 1.684 122.924 121.223 0.029 0.000 2.490 92 L HA 0.424 4.764 4.340 -0.000 0.000 0.274 92 L C 1.894 178.800 176.870 0.060 0.000 1.201 92 L CA 0.754 55.612 54.840 0.031 0.000 0.869 92 L CB -0.107 41.962 42.059 0.016 0.000 1.123 92 L HN 0.510 nan 8.230 nan 0.000 0.484 93 G N 1.433 110.281 108.800 0.079 0.000 2.304 93 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.252 93 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.252 93 G C 0.513 175.499 174.900 0.144 0.000 1.014 93 G CA -0.219 44.943 45.100 0.102 0.000 0.619 93 G HN 0.492 nan 8.290 nan 0.000 0.525 94 R N 0.329 120.893 120.500 0.106 0.000 2.543 94 R HA 0.719 5.059 4.340 -0.000 0.000 0.268 94 R C 0.358 176.716 176.300 0.097 0.000 1.067 94 R CA -0.682 55.476 56.100 0.096 0.000 1.142 94 R CB 0.488 30.821 30.300 0.055 0.000 1.110 94 R HN 0.389 nan 8.270 nan 0.000 0.549 95 I N 2.181 122.791 120.570 0.067 0.000 2.404 95 I HA 0.438 4.608 4.170 -0.000 0.000 0.293 95 I C -0.045 176.108 176.117 0.061 0.000 0.992 95 I CA -0.603 60.744 61.300 0.078 0.000 1.149 95 I CB 1.282 39.308 38.000 0.044 0.000 1.315 95 I HN 0.271 nan 8.210 nan 0.000 0.446 96 I N 4.925 125.536 120.570 0.068 0.000 2.498 96 I HA 0.346 4.516 4.170 -0.000 0.000 0.290 96 I C -0.155 175.996 176.117 0.057 0.000 1.032 96 I CA -0.817 60.509 61.300 0.043 0.000 1.073 96 I CB 1.561 39.571 38.000 0.018 0.000 1.251 96 I HN 0.476 nan 8.210 nan 0.000 0.426 97 N N 2.656 121.385 118.700 0.048 0.000 2.340 97 N HA -0.005 4.735 4.740 -0.000 0.000 0.236 97 N C 1.084 176.614 175.510 0.032 0.000 1.296 97 N CA -0.067 53.011 53.050 0.048 0.000 0.896 97 N CB 0.962 39.469 38.487 0.033 0.000 1.127 97 N HN 0.551 nan 8.380 nan 0.000 0.442 98 V N 2.088 122.023 119.914 0.035 0.000 2.287 98 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 98 V C 1.864 177.967 176.094 0.015 0.000 1.053 98 V CA 2.056 64.369 62.300 0.021 0.000 1.027 98 V CB -0.575 31.265 31.823 0.028 0.000 0.646 98 V HN 0.689 nan 8.190 nan 0.000 0.447 99 I N -1.087 119.495 120.570 0.021 0.000 2.614 99 I HA 0.226 4.396 4.170 -0.000 0.000 0.258 99 I C 1.725 177.849 176.117 0.012 0.000 1.189 99 I CA 1.287 62.598 61.300 0.019 0.000 1.462 99 I CB -0.773 37.240 38.000 0.022 0.000 1.092 99 I HN 0.466 nan 8.210 nan 0.000 0.442 100 G N 0.264 109.070 108.800 0.011 0.000 2.148 100 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.203 100 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.203 100 G C 0.056 174.959 174.900 0.005 0.000 0.993 100 G CA 0.106 45.209 45.100 0.004 0.000 0.661 100 G HN 0.883 nan 8.290 nan 0.000 0.518 101 E N 1.340 121.546 120.200 0.010 0.000 2.383 101 E HA 0.609 4.959 4.350 -0.000 0.000 0.264 101 E C -2.019 174.587 176.600 0.010 0.000 1.050 101 E CA -1.009 55.397 56.400 0.009 0.000 0.896 101 E CB 0.044 29.750 29.700 0.010 0.000 0.982 101 E HN 0.324 nan 8.360 nan 0.000 0.424 102 P HA 0.231 nan 4.420 nan 0.000 0.282 102 P C 0.154 177.454 177.300 0.000 0.000 1.262 102 P CA 0.039 63.143 63.100 0.007 0.000 0.773 102 P CB 0.321 32.024 31.700 0.005 0.000 0.879 103 I N -0.005 120.563 120.570 -0.003 0.000 3.927 103 I HA 0.211 4.381 4.170 -0.000 0.000 0.332 103 I C 0.475 176.550 176.117 -0.069 0.000 1.485 103 I CA -0.229 61.057 61.300 -0.023 0.000 1.131 103 I CB -0.182 37.813 38.000 -0.009 0.000 1.092 103 I HN 0.046 nan 8.210 nan 0.000 0.410 104 D N 0.632 120.991 120.400 -0.068 0.000 2.349 104 D HA -0.043 4.597 4.640 -0.000 0.000 0.214 104 D C 0.296 176.567 176.300 -0.049 0.000 1.063 104 D CA -0.046 53.886 54.000 -0.113 0.000 0.847 104 D CB -0.247 40.499 40.800 -0.089 0.000 0.933 104 D HN 0.443 nan 8.370 nan 0.000 0.513 105 E N 0.180 120.365 120.200 -0.026 0.000 2.246 105 E HA -0.225 4.125 4.350 -0.000 0.000 0.211 105 E C -0.621 175.984 176.600 0.008 0.000 1.278 105 E CA 0.203 56.597 56.400 -0.009 0.000 0.694 105 E CB -1.122 28.571 29.700 -0.012 0.000 1.166 105 E HN 0.454 nan 8.360 nan 0.000 0.370 106 R N 0.463 120.971 120.500 0.014 0.000 2.674 106 R HA 0.334 4.674 4.340 -0.000 0.000 0.270 106 R C 0.612 176.922 176.300 0.018 0.000 1.492 106 R CA 0.065 56.179 56.100 0.024 0.000 1.624 106 R CB 1.151 31.475 30.300 0.041 0.000 1.307 106 R HN 0.403 nan 8.270 nan 0.000 0.683 107 G N 2.385 111.192 108.800 0.012 0.000 2.633 107 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.263 107 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.263 107 G C -2.310 172.594 174.900 0.006 0.000 1.310 107 G CA -0.886 44.219 45.100 0.008 0.000 0.914 107 G HN 0.276 nan 8.290 nan 0.000 0.569 108 P HA 0.519 nan 4.420 nan 0.000 0.276 108 P C 0.007 177.307 177.300 0.000 0.000 1.261 108 P CA -0.606 62.494 63.100 0.001 0.000 0.800 108 P CB 0.400 32.099 31.700 -0.002 0.000 1.066 109 I N -0.322 120.244 120.570 -0.005 0.000 2.276 109 I HA 0.223 4.393 4.170 -0.000 0.000 0.290 109 I C 1.324 177.429 176.117 -0.020 0.000 1.109 109 I CA -0.338 60.955 61.300 -0.010 0.000 1.229 109 I CB -0.298 37.693 38.000 -0.014 0.000 1.452 109 I HN 0.245 nan 8.210 nan 0.000 0.497 110 K N 4.945 125.335 120.400 -0.016 0.000 3.000 110 K HA 0.272 4.592 4.320 -0.000 0.000 0.265 110 K C 0.477 177.058 176.600 -0.032 0.000 1.260 110 K CA -0.045 56.230 56.287 -0.019 0.000 1.209 110 K CB -1.013 31.481 32.500 -0.010 0.000 1.484 110 K HN 0.719 nan 8.250 nan 0.000 0.283 111 S N -1.422 114.249 115.700 -0.048 0.000 2.713 111 S HA 0.658 5.128 4.470 -0.000 0.000 0.283 111 S C 1.529 176.091 174.600 -0.063 0.000 1.161 111 S CA -0.006 58.151 58.200 -0.072 0.000 0.999 111 S CB 1.737 64.867 63.200 -0.116 0.000 1.039 111 S HN 0.599 nan 8.310 nan 0.000 0.548 112 K N 0.092 120.450 120.400 -0.069 0.000 2.099 112 K HA 0.588 4.908 4.320 -0.000 0.000 0.203 112 K C 1.266 177.834 176.600 -0.054 0.000 1.047 112 K CA 1.297 57.555 56.287 -0.048 0.000 0.963 112 K CB -1.651 30.830 32.500 -0.032 0.000 0.759 112 K HN 1.326 nan 8.250 nan 0.000 0.451 113 L N 1.409 122.581 121.223 -0.087 0.000 2.375 113 L HA 0.820 5.160 4.340 -0.000 0.000 0.271 113 L C 0.252 177.055 176.870 -0.111 0.000 1.107 113 L CA -1.125 53.666 54.840 -0.081 0.000 0.806 113 L CB 0.335 42.357 42.059 -0.062 0.000 1.146 113 L HN 0.528 nan 8.230 nan 0.000 0.447 114 R N 2.273 122.734 120.500 -0.064 0.000 2.515 114 R HA 0.512 4.852 4.340 -0.000 0.000 0.291 114 R C -1.091 175.196 176.300 -0.022 0.000 1.046 114 R CA -0.805 55.261 56.100 -0.056 0.000 0.914 114 R CB 2.092 32.371 30.300 -0.034 0.000 1.191 114 R HN 0.844 nan 8.270 nan 0.000 0.435 115 K N 3.203 123.592 120.400 -0.019 0.000 2.123 115 K HA 0.416 4.736 4.320 -0.000 0.000 0.259 115 K C -2.394 174.215 176.600 0.016 0.000 0.960 115 K CA -1.993 54.303 56.287 0.016 0.000 0.872 115 K CB 1.866 34.392 32.500 0.045 0.000 1.079 115 K HN 0.275 nan 8.250 nan 0.000 0.440 116 P HA 0.072 nan 4.420 nan 0.000 0.276 116 P C 0.841 178.161 177.300 0.034 0.000 1.243 116 P CA -0.159 62.966 63.100 0.042 0.000 0.768 116 P CB 0.252 31.986 31.700 0.057 0.000 0.856 117 I N 0.330 120.907 120.570 0.012 0.000 2.530 117 I HA -0.109 4.061 4.170 -0.000 0.000 0.257 117 I C 0.639 176.655 176.117 -0.168 0.000 1.179 117 I CA 1.059 62.312 61.300 -0.078 0.000 1.440 117 I CB -0.807 37.121 38.000 -0.121 0.000 1.087 117 I HN 0.277 nan 8.210 nan 0.000 0.440 118 H N 2.136 121.211 119.070 0.008 0.000 2.473 118 H HA 0.782 5.338 4.556 -0.000 0.000 0.327 118 H C -0.485 174.846 175.328 0.005 0.000 1.105 118 H CA -0.120 55.932 56.048 0.007 0.000 1.280 118 H CB 1.604 31.373 29.762 0.011 0.000 1.450 118 H HN 0.414 nan 8.280 nan 0.000 0.492 119 A N 3.274 126.158 122.820 0.106 0.000 2.566 119 A HA 0.214 4.534 4.320 -0.000 0.000 0.297 119 A C -0.957 176.658 177.584 0.051 0.000 1.059 119 A CA -0.936 51.139 52.037 0.063 0.000 0.691 119 A CB 1.393 20.414 19.000 0.034 0.000 1.282 119 A HN 0.567 nan 8.150 nan 0.000 0.401 120 D N 3.239 123.664 120.400 0.041 0.000 2.455 120 D HA 0.338 4.978 4.640 -0.000 0.000 0.241 120 D C -1.863 174.453 176.300 0.026 0.000 1.138 120 D CA -0.042 53.978 54.000 0.033 0.000 0.877 120 D CB 0.739 41.554 40.800 0.026 0.000 1.187 120 D HN 0.339 nan 8.370 nan 0.000 0.451 121 P HA 0.205 nan 4.420 nan 0.000 0.275 121 P C -2.557 174.758 177.300 0.024 0.000 1.228 121 P CA -1.221 61.892 63.100 0.022 0.000 0.786 121 P CB -0.268 31.450 31.700 0.029 0.000 0.927 122 P HA -0.066 nan 4.420 nan 0.000 0.263 122 P C 0.754 178.075 177.300 0.034 0.000 1.168 122 P CA 0.581 63.690 63.100 0.015 0.000 0.759 122 P CB 0.076 31.779 31.700 0.004 0.000 0.782 123 S N 2.787 118.508 115.700 0.036 0.000 2.618 123 S HA 0.042 4.512 4.470 -0.000 0.000 0.254 123 S C 0.922 175.587 174.600 0.110 0.000 1.284 123 S CA -0.139 58.105 58.200 0.072 0.000 0.975 123 S CB -0.220 63.017 63.200 0.061 0.000 1.022 123 S HN 0.404 nan 8.310 nan 0.000 0.571 124 F N 0.819 120.769 119.950 0.000 0.000 2.416 124 F HA 0.317 4.844 4.527 -0.000 0.000 0.296 124 F C 2.337 178.136 175.800 -0.002 0.000 1.099 124 F CA 0.518 58.518 58.000 -0.000 0.000 1.427 124 F CB -0.990 38.009 39.000 -0.001 0.000 1.079 124 F HN 0.638 nan 8.300 nan 0.000 0.536 125 A N 0.451 123.202 122.820 -0.116 0.000 1.902 125 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 125 A C 1.889 179.347 177.584 -0.211 0.000 1.181 125 A CA 1.872 53.793 52.037 -0.192 0.000 0.623 125 A CB -0.820 18.149 19.000 -0.051 0.000 0.818 125 A HN 0.512 nan 8.150 nan 0.000 0.443 126 E N 0.394 120.515 120.200 -0.131 0.000 2.494 126 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 126 E C -0.142 176.389 176.600 -0.116 0.000 1.074 126 E CA -0.091 56.248 56.400 -0.101 0.000 0.867 126 E CB 0.101 29.769 29.700 -0.054 0.000 0.924 126 E HN 0.469 nan 8.360 nan 0.000 0.502 127 Q N 0.742 120.430 119.800 -0.187 0.000 2.296 127 Q HA 0.154 4.494 4.340 -0.000 0.000 0.263 127 Q C -0.530 175.383 176.000 -0.146 0.000 1.026 127 Q CA 0.103 55.814 55.803 -0.153 0.000 0.912 127 Q CB 1.609 30.237 28.738 -0.182 0.000 1.198 127 Q HN -0.055 nan 8.270 nan 0.000 0.407 128 S N 2.505 118.155 115.700 -0.084 0.000 2.601 128 S HA 0.361 4.831 4.470 -0.000 0.000 0.312 128 S C -0.398 174.177 174.600 -0.041 0.000 1.107 128 S CA -0.574 57.587 58.200 -0.066 0.000 1.129 128 S CB 0.263 63.432 63.200 -0.052 0.000 0.982 128 S HN 0.551 nan 8.310 nan 0.000 0.469 129 T N 1.912 116.444 114.554 -0.037 0.000 2.875 129 T HA 0.776 5.126 4.350 -0.000 0.000 0.284 129 T C 0.144 174.838 174.700 -0.010 0.000 0.995 129 T CA -0.553 61.537 62.100 -0.016 0.000 1.060 129 T CB 1.388 70.253 68.868 -0.006 0.000 0.967 129 T HN 0.666 nan 8.240 nan 0.000 0.476 130 S N 0.646 116.344 115.700 -0.002 0.000 2.794 130 S HA 0.810 5.280 4.470 -0.000 0.000 0.299 130 S C -0.874 173.731 174.600 0.008 0.000 1.179 130 S CA -0.753 57.447 58.200 0.001 0.000 0.838 130 S CB 1.327 64.527 63.200 0.000 0.000 1.206 130 S HN 1.629 nan 8.310 nan 0.000 0.523 131 A N 0.564 123.389 122.820 0.009 0.000 3.266 131 A HA 0.631 4.951 4.320 -0.000 0.000 0.310 131 A C -0.570 177.020 177.584 0.011 0.000 1.066 131 A CA -0.363 51.682 52.037 0.013 0.000 0.839 131 A CB -0.083 18.923 19.000 0.010 0.000 1.192 131 A HN 0.725 nan 8.150 nan 0.000 0.496 132 E N 1.264 121.474 120.200 0.017 0.000 2.166 132 E HA 0.546 4.896 4.350 -0.000 0.000 0.275 132 E C -0.770 175.847 176.600 0.028 0.000 0.941 132 E CA -0.700 55.711 56.400 0.018 0.000 0.784 132 E CB 0.977 30.688 29.700 0.019 0.000 1.115 132 E HN 0.533 nan 8.360 nan 0.000 0.399 133 I N 3.620 124.203 120.570 0.021 0.000 2.696 133 I HA -0.004 4.166 4.170 -0.000 0.000 0.284 133 I C -0.138 176.009 176.117 0.051 0.000 1.129 133 I CA 0.044 61.363 61.300 0.031 0.000 1.410 133 I CB 0.514 38.516 38.000 0.003 0.000 1.399 133 I HN 0.412 nan 8.210 nan 0.000 0.579 134 L N 6.460 127.732 121.223 0.082 0.000 2.301 134 L HA 0.411 4.751 4.340 -0.000 0.000 0.278 134 L C -0.021 176.892 176.870 0.073 0.000 1.022 134 L CA -0.234 54.663 54.840 0.095 0.000 0.854 134 L CB 0.678 42.821 42.059 0.139 0.000 1.226 134 L HN 0.580 nan 8.230 nan 0.000 0.429 135 E N 1.730 121.954 120.200 0.041 0.000 2.413 135 E HA 0.105 4.455 4.350 -0.000 0.000 0.263 135 E C 0.316 176.916 176.600 -0.001 0.000 1.015 135 E CA 0.893 57.298 56.400 0.008 0.000 0.916 135 E CB 0.807 30.513 29.700 0.010 0.000 0.947 135 E HN 0.812 nan 8.360 nan 0.000 0.440 136 T N 0.094 114.617 114.554 -0.052 0.000 2.964 136 T HA 0.308 4.658 4.350 -0.000 0.000 0.250 136 T C 1.330 175.964 174.700 -0.110 0.000 0.982 136 T CA 0.348 62.403 62.100 -0.075 0.000 0.959 136 T CB 0.602 69.385 68.868 -0.141 0.000 1.141 136 T HN 0.714 nan 8.240 nan 0.000 0.494 137 G N 1.944 110.688 108.800 -0.094 0.000 2.217 137 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.246 137 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.246 137 G C -0.004 174.839 174.900 -0.094 0.000 0.990 137 G CA 0.004 45.050 45.100 -0.091 0.000 0.627 137 G HN 0.668 nan 8.290 nan 0.000 0.522 138 I N 1.726 122.228 120.570 -0.115 0.000 2.301 138 I HA 0.272 4.442 4.170 -0.000 0.000 0.292 138 I C 1.606 177.702 176.117 -0.035 0.000 1.046 138 I CA -0.613 60.660 61.300 -0.045 0.000 1.282 138 I CB 1.225 39.197 38.000 -0.047 0.000 1.409 138 I HN 0.023 nan 8.210 nan 0.000 0.484 139 K N 3.992 124.376 120.400 -0.026 0.000 2.000 139 K HA -0.213 4.107 4.320 -0.000 0.000 0.218 139 K C 1.879 178.380 176.600 -0.165 0.000 1.053 139 K CA 2.061 58.279 56.287 -0.114 0.000 0.946 139 K CB -0.383 32.048 32.500 -0.115 0.000 0.723 139 K HN 0.623 nan 8.250 nan 0.000 0.446 140 V N 0.540 120.403 119.914 -0.086 0.000 2.277 140 V HA -0.296 3.824 4.120 -0.000 0.000 0.253 140 V C 2.311 178.362 176.094 -0.072 0.000 1.067 140 V CA 2.091 64.346 62.300 -0.075 0.000 1.047 140 V CB -1.140 30.711 31.823 0.046 0.000 0.649 140 V HN 0.095 nan 8.190 nan 0.000 0.447 141 V N 0.589 120.478 119.914 -0.042 0.000 2.229 141 V HA -0.207 3.913 4.120 -0.000 0.000 0.243 141 V C 2.405 178.413 176.094 -0.144 0.000 1.042 141 V CA 2.381 64.609 62.300 -0.121 0.000 1.000 141 V CB -0.852 30.815 31.823 -0.260 0.000 0.637 141 V HN 0.493 nan 8.190 nan 0.000 0.446 142 D N -0.404 119.913 120.400 -0.138 0.000 2.311 142 D HA -0.122 4.518 4.640 -0.000 0.000 0.212 142 D C 1.707 178.025 176.300 0.031 0.000 0.972 142 D CA 1.050 55.010 54.000 -0.067 0.000 0.887 142 D CB 0.075 40.840 40.800 -0.058 0.000 0.915 142 D HN 0.365 nan 8.370 nan 0.000 0.497 143 L N -0.675 120.500 121.223 -0.081 0.000 2.265 143 L HA 0.132 4.472 4.340 -0.000 0.000 0.195 143 L C 1.930 178.781 176.870 -0.031 0.000 1.083 143 L CA 0.841 55.593 54.840 -0.147 0.000 0.798 143 L CB -0.264 41.525 42.059 -0.449 0.000 0.989 143 L HN -0.113 nan 8.230 nan 0.000 0.472 144 L N -0.150 121.015 121.223 -0.098 0.000 2.084 144 L HA 0.253 4.593 4.340 -0.000 0.000 0.202 144 L C 0.846 177.711 176.870 -0.009 0.000 1.074 144 L CA 0.690 55.491 54.840 -0.064 0.000 0.757 144 L CB -0.443 41.567 42.059 -0.081 0.000 0.918 144 L HN 0.264 nan 8.230 nan 0.000 0.444 145 A N 0.724 123.547 122.820 0.006 0.000 2.763 145 A HA 0.540 4.860 4.320 -0.000 0.000 0.325 145 A C -2.606 175.009 177.584 0.051 0.000 1.209 145 A CA -1.183 50.886 52.037 0.053 0.000 0.764 145 A CB 0.002 19.058 19.000 0.094 0.000 1.120 145 A HN -0.094 nan 8.150 nan 0.000 0.463 146 P HA 0.367 nan 4.420 nan 0.000 0.281 146 P C -1.008 176.391 177.300 0.166 0.000 1.249 146 P CA -0.195 62.907 63.100 0.003 0.000 0.810 146 P CB 0.728 32.422 31.700 -0.010 0.000 1.008 147 Y N 0.269 120.598 120.300 0.048 0.000 2.304 147 Y HA 0.411 4.961 4.550 -0.000 0.000 0.327 147 Y C 1.123 177.038 175.900 0.025 0.000 1.209 147 Y CA -1.538 56.589 58.100 0.043 0.000 1.299 147 Y CB 0.048 38.539 38.460 0.051 0.000 1.249 147 Y HN 0.379 nan 8.280 nan 0.000 0.519 148 A N 4.133 127.057 122.820 0.173 0.000 2.320 148 A HA 0.416 4.736 4.320 -0.000 0.000 0.287 148 A C 0.394 178.015 177.584 0.061 0.000 1.181 148 A CA -0.806 51.283 52.037 0.087 0.000 0.831 148 A CB -0.045 18.986 19.000 0.052 0.000 1.102 148 A HN 0.820 nan 8.150 nan 0.000 0.513 149 R N 2.319 122.853 120.500 0.058 0.000 2.458 149 R HA 0.332 4.672 4.340 -0.000 0.000 0.303 149 R C 1.158 177.470 176.300 0.020 0.000 1.013 149 R CA 1.535 57.661 56.100 0.043 0.000 1.026 149 R CB -0.153 30.177 30.300 0.050 0.000 0.948 149 R HN 1.699 nan 8.270 nan 0.000 0.417 150 G N 2.532 111.332 108.800 -0.001 0.000 2.198 150 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.257 150 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.257 150 G C 0.084 174.969 174.900 -0.024 0.000 1.042 150 G CA -0.017 45.074 45.100 -0.015 0.000 0.791 150 G HN 0.946 nan 8.290 nan 0.000 0.502 151 G N -1.151 107.627 108.800 -0.036 0.000 2.788 151 G HA2 0.708 4.668 3.960 -0.000 0.000 0.293 151 G HA3 0.708 4.668 3.960 -0.000 0.000 0.293 151 G C -0.611 174.238 174.900 -0.084 0.000 1.305 151 G CA -1.003 44.073 45.100 -0.040 0.000 1.005 151 G HN 0.339 nan 8.290 nan 0.000 0.496 152 K N 0.073 120.428 120.400 -0.075 0.000 2.265 152 K HA 0.507 4.827 4.320 -0.000 0.000 0.267 152 K C -0.822 175.695 176.600 -0.138 0.000 0.994 152 K CA -0.144 56.077 56.287 -0.111 0.000 0.860 152 K CB 1.867 34.326 32.500 -0.069 0.000 1.099 152 K HN 0.284 nan 8.250 nan 0.000 0.448 153 I N 1.469 121.897 120.570 -0.237 0.000 2.378 153 I HA 0.362 4.532 4.170 -0.000 0.000 0.291 153 I C 0.444 176.397 176.117 -0.274 0.000 0.992 153 I CA -0.727 60.383 61.300 -0.317 0.000 1.154 153 I CB 2.067 39.647 38.000 -0.701 0.000 1.315 153 I HN 0.595 nan 8.210 nan 0.000 0.448 154 G N 6.959 115.620 108.800 -0.231 0.000 2.384 154 G HA2 0.638 4.598 3.960 -0.000 0.000 0.316 154 G HA3 0.638 4.598 3.960 -0.000 0.000 0.316 154 G C -0.565 174.102 174.900 -0.388 0.000 1.160 154 G CA -0.573 44.283 45.100 -0.408 0.000 0.936 154 G HN 0.502 nan 8.290 nan 0.000 0.455 155 L N 2.797 123.802 121.223 -0.365 0.000 2.282 155 L HA 0.386 4.726 4.340 -0.000 0.000 0.287 155 L C -0.490 176.178 176.870 -0.337 0.000 1.075 155 L CA -0.557 54.133 54.840 -0.251 0.000 0.839 155 L CB 0.164 42.145 42.059 -0.131 0.000 1.219 155 L HN 0.336 nan 8.230 nan 0.000 0.434 156 F N 1.442 121.339 119.950 -0.089 0.000 2.384 156 F HA 0.695 5.222 4.527 -0.000 0.000 0.338 156 F C 1.032 176.781 175.800 -0.084 0.000 1.103 156 F CA -0.152 57.795 58.000 -0.089 0.000 1.157 156 F CB 1.818 40.781 39.000 -0.061 0.000 1.167 156 F HN 0.462 nan 8.300 nan 0.000 0.529 157 G N 0.977 109.824 108.800 0.078 0.000 2.733 157 G HA2 0.489 4.449 3.960 -0.000 0.000 0.297 157 G HA3 0.489 4.449 3.960 -0.000 0.000 0.297 157 G C -0.827 173.999 174.900 -0.123 0.000 1.452 157 G CA -0.518 44.581 45.100 -0.002 0.000 0.940 157 G HN 0.928 nan 8.290 nan 0.000 0.547 158 G N -0.357 108.350 108.800 -0.154 0.000 2.621 158 G HA2 0.670 4.630 3.960 -0.000 0.000 0.271 158 G HA3 0.670 4.630 3.960 -0.000 0.000 0.271 158 G C 0.760 175.569 174.900 -0.152 0.000 1.236 158 G CA 0.330 45.254 45.100 -0.292 0.000 0.958 158 G HN 1.660 nan 8.290 nan 0.000 0.512 159 A N -1.251 121.516 122.820 -0.089 0.000 2.548 159 A HA 0.494 4.814 4.320 -0.000 0.000 0.247 159 A C 1.583 179.223 177.584 0.094 0.000 1.067 159 A CA 1.253 53.388 52.037 0.163 0.000 0.757 159 A CB -0.644 18.509 19.000 0.254 0.000 0.996 159 A HN 2.579 nan 8.150 nan 0.000 0.504 160 G N 0.695 109.560 108.800 0.109 0.000 2.159 160 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.256 160 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.256 160 G C 0.763 175.704 174.900 0.068 0.000 0.977 160 G CA 0.836 45.980 45.100 0.073 0.000 0.652 160 G HN 2.036 nan 8.290 nan 0.000 0.531 161 V N -3.274 116.686 119.914 0.077 0.000 2.992 161 V HA 0.643 4.763 4.120 -0.000 0.000 0.250 161 V C 1.803 177.988 176.094 0.151 0.000 1.090 161 V CA 1.517 63.874 62.300 0.094 0.000 1.101 161 V CB 0.304 32.151 31.823 0.042 0.000 0.743 161 V HN 1.992 nan 8.190 nan 0.000 0.468 162 G N 0.076 108.957 108.800 0.135 0.000 2.731 162 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.219 162 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.219 162 G C 0.548 175.585 174.900 0.228 0.000 0.989 162 G CA 0.102 45.312 45.100 0.184 0.000 0.871 162 G HN 0.386 nan 8.290 nan 0.000 0.591 163 K N 0.203 120.705 120.400 0.170 0.000 2.032 163 K HA -0.080 4.240 4.320 -0.000 0.000 0.209 163 K C 2.455 179.212 176.600 0.261 0.000 1.048 163 K CA 1.963 58.357 56.287 0.178 0.000 0.927 163 K CB -0.289 32.284 32.500 0.122 0.000 0.712 163 K HN 0.283 nan 8.250 nan 0.000 0.441 164 T N 1.279 115.971 114.554 0.230 0.000 2.639 164 T HA -0.105 4.245 4.350 -0.000 0.000 0.261 164 T C 2.136 176.987 174.700 0.253 0.000 1.053 164 T CA 1.294 63.534 62.100 0.234 0.000 1.158 164 T CB -0.394 68.590 68.868 0.193 0.000 0.863 164 T HN -0.070 nan 8.240 nan 0.000 0.413 165 V N 1.155 121.219 119.914 0.250 0.000 2.277 165 V HA -0.230 3.890 4.120 -0.000 0.000 0.253 165 V C 2.052 178.367 176.094 0.368 0.000 1.067 165 V CA 1.931 64.401 62.300 0.282 0.000 1.047 165 V CB -0.773 31.203 31.823 0.256 0.000 0.649 165 V HN 0.385 nan 8.190 nan 0.000 0.447 166 F N -0.379 119.753 119.950 0.303 0.000 2.102 166 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 166 F C 2.159 178.089 175.800 0.216 0.000 1.105 166 F CA 1.966 60.184 58.000 0.362 0.000 1.239 166 F CB -0.154 39.035 39.000 0.315 0.000 0.991 166 F HN 0.021 nan 8.300 nan 0.000 0.474 167 I N -0.280 120.531 120.570 0.402 0.000 2.493 167 I HA -0.289 3.881 4.170 -0.000 0.000 0.254 167 I C 2.125 178.289 176.117 0.077 0.000 1.160 167 I CA 1.132 62.596 61.300 0.275 0.000 1.445 167 I CB -0.258 37.925 38.000 0.305 0.000 1.086 167 I HN 0.285 nan 8.210 nan 0.000 0.433 168 Q N -0.203 119.640 119.800 0.070 0.000 2.167 168 Q HA -0.262 4.078 4.340 -0.000 0.000 0.202 168 Q C 1.917 177.841 176.000 -0.126 0.000 0.970 168 Q CA 1.364 57.145 55.803 -0.037 0.000 0.855 168 Q CB 0.018 28.769 28.738 0.022 0.000 0.911 168 Q HN 0.350 nan 8.270 nan 0.000 0.438 169 E N 0.907 121.006 120.200 -0.169 0.000 2.107 169 E HA -0.083 4.267 4.350 -0.000 0.000 0.191 169 E C 1.712 178.104 176.600 -0.347 0.000 0.982 169 E CA 0.671 56.844 56.400 -0.378 0.000 0.809 169 E CB -0.077 29.099 29.700 -0.873 0.000 0.756 169 E HN 0.261 nan 8.360 nan 0.000 0.459 170 L N 0.012 121.083 121.223 -0.253 0.000 2.131 170 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 170 L C 2.204 179.027 176.870 -0.078 0.000 1.092 170 L CA 0.766 55.557 54.840 -0.082 0.000 0.759 170 L CB -0.296 41.857 42.059 0.156 0.000 0.903 170 L HN 0.226 nan 8.230 nan 0.000 0.435 171 I N -0.274 120.130 120.570 -0.278 0.000 2.162 171 I HA -0.282 3.888 4.170 -0.000 0.000 0.238 171 I C 2.260 178.260 176.117 -0.195 0.000 1.076 171 I CA 1.356 62.420 61.300 -0.393 0.000 1.353 171 I CB -0.307 37.351 38.000 -0.571 0.000 1.063 171 I HN 0.246 nan 8.210 nan 0.000 0.408 172 N N 0.883 119.471 118.700 -0.186 0.000 2.137 172 N HA -0.216 4.524 4.740 -0.000 0.000 0.190 172 N C 1.533 176.972 175.510 -0.119 0.000 1.017 172 N CA 1.642 54.606 53.050 -0.142 0.000 0.859 172 N CB -0.029 38.370 38.487 -0.147 0.000 1.002 172 N HN 0.231 nan 8.380 nan 0.000 0.428 173 N N -0.717 117.901 118.700 -0.136 0.000 2.251 173 N HA 0.127 4.867 4.740 -0.000 0.000 0.181 173 N C 1.394 176.881 175.510 -0.039 0.000 1.019 173 N CA 0.767 53.754 53.050 -0.104 0.000 0.862 173 N CB 0.127 38.522 38.487 -0.152 0.000 0.992 173 N HN 0.301 nan 8.380 nan 0.000 0.429 174 I N 0.041 120.610 120.570 -0.002 0.000 2.726 174 I HA 0.078 4.248 4.170 -0.000 0.000 0.243 174 I C 2.130 178.294 176.117 0.077 0.000 1.082 174 I CA 0.375 61.711 61.300 0.061 0.000 1.447 174 I CB -0.371 37.697 38.000 0.114 0.000 1.250 174 I HN -0.015 nan 8.210 nan 0.000 0.453 175 A N 1.621 124.491 122.820 0.084 0.000 1.863 175 A HA -0.388 3.932 4.320 -0.000 0.000 0.218 175 A C 2.540 180.170 177.584 0.077 0.000 1.233 175 A CA 3.696 55.792 52.037 0.097 0.000 0.655 175 A CB -1.448 17.582 19.000 0.050 0.000 0.839 175 A HN 0.330 nan 8.150 nan 0.000 0.454 176 K N -0.932 119.482 120.400 0.024 0.000 2.023 176 K HA -0.015 4.305 4.320 -0.000 0.000 0.227 176 K C 1.651 178.269 176.600 0.030 0.000 1.054 176 K CA 2.407 58.702 56.287 0.014 0.000 0.977 176 K CB -1.786 30.706 32.500 -0.014 0.000 0.733 176 K HN 1.737 nan 8.250 nan 0.000 0.451 177 A N 0.539 123.379 122.820 0.033 0.000 3.015 177 A HA 0.507 4.827 4.320 -0.000 0.000 0.293 177 A C 0.711 178.342 177.584 0.079 0.000 1.572 177 A CA 0.548 52.602 52.037 0.030 0.000 1.274 177 A CB -0.450 18.555 19.000 0.009 0.000 1.156 177 A HN 0.741 nan 8.150 nan 0.000 0.562 178 H N 0.504 119.556 119.070 -0.031 0.000 2.521 178 H HA 0.378 4.934 4.556 -0.000 0.000 0.267 178 H C 1.526 176.817 175.328 -0.062 0.000 0.963 178 H CA 1.795 57.825 56.048 -0.030 0.000 1.175 178 H CB 0.687 30.443 29.762 -0.009 0.000 1.450 178 H HN 0.836 nan 8.280 nan 0.000 0.472 179 G N -0.318 108.360 108.800 -0.204 0.000 2.475 179 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.209 179 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.209 179 G C 1.014 175.705 174.900 -0.349 0.000 1.127 179 G CA 0.269 45.198 45.100 -0.285 0.000 0.681 179 G HN 0.827 nan 8.290 nan 0.000 0.517 180 G N -0.112 108.466 108.800 -0.369 0.000 2.563 180 G HA2 0.572 4.532 3.960 -0.000 0.000 0.283 180 G HA3 0.572 4.532 3.960 -0.000 0.000 0.283 180 G C -0.283 174.514 174.900 -0.172 0.000 1.309 180 G CA -0.432 44.547 45.100 -0.202 0.000 1.022 180 G HN 0.365 nan 8.290 nan 0.000 0.501 181 F N -0.742 119.249 119.950 0.068 0.000 2.403 181 F HA 0.572 5.099 4.527 -0.000 0.000 0.326 181 F C 0.806 176.542 175.800 -0.106 0.000 1.081 181 F CA -0.310 57.638 58.000 -0.086 0.000 1.041 181 F CB 2.071 40.839 39.000 -0.387 0.000 1.234 181 F HN 0.197 nan 8.300 nan 0.000 0.503 182 S N 0.517 116.284 115.700 0.112 0.000 2.542 182 S HA 0.761 5.231 4.470 -0.000 0.000 0.293 182 S C -1.207 173.411 174.600 0.029 0.000 1.089 182 S CA -0.797 57.447 58.200 0.074 0.000 0.961 182 S CB 2.045 65.379 63.200 0.223 0.000 1.062 182 S HN 0.287 nan 8.310 nan 0.000 0.483 183 V N 2.993 122.920 119.914 0.022 0.000 2.483 183 V HA 0.493 4.613 4.120 -0.000 0.000 0.297 183 V C -1.095 175.069 176.094 0.117 0.000 1.027 183 V CA -0.674 61.638 62.300 0.020 0.000 0.855 183 V CB 1.059 32.843 31.823 -0.065 0.000 0.995 183 V HN 0.844 nan 8.190 nan 0.000 0.424 184 F N 3.532 123.484 119.950 0.003 0.000 2.420 184 F HA 0.708 5.235 4.527 -0.000 0.000 0.342 184 F C 0.359 176.035 175.800 -0.208 0.000 1.113 184 F CA 0.064 58.053 58.000 -0.018 0.000 1.059 184 F CB 1.670 40.657 39.000 -0.023 0.000 1.128 184 F HN 0.507 nan 8.300 nan 0.000 0.475 185 T N 4.458 118.671 114.554 -0.568 0.000 2.809 185 T HA 0.478 4.828 4.350 -0.000 0.000 0.284 185 T C -0.003 174.410 174.700 -0.477 0.000 0.992 185 T CA -0.691 61.140 62.100 -0.449 0.000 0.957 185 T CB 1.306 69.997 68.868 -0.295 0.000 0.942 185 T HN 0.865 nan 8.240 nan 0.000 0.439 186 G N 1.970 110.622 108.800 -0.247 0.000 2.457 186 G HA2 0.503 4.463 3.960 -0.000 0.000 0.316 186 G HA3 0.503 4.463 3.960 -0.000 0.000 0.316 186 G C -0.383 174.640 174.900 0.206 0.000 1.030 186 G CA -0.407 44.843 45.100 0.250 0.000 1.073 186 G HN 0.675 nan 8.290 nan 0.000 0.430 187 V N 2.716 122.687 119.914 0.096 0.000 2.311 187 V HA 0.584 4.704 4.120 -0.000 0.000 0.275 187 V C 1.141 177.299 176.094 0.107 0.000 1.022 187 V CA 0.324 62.674 62.300 0.085 0.000 0.830 187 V CB 0.633 32.475 31.823 0.033 0.000 1.012 187 V HN 1.287 nan 8.190 nan 0.000 0.452 188 G N 3.497 112.362 108.800 0.110 0.000 2.272 188 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.280 188 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.280 188 G C 0.002 174.955 174.900 0.088 0.000 1.067 188 G CA 0.241 45.389 45.100 0.081 0.000 0.902 188 G HN 0.589 nan 8.290 nan 0.000 0.500 189 E N -0.968 119.304 120.200 0.120 0.000 2.476 189 E HA 0.442 4.792 4.350 -0.000 0.000 0.246 189 E C 0.654 177.306 176.600 0.087 0.000 0.872 189 E CA -1.050 55.421 56.400 0.117 0.000 0.867 189 E CB 0.853 30.658 29.700 0.176 0.000 1.533 189 E HN 0.366 nan 8.360 nan 0.000 0.399 190 R N 0.371 120.917 120.500 0.077 0.000 2.442 190 R HA 0.183 4.523 4.340 -0.000 0.000 0.291 190 R C 1.125 177.414 176.300 -0.020 0.000 1.069 190 R CA 0.111 56.230 56.100 0.031 0.000 1.022 190 R CB 0.332 30.654 30.300 0.037 0.000 0.976 190 R HN 0.453 nan 8.270 nan 0.000 0.443 191 T N 2.380 116.898 114.554 -0.060 0.000 2.674 191 T HA -0.205 4.145 4.350 -0.000 0.000 0.265 191 T C 1.816 176.423 174.700 -0.156 0.000 1.039 191 T CA 1.298 63.309 62.100 -0.148 0.000 1.150 191 T CB -0.169 68.629 68.868 -0.118 0.000 0.864 191 T HN 0.589 nan 8.240 nan 0.000 0.427 192 R N 1.307 121.759 120.500 -0.081 0.000 2.133 192 R HA -0.237 4.103 4.340 -0.000 0.000 0.245 192 R C 2.166 178.438 176.300 -0.046 0.000 1.137 192 R CA 2.213 58.281 56.100 -0.054 0.000 0.947 192 R CB -0.378 29.911 30.300 -0.018 0.000 0.865 192 R HN 0.525 nan 8.270 nan 0.000 0.437 193 E N -1.116 119.073 120.200 -0.018 0.000 2.171 193 E HA -0.181 4.169 4.350 -0.000 0.000 0.197 193 E C 1.832 178.417 176.600 -0.025 0.000 0.997 193 E CA 1.220 57.629 56.400 0.015 0.000 0.810 193 E CB -0.221 29.525 29.700 0.078 0.000 0.738 193 E HN 0.675 nan 8.360 nan 0.000 0.467 194 G N 1.192 109.905 108.800 -0.144 0.000 2.395 194 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.214 194 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.214 194 G C 1.436 176.211 174.900 -0.210 0.000 1.177 194 G CA 0.439 45.331 45.100 -0.346 0.000 0.794 194 G HN 0.163 nan 8.290 nan 0.000 0.532 195 N N 1.245 119.837 118.700 -0.179 0.000 2.137 195 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 195 N C 1.620 177.143 175.510 0.022 0.000 1.017 195 N CA 1.599 54.616 53.050 -0.055 0.000 0.859 195 N CB -0.266 38.185 38.487 -0.059 0.000 1.002 195 N HN 0.136 nan 8.380 nan 0.000 0.428 196 D N 0.623 121.015 120.400 -0.013 0.000 2.092 196 D HA -0.143 4.497 4.640 -0.000 0.000 0.193 196 D C 1.968 178.257 176.300 -0.019 0.000 0.994 196 D CA 0.561 54.555 54.000 -0.010 0.000 0.828 196 D CB -0.444 40.349 40.800 -0.010 0.000 0.963 196 D HN 0.220 nan 8.370 nan 0.000 0.450 197 L N -0.234 120.969 121.223 -0.034 0.000 2.131 197 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 197 L C 2.118 178.988 176.870 0.000 0.000 1.092 197 L CA 1.351 56.142 54.840 -0.082 0.000 0.759 197 L CB -0.574 41.355 42.059 -0.217 0.000 0.903 197 L HN 0.051 nan 8.230 nan 0.000 0.435 198 Y N 0.267 120.534 120.300 -0.054 0.000 2.145 198 Y HA -0.261 4.289 4.550 -0.000 0.000 0.286 198 Y C 2.893 178.772 175.900 -0.035 0.000 1.145 198 Y CA 2.133 60.219 58.100 -0.023 0.000 1.148 198 Y CB -0.266 38.188 38.460 -0.010 0.000 0.981 198 Y HN 0.160 nan 8.280 nan 0.000 0.507 199 R N 0.177 120.658 120.500 -0.032 0.000 2.081 199 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 199 R C 2.373 178.596 176.300 -0.128 0.000 1.131 199 R CA 1.938 57.972 56.100 -0.109 0.000 0.960 199 R CB -0.359 29.923 30.300 -0.030 0.000 0.856 199 R HN 0.519 nan 8.270 nan 0.000 0.436 200 E N 0.602 120.743 120.200 -0.099 0.000 2.072 200 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 200 E C 1.902 178.431 176.600 -0.118 0.000 0.985 200 E CA 1.404 57.744 56.400 -0.101 0.000 0.801 200 E CB -0.455 29.189 29.700 -0.094 0.000 0.750 200 E HN 0.302 nan 8.360 nan 0.000 0.452 201 M N -0.109 119.411 119.600 -0.133 0.000 2.159 201 M HA -0.046 4.433 4.480 -0.000 0.000 0.263 201 M C 2.280 178.495 176.300 -0.142 0.000 1.063 201 M CA 1.587 56.813 55.300 -0.125 0.000 1.110 201 M CB -0.596 31.944 32.600 -0.099 0.000 1.374 201 M HN 0.219 nan 8.290 nan 0.000 0.411 202 K N 0.749 121.022 120.400 -0.211 0.000 2.001 202 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 202 K C 2.465 178.989 176.600 -0.127 0.000 1.048 202 K CA 1.887 58.055 56.287 -0.198 0.000 0.932 202 K CB -0.436 31.892 32.500 -0.287 0.000 0.715 202 K HN 0.422 nan 8.250 nan 0.000 0.437 203 E N 0.634 120.764 120.200 -0.118 0.000 2.097 203 E HA -0.243 4.106 4.350 -0.000 0.000 0.196 203 E C 1.867 178.424 176.600 -0.071 0.000 1.000 203 E CA 2.203 58.553 56.400 -0.085 0.000 0.804 203 E CB -1.661 27.992 29.700 -0.078 0.000 0.740 203 E HN 0.628 nan 8.360 nan 0.000 0.454 204 T N -4.360 110.149 114.554 -0.075 0.000 2.995 204 T HA 0.319 4.669 4.350 -0.000 0.000 0.269 204 T C 2.042 176.711 174.700 -0.052 0.000 1.091 204 T CA 1.359 63.422 62.100 -0.062 0.000 1.128 204 T CB 0.080 68.908 68.868 -0.066 0.000 0.891 204 T HN 1.617 nan 8.240 nan 0.000 0.492 205 G N 0.111 108.876 108.800 -0.058 0.000 2.176 205 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.253 205 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.253 205 G C 0.948 175.830 174.900 -0.031 0.000 0.979 205 G CA 0.244 45.318 45.100 -0.044 0.000 0.641 205 G HN 0.555 nan 8.290 nan 0.000 0.530 206 V N 0.370 120.264 119.914 -0.034 0.000 2.490 206 V HA 0.079 4.199 4.120 -0.000 0.000 0.250 206 V C 1.628 177.723 176.094 0.001 0.000 1.061 206 V CA 1.916 64.209 62.300 -0.012 0.000 1.064 206 V CB -0.208 31.603 31.823 -0.019 0.000 0.670 206 V HN 0.512 nan 8.190 nan 0.000 0.461 207 I N 0.339 120.891 120.570 -0.030 0.000 2.377 207 I HA 0.323 4.493 4.170 -0.000 0.000 0.293 207 I C -0.196 175.894 176.117 -0.044 0.000 0.987 207 I CA 0.014 61.300 61.300 -0.025 0.000 1.185 207 I CB 1.395 39.369 38.000 -0.043 0.000 1.341 207 I HN 0.102 nan 8.210 nan 0.000 0.455 208 N N 4.126 122.819 118.700 -0.011 0.000 2.549 208 N HA 0.426 5.166 4.740 -0.000 0.000 0.281 208 N C 0.694 176.206 175.510 0.004 0.000 1.084 208 N CA -0.239 52.804 53.050 -0.012 0.000 0.862 208 N CB 1.712 40.202 38.487 0.004 0.000 1.333 208 N HN 0.516 nan 8.380 nan 0.000 0.523 209 L N 1.923 123.143 121.223 -0.006 0.000 2.017 209 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 209 L C 1.936 178.817 176.870 0.019 0.000 1.073 209 L CA 1.970 56.819 54.840 0.016 0.000 0.745 209 L CB -1.170 40.897 42.059 0.014 0.000 0.894 209 L HN 0.670 nan 8.230 nan 0.000 0.432 210 E N -0.449 119.757 120.200 0.010 0.000 2.112 210 E HA 0.159 4.509 4.350 -0.000 0.000 0.190 210 E C 1.792 178.402 176.600 0.017 0.000 0.979 210 E CA 0.635 57.042 56.400 0.012 0.000 0.814 210 E CB -0.172 29.532 29.700 0.007 0.000 0.762 210 E HN 0.740 nan 8.360 nan 0.000 0.460 211 G N 0.704 109.514 108.800 0.016 0.000 2.666 211 G HA2 0.196 4.156 3.960 -0.000 0.000 0.207 211 G HA3 0.196 4.156 3.960 -0.000 0.000 0.207 211 G C -0.476 174.446 174.900 0.037 0.000 1.481 211 G CA -0.386 44.728 45.100 0.023 0.000 1.071 211 G HN 0.209 nan 8.290 nan 0.000 0.572 212 E N -1.427 118.801 120.200 0.048 0.000 2.244 212 E HA 0.660 5.010 4.350 -0.000 0.000 0.266 212 E C -1.318 175.335 176.600 0.087 0.000 0.914 212 E CA -0.784 55.661 56.400 0.074 0.000 0.794 212 E CB 2.008 31.764 29.700 0.093 0.000 1.210 212 E HN 0.198 nan 8.360 nan 0.000 0.414 213 S N 0.515 116.286 115.700 0.117 0.000 2.532 213 S HA 0.553 5.023 4.470 -0.000 0.000 0.301 213 S C 0.365 175.096 174.600 0.217 0.000 1.083 213 S CA -0.447 57.827 58.200 0.122 0.000 1.025 213 S CB 1.605 64.858 63.200 0.087 0.000 1.056 213 S HN 0.682 nan 8.310 nan 0.000 0.494 214 K N 0.080 120.594 120.400 0.191 0.000 2.372 214 K HA 0.615 4.935 4.320 -0.000 0.000 0.200 214 K C 0.056 176.813 176.600 0.262 0.000 1.022 214 K CA -0.047 56.401 56.287 0.268 0.000 1.125 214 K CB 0.166 32.722 32.500 0.093 0.000 0.855 214 K HN 0.540 nan 8.250 nan 0.000 0.524 215 V N -0.493 119.520 119.914 0.165 0.000 2.969 215 V HA 0.769 4.889 4.120 -0.000 0.000 0.304 215 V C -1.703 174.427 176.094 0.061 0.000 1.192 215 V CA -0.679 61.682 62.300 0.102 0.000 0.962 215 V CB 1.840 33.724 31.823 0.103 0.000 1.045 215 V HN 0.552 nan 8.190 nan 0.000 0.428 216 A N 6.400 129.233 122.820 0.021 0.000 2.324 216 A HA 0.919 5.239 4.320 -0.000 0.000 0.330 216 A C -1.118 176.495 177.584 0.048 0.000 1.165 216 A CA -0.675 51.379 52.037 0.028 0.000 0.813 216 A CB 1.210 20.205 19.000 -0.008 0.000 1.197 216 A HN 0.914 nan 8.150 nan 0.000 0.484 217 L N 2.504 123.762 121.223 0.058 0.000 2.287 217 L HA 0.558 4.898 4.340 -0.000 0.000 0.287 217 L C -0.848 175.982 176.870 -0.067 0.000 1.022 217 L CA -0.771 54.077 54.840 0.012 0.000 0.814 217 L CB 1.584 43.728 42.059 0.143 0.000 1.217 217 L HN 0.415 nan 8.230 nan 0.000 0.420 218 V N 3.168 122.941 119.914 -0.235 0.000 2.555 218 V HA 0.546 4.666 4.120 -0.000 0.000 0.302 218 V C -0.706 175.129 176.094 -0.433 0.000 1.038 218 V CA -0.519 61.660 62.300 -0.202 0.000 0.887 218 V CB 1.939 33.684 31.823 -0.130 0.000 0.991 218 V HN 0.378 nan 8.190 nan 0.000 0.434 219 F N 1.430 121.416 119.950 0.059 0.000 2.578 219 F HA 0.818 5.345 4.527 -0.000 0.000 0.311 219 F C 0.481 176.303 175.800 0.036 0.000 1.094 219 F CA -0.741 57.295 58.000 0.061 0.000 0.923 219 F CB 2.673 41.706 39.000 0.055 0.000 1.230 219 F HN 0.577 nan 8.300 nan 0.000 0.450 220 G N 3.320 112.302 108.800 0.303 0.000 2.919 220 G HA2 0.380 4.340 3.960 -0.000 0.000 0.303 220 G HA3 0.380 4.340 3.960 -0.000 0.000 0.303 220 G C -1.083 173.915 174.900 0.163 0.000 1.611 220 G CA -0.508 44.692 45.100 0.168 0.000 0.876 220 G HN 0.277 nan 8.290 nan 0.000 0.481 221 Q N 1.080 120.961 119.800 0.135 0.000 2.177 221 Q HA 0.313 4.652 4.340 -0.000 0.000 0.183 221 Q C 2.155 178.192 176.000 0.061 0.000 1.040 221 Q CA -0.702 55.162 55.803 0.102 0.000 1.089 221 Q CB 0.647 29.405 28.738 0.034 0.000 1.130 221 Q HN 0.728 nan 8.270 nan 0.000 0.575 222 M N -0.300 119.326 119.600 0.043 0.000 2.549 222 M HA -0.052 4.428 4.480 -0.000 0.000 0.260 222 M C 0.940 177.248 176.300 0.014 0.000 1.076 222 M CA 1.316 56.631 55.300 0.025 0.000 1.090 222 M CB -0.403 32.208 32.600 0.018 0.000 1.418 222 M HN 0.373 nan 8.290 nan 0.000 0.486 223 N N 0.793 119.499 118.700 0.011 0.000 2.409 223 N HA -0.055 4.685 4.740 -0.000 0.000 0.179 223 N C -0.049 175.466 175.510 0.009 0.000 1.032 223 N CA 0.635 53.688 53.050 0.005 0.000 0.898 223 N CB -0.329 38.157 38.487 -0.003 0.000 0.971 223 N HN 0.410 nan 8.380 nan 0.000 0.441 224 E N 1.885 122.096 120.200 0.018 0.000 2.392 224 E HA 0.268 4.618 4.350 -0.000 0.000 0.264 224 E C -2.263 174.346 176.600 0.015 0.000 1.024 224 E CA -1.698 54.715 56.400 0.021 0.000 0.903 224 E CB 0.527 30.248 29.700 0.035 0.000 0.963 224 E HN 0.205 nan 8.360 nan 0.000 0.432 225 P HA -0.057 nan 4.420 nan 0.000 0.266 225 P C -1.976 175.328 177.300 0.006 0.000 1.195 225 P CA -0.784 62.321 63.100 0.008 0.000 0.768 225 P CB 0.263 31.968 31.700 0.010 0.000 0.838 226 P HA -0.283 nan 4.420 nan 0.000 0.217 226 P C 1.526 178.822 177.300 -0.007 0.000 1.158 226 P CA 2.367 65.458 63.100 -0.015 0.000 0.887 226 P CB -0.676 31.009 31.700 -0.025 0.000 0.792 227 G N 0.070 108.872 108.800 0.003 0.000 2.469 227 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.220 227 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.220 227 G C 1.797 176.715 174.900 0.030 0.000 1.136 227 G CA 1.326 46.436 45.100 0.017 0.000 0.759 227 G HN 0.449 nan 8.290 nan 0.000 0.562 228 A N 0.513 123.350 122.820 0.029 0.000 1.897 228 A HA 0.118 4.438 4.320 -0.000 0.000 0.215 228 A C 2.429 180.039 177.584 0.044 0.000 1.181 228 A CA 1.338 53.397 52.037 0.037 0.000 0.620 228 A CB -0.296 18.726 19.000 0.036 0.000 0.821 228 A HN 0.335 nan 8.150 nan 0.000 0.443 229 R N -0.451 120.072 120.500 0.038 0.000 2.148 229 R HA -0.002 4.338 4.340 -0.000 0.000 0.227 229 R C 2.083 178.425 176.300 0.069 0.000 1.103 229 R CA 0.968 57.096 56.100 0.045 0.000 0.983 229 R CB -0.300 30.013 30.300 0.022 0.000 0.874 229 R HN 0.486 nan 8.270 nan 0.000 0.451 230 A N 0.364 123.212 122.820 0.047 0.000 2.208 230 A HA 0.019 4.339 4.320 -0.000 0.000 0.209 230 A C 1.582 179.276 177.584 0.183 0.000 1.161 230 A CA 0.676 52.749 52.037 0.061 0.000 0.782 230 A CB 0.212 19.186 19.000 -0.042 0.000 0.816 230 A HN 0.055 nan 8.150 nan 0.000 0.477 231 R N -2.066 118.502 120.500 0.113 0.000 2.513 231 R HA 0.152 4.492 4.340 -0.000 0.000 0.245 231 R C 1.511 177.816 176.300 0.010 0.000 0.908 231 R CA 0.693 56.831 56.100 0.064 0.000 1.023 231 R CB -0.766 29.564 30.300 0.051 0.000 1.338 231 R HN 0.304 nan 8.270 nan 0.000 0.575 232 V N 1.491 121.419 119.914 0.024 0.000 2.626 232 V HA -0.100 4.020 4.120 -0.000 0.000 0.252 232 V C 2.078 178.140 176.094 -0.053 0.000 1.067 232 V CA 2.025 64.323 62.300 -0.004 0.000 1.081 232 V CB -0.198 31.640 31.823 0.026 0.000 0.686 232 V HN 0.282 nan 8.190 nan 0.000 0.468 233 A N -0.266 122.512 122.820 -0.069 0.000 1.898 233 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 233 A C 2.105 179.580 177.584 -0.181 0.000 1.181 233 A CA 1.779 53.723 52.037 -0.154 0.000 0.620 233 A CB -0.495 18.366 19.000 -0.233 0.000 0.819 233 A HN 0.548 nan 8.150 nan 0.000 0.442 234 L N -0.607 120.510 121.223 -0.178 0.000 2.012 234 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 234 L C 2.818 179.604 176.870 -0.139 0.000 1.073 234 L CA 1.881 56.607 54.840 -0.191 0.000 0.748 234 L CB -1.318 40.587 42.059 -0.257 0.000 0.891 234 L HN 0.346 nan 8.230 nan 0.000 0.431 235 T N -0.058 114.431 114.554 -0.108 0.000 2.570 235 T HA -0.221 4.129 4.350 -0.000 0.000 0.266 235 T C 1.799 176.459 174.700 -0.066 0.000 1.071 235 T CA 1.776 63.834 62.100 -0.072 0.000 1.172 235 T CB -0.855 67.985 68.868 -0.047 0.000 0.864 235 T HN 0.590 nan 8.240 nan 0.000 0.421 236 G N 1.031 109.782 108.800 -0.083 0.000 2.432 236 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.219 236 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.219 236 G C 1.525 176.377 174.900 -0.079 0.000 1.135 236 G CA 0.806 45.854 45.100 -0.086 0.000 0.767 236 G HN 0.426 nan 8.290 nan 0.000 0.550 237 L N 0.984 122.147 121.223 -0.101 0.000 2.141 237 L HA 0.065 4.405 4.340 -0.000 0.000 0.209 237 L C 2.730 179.576 176.870 -0.038 0.000 1.094 237 L CA 2.350 57.134 54.840 -0.093 0.000 0.763 237 L CB -0.961 41.016 42.059 -0.138 0.000 0.908 237 L HN 0.137 nan 8.230 nan 0.000 0.437 238 T N 0.038 114.573 114.554 -0.032 0.000 2.708 238 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 238 T C 1.982 176.723 174.700 0.069 0.000 1.037 238 T CA 2.064 64.169 62.100 0.007 0.000 1.146 238 T CB -0.360 68.501 68.868 -0.012 0.000 0.865 238 T HN 0.327 nan 8.240 nan 0.000 0.435 239 I N 1.454 122.065 120.570 0.068 0.000 2.194 239 I HA -0.255 3.915 4.170 -0.000 0.000 0.246 239 I C 2.821 179.134 176.117 0.326 0.000 1.093 239 I CA 1.248 62.643 61.300 0.159 0.000 1.355 239 I CB -0.438 37.630 38.000 0.112 0.000 1.046 239 I HN 0.209 nan 8.210 nan 0.000 0.413 240 A N 0.304 123.231 122.820 0.178 0.000 1.877 240 A HA -0.237 4.082 4.320 -0.000 0.000 0.216 240 A C 2.221 179.936 177.584 0.219 0.000 1.186 240 A CA 1.780 53.920 52.037 0.172 0.000 0.620 240 A CB -0.656 18.359 19.000 0.024 0.000 0.822 240 A HN 0.450 nan 8.150 nan 0.000 0.443 241 E N -1.679 118.603 120.200 0.137 0.000 2.118 241 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 241 E C 1.829 178.501 176.600 0.120 0.000 0.992 241 E CA 1.542 58.001 56.400 0.098 0.000 0.804 241 E CB -0.340 29.392 29.700 0.053 0.000 0.741 241 E HN 0.799 nan 8.360 nan 0.000 0.458 242 Y N 0.305 120.627 120.300 0.037 0.000 2.145 242 Y HA -0.257 4.293 4.550 -0.000 0.000 0.286 242 Y C 1.824 177.678 175.900 -0.077 0.000 1.145 242 Y CA 1.629 59.693 58.100 -0.061 0.000 1.148 242 Y CB -0.263 38.102 38.460 -0.159 0.000 0.981 242 Y HN -0.050 nan 8.280 nan 0.000 0.507 243 F N 0.100 120.175 119.950 0.208 0.000 2.408 243 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 243 F C 2.601 178.436 175.800 0.060 0.000 1.090 243 F CA 1.670 59.758 58.000 0.146 0.000 1.427 243 F CB -0.272 38.825 39.000 0.162 0.000 1.070 243 F HN 0.044 nan 8.300 nan 0.000 0.549 244 R N 0.076 120.677 120.500 0.167 0.000 2.103 244 R HA -0.041 4.299 4.340 -0.000 0.000 0.212 244 R C 1.402 177.695 176.300 -0.013 0.000 1.107 244 R CA 1.285 57.431 56.100 0.077 0.000 1.025 244 R CB -0.088 30.249 30.300 0.063 0.000 0.929 244 R HN 0.080 nan 8.270 nan 0.000 0.456 245 D N 0.397 120.755 120.400 -0.070 0.000 2.201 245 D HA -0.053 4.587 4.640 -0.000 0.000 0.209 245 D C 1.463 177.642 176.300 -0.202 0.000 0.961 245 D CA 0.813 54.745 54.000 -0.113 0.000 0.861 245 D CB 0.162 40.903 40.800 -0.098 0.000 0.997 245 D HN 0.231 nan 8.370 nan 0.000 0.486 246 E N 0.465 120.431 120.200 -0.392 0.000 2.400 246 E HA 0.046 4.396 4.350 -0.000 0.000 0.195 246 E C 0.893 177.254 176.600 -0.398 0.000 1.012 246 E CA 0.376 56.446 56.400 -0.551 0.000 0.875 246 E CB 0.529 29.491 29.700 -1.230 0.000 0.859 246 E HN 0.415 nan 8.360 nan 0.000 0.498 247 E N -0.253 119.783 120.200 -0.274 0.000 2.641 247 E HA 0.171 4.521 4.350 -0.000 0.000 0.224 247 E C 0.148 176.749 176.600 0.000 0.000 0.951 247 E CA 0.019 56.364 56.400 -0.091 0.000 1.102 247 E CB 1.178 30.869 29.700 -0.015 0.000 1.091 247 E HN 0.139 nan 8.360 nan 0.000 0.507 248 G N 2.912 111.701 108.800 -0.020 0.000 2.247 248 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.265 248 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.265 248 G C -0.182 174.751 174.900 0.054 0.000 0.861 248 G CA 0.891 45.997 45.100 0.010 0.000 1.289 248 G HN 0.175 nan 8.290 nan 0.000 0.403 249 Q N -0.171 119.690 119.800 0.102 0.000 2.587 249 Q HA 0.394 4.734 4.340 -0.000 0.000 0.293 249 Q C -1.017 175.051 176.000 0.114 0.000 1.083 249 Q CA -1.112 54.767 55.803 0.128 0.000 0.792 249 Q CB 1.598 30.480 28.738 0.239 0.000 1.484 249 Q HN 0.321 nan 8.270 nan 0.000 0.446 250 D N 1.906 122.367 120.400 0.101 0.000 2.441 250 D HA 0.241 4.881 4.640 -0.000 0.000 0.221 250 D C -0.640 175.796 176.300 0.227 0.000 1.156 250 D CA 0.067 54.146 54.000 0.131 0.000 0.896 250 D CB 0.860 41.709 40.800 0.083 0.000 1.028 250 D HN 0.140 nan 8.370 nan 0.000 0.509 251 V N 1.417 121.413 119.914 0.137 0.000 2.713 251 V HA 0.487 4.607 4.120 -0.000 0.000 0.307 251 V C 0.418 176.465 176.094 -0.078 0.000 1.052 251 V CA -0.986 61.355 62.300 0.070 0.000 0.967 251 V CB 1.776 33.631 31.823 0.053 0.000 1.019 251 V HN 0.269 nan 8.190 nan 0.000 0.459 252 L N 3.828 124.945 121.223 -0.175 0.000 2.313 252 L HA 0.532 4.872 4.340 -0.000 0.000 0.283 252 L C -0.850 175.774 176.870 -0.411 0.000 1.013 252 L CA -0.510 54.088 54.840 -0.403 0.000 0.816 252 L CB 1.724 43.486 42.059 -0.496 0.000 1.236 252 L HN 0.478 nan 8.230 nan 0.000 0.419 253 L N 4.578 125.491 121.223 -0.517 0.000 2.356 253 L HA 0.495 4.835 4.340 -0.000 0.000 0.264 253 L C -1.091 175.490 176.870 -0.480 0.000 1.029 253 L CA -0.034 54.578 54.840 -0.381 0.000 0.897 253 L CB 0.285 42.191 42.059 -0.255 0.000 1.256 253 L HN 0.186 nan 8.230 nan 0.000 0.444 254 F N 5.734 125.569 119.950 -0.191 0.000 2.421 254 F HA 0.492 5.019 4.527 -0.000 0.000 0.358 254 F C 0.347 175.784 175.800 -0.605 0.000 1.115 254 F CA -0.236 57.596 58.000 -0.280 0.000 1.160 254 F CB 0.492 39.452 39.000 -0.067 0.000 1.123 254 F HN 0.232 nan 8.300 nan 0.000 0.508 255 I N 2.578 122.949 120.570 -0.332 0.000 2.509 255 I HA 0.424 4.594 4.170 -0.000 0.000 0.293 255 I C -1.129 174.815 176.117 -0.290 0.000 1.020 255 I CA -0.723 60.331 61.300 -0.409 0.000 1.088 255 I CB 2.125 39.956 38.000 -0.280 0.000 1.267 255 I HN 0.363 nan 8.210 nan 0.000 0.430 256 D N 5.203 125.437 120.400 -0.276 0.000 2.375 256 D HA 0.234 4.874 4.640 -0.000 0.000 0.241 256 D C -1.506 174.827 176.300 0.056 0.000 1.361 256 D CA -0.307 53.675 54.000 -0.031 0.000 0.995 256 D CB 1.067 41.941 40.800 0.123 0.000 1.312 256 D HN 0.489 nan 8.370 nan 0.000 0.576 257 N N 4.039 122.786 118.700 0.079 0.000 2.258 257 N HA 0.229 4.969 4.740 -0.000 0.000 0.299 257 N C 0.154 175.715 175.510 0.084 0.000 1.047 257 N CA -0.516 52.589 53.050 0.092 0.000 0.814 257 N CB 1.736 40.328 38.487 0.176 0.000 1.413 257 N HN 0.368 nan 8.380 nan 0.000 0.478 258 I N 3.661 124.255 120.570 0.040 0.000 3.444 258 I HA 0.014 4.184 4.170 -0.000 0.000 0.287 258 I C 1.363 177.571 176.117 0.150 0.000 1.302 258 I CA 0.293 61.608 61.300 0.024 0.000 1.368 258 I CB -0.610 37.334 38.000 -0.094 0.000 1.048 258 I HN 0.563 nan 8.210 nan 0.000 0.487 259 F N 0.997 120.991 119.950 0.074 0.000 2.234 259 F HA -0.058 4.469 4.527 -0.000 0.000 0.296 259 F C 2.171 178.052 175.800 0.134 0.000 1.089 259 F CA 1.107 59.182 58.000 0.126 0.000 1.343 259 F CB -0.249 38.863 39.000 0.188 0.000 1.040 259 F HN -0.075 nan 8.300 nan 0.000 0.498 260 R N 0.153 120.638 120.500 -0.026 0.000 2.285 260 R HA -0.154 4.186 4.340 -0.000 0.000 0.213 260 R C 2.011 178.249 176.300 -0.103 0.000 1.068 260 R CA 0.960 56.973 56.100 -0.146 0.000 1.004 260 R CB -1.709 28.605 30.300 0.023 0.000 0.873 260 R HN 0.507 nan 8.270 nan 0.000 0.467 261 F N 1.222 121.073 119.950 -0.166 0.000 2.259 261 F HA -0.065 4.462 4.527 -0.000 0.000 0.298 261 F C 1.640 177.351 175.800 -0.148 0.000 1.088 261 F CA 1.182 59.104 58.000 -0.130 0.000 1.358 261 F CB 0.044 38.980 39.000 -0.106 0.000 1.040 261 F HN -0.173 nan 8.300 nan 0.000 0.505 262 T N -0.220 114.104 114.554 -0.384 0.000 3.009 262 T HA -0.104 4.246 4.350 -0.000 0.000 0.258 262 T C 1.834 176.334 174.700 -0.334 0.000 1.063 262 T CA 1.020 62.857 62.100 -0.439 0.000 1.139 262 T CB -0.150 68.565 68.868 -0.256 0.000 0.890 262 T HN 0.391 nan 8.240 nan 0.000 0.471 263 Q N 0.685 120.192 119.800 -0.489 0.000 2.172 263 Q HA 0.015 4.355 4.340 -0.000 0.000 0.200 263 Q C 2.414 178.290 176.000 -0.206 0.000 0.964 263 Q CA 1.121 56.702 55.803 -0.370 0.000 0.855 263 Q CB -0.184 28.173 28.738 -0.634 0.000 0.918 263 Q HN 0.515 nan 8.270 nan 0.000 0.444 264 A N 0.361 123.051 122.820 -0.216 0.000 1.972 264 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 264 A C 2.158 179.651 177.584 -0.152 0.000 1.169 264 A CA 1.451 53.401 52.037 -0.145 0.000 0.635 264 A CB -1.077 17.853 19.000 -0.118 0.000 0.810 264 A HN 0.578 nan 8.150 nan 0.000 0.446 265 G N 0.382 109.045 108.800 -0.228 0.000 2.480 265 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 265 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 265 G C 2.014 176.860 174.900 -0.089 0.000 1.200 265 G CA 1.970 46.950 45.100 -0.200 0.000 0.782 265 G HN 0.864 nan 8.290 nan 0.000 0.554 266 S N 0.762 116.439 115.700 -0.037 0.000 2.383 266 S HA -0.129 4.341 4.470 -0.000 0.000 0.229 266 S C 1.920 176.494 174.600 -0.044 0.000 1.030 266 S CA 1.682 59.876 58.200 -0.011 0.000 1.002 266 S CB -0.492 62.694 63.200 -0.023 0.000 0.829 266 S HN 0.570 nan 8.310 nan 0.000 0.467 267 E N 0.690 120.856 120.200 -0.055 0.000 2.333 267 E HA -0.114 4.236 4.350 -0.000 0.000 0.200 267 E C 1.966 178.545 176.600 -0.034 0.000 1.010 267 E CA 1.506 57.879 56.400 -0.045 0.000 0.841 267 E CB -0.276 29.397 29.700 -0.046 0.000 0.757 267 E HN 0.791 nan 8.360 nan 0.000 0.508 268 V N -4.425 115.467 119.914 -0.035 0.000 3.473 268 V HA 0.120 4.240 4.120 -0.000 0.000 0.253 268 V C 2.021 178.105 176.094 -0.018 0.000 1.340 268 V CA 0.581 62.866 62.300 -0.024 0.000 1.103 268 V CB 0.529 32.337 31.823 -0.024 0.000 0.881 268 V HN 0.051 nan 8.190 nan 0.000 0.451 269 S N 1.567 117.255 115.700 -0.020 0.000 2.381 269 S HA -0.287 4.183 4.470 -0.000 0.000 0.230 269 S C 2.187 176.784 174.600 -0.004 0.000 1.052 269 S CA 2.787 60.981 58.200 -0.009 0.000 1.068 269 S CB -0.642 62.558 63.200 0.000 0.000 0.918 269 S HN 1.183 nan 8.310 nan 0.000 0.448 270 A N 1.413 124.229 122.820 -0.008 0.000 1.859 270 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 270 A C 2.256 179.838 177.584 -0.003 0.000 1.198 270 A CA 1.910 53.943 52.037 -0.006 0.000 0.629 270 A CB -1.046 17.947 19.000 -0.012 0.000 0.830 270 A HN 0.601 nan 8.150 nan 0.000 0.446 271 L N -0.854 120.367 121.223 -0.004 0.000 2.083 271 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 271 L C 2.457 179.330 176.870 0.004 0.000 1.083 271 L CA 0.791 55.631 54.840 0.000 0.000 0.752 271 L CB -0.553 41.506 42.059 -0.001 0.000 0.899 271 L HN 0.342 nan 8.230 nan 0.000 0.433 272 L N -0.048 121.177 121.223 0.003 0.000 2.265 272 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 272 L C 1.472 178.347 176.870 0.009 0.000 1.117 272 L CA 1.039 55.883 54.840 0.006 0.000 0.782 272 L CB -0.510 41.550 42.059 0.003 0.000 0.914 272 L HN 0.586 nan 8.230 nan 0.000 0.441 273 G N -0.371 108.434 108.800 0.007 0.000 2.138 273 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.193 273 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.193 273 G C 0.003 174.908 174.900 0.008 0.000 0.998 273 G CA -0.471 44.634 45.100 0.008 0.000 0.668 273 G HN 0.233 nan 8.290 nan 0.000 0.516 274 R N -0.227 120.277 120.500 0.007 0.000 2.459 274 R HA 0.664 5.004 4.340 -0.000 0.000 0.281 274 R C 1.007 177.313 176.300 0.010 0.000 1.050 274 R CA -0.600 55.505 56.100 0.010 0.000 1.055 274 R CB 0.768 31.074 30.300 0.011 0.000 1.045 274 R HN 0.301 nan 8.270 nan 0.000 0.495 275 I N 5.122 125.699 120.570 0.012 0.000 2.618 275 I HA 0.045 4.215 4.170 -0.000 0.000 0.284 275 I C -1.592 174.536 176.117 0.019 0.000 1.146 275 I CA -1.356 59.952 61.300 0.013 0.000 1.425 275 I CB 0.529 38.538 38.000 0.014 0.000 1.383 275 I HN 0.347 nan 8.210 nan 0.000 0.562 276 P HA 0.043 nan 4.420 nan 0.000 0.271 276 P C -0.248 177.075 177.300 0.038 0.000 1.216 276 P CA -0.109 63.005 63.100 0.024 0.000 0.771 276 P CB 1.153 32.858 31.700 0.009 0.000 0.864 277 S N 2.220 117.957 115.700 0.062 0.000 2.596 277 S HA 0.458 4.928 4.470 -0.000 0.000 0.262 277 S C 0.389 175.039 174.600 0.084 0.000 1.218 277 S CA -0.237 58.008 58.200 0.075 0.000 0.998 277 S CB -0.087 63.170 63.200 0.095 0.000 1.060 277 S HN 0.609 nan 8.310 nan 0.000 0.552 278 A N 0.232 123.110 122.820 0.097 0.000 2.561 278 A HA 0.348 4.668 4.320 -0.000 0.000 0.234 278 A C 1.077 178.746 177.584 0.141 0.000 1.055 278 A CA 0.350 52.448 52.037 0.101 0.000 0.756 278 A CB -0.770 18.289 19.000 0.097 0.000 0.986 278 A HN 1.681 nan 8.150 nan 0.000 0.505 279 V N 0.919 120.883 119.914 0.084 0.000 3.525 279 V HA -0.311 3.809 4.120 -0.000 0.000 0.200 279 V C 1.706 177.740 176.094 -0.101 0.000 0.451 279 V CA 1.663 63.984 62.300 0.035 0.000 1.037 279 V CB -2.559 29.337 31.823 0.122 0.000 1.164 279 V HN 2.924 nan 8.190 nan 0.000 1.195 280 G N -2.603 106.165 108.800 -0.054 0.000 2.160 280 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.251 280 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.251 280 G C -0.226 174.588 174.900 -0.144 0.000 1.008 280 G CA 0.500 45.540 45.100 -0.100 0.000 0.724 280 G HN 0.880 nan 8.290 nan 0.000 0.514 281 Y N 0.885 121.196 120.300 0.019 0.000 2.326 281 Y HA 0.449 4.999 4.550 -0.000 0.000 0.324 281 Y C 1.339 177.235 175.900 -0.006 0.000 1.291 281 Y CA -0.438 57.665 58.100 0.005 0.000 1.348 281 Y CB 0.523 38.994 38.460 0.019 0.000 1.294 281 Y HN 0.425 nan 8.280 nan 0.000 0.525 282 Q N 2.033 121.945 119.800 0.188 0.000 2.333 282 Q HA -0.016 4.324 4.340 -0.000 0.000 0.299 282 Q C -2.388 173.658 176.000 0.077 0.000 1.067 282 Q CA -1.112 54.742 55.803 0.085 0.000 0.943 282 Q CB 0.349 29.106 28.738 0.031 0.000 1.233 282 Q HN 0.399 nan 8.270 nan 0.000 0.401 283 P HA -0.074 nan 4.420 nan 0.000 0.223 283 P C 1.121 178.438 177.300 0.028 0.000 1.151 283 P CA 1.612 64.736 63.100 0.040 0.000 0.787 283 P CB 0.020 31.738 31.700 0.030 0.000 0.788 284 T N -2.922 111.643 114.554 0.018 0.000 3.085 284 T HA -0.033 4.317 4.350 -0.000 0.000 0.263 284 T C 1.674 176.380 174.700 0.010 0.000 1.127 284 T CA 0.158 62.265 62.100 0.013 0.000 1.103 284 T CB -1.243 67.628 68.868 0.004 0.000 0.921 284 T HN 0.009 nan 8.240 nan 0.000 0.510 285 L N 1.634 122.854 121.223 -0.005 0.000 2.040 285 L HA -0.298 4.042 4.340 -0.000 0.000 0.228 285 L C 2.724 179.600 176.870 0.011 0.000 1.092 285 L CA 2.485 57.304 54.840 -0.035 0.000 0.805 285 L CB -1.047 40.962 42.059 -0.084 0.000 0.905 285 L HN 0.344 nan 8.230 nan 0.000 0.443 286 A N -0.539 122.301 122.820 0.033 0.000 1.849 286 A HA -0.309 4.011 4.320 -0.000 0.000 0.217 286 A C 2.429 180.078 177.584 0.107 0.000 1.202 286 A CA 3.374 55.457 52.037 0.077 0.000 0.629 286 A CB -1.661 17.376 19.000 0.062 0.000 0.834 286 A HN 0.730 nan 8.150 nan 0.000 0.447 287 T N -2.486 112.117 114.554 0.081 0.000 2.833 287 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 287 T C 1.381 176.143 174.700 0.103 0.000 1.054 287 T CA 1.722 63.874 62.100 0.086 0.000 1.135 287 T CB -0.628 68.275 68.868 0.059 0.000 0.869 287 T HN 0.360 nan 8.240 nan 0.000 0.466 288 D N 0.870 121.329 120.400 0.099 0.000 2.116 288 D HA -0.097 4.543 4.640 -0.000 0.000 0.193 288 D C 1.957 178.426 176.300 0.283 0.000 0.998 288 D CA 1.330 55.420 54.000 0.151 0.000 0.836 288 D CB -0.436 40.390 40.800 0.044 0.000 0.951 288 D HN 0.428 nan 8.370 nan 0.000 0.449 289 M N 0.109 119.845 119.600 0.227 0.000 2.099 289 M HA -0.066 4.414 4.480 -0.000 0.000 0.262 289 M C 2.100 178.372 176.300 -0.048 0.000 1.067 289 M CA 2.017 57.390 55.300 0.122 0.000 1.124 289 M CB -0.329 32.280 32.600 0.015 0.000 1.353 289 M HN 0.061 nan 8.290 nan 0.000 0.410 290 G N 0.585 109.444 108.800 0.098 0.000 2.491 290 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 290 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 290 G C 1.320 176.262 174.900 0.071 0.000 1.180 290 G CA 1.173 46.371 45.100 0.164 0.000 0.774 290 G HN 0.478 nan 8.290 nan 0.000 0.562 291 L N -0.241 121.027 121.223 0.076 0.000 2.447 291 L HA -0.012 4.328 4.340 -0.000 0.000 0.225 291 L C 2.475 179.353 176.870 0.013 0.000 1.148 291 L CA 0.438 55.316 54.840 0.064 0.000 0.808 291 L CB -0.160 41.960 42.059 0.102 0.000 0.928 291 L HN 0.317 nan 8.230 nan 0.000 0.448 292 L N -2.184 119.002 121.223 -0.063 0.000 2.433 292 L HA 0.050 4.390 4.340 -0.000 0.000 0.200 292 L C 2.365 179.105 176.870 -0.218 0.000 1.059 292 L CA 1.033 55.743 54.840 -0.218 0.000 0.835 292 L CB -0.311 41.423 42.059 -0.541 0.000 1.076 292 L HN 0.004 nan 8.230 nan 0.000 0.481 293 Q N 0.246 119.915 119.800 -0.219 0.000 2.123 293 Q HA -0.104 4.236 4.340 -0.000 0.000 0.199 293 Q C 1.856 177.827 176.000 -0.049 0.000 0.966 293 Q CA 1.142 56.832 55.803 -0.188 0.000 0.845 293 Q CB -0.174 28.367 28.738 -0.327 0.000 0.907 293 Q HN 0.548 nan 8.270 nan 0.000 0.439 294 E N 0.639 120.846 120.200 0.012 0.000 2.409 294 E HA -0.112 4.238 4.350 -0.000 0.000 0.198 294 E C 1.819 178.423 176.600 0.008 0.000 1.024 294 E CA 0.454 56.879 56.400 0.042 0.000 0.861 294 E CB -0.022 29.718 29.700 0.066 0.000 0.788 294 E HN 0.318 nan 8.360 nan 0.000 0.521 295 R N 0.110 120.595 120.500 -0.025 0.000 2.093 295 R HA 0.117 4.457 4.340 -0.000 0.000 0.224 295 R C 1.085 177.359 176.300 -0.044 0.000 1.101 295 R CA 0.369 56.449 56.100 -0.033 0.000 0.979 295 R CB 0.015 30.285 30.300 -0.051 0.000 0.877 295 R HN 0.086 nan 8.270 nan 0.000 0.441 296 I N 1.938 122.467 120.570 -0.067 0.000 2.352 296 I HA 0.014 4.184 4.170 -0.000 0.000 0.303 296 I C 0.099 176.188 176.117 -0.047 0.000 1.194 296 I CA 0.366 61.621 61.300 -0.075 0.000 1.518 296 I CB 0.136 38.066 38.000 -0.117 0.000 1.489 296 I HN -0.014 nan 8.210 nan 0.000 0.702 297 T N 2.729 117.264 114.554 -0.032 0.000 2.816 297 T HA 0.366 4.716 4.350 -0.000 0.000 0.299 297 T C -0.462 174.226 174.700 -0.019 0.000 1.230 297 T CA -0.323 61.767 62.100 -0.018 0.000 1.007 297 T CB 2.031 70.899 68.868 0.000 0.000 1.289 297 T HN 0.239 nan 8.240 nan 0.000 0.508 298 T N 2.744 117.288 114.554 -0.017 0.000 2.743 298 T HA 0.559 4.909 4.350 -0.000 0.000 0.292 298 T C 0.396 175.082 174.700 -0.023 0.000 0.972 298 T CA -0.500 61.589 62.100 -0.017 0.000 0.967 298 T CB 0.657 69.516 68.868 -0.015 0.000 0.926 298 T HN 0.805 nan 8.240 nan 0.000 0.459 299 T N 0.972 115.512 114.554 -0.023 0.000 2.880 299 T HA 0.416 4.766 4.350 -0.000 0.000 0.279 299 T C 1.307 175.986 174.700 -0.036 0.000 0.990 299 T CA -0.949 61.130 62.100 -0.034 0.000 0.938 299 T CB 1.033 69.883 68.868 -0.030 0.000 1.206 299 T HN 0.372 nan 8.240 nan 0.000 0.573 300 K N -0.097 120.277 120.400 -0.044 0.000 2.288 300 K HA 0.025 4.345 4.320 -0.000 0.000 0.201 300 K C 2.024 178.605 176.600 -0.031 0.000 1.048 300 K CA 0.655 56.917 56.287 -0.041 0.000 0.956 300 K CB -0.072 32.399 32.500 -0.048 0.000 0.746 300 K HN 0.510 nan 8.250 nan 0.000 0.461 301 K N 0.453 120.835 120.400 -0.031 0.000 2.305 301 K HA -0.013 4.307 4.320 -0.000 0.000 0.199 301 K C 0.544 177.132 176.600 -0.018 0.000 1.047 301 K CA 0.542 56.812 56.287 -0.029 0.000 0.976 301 K CB 0.454 32.931 32.500 -0.038 0.000 0.765 301 K HN 0.227 nan 8.250 nan 0.000 0.474 302 G N -1.165 107.629 108.800 -0.011 0.000 2.356 302 G HA2 0.194 4.154 3.960 -0.000 0.000 0.294 302 G HA3 0.194 4.154 3.960 -0.000 0.000 0.294 302 G C -1.740 173.165 174.900 0.010 0.000 1.423 302 G CA -0.681 44.423 45.100 0.007 0.000 0.806 302 G HN -0.089 nan 8.290 nan 0.000 0.527 303 S N -1.215 114.500 115.700 0.025 0.000 2.502 303 S HA 0.725 5.195 4.470 -0.000 0.000 0.304 303 S C -0.726 173.887 174.600 0.021 0.000 1.097 303 S CA -0.505 57.706 58.200 0.018 0.000 1.045 303 S CB 1.512 64.725 63.200 0.022 0.000 1.019 303 S HN 0.980 nan 8.310 nan 0.000 0.481 304 V N 4.458 124.367 119.914 -0.008 0.000 2.495 304 V HA 0.574 4.694 4.120 -0.000 0.000 0.298 304 V C -0.274 175.773 176.094 -0.079 0.000 1.031 304 V CA -0.574 61.703 62.300 -0.039 0.000 0.871 304 V CB 2.040 33.836 31.823 -0.046 0.000 0.988 304 V HN 0.954 nan 8.190 nan 0.000 0.432 305 T N 2.987 117.461 114.554 -0.132 0.000 2.807 305 T HA 0.639 4.989 4.350 -0.000 0.000 0.279 305 T C -0.266 174.255 174.700 -0.298 0.000 0.993 305 T CA -0.636 61.354 62.100 -0.184 0.000 0.970 305 T CB 1.512 70.275 68.868 -0.175 0.000 0.950 305 T HN 0.809 nan 8.240 nan 0.000 0.441 306 S N 1.087 116.616 115.700 -0.284 0.000 2.557 306 S HA 0.688 5.158 4.470 -0.000 0.000 0.291 306 S C -0.825 173.582 174.600 -0.322 0.000 1.116 306 S CA -0.828 57.167 58.200 -0.340 0.000 0.992 306 S CB 1.338 64.382 63.200 -0.259 0.000 1.028 306 S HN 0.461 nan 8.310 nan 0.000 0.484 307 V N 3.220 122.935 119.914 -0.333 0.000 2.334 307 V HA 0.445 4.565 4.120 -0.000 0.000 0.281 307 V C -0.405 175.613 176.094 -0.126 0.000 1.016 307 V CA -0.443 61.750 62.300 -0.179 0.000 0.832 307 V CB 0.808 32.657 31.823 0.044 0.000 0.999 307 V HN 0.943 nan 8.190 nan 0.000 0.439 308 Q N 3.013 122.707 119.800 -0.176 0.000 2.307 308 Q HA 0.733 5.073 4.340 -0.000 0.000 0.262 308 Q C -0.096 175.792 176.000 -0.185 0.000 0.961 308 Q CA -0.444 55.250 55.803 -0.182 0.000 0.882 308 Q CB 2.309 30.913 28.738 -0.223 0.000 1.264 308 Q HN 0.893 nan 8.270 nan 0.000 0.446 309 A N 2.556 125.310 122.820 -0.109 0.000 2.362 309 A HA 0.517 4.837 4.320 -0.000 0.000 0.276 309 A C -0.482 177.042 177.584 -0.102 0.000 1.153 309 A CA -0.419 51.571 52.037 -0.078 0.000 0.813 309 A CB 0.506 19.529 19.000 0.037 0.000 1.081 309 A HN 0.518 nan 8.150 nan 0.000 0.507 310 V N 3.951 123.749 119.914 -0.193 0.000 2.376 310 V HA 0.185 4.305 4.120 -0.000 0.000 0.287 310 V C -0.418 175.678 176.094 0.002 0.000 1.015 310 V CA -0.550 61.671 62.300 -0.131 0.000 0.834 310 V CB 0.689 32.233 31.823 -0.465 0.000 1.001 310 V HN 0.833 nan 8.190 nan 0.000 0.428 311 Y N 5.212 125.482 120.300 -0.051 0.000 2.480 311 Y HA 0.437 4.987 4.550 -0.000 0.000 0.338 311 Y C -0.026 175.652 175.900 -0.369 0.000 1.220 311 Y CA 0.153 58.130 58.100 -0.204 0.000 1.430 311 Y CB 1.133 39.441 38.460 -0.253 0.000 1.311 311 Y HN 0.397 nan 8.280 nan 0.000 0.575 312 V N 7.971 127.284 119.914 -1.002 0.000 2.349 312 V HA 0.292 4.412 4.120 -0.000 0.000 0.284 312 V C -2.371 173.143 176.094 -0.967 0.000 1.014 312 V CA -2.164 59.708 62.300 -0.713 0.000 0.826 312 V CB 1.162 32.791 31.823 -0.322 0.000 1.009 312 V HN 0.713 nan 8.190 nan 0.000 0.431 313 P HA 0.130 nan 4.420 nan 0.000 0.262 313 P C 0.556 177.797 177.300 -0.099 0.000 1.199 313 P CA 0.657 63.681 63.100 -0.125 0.000 0.763 313 P CB 0.543 32.303 31.700 0.100 0.000 0.790 314 A N 4.394 127.186 122.820 -0.047 0.000 2.640 314 A HA -0.240 4.080 4.320 -0.000 0.000 0.300 314 A C 0.871 178.415 177.584 -0.068 0.000 1.499 314 A CA 0.998 53.020 52.037 -0.026 0.000 0.759 314 A CB -2.459 16.552 19.000 0.018 0.000 1.048 314 A HN 0.643 nan 8.150 nan 0.000 0.450 315 D N -1.420 118.898 120.400 -0.137 0.000 2.931 315 D HA -0.190 4.450 4.640 -0.000 0.000 0.228 315 D C -0.165 176.082 176.300 -0.087 0.000 1.180 315 D CA 2.212 56.139 54.000 -0.121 0.000 0.784 315 D CB -0.808 39.947 40.800 -0.074 0.000 1.093 315 D HN 0.938 nan 8.370 nan 0.000 0.421 316 D N 0.011 120.362 120.400 -0.081 0.000 2.485 316 D HA 0.234 4.874 4.640 -0.000 0.000 0.229 316 D C 1.488 177.774 176.300 -0.024 0.000 1.101 316 D CA -0.454 53.524 54.000 -0.037 0.000 0.906 316 D CB 0.180 40.978 40.800 -0.004 0.000 1.019 316 D HN 0.068 nan 8.370 nan 0.000 0.516 317 L N 2.102 123.310 121.223 -0.025 0.000 2.187 317 L HA -0.144 4.196 4.340 -0.000 0.000 0.213 317 L C 2.335 179.234 176.870 0.050 0.000 1.100 317 L CA 1.539 56.383 54.840 0.007 0.000 0.765 317 L CB -0.578 41.474 42.059 -0.012 0.000 0.904 317 L HN 0.487 nan 8.230 nan 0.000 0.437 318 T N -4.039 110.531 114.554 0.026 0.000 3.085 318 T HA -0.126 4.224 4.350 -0.000 0.000 0.263 318 T C 0.866 175.611 174.700 0.075 0.000 1.127 318 T CA -0.171 61.953 62.100 0.039 0.000 1.103 318 T CB -0.400 68.477 68.868 0.015 0.000 0.921 318 T HN 0.267 nan 8.240 nan 0.000 0.510 319 D N 2.802 123.256 120.400 0.092 0.000 2.583 319 D HA -0.005 4.635 4.640 -0.000 0.000 0.232 319 D C -1.444 174.943 176.300 0.145 0.000 1.128 319 D CA -1.214 52.880 54.000 0.157 0.000 0.859 319 D CB 1.292 42.204 40.800 0.187 0.000 1.169 319 D HN 0.051 nan 8.370 nan 0.000 0.481 320 P HA -0.223 nan 4.420 nan 0.000 0.218 320 P C 0.870 178.113 177.300 -0.096 0.000 1.150 320 P CA 2.005 65.104 63.100 -0.002 0.000 0.841 320 P CB 0.115 31.782 31.700 -0.055 0.000 0.784 321 A N 0.154 122.901 122.820 -0.121 0.000 1.835 321 A HA -0.125 4.195 4.320 -0.000 0.000 0.215 321 A C -0.022 177.641 177.584 0.131 0.000 1.199 321 A CA 2.297 54.327 52.037 -0.013 0.000 0.615 321 A CB -2.220 16.965 19.000 0.309 0.000 0.838 321 A HN 0.224 nan 8.150 nan 0.000 0.444 322 P HA -0.032 nan 4.420 nan 0.000 0.221 322 P C 1.364 178.716 177.300 0.086 0.000 1.150 322 P CA 1.714 64.908 63.100 0.156 0.000 0.800 322 P CB -0.136 31.647 31.700 0.139 0.000 0.787 323 A N -0.259 122.665 122.820 0.174 0.000 2.121 323 A HA -0.055 4.265 4.320 -0.000 0.000 0.218 323 A C 2.042 179.777 177.584 0.252 0.000 1.154 323 A CA 1.698 53.902 52.037 0.279 0.000 0.679 323 A CB -1.499 17.595 19.000 0.156 0.000 0.795 323 A HN 0.193 nan 8.150 nan 0.000 0.458 324 T N -0.840 113.814 114.554 0.166 0.000 3.051 324 T HA -0.012 4.338 4.350 -0.000 0.000 0.255 324 T C 1.736 176.587 174.700 0.250 0.000 1.085 324 T CA 1.351 63.551 62.100 0.168 0.000 1.109 324 T CB -0.069 68.864 68.868 0.108 0.000 0.921 324 T HN 0.509 nan 8.240 nan 0.000 0.488 325 T N 1.797 116.470 114.554 0.197 0.000 2.995 325 T HA 0.062 4.412 4.350 -0.000 0.000 0.269 325 T C 1.382 176.214 174.700 0.220 0.000 1.091 325 T CA 0.602 62.823 62.100 0.202 0.000 1.128 325 T CB -0.432 68.493 68.868 0.093 0.000 0.891 325 T HN 0.300 nan 8.240 nan 0.000 0.492 326 F N 1.962 122.066 119.950 0.258 0.000 2.216 326 F HA 0.062 4.589 4.527 -0.000 0.000 0.300 326 F C 2.583 178.441 175.800 0.098 0.000 1.085 326 F CA 0.590 58.691 58.000 0.169 0.000 1.326 326 F CB -0.652 38.357 39.000 0.015 0.000 1.027 326 F HN 0.158 nan 8.300 nan 0.000 0.497 327 A N -1.353 121.586 122.820 0.198 0.000 2.119 327 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 327 A C 1.601 179.111 177.584 -0.123 0.000 1.153 327 A CA 1.090 53.122 52.037 -0.009 0.000 0.692 327 A CB -0.880 18.046 19.000 -0.125 0.000 0.799 327 A HN 0.454 nan 8.150 nan 0.000 0.458 328 H N -1.206 117.913 119.070 0.082 0.000 2.539 328 H HA 0.356 4.912 4.556 -0.000 0.000 0.269 328 H C -0.260 175.084 175.328 0.026 0.000 0.980 328 H CA 0.216 56.287 56.048 0.038 0.000 1.152 328 H CB 0.096 29.863 29.762 0.009 0.000 1.407 328 H HN 0.329 nan 8.280 nan 0.000 0.564 329 L N 0.114 121.423 121.223 0.143 0.000 2.323 329 L HA 0.236 4.576 4.340 -0.000 0.000 0.265 329 L C 0.711 177.637 176.870 0.093 0.000 1.012 329 L CA -0.581 54.322 54.840 0.105 0.000 0.820 329 L CB 2.267 44.409 42.059 0.139 0.000 1.334 329 L HN -0.071 nan 8.230 nan 0.000 0.427 330 D N 0.624 121.061 120.400 0.061 0.000 2.431 330 D HA 0.195 4.835 4.640 -0.000 0.000 0.227 330 D C 0.156 176.512 176.300 0.092 0.000 1.030 330 D CA 0.505 54.544 54.000 0.065 0.000 0.897 330 D CB 1.251 42.074 40.800 0.039 0.000 1.058 330 D HN 0.482 nan 8.370 nan 0.000 0.500 331 A N 1.113 123.985 122.820 0.086 0.000 2.398 331 A HA 0.551 4.870 4.320 -0.000 0.000 0.301 331 A C -0.405 177.270 177.584 0.152 0.000 1.041 331 A CA -0.532 51.592 52.037 0.146 0.000 0.711 331 A CB 1.599 20.731 19.000 0.219 0.000 1.240 331 A HN -0.013 nan 8.150 nan 0.000 0.420 332 T N -0.452 114.245 114.554 0.240 0.000 2.824 332 T HA 0.695 5.045 4.350 -0.000 0.000 0.282 332 T C -0.337 174.536 174.700 0.289 0.000 0.993 332 T CA -0.181 62.111 62.100 0.321 0.000 0.967 332 T CB 1.170 70.359 68.868 0.536 0.000 0.960 332 T HN 1.175 nan 8.240 nan 0.000 0.441 333 T N 0.683 115.385 114.554 0.247 0.000 2.821 333 T HA 0.550 4.899 4.350 -0.000 0.000 0.307 333 T C -0.134 174.643 174.700 0.129 0.000 1.034 333 T CA -0.744 61.450 62.100 0.156 0.000 0.953 333 T CB 0.589 69.511 68.868 0.090 0.000 0.968 333 T HN 0.592 nan 8.240 nan 0.000 0.462 334 V N 5.669 125.669 119.914 0.143 0.000 2.408 334 V HA 0.282 4.402 4.120 -0.000 0.000 0.267 334 V C 0.472 176.590 176.094 0.041 0.000 1.047 334 V CA -0.774 61.613 62.300 0.144 0.000 0.937 334 V CB 0.377 32.263 31.823 0.104 0.000 0.999 334 V HN 0.812 nan 8.190 nan 0.000 0.472 335 L N 4.236 125.471 121.223 0.020 0.000 2.331 335 L HA 0.463 4.803 4.340 -0.000 0.000 0.278 335 L C 0.500 177.364 176.870 -0.010 0.000 1.106 335 L CA 0.314 55.142 54.840 -0.020 0.000 0.824 335 L CB 1.258 43.297 42.059 -0.034 0.000 1.142 335 L HN 0.655 nan 8.230 nan 0.000 0.443 336 S N 2.647 118.331 115.700 -0.028 0.000 2.498 336 S HA 0.296 4.766 4.470 -0.000 0.000 0.317 336 S C 0.832 175.404 174.600 -0.047 0.000 1.090 336 S CA -0.753 57.426 58.200 -0.034 0.000 1.089 336 S CB 1.556 64.735 63.200 -0.035 0.000 0.997 336 S HN 0.745 nan 8.310 nan 0.000 0.470 337 R N 3.676 124.152 120.500 -0.040 0.000 2.080 337 R HA -0.081 4.259 4.340 -0.000 0.000 0.236 337 R C 2.163 178.436 176.300 -0.046 0.000 1.137 337 R CA 2.168 58.245 56.100 -0.037 0.000 0.943 337 R CB -1.144 29.139 30.300 -0.028 0.000 0.846 337 R HN 0.846 nan 8.270 nan 0.000 0.431 338 G N 1.421 110.194 108.800 -0.044 0.000 2.547 338 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.221 338 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.221 338 G C 1.479 176.345 174.900 -0.057 0.000 1.140 338 G CA 1.334 46.407 45.100 -0.045 0.000 0.760 338 G HN 0.338 nan 8.290 nan 0.000 0.583 339 I N 1.542 122.070 120.570 -0.070 0.000 2.202 339 I HA -0.196 3.974 4.170 -0.000 0.000 0.242 339 I C 3.198 179.215 176.117 -0.168 0.000 1.091 339 I CA 1.616 62.862 61.300 -0.090 0.000 1.368 339 I CB -0.559 37.394 38.000 -0.079 0.000 1.058 339 I HN 0.384 nan 8.210 nan 0.000 0.410 340 S N 0.636 116.201 115.700 -0.224 0.000 2.419 340 S HA -0.196 4.274 4.470 -0.000 0.000 0.235 340 S C 1.684 176.163 174.600 -0.202 0.000 1.019 340 S CA 1.163 59.123 58.200 -0.399 0.000 0.982 340 S CB -0.531 62.519 63.200 -0.251 0.000 0.789 340 S HN 0.506 nan 8.310 nan 0.000 0.490 341 E N 1.206 121.353 120.200 -0.088 0.000 2.208 341 E HA 0.052 4.402 4.350 -0.000 0.000 0.193 341 E C 1.646 178.231 176.600 -0.024 0.000 0.988 341 E CA 0.836 57.220 56.400 -0.027 0.000 0.828 341 E CB -0.345 29.345 29.700 -0.017 0.000 0.763 341 E HN 0.590 nan 8.360 nan 0.000 0.478 342 L N 0.202 121.396 121.223 -0.049 0.000 2.622 342 L HA 0.069 4.409 4.340 -0.000 0.000 0.233 342 L C 1.293 178.150 176.870 -0.021 0.000 1.156 342 L CA 0.367 55.189 54.840 -0.030 0.000 0.866 342 L CB -0.540 41.506 42.059 -0.022 0.000 0.980 342 L HN 0.198 nan 8.230 nan 0.000 0.448 343 G N 0.951 109.733 108.800 -0.030 0.000 2.221 343 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.265 343 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.265 343 G C 0.193 175.163 174.900 0.116 0.000 1.041 343 G CA -0.219 44.932 45.100 0.086 0.000 0.807 343 G HN 0.239 nan 8.290 nan 0.000 0.502 344 I N 0.465 120.954 120.570 -0.135 0.000 2.304 344 I HA 0.439 4.609 4.170 -0.000 0.000 0.291 344 I C -0.216 175.663 176.117 -0.397 0.000 1.018 344 I CA -0.494 60.770 61.300 -0.061 0.000 1.260 344 I CB 0.524 38.507 38.000 -0.029 0.000 1.390 344 I HN 0.075 nan 8.210 nan 0.000 0.475 345 Y N 7.337 127.645 120.300 0.014 0.000 2.406 345 Y HA 0.404 4.954 4.550 -0.000 0.000 0.340 345 Y C -2.123 173.652 175.900 -0.209 0.000 0.975 345 Y CA -2.475 55.562 58.100 -0.106 0.000 1.056 345 Y CB 2.043 40.416 38.460 -0.145 0.000 1.210 345 Y HN 0.409 nan 8.280 nan 0.000 0.448 346 P HA 0.119 nan 4.420 nan 0.000 0.272 346 P C -0.482 176.842 177.300 0.039 0.000 1.223 346 P CA -0.263 62.869 63.100 0.053 0.000 0.784 346 P CB 1.066 32.944 31.700 0.295 0.000 0.923 347 A N 2.772 125.595 122.820 0.004 0.000 3.135 347 A HA 0.282 4.602 4.320 -0.000 0.000 0.253 347 A C 0.291 177.850 177.584 -0.043 0.000 1.638 347 A CA -0.347 51.619 52.037 -0.118 0.000 1.295 347 A CB -1.169 17.714 19.000 -0.195 0.000 1.106 347 A HN 0.336 nan 8.150 nan 0.000 0.648 348 V N 1.321 121.235 119.914 -0.000 0.000 2.461 348 V HA 0.091 4.211 4.120 -0.000 0.000 0.275 348 V C 0.378 176.475 176.094 0.006 0.000 1.047 348 V CA -0.801 61.500 62.300 0.002 0.000 0.955 348 V CB 1.269 33.122 31.823 0.049 0.000 0.988 348 V HN 0.625 nan 8.190 nan 0.000 0.471 349 D N 7.849 128.250 120.400 0.001 0.000 2.382 349 D HA 0.096 4.736 4.640 -0.000 0.000 0.259 349 D C -1.515 174.793 176.300 0.013 0.000 1.224 349 D CA -1.415 52.587 54.000 0.003 0.000 0.894 349 D CB 1.903 42.701 40.800 -0.002 0.000 1.127 349 D HN 0.312 nan 8.370 nan 0.000 0.487 350 P HA 0.062 nan 4.420 nan 0.000 0.249 350 P C 1.086 178.387 177.300 0.002 0.000 1.229 350 P CA 0.284 63.390 63.100 0.011 0.000 0.788 350 P CB 0.567 32.279 31.700 0.020 0.000 1.072 351 L N -1.243 119.979 121.223 -0.001 0.000 2.624 351 L HA 0.226 4.566 4.340 -0.000 0.000 0.222 351 L C 1.930 178.789 176.870 -0.018 0.000 1.046 351 L CA 0.483 55.316 54.840 -0.011 0.000 0.872 351 L CB -0.275 41.775 42.059 -0.015 0.000 1.190 351 L HN -0.161 nan 8.230 nan 0.000 0.487 352 D N 0.033 120.421 120.400 -0.019 0.000 2.323 352 D HA -0.009 4.631 4.640 -0.000 0.000 0.209 352 D C 0.630 176.931 176.300 0.002 0.000 0.973 352 D CA 0.311 54.289 54.000 -0.035 0.000 0.874 352 D CB 0.368 41.137 40.800 -0.052 0.000 0.930 352 D HN -0.011 nan 8.370 nan 0.000 0.521 353 S N 0.160 115.881 115.700 0.036 0.000 2.549 353 S HA 0.590 5.060 4.470 -0.000 0.000 0.279 353 S C 0.297 174.941 174.600 0.073 0.000 1.321 353 S CA -0.284 57.967 58.200 0.085 0.000 1.054 353 S CB 1.316 64.567 63.200 0.086 0.000 0.899 353 S HN 0.400 nan 8.310 nan 0.000 0.497 354 K N 1.128 121.594 120.400 0.109 0.000 2.508 354 K HA 0.817 5.137 4.320 -0.000 0.000 0.260 354 K C -0.664 176.011 176.600 0.125 0.000 0.949 354 K CA -0.845 55.496 56.287 0.090 0.000 0.834 354 K CB 1.885 34.421 32.500 0.060 0.000 1.365 354 K HN 0.550 nan 8.250 nan 0.000 0.437 355 S N -0.438 115.324 115.700 0.105 0.000 2.632 355 S HA 0.485 4.955 4.470 -0.000 0.000 0.289 355 S C 0.830 175.484 174.600 0.090 0.000 1.115 355 S CA -0.570 57.700 58.200 0.116 0.000 0.889 355 S CB 1.779 65.054 63.200 0.125 0.000 1.116 355 S HN 0.696 nan 8.310 nan 0.000 0.486 356 R N 0.706 121.257 120.500 0.086 0.000 2.236 356 R HA 0.209 4.549 4.340 -0.000 0.000 0.208 356 R C 0.716 177.054 176.300 0.063 0.000 1.036 356 R CA 0.993 57.134 56.100 0.068 0.000 1.001 356 R CB -0.171 30.164 30.300 0.059 0.000 0.896 356 R HN 0.614 nan 8.270 nan 0.000 0.464 357 L N 0.760 122.022 121.223 0.065 0.000 2.607 357 L HA 0.142 4.482 4.340 -0.000 0.000 0.228 357 L C 0.332 177.227 176.870 0.042 0.000 1.123 357 L CA -0.286 54.581 54.840 0.045 0.000 0.890 357 L CB 0.288 42.369 42.059 0.037 0.000 1.103 357 L HN 0.126 nan 8.230 nan 0.000 0.468 358 L N 1.513 122.779 121.223 0.072 0.000 2.511 358 L HA 0.170 4.510 4.340 -0.000 0.000 0.239 358 L C -0.342 176.682 176.870 0.258 0.000 1.400 358 L CA 0.436 55.340 54.840 0.106 0.000 1.226 358 L CB -0.706 41.388 42.059 0.057 0.000 1.475 358 L HN 0.027 nan 8.230 nan 0.000 0.428 359 D N 0.060 120.572 120.400 0.187 0.000 2.481 359 D HA 0.500 5.140 4.640 -0.000 0.000 0.244 359 D C 0.913 177.250 176.300 0.063 0.000 1.057 359 D CA 0.084 54.161 54.000 0.128 0.000 0.848 359 D CB 2.108 42.928 40.800 0.033 0.000 1.388 359 D HN 0.158 nan 8.370 nan 0.000 0.475 360 A N 2.922 125.668 122.820 -0.124 0.000 1.902 360 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 360 A C 1.999 179.553 177.584 -0.050 0.000 1.181 360 A CA 1.972 53.949 52.037 -0.100 0.000 0.623 360 A CB -0.909 17.938 19.000 -0.254 0.000 0.818 360 A HN 0.649 nan 8.150 nan 0.000 0.443 361 A N -0.897 121.886 122.820 -0.062 0.000 2.125 361 A HA 0.138 4.458 4.320 -0.000 0.000 0.219 361 A C 2.005 179.576 177.584 -0.022 0.000 1.156 361 A CA 1.730 53.745 52.037 -0.037 0.000 0.671 361 A CB -0.406 18.571 19.000 -0.037 0.000 0.794 361 A HN 0.394 nan 8.150 nan 0.000 0.459 362 V N -0.959 118.943 119.914 -0.021 0.000 2.690 362 V HA -0.053 4.067 4.120 -0.000 0.000 0.240 362 V C 2.200 178.266 176.094 -0.046 0.000 1.078 362 V CA 1.492 63.778 62.300 -0.023 0.000 1.102 362 V CB 0.238 32.052 31.823 -0.015 0.000 0.800 362 V HN 0.527 nan 8.190 nan 0.000 0.479 363 V N -1.998 117.872 119.914 -0.072 0.000 3.643 363 V HA 0.763 4.883 4.120 -0.000 0.000 0.280 363 V C 0.747 176.809 176.094 -0.053 0.000 1.351 363 V CA 0.279 62.480 62.300 -0.164 0.000 1.073 363 V CB -0.276 31.244 31.823 -0.505 0.000 0.863 363 V HN 0.882 nan 8.190 nan 0.000 0.436 364 G N 0.944 109.753 108.800 0.015 0.000 2.907 364 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.686 364 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.686 364 G C -0.161 174.811 174.900 0.120 0.000 1.115 364 G CA 0.225 45.363 45.100 0.064 0.000 0.760 364 G HN 0.521 nan 8.290 nan 0.000 0.620 365 Q N 0.428 120.280 119.800 0.086 0.000 2.096 365 Q HA -0.168 4.172 4.340 -0.000 0.000 0.208 365 Q C 2.230 178.328 176.000 0.164 0.000 0.993 365 Q CA 2.928 58.792 55.803 0.102 0.000 0.862 365 Q CB -0.173 28.597 28.738 0.053 0.000 0.915 365 Q HN 0.815 nan 8.270 nan 0.000 0.416 366 E N -1.490 118.793 120.200 0.139 0.000 2.204 366 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 366 E C 1.740 178.436 176.600 0.161 0.000 0.989 366 E CA 0.835 57.314 56.400 0.132 0.000 0.824 366 E CB -0.095 29.664 29.700 0.098 0.000 0.756 366 E HN 0.540 nan 8.360 nan 0.000 0.477 367 H N -0.496 118.627 119.070 0.088 0.000 2.372 367 H HA -0.127 4.429 4.556 -0.000 0.000 0.301 367 H C 1.717 177.091 175.328 0.077 0.000 1.065 367 H CA 1.399 57.488 56.048 0.068 0.000 1.364 367 H CB -0.408 29.387 29.762 0.055 0.000 1.406 367 H HN 0.252 nan 8.280 nan 0.000 0.521 368 Y N 1.603 122.053 120.300 0.250 0.000 2.181 368 Y HA -0.187 4.363 4.550 -0.000 0.000 0.288 368 Y C 2.037 178.000 175.900 0.104 0.000 1.146 368 Y CA 1.979 60.173 58.100 0.158 0.000 1.164 368 Y CB -0.088 38.417 38.460 0.077 0.000 0.982 368 Y HN 0.154 nan 8.280 nan 0.000 0.515 369 D N -0.464 120.099 120.400 0.272 0.000 2.097 369 D HA -0.196 4.444 4.640 -0.000 0.000 0.195 369 D C 2.396 178.723 176.300 0.046 0.000 0.989 369 D CA 1.783 55.881 54.000 0.163 0.000 0.827 369 D CB -0.541 40.352 40.800 0.156 0.000 0.966 369 D HN 0.287 nan 8.370 nan 0.000 0.456 370 V N 1.337 121.271 119.914 0.034 0.000 2.332 370 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 370 V C 2.472 178.533 176.094 -0.055 0.000 1.055 370 V CA 1.805 64.105 62.300 0.000 0.000 1.038 370 V CB -0.858 30.950 31.823 -0.024 0.000 0.651 370 V HN 0.195 nan 8.190 nan 0.000 0.450 371 A N -0.028 122.727 122.820 -0.109 0.000 1.859 371 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 371 A C 2.493 179.982 177.584 -0.160 0.000 1.198 371 A CA 2.751 54.696 52.037 -0.154 0.000 0.629 371 A CB -0.955 17.956 19.000 -0.148 0.000 0.830 371 A HN 0.535 nan 8.150 nan 0.000 0.446 372 S N -0.233 115.329 115.700 -0.230 0.000 2.355 372 S HA -0.040 4.430 4.470 -0.000 0.000 0.222 372 S C 2.424 176.988 174.600 -0.060 0.000 1.031 372 S CA 1.907 60.002 58.200 -0.174 0.000 0.993 372 S CB -0.564 62.502 63.200 -0.222 0.000 0.859 372 S HN 0.854 nan 8.310 nan 0.000 0.453 373 K N 1.232 121.617 120.400 -0.025 0.000 2.160 373 K HA -0.042 4.278 4.320 -0.000 0.000 0.206 373 K C 2.136 178.752 176.600 0.027 0.000 1.047 373 K CA 1.651 57.948 56.287 0.016 0.000 0.930 373 K CB -1.442 31.079 32.500 0.037 0.000 0.720 373 K HN 0.308 nan 8.250 nan 0.000 0.450 374 V N 1.269 121.196 119.914 0.023 0.000 2.283 374 V HA -0.274 3.846 4.120 -0.000 0.000 0.243 374 V C 2.730 178.843 176.094 0.031 0.000 1.039 374 V CA 1.930 64.261 62.300 0.052 0.000 1.016 374 V CB -0.442 31.413 31.823 0.053 0.000 0.650 374 V HN 0.678 nan 8.190 nan 0.000 0.449 375 Q N -0.176 119.620 119.800 -0.006 0.000 2.061 375 Q HA -0.272 4.068 4.340 -0.000 0.000 0.204 375 Q C 2.274 178.280 176.000 0.011 0.000 0.984 375 Q CA 2.071 57.871 55.803 -0.006 0.000 0.846 375 Q CB -0.252 28.465 28.738 -0.036 0.000 0.902 375 Q HN 0.695 nan 8.270 nan 0.000 0.421 376 E N -0.118 120.087 120.200 0.008 0.000 2.070 376 E HA -0.191 4.159 4.350 -0.000 0.000 0.197 376 E C 2.092 178.712 176.600 0.034 0.000 1.004 376 E CA 1.671 58.082 56.400 0.018 0.000 0.805 376 E CB -0.132 29.578 29.700 0.018 0.000 0.744 376 E HN 0.340 nan 8.360 nan 0.000 0.451 377 T N 1.757 116.335 114.554 0.040 0.000 2.643 377 T HA -0.143 4.207 4.350 -0.000 0.000 0.264 377 T C 2.053 176.801 174.700 0.081 0.000 1.045 377 T CA 0.961 63.091 62.100 0.050 0.000 1.155 377 T CB -0.362 68.532 68.868 0.042 0.000 0.863 377 T HN 0.065 nan 8.240 nan 0.000 0.420 378 L N 0.987 122.263 121.223 0.087 0.000 2.043 378 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 378 L C 2.876 179.816 176.870 0.117 0.000 1.075 378 L CA 1.409 56.327 54.840 0.129 0.000 0.752 378 L CB -0.532 41.586 42.059 0.098 0.000 0.891 378 L HN 0.251 nan 8.230 nan 0.000 0.432 379 Q N -0.350 119.488 119.800 0.064 0.000 2.119 379 Q HA -0.159 4.181 4.340 -0.000 0.000 0.201 379 Q C 2.017 178.041 176.000 0.039 0.000 0.972 379 Q CA 2.313 58.136 55.803 0.034 0.000 0.847 379 Q CB -0.349 28.399 28.738 0.017 0.000 0.903 379 Q HN 0.379 nan 8.270 nan 0.000 0.433 380 T N -0.028 114.564 114.554 0.063 0.000 2.777 380 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 380 T C 1.210 175.976 174.700 0.109 0.000 1.040 380 T CA 1.293 63.434 62.100 0.067 0.000 1.141 380 T CB -0.592 68.313 68.868 0.062 0.000 0.868 380 T HN 0.416 nan 8.240 nan 0.000 0.444 381 Y N 2.715 123.012 120.300 -0.005 0.000 2.224 381 Y HA -0.124 4.426 4.550 -0.000 0.000 0.289 381 Y C 2.566 178.461 175.900 -0.009 0.000 1.146 381 Y CA 1.525 59.620 58.100 -0.008 0.000 1.182 381 Y CB -0.930 37.526 38.460 -0.007 0.000 0.983 381 Y HN 0.185 nan 8.280 nan 0.000 0.524 382 K N -0.294 120.047 120.400 -0.099 0.000 2.002 382 K HA -0.114 4.206 4.320 -0.000 0.000 0.209 382 K C 2.441 178.971 176.600 -0.118 0.000 1.048 382 K CA 1.702 57.885 56.287 -0.175 0.000 0.930 382 K CB -1.549 30.897 32.500 -0.090 0.000 0.714 382 K HN 0.375 nan 8.250 nan 0.000 0.438 383 S N 0.017 115.687 115.700 -0.050 0.000 2.462 383 S HA -0.006 4.464 4.470 -0.000 0.000 0.243 383 S C 1.467 176.046 174.600 -0.034 0.000 1.003 383 S CA 1.268 59.448 58.200 -0.033 0.000 0.970 383 S CB -0.254 62.941 63.200 -0.009 0.000 0.762 383 S HN 0.453 nan 8.310 nan 0.000 0.510 384 L N 0.251 121.449 121.223 -0.042 0.000 2.858 384 L HA 0.174 4.514 4.340 -0.000 0.000 0.251 384 L C 1.876 178.706 176.870 -0.067 0.000 1.149 384 L CA -0.145 54.681 54.840 -0.024 0.000 0.955 384 L CB -0.022 42.059 42.059 0.037 0.000 1.289 384 L HN 0.075 nan 8.230 nan 0.000 0.542 385 Q N 0.719 120.421 119.800 -0.163 0.000 2.118 385 Q HA -0.258 4.082 4.340 -0.000 0.000 0.211 385 Q C 1.190 177.129 176.000 -0.102 0.000 0.998 385 Q CA 1.911 57.589 55.803 -0.208 0.000 0.872 385 Q CB -0.215 28.374 28.738 -0.248 0.000 0.925 385 Q HN 0.524 nan 8.270 nan 0.000 0.414 386 D N 0.308 120.664 120.400 -0.074 0.000 2.091 386 D HA -0.042 4.598 4.640 -0.000 0.000 0.199 386 D C 2.185 178.468 176.300 -0.028 0.000 0.980 386 D CA 0.534 54.506 54.000 -0.047 0.000 0.831 386 D CB -0.306 40.469 40.800 -0.041 0.000 0.987 386 D HN 0.212 nan 8.370 nan 0.000 0.460 387 I N 1.361 121.918 120.570 -0.020 0.000 2.185 387 I HA -0.275 3.895 4.170 -0.000 0.000 0.246 387 I C 2.109 178.226 176.117 -0.000 0.000 1.088 387 I CA 0.836 62.131 61.300 -0.007 0.000 1.347 387 I CB -0.144 37.856 38.000 -0.000 0.000 1.041 387 I HN 0.039 nan 8.210 nan 0.000 0.415 388 I N 0.580 121.152 120.570 0.003 0.000 2.500 388 I HA -0.120 4.050 4.170 -0.000 0.000 0.252 388 I C 2.774 178.896 176.117 0.008 0.000 1.142 388 I CA 1.243 62.555 61.300 0.019 0.000 1.451 388 I CB -1.729 36.303 38.000 0.053 0.000 1.093 388 I HN 0.136 nan 8.210 nan 0.000 0.430 389 A N 1.016 123.830 122.820 -0.010 0.000 1.969 389 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 389 A C 2.166 179.746 177.584 -0.008 0.000 1.169 389 A CA 1.238 53.267 52.037 -0.013 0.000 0.635 389 A CB -0.238 18.745 19.000 -0.028 0.000 0.810 389 A HN 0.264 nan 8.150 nan 0.000 0.445 390 I N -1.560 119.006 120.570 -0.007 0.000 2.729 390 I HA 0.116 4.286 4.170 -0.000 0.000 0.256 390 I C 1.968 178.084 176.117 -0.001 0.000 1.115 390 I CA 0.855 62.152 61.300 -0.006 0.000 1.446 390 I CB -1.081 36.915 38.000 -0.008 0.000 1.176 390 I HN 0.198 nan 8.210 nan 0.000 0.446 391 L N -0.013 121.211 121.223 0.001 0.000 2.590 391 L HA 0.384 4.724 4.340 -0.000 0.000 0.227 391 L C 0.903 177.777 176.870 0.007 0.000 1.099 391 L CA 0.271 55.113 54.840 0.003 0.000 0.872 391 L CB 0.111 42.172 42.059 0.003 0.000 1.088 391 L HN 0.424 nan 8.230 nan 0.000 0.479 392 G N -1.323 107.483 108.800 0.010 0.000 2.795 392 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.664 392 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.664 392 G C 0.400 175.312 174.900 0.020 0.000 1.381 392 G CA -0.061 45.048 45.100 0.015 0.000 0.853 392 G HN 0.010 nan 8.290 nan 0.000 0.545 393 M N -0.575 119.039 119.600 0.024 0.000 2.557 393 M HA 0.147 4.627 4.480 -0.000 0.000 0.259 393 M C 1.887 178.197 176.300 0.017 0.000 1.086 393 M CA 2.659 57.975 55.300 0.027 0.000 1.096 393 M CB -1.159 31.457 32.600 0.028 0.000 1.424 393 M HN 0.702 nan 8.290 nan 0.000 0.488 394 D N 0.504 120.911 120.400 0.012 0.000 2.218 394 D HA -0.140 4.500 4.640 -0.000 0.000 0.204 394 D C 1.813 178.118 176.300 0.008 0.000 0.976 394 D CA 1.464 55.469 54.000 0.008 0.000 0.853 394 D CB -0.020 40.784 40.800 0.006 0.000 0.939 394 D HN 0.638 nan 8.370 nan 0.000 0.481 395 E N 0.175 120.381 120.200 0.010 0.000 2.250 395 E HA 0.035 4.385 4.350 -0.000 0.000 0.192 395 E C 1.341 177.947 176.600 0.009 0.000 0.986 395 E CA -0.078 56.327 56.400 0.008 0.000 0.849 395 E CB -0.222 29.483 29.700 0.007 0.000 0.797 395 E HN 0.251 nan 8.360 nan 0.000 0.482 396 L N 1.893 123.124 121.223 0.014 0.000 2.482 396 L HA 0.172 4.512 4.340 -0.000 0.000 0.273 396 L C 1.126 178.003 176.870 0.011 0.000 1.228 396 L CA 0.181 55.030 54.840 0.015 0.000 0.827 396 L CB -0.476 41.598 42.059 0.024 0.000 1.099 396 L HN 0.182 nan 8.230 nan 0.000 0.494 397 S N 0.039 115.745 115.700 0.010 0.000 2.596 397 S HA 0.149 4.619 4.470 -0.000 0.000 0.260 397 S C 0.874 175.478 174.600 0.007 0.000 1.336 397 S CA 0.452 58.656 58.200 0.008 0.000 0.993 397 S CB 0.614 63.818 63.200 0.007 0.000 0.923 397 S HN 0.802 nan 8.310 nan 0.000 0.567 398 E N 1.249 121.451 120.200 0.004 0.000 2.072 398 E HA -0.111 4.239 4.350 -0.000 0.000 0.191 398 E C 2.882 179.482 176.600 0.001 0.000 0.985 398 E CA 1.746 58.147 56.400 0.002 0.000 0.801 398 E CB -1.291 28.409 29.700 0.000 0.000 0.750 398 E HN 0.894 nan 8.360 nan 0.000 0.452 399 Q N 1.744 121.545 119.800 0.003 0.000 2.077 399 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 399 Q C 1.784 177.787 176.000 0.005 0.000 0.989 399 Q CA 2.007 57.812 55.803 0.003 0.000 0.853 399 Q CB -0.863 27.879 28.738 0.006 0.000 0.907 399 Q HN 0.321 nan 8.270 nan 0.000 0.418 400 D N -0.072 120.333 120.400 0.009 0.000 2.144 400 D HA -0.115 4.525 4.640 -0.000 0.000 0.199 400 D C 2.358 178.665 176.300 0.011 0.000 0.984 400 D CA 2.192 56.201 54.000 0.016 0.000 0.834 400 D CB -0.133 40.681 40.800 0.022 0.000 0.955 400 D HN 0.651 nan 8.370 nan 0.000 0.465 401 K N 1.135 121.537 120.400 0.005 0.000 2.103 401 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 401 K C 2.054 178.642 176.600 -0.020 0.000 1.048 401 K CA 1.124 57.409 56.287 -0.003 0.000 0.930 401 K CB -1.057 31.441 32.500 -0.003 0.000 0.716 401 K HN 0.119 nan 8.250 nan 0.000 0.444 402 L N 0.866 122.077 121.223 -0.020 0.000 2.095 402 L HA -0.014 4.326 4.340 -0.000 0.000 0.204 402 L C 2.453 179.296 176.870 -0.046 0.000 1.080 402 L CA 2.517 57.338 54.840 -0.033 0.000 0.759 402 L CB -0.468 41.577 42.059 -0.023 0.000 0.914 402 L HN 0.433 nan 8.230 nan 0.000 0.439 403 T N -1.548 112.989 114.554 -0.028 0.000 2.977 403 T HA -0.114 4.236 4.350 -0.000 0.000 0.271 403 T C 1.837 176.503 174.700 -0.056 0.000 1.105 403 T CA 1.261 63.346 62.100 -0.025 0.000 1.116 403 T CB -0.344 68.527 68.868 0.006 0.000 0.878 403 T HN 0.196 nan 8.240 nan 0.000 0.509 404 V N 1.354 121.223 119.914 -0.076 0.000 2.326 404 V HA 0.029 4.149 4.120 -0.000 0.000 0.238 404 V C 3.157 179.076 176.094 -0.292 0.000 1.038 404 V CA 1.884 64.070 62.300 -0.188 0.000 1.032 404 V CB -1.244 30.540 31.823 -0.066 0.000 0.675 404 V HN 0.563 nan 8.190 nan 0.000 0.467 405 E N 0.357 120.447 120.200 -0.182 0.000 2.208 405 E HA -0.365 3.985 4.350 -0.000 0.000 0.202 405 E C 2.194 178.666 176.600 -0.213 0.000 1.014 405 E CA 2.307 58.602 56.400 -0.174 0.000 0.819 405 E CB -0.697 28.941 29.700 -0.102 0.000 0.735 405 E HN 0.600 nan 8.360 nan 0.000 0.469 406 R N -0.896 119.487 120.500 -0.195 0.000 2.080 406 R HA 0.262 4.602 4.340 -0.000 0.000 0.222 406 R C 2.700 178.863 176.300 -0.229 0.000 1.107 406 R CA 1.146 57.126 56.100 -0.199 0.000 0.980 406 R CB -0.258 29.971 30.300 -0.117 0.000 0.879 406 R HN 0.384 nan 8.270 nan 0.000 0.439 407 A N 1.159 123.841 122.820 -0.228 0.000 1.933 407 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 407 A C 2.086 179.495 177.584 -0.291 0.000 1.175 407 A CA 1.197 53.106 52.037 -0.214 0.000 0.628 407 A CB -0.382 18.488 19.000 -0.217 0.000 0.814 407 A HN 0.323 nan 8.150 nan 0.000 0.444 408 R N -0.164 120.070 120.500 -0.444 0.000 2.096 408 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 408 R C 2.142 178.291 176.300 -0.252 0.000 1.127 408 R CA 1.624 57.511 56.100 -0.355 0.000 0.968 408 R CB -0.251 29.837 30.300 -0.354 0.000 0.861 408 R HN 0.542 nan 8.270 nan 0.000 0.440 409 K N 0.555 120.730 120.400 -0.376 0.000 2.026 409 K HA -0.110 4.210 4.320 -0.000 0.000 0.208 409 K C 2.109 178.442 176.600 -0.445 0.000 1.048 409 K CA 1.376 57.255 56.287 -0.681 0.000 0.929 409 K CB -0.233 31.593 32.500 -1.123 0.000 0.713 409 K HN 0.113 nan 8.250 nan 0.000 0.439 410 I N 1.367 121.797 120.570 -0.233 0.000 2.118 410 I HA -0.359 3.811 4.170 -0.000 0.000 0.241 410 I C 2.848 179.076 176.117 0.185 0.000 1.070 410 I CA 1.523 62.846 61.300 0.039 0.000 1.327 410 I CB -0.277 37.791 38.000 0.113 0.000 1.034 410 I HN 0.293 nan 8.210 nan 0.000 0.405 411 Q N 0.533 120.400 119.800 0.111 0.000 2.119 411 Q HA -0.175 4.165 4.340 -0.000 0.000 0.201 411 Q C 2.375 178.487 176.000 0.187 0.000 0.972 411 Q CA 1.250 57.145 55.803 0.154 0.000 0.847 411 Q CB 0.105 28.921 28.738 0.130 0.000 0.903 411 Q HN 0.384 nan 8.270 nan 0.000 0.433 412 R N -0.740 119.869 120.500 0.182 0.000 2.092 412 R HA -0.103 4.237 4.340 -0.000 0.000 0.231 412 R C 2.006 178.512 176.300 0.343 0.000 1.119 412 R CA 0.969 57.242 56.100 0.287 0.000 0.970 412 R CB -0.189 30.274 30.300 0.272 0.000 0.864 412 R HN 0.231 nan 8.270 nan 0.000 0.440 413 F N 1.167 121.199 119.950 0.136 0.000 2.333 413 F HA -0.054 4.473 4.527 -0.000 0.000 0.300 413 F C 1.539 177.487 175.800 0.247 0.000 1.083 413 F CA 1.031 59.115 58.000 0.141 0.000 1.395 413 F CB -0.111 38.875 39.000 -0.024 0.000 1.056 413 F HN -0.049 nan 8.300 nan 0.000 0.529 414 L N -0.273 121.151 121.223 0.335 0.000 2.599 414 L HA -0.004 4.336 4.340 -0.000 0.000 0.230 414 L C 1.364 178.315 176.870 0.135 0.000 1.141 414 L CA 0.178 55.158 54.840 0.234 0.000 0.877 414 L CB -0.667 41.513 42.059 0.201 0.000 1.009 414 L HN 0.092 nan 8.230 nan 0.000 0.447 415 S N -0.818 114.956 115.700 0.123 0.000 2.661 415 S HA 0.421 4.891 4.470 -0.000 0.000 0.265 415 S C -0.272 174.341 174.600 0.022 0.000 1.225 415 S CA -0.523 57.703 58.200 0.044 0.000 0.986 415 S CB 1.846 65.033 63.200 -0.021 0.000 1.008 415 S HN 0.225 nan 8.310 nan 0.000 0.565 416 Q N -0.142 119.647 119.800 -0.019 0.000 2.443 416 Q HA 0.361 4.701 4.340 -0.000 0.000 0.258 416 Q C -3.181 172.834 176.000 0.024 0.000 0.967 416 Q CA -1.512 54.319 55.803 0.047 0.000 0.951 416 Q CB 2.248 31.113 28.738 0.212 0.000 1.459 416 Q HN 0.465 nan 8.270 nan 0.000 0.415 417 P HA 0.219 nan 4.420 nan 0.000 0.281 417 P C -1.045 176.419 177.300 0.273 0.000 1.286 417 P CA -0.103 63.049 63.100 0.086 0.000 0.772 417 P CB 0.146 31.871 31.700 0.041 0.000 0.862 418 F N 1.913 121.864 119.950 0.002 0.000 2.384 418 F HA 0.339 4.866 4.527 -0.000 0.000 0.338 418 F C 1.865 177.652 175.800 -0.022 0.000 1.103 418 F CA -1.282 56.707 58.000 -0.018 0.000 1.157 418 F CB 0.214 39.208 39.000 -0.010 0.000 1.167 418 F HN 0.368 nan 8.300 nan 0.000 0.529 419 A N 2.763 125.636 122.820 0.088 0.000 1.917 419 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 419 A C 1.907 179.506 177.584 0.025 0.000 1.182 419 A CA 2.453 54.499 52.037 0.015 0.000 0.633 419 A CB -0.927 18.041 19.000 -0.054 0.000 0.819 419 A HN 0.555 nan 8.150 nan 0.000 0.448 420 V N -1.619 118.329 119.914 0.058 0.000 2.725 420 V HA 0.110 4.230 4.120 -0.000 0.000 0.247 420 V C 2.468 178.611 176.094 0.081 0.000 1.058 420 V CA 1.085 63.414 62.300 0.048 0.000 1.080 420 V CB -1.109 30.745 31.823 0.053 0.000 0.713 420 V HN 0.513 nan 8.190 nan 0.000 0.465 421 A N -0.037 122.897 122.820 0.190 0.000 2.261 421 A HA -0.016 4.304 4.320 -0.000 0.000 0.208 421 A C 1.995 179.631 177.584 0.088 0.000 1.223 421 A CA 0.760 52.942 52.037 0.242 0.000 0.833 421 A CB -0.663 18.481 19.000 0.239 0.000 0.830 421 A HN 0.600 nan 8.150 nan 0.000 0.483 422 E N -0.429 119.771 120.200 -0.000 0.000 2.160 422 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 422 E C 1.508 178.037 176.600 -0.119 0.000 0.991 422 E CA 1.397 57.774 56.400 -0.038 0.000 0.810 422 E CB -0.055 29.620 29.700 -0.041 0.000 0.742 422 E HN 0.407 nan 8.360 nan 0.000 0.466 423 V N 0.259 119.998 119.914 -0.291 0.000 2.667 423 V HA -0.193 3.927 4.120 -0.000 0.000 0.252 423 V C 1.531 177.388 176.094 -0.396 0.000 1.065 423 V CA 1.378 63.428 62.300 -0.417 0.000 1.083 423 V CB -0.408 31.036 31.823 -0.633 0.000 0.692 423 V HN 0.272 nan 8.190 nan 0.000 0.468 424 F N 0.631 120.560 119.950 -0.036 0.000 2.317 424 F HA -0.016 4.511 4.527 -0.000 0.000 0.293 424 F C 2.678 178.455 175.800 -0.039 0.000 1.085 424 F CA 1.287 59.254 58.000 -0.054 0.000 1.390 424 F CB -1.357 37.573 39.000 -0.118 0.000 1.077 424 F HN 0.234 nan 8.300 nan 0.000 0.517 425 T N -3.009 111.620 114.554 0.124 0.000 3.014 425 T HA 0.227 4.577 4.350 -0.000 0.000 0.263 425 T C 1.945 176.683 174.700 0.062 0.000 1.078 425 T CA 0.728 62.879 62.100 0.085 0.000 1.135 425 T CB -0.675 68.227 68.868 0.057 0.000 0.895 425 T HN 0.451 nan 8.240 nan 0.000 0.480 426 G N 1.446 110.262 108.800 0.027 0.000 2.203 426 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.263 426 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.263 426 G C -0.023 174.888 174.900 0.019 0.000 1.012 426 G CA 0.514 45.623 45.100 0.014 0.000 0.749 426 G HN 0.692 nan 8.290 nan 0.000 0.512 427 I N 0.253 120.835 120.570 0.020 0.000 2.545 427 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 427 I C -2.322 173.804 176.117 0.014 0.000 1.040 427 I CA -2.763 58.549 61.300 0.020 0.000 1.068 427 I CB 2.556 40.570 38.000 0.024 0.000 1.251 427 I HN -0.190 nan 8.210 nan 0.000 0.424 428 P HA 0.112 nan 4.420 nan 0.000 0.271 428 P C 0.049 177.360 177.300 0.019 0.000 1.216 428 P CA -0.134 62.970 63.100 0.007 0.000 0.776 428 P CB 0.529 32.230 31.700 0.001 0.000 0.881 429 G N 2.873 111.688 108.800 0.024 0.000 2.594 429 G HA2 0.278 4.238 3.960 -0.000 0.000 0.243 429 G HA3 0.278 4.238 3.960 -0.000 0.000 0.243 429 G C -0.572 174.344 174.900 0.027 0.000 1.229 429 G CA -0.434 44.694 45.100 0.046 0.000 0.843 429 G HN 0.320 nan 8.290 nan 0.000 0.578 430 K N 1.388 121.813 120.400 0.042 0.000 2.502 430 K HA 0.262 4.582 4.320 -0.000 0.000 0.254 430 K C -0.984 175.617 176.600 0.001 0.000 0.947 430 K CA -0.622 55.677 56.287 0.020 0.000 0.834 430 K CB 2.614 35.131 32.500 0.028 0.000 1.112 430 K HN 0.357 nan 8.250 nan 0.000 0.427 431 L N 3.316 124.524 121.223 -0.026 0.000 2.319 431 L HA 0.278 4.618 4.340 -0.000 0.000 0.280 431 L C -0.791 176.064 176.870 -0.025 0.000 1.099 431 L CA -0.596 54.216 54.840 -0.047 0.000 0.828 431 L CB 0.830 42.856 42.059 -0.055 0.000 1.150 431 L HN 0.244 nan 8.230 nan 0.000 0.442 432 V N 5.481 125.379 119.914 -0.027 0.000 2.483 432 V HA 0.459 4.579 4.120 -0.000 0.000 0.297 432 V C -0.022 176.060 176.094 -0.020 0.000 1.027 432 V CA -0.851 61.441 62.300 -0.013 0.000 0.855 432 V CB 1.571 33.390 31.823 -0.006 0.000 0.995 432 V HN 0.714 nan 8.190 nan 0.000 0.424 433 R N 2.840 123.336 120.500 -0.008 0.000 2.539 433 R HA 0.309 4.649 4.340 -0.000 0.000 0.275 433 R C 1.306 177.605 176.300 -0.001 0.000 1.077 433 R CA -0.499 55.598 56.100 -0.005 0.000 1.097 433 R CB 1.252 31.555 30.300 0.004 0.000 1.018 433 R HN 0.713 nan 8.270 nan 0.000 0.483 434 L N 3.450 124.676 121.223 0.005 0.000 2.013 434 L HA -0.328 4.012 4.340 -0.000 0.000 0.212 434 L C 2.731 179.617 176.870 0.027 0.000 1.073 434 L CA 2.753 57.604 54.840 0.019 0.000 0.753 434 L CB -0.420 41.672 42.059 0.056 0.000 0.890 434 L HN 0.824 nan 8.230 nan 0.000 0.432 435 K N -0.893 119.530 120.400 0.039 0.000 2.147 435 K HA -0.262 4.058 4.320 -0.000 0.000 0.205 435 K C 1.768 178.390 176.600 0.037 0.000 1.049 435 K CA 1.794 58.107 56.287 0.043 0.000 0.936 435 K CB -1.167 31.360 32.500 0.044 0.000 0.722 435 K HN 0.620 nan 8.250 nan 0.000 0.446 436 D N 0.036 120.456 120.400 0.034 0.000 2.097 436 D HA -0.102 4.538 4.640 -0.000 0.000 0.197 436 D C 1.947 178.286 176.300 0.064 0.000 0.984 436 D CA 2.038 56.066 54.000 0.046 0.000 0.826 436 D CB -0.211 40.610 40.800 0.035 0.000 0.973 436 D HN 0.425 nan 8.370 nan 0.000 0.460 437 T N -0.001 114.573 114.554 0.033 0.000 2.622 437 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 437 T C 2.191 176.933 174.700 0.070 0.000 1.047 437 T CA 1.732 63.853 62.100 0.035 0.000 1.159 437 T CB -0.632 68.179 68.868 -0.095 0.000 0.863 437 T HN -0.007 nan 8.240 nan 0.000 0.422 438 V N 1.906 121.791 119.914 -0.049 0.000 2.332 438 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 438 V C 2.905 179.029 176.094 0.050 0.000 1.055 438 V CA 1.704 63.946 62.300 -0.097 0.000 1.038 438 V CB -1.364 30.336 31.823 -0.204 0.000 0.651 438 V HN 0.562 nan 8.190 nan 0.000 0.450 439 A N -0.213 122.654 122.820 0.078 0.000 1.858 439 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 439 A C 2.502 180.189 177.584 0.172 0.000 1.190 439 A CA 2.243 54.346 52.037 0.110 0.000 0.617 439 A CB -0.872 18.182 19.000 0.091 0.000 0.827 439 A HN 0.497 nan 8.150 nan 0.000 0.443 440 S N -0.697 115.131 115.700 0.212 0.000 2.365 440 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 440 S C 1.586 176.388 174.600 0.338 0.000 1.039 440 S CA 1.863 60.233 58.200 0.284 0.000 1.033 440 S CB -0.546 62.859 63.200 0.341 0.000 0.887 440 S HN 0.528 nan 8.310 nan 0.000 0.447 441 F N 1.375 121.436 119.950 0.184 0.000 2.456 441 F HA 0.148 4.675 4.527 -0.000 0.000 0.298 441 F C 2.187 178.067 175.800 0.135 0.000 1.104 441 F CA 0.592 58.705 58.000 0.188 0.000 1.435 441 F CB -0.194 38.834 39.000 0.045 0.000 1.078 441 F HN 0.083 nan 8.300 nan 0.000 0.546 442 K N 0.427 120.982 120.400 0.257 0.000 2.148 442 K HA -0.091 4.229 4.320 -0.000 0.000 0.204 442 K C 2.211 178.907 176.600 0.160 0.000 1.050 442 K CA 1.029 57.417 56.287 0.168 0.000 0.942 442 K CB -0.148 32.425 32.500 0.122 0.000 0.724 442 K HN 0.186 nan 8.250 nan 0.000 0.446 443 A N 0.375 123.312 122.820 0.195 0.000 1.969 443 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 443 A C 2.093 179.822 177.584 0.242 0.000 1.169 443 A CA 1.306 53.478 52.037 0.225 0.000 0.635 443 A CB -0.299 18.903 19.000 0.337 0.000 0.810 443 A HN 0.152 nan 8.150 nan 0.000 0.445 444 V N -0.162 119.887 119.914 0.225 0.000 2.407 444 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 444 V C 2.424 178.580 176.094 0.104 0.000 1.041 444 V CA 1.479 63.881 62.300 0.169 0.000 1.040 444 V CB -0.748 31.122 31.823 0.078 0.000 0.671 444 V HN 0.536 nan 8.190 nan 0.000 0.455 445 L N -0.132 121.162 121.223 0.118 0.000 2.191 445 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 445 L C 2.214 179.121 176.870 0.062 0.000 1.103 445 L CA 1.397 56.290 54.840 0.089 0.000 0.769 445 L CB -0.347 41.775 42.059 0.105 0.000 0.908 445 L HN 0.406 nan 8.230 nan 0.000 0.438 446 E N -0.472 119.768 120.200 0.066 0.000 2.479 446 E HA 0.083 4.433 4.350 -0.000 0.000 0.193 446 E C 1.168 177.776 176.600 0.013 0.000 1.049 446 E CA 0.408 56.831 56.400 0.037 0.000 0.870 446 E CB 0.308 30.031 29.700 0.038 0.000 0.944 446 E HN 0.445 nan 8.360 nan 0.000 0.492 447 G N 2.173 110.986 108.800 0.022 0.000 2.198 447 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.260 447 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.260 447 G C 0.709 175.576 174.900 -0.055 0.000 1.025 447 G CA 0.692 45.791 45.100 -0.002 0.000 0.769 447 G HN 0.271 nan 8.290 nan 0.000 0.507 448 K N -1.314 119.020 120.400 -0.109 0.000 2.365 448 K HA 0.072 4.392 4.320 -0.000 0.000 0.199 448 K C 0.706 176.937 176.600 -0.614 0.000 1.045 448 K CA 0.972 57.037 56.287 -0.370 0.000 0.962 448 K CB 0.079 32.285 32.500 -0.491 0.000 0.759 448 K HN 0.572 nan 8.250 nan 0.000 0.469 449 Y N 0.193 120.508 120.300 0.025 0.000 2.713 449 Y HA 0.121 4.671 4.550 -0.000 0.000 0.269 449 Y C 0.424 176.376 175.900 0.087 0.000 1.106 449 Y CA -0.691 57.447 58.100 0.063 0.000 1.174 449 Y CB 0.381 38.904 38.460 0.105 0.000 1.186 449 Y HN -0.022 nan 8.280 nan 0.000 0.555 450 D N 0.315 120.763 120.400 0.081 0.000 2.178 450 D HA -0.150 4.490 4.640 -0.000 0.000 0.202 450 D C 1.662 177.995 176.300 0.054 0.000 0.974 450 D CA 1.312 55.335 54.000 0.040 0.000 0.841 450 D CB -0.083 40.713 40.800 -0.007 0.000 0.953 450 D HN 0.484 nan 8.370 nan 0.000 0.478 451 N N 0.471 119.203 118.700 0.053 0.000 2.467 451 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 451 N C 0.474 176.032 175.510 0.080 0.000 1.106 451 N CA 0.100 53.177 53.050 0.046 0.000 0.892 451 N CB -0.174 38.323 38.487 0.016 0.000 0.969 451 N HN 0.149 nan 8.380 nan 0.000 0.454 452 I N 1.476 122.134 120.570 0.147 0.000 2.474 452 I HA 0.190 4.360 4.170 -0.000 0.000 0.287 452 I C -1.882 174.346 176.117 0.186 0.000 1.048 452 I CA -2.003 59.387 61.300 0.149 0.000 1.383 452 I CB 0.801 38.877 38.000 0.127 0.000 1.412 452 I HN -0.125 nan 8.210 nan 0.000 0.531 453 P HA -0.011 nan 4.420 nan 0.000 0.265 453 P C 0.435 177.874 177.300 0.232 0.000 1.187 453 P CA 0.156 63.335 63.100 0.133 0.000 0.766 453 P CB 0.530 32.287 31.700 0.095 0.000 0.820 454 E N 1.400 121.714 120.200 0.190 0.000 2.049 454 E HA -0.299 4.051 4.350 -0.000 0.000 0.198 454 E C 1.666 178.447 176.600 0.302 0.000 1.007 454 E CA 1.201 57.722 56.400 0.203 0.000 0.809 454 E CB -0.391 29.353 29.700 0.073 0.000 0.749 454 E HN 0.624 nan 8.360 nan 0.000 0.450 455 H N -0.118 119.041 119.070 0.148 0.000 2.518 455 H HA -0.045 4.511 4.556 -0.000 0.000 0.292 455 H C 1.764 177.197 175.328 0.174 0.000 1.068 455 H CA 1.065 57.208 56.048 0.159 0.000 1.275 455 H CB 0.192 30.005 29.762 0.086 0.000 1.375 455 H HN 0.164 nan 8.280 nan 0.000 0.563 456 A N -0.186 122.718 122.820 0.140 0.000 2.066 456 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 456 A C 1.875 179.319 177.584 -0.234 0.000 1.157 456 A CA 0.570 52.567 52.037 -0.067 0.000 0.670 456 A CB -0.724 18.169 19.000 -0.180 0.000 0.804 456 A HN 0.317 nan 8.150 nan 0.000 0.453 457 F N -2.333 117.543 119.950 -0.123 0.000 2.569 457 F HA 0.132 4.659 4.527 -0.000 0.000 0.295 457 F C 0.918 176.730 175.800 0.019 0.000 1.115 457 F CA 0.021 57.925 58.000 -0.160 0.000 1.450 457 F CB -0.178 38.700 39.000 -0.204 0.000 1.107 457 F HN 0.293 nan 8.300 nan 0.000 0.563 458 Y N 1.413 121.719 120.300 0.010 0.000 2.465 458 Y HA 0.249 4.799 4.550 -0.000 0.000 0.331 458 Y C 0.752 176.609 175.900 -0.071 0.000 1.102 458 Y CA -1.448 56.598 58.100 -0.089 0.000 1.358 458 Y CB 0.355 38.584 38.460 -0.385 0.000 1.213 458 Y HN 0.169 nan 8.280 nan 0.000 0.525 459 M N 5.068 124.272 119.600 -0.660 0.000 2.298 459 M HA -0.163 4.317 4.480 -0.000 0.000 0.196 459 M C -1.674 174.505 176.300 -0.202 0.000 0.531 459 M CA 1.263 56.219 55.300 -0.574 0.000 0.459 459 M CB -1.414 30.627 32.600 -0.932 0.000 1.279 459 M HN 0.517 nan 8.290 nan 0.000 0.915 460 V N -2.807 117.071 119.914 -0.060 0.000 3.105 460 V HA 1.098 5.218 4.120 -0.000 0.000 0.311 460 V C 0.873 177.005 176.094 0.064 0.000 1.287 460 V CA -0.305 62.000 62.300 0.008 0.000 1.066 460 V CB 1.210 33.035 31.823 0.004 0.000 1.105 460 V HN 0.435 nan 8.190 nan 0.000 0.462 461 G N -0.169 108.669 108.800 0.063 0.000 3.197 461 G HA2 0.536 4.496 3.960 -0.000 0.000 0.167 461 G HA3 0.536 4.496 3.960 -0.000 0.000 0.167 461 G C 0.516 175.484 174.900 0.112 0.000 1.914 461 G CA 0.000 45.139 45.100 0.064 0.000 0.956 461 G HN 1.413 nan 8.290 nan 0.000 0.480 462 G N -1.210 107.650 108.800 0.099 0.000 2.557 462 G HA2 0.368 4.328 3.960 -0.000 0.000 0.292 462 G HA3 0.368 4.328 3.960 -0.000 0.000 0.292 462 G C 0.862 175.883 174.900 0.202 0.000 1.237 462 G CA -0.189 45.003 45.100 0.153 0.000 0.978 462 G HN 0.398 nan 8.290 nan 0.000 0.498 463 I N -0.548 120.161 120.570 0.232 0.000 2.300 463 I HA -0.214 3.956 4.170 -0.000 0.000 0.252 463 I C 2.426 178.431 176.117 -0.186 0.000 1.119 463 I CA 1.816 63.078 61.300 -0.063 0.000 1.384 463 I CB -0.115 37.824 38.000 -0.102 0.000 1.062 463 I HN 0.806 nan 8.210 nan 0.000 0.426 464 E N -0.075 120.085 120.200 -0.068 0.000 2.118 464 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 464 E C 1.480 178.026 176.600 -0.090 0.000 0.992 464 E CA 1.579 57.938 56.400 -0.068 0.000 0.804 464 E CB -0.020 29.668 29.700 -0.020 0.000 0.741 464 E HN 0.543 nan 8.360 nan 0.000 0.458 465 D N -0.680 119.676 120.400 -0.073 0.000 2.277 465 D HA -0.078 4.562 4.640 -0.000 0.000 0.208 465 D C 1.816 178.022 176.300 -0.156 0.000 0.962 465 D CA 0.337 54.292 54.000 -0.075 0.000 0.865 465 D CB 0.201 40.989 40.800 -0.021 0.000 0.939 465 D HN 0.052 nan 8.370 nan 0.000 0.510 466 V N 0.301 120.045 119.914 -0.284 0.000 2.358 466 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 466 V C 2.412 178.265 176.094 -0.403 0.000 1.047 466 V CA 1.058 63.054 62.300 -0.507 0.000 1.035 466 V CB -0.275 30.954 31.823 -0.991 0.000 0.658 466 V HN 0.093 nan 8.190 nan 0.000 0.452 467 V N 0.293 120.015 119.914 -0.321 0.000 2.453 467 V HA -0.125 3.995 4.120 -0.000 0.000 0.247 467 V C 2.649 178.670 176.094 -0.121 0.000 1.048 467 V CA 1.586 63.768 62.300 -0.198 0.000 1.049 467 V CB -1.125 30.619 31.823 -0.132 0.000 0.672 467 V HN 0.517 nan 8.190 nan 0.000 0.457 468 A N -0.096 122.658 122.820 -0.109 0.000 1.930 468 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 468 A C 2.361 179.910 177.584 -0.059 0.000 1.175 468 A CA 2.069 54.066 52.037 -0.066 0.000 0.627 468 A CB -0.387 18.581 19.000 -0.053 0.000 0.815 468 A HN 0.493 nan 8.150 nan 0.000 0.443 469 K N -0.483 119.869 120.400 -0.080 0.000 2.007 469 K HA -0.015 4.305 4.320 -0.000 0.000 0.206 469 K C 2.277 178.849 176.600 -0.046 0.000 1.047 469 K CA 1.009 57.264 56.287 -0.052 0.000 0.937 469 K CB -0.337 32.127 32.500 -0.060 0.000 0.718 469 K HN 0.343 nan 8.250 nan 0.000 0.438 470 A N 1.508 124.275 122.820 -0.088 0.000 1.927 470 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 470 A C 1.866 179.432 177.584 -0.031 0.000 1.185 470 A CA 2.103 54.102 52.037 -0.064 0.000 0.639 470 A CB -0.589 18.350 19.000 -0.101 0.000 0.820 470 A HN 0.492 nan 8.150 nan 0.000 0.451 471 E N -0.712 119.468 120.200 -0.034 0.000 2.072 471 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 471 E C 2.493 179.086 176.600 -0.010 0.000 0.982 471 E CA 1.368 57.757 56.400 -0.019 0.000 0.803 471 E CB -0.215 29.474 29.700 -0.020 0.000 0.755 471 E HN 0.649 nan 8.360 nan 0.000 0.453 472 K N 1.147 121.540 120.400 -0.011 0.000 2.209 472 K HA -0.079 4.241 4.320 -0.000 0.000 0.204 472 K C 1.842 178.445 176.600 0.005 0.000 1.048 472 K CA 1.071 57.357 56.287 -0.002 0.000 0.940 472 K CB -0.841 31.659 32.500 0.001 0.000 0.729 472 K HN 0.075 nan 8.250 nan 0.000 0.451 473 L N -0.429 120.798 121.223 0.007 0.000 2.095 473 L HA 0.038 4.378 4.340 -0.000 0.000 0.204 473 L C 3.086 179.960 176.870 0.007 0.000 1.080 473 L CA 0.840 55.687 54.840 0.013 0.000 0.759 473 L CB -0.484 41.590 42.059 0.023 0.000 0.914 473 L HN 0.405 nan 8.230 nan 0.000 0.439 474 A N 0.329 123.151 122.820 0.003 0.000 2.148 474 A HA -0.025 4.295 4.320 -0.000 0.000 0.222 474 A C 1.369 178.954 177.584 0.002 0.000 1.161 474 A CA 1.539 53.578 52.037 0.002 0.000 0.662 474 A CB -0.560 18.440 19.000 0.000 0.000 0.799 474 A HN 0.405 nan 8.150 nan 0.000 0.466 475 A N 0.000 122.821 122.820 0.002 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.038 52.037 0.001 0.000 0.836 475 A CB 0.000 19.001 19.000 0.001 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486