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 3dod_1_A DATA FIRST_RESID 3 DATA SEQUENCE HDLIEKSKKH LWLPFTQMKD YDENPLIIES GTGIKVKDIN GKEYYDGFSS DATA SEQUENCE VWLNVHGHRK KELDDAIKKQ LGKIAHSTLL GMTNVPATQL AETLIDISPK DATA SEQUENCE KLTRVFYSDS GAEAMEIALK MAFQYWKNIG KPEKQKFIAM KXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX SYKAPIPYVY RSESGDPDEC RDQCLRELAQ DATA SEQUENCE LLEEHHEEIA ALSIESMVQG ASGMIVMPEG YLAGVRELCT TYDVLMIVDE DATA SEQUENCE VATGFGRTGK MFACEHENVQ PDLMAAGKGI TGGYLPIAVT FATEDIYKAF DATA SEQUENCE YDDYENLKTF FHGHSYTGNQ LGCAVALENL ALFESENIVE QVAEKSKKLH DATA SEQUENCE FLLQDLHALP HVGDIRQLGF MCGAELVRSK ETKEPYPADR RIGYKVSLKM DATA SEQUENCE RELGMLTRPL GDVIAFLPPL ASTAEELSEM VAIMKQAIHE VTSLED 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 3 H HA 0.000 nan 4.556 nan 0.000 0.296 3 H C 0.000 175.336 175.328 0.013 0.000 0.993 3 H CA 0.000 56.053 56.048 0.008 0.000 1.023 3 H CB 0.000 29.764 29.762 0.004 0.000 1.292 4 D N 1.901 122.340 120.400 0.065 0.000 2.289 4 D HA -0.055 4.586 4.640 0.002 0.000 0.207 4 D C 1.903 178.198 176.300 -0.009 0.000 0.966 4 D CA 0.583 54.591 54.000 0.013 0.000 0.868 4 D CB -0.012 40.844 40.800 0.094 0.000 0.943 4 D HN 0.350 nan 8.370 nan 0.000 0.514 5 L N 0.536 121.765 121.223 0.011 0.000 2.042 5 L HA -0.085 4.256 4.340 0.002 0.000 0.210 5 L C 2.333 179.206 176.870 0.005 0.000 1.076 5 L CA 1.325 56.176 54.840 0.018 0.000 0.749 5 L CB -0.507 41.569 42.059 0.029 0.000 0.893 5 L HN 0.203 nan 8.230 nan 0.000 0.432 6 I N -0.833 119.714 120.570 -0.038 0.000 2.315 6 I HA -0.225 3.946 4.170 0.002 0.000 0.248 6 I C 2.414 178.486 176.117 -0.076 0.000 1.117 6 I CA 0.769 62.039 61.300 -0.050 0.000 1.404 6 I CB -0.205 37.732 38.000 -0.105 0.000 1.071 6 I HN 0.235 nan 8.210 nan 0.000 0.419 7 E N 1.111 121.218 120.200 -0.155 0.000 2.072 7 E HA -0.166 4.185 4.350 0.002 0.000 0.190 7 E C 2.107 178.667 176.600 -0.067 0.000 0.982 7 E CA 1.017 57.336 56.400 -0.136 0.000 0.803 7 E CB -0.114 29.477 29.700 -0.182 0.000 0.755 7 E HN 0.287 nan 8.360 nan 0.000 0.453 8 K N 0.928 121.310 120.400 -0.030 0.000 2.063 8 K HA -0.118 4.203 4.320 0.002 0.000 0.208 8 K C 2.228 178.835 176.600 0.012 0.000 1.048 8 K CA 1.493 57.784 56.287 0.007 0.000 0.928 8 K CB -0.289 32.251 32.500 0.067 0.000 0.713 8 K HN 0.123 nan 8.250 nan 0.000 0.442 9 S N 0.645 116.371 115.700 0.043 0.000 2.383 9 S HA -0.191 4.280 4.470 0.002 0.000 0.229 9 S C 1.642 176.287 174.600 0.076 0.000 1.030 9 S CA 1.216 59.463 58.200 0.078 0.000 1.002 9 S CB -0.218 63.083 63.200 0.168 0.000 0.829 9 S HN 0.242 nan 8.310 nan 0.000 0.467 10 K N 0.466 120.916 120.400 0.084 0.000 2.432 10 K HA 0.174 4.495 4.320 0.002 0.000 0.196 10 K C 2.008 178.567 176.600 -0.068 0.000 1.038 10 K CA 0.695 57.025 56.287 0.071 0.000 0.986 10 K CB -0.004 32.527 32.500 0.051 0.000 0.782 10 K HN 0.270 nan 8.250 nan 0.000 0.485 11 K N -0.194 120.102 120.400 -0.173 0.000 2.202 11 K HA 0.023 4.344 4.320 0.002 0.000 0.201 11 K C 1.179 177.460 176.600 -0.531 0.000 1.051 11 K CA 1.019 57.058 56.287 -0.413 0.000 0.977 11 K CB 0.414 32.551 32.500 -0.605 0.000 0.792 11 K HN 0.141 nan 8.250 nan 0.000 0.469 12 H N -1.341 117.728 119.070 -0.002 0.000 3.360 12 H HA 0.268 4.825 4.556 0.002 0.000 0.262 12 H C -0.331 175.004 175.328 0.013 0.000 1.149 12 H CA -0.206 55.844 56.048 0.004 0.000 1.181 12 H CB 0.531 30.296 29.762 0.005 0.000 1.564 12 H HN 0.012 nan 8.280 nan 0.000 0.565 13 L N 0.564 121.827 121.223 0.066 0.000 2.357 13 L HA 0.205 4.546 4.340 0.002 0.000 0.273 13 L C -0.543 176.383 176.870 0.093 0.000 1.080 13 L CA -0.567 54.297 54.840 0.041 0.000 0.803 13 L CB 1.496 43.512 42.059 -0.073 0.000 1.174 13 L HN 0.101 nan 8.230 nan 0.000 0.443 14 W N 4.680 125.922 121.300 -0.097 0.000 2.543 14 W HA 0.482 5.143 4.660 0.002 0.000 0.318 14 W C -1.583 174.863 176.519 -0.123 0.000 1.002 14 W CA -1.201 56.085 57.345 -0.098 0.000 1.302 14 W CB 0.780 30.199 29.460 -0.068 0.000 1.299 14 W HN 0.245 nan 8.180 nan 0.000 0.424 15 L N 7.959 129.318 121.223 0.227 0.000 2.399 15 L HA 0.451 4.792 4.340 0.002 0.000 0.266 15 L C -1.386 175.488 176.870 0.006 0.000 1.114 15 L CA -1.856 53.003 54.840 0.032 0.000 0.804 15 L CB 0.818 42.844 42.059 -0.053 0.000 1.146 15 L HN 0.228 nan 8.230 nan 0.000 0.451 16 P HA 0.103 nan 4.420 nan 0.000 0.275 16 P C -0.349 176.934 177.300 -0.029 0.000 1.227 16 P CA -0.231 62.747 63.100 -0.204 0.000 0.781 16 P CB 0.416 32.000 31.700 -0.194 0.000 0.906 17 F N -1.472 118.470 119.950 -0.014 0.000 3.097 17 F HA -0.216 4.313 4.527 0.003 0.000 0.278 17 F C 0.823 176.648 175.800 0.040 0.000 0.917 17 F CA 1.654 59.660 58.000 0.010 0.000 0.962 17 F CB -2.690 36.304 39.000 -0.009 0.000 0.964 17 F HN 0.470 nan 8.300 nan 0.000 0.668 18 T N -1.566 113.093 114.554 0.175 0.000 2.916 18 T HA 0.553 4.904 4.350 0.002 0.000 0.298 18 T C -0.810 173.968 174.700 0.130 0.000 1.031 18 T CA -0.857 61.334 62.100 0.152 0.000 0.993 18 T CB 1.957 70.918 68.868 0.154 0.000 1.045 18 T HN 0.111 nan 8.240 nan 0.000 0.454 19 Q N 4.390 124.236 119.800 0.077 0.000 2.307 19 Q HA 0.282 4.623 4.340 0.002 0.000 0.261 19 Q C 1.014 177.049 176.000 0.057 0.000 1.051 19 Q CA -0.310 55.519 55.803 0.043 0.000 0.911 19 Q CB 0.586 29.315 28.738 -0.016 0.000 1.227 19 Q HN 0.723 nan 8.270 nan 0.000 0.418 20 M N 3.204 122.826 119.600 0.036 0.000 2.358 20 M HA -0.135 4.346 4.480 0.002 0.000 0.264 20 M C 1.328 177.671 176.300 0.072 0.000 1.064 20 M CA 1.391 56.722 55.300 0.052 0.000 1.093 20 M CB -0.627 31.929 32.600 -0.073 0.000 1.401 20 M HN 0.702 nan 8.290 nan 0.000 0.440 21 K N 0.387 120.796 120.400 0.016 0.000 2.097 21 K HA -0.174 4.147 4.320 0.002 0.000 0.206 21 K C 1.318 177.934 176.600 0.028 0.000 1.049 21 K CA 1.314 57.606 56.287 0.007 0.000 0.933 21 K CB 0.140 32.629 32.500 -0.019 0.000 0.717 21 K HN 0.192 nan 8.250 nan 0.000 0.442 22 D N -0.323 120.099 120.400 0.036 0.000 2.117 22 D HA -0.185 4.456 4.640 0.002 0.000 0.198 22 D C 1.670 178.042 176.300 0.120 0.000 0.982 22 D CA 1.010 55.046 54.000 0.060 0.000 0.828 22 D CB -0.310 40.475 40.800 -0.025 0.000 0.967 22 D HN 0.282 nan 8.370 nan 0.000 0.464 23 Y N 1.942 122.270 120.300 0.045 0.000 2.181 23 Y HA -0.194 4.357 4.550 0.002 0.000 0.288 23 Y C 1.671 177.585 175.900 0.023 0.000 1.146 23 Y CA 1.625 59.753 58.100 0.048 0.000 1.164 23 Y CB -0.149 38.333 38.460 0.036 0.000 0.982 23 Y HN -0.189 nan 8.280 nan 0.000 0.515 24 D N 0.132 120.535 120.400 0.005 0.000 2.149 24 D HA -0.193 4.448 4.640 0.002 0.000 0.198 24 D C 1.925 178.140 176.300 -0.140 0.000 0.990 24 D CA 1.889 55.842 54.000 -0.079 0.000 0.839 24 D CB -0.255 40.554 40.800 0.014 0.000 0.948 24 D HN 0.746 nan 8.370 nan 0.000 0.460 25 E N -0.600 119.549 120.200 -0.085 0.000 2.371 25 E HA 0.011 4.362 4.350 0.002 0.000 0.194 25 E C 0.122 176.671 176.600 -0.086 0.000 1.012 25 E CA 0.383 56.744 56.400 -0.065 0.000 0.860 25 E CB 0.138 29.828 29.700 -0.015 0.000 0.811 25 E HN 0.125 nan 8.360 nan 0.000 0.502 26 N N 1.979 120.601 118.700 -0.129 0.000 2.726 26 N HA 0.195 4.936 4.740 0.002 0.000 0.253 26 N C -2.754 172.590 175.510 -0.276 0.000 1.530 26 N CA -0.849 52.117 53.050 -0.140 0.000 0.772 26 N CB 1.784 40.239 38.487 -0.054 0.000 1.220 26 N HN 0.098 nan 8.380 nan 0.000 0.508 27 P HA 0.314 nan 4.420 nan 0.000 0.276 27 P C -0.626 176.519 177.300 -0.258 0.000 1.244 27 P CA -0.607 62.041 63.100 -0.752 0.000 0.801 27 P CB 1.518 32.704 31.700 -0.857 0.000 1.006 28 L N 2.513 123.697 121.223 -0.065 0.000 2.470 28 L HA 0.514 4.855 4.340 0.002 0.000 0.268 28 L C -1.338 175.593 176.870 0.102 0.000 0.964 28 L CA -0.566 54.280 54.840 0.010 0.000 0.839 28 L CB 1.218 43.247 42.059 -0.050 0.000 1.276 28 L HN 0.245 nan 8.230 nan 0.000 0.403 29 I N 6.119 126.731 120.570 0.070 0.000 2.410 29 I HA 0.404 4.575 4.170 0.002 0.000 0.286 29 I C -0.630 175.514 176.117 0.045 0.000 1.009 29 I CA -0.767 60.578 61.300 0.074 0.000 1.111 29 I CB 1.779 39.826 38.000 0.077 0.000 1.262 29 I HN 0.379 nan 8.210 nan 0.000 0.443 30 I N 5.420 126.006 120.570 0.027 0.000 2.396 30 I HA 0.166 4.337 4.170 0.002 0.000 0.292 30 I C 1.034 177.154 176.117 0.004 0.000 0.999 30 I CA 0.302 61.609 61.300 0.012 0.000 1.310 30 I CB 1.334 39.325 38.000 -0.015 0.000 1.404 30 I HN 0.773 nan 8.210 nan 0.000 0.496 31 E N 3.747 123.950 120.200 0.005 0.000 2.364 31 E HA 0.071 4.422 4.350 0.002 0.000 0.203 31 E C 0.116 176.703 176.600 -0.021 0.000 0.888 31 E CA 0.175 56.573 56.400 -0.003 0.000 0.989 31 E CB 0.709 30.415 29.700 0.010 0.000 0.985 31 E HN 0.751 nan 8.360 nan 0.000 0.499 32 S N -1.565 114.116 115.700 -0.031 0.000 2.643 32 S HA 0.774 5.245 4.470 0.002 0.000 0.270 32 S C -0.362 174.184 174.600 -0.091 0.000 1.166 32 S CA -0.519 57.652 58.200 -0.048 0.000 0.815 32 S CB 1.581 64.769 63.200 -0.020 0.000 1.139 32 S HN 0.148 nan 8.310 nan 0.000 0.472 33 G N -0.166 108.582 108.800 -0.087 0.000 2.719 33 G HA2 0.635 4.596 3.960 0.002 0.000 0.298 33 G HA3 0.635 4.596 3.960 0.002 0.000 0.298 33 G C -1.543 173.389 174.900 0.054 0.000 1.411 33 G CA -0.617 44.420 45.100 -0.105 0.000 0.991 33 G HN 0.803 nan 8.290 nan 0.000 0.509 34 T N 0.784 115.393 114.554 0.091 0.000 2.928 34 T HA 0.648 4.999 4.350 0.002 0.000 0.296 34 T C 0.930 175.722 174.700 0.153 0.000 1.000 34 T CA 0.662 62.830 62.100 0.114 0.000 0.989 34 T CB 1.172 70.077 68.868 0.062 0.000 1.005 34 T HN 1.996 nan 8.240 nan 0.000 0.442 35 G N 3.006 111.908 108.800 0.170 0.000 2.627 35 G HA2 -0.297 3.665 3.960 0.002 0.000 0.312 35 G HA3 -0.297 3.665 3.960 0.002 0.000 0.312 35 G C 0.823 175.863 174.900 0.234 0.000 1.299 35 G CA 0.610 45.812 45.100 0.171 0.000 0.989 35 G HN 1.297 nan 8.290 nan 0.000 0.547 36 I N -1.249 119.454 120.570 0.222 0.000 3.752 36 I HA 0.519 4.690 4.170 0.002 0.000 0.313 36 I C 0.490 176.790 176.117 0.305 0.000 1.304 36 I CA 0.310 61.776 61.300 0.278 0.000 1.171 36 I CB -0.327 37.832 38.000 0.266 0.000 1.038 36 I HN 0.190 nan 8.210 nan 0.000 0.427 37 K N 1.720 122.258 120.400 0.231 0.000 2.324 37 K HA 0.615 4.936 4.320 0.002 0.000 0.253 37 K C -0.611 176.041 176.600 0.087 0.000 0.932 37 K CA -0.877 55.484 56.287 0.124 0.000 0.799 37 K CB 3.158 35.646 32.500 -0.020 0.000 1.154 37 K HN 0.171 nan 8.250 nan 0.000 0.425 38 V N -0.682 119.280 119.914 0.080 0.000 2.850 38 V HA 0.596 4.717 4.120 0.002 0.000 0.315 38 V C -0.645 175.516 176.094 0.112 0.000 1.064 38 V CA -0.839 61.466 62.300 0.008 0.000 0.979 38 V CB 1.601 33.398 31.823 -0.043 0.000 1.039 38 V HN 0.721 nan 8.190 nan 0.000 0.452 39 K N 1.969 122.408 120.400 0.065 0.000 2.376 39 K HA 0.465 4.786 4.320 0.002 0.000 0.257 39 K C -0.746 175.920 176.600 0.110 0.000 0.939 39 K CA -0.532 55.804 56.287 0.081 0.000 0.809 39 K CB 1.447 33.955 32.500 0.014 0.000 1.121 39 K HN 1.070 nan 8.250 nan 0.000 0.425 40 D N 3.036 123.551 120.400 0.193 0.000 2.433 40 D HA 0.003 4.645 4.640 0.002 0.000 0.255 40 D C 1.295 177.643 176.300 0.080 0.000 1.226 40 D CA -0.346 53.746 54.000 0.152 0.000 1.015 40 D CB 0.407 41.350 40.800 0.238 0.000 1.091 40 D HN 0.575 nan 8.370 nan 0.000 0.527 41 I N -3.217 117.391 120.570 0.064 0.000 3.291 41 I HA 0.052 4.223 4.170 0.002 0.000 0.279 41 I C 0.655 176.794 176.117 0.036 0.000 1.294 41 I CA 0.452 61.777 61.300 0.042 0.000 1.428 41 I CB -0.694 37.328 38.000 0.038 0.000 1.070 41 I HN 0.180 nan 8.210 nan 0.000 0.478 42 N N 1.154 119.879 118.700 0.042 0.000 2.353 42 N HA 0.206 4.947 4.740 0.002 0.000 0.185 42 N C 1.264 176.780 175.510 0.009 0.000 1.098 42 N CA 0.646 53.712 53.050 0.027 0.000 0.872 42 N CB 0.569 39.073 38.487 0.030 0.000 0.970 42 N HN 0.594 nan 8.380 nan 0.000 0.467 43 G N 1.289 110.096 108.800 0.011 0.000 2.176 43 G HA2 -0.293 3.668 3.960 0.002 0.000 0.232 43 G HA3 -0.293 3.668 3.960 0.002 0.000 0.232 43 G C 0.061 174.930 174.900 -0.052 0.000 0.986 43 G CA -0.307 44.785 45.100 -0.014 0.000 0.643 43 G HN 0.289 nan 8.290 nan 0.000 0.522 44 K N 1.110 121.471 120.400 -0.066 0.000 2.298 44 K HA 0.396 4.717 4.320 0.002 0.000 0.280 44 K C 0.011 176.404 176.600 -0.346 0.000 1.032 44 K CA -0.101 56.055 56.287 -0.218 0.000 0.958 44 K CB 0.318 32.672 32.500 -0.243 0.000 0.978 44 K HN 0.394 nan 8.250 nan 0.000 0.472 45 E N 2.775 122.705 120.200 -0.451 0.000 2.204 45 E HA 0.250 4.601 4.350 0.002 0.000 0.276 45 E C -1.428 174.830 176.600 -0.571 0.000 0.974 45 E CA -0.753 55.427 56.400 -0.367 0.000 0.815 45 E CB 1.163 30.724 29.700 -0.231 0.000 1.119 45 E HN 0.393 nan 8.360 nan 0.000 0.393 46 Y N 0.328 120.569 120.300 -0.098 0.000 2.457 46 Y HA 0.241 4.792 4.550 0.001 0.000 0.343 46 Y C -0.659 175.214 175.900 -0.046 0.000 0.994 46 Y CA -1.062 56.998 58.100 -0.068 0.000 1.031 46 Y CB 0.820 39.274 38.460 -0.009 0.000 1.246 46 Y HN 0.465 nan 8.280 nan 0.000 0.449 47 Y N 1.751 122.159 120.300 0.179 0.000 2.717 47 Y HA -0.066 4.486 4.550 0.003 0.000 0.330 47 Y C 0.914 176.930 175.900 0.195 0.000 1.217 47 Y CA 0.273 58.472 58.100 0.165 0.000 1.506 47 Y CB 0.443 38.981 38.460 0.131 0.000 1.268 47 Y HN 0.569 nan 8.280 nan 0.000 0.561 48 D N 3.701 124.343 120.400 0.403 0.000 2.608 48 D HA 0.054 4.695 4.640 0.002 0.000 0.224 48 D C 1.250 177.793 176.300 0.405 0.000 1.123 48 D CA 0.191 54.438 54.000 0.412 0.000 1.030 48 D CB 0.022 41.103 40.800 0.468 0.000 1.093 48 D HN 0.859 nan 8.370 nan 0.000 0.497 49 G N 1.272 110.260 108.800 0.313 0.000 2.498 49 G HA2 -0.200 3.761 3.960 0.002 0.000 0.219 49 G HA3 -0.200 3.761 3.960 0.002 0.000 0.219 49 G C 1.086 176.206 174.900 0.368 0.000 1.119 49 G CA 0.223 45.510 45.100 0.313 0.000 0.766 49 G HN 0.596 nan 8.290 nan 0.000 0.552 50 F N -1.580 118.493 119.950 0.206 0.000 2.698 50 F HA 0.460 4.988 4.527 0.002 0.000 0.304 50 F C 0.753 176.718 175.800 0.275 0.000 1.108 50 F CA -0.272 57.883 58.000 0.258 0.000 1.263 50 F CB 0.118 39.304 39.000 0.311 0.000 1.013 50 F HN -0.011 nan 8.300 nan 0.000 0.532 51 S N 0.955 116.927 115.700 0.453 0.000 3.559 51 S HA -0.269 4.202 4.470 0.002 0.000 0.369 51 S C 0.622 175.249 174.600 0.044 0.000 0.987 51 S CA 0.860 59.197 58.200 0.228 0.000 1.187 51 S CB -2.208 61.094 63.200 0.170 0.000 0.914 51 S HN 0.730 nan 8.310 nan 0.000 0.480 52 S N -1.709 113.941 115.700 -0.082 0.000 3.614 52 S HA -0.190 4.281 4.470 0.002 0.000 0.360 52 S C 0.533 174.740 174.600 -0.656 0.000 1.023 52 S CA 0.483 58.454 58.200 -0.381 0.000 1.114 52 S CB -1.487 61.713 63.200 -0.000 0.000 0.907 52 S HN 1.850 nan 8.310 nan 0.000 0.470 53 V N -1.428 117.817 119.914 -1.114 0.000 6.356 53 V HA -0.272 3.849 4.120 0.002 0.000 0.325 53 V C 0.788 176.597 176.094 -0.475 0.000 0.504 53 V CA 1.314 63.039 62.300 -0.958 0.000 0.668 53 V CB -2.162 29.126 31.823 -0.890 0.000 0.306 53 V HN 1.230 nan 8.190 nan 0.000 0.878 54 W N -2.303 118.908 121.300 -0.148 0.000 3.105 54 W HA -0.255 4.407 4.660 0.004 0.000 0.308 54 W C 0.765 177.278 176.519 -0.011 0.000 1.182 54 W CA 0.898 58.219 57.345 -0.039 0.000 0.612 54 W CB -2.329 27.123 29.460 -0.014 0.000 2.238 54 W HN 0.770 nan 8.180 nan 0.000 1.307 55 L N -2.872 118.432 121.223 0.135 0.000 2.803 55 L HA 0.401 4.742 4.340 0.002 0.000 0.246 55 L C 0.615 177.525 176.870 0.067 0.000 1.100 55 L CA 0.586 55.483 54.840 0.094 0.000 0.919 55 L CB -0.518 41.566 42.059 0.041 0.000 1.285 55 L HN -0.098 nan 8.230 nan 0.000 0.522 56 N N 0.016 118.743 118.700 0.045 0.000 2.470 56 N HA 0.334 5.075 4.740 0.002 0.000 0.268 56 N C 0.551 176.055 175.510 -0.011 0.000 1.136 56 N CA 0.017 53.066 53.050 -0.002 0.000 0.961 56 N CB 1.353 39.785 38.487 -0.093 0.000 1.067 56 N HN 0.043 nan 8.380 nan 0.000 0.468 57 V N 2.744 122.620 119.914 -0.063 0.000 2.721 57 V HA 0.020 4.141 4.120 0.002 0.000 0.236 57 V C 1.065 176.960 176.094 -0.332 0.000 1.116 57 V CA 0.731 62.894 62.300 -0.228 0.000 1.148 57 V CB -0.371 31.228 31.823 -0.373 0.000 0.886 57 V HN 0.766 nan 8.190 nan 0.000 0.490 58 H N 0.298 119.348 119.070 -0.033 0.000 2.586 58 H HA 0.477 5.034 4.556 0.002 0.000 0.273 58 H C 1.095 176.422 175.328 -0.002 0.000 0.997 58 H CA 0.950 56.972 56.048 -0.043 0.000 1.177 58 H CB 0.565 30.288 29.762 -0.064 0.000 1.471 58 H HN 0.512 nan 8.280 nan 0.000 0.538 59 G N 0.783 109.614 108.800 0.051 0.000 2.685 59 G HA2 -0.199 3.762 3.960 0.002 0.000 0.387 59 G HA3 -0.199 3.762 3.960 0.002 0.000 0.387 59 G C -1.188 173.689 174.900 -0.038 0.000 1.324 59 G CA -0.872 44.238 45.100 0.016 0.000 0.878 59 G HN 0.486 nan 8.290 nan 0.000 0.527 60 H N 0.194 119.363 119.070 0.166 0.000 2.482 60 H HA 0.691 5.248 4.556 0.002 0.000 0.344 60 H C 1.045 176.461 175.328 0.147 0.000 1.151 60 H CA 0.179 56.312 56.048 0.142 0.000 1.300 60 H CB 0.838 30.645 29.762 0.075 0.000 1.494 60 H HN 0.749 nan 8.280 nan 0.000 0.542 61 R N 0.457 121.120 120.500 0.273 0.000 3.251 61 R HA -0.207 4.134 4.340 0.002 0.000 0.249 61 R C -0.579 175.847 176.300 0.210 0.000 0.949 61 R CA 0.144 56.380 56.100 0.227 0.000 0.645 61 R CB -1.080 29.304 30.300 0.139 0.000 1.065 61 R HN 0.382 nan 8.270 nan 0.000 0.452 62 K N 2.143 122.699 120.400 0.258 0.000 2.378 62 K HA 0.017 4.338 4.320 0.002 0.000 0.288 62 K C 1.244 177.883 176.600 0.065 0.000 1.057 62 K CA 0.140 56.494 56.287 0.113 0.000 0.971 62 K CB 0.878 33.401 32.500 0.039 0.000 0.975 62 K HN 0.191 nan 8.250 nan 0.000 0.475 63 K N 3.181 123.602 120.400 0.035 0.000 2.032 63 K HA -0.245 4.076 4.320 0.002 0.000 0.209 63 K C 0.587 177.181 176.600 -0.011 0.000 1.048 63 K CA 2.065 58.367 56.287 0.025 0.000 0.927 63 K CB 0.154 32.662 32.500 0.014 0.000 0.712 63 K HN 0.660 nan 8.250 nan 0.000 0.441 64 E N 0.693 120.858 120.200 -0.058 0.000 2.110 64 E HA -0.170 4.182 4.350 0.002 0.000 0.193 64 E C 1.923 178.452 176.600 -0.118 0.000 0.988 64 E CA 0.960 57.307 56.400 -0.088 0.000 0.804 64 E CB -0.108 29.517 29.700 -0.126 0.000 0.745 64 E HN 0.158 nan 8.360 nan 0.000 0.458 65 L N 1.175 122.287 121.223 -0.185 0.000 2.017 65 L HA -0.174 4.167 4.340 0.002 0.000 0.208 65 L C 1.598 178.393 176.870 -0.125 0.000 1.073 65 L CA 1.787 56.438 54.840 -0.316 0.000 0.745 65 L CB -0.838 40.752 42.059 -0.781 0.000 0.894 65 L HN 0.109 nan 8.230 nan 0.000 0.432 66 D N -0.360 120.069 120.400 0.048 0.000 2.123 66 D HA -0.188 4.453 4.640 0.002 0.000 0.196 66 D C 1.758 178.093 176.300 0.060 0.000 0.992 66 D CA 1.277 55.362 54.000 0.142 0.000 0.833 66 D CB -0.164 40.724 40.800 0.147 0.000 0.954 66 D HN 0.327 nan 8.370 nan 0.000 0.455 67 D N 0.512 120.924 120.400 0.019 0.000 2.117 67 D HA -0.059 4.582 4.640 0.002 0.000 0.198 67 D C 2.079 178.378 176.300 -0.002 0.000 0.982 67 D CA 1.155 55.160 54.000 0.007 0.000 0.828 67 D CB -0.318 40.479 40.800 -0.005 0.000 0.967 67 D HN 0.128 nan 8.370 nan 0.000 0.464 68 A N 0.772 123.579 122.820 -0.022 0.000 1.908 68 A HA -0.165 4.156 4.320 0.002 0.000 0.218 68 A C 2.355 179.934 177.584 -0.008 0.000 1.181 68 A CA 1.019 53.040 52.037 -0.027 0.000 0.627 68 A CB -0.695 18.270 19.000 -0.059 0.000 0.818 68 A HN 0.221 nan 8.150 nan 0.000 0.445 69 I N -0.942 119.635 120.570 0.012 0.000 2.353 69 I HA -0.217 3.954 4.170 0.002 0.000 0.248 69 I C 2.395 178.529 176.117 0.028 0.000 1.119 69 I CA 1.335 62.655 61.300 0.033 0.000 1.417 69 I CB -0.254 37.793 38.000 0.078 0.000 1.078 69 I HN 0.290 nan 8.210 nan 0.000 0.421 70 K N 0.888 121.305 120.400 0.029 0.000 2.057 70 K HA -0.212 4.109 4.320 0.002 0.000 0.207 70 K C 2.168 178.776 176.600 0.013 0.000 1.049 70 K CA 1.214 57.514 56.287 0.022 0.000 0.931 70 K CB -0.138 32.375 32.500 0.023 0.000 0.714 70 K HN 0.172 nan 8.250 nan 0.000 0.440 71 K N 1.087 121.491 120.400 0.008 0.000 2.057 71 K HA -0.245 4.077 4.320 0.002 0.000 0.207 71 K C 2.300 178.901 176.600 0.002 0.000 1.049 71 K CA 1.559 57.847 56.287 0.003 0.000 0.931 71 K CB 0.087 32.586 32.500 -0.002 0.000 0.714 71 K HN -0.053 nan 8.250 nan 0.000 0.440 72 Q N 1.013 120.814 119.800 0.002 0.000 2.167 72 Q HA -0.038 4.303 4.340 0.002 0.000 0.202 72 Q C 1.918 177.921 176.000 0.006 0.000 0.970 72 Q CA 1.199 57.002 55.803 0.001 0.000 0.855 72 Q CB -0.141 28.597 28.738 -0.001 0.000 0.911 72 Q HN 0.388 nan 8.270 nan 0.000 0.438 73 L N -0.687 120.542 121.223 0.011 0.000 2.079 73 L HA -0.130 4.211 4.340 0.002 0.000 0.210 73 L C 2.110 178.985 176.870 0.010 0.000 1.081 73 L CA 1.189 56.037 54.840 0.014 0.000 0.752 73 L CB -0.760 41.309 42.059 0.017 0.000 0.896 73 L HN 0.424 nan 8.230 nan 0.000 0.433 74 G N -0.749 108.056 108.800 0.007 0.000 2.586 74 G HA2 -0.173 3.788 3.960 0.002 0.000 0.215 74 G HA3 -0.173 3.788 3.960 0.002 0.000 0.215 74 G C 1.619 176.520 174.900 0.001 0.000 1.128 74 G CA 0.534 45.636 45.100 0.004 0.000 0.774 74 G HN 0.368 nan 8.290 nan 0.000 0.543 75 K N -1.351 119.049 120.400 -0.000 0.000 2.313 75 K HA 0.505 4.826 4.320 0.002 0.000 0.215 75 K C -0.045 176.551 176.600 -0.005 0.000 1.109 75 K CA 0.015 56.299 56.287 -0.005 0.000 0.895 75 K CB 0.877 33.372 32.500 -0.009 0.000 1.234 75 K HN 0.213 nan 8.250 nan 0.000 0.463 76 I N -1.175 119.393 120.570 -0.004 0.000 2.739 76 I HA 0.116 4.287 4.170 0.002 0.000 0.288 76 I C -0.880 175.243 176.117 0.011 0.000 1.582 76 I CA -0.263 61.036 61.300 -0.001 0.000 1.035 76 I CB 1.941 39.929 38.000 -0.020 0.000 1.432 76 I HN 0.163 nan 8.210 nan 0.000 0.444 77 A N 4.754 127.597 122.820 0.037 0.000 1.878 77 A HA 0.125 4.446 4.320 0.002 0.000 0.213 77 A C 0.355 178.019 177.584 0.134 0.000 1.192 77 A CA 1.284 53.363 52.037 0.070 0.000 0.619 77 A CB -0.214 18.832 19.000 0.076 0.000 0.837 77 A HN 0.814 nan 8.150 nan 0.000 0.446 78 H N -0.812 118.277 119.070 0.031 0.000 3.083 78 H HA 0.527 5.084 4.556 0.002 0.000 0.339 78 H C -0.897 174.433 175.328 0.003 0.000 1.020 78 H CA -0.161 55.910 56.048 0.039 0.000 1.360 78 H CB 1.524 31.362 29.762 0.127 0.000 1.811 78 H HN 0.289 nan 8.280 nan 0.000 0.493 79 S N 2.859 118.173 115.700 -0.644 0.000 2.595 79 S HA 0.457 4.928 4.470 0.002 0.000 0.281 79 S C -0.365 173.861 174.600 -0.623 0.000 1.117 79 S CA -0.858 57.055 58.200 -0.478 0.000 0.873 79 S CB 1.936 65.009 63.200 -0.212 0.000 1.108 79 S HN 0.602 nan 8.310 nan 0.000 0.477 80 T N 0.677 115.044 114.554 -0.311 0.000 2.898 80 T HA 0.372 4.723 4.350 0.002 0.000 0.301 80 T C 0.355 174.969 174.700 -0.144 0.000 1.049 80 T CA -0.302 61.690 62.100 -0.181 0.000 1.095 80 T CB -0.082 68.741 68.868 -0.075 0.000 0.976 80 T HN 0.509 nan 8.240 nan 0.000 0.539 81 L N 3.600 124.767 121.223 -0.093 0.000 2.693 81 L HA 0.417 4.758 4.340 0.002 0.000 0.235 81 L C 0.094 176.930 176.870 -0.058 0.000 1.127 81 L CA 0.240 55.035 54.840 -0.076 0.000 0.914 81 L CB -0.027 41.986 42.059 -0.077 0.000 1.193 81 L HN 0.497 nan 8.230 nan 0.000 0.502 82 L N 0.816 122.007 121.223 -0.053 0.000 2.515 82 L HA 0.342 4.683 4.340 0.002 0.000 0.281 82 L C 1.418 178.274 176.870 -0.024 0.000 1.131 82 L CA 0.748 55.563 54.840 -0.041 0.000 0.905 82 L CB -0.350 41.681 42.059 -0.047 0.000 1.246 82 L HN 0.356 nan 8.230 nan 0.000 0.463 83 G N 2.970 111.767 108.800 -0.005 0.000 2.162 83 G HA2 -0.272 3.689 3.960 0.002 0.000 0.260 83 G HA3 -0.272 3.689 3.960 0.002 0.000 0.260 83 G C 0.115 175.015 174.900 0.001 0.000 0.976 83 G CA 0.615 45.719 45.100 0.007 0.000 0.655 83 G HN 0.616 nan 8.290 nan 0.000 0.533 84 M N -3.418 116.177 119.600 -0.009 0.000 3.419 84 M HA 0.809 5.290 4.480 0.002 0.000 0.287 84 M C -0.697 175.589 176.300 -0.024 0.000 1.333 84 M CA -0.316 54.976 55.300 -0.014 0.000 0.843 84 M CB 1.326 33.910 32.600 -0.026 0.000 1.686 84 M HN 0.508 nan 8.290 nan 0.000 0.491 85 T N -0.282 114.255 114.554 -0.030 0.000 2.647 85 T HA 0.630 4.981 4.350 0.002 0.000 0.295 85 T C -2.037 172.626 174.700 -0.062 0.000 1.126 85 T CA -0.589 61.486 62.100 -0.042 0.000 1.040 85 T CB 1.945 70.808 68.868 -0.008 0.000 1.472 85 T HN 1.014 nan 8.240 nan 0.000 0.500 86 N N -0.016 118.640 118.700 -0.073 0.000 2.571 86 N HA 0.388 5.129 4.740 0.002 0.000 0.273 86 N C 0.784 176.260 175.510 -0.056 0.000 1.340 86 N CA -0.737 52.266 53.050 -0.078 0.000 0.789 86 N CB 1.489 39.903 38.487 -0.122 0.000 1.514 86 N HN 0.265 nan 8.380 nan 0.000 0.499 87 V N 0.351 120.237 119.914 -0.047 0.000 2.237 87 V HA -0.102 4.019 4.120 0.002 0.000 0.245 87 V C -0.880 175.197 176.094 -0.028 0.000 1.046 87 V CA 1.815 64.097 62.300 -0.029 0.000 1.007 87 V CB -1.663 30.146 31.823 -0.023 0.000 0.638 87 V HN 0.655 nan 8.190 nan 0.000 0.445 88 P HA -0.142 nan 4.420 nan 0.000 0.215 88 P C 1.650 178.918 177.300 -0.053 0.000 1.153 88 P CA 2.056 65.130 63.100 -0.043 0.000 0.853 88 P CB -0.167 31.498 31.700 -0.058 0.000 0.788 89 A N -1.090 121.666 122.820 -0.107 0.000 1.930 89 A HA -0.143 4.178 4.320 0.002 0.000 0.217 89 A C 2.183 179.800 177.584 0.054 0.000 1.175 89 A CA 2.188 54.131 52.037 -0.157 0.000 0.627 89 A CB -1.785 17.035 19.000 -0.300 0.000 0.815 89 A HN 0.158 nan 8.150 nan 0.000 0.443 90 T N -0.027 114.546 114.554 0.032 0.000 2.770 90 T HA -0.138 4.213 4.350 0.002 0.000 0.263 90 T C 2.085 176.822 174.700 0.062 0.000 1.039 90 T CA 1.619 63.754 62.100 0.058 0.000 1.142 90 T CB -0.230 68.655 68.868 0.028 0.000 0.868 90 T HN 0.611 nan 8.240 nan 0.000 0.435 91 Q N 0.298 120.123 119.800 0.043 0.000 2.046 91 Q HA -0.020 4.321 4.340 0.002 0.000 0.200 91 Q C 2.371 178.412 176.000 0.069 0.000 0.975 91 Q CA 0.999 56.828 55.803 0.043 0.000 0.836 91 Q CB -0.388 28.365 28.738 0.026 0.000 0.896 91 Q HN 0.296 nan 8.270 nan 0.000 0.428 92 L N 0.886 122.162 121.223 0.088 0.000 2.079 92 L HA -0.175 4.166 4.340 0.002 0.000 0.210 92 L C 2.156 179.124 176.870 0.165 0.000 1.081 92 L CA 2.077 56.996 54.840 0.132 0.000 0.752 92 L CB -0.725 41.428 42.059 0.156 0.000 0.896 92 L HN 0.140 nan 8.230 nan 0.000 0.433 93 A N -1.004 121.924 122.820 0.179 0.000 1.902 93 A HA -0.263 4.059 4.320 0.002 0.000 0.217 93 A C 2.342 179.968 177.584 0.070 0.000 1.181 93 A CA 1.800 53.894 52.037 0.096 0.000 0.623 93 A CB -0.710 18.335 19.000 0.075 0.000 0.818 93 A HN 0.621 nan 8.150 nan 0.000 0.443 94 E N -0.713 119.527 120.200 0.067 0.000 2.077 94 E HA -0.153 4.198 4.350 0.002 0.000 0.193 94 E C 1.952 178.593 176.600 0.069 0.000 0.989 94 E CA 1.634 58.065 56.400 0.052 0.000 0.800 94 E CB -0.099 29.623 29.700 0.038 0.000 0.746 94 E HN 0.613 nan 8.360 nan 0.000 0.452 95 T N 1.407 116.011 114.554 0.085 0.000 2.788 95 T HA -0.118 4.233 4.350 0.002 0.000 0.268 95 T C 1.935 176.719 174.700 0.141 0.000 1.044 95 T CA 0.878 63.036 62.100 0.096 0.000 1.139 95 T CB -0.145 68.780 68.868 0.094 0.000 0.867 95 T HN 0.139 nan 8.240 nan 0.000 0.454 96 L N 0.340 121.677 121.223 0.189 0.000 2.056 96 L HA -0.039 4.302 4.340 0.002 0.000 0.207 96 L C 2.443 179.494 176.870 0.301 0.000 1.078 96 L CA 0.727 55.758 54.840 0.318 0.000 0.749 96 L CB -0.503 41.760 42.059 0.340 0.000 0.901 96 L HN 0.205 nan 8.230 nan 0.000 0.433 97 I N 0.169 120.861 120.570 0.205 0.000 2.286 97 I HA -0.287 3.884 4.170 0.002 0.000 0.248 97 I C 2.222 178.369 176.117 0.050 0.000 1.115 97 I CA 1.552 62.928 61.300 0.126 0.000 1.392 97 I CB -1.079 36.961 38.000 0.067 0.000 1.065 97 I HN 0.334 nan 8.210 nan 0.000 0.418 98 D N 1.252 121.687 120.400 0.058 0.000 2.144 98 D HA -0.166 4.475 4.640 0.002 0.000 0.200 98 D C 1.994 178.311 176.300 0.029 0.000 0.978 98 D CA 1.067 55.087 54.000 0.033 0.000 0.833 98 D CB -0.052 40.771 40.800 0.038 0.000 0.961 98 D HN 0.531 nan 8.370 nan 0.000 0.470 99 I N -1.610 118.999 120.570 0.065 0.000 3.860 99 I HA 0.214 4.385 4.170 0.002 0.000 0.319 99 I C 0.182 176.351 176.117 0.086 0.000 1.279 99 I CA -0.344 61.001 61.300 0.074 0.000 1.220 99 I CB -0.021 38.037 38.000 0.096 0.000 1.027 99 I HN -0.098 nan 8.210 nan 0.000 0.428 100 S N 1.001 116.668 115.700 -0.056 0.000 2.687 100 S HA 0.575 5.046 4.470 0.002 0.000 0.283 100 S C -2.486 171.925 174.600 -0.316 0.000 1.170 100 S CA -1.411 56.552 58.200 -0.395 0.000 1.008 100 S CB 0.443 63.081 63.200 -0.936 0.000 1.026 100 S HN -0.050 nan 8.310 nan 0.000 0.541 101 P HA 0.035 nan 4.420 nan 0.000 0.264 101 P C 0.544 177.723 177.300 -0.202 0.000 1.173 101 P CA 0.059 63.005 63.100 -0.256 0.000 0.761 101 P CB 0.396 31.924 31.700 -0.287 0.000 0.794 102 K N 4.617 124.937 120.400 -0.133 0.000 2.103 102 K HA -0.191 4.131 4.320 0.002 0.000 0.207 102 K C 1.423 177.966 176.600 -0.095 0.000 1.048 102 K CA 1.746 57.974 56.287 -0.098 0.000 0.930 102 K CB -0.234 32.222 32.500 -0.072 0.000 0.716 102 K HN 0.156 nan 8.250 nan 0.000 0.444 103 K N 0.362 120.700 120.400 -0.102 0.000 2.280 103 K HA -0.024 4.297 4.320 0.002 0.000 0.202 103 K C 0.139 176.682 176.600 -0.095 0.000 1.047 103 K CA 0.549 56.782 56.287 -0.090 0.000 0.942 103 K CB -0.204 32.243 32.500 -0.088 0.000 0.739 103 K HN 0.266 nan 8.250 nan 0.000 0.457 104 L N 1.903 123.053 121.223 -0.122 0.000 2.278 104 L HA 0.082 4.423 4.340 0.002 0.000 0.287 104 L C 1.225 178.070 176.870 -0.041 0.000 1.072 104 L CA -0.159 54.624 54.840 -0.094 0.000 0.819 104 L CB 1.036 42.980 42.059 -0.191 0.000 1.176 104 L HN 0.095 nan 8.230 nan 0.000 0.435 105 T N -1.557 112.981 114.554 -0.028 0.000 3.004 105 T HA 0.276 4.627 4.350 0.002 0.000 0.266 105 T C 0.627 175.280 174.700 -0.078 0.000 0.986 105 T CA -0.455 61.612 62.100 -0.055 0.000 0.902 105 T CB 0.378 69.187 68.868 -0.100 0.000 1.118 105 T HN 0.236 nan 8.240 nan 0.000 0.522 106 R N 1.110 121.580 120.500 -0.050 0.000 2.670 106 R HA 0.756 5.097 4.340 0.002 0.000 0.289 106 R C -1.429 174.817 176.300 -0.091 0.000 0.965 106 R CA -1.127 54.919 56.100 -0.089 0.000 0.899 106 R CB 1.851 32.113 30.300 -0.064 0.000 1.173 106 R HN 0.112 nan 8.270 nan 0.000 0.456 107 V N 3.691 123.500 119.914 -0.176 0.000 2.378 107 V HA 0.411 4.532 4.120 0.002 0.000 0.288 107 V C -0.875 175.041 176.094 -0.296 0.000 1.016 107 V CA -0.745 61.310 62.300 -0.408 0.000 0.840 107 V CB 1.295 32.777 31.823 -0.567 0.000 0.994 107 V HN 0.586 nan 8.190 nan 0.000 0.431 108 F N 6.110 125.828 119.950 -0.388 0.000 2.375 108 F HA 0.618 5.146 4.527 0.002 0.000 0.361 108 F C -0.305 175.362 175.800 -0.220 0.000 1.117 108 F CA -0.885 56.998 58.000 -0.195 0.000 1.037 108 F CB 0.678 39.628 39.000 -0.084 0.000 1.192 108 F HN 0.431 nan 8.300 nan 0.000 0.452 109 Y N 3.560 123.753 120.300 -0.177 0.000 2.326 109 Y HA 0.458 5.009 4.550 0.002 0.000 0.333 109 Y C 0.883 176.814 175.900 0.052 0.000 1.240 109 Y CA 0.465 58.529 58.100 -0.061 0.000 1.365 109 Y CB 1.172 39.575 38.460 -0.095 0.000 1.289 109 Y HN 0.671 nan 8.280 nan 0.000 0.548 110 S N -0.938 114.937 115.700 0.292 0.000 2.843 110 S HA 0.329 4.800 4.470 0.002 0.000 0.301 110 S C -0.348 174.325 174.600 0.121 0.000 1.206 110 S CA -0.777 57.562 58.200 0.233 0.000 0.875 110 S CB 1.448 64.812 63.200 0.273 0.000 1.248 110 S HN 0.573 nan 8.310 nan 0.000 0.555 111 D N 0.980 121.379 120.400 -0.001 0.000 2.338 111 D HA 0.223 4.864 4.640 0.002 0.000 0.208 111 D C 0.683 176.971 176.300 -0.021 0.000 0.997 111 D CA 1.101 55.084 54.000 -0.027 0.000 0.880 111 D CB 0.563 41.307 40.800 -0.093 0.000 0.980 111 D HN 0.651 nan 8.370 nan 0.000 0.509 112 S N -1.607 114.081 115.700 -0.020 0.000 2.607 112 S HA 0.505 4.976 4.470 0.002 0.000 0.273 112 S C 1.096 175.720 174.600 0.039 0.000 1.148 112 S CA -0.349 57.852 58.200 0.001 0.000 0.833 112 S CB 1.669 64.850 63.200 -0.031 0.000 1.130 112 S HN -0.032 nan 8.310 nan 0.000 0.470 113 G N 0.824 109.661 108.800 0.060 0.000 2.442 113 G HA2 0.014 3.975 3.960 0.002 0.000 0.219 113 G HA3 0.014 3.975 3.960 0.002 0.000 0.219 113 G C 1.450 176.393 174.900 0.071 0.000 1.141 113 G CA 1.036 46.188 45.100 0.087 0.000 0.763 113 G HN 1.271 nan 8.290 nan 0.000 0.554 114 A N 0.819 123.669 122.820 0.051 0.000 1.902 114 A HA -0.005 4.316 4.320 0.002 0.000 0.217 114 A C 2.157 179.761 177.584 0.034 0.000 1.181 114 A CA 1.849 53.912 52.037 0.044 0.000 0.623 114 A CB -0.387 18.636 19.000 0.037 0.000 0.818 114 A HN 0.450 nan 8.150 nan 0.000 0.443 115 E N -0.316 119.895 120.200 0.017 0.000 2.110 115 E HA -0.139 4.212 4.350 0.002 0.000 0.193 115 E C 2.235 178.886 176.600 0.084 0.000 0.988 115 E CA 0.965 57.387 56.400 0.037 0.000 0.804 115 E CB -0.256 29.399 29.700 -0.074 0.000 0.745 115 E HN 0.631 nan 8.360 nan 0.000 0.458 116 A N 0.742 123.610 122.820 0.080 0.000 1.968 116 A HA -0.114 4.207 4.320 0.002 0.000 0.217 116 A C 2.073 179.684 177.584 0.045 0.000 1.169 116 A CA 0.920 53.008 52.037 0.086 0.000 0.638 116 A CB -0.120 18.939 19.000 0.099 0.000 0.812 116 A HN 0.103 nan 8.150 nan 0.000 0.446 117 M N -0.724 118.899 119.600 0.040 0.000 2.236 117 M HA -0.054 4.427 4.480 0.002 0.000 0.266 117 M C 1.999 178.282 176.300 -0.028 0.000 1.070 117 M CA 1.610 56.918 55.300 0.014 0.000 1.137 117 M CB -1.114 31.505 32.600 0.032 0.000 1.378 117 M HN 0.712 nan 8.290 nan 0.000 0.426 118 E N 0.724 120.914 120.200 -0.016 0.000 2.077 118 E HA -0.170 4.181 4.350 0.002 0.000 0.193 118 E C 1.981 178.542 176.600 -0.065 0.000 0.989 118 E CA 1.206 57.577 56.400 -0.049 0.000 0.800 118 E CB -0.053 29.639 29.700 -0.013 0.000 0.746 118 E HN 0.427 nan 8.360 nan 0.000 0.452 119 I N 1.061 121.616 120.570 -0.026 0.000 2.226 119 I HA -0.272 3.899 4.170 0.002 0.000 0.245 119 I C 2.516 178.566 176.117 -0.112 0.000 1.100 119 I CA 1.134 62.408 61.300 -0.045 0.000 1.374 119 I CB -0.283 37.674 38.000 -0.072 0.000 1.057 119 I HN 0.225 nan 8.210 nan 0.000 0.413 120 A N 0.734 123.489 122.820 -0.107 0.000 1.883 120 A HA -0.178 4.143 4.320 0.002 0.000 0.217 120 A C 2.303 179.830 177.584 -0.095 0.000 1.186 120 A CA 1.478 53.444 52.037 -0.119 0.000 0.624 120 A CB -0.892 18.068 19.000 -0.067 0.000 0.822 120 A HN 0.378 nan 8.150 nan 0.000 0.444 121 L N -0.576 120.584 121.223 -0.105 0.000 2.012 121 L HA -0.224 4.117 4.340 0.002 0.000 0.210 121 L C 2.615 179.479 176.870 -0.010 0.000 1.073 121 L CA 1.688 56.450 54.840 -0.130 0.000 0.748 121 L CB -0.514 41.365 42.059 -0.300 0.000 0.891 121 L HN 0.338 nan 8.230 nan 0.000 0.431 122 K N -0.335 120.059 120.400 -0.010 0.000 2.097 122 K HA -0.135 4.187 4.320 0.002 0.000 0.205 122 K C 2.075 178.862 176.600 0.311 0.000 1.050 122 K CA 1.312 57.675 56.287 0.127 0.000 0.938 122 K CB -0.241 32.234 32.500 -0.041 0.000 0.718 122 K HN 0.344 nan 8.250 nan 0.000 0.442 123 M N 0.500 120.101 119.600 0.002 0.000 2.080 123 M HA -0.183 4.298 4.480 0.002 0.000 0.260 123 M C 2.435 178.807 176.300 0.119 0.000 1.068 123 M CA 1.796 56.926 55.300 -0.283 0.000 1.109 123 M CB -0.418 31.804 32.600 -0.630 0.000 1.342 123 M HN 0.180 nan 8.290 nan 0.000 0.405 124 A N -0.228 122.661 122.820 0.115 0.000 1.898 124 A HA -0.197 4.124 4.320 0.002 0.000 0.216 124 A C 1.979 179.813 177.584 0.416 0.000 1.181 124 A CA 1.375 53.535 52.037 0.205 0.000 0.620 124 A CB -1.009 18.110 19.000 0.198 0.000 0.819 124 A HN 0.542 nan 8.150 nan 0.000 0.442 125 F N 0.380 120.495 119.950 0.275 0.000 2.102 125 F HA -0.202 4.326 4.527 0.002 0.000 0.298 125 F C 2.457 178.447 175.800 0.318 0.000 1.105 125 F CA 2.330 60.515 58.000 0.308 0.000 1.239 125 F CB -0.203 38.920 39.000 0.206 0.000 0.991 125 F HN 0.346 nan 8.300 nan 0.000 0.474 126 Q N -1.236 118.869 119.800 0.507 0.000 2.245 126 Q HA -0.206 4.135 4.340 0.002 0.000 0.201 126 Q C 2.121 178.166 176.000 0.075 0.000 0.955 126 Q CA 1.102 57.120 55.803 0.359 0.000 0.870 126 Q CB -0.449 28.698 28.738 0.682 0.000 0.945 126 Q HN 0.658 nan 8.270 nan 0.000 0.461 127 Y N -0.230 120.101 120.300 0.051 0.000 2.053 127 Y HA -0.303 4.249 4.550 0.002 0.000 0.277 127 Y C 1.333 177.026 175.900 -0.345 0.000 1.159 127 Y CA 2.312 60.238 58.100 -0.289 0.000 1.125 127 Y CB -0.709 37.566 38.460 -0.308 0.000 0.969 127 Y HN 0.182 nan 8.280 nan 0.000 0.492 128 W N 0.708 121.940 121.300 -0.113 0.000 2.363 128 W HA -0.118 4.543 4.660 0.001 0.000 0.296 128 W C 2.677 179.014 176.519 -0.303 0.000 1.212 128 W CA 1.473 58.679 57.345 -0.232 0.000 1.260 128 W CB -0.270 29.153 29.460 -0.062 0.000 1.131 128 W HN -0.003 nan 8.180 nan 0.000 0.530 129 K N 0.457 120.785 120.400 -0.120 0.000 2.057 129 K HA -0.174 4.147 4.320 0.002 0.000 0.206 129 K C 1.765 178.252 176.600 -0.188 0.000 1.050 129 K CA 1.619 57.805 56.287 -0.168 0.000 0.935 129 K CB -0.262 32.110 32.500 -0.213 0.000 0.715 129 K HN -0.034 nan 8.250 nan 0.000 0.439 130 N N 1.182 119.709 118.700 -0.289 0.000 2.104 130 N HA -0.174 4.567 4.740 0.002 0.000 0.190 130 N C 1.546 176.859 175.510 -0.328 0.000 1.024 130 N CA 1.609 54.446 53.050 -0.356 0.000 0.853 130 N CB -0.209 37.912 38.487 -0.611 0.000 1.008 130 N HN 0.492 nan 8.380 nan 0.000 0.424 131 I N -4.051 116.281 120.570 -0.397 0.000 3.810 131 I HA 0.371 4.542 4.170 0.002 0.000 0.322 131 I C 0.765 176.789 176.117 -0.154 0.000 1.288 131 I CA 0.157 61.268 61.300 -0.315 0.000 1.143 131 I CB -0.254 37.465 38.000 -0.468 0.000 1.012 131 I HN 0.048 nan 8.210 nan 0.000 0.423 132 G N 2.448 111.177 108.800 -0.118 0.000 2.132 132 G HA2 -0.226 3.735 3.960 0.002 0.000 0.228 132 G HA3 -0.226 3.735 3.960 0.002 0.000 0.228 132 G C 0.008 174.897 174.900 -0.018 0.000 1.000 132 G CA 0.060 45.123 45.100 -0.061 0.000 0.693 132 G HN 0.560 nan 8.290 nan 0.000 0.515 133 K N -0.100 120.309 120.400 0.015 0.000 2.762 133 K HA 0.329 4.650 4.320 0.002 0.000 0.180 133 K C -2.237 174.360 176.600 -0.005 0.000 1.067 133 K CA -1.362 54.944 56.287 0.032 0.000 0.973 133 K CB 2.652 35.210 32.500 0.098 0.000 1.290 133 K HN 0.177 nan 8.250 nan 0.000 0.604 134 P HA -0.101 nan 4.420 nan 0.000 0.237 134 P C 0.220 177.478 177.300 -0.069 0.000 1.178 134 P CA 0.848 63.898 63.100 -0.084 0.000 0.766 134 P CB 0.402 32.068 31.700 -0.057 0.000 0.876 135 E N 0.569 120.735 120.200 -0.057 0.000 2.204 135 E HA -0.095 4.256 4.350 0.002 0.000 0.194 135 E C 0.844 177.402 176.600 -0.070 0.000 0.989 135 E CA 0.799 57.170 56.400 -0.049 0.000 0.824 135 E CB -0.719 28.947 29.700 -0.057 0.000 0.756 135 E HN 0.272 nan 8.360 nan 0.000 0.477 136 K N 1.942 122.257 120.400 -0.142 0.000 2.121 136 K HA 0.030 4.351 4.320 0.002 0.000 0.235 136 K C 0.286 176.858 176.600 -0.047 0.000 1.200 136 K CA 0.113 56.270 56.287 -0.216 0.000 1.115 136 K CB -0.042 32.074 32.500 -0.639 0.000 1.474 136 K HN 0.379 nan 8.250 nan 0.000 0.295 137 Q N 0.096 119.945 119.800 0.083 0.000 2.140 137 Q HA 0.165 4.506 4.340 0.002 0.000 0.227 137 Q C -0.280 175.935 176.000 0.358 0.000 0.798 137 Q CA -0.269 55.708 55.803 0.290 0.000 0.987 137 Q CB 0.520 29.459 28.738 0.334 0.000 1.161 137 Q HN 0.083 nan 8.270 nan 0.000 0.480 138 K N 1.115 121.672 120.400 0.261 0.000 2.139 138 K HA 0.589 4.910 4.320 0.002 0.000 0.243 138 K C -0.778 176.055 176.600 0.388 0.000 0.983 138 K CA -0.863 55.584 56.287 0.267 0.000 0.890 138 K CB 1.240 33.849 32.500 0.180 0.000 1.090 138 K HN 0.114 nan 8.250 nan 0.000 0.445 139 F N -1.278 118.764 119.950 0.154 0.000 2.620 139 F HA 0.657 5.185 4.527 0.002 0.000 0.320 139 F C -1.015 174.896 175.800 0.186 0.000 1.069 139 F CA -1.360 56.741 58.000 0.167 0.000 0.953 139 F CB 0.911 39.999 39.000 0.146 0.000 1.322 139 F HN 0.202 nan 8.300 nan 0.000 0.479 140 I N 2.394 123.069 120.570 0.175 0.000 2.354 140 I HA 0.612 4.784 4.170 0.002 0.000 0.292 140 I C -0.451 175.727 176.117 0.101 0.000 0.989 140 I CA -1.040 60.294 61.300 0.056 0.000 1.188 140 I CB 1.770 39.835 38.000 0.108 0.000 1.342 140 I HN 0.877 nan 8.210 nan 0.000 0.457 141 A N 8.042 130.844 122.820 -0.030 0.000 2.273 141 A HA 0.725 5.046 4.320 0.002 0.000 0.315 141 A C -0.215 177.420 177.584 0.084 0.000 1.256 141 A CA -0.724 51.370 52.037 0.096 0.000 0.851 141 A CB 0.647 19.684 19.000 0.061 0.000 1.172 141 A HN 0.580 nan 8.150 nan 0.000 0.508 142 M N 2.606 122.278 119.600 0.119 0.000 2.217 142 M HA 0.345 4.826 4.480 0.002 0.000 0.354 142 M C 0.083 176.437 176.300 0.090 0.000 1.225 142 M CA -0.008 55.359 55.300 0.111 0.000 1.137 142 M CB 0.191 32.878 32.600 0.145 0.000 1.576 142 M HN 0.754 nan 8.290 nan 0.000 0.461 174 Y N 1.577 121.675 120.300 -0.336 0.000 2.304 174 Y HA 0.612 5.163 4.550 0.002 0.000 0.327 174 Y C 0.844 176.626 175.900 -0.198 0.000 1.209 174 Y CA -0.262 57.705 58.100 -0.222 0.000 1.299 174 Y CB 0.901 39.253 38.460 -0.180 0.000 1.249 174 Y HN 0.645 nan 8.280 nan 0.000 0.519 175 K N 1.488 121.909 120.400 0.035 0.000 2.156 175 K HA 0.831 5.152 4.320 0.002 0.000 0.254 175 K C -1.067 175.564 176.600 0.053 0.000 0.950 175 K CA -0.643 55.656 56.287 0.020 0.000 0.849 175 K CB 1.758 34.261 32.500 0.004 0.000 1.100 175 K HN 0.710 nan 8.250 nan 0.000 0.434 176 A N 2.794 125.648 122.820 0.057 0.000 2.475 176 A HA 0.693 5.014 4.320 0.002 0.000 0.301 176 A C -2.754 174.878 177.584 0.079 0.000 1.059 176 A CA -1.810 50.267 52.037 0.066 0.000 0.710 176 A CB 1.189 20.230 19.000 0.068 0.000 1.288 176 A HN 0.466 nan 8.150 nan 0.000 0.408 177 P HA 0.535 nan 4.420 nan 0.000 0.290 177 P C -0.727 176.608 177.300 0.060 0.000 1.276 177 P CA -0.102 63.036 63.100 0.063 0.000 0.808 177 P CB 0.851 32.581 31.700 0.049 0.000 0.966 178 I N 4.164 124.743 120.570 0.016 0.000 2.566 178 I HA 0.306 4.477 4.170 0.002 0.000 0.303 178 I C -2.020 173.993 176.117 -0.173 0.000 0.983 178 I CA -2.744 58.492 61.300 -0.108 0.000 1.235 178 I CB 1.127 39.092 38.000 -0.060 0.000 1.386 178 I HN 0.136 nan 8.210 nan 0.000 0.494 179 P HA -0.009 nan 4.420 nan 0.000 0.271 179 P C -1.119 176.170 177.300 -0.017 0.000 1.226 179 P CA 0.133 63.112 63.100 -0.201 0.000 0.765 179 P CB 0.121 31.627 31.700 -0.323 0.000 0.835 180 Y N 4.792 125.044 120.300 -0.080 0.000 2.805 180 Y HA 0.182 4.733 4.550 0.002 0.000 0.339 180 Y C 0.867 176.769 175.900 0.004 0.000 1.012 180 Y CA -1.072 57.015 58.100 -0.022 0.000 1.262 180 Y CB -0.036 38.422 38.460 -0.003 0.000 1.100 180 Y HN 0.057 nan 8.280 nan 0.000 0.559 181 V N 5.240 125.286 119.914 0.220 0.000 2.343 181 V HA -0.355 3.766 4.120 0.002 0.000 0.247 181 V C 1.958 178.094 176.094 0.070 0.000 1.051 181 V CA 2.496 64.856 62.300 0.100 0.000 1.036 181 V CB -1.049 30.833 31.823 0.098 0.000 0.654 181 V HN 0.825 nan 8.190 nan 0.000 0.451 182 Y N 2.301 122.596 120.300 -0.008 0.000 2.081 182 Y HA -0.255 4.294 4.550 -0.002 0.000 0.280 182 Y C 2.165 177.917 175.900 -0.246 0.000 1.163 182 Y CA 1.929 59.977 58.100 -0.086 0.000 1.135 182 Y CB 0.159 38.631 38.460 0.019 0.000 0.970 182 Y HN 0.262 nan 8.280 nan 0.000 0.498 183 R N 1.352 121.415 120.500 -0.729 0.000 3.130 183 R HA 0.233 4.574 4.340 0.002 0.000 0.348 183 R C -0.535 175.523 176.300 -0.404 0.000 1.241 183 R CA 0.259 55.960 56.100 -0.666 0.000 1.141 183 R CB -0.505 29.373 30.300 -0.704 0.000 1.453 183 R HN 0.241 nan 8.270 nan 0.000 0.590 184 S N -0.678 114.865 115.700 -0.261 0.000 2.672 184 S HA 0.240 4.711 4.470 0.002 0.000 0.276 184 S C 0.870 175.400 174.600 -0.117 0.000 1.207 184 S CA -0.706 57.409 58.200 -0.143 0.000 1.002 184 S CB 1.963 65.117 63.200 -0.076 0.000 0.998 184 S HN 0.353 nan 8.310 nan 0.000 0.542 185 E N 1.177 121.330 120.200 -0.079 0.000 2.035 185 E HA -0.204 4.147 4.350 0.002 0.000 0.204 185 E C 2.273 178.842 176.600 -0.053 0.000 1.025 185 E CA 2.018 58.381 56.400 -0.062 0.000 0.835 185 E CB -0.396 29.280 29.700 -0.040 0.000 0.764 185 E HN 0.876 nan 8.360 nan 0.000 0.457 186 S N -0.863 114.815 115.700 -0.037 0.000 2.414 186 S HA 0.068 4.539 4.470 0.002 0.000 0.227 186 S C 1.794 176.383 174.600 -0.019 0.000 1.022 186 S CA 0.618 58.805 58.200 -0.022 0.000 0.958 186 S CB 0.141 63.335 63.200 -0.010 0.000 0.797 186 S HN 0.499 nan 8.310 nan 0.000 0.493 187 G N 1.217 110.003 108.800 -0.024 0.000 2.153 187 G HA2 -0.271 3.690 3.960 0.002 0.000 0.252 187 G HA3 -0.271 3.690 3.960 0.002 0.000 0.252 187 G C -0.346 174.567 174.900 0.020 0.000 0.994 187 G CA 0.364 45.462 45.100 -0.003 0.000 0.698 187 G HN 0.692 nan 8.290 nan 0.000 0.521 188 D N -0.605 119.803 120.400 0.013 0.000 2.303 188 D HA 0.577 5.218 4.640 0.002 0.000 0.236 188 D C -0.480 175.833 176.300 0.023 0.000 1.068 188 D CA -2.070 51.942 54.000 0.021 0.000 0.830 188 D CB 1.621 42.430 40.800 0.016 0.000 1.109 188 D HN 0.006 nan 8.370 nan 0.000 0.496 189 P HA -0.133 nan 4.420 nan 0.000 0.213 189 P C 0.621 177.940 177.300 0.031 0.000 1.170 189 P CA 0.948 64.065 63.100 0.029 0.000 0.898 189 P CB 0.253 31.972 31.700 0.032 0.000 0.787 190 D N -0.339 120.081 120.400 0.034 0.000 2.092 190 D HA -0.179 4.462 4.640 0.002 0.000 0.193 190 D C 1.940 178.262 176.300 0.038 0.000 0.994 190 D CA 1.222 55.246 54.000 0.039 0.000 0.828 190 D CB -0.703 40.116 40.800 0.033 0.000 0.963 190 D HN 0.339 nan 8.370 nan 0.000 0.450 191 E N -0.091 120.125 120.200 0.027 0.000 2.085 191 E HA -0.182 4.169 4.350 0.002 0.000 0.194 191 E C 2.245 178.859 176.600 0.024 0.000 0.994 191 E CA 0.868 57.282 56.400 0.023 0.000 0.801 191 E CB -0.224 29.485 29.700 0.015 0.000 0.743 191 E HN 0.251 nan 8.360 nan 0.000 0.453 192 C N 1.034 120.344 119.300 0.017 0.000 2.442 192 C HA -0.132 4.329 4.460 0.002 0.000 0.279 192 C C 2.795 177.791 174.990 0.011 0.000 1.237 192 C CA 1.007 60.028 59.018 0.005 0.000 1.722 192 C CB -0.856 26.880 27.740 -0.006 0.000 2.056 192 C HN 0.416 nan 8.230 nan 0.000 0.469 193 R N 0.520 121.036 120.500 0.026 0.000 2.143 193 R HA -0.211 4.130 4.340 0.002 0.000 0.239 193 R C 1.793 178.182 176.300 0.149 0.000 1.126 193 R CA 2.820 58.985 56.100 0.108 0.000 0.927 193 R CB -0.827 29.557 30.300 0.140 0.000 0.860 193 R HN 0.559 nan 8.270 nan 0.000 0.433 194 D N -0.171 120.287 120.400 0.097 0.000 2.149 194 D HA -0.185 4.457 4.640 0.002 0.000 0.198 194 D C 1.968 178.313 176.300 0.075 0.000 0.990 194 D CA 1.204 55.254 54.000 0.083 0.000 0.839 194 D CB -0.332 40.501 40.800 0.055 0.000 0.948 194 D HN 0.283 nan 8.370 nan 0.000 0.460 195 Q N 0.293 120.129 119.800 0.060 0.000 2.079 195 Q HA -0.071 4.270 4.340 0.002 0.000 0.200 195 Q C 2.104 178.144 176.000 0.066 0.000 0.974 195 Q CA 1.312 57.144 55.803 0.049 0.000 0.840 195 Q CB -0.671 28.085 28.738 0.030 0.000 0.898 195 Q HN 0.265 nan 8.270 nan 0.000 0.430 196 C N -0.313 119.038 119.300 0.086 0.000 2.435 196 C HA 0.011 4.472 4.460 0.002 0.000 0.279 196 C C 2.535 177.639 174.990 0.190 0.000 1.321 196 C CA 0.369 59.459 59.018 0.120 0.000 1.752 196 C CB -1.069 26.716 27.740 0.075 0.000 1.959 196 C HN 0.513 nan 8.230 nan 0.000 0.500 197 L N 0.029 121.380 121.223 0.213 0.000 2.141 197 L HA -0.106 4.235 4.340 0.002 0.000 0.209 197 L C 2.795 179.716 176.870 0.084 0.000 1.094 197 L CA 1.240 56.171 54.840 0.151 0.000 0.763 197 L CB -0.523 41.608 42.059 0.120 0.000 0.908 197 L HN 0.287 nan 8.230 nan 0.000 0.437 198 R N 0.133 120.677 120.500 0.073 0.000 2.081 198 R HA -0.163 4.178 4.340 0.002 0.000 0.235 198 R C 2.194 178.513 176.300 0.032 0.000 1.131 198 R CA 1.401 57.529 56.100 0.046 0.000 0.960 198 R CB -0.088 30.235 30.300 0.039 0.000 0.856 198 R HN 0.336 nan 8.270 nan 0.000 0.436 199 E N 0.223 120.448 120.200 0.040 0.000 2.110 199 E HA -0.200 4.151 4.350 0.002 0.000 0.193 199 E C 1.931 178.539 176.600 0.013 0.000 0.988 199 E CA 0.897 57.313 56.400 0.027 0.000 0.804 199 E CB -0.062 29.661 29.700 0.038 0.000 0.745 199 E HN 0.283 nan 8.360 nan 0.000 0.458 200 L N 0.354 121.596 121.223 0.033 0.000 2.017 200 L HA -0.184 4.157 4.340 0.002 0.000 0.208 200 L C 2.402 179.240 176.870 -0.053 0.000 1.073 200 L CA 1.262 56.106 54.840 0.007 0.000 0.745 200 L CB -0.348 41.734 42.059 0.039 0.000 0.894 200 L HN 0.163 nan 8.230 nan 0.000 0.432 201 A N -1.009 121.793 122.820 -0.030 0.000 1.902 201 A HA -0.245 4.076 4.320 0.002 0.000 0.217 201 A C 2.120 179.610 177.584 -0.156 0.000 1.181 201 A CA 1.350 53.351 52.037 -0.061 0.000 0.623 201 A CB -0.461 18.563 19.000 0.040 0.000 0.818 201 A HN 0.487 nan 8.150 nan 0.000 0.443 202 Q N -0.566 119.181 119.800 -0.088 0.000 2.050 202 Q HA -0.137 4.204 4.340 0.002 0.000 0.202 202 Q C 2.219 178.133 176.000 -0.144 0.000 0.980 202 Q CA 1.378 57.124 55.803 -0.095 0.000 0.840 202 Q CB -0.542 28.169 28.738 -0.046 0.000 0.898 202 Q HN 0.738 nan 8.270 nan 0.000 0.424 203 L N 0.403 121.551 121.223 -0.126 0.000 2.013 203 L HA -0.231 4.110 4.340 0.002 0.000 0.212 203 L C 2.323 179.064 176.870 -0.216 0.000 1.073 203 L CA 1.235 55.993 54.840 -0.136 0.000 0.753 203 L CB -0.289 41.690 42.059 -0.134 0.000 0.890 203 L HN 0.235 nan 8.230 nan 0.000 0.432 204 L N -0.265 120.770 121.223 -0.314 0.000 2.056 204 L HA -0.237 4.104 4.340 0.002 0.000 0.207 204 L C 2.543 179.026 176.870 -0.644 0.000 1.078 204 L CA 1.427 55.975 54.840 -0.487 0.000 0.749 204 L CB -0.505 41.153 42.059 -0.668 0.000 0.901 204 L HN 0.327 nan 8.230 nan 0.000 0.433 205 E N 0.816 120.587 120.200 -0.716 0.000 2.118 205 E HA -0.263 4.088 4.350 0.002 0.000 0.195 205 E C 1.867 178.409 176.600 -0.096 0.000 0.992 205 E CA 1.746 57.952 56.400 -0.324 0.000 0.804 205 E CB 0.032 29.649 29.700 -0.139 0.000 0.741 205 E HN 0.495 nan 8.360 nan 0.000 0.458 206 E N -1.656 118.403 120.200 -0.234 0.000 2.250 206 E HA -0.012 4.339 4.350 0.002 0.000 0.192 206 E C 1.114 177.344 176.600 -0.617 0.000 0.986 206 E CA 0.670 56.828 56.400 -0.404 0.000 0.849 206 E CB 0.217 29.619 29.700 -0.497 0.000 0.797 206 E HN 0.398 nan 8.360 nan 0.000 0.482 207 H N -0.905 118.031 119.070 -0.223 0.000 3.233 207 H HA 0.067 4.624 4.556 0.002 0.000 0.263 207 H C 1.551 176.734 175.328 -0.240 0.000 1.168 207 H CA 0.199 56.093 56.048 -0.258 0.000 1.159 207 H CB 0.378 29.892 29.762 -0.413 0.000 1.593 207 H HN 0.342 nan 8.280 nan 0.000 0.580 208 H N 1.071 120.085 119.070 -0.094 0.000 2.426 208 H HA -0.083 4.474 4.556 0.002 0.000 0.298 208 H C 0.898 176.182 175.328 -0.073 0.000 1.107 208 H CA 1.135 57.143 56.048 -0.066 0.000 1.298 208 H CB -0.094 29.669 29.762 0.002 0.000 1.377 208 H HN 0.360 nan 8.280 nan 0.000 0.519 209 E N 0.795 120.692 120.200 -0.506 0.000 2.333 209 E HA -0.119 4.232 4.350 0.002 0.000 0.198 209 E C 1.263 177.752 176.600 -0.185 0.000 1.007 209 E CA 1.065 57.276 56.400 -0.316 0.000 0.845 209 E CB 0.092 29.596 29.700 -0.327 0.000 0.766 209 E HN 0.783 nan 8.360 nan 0.000 0.507 210 E N 0.021 120.160 120.200 -0.103 0.000 2.481 210 E HA 0.149 4.500 4.350 0.002 0.000 0.198 210 E C 0.072 176.683 176.600 0.019 0.000 1.027 210 E CA -0.008 56.383 56.400 -0.014 0.000 0.900 210 E CB 0.609 30.361 29.700 0.087 0.000 0.993 210 E HN 0.149 nan 8.360 nan 0.000 0.482 211 I N 0.961 121.517 120.570 -0.024 0.000 2.354 211 I HA 0.247 4.419 4.170 0.002 0.000 0.292 211 I C 0.831 176.918 176.117 -0.049 0.000 0.989 211 I CA -0.488 60.842 61.300 0.050 0.000 1.188 211 I CB 1.766 39.819 38.000 0.088 0.000 1.342 211 I HN 0.002 nan 8.210 nan 0.000 0.457 212 A N 5.188 128.067 122.820 0.097 0.000 1.935 212 A HA 0.628 4.949 4.320 0.002 0.000 0.214 212 A C 0.947 178.787 177.584 0.427 0.000 1.178 212 A CA 1.044 53.203 52.037 0.202 0.000 0.640 212 A CB 0.124 19.391 19.000 0.444 0.000 0.825 212 A HN 0.790 nan 8.150 nan 0.000 0.447 213 A N -1.798 121.228 122.820 0.343 0.000 2.601 213 A HA 0.619 4.940 4.320 0.002 0.000 0.291 213 A C -1.450 176.312 177.584 0.297 0.000 1.075 213 A CA -0.325 51.898 52.037 0.310 0.000 0.671 213 A CB 0.450 19.611 19.000 0.268 0.000 1.277 213 A HN 0.864 nan 8.150 nan 0.000 0.417 214 L N 0.758 122.120 121.223 0.230 0.000 2.365 214 L HA 0.852 5.193 4.340 0.002 0.000 0.273 214 L C -0.368 176.618 176.870 0.193 0.000 1.000 214 L CA -0.289 54.681 54.840 0.217 0.000 0.819 214 L CB 2.040 44.186 42.059 0.145 0.000 1.284 214 L HN 0.800 nan 8.230 nan 0.000 0.418 215 S N 5.637 121.475 115.700 0.230 0.000 2.473 215 S HA 0.741 5.213 4.470 0.002 0.000 0.307 215 S C -0.956 173.736 174.600 0.154 0.000 1.094 215 S CA -0.579 57.730 58.200 0.183 0.000 1.070 215 S CB 1.083 64.417 63.200 0.223 0.000 1.019 215 S HN 0.662 nan 8.310 nan 0.000 0.480 216 I N 3.003 123.643 120.570 0.117 0.000 2.775 216 I HA 0.419 4.590 4.170 0.002 0.000 0.295 216 I C -0.862 175.312 176.117 0.095 0.000 1.287 216 I CA -0.597 60.770 61.300 0.113 0.000 1.029 216 I CB 2.012 40.078 38.000 0.111 0.000 1.282 216 I HN 0.657 nan 8.210 nan 0.000 0.426 217 E N 3.482 123.740 120.200 0.096 0.000 2.383 217 E HA 0.119 4.470 4.350 0.002 0.000 0.264 217 E C -0.539 176.107 176.600 0.076 0.000 1.050 217 E CA -0.204 56.246 56.400 0.083 0.000 0.896 217 E CB 1.143 30.887 29.700 0.073 0.000 0.982 217 E HN 0.408 nan 8.360 nan 0.000 0.424 218 S N 3.562 119.302 115.700 0.067 0.000 2.416 218 S HA 0.072 4.544 4.470 0.002 0.000 0.302 218 S C 0.732 175.366 174.600 0.057 0.000 1.120 218 S CA -0.189 58.048 58.200 0.062 0.000 1.067 218 S CB -0.118 63.118 63.200 0.061 0.000 1.057 218 S HN 0.603 nan 8.310 nan 0.000 0.518 219 M N 2.782 122.419 119.600 0.063 0.000 2.848 219 M HA -0.185 4.296 4.480 0.002 0.000 0.162 219 M C -0.149 176.149 176.300 -0.003 0.000 0.676 219 M CA 1.415 56.735 55.300 0.033 0.000 0.620 219 M CB -2.270 30.329 32.600 -0.001 0.000 2.258 219 M HN 0.421 nan 8.290 nan 0.000 0.266 220 V N 1.939 121.845 119.914 -0.013 0.000 2.483 220 V HA 0.364 4.485 4.120 0.002 0.000 0.297 220 V C 0.190 176.261 176.094 -0.039 0.000 1.027 220 V CA -0.763 61.508 62.300 -0.049 0.000 0.855 220 V CB 1.886 33.656 31.823 -0.089 0.000 0.995 220 V HN 0.298 nan 8.190 nan 0.000 0.424 221 Q N 2.883 122.653 119.800 -0.051 0.000 2.323 221 Q HA 0.369 4.710 4.340 0.002 0.000 0.257 221 Q C 1.179 177.135 176.000 -0.074 0.000 1.022 221 Q CA 0.175 55.953 55.803 -0.042 0.000 0.919 221 Q CB 1.560 30.263 28.738 -0.058 0.000 1.220 221 Q HN 0.933 nan 8.270 nan 0.000 0.427 222 G N 2.193 110.960 108.800 -0.055 0.000 2.551 222 G HA2 -0.183 3.778 3.960 0.002 0.000 0.214 222 G HA3 -0.183 3.778 3.960 0.002 0.000 0.214 222 G C 1.270 176.180 174.900 0.017 0.000 1.250 222 G CA 0.654 45.675 45.100 -0.133 0.000 0.825 222 G HN 0.664 nan 8.290 nan 0.000 0.549 223 A N 0.499 123.421 122.820 0.170 0.000 2.024 223 A HA 0.014 4.335 4.320 0.002 0.000 0.220 223 A C 2.518 180.144 177.584 0.071 0.000 1.164 223 A CA 2.203 54.347 52.037 0.178 0.000 0.643 223 A CB -0.517 18.556 19.000 0.122 0.000 0.806 223 A HN 0.304 nan 8.150 nan 0.000 0.451 224 S N -1.589 114.121 115.700 0.016 0.000 2.603 224 S HA 0.314 4.785 4.470 0.002 0.000 0.229 224 S C 1.161 175.715 174.600 -0.077 0.000 0.972 224 S CA 0.904 59.083 58.200 -0.035 0.000 0.935 224 S CB -0.029 63.124 63.200 -0.077 0.000 0.769 224 S HN 1.603 nan 8.310 nan 0.000 0.536 225 G N 1.210 109.979 108.800 -0.053 0.000 2.188 225 G HA2 -0.130 3.831 3.960 0.002 0.000 0.112 225 G HA3 -0.130 3.831 3.960 0.002 0.000 0.112 225 G C 0.130 174.974 174.900 -0.093 0.000 1.048 225 G CA -0.481 44.585 45.100 -0.057 0.000 0.720 225 G HN 0.152 nan 8.290 nan 0.000 0.487 226 M N -0.770 118.762 119.600 -0.113 0.000 2.212 226 M HA -0.163 4.318 4.480 0.002 0.000 0.193 226 M C 0.389 176.613 176.300 -0.127 0.000 0.493 226 M CA 0.774 55.989 55.300 -0.141 0.000 0.427 226 M CB -2.041 30.478 32.600 -0.135 0.000 1.120 226 M HN 0.483 nan 8.290 nan 0.000 0.929 227 I N 0.338 120.819 120.570 -0.150 0.000 2.322 227 I HA 0.225 4.396 4.170 0.002 0.000 0.292 227 I C 0.725 176.784 176.117 -0.097 0.000 1.060 227 I CA -0.673 60.535 61.300 -0.152 0.000 1.309 227 I CB 0.844 38.674 38.000 -0.285 0.000 1.415 227 I HN -0.015 nan 8.210 nan 0.000 0.492 228 V N 7.600 127.475 119.914 -0.065 0.000 2.508 228 V HA 0.144 4.265 4.120 0.002 0.000 0.281 228 V C 0.642 176.712 176.094 -0.040 0.000 1.041 228 V CA -0.320 61.946 62.300 -0.057 0.000 1.016 228 V CB 0.962 32.750 31.823 -0.058 0.000 0.984 228 V HN 0.671 nan 8.190 nan 0.000 0.478 229 M N 8.236 127.818 119.600 -0.030 0.000 2.239 229 M HA 0.230 4.711 4.480 0.002 0.000 0.348 229 M C -1.976 174.330 176.300 0.010 0.000 1.239 229 M CA -1.199 54.094 55.300 -0.012 0.000 1.114 229 M CB 0.443 33.099 32.600 0.093 0.000 1.641 229 M HN 0.429 nan 8.290 nan 0.000 0.453 230 P HA 0.018 nan 4.420 nan 0.000 0.269 230 P C -1.061 176.284 177.300 0.076 0.000 1.215 230 P CA -0.022 63.098 63.100 0.033 0.000 0.780 230 P CB 0.270 31.984 31.700 0.024 0.000 0.898 231 E N 0.652 120.882 120.200 0.051 0.000 2.480 231 E HA 0.209 4.560 4.350 0.002 0.000 0.258 231 E C 1.181 177.828 176.600 0.078 0.000 0.984 231 E CA 0.846 57.278 56.400 0.053 0.000 0.930 231 E CB -0.405 29.314 29.700 0.032 0.000 0.936 231 E HN 0.814 nan 8.360 nan 0.000 0.466 232 G N 2.555 111.402 108.800 0.079 0.000 2.213 232 G HA2 -0.391 3.570 3.960 0.002 0.000 0.236 232 G HA3 -0.391 3.570 3.960 0.002 0.000 0.236 232 G C 0.514 175.466 174.900 0.087 0.000 0.991 232 G CA 0.404 45.545 45.100 0.069 0.000 0.629 232 G HN 0.685 nan 8.290 nan 0.000 0.517 233 Y N 0.836 121.146 120.300 0.017 0.000 2.153 233 Y HA 0.235 4.787 4.550 0.002 0.000 0.289 233 Y C 2.666 178.579 175.900 0.022 0.000 1.127 233 Y CA 2.041 60.154 58.100 0.021 0.000 1.131 233 Y CB -0.232 38.242 38.460 0.022 0.000 0.995 233 Y HN 0.229 nan 8.280 nan 0.000 0.505 234 L N 0.062 121.264 121.223 -0.035 0.000 2.042 234 L HA -0.234 4.107 4.340 0.002 0.000 0.210 234 L C 2.534 179.324 176.870 -0.133 0.000 1.076 234 L CA 1.805 56.578 54.840 -0.111 0.000 0.749 234 L CB -1.000 41.074 42.059 0.025 0.000 0.893 234 L HN 0.489 nan 8.230 nan 0.000 0.432 235 A N -0.250 122.528 122.820 -0.071 0.000 1.940 235 A HA -0.161 4.160 4.320 0.002 0.000 0.219 235 A C 2.295 179.824 177.584 -0.091 0.000 1.176 235 A CA 1.660 53.660 52.037 -0.061 0.000 0.631 235 A CB -1.158 17.827 19.000 -0.025 0.000 0.814 235 A HN 0.523 nan 8.150 nan 0.000 0.446 236 G N -0.509 108.214 108.800 -0.128 0.000 2.421 236 G HA2 -0.115 3.846 3.960 0.002 0.000 0.216 236 G HA3 -0.115 3.846 3.960 0.002 0.000 0.216 236 G C 1.517 176.317 174.900 -0.166 0.000 1.171 236 G CA 1.254 46.276 45.100 -0.129 0.000 0.775 236 G HN 0.323 nan 8.290 nan 0.000 0.543 237 V N 1.220 120.954 119.914 -0.300 0.000 2.287 237 V HA -0.206 3.915 4.120 0.002 0.000 0.248 237 V C 2.791 178.825 176.094 -0.101 0.000 1.053 237 V CA 2.281 64.440 62.300 -0.235 0.000 1.027 237 V CB -0.545 31.081 31.823 -0.328 0.000 0.646 237 V HN 0.402 nan 8.190 nan 0.000 0.447 238 R N 0.768 121.212 120.500 -0.092 0.000 2.096 238 R HA -0.218 4.123 4.340 0.002 0.000 0.240 238 R C 2.324 178.604 176.300 -0.032 0.000 1.139 238 R CA 2.216 58.287 56.100 -0.049 0.000 0.952 238 R CB -0.745 29.524 30.300 -0.052 0.000 0.854 238 R HN 0.614 nan 8.270 nan 0.000 0.436 239 E N 0.397 120.572 120.200 -0.041 0.000 2.051 239 E HA -0.187 4.164 4.350 0.002 0.000 0.192 239 E C 2.010 178.602 176.600 -0.014 0.000 0.991 239 E CA 1.693 58.074 56.400 -0.032 0.000 0.799 239 E CB -0.201 29.478 29.700 -0.035 0.000 0.748 239 E HN 0.482 nan 8.360 nan 0.000 0.449 240 L N 0.312 121.544 121.223 0.015 0.000 2.046 240 L HA -0.244 4.097 4.340 0.002 0.000 0.208 240 L C 2.991 179.954 176.870 0.156 0.000 1.077 240 L CA 1.268 56.173 54.840 0.109 0.000 0.747 240 L CB -0.493 41.632 42.059 0.109 0.000 0.896 240 L HN 0.279 nan 8.230 nan 0.000 0.432 241 C N -0.651 118.702 119.300 0.088 0.000 2.413 241 C HA -0.190 4.271 4.460 0.002 0.000 0.276 241 C C 2.966 178.009 174.990 0.088 0.000 1.236 241 C CA 1.552 60.632 59.018 0.103 0.000 1.735 241 C CB -0.939 26.843 27.740 0.071 0.000 2.031 241 C HN 0.536 nan 8.230 nan 0.000 0.474 242 T N 0.411 114.986 114.554 0.036 0.000 2.684 242 T HA -0.183 4.168 4.350 0.002 0.000 0.267 242 T C 1.761 176.440 174.700 -0.035 0.000 1.036 242 T CA 2.251 64.358 62.100 0.011 0.000 1.148 242 T CB -0.593 68.266 68.868 -0.015 0.000 0.863 242 T HN 0.602 nan 8.240 nan 0.000 0.436 243 T N 0.532 115.022 114.554 -0.106 0.000 2.803 243 T HA -0.090 4.261 4.350 0.002 0.000 0.269 243 T C 0.969 175.383 174.700 -0.477 0.000 1.052 243 T CA 1.144 63.058 62.100 -0.311 0.000 1.136 243 T CB -0.312 68.300 68.868 -0.427 0.000 0.864 243 T HN 0.482 nan 8.240 nan 0.000 0.467 244 Y N 0.893 121.126 120.300 -0.112 0.000 2.607 244 Y HA 0.238 4.789 4.550 0.001 0.000 0.266 244 Y C 0.219 176.072 175.900 -0.077 0.000 1.178 244 Y CA -1.135 56.834 58.100 -0.218 0.000 1.226 244 Y CB -0.033 38.303 38.460 -0.206 0.000 1.144 244 Y HN 0.050 nan 8.280 nan 0.000 0.528 245 D N 0.143 120.605 120.400 0.104 0.000 2.699 245 D HA -0.143 4.498 4.640 0.002 0.000 0.239 245 D C -0.878 175.576 176.300 0.256 0.000 1.136 245 D CA 0.519 54.640 54.000 0.202 0.000 0.668 245 D CB -1.253 39.650 40.800 0.172 0.000 1.060 245 D HN 0.036 nan 8.370 nan 0.000 0.429 246 V N 0.859 120.923 119.914 0.249 0.000 2.495 246 V HA 0.340 4.461 4.120 0.002 0.000 0.298 246 V C 0.905 177.166 176.094 0.279 0.000 1.031 246 V CA -0.898 61.564 62.300 0.271 0.000 0.871 246 V CB 2.004 33.939 31.823 0.186 0.000 0.988 246 V HN 0.090 nan 8.190 nan 0.000 0.432 247 L N 5.012 126.446 121.223 0.351 0.000 2.455 247 L HA 0.320 4.661 4.340 0.002 0.000 0.272 247 L C 0.256 177.201 176.870 0.125 0.000 1.174 247 L CA 0.425 55.373 54.840 0.180 0.000 0.869 247 L CB 0.419 42.552 42.059 0.123 0.000 1.130 247 L HN 0.601 nan 8.230 nan 0.000 0.474 248 M N 5.214 124.849 119.600 0.059 0.000 2.063 248 M HA 0.409 4.890 4.480 0.002 0.000 0.348 248 M C -0.757 175.556 176.300 0.020 0.000 1.180 248 M CA -0.386 54.941 55.300 0.045 0.000 1.059 248 M CB 0.558 33.168 32.600 0.018 0.000 1.544 248 M HN 0.465 nan 8.290 nan 0.000 0.447 249 I N 5.667 126.263 120.570 0.043 0.000 2.315 249 I HA 0.291 4.462 4.170 0.002 0.000 0.291 249 I C -0.692 175.444 176.117 0.032 0.000 1.006 249 I CA -0.755 60.561 61.300 0.026 0.000 1.265 249 I CB 1.316 39.338 38.000 0.036 0.000 1.387 249 I HN 0.338 nan 8.210 nan 0.000 0.475 250 V N 5.308 125.227 119.914 0.009 0.000 2.384 250 V HA 0.205 4.326 4.120 0.002 0.000 0.287 250 V C -0.164 175.948 176.094 0.029 0.000 1.020 250 V CA -0.597 61.710 62.300 0.013 0.000 0.850 250 V CB 1.746 33.554 31.823 -0.025 0.000 0.987 250 V HN 0.610 nan 8.190 nan 0.000 0.436 251 D N 4.092 124.527 120.400 0.058 0.000 2.380 251 D HA 0.192 4.833 4.640 0.002 0.000 0.230 251 D C 0.538 176.893 176.300 0.092 0.000 1.154 251 D CA -0.092 53.957 54.000 0.081 0.000 0.859 251 D CB 1.132 41.988 40.800 0.094 0.000 1.045 251 D HN 0.563 nan 8.370 nan 0.000 0.495 252 E N 2.927 123.192 120.200 0.110 0.000 2.569 252 E HA 0.053 4.404 4.350 0.002 0.000 0.205 252 E C 1.590 178.309 176.600 0.198 0.000 1.006 252 E CA -0.047 56.439 56.400 0.143 0.000 0.985 252 E CB 0.999 30.794 29.700 0.159 0.000 1.060 252 E HN 0.340 nan 8.360 nan 0.000 0.460 253 V N 0.885 120.915 119.914 0.194 0.000 2.343 253 V HA -0.258 3.863 4.120 0.002 0.000 0.247 253 V C 2.288 178.531 176.094 0.248 0.000 1.051 253 V CA 2.305 64.741 62.300 0.227 0.000 1.036 253 V CB -0.415 31.521 31.823 0.189 0.000 0.654 253 V HN 0.307 nan 8.190 nan 0.000 0.451 254 A N 0.460 123.417 122.820 0.230 0.000 1.911 254 A HA -0.092 4.229 4.320 0.002 0.000 0.212 254 A C 2.415 180.083 177.584 0.141 0.000 1.189 254 A CA 1.629 53.811 52.037 0.242 0.000 0.639 254 A CB -0.717 18.422 19.000 0.232 0.000 0.839 254 A HN 0.576 nan 8.150 nan 0.000 0.449 255 T N -2.020 112.596 114.554 0.103 0.000 3.023 255 T HA 0.242 4.593 4.350 0.002 0.000 0.266 255 T C 1.184 175.912 174.700 0.047 0.000 1.093 255 T CA 0.519 62.656 62.100 0.061 0.000 1.129 255 T CB -0.710 68.193 68.868 0.058 0.000 0.899 255 T HN 0.468 nan 8.240 nan 0.000 0.491 256 G N 0.589 109.439 108.800 0.083 0.000 2.554 256 G HA2 0.375 4.336 3.960 0.002 0.000 0.238 256 G HA3 0.375 4.336 3.960 0.002 0.000 0.238 256 G C -0.365 174.442 174.900 -0.156 0.000 1.259 256 G CA -0.740 44.289 45.100 -0.120 0.000 0.843 256 G HN 0.403 nan 8.290 nan 0.000 0.582 257 F N -0.504 119.134 119.950 -0.521 0.000 2.985 257 F HA -0.188 4.341 4.527 0.002 0.000 0.303 257 F C 1.684 177.423 175.800 -0.101 0.000 0.976 257 F CA 1.370 59.071 58.000 -0.499 0.000 1.013 257 F CB -1.500 37.271 39.000 -0.382 0.000 1.060 257 F HN 1.663 nan 8.300 nan 0.000 0.780 258 G N -0.786 107.985 108.800 -0.049 0.000 2.176 258 G HA2 -0.433 3.528 3.960 0.002 0.000 0.253 258 G HA3 -0.433 3.528 3.960 0.002 0.000 0.253 258 G C 0.996 175.887 174.900 -0.015 0.000 0.979 258 G CA 0.708 45.848 45.100 0.066 0.000 0.641 258 G HN 0.711 nan 8.290 nan 0.000 0.530 259 R N 1.444 121.949 120.500 0.009 0.000 2.105 259 R HA -0.034 4.307 4.340 0.002 0.000 0.239 259 R C 2.537 178.836 176.300 -0.001 0.000 1.135 259 R CA 2.871 58.976 56.100 0.010 0.000 0.967 259 R CB -0.862 29.460 30.300 0.036 0.000 0.861 259 R HN 0.758 nan 8.270 nan 0.000 0.442 260 T N -3.464 111.104 114.554 0.023 0.000 3.206 260 T HA 0.298 4.649 4.350 0.002 0.000 0.253 260 T C 1.033 175.816 174.700 0.139 0.000 1.042 260 T CA 0.173 62.320 62.100 0.078 0.000 0.931 260 T CB 0.120 69.060 68.868 0.120 0.000 1.029 260 T HN 0.451 nan 8.240 nan 0.000 0.564 261 G N 1.127 109.931 108.800 0.007 0.000 2.143 261 G HA2 -0.189 3.772 3.960 0.002 0.000 0.249 261 G HA3 -0.189 3.772 3.960 0.002 0.000 0.249 261 G C -0.136 174.726 174.900 -0.064 0.000 0.981 261 G CA 0.070 45.149 45.100 -0.035 0.000 0.665 261 G HN 0.634 nan 8.290 nan 0.000 0.528 262 K N -1.254 119.087 120.400 -0.099 0.000 2.443 262 K HA 0.668 4.989 4.320 0.002 0.000 0.251 262 K C 0.931 177.419 176.600 -0.187 0.000 0.972 262 K CA -1.040 55.124 56.287 -0.206 0.000 0.833 262 K CB 1.233 33.488 32.500 -0.409 0.000 1.317 262 K HN 0.026 nan 8.250 nan 0.000 0.441 263 M N 0.616 120.080 119.600 -0.226 0.000 2.065 263 M HA 0.027 4.508 4.480 0.002 0.000 0.259 263 M C -0.336 175.479 176.300 -0.808 0.000 1.069 263 M CA 1.921 56.958 55.300 -0.438 0.000 1.110 263 M CB -0.069 32.296 32.600 -0.391 0.000 1.328 263 M HN 0.451 nan 8.290 nan 0.000 0.405 264 F N -1.423 118.370 119.950 -0.262 0.000 2.508 264 F HA 0.561 5.089 4.527 0.002 0.000 0.325 264 F C 1.095 176.802 175.800 -0.156 0.000 1.090 264 F CA -0.527 57.320 58.000 -0.255 0.000 0.945 264 F CB 0.930 39.737 39.000 -0.323 0.000 1.156 264 F HN 0.066 nan 8.300 nan 0.000 0.463 265 A N 0.641 123.528 122.820 0.111 0.000 2.019 265 A HA -0.173 4.148 4.320 0.002 0.000 0.219 265 A C 1.984 179.668 177.584 0.167 0.000 1.164 265 A CA 1.647 53.797 52.037 0.190 0.000 0.644 265 A CB -1.356 17.748 19.000 0.173 0.000 0.805 265 A HN 0.992 nan 8.150 nan 0.000 0.449 266 C N -0.888 118.458 119.300 0.077 0.000 2.466 266 C HA 0.089 4.550 4.460 0.002 0.000 0.283 266 C C 1.879 176.868 174.990 -0.000 0.000 1.472 266 C CA 0.480 59.515 59.018 0.029 0.000 1.765 266 C CB -1.597 26.123 27.740 -0.033 0.000 1.724 266 C HN 0.641 nan 8.230 nan 0.000 0.560 267 E N 0.287 120.467 120.200 -0.034 0.000 2.150 267 E HA -0.170 4.181 4.350 0.002 0.000 0.193 267 E C 1.861 178.400 176.600 -0.102 0.000 0.985 267 E CA 1.092 57.434 56.400 -0.096 0.000 0.814 267 E CB -0.359 29.248 29.700 -0.155 0.000 0.752 267 E HN 0.768 nan 8.360 nan 0.000 0.466 268 H N 0.770 119.830 119.070 -0.017 0.000 2.431 268 H HA -0.115 4.442 4.556 0.002 0.000 0.297 268 H C 0.988 176.308 175.328 -0.012 0.000 1.115 268 H CA 1.238 57.277 56.048 -0.014 0.000 1.277 268 H CB 0.215 29.971 29.762 -0.010 0.000 1.372 268 H HN 0.317 nan 8.280 nan 0.000 0.516 269 E N -0.234 120.022 120.200 0.093 0.000 2.693 269 E HA 0.072 4.423 4.350 0.002 0.000 0.214 269 E C -0.504 176.100 176.600 0.006 0.000 0.990 269 E CA -0.263 56.165 56.400 0.045 0.000 1.047 269 E CB 0.268 29.996 29.700 0.045 0.000 1.039 269 E HN 0.394 nan 8.360 nan 0.000 0.475 270 N N 1.008 119.702 118.700 -0.011 0.000 2.725 270 N HA -0.173 4.569 4.740 0.002 0.000 0.251 270 N C -0.453 175.034 175.510 -0.038 0.000 1.031 270 N CA 0.705 53.736 53.050 -0.032 0.000 0.720 270 N CB -1.067 37.402 38.487 -0.029 0.000 0.930 270 N HN 0.175 nan 8.380 nan 0.000 0.543 271 V N -0.774 119.117 119.914 -0.040 0.000 2.539 271 V HA 0.397 4.518 4.120 0.002 0.000 0.292 271 V C -0.089 175.958 176.094 -0.078 0.000 1.045 271 V CA -0.435 61.834 62.300 -0.051 0.000 0.945 271 V CB 1.810 33.608 31.823 -0.041 0.000 0.993 271 V HN 0.112 nan 8.190 nan 0.000 0.464 272 Q N 6.024 125.776 119.800 -0.079 0.000 2.466 272 Q HA 0.461 4.803 4.340 0.002 0.000 0.242 272 Q C -2.537 173.405 176.000 -0.096 0.000 1.046 272 Q CA -1.725 54.018 55.803 -0.100 0.000 0.841 272 Q CB 1.278 29.965 28.738 -0.085 0.000 1.193 272 Q HN 0.677 nan 8.270 nan 0.000 0.508 273 P HA 0.044 nan 4.420 nan 0.000 0.270 273 P C 0.344 177.585 177.300 -0.098 0.000 1.223 273 P CA -0.160 62.880 63.100 -0.100 0.000 0.785 273 P CB 1.055 32.678 31.700 -0.128 0.000 0.923 274 D N 0.136 120.488 120.400 -0.080 0.000 2.183 274 D HA 0.053 4.694 4.640 0.002 0.000 0.205 274 D C 0.448 176.687 176.300 -0.102 0.000 0.962 274 D CA 1.319 55.258 54.000 -0.101 0.000 0.849 274 D CB 0.299 41.034 40.800 -0.108 0.000 0.978 274 D HN 0.228 nan 8.370 nan 0.000 0.488 275 L N 0.344 121.521 121.223 -0.077 0.000 2.455 275 L HA 0.453 4.794 4.340 0.002 0.000 0.264 275 L C -0.845 176.005 176.870 -0.034 0.000 0.968 275 L CA -0.416 54.390 54.840 -0.057 0.000 0.827 275 L CB 3.062 45.080 42.059 -0.069 0.000 1.317 275 L HN -0.185 nan 8.230 nan 0.000 0.407 276 M N 2.625 122.234 119.600 0.015 0.000 2.326 276 M HA 0.758 5.239 4.480 0.002 0.000 0.292 276 M C -1.391 175.001 176.300 0.154 0.000 1.081 276 M CA -0.360 54.952 55.300 0.020 0.000 0.919 276 M CB 2.191 34.690 32.600 -0.169 0.000 1.634 276 M HN 0.695 nan 8.290 nan 0.000 0.451 277 A N 3.453 126.341 122.820 0.114 0.000 2.305 277 A HA 0.966 5.287 4.320 0.002 0.000 0.322 277 A C -0.952 176.757 177.584 0.208 0.000 1.187 277 A CA -0.356 51.769 52.037 0.145 0.000 0.825 277 A CB 0.963 20.024 19.000 0.102 0.000 1.164 277 A HN 0.999 nan 8.150 nan 0.000 0.498 278 A N 1.101 124.081 122.820 0.267 0.000 2.539 278 A HA 0.970 5.291 4.320 0.002 0.000 0.296 278 A C 0.112 177.894 177.584 0.331 0.000 1.073 278 A CA 0.059 52.326 52.037 0.383 0.000 0.700 278 A CB 1.520 20.890 19.000 0.616 0.000 1.296 278 A HN 2.251 nan 8.150 nan 0.000 0.405 279 G N -0.455 108.559 108.800 0.357 0.000 2.696 279 G HA2 0.472 4.433 3.960 0.002 0.000 0.151 279 G HA3 0.472 4.433 3.960 0.002 0.000 0.151 279 G C 0.240 175.258 174.900 0.197 0.000 1.197 279 G CA 0.459 45.698 45.100 0.231 0.000 1.053 279 G HN 0.914 nan 8.290 nan 0.000 0.546 280 K N -0.945 119.533 120.400 0.131 0.000 4.308 280 K HA -0.325 3.996 4.320 0.002 0.000 0.233 280 K C 1.982 178.622 176.600 0.068 0.000 0.710 280 K CA 2.309 58.659 56.287 0.105 0.000 0.749 280 K CB -1.552 31.041 32.500 0.155 0.000 0.766 280 K HN 0.873 nan 8.250 nan 0.000 0.824 281 G N 0.974 109.839 108.800 0.108 0.000 2.586 281 G HA2 -0.164 3.797 3.960 0.002 0.000 0.215 281 G HA3 -0.164 3.797 3.960 0.002 0.000 0.215 281 G C 1.247 175.968 174.900 -0.299 0.000 1.128 281 G CA 0.838 45.957 45.100 0.032 0.000 0.774 281 G HN 0.504 nan 8.290 nan 0.000 0.543 282 I N 1.432 121.693 120.570 -0.516 0.000 2.264 282 I HA -0.168 4.003 4.170 0.002 0.000 0.248 282 I C 2.442 178.263 176.117 -0.494 0.000 1.111 282 I CA 1.876 62.557 61.300 -1.031 0.000 1.382 282 I CB 0.150 37.857 38.000 -0.488 0.000 1.060 282 I HN 0.262 nan 8.210 nan 0.000 0.418 283 T N -2.624 111.804 114.554 -0.212 0.000 3.186 283 T HA 0.375 4.726 4.350 0.002 0.000 0.257 283 T C 1.332 176.005 174.700 -0.045 0.000 1.029 283 T CA 0.163 62.206 62.100 -0.094 0.000 0.916 283 T CB 0.264 69.127 68.868 -0.008 0.000 1.041 283 T HN 0.564 nan 8.240 nan 0.000 0.562 284 G N 1.012 109.795 108.800 -0.028 0.000 2.175 284 G HA2 -0.013 3.948 3.960 0.002 0.000 0.265 284 G HA3 -0.013 3.948 3.960 0.002 0.000 0.265 284 G C 1.069 176.046 174.900 0.128 0.000 0.979 284 G CA 0.400 45.544 45.100 0.073 0.000 0.663 284 G HN 1.862 nan 8.290 nan 0.000 0.533 285 G N -2.464 106.414 108.800 0.129 0.000 2.163 285 G HA2 -0.214 3.747 3.960 0.002 0.000 0.213 285 G HA3 -0.214 3.747 3.960 0.002 0.000 0.213 285 G C 0.735 175.771 174.900 0.228 0.000 0.991 285 G CA 0.813 46.001 45.100 0.146 0.000 0.653 285 G HN 0.788 nan 8.290 nan 0.000 0.518 286 Y N -0.271 120.027 120.300 -0.002 0.000 2.301 286 Y HA 0.592 5.143 4.550 0.002 0.000 0.295 286 Y C 1.651 177.545 175.900 -0.010 0.000 1.119 286 Y CA 0.849 58.952 58.100 0.005 0.000 1.162 286 Y CB 0.306 38.771 38.460 0.008 0.000 1.046 286 Y HN 0.282 nan 8.280 nan 0.000 0.538 287 L N 0.187 121.492 121.223 0.138 0.000 2.465 287 L HA 0.373 4.714 4.340 0.002 0.000 0.257 287 L C -2.665 174.214 176.870 0.016 0.000 0.988 287 L CA -2.130 52.740 54.840 0.050 0.000 0.827 287 L CB 2.797 44.888 42.059 0.052 0.000 1.397 287 L HN -0.233 nan 8.230 nan 0.000 0.410 288 P HA 0.334 nan 4.420 nan 0.000 0.279 288 P C -1.199 176.097 177.300 -0.006 0.000 1.318 288 P CA -0.024 63.064 63.100 -0.020 0.000 0.819 288 P CB 0.634 32.302 31.700 -0.054 0.000 0.927 289 I N 2.360 122.945 120.570 0.025 0.000 2.802 289 I HA 0.695 4.866 4.170 0.002 0.000 0.298 289 I C -0.314 175.864 176.117 0.102 0.000 1.176 289 I CA -0.995 60.343 61.300 0.064 0.000 1.025 289 I CB 2.207 40.242 38.000 0.058 0.000 1.243 289 I HN 0.335 nan 8.210 nan 0.000 0.424 290 A N 4.897 127.809 122.820 0.152 0.000 2.566 290 A HA 0.907 5.228 4.320 0.002 0.000 0.292 290 A C -1.699 175.975 177.584 0.150 0.000 1.112 290 A CA -0.524 51.605 52.037 0.153 0.000 0.707 290 A CB 2.117 21.188 19.000 0.118 0.000 1.302 290 A HN 0.330 nan 8.150 nan 0.000 0.409 291 V N 0.575 120.532 119.914 0.073 0.000 2.760 291 V HA 0.607 4.728 4.120 0.002 0.000 0.309 291 V C -0.426 175.614 176.094 -0.091 0.000 1.077 291 V CA -0.458 61.758 62.300 -0.140 0.000 0.910 291 V CB 2.231 33.795 31.823 -0.432 0.000 1.008 291 V HN 0.922 nan 8.190 nan 0.000 0.424 292 T N 5.002 119.499 114.554 -0.095 0.000 2.756 292 T HA 0.601 4.952 4.350 0.002 0.000 0.290 292 T C -0.505 174.095 174.700 -0.167 0.000 0.985 292 T CA -0.057 62.009 62.100 -0.057 0.000 0.955 292 T CB 0.227 69.074 68.868 -0.035 0.000 0.930 292 T HN 0.277 nan 8.240 nan 0.000 0.451 293 F N 2.227 122.119 119.950 -0.097 0.000 2.399 293 F HA 0.617 5.146 4.527 0.002 0.000 0.342 293 F C 0.801 176.520 175.800 -0.134 0.000 1.106 293 F CA -0.561 57.360 58.000 -0.131 0.000 1.196 293 F CB 0.796 39.681 39.000 -0.191 0.000 1.163 293 F HN 0.597 nan 8.300 nan 0.000 0.547 294 A N 1.054 123.909 122.820 0.060 0.000 2.479 294 A HA 0.730 5.051 4.320 0.002 0.000 0.296 294 A C -0.306 177.267 177.584 -0.019 0.000 1.121 294 A CA -0.663 51.362 52.037 -0.019 0.000 0.743 294 A CB 0.908 19.869 19.000 -0.065 0.000 1.323 294 A HN 0.714 nan 8.150 nan 0.000 0.415 295 T N -1.496 113.025 114.554 -0.055 0.000 2.828 295 T HA 0.320 4.671 4.350 0.002 0.000 0.290 295 T C 0.801 175.491 174.700 -0.016 0.000 1.019 295 T CA 0.404 62.471 62.100 -0.055 0.000 1.031 295 T CB 0.940 69.758 68.868 -0.083 0.000 1.001 295 T HN 0.627 nan 8.240 nan 0.000 0.531 296 E N 0.380 120.566 120.200 -0.024 0.000 2.110 296 E HA -0.123 4.228 4.350 0.002 0.000 0.193 296 E C 1.598 178.250 176.600 0.086 0.000 0.988 296 E CA 1.396 57.803 56.400 0.012 0.000 0.804 296 E CB -0.415 29.263 29.700 -0.036 0.000 0.745 296 E HN 0.701 nan 8.360 nan 0.000 0.458 297 D N -0.188 120.233 120.400 0.036 0.000 2.149 297 D HA -0.154 4.487 4.640 0.002 0.000 0.198 297 D C 1.993 178.363 176.300 0.117 0.000 0.990 297 D CA 0.980 55.016 54.000 0.059 0.000 0.839 297 D CB -0.152 40.653 40.800 0.008 0.000 0.948 297 D HN 0.311 nan 8.370 nan 0.000 0.460 298 I N -0.127 120.456 120.570 0.023 0.000 2.163 298 I HA -0.285 3.886 4.170 0.002 0.000 0.240 298 I C 2.367 178.674 176.117 0.318 0.000 1.081 298 I CA 0.834 62.169 61.300 0.057 0.000 1.353 298 I CB -0.326 37.578 38.000 -0.161 0.000 1.054 298 I HN -0.014 nan 8.210 nan 0.000 0.407 299 Y N 2.749 123.109 120.300 0.100 0.000 2.151 299 Y HA -0.366 4.185 4.550 0.002 0.000 0.284 299 Y C 2.576 178.629 175.900 0.254 0.000 1.166 299 Y CA 2.279 60.465 58.100 0.143 0.000 1.163 299 Y CB -0.235 38.259 38.460 0.058 0.000 0.974 299 Y HN 0.147 nan 8.280 nan 0.000 0.511 300 K N -0.171 120.426 120.400 0.329 0.000 2.288 300 K HA 0.050 4.371 4.320 0.002 0.000 0.201 300 K C 1.939 178.620 176.600 0.135 0.000 1.048 300 K CA 1.012 57.419 56.287 0.200 0.000 0.956 300 K CB -0.424 32.166 32.500 0.149 0.000 0.746 300 K HN 0.274 nan 8.250 nan 0.000 0.461 301 A N 0.616 123.517 122.820 0.135 0.000 2.172 301 A HA 0.055 4.376 4.320 0.002 0.000 0.216 301 A C 1.063 178.484 177.584 -0.272 0.000 1.154 301 A CA 0.509 52.491 52.037 -0.092 0.000 0.701 301 A CB -0.542 18.343 19.000 -0.193 0.000 0.789 301 A HN 0.395 nan 8.150 nan 0.000 0.465 302 F N -3.127 116.803 119.950 -0.033 0.000 2.678 302 F HA 0.261 4.789 4.527 0.002 0.000 0.305 302 F C 0.358 176.125 175.800 -0.056 0.000 1.090 302 F CA -0.404 57.568 58.000 -0.046 0.000 1.272 302 F CB 0.230 39.197 39.000 -0.056 0.000 1.060 302 F HN 0.246 nan 8.300 nan 0.000 0.576 303 Y N 1.900 122.175 120.300 -0.042 0.000 2.385 303 Y HA 0.466 5.017 4.550 0.002 0.000 0.341 303 Y C -0.531 175.356 175.900 -0.021 0.000 0.965 303 Y CA -0.411 57.648 58.100 -0.067 0.000 1.180 303 Y CB 0.267 38.663 38.460 -0.108 0.000 1.139 303 Y HN -0.041 nan 8.280 nan 0.000 0.502 304 D N 3.108 123.420 120.400 -0.147 0.000 2.742 304 D HA 0.077 4.718 4.640 0.002 0.000 0.262 304 D C -1.669 174.568 176.300 -0.106 0.000 1.240 304 D CA -0.599 53.367 54.000 -0.057 0.000 0.752 304 D CB 1.629 42.410 40.800 -0.033 0.000 1.290 304 D HN 0.480 nan 8.370 nan 0.000 0.420 305 D N 1.244 121.621 120.400 -0.039 0.000 2.571 305 D HA -0.111 4.530 4.640 0.002 0.000 0.231 305 D C 0.837 177.144 176.300 0.012 0.000 1.133 305 D CA 0.438 54.435 54.000 -0.004 0.000 0.862 305 D CB 0.352 41.161 40.800 0.016 0.000 1.179 305 D HN 0.398 nan 8.370 nan 0.000 0.474 306 Y N 2.191 122.456 120.300 -0.058 0.000 2.193 306 Y HA -0.283 4.269 4.550 0.002 0.000 0.285 306 Y C 2.241 178.122 175.900 -0.031 0.000 1.166 306 Y CA 2.167 60.242 58.100 -0.042 0.000 1.181 306 Y CB 0.165 38.604 38.460 -0.035 0.000 0.976 306 Y HN 0.559 nan 8.280 nan 0.000 0.520 307 E N -0.996 119.268 120.200 0.107 0.000 2.333 307 E HA -0.212 4.139 4.350 0.002 0.000 0.198 307 E C 1.020 177.587 176.600 -0.055 0.000 1.007 307 E CA 1.236 57.660 56.400 0.040 0.000 0.845 307 E CB -0.418 29.316 29.700 0.056 0.000 0.766 307 E HN 0.466 nan 8.360 nan 0.000 0.507 308 N N 0.850 119.501 118.700 -0.082 0.000 2.398 308 N HA 0.098 4.839 4.740 0.002 0.000 0.188 308 N C 0.349 175.782 175.510 -0.128 0.000 1.122 308 N CA 0.387 53.385 53.050 -0.087 0.000 0.866 308 N CB 0.255 38.704 38.487 -0.062 0.000 0.970 308 N HN 0.237 nan 8.380 nan 0.000 0.462 309 L N -0.601 120.499 121.223 -0.205 0.000 3.865 309 L HA -0.257 4.084 4.340 0.002 0.000 0.408 309 L C 0.631 177.411 176.870 -0.150 0.000 1.209 309 L CA 0.339 55.048 54.840 -0.219 0.000 0.940 309 L CB -1.120 40.848 42.059 -0.151 0.000 1.971 309 L HN 0.042 nan 8.230 nan 0.000 0.899 310 K N -0.737 119.580 120.400 -0.139 0.000 2.393 310 K HA 0.196 4.517 4.320 0.002 0.000 0.193 310 K C 0.936 177.580 176.600 0.073 0.000 1.026 310 K CA 0.278 56.509 56.287 -0.094 0.000 1.064 310 K CB -0.029 32.399 32.500 -0.120 0.000 0.833 310 K HN 0.320 nan 8.250 nan 0.000 0.521 311 T N 2.056 116.639 114.554 0.048 0.000 2.946 311 T HA -0.023 4.328 4.350 0.002 0.000 0.311 311 T C -0.152 174.791 174.700 0.406 0.000 1.063 311 T CA -0.063 62.152 62.100 0.191 0.000 1.139 311 T CB 0.187 69.087 68.868 0.054 0.000 0.994 311 T HN -0.001 nan 8.240 nan 0.000 0.547 312 F N 4.685 124.806 119.950 0.284 0.000 2.406 312 F HA 0.367 4.895 4.527 0.002 0.000 0.358 312 F C -0.235 175.683 175.800 0.197 0.000 1.161 312 F CA -2.081 56.055 58.000 0.226 0.000 1.185 312 F CB -0.312 38.619 39.000 -0.116 0.000 1.421 312 F HN 0.550 nan 8.300 nan 0.000 0.576 313 F N 6.839 126.630 119.950 -0.264 0.000 2.626 313 F HA 0.352 4.880 4.527 0.002 0.000 0.353 313 F C -0.888 174.418 175.800 -0.824 0.000 1.230 313 F CA 0.011 57.779 58.000 -0.387 0.000 1.298 313 F CB -0.718 38.114 39.000 -0.280 0.000 1.670 313 F HN 0.499 nan 8.300 nan 0.000 0.633 314 H N 1.087 119.733 119.070 -0.707 0.000 3.008 314 H HA 0.834 5.391 4.556 0.002 0.000 0.354 314 H C 0.041 175.185 175.328 -0.306 0.000 1.252 314 H CA -0.547 55.097 56.048 -0.673 0.000 1.117 314 H CB 1.912 31.142 29.762 -0.888 0.000 1.857 314 H HN 0.514 nan 8.280 nan 0.000 0.547 315 G N -0.095 108.614 108.800 -0.151 0.000 2.362 315 G HA2 0.193 4.154 3.960 0.002 0.000 0.288 315 G HA3 0.193 4.154 3.960 0.002 0.000 0.288 315 G C -2.098 172.526 174.900 -0.459 0.000 1.305 315 G CA -0.900 44.192 45.100 -0.013 0.000 0.910 315 G HN 0.636 nan 8.290 nan 0.000 0.518 316 H N -0.983 118.107 119.070 0.035 0.000 2.980 316 H HA 0.506 5.063 4.556 0.002 0.000 0.367 316 H C 1.372 176.683 175.328 -0.027 0.000 1.206 316 H CA 0.032 56.087 56.048 0.011 0.000 1.126 316 H CB 1.972 31.771 29.762 0.062 0.000 1.838 316 H HN 0.749 nan 8.280 nan 0.000 0.552 317 S N 0.506 116.237 115.700 0.051 0.000 2.402 317 S HA -0.143 4.328 4.470 0.002 0.000 0.229 317 S C 1.034 175.512 174.600 -0.204 0.000 1.021 317 S CA 1.033 59.161 58.200 -0.121 0.000 0.974 317 S CB -0.247 62.814 63.200 -0.232 0.000 0.800 317 S HN 0.549 nan 8.310 nan 0.000 0.484 318 Y N 2.530 122.820 120.300 -0.017 0.000 2.470 318 Y HA 0.328 4.879 4.550 0.002 0.000 0.284 318 Y C 0.823 176.759 175.900 0.060 0.000 1.188 318 Y CA -0.539 57.487 58.100 -0.123 0.000 1.269 318 Y CB -0.698 37.632 38.460 -0.217 0.000 1.094 318 Y HN 0.117 nan 8.280 nan 0.000 0.518 319 T N 0.764 115.425 114.554 0.178 0.000 2.866 319 T HA 0.223 4.574 4.350 0.002 0.000 0.293 319 T C 1.217 175.937 174.700 0.033 0.000 1.005 319 T CA 1.350 63.516 62.100 0.109 0.000 1.162 319 T CB -0.061 68.829 68.868 0.038 0.000 0.968 319 T HN 0.721 nan 8.240 nan 0.000 0.530 320 G N 3.623 112.334 108.800 -0.150 0.000 2.143 320 G HA2 -0.304 3.657 3.960 0.002 0.000 0.248 320 G HA3 -0.304 3.657 3.960 0.002 0.000 0.248 320 G C 0.143 174.908 174.900 -0.225 0.000 0.991 320 G CA 0.050 44.864 45.100 -0.477 0.000 0.689 320 G HN 0.970 nan 8.290 nan 0.000 0.522 321 N N -0.034 118.679 118.700 0.022 0.000 2.217 321 N HA 0.156 4.897 4.740 0.002 0.000 0.268 321 N C 1.605 177.131 175.510 0.028 0.000 1.290 321 N CA 0.974 54.156 53.050 0.219 0.000 0.831 321 N CB 0.374 38.987 38.487 0.210 0.000 1.057 321 N HN 0.485 nan 8.380 nan 0.000 0.481 322 Q N 2.380 122.199 119.800 0.032 0.000 2.050 322 Q HA -0.079 4.262 4.340 0.002 0.000 0.202 322 Q C 1.424 177.417 176.000 -0.011 0.000 0.980 322 Q CA 1.216 57.000 55.803 -0.032 0.000 0.840 322 Q CB -0.135 28.582 28.738 -0.035 0.000 0.898 322 Q HN 0.634 nan 8.270 nan 0.000 0.424 323 L N -0.313 120.924 121.223 0.024 0.000 2.042 323 L HA -0.121 4.220 4.340 0.002 0.000 0.210 323 L C 2.162 179.036 176.870 0.008 0.000 1.076 323 L CA 2.277 57.129 54.840 0.019 0.000 0.749 323 L CB -1.392 40.685 42.059 0.029 0.000 0.893 323 L HN 0.355 nan 8.230 nan 0.000 0.432 324 G N -2.285 106.515 108.800 -0.001 0.000 2.403 324 G HA2 -0.204 3.757 3.960 0.002 0.000 0.216 324 G HA3 -0.204 3.757 3.960 0.002 0.000 0.216 324 G C 1.672 176.552 174.900 -0.032 0.000 1.154 324 G CA 0.844 45.938 45.100 -0.010 0.000 0.784 324 G HN 0.462 nan 8.290 nan 0.000 0.538 325 C N 0.812 120.073 119.300 -0.065 0.000 2.450 325 C HA 0.275 4.737 4.460 0.002 0.000 0.279 325 C C 3.480 178.445 174.990 -0.042 0.000 1.335 325 C CA 0.626 59.597 59.018 -0.080 0.000 1.749 325 C CB -0.744 26.897 27.740 -0.165 0.000 1.963 325 C HN 0.556 nan 8.230 nan 0.000 0.501 326 A N -0.261 122.537 122.820 -0.037 0.000 1.873 326 A HA -0.123 4.198 4.320 0.002 0.000 0.215 326 A C 2.341 179.903 177.584 -0.037 0.000 1.186 326 A CA 1.894 53.914 52.037 -0.029 0.000 0.616 326 A CB -0.892 18.096 19.000 -0.021 0.000 0.823 326 A HN 0.346 nan 8.150 nan 0.000 0.442 327 V N -0.335 119.554 119.914 -0.041 0.000 2.548 327 V HA -0.100 4.021 4.120 0.002 0.000 0.249 327 V C 2.787 178.828 176.094 -0.088 0.000 1.055 327 V CA 1.891 64.142 62.300 -0.081 0.000 1.065 327 V CB -0.540 31.238 31.823 -0.075 0.000 0.681 327 V HN 0.593 nan 8.190 nan 0.000 0.462 328 A N -0.501 122.283 122.820 -0.060 0.000 1.898 328 A HA -0.122 4.199 4.320 0.002 0.000 0.216 328 A C 2.127 179.689 177.584 -0.036 0.000 1.181 328 A CA 1.807 53.803 52.037 -0.068 0.000 0.620 328 A CB -0.525 18.444 19.000 -0.052 0.000 0.819 328 A HN 0.527 nan 8.150 nan 0.000 0.442 329 L N -0.825 120.389 121.223 -0.015 0.000 2.083 329 L HA -0.199 4.142 4.340 0.002 0.000 0.209 329 L C 2.659 179.529 176.870 -0.001 0.000 1.083 329 L CA 1.748 56.591 54.840 0.005 0.000 0.752 329 L CB -0.280 41.782 42.059 0.005 0.000 0.899 329 L HN 0.443 nan 8.230 nan 0.000 0.433 330 E N 0.214 120.396 120.200 -0.029 0.000 2.158 330 E HA -0.203 4.149 4.350 0.002 0.000 0.191 330 E C 1.791 178.368 176.600 -0.038 0.000 0.982 330 E CA 1.072 57.444 56.400 -0.047 0.000 0.823 330 E CB -0.133 29.515 29.700 -0.086 0.000 0.766 330 E HN 0.323 nan 8.360 nan 0.000 0.468 331 N N -0.057 118.632 118.700 -0.018 0.000 2.069 331 N HA -0.145 4.596 4.740 0.002 0.000 0.191 331 N C 1.679 177.369 175.510 0.299 0.000 1.031 331 N CA 1.691 54.817 53.050 0.126 0.000 0.852 331 N CB -0.265 38.279 38.487 0.095 0.000 1.018 331 N HN 0.253 nan 8.380 nan 0.000 0.423 332 L N -0.447 120.863 121.223 0.144 0.000 2.156 332 L HA 0.028 4.369 4.340 0.002 0.000 0.208 332 L C 2.450 179.427 176.870 0.178 0.000 1.095 332 L CA 0.855 55.782 54.840 0.145 0.000 0.770 332 L CB -0.598 41.493 42.059 0.052 0.000 0.914 332 L HN 0.245 nan 8.230 nan 0.000 0.439 333 A N 0.556 123.439 122.820 0.105 0.000 1.883 333 A HA -0.195 4.126 4.320 0.002 0.000 0.217 333 A C 2.236 179.865 177.584 0.076 0.000 1.186 333 A CA 1.527 53.605 52.037 0.069 0.000 0.624 333 A CB -0.748 18.264 19.000 0.020 0.000 0.822 333 A HN 0.355 nan 8.150 nan 0.000 0.444 334 L N -2.198 119.056 121.223 0.052 0.000 2.131 334 L HA -0.165 4.176 4.340 0.002 0.000 0.210 334 L C 2.464 179.377 176.870 0.072 0.000 1.092 334 L CA 1.108 55.934 54.840 -0.023 0.000 0.759 334 L CB -0.514 41.373 42.059 -0.287 0.000 0.903 334 L HN 0.397 nan 8.230 nan 0.000 0.435 335 F N 0.479 120.475 119.950 0.077 0.000 2.126 335 F HA -0.264 4.264 4.527 0.001 0.000 0.299 335 F C 2.622 178.440 175.800 0.029 0.000 1.096 335 F CA 1.692 59.736 58.000 0.074 0.000 1.255 335 F CB -0.055 38.985 39.000 0.067 0.000 0.997 335 F HN 0.071 nan 8.300 nan 0.000 0.479 336 E N 0.228 120.551 120.200 0.205 0.000 2.015 336 E HA -0.178 4.173 4.350 0.002 0.000 0.191 336 E C 2.244 178.878 176.600 0.057 0.000 0.991 336 E CA 1.774 58.239 56.400 0.109 0.000 0.802 336 E CB -0.306 29.444 29.700 0.084 0.000 0.759 336 E HN 0.215 nan 8.360 nan 0.000 0.447 337 S N -0.712 115.011 115.700 0.038 0.000 2.561 337 S HA 0.001 4.472 4.470 0.002 0.000 0.225 337 S C 1.030 175.627 174.600 -0.004 0.000 0.977 337 S CA 0.687 58.893 58.200 0.010 0.000 0.926 337 S CB -0.062 63.137 63.200 -0.001 0.000 0.769 337 S HN 0.277 nan 8.310 nan 0.000 0.533 338 E N 1.868 122.062 120.200 -0.011 0.000 2.693 338 E HA 0.135 4.486 4.350 0.002 0.000 0.214 338 E C -0.744 175.833 176.600 -0.038 0.000 0.990 338 E CA -0.409 55.974 56.400 -0.029 0.000 1.047 338 E CB 0.158 29.831 29.700 -0.045 0.000 1.039 338 E HN 0.656 nan 8.360 nan 0.000 0.475 339 N N 2.529 121.220 118.700 -0.015 0.000 3.054 339 N HA -0.229 4.512 4.740 0.002 0.000 0.305 339 N C 0.892 176.361 175.510 -0.068 0.000 1.084 339 N CA 0.262 53.304 53.050 -0.014 0.000 0.842 339 N CB -0.187 38.301 38.487 0.002 0.000 0.953 339 N HN 0.224 nan 8.380 nan 0.000 0.625 340 I N 0.571 121.052 120.570 -0.149 0.000 2.145 340 I HA -0.286 3.885 4.170 0.002 0.000 0.244 340 I C 2.397 178.397 176.117 -0.195 0.000 1.075 340 I CA 1.086 62.221 61.300 -0.276 0.000 1.332 340 I CB -1.007 36.570 38.000 -0.705 0.000 1.033 340 I HN 0.299 nan 8.210 nan 0.000 0.410 341 V N 0.682 120.554 119.914 -0.070 0.000 2.343 341 V HA -0.214 3.908 4.120 0.002 0.000 0.247 341 V C 2.596 178.635 176.094 -0.093 0.000 1.051 341 V CA 1.651 63.919 62.300 -0.052 0.000 1.036 341 V CB -0.533 31.299 31.823 0.016 0.000 0.654 341 V HN 0.364 nan 8.190 nan 0.000 0.451 342 E N -0.143 120.017 120.200 -0.066 0.000 2.072 342 E HA -0.201 4.150 4.350 0.002 0.000 0.191 342 E C 2.293 178.850 176.600 -0.071 0.000 0.985 342 E CA 1.085 57.451 56.400 -0.057 0.000 0.801 342 E CB -0.280 29.400 29.700 -0.033 0.000 0.750 342 E HN 0.686 nan 8.360 nan 0.000 0.452 343 Q N 0.317 120.063 119.800 -0.089 0.000 2.096 343 Q HA -0.115 4.226 4.340 0.002 0.000 0.204 343 Q C 2.386 178.294 176.000 -0.153 0.000 0.982 343 Q CA 1.390 57.139 55.803 -0.090 0.000 0.850 343 Q CB -0.126 28.558 28.738 -0.089 0.000 0.901 343 Q HN 0.104 nan 8.270 nan 0.000 0.422 344 V N 1.084 120.816 119.914 -0.305 0.000 2.287 344 V HA -0.310 3.811 4.120 0.002 0.000 0.248 344 V C 2.316 178.245 176.094 -0.275 0.000 1.053 344 V CA 1.936 63.884 62.300 -0.587 0.000 1.027 344 V CB -1.048 30.339 31.823 -0.727 0.000 0.646 344 V HN 0.423 nan 8.190 nan 0.000 0.447 345 A N -0.864 121.865 122.820 -0.152 0.000 1.908 345 A HA -0.223 4.098 4.320 0.002 0.000 0.218 345 A C 2.250 179.828 177.584 -0.010 0.000 1.181 345 A CA 1.787 53.791 52.037 -0.055 0.000 0.627 345 A CB -0.428 18.548 19.000 -0.041 0.000 0.818 345 A HN 0.514 nan 8.150 nan 0.000 0.445 346 E N 0.246 120.440 120.200 -0.010 0.000 2.015 346 E HA -0.151 4.200 4.350 0.002 0.000 0.191 346 E C 2.005 178.648 176.600 0.073 0.000 0.991 346 E CA 1.415 57.831 56.400 0.027 0.000 0.802 346 E CB -0.345 29.368 29.700 0.022 0.000 0.759 346 E HN 0.675 nan 8.360 nan 0.000 0.447 347 K N 0.442 120.905 120.400 0.105 0.000 2.211 347 K HA -0.046 4.276 4.320 0.002 0.000 0.204 347 K C 2.219 178.968 176.600 0.250 0.000 1.047 347 K CA 1.065 57.473 56.287 0.201 0.000 0.935 347 K CB -0.102 32.590 32.500 0.320 0.000 0.728 347 K HN -0.082 nan 8.250 nan 0.000 0.452 348 S N 1.232 117.084 115.700 0.254 0.000 2.419 348 S HA -0.120 4.351 4.470 0.002 0.000 0.233 348 S C 1.520 176.167 174.600 0.078 0.000 1.016 348 S CA 1.206 59.540 58.200 0.224 0.000 0.974 348 S CB -0.047 63.260 63.200 0.178 0.000 0.786 348 S HN 0.316 nan 8.310 nan 0.000 0.492 349 K N 1.297 121.717 120.400 0.035 0.000 2.002 349 K HA -0.105 4.216 4.320 0.002 0.000 0.209 349 K C 2.202 178.727 176.600 -0.125 0.000 1.048 349 K CA 1.340 57.586 56.287 -0.069 0.000 0.930 349 K CB -0.171 32.334 32.500 0.008 0.000 0.714 349 K HN 0.060 nan 8.250 nan 0.000 0.438 350 K N 1.860 122.311 120.400 0.085 0.000 2.097 350 K HA -0.037 4.284 4.320 0.002 0.000 0.205 350 K C 1.903 178.582 176.600 0.131 0.000 1.050 350 K CA 0.935 57.355 56.287 0.223 0.000 0.938 350 K CB -0.444 32.186 32.500 0.216 0.000 0.718 350 K HN 0.095 nan 8.250 nan 0.000 0.442 351 L N 0.752 122.026 121.223 0.084 0.000 2.043 351 L HA -0.273 4.068 4.340 0.002 0.000 0.212 351 L C 2.569 179.457 176.870 0.031 0.000 1.075 351 L CA 2.177 57.054 54.840 0.061 0.000 0.752 351 L CB -0.594 41.501 42.059 0.060 0.000 0.891 351 L HN 0.575 nan 8.230 nan 0.000 0.432 352 H N -0.559 118.429 119.070 -0.138 0.000 2.352 352 H HA -0.248 4.307 4.556 -0.002 0.000 0.299 352 H C 2.159 177.388 175.328 -0.165 0.000 1.097 352 H CA 2.296 58.218 56.048 -0.210 0.000 1.311 352 H CB -0.080 29.459 29.762 -0.373 0.000 1.377 352 H HN 0.313 nan 8.280 nan 0.000 0.504 353 F N 0.915 120.846 119.950 -0.032 0.000 2.113 353 F HA -0.136 4.389 4.527 -0.003 0.000 0.297 353 F C 2.869 178.604 175.800 -0.107 0.000 1.103 353 F CA 0.680 58.620 58.000 -0.099 0.000 1.248 353 F CB -0.888 38.112 39.000 0.001 0.000 0.999 353 F HN 0.084 nan 8.300 nan 0.000 0.475 354 L N -0.489 120.796 121.223 0.103 0.000 2.079 354 L HA -0.243 4.098 4.340 0.002 0.000 0.210 354 L C 2.377 179.225 176.870 -0.037 0.000 1.081 354 L CA 1.185 56.038 54.840 0.022 0.000 0.752 354 L CB -0.830 41.230 42.059 0.001 0.000 0.896 354 L HN 0.188 nan 8.230 nan 0.000 0.433 355 L N -1.101 120.083 121.223 -0.066 0.000 2.109 355 L HA -0.166 4.175 4.340 0.002 0.000 0.207 355 L C 2.732 179.562 176.870 -0.068 0.000 1.086 355 L CA 0.663 55.453 54.840 -0.084 0.000 0.760 355 L CB -0.523 41.492 42.059 -0.073 0.000 0.910 355 L HN 0.286 nan 8.230 nan 0.000 0.437 356 Q N -0.156 119.575 119.800 -0.115 0.000 2.226 356 Q HA -0.228 4.113 4.340 0.002 0.000 0.204 356 Q C 1.673 177.688 176.000 0.025 0.000 0.975 356 Q CA 1.603 57.383 55.803 -0.038 0.000 0.866 356 Q CB -0.422 28.242 28.738 -0.123 0.000 0.915 356 Q HN 0.514 nan 8.270 nan 0.000 0.440 357 D N 0.102 120.505 120.400 0.004 0.000 2.097 357 D HA -0.128 4.514 4.640 0.002 0.000 0.195 357 D C 1.903 178.209 176.300 0.009 0.000 0.989 357 D CA 0.676 54.678 54.000 0.003 0.000 0.827 357 D CB -0.102 40.695 40.800 -0.005 0.000 0.966 357 D HN 0.167 nan 8.370 nan 0.000 0.456 358 L N -0.044 121.179 121.223 -0.001 0.000 2.079 358 L HA -0.226 4.115 4.340 0.002 0.000 0.210 358 L C 2.340 179.246 176.870 0.059 0.000 1.081 358 L CA 1.406 56.246 54.840 0.000 0.000 0.752 358 L CB -0.497 41.534 42.059 -0.046 0.000 0.896 358 L HN 0.336 nan 8.230 nan 0.000 0.433 359 H N -0.007 119.032 119.070 -0.051 0.000 2.489 359 H HA -0.114 4.447 4.556 0.008 0.000 0.295 359 H C 1.880 177.189 175.328 -0.032 0.000 1.082 359 H CA 1.155 57.176 56.048 -0.046 0.000 1.295 359 H CB 0.164 29.892 29.762 -0.057 0.000 1.380 359 H HN 0.423 nan 8.280 nan 0.000 0.548 360 A N 0.356 123.223 122.820 0.079 0.000 2.169 360 A HA 0.130 4.451 4.320 0.002 0.000 0.212 360 A C 1.316 178.905 177.584 0.008 0.000 1.153 360 A CA -0.262 51.775 52.037 -0.000 0.000 0.756 360 A CB -0.328 18.656 19.000 -0.027 0.000 0.813 360 A HN 0.280 nan 8.150 nan 0.000 0.471 361 L N -0.153 121.092 121.223 0.036 0.000 2.506 361 L HA 0.038 4.379 4.340 0.002 0.000 0.281 361 L C -1.276 175.610 176.870 0.027 0.000 1.228 361 L CA -1.180 53.681 54.840 0.036 0.000 0.850 361 L CB 0.437 42.541 42.059 0.075 0.000 1.110 361 L HN 0.098 nan 8.230 nan 0.000 0.496 362 P HA -0.156 nan 4.420 nan 0.000 0.218 362 P C 0.730 177.875 177.300 -0.258 0.000 1.148 362 P CA 1.474 64.486 63.100 -0.146 0.000 0.822 362 P CB 0.124 31.716 31.700 -0.179 0.000 0.784 363 H N -2.331 116.804 119.070 0.108 0.000 2.592 363 H HA 0.256 4.814 4.556 0.004 0.000 0.279 363 H C -0.153 175.251 175.328 0.126 0.000 1.089 363 H CA -0.096 56.035 56.048 0.138 0.000 1.150 363 H CB 0.611 30.509 29.762 0.228 0.000 1.575 363 H HN -0.058 nan 8.280 nan 0.000 0.547 364 V N 1.593 121.606 119.914 0.166 0.000 2.353 364 V HA 0.175 4.296 4.120 0.002 0.000 0.264 364 V C 1.446 177.610 176.094 0.116 0.000 1.049 364 V CA 0.063 62.429 62.300 0.111 0.000 0.896 364 V CB 1.158 33.026 31.823 0.075 0.000 1.025 364 V HN 0.441 nan 8.190 nan 0.000 0.475 365 G N 3.484 112.330 108.800 0.077 0.000 2.426 365 G HA2 0.013 3.974 3.960 0.002 0.000 0.214 365 G HA3 0.013 3.974 3.960 0.002 0.000 0.214 365 G C 0.158 174.979 174.900 -0.131 0.000 1.156 365 G CA 0.386 45.559 45.100 0.121 0.000 0.802 365 G HN 0.633 nan 8.290 nan 0.000 0.534 366 D N -1.195 118.906 120.400 -0.497 0.000 2.753 366 D HA 0.436 5.077 4.640 0.002 0.000 0.224 366 D C -1.293 174.589 176.300 -0.696 0.000 1.213 366 D CA -0.646 52.866 54.000 -0.814 0.000 0.833 366 D CB 1.761 41.791 40.800 -1.284 0.000 1.607 366 D HN -0.198 nan 8.370 nan 0.000 0.463 367 I N 2.859 122.980 120.570 -0.748 0.000 2.433 367 I HA 0.455 4.626 4.170 0.002 0.000 0.292 367 I C -0.087 175.909 176.117 -0.201 0.000 1.001 367 I CA -0.535 60.520 61.300 -0.408 0.000 1.119 367 I CB 1.526 39.306 38.000 -0.367 0.000 1.289 367 I HN 0.365 nan 8.210 nan 0.000 0.438 368 R N 4.815 125.242 120.500 -0.121 0.000 2.686 368 R HA 0.661 5.002 4.340 0.002 0.000 0.286 368 R C -0.913 175.367 176.300 -0.033 0.000 0.969 368 R CA -0.840 55.222 56.100 -0.063 0.000 0.898 368 R CB 3.048 33.308 30.300 -0.066 0.000 1.183 368 R HN 0.583 nan 8.270 nan 0.000 0.456 369 Q N 2.682 122.472 119.800 -0.017 0.000 2.327 369 Q HA 0.367 4.708 4.340 0.002 0.000 0.265 369 Q C -2.105 173.874 176.000 -0.035 0.000 0.993 369 Q CA -0.795 55.005 55.803 -0.005 0.000 0.885 369 Q CB 2.096 30.864 28.738 0.049 0.000 1.379 369 Q HN 0.441 nan 8.270 nan 0.000 0.408 370 L N 4.345 125.540 121.223 -0.046 0.000 2.446 370 L HA 0.709 5.050 4.340 0.002 0.000 0.268 370 L C 0.326 177.190 176.870 -0.009 0.000 0.975 370 L CA 1.210 56.005 54.840 -0.075 0.000 0.848 370 L CB 1.385 43.354 42.059 -0.149 0.000 1.225 370 L HN 0.899 nan 8.230 nan 0.000 0.410 371 G N 3.950 112.771 108.800 0.035 0.000 2.591 371 G HA2 -0.369 3.592 3.960 0.002 0.000 0.298 371 G HA3 -0.369 3.592 3.960 0.002 0.000 0.298 371 G C 0.343 175.417 174.900 0.290 0.000 1.195 371 G CA 0.638 45.803 45.100 0.107 0.000 0.989 371 G HN 0.446 nan 8.290 nan 0.000 0.551 372 F N 1.227 121.129 119.950 -0.079 0.000 2.660 372 F HA 0.557 5.085 4.527 0.001 0.000 0.297 372 F C 1.338 177.024 175.800 -0.191 0.000 1.132 372 F CA 0.103 58.019 58.000 -0.141 0.000 1.372 372 F CB 0.030 38.940 39.000 -0.150 0.000 1.003 372 F HN 0.234 nan 8.300 nan 0.000 0.524 373 M N 0.722 120.331 119.600 0.014 0.000 2.036 373 M HA 0.399 4.880 4.480 0.002 0.000 0.337 373 M C -1.358 174.884 176.300 -0.097 0.000 1.012 373 M CA 0.191 55.426 55.300 -0.108 0.000 0.962 373 M CB 0.134 32.659 32.600 -0.126 0.000 1.423 373 M HN 0.038 nan 8.290 nan 0.000 0.405 374 C N 2.183 121.423 119.300 -0.100 0.000 2.889 374 C HA 1.021 5.482 4.460 0.002 0.000 0.307 374 C C 0.251 175.238 174.990 -0.005 0.000 1.251 374 C CA -0.910 58.098 59.018 -0.015 0.000 1.593 374 C CB 1.615 29.418 27.740 0.105 0.000 2.104 374 C HN 0.950 nan 8.230 nan 0.000 0.476 375 G N -0.115 108.681 108.800 -0.007 0.000 2.746 375 G HA2 0.737 4.698 3.960 0.002 0.000 0.297 375 G HA3 0.737 4.698 3.960 0.002 0.000 0.297 375 G C -1.502 173.374 174.900 -0.040 0.000 1.426 375 G CA -0.257 44.839 45.100 -0.006 0.000 0.989 375 G HN 1.244 nan 8.290 nan 0.000 0.520 376 A N 1.239 124.040 122.820 -0.032 0.000 2.273 376 A HA 0.723 5.044 4.320 0.002 0.000 0.315 376 A C -0.079 177.479 177.584 -0.044 0.000 1.256 376 A CA -0.573 51.418 52.037 -0.077 0.000 0.851 376 A CB 0.974 19.933 19.000 -0.068 0.000 1.172 376 A HN 0.672 nan 8.150 nan 0.000 0.508 377 E N 3.309 123.458 120.200 -0.084 0.000 2.223 377 E HA 0.422 4.773 4.350 0.002 0.000 0.282 377 E C -0.937 175.689 176.600 0.043 0.000 1.046 377 E CA -0.299 56.098 56.400 -0.005 0.000 0.857 377 E CB 0.439 30.132 29.700 -0.011 0.000 1.055 377 E HN 0.661 nan 8.360 nan 0.000 0.409 378 L N 5.256 126.549 121.223 0.116 0.000 2.312 378 L HA 0.458 4.799 4.340 0.002 0.000 0.281 378 L C -0.101 176.914 176.870 0.242 0.000 1.070 378 L CA -0.896 54.057 54.840 0.188 0.000 0.805 378 L CB 1.026 43.205 42.059 0.200 0.000 1.174 378 L HN 0.403 nan 8.230 nan 0.000 0.434 379 V N 0.543 120.606 119.914 0.247 0.000 3.040 379 V HA 0.513 4.634 4.120 0.002 0.000 0.312 379 V C 0.541 176.610 176.094 -0.041 0.000 1.115 379 V CA -0.951 61.425 62.300 0.125 0.000 0.998 379 V CB 1.932 33.836 31.823 0.134 0.000 1.042 379 V HN 0.832 nan 8.190 nan 0.000 0.433 380 R N 1.563 121.764 120.500 -0.497 0.000 2.119 380 R HA 0.235 4.576 4.340 0.002 0.000 0.222 380 R C 0.879 177.108 176.300 -0.117 0.000 1.088 380 R CA 1.419 57.069 56.100 -0.749 0.000 0.984 380 R CB -0.047 29.631 30.300 -1.038 0.000 0.884 380 R HN 0.918 nan 8.270 nan 0.000 0.447 381 S N -0.469 115.175 115.700 -0.094 0.000 2.647 381 S HA 0.309 4.780 4.470 0.002 0.000 0.300 381 S C -0.049 174.540 174.600 -0.018 0.000 1.129 381 S CA -0.970 57.198 58.200 -0.054 0.000 1.029 381 S CB 1.742 64.911 63.200 -0.052 0.000 1.007 381 S HN 0.305 nan 8.310 nan 0.000 0.484 382 K N 2.282 122.668 120.400 -0.022 0.000 2.063 382 K HA -0.057 4.264 4.320 0.002 0.000 0.208 382 K C 1.248 177.871 176.600 0.039 0.000 1.048 382 K CA 1.654 57.957 56.287 0.026 0.000 0.928 382 K CB 0.060 32.557 32.500 -0.004 0.000 0.713 382 K HN 0.585 nan 8.250 nan 0.000 0.442 383 E N -1.161 119.040 120.200 0.001 0.000 2.603 383 E HA 0.080 4.431 4.350 0.002 0.000 0.211 383 E C 0.423 177.005 176.600 -0.030 0.000 0.995 383 E CA 0.193 56.588 56.400 -0.007 0.000 0.990 383 E CB 0.394 30.089 29.700 -0.009 0.000 1.036 383 E HN 0.107 nan 8.360 nan 0.000 0.475 384 T N 1.214 115.748 114.554 -0.034 0.000 3.014 384 T HA -0.089 4.262 4.350 0.002 0.000 0.263 384 T C 0.525 175.183 174.700 -0.070 0.000 1.078 384 T CA 0.752 62.822 62.100 -0.050 0.000 1.135 384 T CB -0.179 68.662 68.868 -0.046 0.000 0.895 384 T HN 0.341 nan 8.240 nan 0.000 0.480 385 K N 1.874 122.249 120.400 -0.042 0.000 2.948 385 K HA -0.259 4.062 4.320 0.002 0.000 0.253 385 K C -0.199 176.376 176.600 -0.041 0.000 0.970 385 K CA 0.689 56.960 56.287 -0.025 0.000 0.716 385 K CB -2.028 30.385 32.500 -0.146 0.000 1.249 385 K HN 0.612 nan 8.250 nan 0.000 0.483 386 E N 2.104 122.275 120.200 -0.048 0.000 2.299 386 E HA 0.110 4.461 4.350 0.002 0.000 0.272 386 E C -1.957 174.606 176.600 -0.062 0.000 1.043 386 E CA -1.928 54.440 56.400 -0.054 0.000 0.895 386 E CB 0.769 30.432 29.700 -0.062 0.000 1.011 386 E HN 0.128 nan 8.360 nan 0.000 0.432 387 P HA 0.009 nan 4.420 nan 0.000 0.274 387 P C -0.845 176.438 177.300 -0.028 0.000 1.231 387 P CA -0.015 63.094 63.100 0.015 0.000 0.790 387 P CB 0.341 32.092 31.700 0.084 0.000 0.951 388 Y N 1.122 121.461 120.300 0.066 0.000 2.683 388 Y HA 0.039 4.590 4.550 0.002 0.000 0.340 388 Y C -1.128 174.796 175.900 0.041 0.000 1.245 388 Y CA -0.947 57.179 58.100 0.043 0.000 1.485 388 Y CB -1.052 37.423 38.460 0.025 0.000 1.328 388 Y HN 0.334 nan 8.280 nan 0.000 0.603 389 P HA -0.040 nan 4.420 nan 0.000 0.266 389 P C -0.196 177.180 177.300 0.127 0.000 1.195 389 P CA 0.409 63.586 63.100 0.128 0.000 0.768 389 P CB 0.832 32.593 31.700 0.102 0.000 0.838 390 A N 3.285 126.162 122.820 0.096 0.000 1.972 390 A HA -0.202 4.119 4.320 0.002 0.000 0.219 390 A C 1.600 179.222 177.584 0.064 0.000 1.169 390 A CA 1.962 54.049 52.037 0.084 0.000 0.635 390 A CB -1.109 17.933 19.000 0.070 0.000 0.810 390 A HN 0.655 nan 8.150 nan 0.000 0.446 391 D N -1.059 119.374 120.400 0.055 0.000 2.363 391 D HA -0.089 4.552 4.640 0.002 0.000 0.226 391 D C 1.481 177.800 176.300 0.031 0.000 1.020 391 D CA 0.292 54.315 54.000 0.037 0.000 0.892 391 D CB -0.344 40.475 40.800 0.032 0.000 0.900 391 D HN 0.258 nan 8.370 nan 0.000 0.531 392 R N 0.450 120.971 120.500 0.035 0.000 2.236 392 R HA 0.118 4.459 4.340 0.002 0.000 0.208 392 R C 0.584 176.879 176.300 -0.008 0.000 1.036 392 R CA -0.006 56.094 56.100 -0.001 0.000 1.001 392 R CB -0.424 29.857 30.300 -0.031 0.000 0.896 392 R HN 0.160 nan 8.270 nan 0.000 0.464 393 R N 0.508 121.024 120.500 0.027 0.000 3.525 393 R HA -0.156 4.185 4.340 0.002 0.000 0.276 393 R C 0.883 177.216 176.300 0.054 0.000 1.116 393 R CA 0.421 56.560 56.100 0.065 0.000 0.745 393 R CB -1.765 28.593 30.300 0.096 0.000 1.185 393 R HN 0.176 nan 8.270 nan 0.000 0.454 394 I N -0.910 119.651 120.570 -0.014 0.000 2.179 394 I HA -0.170 4.001 4.170 0.002 0.000 0.242 394 I C 2.656 178.767 176.117 -0.010 0.000 1.088 394 I CA 2.179 63.427 61.300 -0.087 0.000 1.357 394 I CB -1.394 36.487 38.000 -0.198 0.000 1.051 394 I HN 0.427 nan 8.210 nan 0.000 0.409 395 G N -0.217 108.616 108.800 0.056 0.000 2.446 395 G HA2 -0.345 3.616 3.960 0.002 0.000 0.217 395 G HA3 -0.345 3.616 3.960 0.002 0.000 0.217 395 G C 1.781 176.742 174.900 0.102 0.000 1.168 395 G CA 0.880 46.028 45.100 0.081 0.000 0.771 395 G HN 0.339 nan 8.290 nan 0.000 0.551 396 Y N 1.569 121.873 120.300 0.006 0.000 2.128 396 Y HA -0.108 4.443 4.550 0.002 0.000 0.284 396 Y C 2.870 178.761 175.900 -0.016 0.000 1.154 396 Y CA 2.102 60.204 58.100 0.004 0.000 1.149 396 Y CB -0.283 38.184 38.460 0.010 0.000 0.976 396 Y HN 0.156 nan 8.280 nan 0.000 0.505 397 K N -0.766 119.603 120.400 -0.052 0.000 2.032 397 K HA -0.177 4.144 4.320 0.002 0.000 0.209 397 K C 2.023 178.527 176.600 -0.161 0.000 1.048 397 K CA 1.844 58.045 56.287 -0.144 0.000 0.927 397 K CB -0.560 31.891 32.500 -0.081 0.000 0.712 397 K HN 0.187 nan 8.250 nan 0.000 0.441 398 V N 1.611 121.459 119.914 -0.109 0.000 2.332 398 V HA -0.292 3.829 4.120 0.002 0.000 0.248 398 V C 2.519 178.546 176.094 -0.112 0.000 1.055 398 V CA 2.242 64.484 62.300 -0.096 0.000 1.038 398 V CB -0.642 31.147 31.823 -0.056 0.000 0.651 398 V HN 0.487 nan 8.190 nan 0.000 0.450 399 S N -0.084 115.541 115.700 -0.126 0.000 2.382 399 S HA -0.179 4.292 4.470 0.002 0.000 0.228 399 S C 1.920 176.401 174.600 -0.199 0.000 1.027 399 S CA 1.443 59.559 58.200 -0.141 0.000 0.991 399 S CB -0.534 62.605 63.200 -0.102 0.000 0.823 399 S HN 0.345 nan 8.310 nan 0.000 0.469 400 L N 1.760 122.801 121.223 -0.304 0.000 2.056 400 L HA 0.147 4.488 4.340 0.002 0.000 0.207 400 L C 2.709 179.488 176.870 -0.153 0.000 1.078 400 L CA 1.814 56.491 54.840 -0.272 0.000 0.749 400 L CB -0.910 40.923 42.059 -0.378 0.000 0.901 400 L HN 0.338 nan 8.230 nan 0.000 0.433 401 K N -0.597 119.720 120.400 -0.139 0.000 2.057 401 K HA -0.164 4.158 4.320 0.002 0.000 0.207 401 K C 2.083 178.644 176.600 -0.065 0.000 1.049 401 K CA 1.529 57.758 56.287 -0.097 0.000 0.931 401 K CB -0.140 32.297 32.500 -0.105 0.000 0.714 401 K HN 0.160 nan 8.250 nan 0.000 0.440 402 M N -0.360 119.200 119.600 -0.067 0.000 2.149 402 M HA -0.169 4.312 4.480 0.002 0.000 0.261 402 M C 2.335 178.647 176.300 0.019 0.000 1.064 402 M CA 1.600 56.881 55.300 -0.031 0.000 1.102 402 M CB -0.209 32.363 32.600 -0.047 0.000 1.369 402 M HN 0.100 nan 8.290 nan 0.000 0.408 403 R N 0.854 121.354 120.500 0.001 0.000 2.073 403 R HA -0.193 4.149 4.340 0.002 0.000 0.234 403 R C 2.138 178.539 176.300 0.167 0.000 1.134 403 R CA 2.071 58.226 56.100 0.092 0.000 0.952 403 R CB -0.190 30.100 30.300 -0.015 0.000 0.850 403 R HN 0.595 nan 8.270 nan 0.000 0.433 404 E N -0.277 119.955 120.200 0.054 0.000 2.150 404 E HA -0.179 4.172 4.350 0.002 0.000 0.193 404 E C 1.258 177.862 176.600 0.006 0.000 0.985 404 E CA 0.799 57.217 56.400 0.029 0.000 0.814 404 E CB -0.162 29.532 29.700 -0.010 0.000 0.752 404 E HN 0.173 nan 8.360 nan 0.000 0.466 405 L N 0.806 122.036 121.223 0.010 0.000 2.622 405 L HA 0.166 4.507 4.340 0.002 0.000 0.233 405 L C 1.236 178.123 176.870 0.029 0.000 1.156 405 L CA 1.447 56.292 54.840 0.008 0.000 0.866 405 L CB -0.576 41.486 42.059 0.004 0.000 0.980 405 L HN 0.486 nan 8.230 nan 0.000 0.448 406 G N 0.162 108.984 108.800 0.036 0.000 2.204 406 G HA2 -0.285 3.676 3.960 0.002 0.000 0.244 406 G HA3 -0.285 3.676 3.960 0.002 0.000 0.244 406 G C 0.097 175.113 174.900 0.194 0.000 1.062 406 G CA 0.451 45.546 45.100 -0.008 0.000 0.798 406 G HN 0.314 nan 8.290 nan 0.000 0.496 407 M N 0.102 119.867 119.600 0.274 0.000 2.284 407 M HA 0.609 5.090 4.480 0.002 0.000 0.281 407 M C -1.226 175.127 176.300 0.089 0.000 1.083 407 M CA -0.871 54.578 55.300 0.249 0.000 0.965 407 M CB 1.359 34.081 32.600 0.204 0.000 1.717 407 M HN 0.061 nan 8.290 nan 0.000 0.479 408 L N 3.498 124.713 121.223 -0.014 0.000 2.289 408 L HA 0.739 5.080 4.340 0.002 0.000 0.285 408 L C -0.016 176.477 176.870 -0.628 0.000 1.049 408 L CA -0.331 54.293 54.840 -0.361 0.000 0.804 408 L CB 1.676 43.471 42.059 -0.439 0.000 1.195 408 L HN 0.815 nan 8.230 nan 0.000 0.428 409 T N 2.375 116.521 114.554 -0.680 0.000 2.731 409 T HA 0.420 4.771 4.350 0.002 0.000 0.300 409 T C -1.399 173.110 174.700 -0.319 0.000 1.283 409 T CA -0.690 61.014 62.100 -0.661 0.000 1.005 409 T CB 2.124 70.947 68.868 -0.075 0.000 1.420 409 T HN 0.629 nan 8.240 nan 0.000 0.503 410 R N 1.642 122.237 120.500 0.158 0.000 2.494 410 R HA 0.600 4.941 4.340 0.002 0.000 0.305 410 R C -2.602 173.838 176.300 0.234 0.000 0.959 410 R CA -2.125 54.132 56.100 0.261 0.000 0.864 410 R CB 1.733 32.282 30.300 0.416 0.000 1.159 410 R HN 0.402 nan 8.270 nan 0.000 0.446 411 P HA 0.148 nan 4.420 nan 0.000 0.281 411 P C -1.067 176.331 177.300 0.163 0.000 1.249 411 P CA -0.557 62.637 63.100 0.156 0.000 0.810 411 P CB 0.960 32.741 31.700 0.135 0.000 1.008 412 L N 2.551 123.861 121.223 0.146 0.000 2.335 412 L HA 0.381 4.722 4.340 0.002 0.000 0.268 412 L C 1.410 178.343 176.870 0.105 0.000 1.037 412 L CA 0.422 55.338 54.840 0.127 0.000 0.895 412 L CB -0.363 41.774 42.059 0.130 0.000 1.266 412 L HN 0.873 nan 8.230 nan 0.000 0.439 413 G N 3.402 112.263 108.800 0.102 0.000 2.629 413 G HA2 -0.353 3.608 3.960 0.002 0.000 0.313 413 G HA3 -0.353 3.608 3.960 0.002 0.000 0.313 413 G C 0.496 175.463 174.900 0.112 0.000 1.217 413 G CA 0.497 45.658 45.100 0.102 0.000 0.994 413 G HN 0.471 nan 8.290 nan 0.000 0.549 414 D N 0.662 121.134 120.400 0.119 0.000 2.427 414 D HA 0.392 5.033 4.640 0.002 0.000 0.224 414 D C 0.425 176.794 176.300 0.114 0.000 1.157 414 D CA 0.118 54.192 54.000 0.124 0.000 0.828 414 D CB 0.594 41.491 40.800 0.161 0.000 0.974 414 D HN 0.308 nan 8.370 nan 0.000 0.498 415 V N 2.358 122.334 119.914 0.102 0.000 2.383 415 V HA 0.157 4.278 4.120 0.002 0.000 0.275 415 V C 0.306 176.449 176.094 0.082 0.000 1.036 415 V CA -0.698 61.651 62.300 0.080 0.000 0.889 415 V CB 1.629 33.491 31.823 0.065 0.000 0.985 415 V HN 0.008 nan 8.190 nan 0.000 0.459 416 I N 4.882 125.491 120.570 0.064 0.000 2.347 416 I HA 0.319 4.490 4.170 0.002 0.000 0.294 416 I C 0.922 177.095 176.117 0.094 0.000 1.090 416 I CA -0.103 61.239 61.300 0.071 0.000 1.314 416 I CB 0.494 38.514 38.000 0.034 0.000 1.423 416 I HN 0.669 nan 8.210 nan 0.000 0.503 417 A N 7.190 130.097 122.820 0.144 0.000 2.462 417 A HA 0.361 4.682 4.320 0.002 0.000 0.243 417 A C -0.671 177.062 177.584 0.249 0.000 1.076 417 A CA 0.060 52.198 52.037 0.168 0.000 0.773 417 A CB 0.082 19.233 19.000 0.252 0.000 1.010 417 A HN 0.519 nan 8.150 nan 0.000 0.493 418 F N 2.826 122.777 119.950 0.001 0.000 2.553 418 F HA 0.595 5.123 4.527 0.001 0.000 0.335 418 F C -1.354 174.432 175.800 -0.023 0.000 1.148 418 F CA -1.253 56.745 58.000 -0.004 0.000 0.963 418 F CB 1.427 40.394 39.000 -0.055 0.000 1.217 418 F HN 0.258 nan 8.300 nan 0.000 0.441 419 L N 8.832 129.880 121.223 -0.293 0.000 2.480 419 L HA 0.414 4.755 4.340 0.002 0.000 0.253 419 L C -2.401 174.313 176.870 -0.259 0.000 1.324 419 L CA -1.428 53.225 54.840 -0.311 0.000 0.916 419 L CB 1.318 43.279 42.059 -0.165 0.000 1.160 419 L HN 0.328 nan 8.230 nan 0.000 0.503 420 P HA 0.283 nan 4.420 nan 0.000 0.274 420 P C -2.650 174.636 177.300 -0.024 0.000 1.231 420 P CA -1.665 61.241 63.100 -0.323 0.000 0.790 420 P CB 0.109 31.444 31.700 -0.609 0.000 0.951 421 P HA 0.025 nan 4.420 nan 0.000 0.267 421 P C 1.023 178.437 177.300 0.190 0.000 1.200 421 P CA 0.006 63.172 63.100 0.109 0.000 0.772 421 P CB 0.172 31.928 31.700 0.093 0.000 0.855 422 L N 2.427 123.701 121.223 0.085 0.000 2.275 422 L HA -0.096 4.245 4.340 0.002 0.000 0.215 422 L C 2.097 178.972 176.870 0.007 0.000 1.119 422 L CA 1.567 56.405 54.840 -0.003 0.000 0.790 422 L CB -1.885 40.030 42.059 -0.240 0.000 0.919 422 L HN 0.406 nan 8.230 nan 0.000 0.443 423 A N -1.887 120.947 122.820 0.023 0.000 2.238 423 A HA 0.089 4.410 4.320 0.002 0.000 0.208 423 A C 1.306 178.967 177.584 0.128 0.000 1.177 423 A CA -0.012 52.058 52.037 0.055 0.000 0.804 423 A CB -0.446 18.590 19.000 0.061 0.000 0.823 423 A HN 0.292 nan 8.150 nan 0.000 0.482 424 S N 1.752 117.568 115.700 0.193 0.000 2.563 424 S HA 0.260 4.731 4.470 0.002 0.000 0.294 424 S C 0.880 175.578 174.600 0.163 0.000 1.279 424 S CA 0.458 58.757 58.200 0.165 0.000 1.069 424 S CB 0.301 63.561 63.200 0.099 0.000 0.828 424 S HN 0.704 nan 8.310 nan 0.000 0.497 425 T N 0.313 114.939 114.554 0.121 0.000 2.788 425 T HA 0.519 4.870 4.350 0.002 0.000 0.287 425 T C 1.497 176.252 174.700 0.092 0.000 1.007 425 T CA -0.448 61.715 62.100 0.106 0.000 1.005 425 T CB 0.800 69.721 68.868 0.089 0.000 1.012 425 T HN 0.542 nan 8.240 nan 0.000 0.530 426 A N 0.777 123.651 122.820 0.089 0.000 1.908 426 A HA -0.085 4.237 4.320 0.002 0.000 0.218 426 A C 2.189 179.803 177.584 0.049 0.000 1.181 426 A CA 1.824 53.906 52.037 0.076 0.000 0.627 426 A CB -1.085 17.962 19.000 0.079 0.000 0.818 426 A HN 0.915 nan 8.150 nan 0.000 0.445 427 E N 0.103 120.333 120.200 0.050 0.000 2.077 427 E HA -0.147 4.204 4.350 0.002 0.000 0.193 427 E C 1.927 178.541 176.600 0.022 0.000 0.989 427 E CA 1.554 57.978 56.400 0.039 0.000 0.800 427 E CB -0.289 29.442 29.700 0.052 0.000 0.746 427 E HN 0.773 nan 8.360 nan 0.000 0.452 428 E N 0.186 120.408 120.200 0.037 0.000 2.072 428 E HA -0.125 4.226 4.350 0.002 0.000 0.191 428 E C 2.059 178.601 176.600 -0.097 0.000 0.985 428 E CA 0.666 57.063 56.400 -0.006 0.000 0.801 428 E CB -0.114 29.637 29.700 0.086 0.000 0.750 428 E HN 0.189 nan 8.360 nan 0.000 0.452 429 L N 0.892 122.096 121.223 -0.031 0.000 2.042 429 L HA -0.226 4.115 4.340 0.002 0.000 0.210 429 L C 2.742 179.574 176.870 -0.063 0.000 1.076 429 L CA 1.497 56.325 54.840 -0.019 0.000 0.749 429 L CB -0.612 41.432 42.059 -0.025 0.000 0.893 429 L HN 0.233 nan 8.230 nan 0.000 0.432 430 S N -0.575 115.093 115.700 -0.053 0.000 2.383 430 S HA -0.195 4.277 4.470 0.002 0.000 0.227 430 S C 1.718 176.250 174.600 -0.112 0.000 1.026 430 S CA 1.184 59.346 58.200 -0.064 0.000 0.981 430 S CB -0.284 62.904 63.200 -0.021 0.000 0.818 430 S HN 0.469 nan 8.310 nan 0.000 0.472 431 E N 0.881 120.999 120.200 -0.138 0.000 2.072 431 E HA -0.030 4.321 4.350 0.002 0.000 0.191 431 E C 2.193 178.607 176.600 -0.311 0.000 0.985 431 E CA 1.543 57.833 56.400 -0.183 0.000 0.801 431 E CB -0.270 29.334 29.700 -0.160 0.000 0.750 431 E HN 0.592 nan 8.360 nan 0.000 0.452 432 M N 0.145 119.486 119.600 -0.431 0.000 2.200 432 M HA -0.109 4.372 4.480 0.002 0.000 0.265 432 M C 2.293 178.347 176.300 -0.410 0.000 1.066 432 M CA 0.859 55.907 55.300 -0.420 0.000 1.127 432 M CB 0.093 32.532 32.600 -0.269 0.000 1.379 432 M HN 0.018 nan 8.290 nan 0.000 0.420 433 V N 0.399 120.058 119.914 -0.425 0.000 2.515 433 V HA -0.204 3.917 4.120 0.002 0.000 0.250 433 V C 2.604 178.549 176.094 -0.248 0.000 1.058 433 V CA 1.871 63.911 62.300 -0.434 0.000 1.064 433 V CB -1.140 30.482 31.823 -0.335 0.000 0.675 433 V HN 0.488 nan 8.190 nan 0.000 0.461 434 A N -0.103 122.612 122.820 -0.174 0.000 1.930 434 A HA -0.117 4.204 4.320 0.002 0.000 0.217 434 A C 2.176 179.714 177.584 -0.077 0.000 1.175 434 A CA 1.567 53.546 52.037 -0.097 0.000 0.627 434 A CB -0.462 18.500 19.000 -0.063 0.000 0.815 434 A HN 0.494 nan 8.150 nan 0.000 0.443 435 I N -0.978 119.536 120.570 -0.094 0.000 2.226 435 I HA -0.271 3.900 4.170 0.002 0.000 0.245 435 I C 2.694 178.766 176.117 -0.075 0.000 1.100 435 I CA 1.797 63.063 61.300 -0.056 0.000 1.374 435 I CB -0.206 37.781 38.000 -0.022 0.000 1.057 435 I HN 0.483 nan 8.210 nan 0.000 0.413 436 M N 0.827 120.346 119.600 -0.135 0.000 2.132 436 M HA -0.249 4.233 4.480 0.002 0.000 0.263 436 M C 2.350 178.599 176.300 -0.085 0.000 1.065 436 M CA 1.818 57.035 55.300 -0.138 0.000 1.122 436 M CB -0.115 32.333 32.600 -0.255 0.000 1.365 436 M HN -0.001 nan 8.290 nan 0.000 0.411 437 K N -0.100 120.255 120.400 -0.075 0.000 2.032 437 K HA -0.276 4.045 4.320 0.002 0.000 0.209 437 K C 2.116 178.761 176.600 0.075 0.000 1.048 437 K CA 2.119 58.403 56.287 -0.005 0.000 0.927 437 K CB -0.298 32.196 32.500 -0.010 0.000 0.712 437 K HN 0.551 nan 8.250 nan 0.000 0.441 438 Q N -0.148 119.684 119.800 0.053 0.000 2.050 438 Q HA -0.164 4.177 4.340 0.002 0.000 0.202 438 Q C 1.923 177.871 176.000 -0.086 0.000 0.980 438 Q CA 1.548 57.391 55.803 0.068 0.000 0.840 438 Q CB -0.197 28.555 28.738 0.025 0.000 0.898 438 Q HN 0.432 nan 8.270 nan 0.000 0.424 439 A N 0.851 123.627 122.820 -0.074 0.000 1.877 439 A HA -0.185 4.136 4.320 0.002 0.000 0.216 439 A C 2.011 179.532 177.584 -0.106 0.000 1.186 439 A CA 1.460 53.435 52.037 -0.102 0.000 0.620 439 A CB -0.731 18.223 19.000 -0.076 0.000 0.822 439 A HN 0.489 nan 8.150 nan 0.000 0.443 440 I N -0.485 120.056 120.570 -0.047 0.000 2.163 440 I HA -0.329 3.843 4.170 0.002 0.000 0.243 440 I C 2.551 178.686 176.117 0.030 0.000 1.085 440 I CA 2.017 63.316 61.300 -0.002 0.000 1.347 440 I CB -0.508 37.516 38.000 0.040 0.000 1.044 440 I HN 0.764 nan 8.210 nan 0.000 0.408 441 H N 0.110 119.190 119.070 0.017 0.000 2.395 441 H HA -0.027 4.531 4.556 0.003 0.000 0.299 441 H C 1.895 177.233 175.328 0.017 0.000 1.070 441 H CA 1.206 57.278 56.048 0.040 0.000 1.356 441 H CB -0.412 29.375 29.762 0.041 0.000 1.401 441 H HN 0.302 nan 8.280 nan 0.000 0.524 442 E N 0.421 120.221 120.200 -0.668 0.000 2.085 442 E HA -0.134 4.217 4.350 0.002 0.000 0.194 442 E C 2.222 178.701 176.600 -0.203 0.000 0.994 442 E CA 1.458 57.583 56.400 -0.458 0.000 0.801 442 E CB 0.087 29.550 29.700 -0.395 0.000 0.743 442 E HN 0.391 nan 8.360 nan 0.000 0.453 443 V N 0.190 120.006 119.914 -0.165 0.000 2.302 443 V HA -0.171 3.950 4.120 0.002 0.000 0.243 443 V C 2.345 178.351 176.094 -0.146 0.000 1.036 443 V CA 1.874 64.090 62.300 -0.139 0.000 1.020 443 V CB -0.365 31.376 31.823 -0.138 0.000 0.657 443 V HN 0.270 nan 8.190 nan 0.000 0.453 444 T N 0.212 114.687 114.554 -0.131 0.000 2.995 444 T HA -0.108 4.243 4.350 0.002 0.000 0.269 444 T C 1.963 176.591 174.700 -0.119 0.000 1.091 444 T CA 1.506 63.487 62.100 -0.199 0.000 1.128 444 T CB -0.245 68.560 68.868 -0.105 0.000 0.891 444 T HN 0.705 nan 8.240 nan 0.000 0.492 445 S N 0.784 116.496 115.700 0.020 0.000 2.507 445 S HA 0.101 4.572 4.470 0.002 0.000 0.235 445 S C 1.557 176.178 174.600 0.035 0.000 0.988 445 S CA 0.506 58.762 58.200 0.093 0.000 0.944 445 S CB -0.457 62.831 63.200 0.147 0.000 0.762 445 S HN 0.526 nan 8.310 nan 0.000 0.526 446 L N 0.401 121.607 121.223 -0.029 0.000 2.667 446 L HA 0.368 4.709 4.340 0.002 0.000 0.232 446 L C 1.337 178.179 176.870 -0.046 0.000 1.138 446 L CA 0.095 54.917 54.840 -0.030 0.000 0.921 446 L CB -0.035 41.997 42.059 -0.045 0.000 1.180 446 L HN 0.206 nan 8.230 nan 0.000 0.487 447 E N 0.227 120.382 120.200 -0.075 0.000 2.501 447 E HA 0.178 4.529 4.350 0.002 0.000 0.200 447 E C -0.501 176.135 176.600 0.061 0.000 1.016 447 E CA 0.167 56.514 56.400 -0.089 0.000 0.921 447 E CB 0.779 30.267 29.700 -0.353 0.000 1.034 447 E HN 0.474 nan 8.360 nan 0.000 0.468 448 D N 0.000 120.451 120.400 0.085 0.000 6.856 448 D HA 0.000 4.641 4.640 0.002 0.000 0.175 448 D CA 0.000 54.075 54.000 0.125 0.000 0.868 448 D CB 0.000 40.905 40.800 0.175 0.000 0.688 448 D HN 0.000 nan 8.370 nan 0.000 0.683