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 2xi2_1_C DATA FIRST_RESID 1 DATA SEQUENCE SMSYSWTGAL VTPCAAEEQK LPINALSNSL LRHHNLVYST TSRSACQRQK DATA SEQUENCE KVTFDRLQVL DSHYHDVLKE VKAAASKVKA NLLSVEEACS LTPPHSAKSK DATA SEQUENCE FGYGAKDVRC HARKAVAHIN SVWKDLLEDS VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKMALYDVVS KLPLAVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVQAWKS KKTPMGFSYD TRCFDSTVTE SDIRTEEAIY QCCDLDPQAR DATA SEQUENCE VAIKSLTERL YVGGPLTNSR GENCGYRRCR ASGVLTTSCG NTLTCYIKAR DATA SEQUENCE AACRAAGLQD CTMLVCGDDL VVICESAGVQ EDAASLRAFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDGAGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMFAPTLW ARMILMTHFF SVLIARDQLE QALNCEIYGA DATA SEQUENCE CYSIEPLDLP PIIQRLHGLS AFSLHSYSPG EINRVAACLR KLGVPPLRAW DATA SEQUENCE RHRARSVRAR LLSRGGRAAI CGKYLFNWAV RTKLKLTPIA AAGRLXLSGW DATA SEQUENCE FTAGYSGGDI YH 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.569 174.600 -0.052 0.000 1.055 1 S CA 0.000 58.176 58.200 -0.039 0.000 1.107 1 S CB 0.000 63.175 63.200 -0.041 0.000 0.593 2 M N 3.281 122.843 119.600 -0.064 0.000 2.228 2 M HA 0.215 4.695 4.480 -0.001 0.000 0.351 2 M C 1.967 178.149 176.300 -0.196 0.000 1.233 2 M CA 0.144 55.390 55.300 -0.090 0.000 1.129 2 M CB 0.431 32.994 32.600 -0.062 0.000 1.604 2 M HN 0.772 nan 8.290 nan 0.000 0.457 3 S N 2.654 118.174 115.700 -0.301 0.000 2.383 3 S HA -0.110 4.359 4.470 -0.001 0.000 0.229 3 S C 0.160 174.322 174.600 -0.731 0.000 1.030 3 S CA 1.029 58.923 58.200 -0.510 0.000 1.002 3 S CB -0.246 62.570 63.200 -0.641 0.000 0.829 3 S HN 0.652 nan 8.310 nan 0.000 0.467 4 Y N 0.772 120.874 120.300 -0.330 0.000 2.562 4 Y HA 0.587 5.137 4.550 -0.001 0.000 0.345 4 Y C -0.199 175.352 175.900 -0.581 0.000 1.045 4 Y CA -0.915 56.848 58.100 -0.561 0.000 1.028 4 Y CB 2.058 39.934 38.460 -0.973 0.000 1.297 4 Y HN 0.205 nan 8.280 nan 0.000 0.463 5 S N -0.003 115.432 115.700 -0.443 0.000 2.513 5 S HA 0.760 5.230 4.470 -0.001 0.000 0.299 5 S C -1.565 172.773 174.600 -0.437 0.000 1.087 5 S CA -0.795 57.207 58.200 -0.330 0.000 1.012 5 S CB 1.162 64.290 63.200 -0.120 0.000 1.044 5 S HN 0.612 nan 8.310 nan 0.000 0.485 6 W N 0.538 121.890 121.300 0.087 0.000 2.761 6 W HA 0.482 5.142 4.660 -0.001 0.000 0.340 6 W C 1.298 177.844 176.519 0.045 0.000 1.072 6 W CA -0.609 56.772 57.345 0.059 0.000 1.215 6 W CB 2.205 31.683 29.460 0.030 0.000 1.420 6 W HN 0.866 nan 8.180 nan 0.000 0.519 7 T N -2.412 112.325 114.554 0.305 0.000 3.051 7 T HA 0.325 4.675 4.350 -0.001 0.000 0.255 7 T C 1.412 176.195 174.700 0.139 0.000 1.085 7 T CA 0.850 63.055 62.100 0.174 0.000 1.109 7 T CB 0.129 69.078 68.868 0.135 0.000 0.921 7 T HN 1.181 nan 8.240 nan 0.000 0.488 8 G N 1.311 110.199 108.800 0.147 0.000 2.253 8 G HA2 0.034 3.994 3.960 -0.001 0.000 0.209 8 G HA3 0.034 3.994 3.960 -0.001 0.000 0.209 8 G C 0.394 175.311 174.900 0.029 0.000 0.997 8 G CA -0.149 44.989 45.100 0.064 0.000 0.640 8 G HN 1.099 nan 8.290 nan 0.000 0.496 9 A N 0.837 123.688 122.820 0.052 0.000 2.520 9 A HA 0.599 4.918 4.320 -0.001 0.000 0.235 9 A C 0.787 178.366 177.584 -0.008 0.000 1.065 9 A CA 0.377 52.431 52.037 0.028 0.000 0.764 9 A CB 0.150 19.178 19.000 0.047 0.000 1.002 9 A HN 0.918 nan 8.150 nan 0.000 0.502 10 L N 1.915 123.123 121.223 -0.025 0.000 2.399 10 L HA 0.292 4.632 4.340 -0.001 0.000 0.266 10 L C -0.005 176.837 176.870 -0.047 0.000 1.114 10 L CA -0.874 53.932 54.840 -0.058 0.000 0.804 10 L CB 1.063 43.094 42.059 -0.046 0.000 1.146 10 L HN 0.439 nan 8.230 nan 0.000 0.451 11 V N 1.066 120.933 119.914 -0.077 0.000 2.521 11 V HA 0.170 4.290 4.120 -0.001 0.000 0.286 11 V C 0.555 176.635 176.094 -0.024 0.000 1.034 11 V CA -0.207 62.066 62.300 -0.046 0.000 1.045 11 V CB 0.739 32.522 31.823 -0.066 0.000 0.974 11 V HN 0.932 nan 8.190 nan 0.000 0.480 12 T N 4.334 118.885 114.554 -0.005 0.000 2.912 12 T HA 0.684 5.034 4.350 -0.001 0.000 0.288 12 T C -2.807 171.902 174.700 0.016 0.000 1.030 12 T CA -2.242 59.859 62.100 0.003 0.000 1.020 12 T CB 2.248 71.117 68.868 0.002 0.000 1.056 12 T HN 0.457 nan 8.240 nan 0.000 0.480 13 P HA 0.280 nan 4.420 nan 0.000 0.276 13 P C 0.766 178.083 177.300 0.029 0.000 1.244 13 P CA -0.773 62.344 63.100 0.029 0.000 0.801 13 P CB 0.574 32.291 31.700 0.029 0.000 1.006 14 C N -0.432 118.889 119.300 0.035 0.000 2.906 14 C HA 0.815 5.274 4.460 -0.001 0.000 0.274 14 C C 0.577 175.583 174.990 0.027 0.000 1.257 14 C CA -0.083 58.954 59.018 0.031 0.000 1.695 14 C CB -1.281 26.485 27.740 0.042 0.000 1.958 14 C HN 0.707 nan 8.230 nan 0.000 0.619 15 A N 0.048 122.886 122.820 0.030 0.000 2.544 15 A HA 0.742 5.062 4.320 -0.001 0.000 0.291 15 A C -0.405 177.202 177.584 0.038 0.000 1.055 15 A CA 0.012 52.068 52.037 0.031 0.000 0.651 15 A CB -0.406 18.614 19.000 0.032 0.000 1.296 15 A HN 1.580 nan 8.150 nan 0.000 0.431 16 A N 0.363 123.208 122.820 0.042 0.000 2.567 16 A HA 0.479 4.798 4.320 -0.001 0.000 0.240 16 A C 0.086 177.709 177.584 0.066 0.000 1.053 16 A CA 0.741 52.809 52.037 0.051 0.000 0.755 16 A CB -0.414 18.616 19.000 0.051 0.000 0.978 16 A HN 0.610 nan 8.150 nan 0.000 0.507 17 E N 1.265 121.509 120.200 0.073 0.000 2.171 17 E HA 0.369 4.718 4.350 -0.001 0.000 0.271 17 E C -0.666 176.012 176.600 0.130 0.000 0.916 17 E CA -0.492 55.964 56.400 0.093 0.000 0.774 17 E CB 1.900 31.644 29.700 0.073 0.000 1.128 17 E HN 0.760 nan 8.360 nan 0.000 0.403 18 E N 2.249 122.568 120.200 0.199 0.000 2.175 18 E HA 0.073 4.423 4.350 -0.001 0.000 0.278 18 E C 0.141 176.951 176.600 0.349 0.000 0.969 18 E CA -0.009 56.546 56.400 0.259 0.000 0.796 18 E CB 0.912 30.789 29.700 0.295 0.000 1.104 18 E HN 0.495 nan 8.360 nan 0.000 0.395 19 Q N 2.571 122.543 119.800 0.286 0.000 2.204 19 Q HA 0.051 4.391 4.340 -0.001 0.000 0.198 19 Q C -0.121 176.148 176.000 0.448 0.000 0.946 19 Q CA 0.782 56.773 55.803 0.314 0.000 0.859 19 Q CB 0.326 29.187 28.738 0.205 0.000 0.946 19 Q HN 0.314 nan 8.270 nan 0.000 0.474 20 K N 1.196 121.799 120.400 0.339 0.000 2.130 20 K HA 0.235 4.554 4.320 -0.001 0.000 0.268 20 K C -0.770 175.826 176.600 -0.006 0.000 0.983 20 K CA -0.783 55.651 56.287 0.245 0.000 0.893 20 K CB 1.381 33.962 32.500 0.135 0.000 1.066 20 K HN -0.072 nan 8.250 nan 0.000 0.450 21 L N 4.806 125.991 121.223 -0.064 0.000 2.615 21 L HA 0.070 4.409 4.340 -0.001 0.000 0.271 21 L C -2.405 174.162 176.870 -0.505 0.000 1.183 21 L CA -0.968 53.538 54.840 -0.556 0.000 0.933 21 L CB -0.331 41.680 42.059 -0.079 0.000 1.199 21 L HN 0.419 nan 8.230 nan 0.000 0.487 22 P HA 0.119 nan 4.420 nan 0.000 0.269 22 P C -0.677 176.430 177.300 -0.322 0.000 1.215 22 P CA -0.179 62.665 63.100 -0.426 0.000 0.780 22 P CB 0.399 31.843 31.700 -0.427 0.000 0.898 23 I N 2.972 123.391 120.570 -0.252 0.000 2.395 23 I HA 0.285 4.454 4.170 -0.001 0.000 0.289 23 I C 0.577 176.599 176.117 -0.157 0.000 1.023 23 I CA 0.248 61.406 61.300 -0.237 0.000 1.350 23 I CB -0.156 37.701 38.000 -0.239 0.000 1.409 23 I HN 0.474 nan 8.210 nan 0.000 0.507 24 N N 4.186 122.810 118.700 -0.127 0.000 2.521 24 N HA 0.238 4.978 4.740 -0.001 0.000 0.269 24 N C 0.150 175.629 175.510 -0.052 0.000 1.079 24 N CA -0.213 52.790 53.050 -0.078 0.000 0.980 24 N CB 2.138 40.584 38.487 -0.068 0.000 1.667 24 N HN 0.548 nan 8.380 nan 0.000 0.498 25 A N 3.719 126.516 122.820 -0.038 0.000 1.902 25 A HA -0.056 4.264 4.320 -0.001 0.000 0.217 25 A C 2.012 179.591 177.584 -0.009 0.000 1.181 25 A CA 1.139 53.160 52.037 -0.027 0.000 0.623 25 A CB -0.463 18.521 19.000 -0.026 0.000 0.818 25 A HN 0.677 nan 8.150 nan 0.000 0.443 26 L N -0.854 120.369 121.223 -0.001 0.000 2.093 26 L HA -0.144 4.195 4.340 -0.001 0.000 0.208 26 L C 2.910 179.835 176.870 0.091 0.000 1.085 26 L CA 1.441 56.300 54.840 0.031 0.000 0.755 26 L CB -0.472 41.585 42.059 -0.003 0.000 0.904 26 L HN 0.505 nan 8.230 nan 0.000 0.435 27 S N 0.155 115.881 115.700 0.043 0.000 2.356 27 S HA -0.232 4.238 4.470 -0.001 0.000 0.223 27 S C 1.901 176.504 174.600 0.005 0.000 1.032 27 S CA 1.650 59.869 58.200 0.031 0.000 1.005 27 S CB -0.379 62.813 63.200 -0.013 0.000 0.867 27 S HN 0.474 nan 8.310 nan 0.000 0.449 28 N N 0.603 119.303 118.700 -0.002 0.000 2.272 28 N HA -0.131 4.609 4.740 -0.001 0.000 0.185 28 N C 1.788 177.298 175.510 -0.000 0.000 1.014 28 N CA 1.673 54.725 53.050 0.004 0.000 0.870 28 N CB -0.264 38.220 38.487 -0.005 0.000 0.975 28 N HN 0.624 nan 8.380 nan 0.000 0.433 29 S N 0.170 115.875 115.700 0.008 0.000 2.447 29 S HA -0.107 4.363 4.470 -0.001 0.000 0.233 29 S C 1.933 176.538 174.600 0.008 0.000 1.006 29 S CA 0.417 58.611 58.200 -0.009 0.000 0.957 29 S CB -0.188 63.020 63.200 0.013 0.000 0.773 29 S HN 0.322 nan 8.310 nan 0.000 0.507 30 L N 0.309 121.521 121.223 -0.019 0.000 2.145 30 L HA 0.548 4.888 4.340 -0.001 0.000 0.201 30 L C 0.342 177.237 176.870 0.042 0.000 1.075 30 L CA 1.063 55.881 54.840 -0.037 0.000 0.773 30 L CB 0.013 41.714 42.059 -0.598 0.000 0.936 30 L HN 0.539 nan 8.230 nan 0.000 0.451 31 L N -0.751 120.468 121.223 -0.007 0.000 2.505 31 L HA 0.401 4.741 4.340 -0.001 0.000 0.266 31 L C 0.187 177.068 176.870 0.019 0.000 0.954 31 L CA -0.454 54.387 54.840 0.002 0.000 0.852 31 L CB 1.448 43.516 42.059 0.014 0.000 1.282 31 L HN 0.031 nan 8.230 nan 0.000 0.403 32 R N 1.679 122.165 120.500 -0.023 0.000 2.282 32 R HA 0.185 4.524 4.340 -0.001 0.000 0.195 32 R C 0.022 176.419 176.300 0.162 0.000 0.909 32 R CA 0.024 56.158 56.100 0.057 0.000 1.039 32 R CB 0.233 30.539 30.300 0.009 0.000 1.015 32 R HN 0.667 nan 8.270 nan 0.000 0.513 33 H N 1.989 121.077 119.070 0.030 0.000 2.768 33 H HA 0.039 4.594 4.556 -0.001 0.000 0.219 33 H C 1.182 176.476 175.328 -0.057 0.000 1.898 33 H CA -0.410 55.608 56.048 -0.050 0.000 1.313 33 H CB 0.064 29.813 29.762 -0.021 0.000 1.701 33 H HN 0.358 nan 8.280 nan 0.000 0.534 34 H N -0.030 119.125 119.070 0.141 0.000 2.456 34 H HA -0.090 4.466 4.556 -0.001 0.000 0.296 34 H C 0.861 176.252 175.328 0.105 0.000 1.079 34 H CA 0.584 56.687 56.048 0.092 0.000 1.322 34 H CB 0.189 29.972 29.762 0.034 0.000 1.388 34 H HN 0.408 nan 8.280 nan 0.000 0.538 35 N N 0.935 119.513 118.700 -0.203 0.000 2.512 35 N HA -0.012 4.727 4.740 -0.001 0.000 0.183 35 N C 1.832 177.381 175.510 0.065 0.000 1.073 35 N CA 0.331 53.363 53.050 -0.031 0.000 0.911 35 N CB 0.131 38.542 38.487 -0.126 0.000 0.964 35 N HN 0.456 nan 8.380 nan 0.000 0.447 36 L N 0.028 121.305 121.223 0.091 0.000 2.446 36 L HA 0.118 4.457 4.340 -0.001 0.000 0.219 36 L C 0.235 177.264 176.870 0.266 0.000 1.116 36 L CA 0.211 55.141 54.840 0.150 0.000 0.844 36 L CB 0.280 42.419 42.059 0.132 0.000 0.970 36 L HN -0.169 nan 8.230 nan 0.000 0.457 37 V N 0.344 120.424 119.914 0.276 0.000 2.394 37 V HA 0.280 4.399 4.120 -0.001 0.000 0.282 37 V C -0.588 175.780 176.094 0.456 0.000 1.031 37 V CA -0.621 61.872 62.300 0.322 0.000 0.881 37 V CB 0.860 32.847 31.823 0.272 0.000 0.982 37 V HN 0.188 nan 8.190 nan 0.000 0.451 38 Y N 2.039 122.523 120.300 0.308 0.000 2.609 38 Y HA 0.814 5.364 4.550 -0.001 0.000 0.342 38 Y C -0.353 175.659 175.900 0.186 0.000 1.058 38 Y CA -1.114 57.180 58.100 0.324 0.000 1.055 38 Y CB 1.895 40.483 38.460 0.214 0.000 1.292 38 Y HN 0.425 nan 8.280 nan 0.000 0.476 39 S N 1.358 117.157 115.700 0.166 0.000 2.475 39 S HA 0.512 4.982 4.470 -0.001 0.000 0.298 39 S C -0.392 174.296 174.600 0.147 0.000 1.119 39 S CA -0.313 57.770 58.200 -0.195 0.000 1.085 39 S CB 0.538 63.429 63.200 -0.515 0.000 1.028 39 S HN 1.020 nan 8.310 nan 0.000 0.489 40 T N 1.920 116.541 114.554 0.112 0.000 2.900 40 T HA 0.526 4.875 4.350 -0.001 0.000 0.307 40 T C 0.396 175.155 174.700 0.098 0.000 1.065 40 T CA -0.211 62.012 62.100 0.204 0.000 1.105 40 T CB 0.713 69.712 68.868 0.217 0.000 0.979 40 T HN 0.835 nan 8.240 nan 0.000 0.544 41 T N -2.261 112.354 114.554 0.101 0.000 2.812 41 T HA 0.472 4.822 4.350 -0.001 0.000 0.294 41 T C 1.317 176.046 174.700 0.048 0.000 1.159 41 T CA -0.247 61.892 62.100 0.066 0.000 1.008 41 T CB 1.162 70.076 68.868 0.075 0.000 1.289 41 T HN 0.784 nan 8.240 nan 0.000 0.514 42 S N -0.001 115.719 115.700 0.034 0.000 2.493 42 S HA -0.131 4.338 4.470 -0.001 0.000 0.243 42 S C 1.761 176.363 174.600 0.002 0.000 0.991 42 S CA 0.622 58.831 58.200 0.015 0.000 0.957 42 S CB -0.697 62.510 63.200 0.012 0.000 0.756 42 S HN 0.726 nan 8.310 nan 0.000 0.521 43 R N 1.450 121.959 120.500 0.015 0.000 2.152 43 R HA -0.016 4.323 4.340 -0.001 0.000 0.232 43 R C 2.059 178.354 176.300 -0.008 0.000 1.117 43 R CA 1.432 57.535 56.100 0.005 0.000 0.981 43 R CB -0.314 29.997 30.300 0.019 0.000 0.870 43 R HN 0.716 nan 8.270 nan 0.000 0.451 44 S N -1.128 114.572 115.700 -0.000 0.000 2.572 44 S HA 0.258 4.728 4.470 -0.001 0.000 0.228 44 S C 1.613 176.193 174.600 -0.034 0.000 0.963 44 S CA 0.086 58.279 58.200 -0.012 0.000 0.939 44 S CB 1.034 64.242 63.200 0.012 0.000 0.804 44 S HN 0.253 nan 8.310 nan 0.000 0.480 45 A N 1.031 123.822 122.820 -0.050 0.000 1.933 45 A HA -0.050 4.269 4.320 -0.001 0.000 0.218 45 A C 2.272 179.762 177.584 -0.158 0.000 1.175 45 A CA 1.453 53.437 52.037 -0.089 0.000 0.628 45 A CB -1.490 17.453 19.000 -0.094 0.000 0.814 45 A HN 0.694 nan 8.150 nan 0.000 0.444 46 C N -1.074 118.132 119.300 -0.157 0.000 2.413 46 C HA -0.147 4.313 4.460 -0.001 0.000 0.277 46 C C 2.825 177.719 174.990 -0.159 0.000 1.265 46 C CA 1.375 60.274 59.018 -0.199 0.000 1.752 46 C CB -1.271 26.381 27.740 -0.146 0.000 1.998 46 C HN 0.766 nan 8.230 nan 0.000 0.489 47 Q N 0.387 120.128 119.800 -0.097 0.000 2.079 47 Q HA -0.214 4.126 4.340 -0.001 0.000 0.200 47 Q C 2.414 178.384 176.000 -0.050 0.000 0.974 47 Q CA 1.451 57.218 55.803 -0.061 0.000 0.840 47 Q CB -0.121 28.595 28.738 -0.037 0.000 0.898 47 Q HN 0.501 nan 8.270 nan 0.000 0.430 48 R N 0.511 120.978 120.500 -0.056 0.000 2.075 48 R HA -0.124 4.215 4.340 -0.001 0.000 0.232 48 R C 2.054 178.322 176.300 -0.053 0.000 1.126 48 R CA 1.952 58.035 56.100 -0.029 0.000 0.963 48 R CB -0.252 30.036 30.300 -0.019 0.000 0.858 48 R HN 0.359 nan 8.270 nan 0.000 0.435 49 Q N 0.049 119.737 119.800 -0.185 0.000 2.096 49 Q HA -0.198 4.142 4.340 -0.001 0.000 0.204 49 Q C 1.961 177.912 176.000 -0.082 0.000 0.982 49 Q CA 2.143 57.760 55.803 -0.311 0.000 0.850 49 Q CB -0.113 28.111 28.738 -0.857 0.000 0.901 49 Q HN 0.341 nan 8.270 nan 0.000 0.422 50 K N 0.740 121.096 120.400 -0.072 0.000 2.032 50 K HA -0.182 4.137 4.320 -0.001 0.000 0.209 50 K C 2.074 178.756 176.600 0.137 0.000 1.048 50 K CA 1.239 57.550 56.287 0.040 0.000 0.927 50 K CB -0.124 32.382 32.500 0.009 0.000 0.712 50 K HN 0.038 nan 8.250 nan 0.000 0.441 51 K N 1.282 121.753 120.400 0.119 0.000 2.097 51 K HA -0.095 4.224 4.320 -0.001 0.000 0.205 51 K C 1.795 178.588 176.600 0.322 0.000 1.050 51 K CA 1.298 57.693 56.287 0.179 0.000 0.938 51 K CB 0.190 32.764 32.500 0.124 0.000 0.718 51 K HN 0.145 nan 8.250 nan 0.000 0.442 52 V N -1.217 118.864 119.914 0.279 0.000 3.623 52 V HA 0.103 4.222 4.120 -0.001 0.000 0.271 52 V C 0.194 176.411 176.094 0.205 0.000 1.248 52 V CA 0.180 62.672 62.300 0.319 0.000 1.156 52 V CB 0.011 31.989 31.823 0.257 0.000 0.870 52 V HN 0.001 nan 8.190 nan 0.000 0.453 53 T N 4.377 119.111 114.554 0.300 0.000 2.753 53 T HA 0.723 5.072 4.350 -0.001 0.000 0.297 53 T C -0.758 174.083 174.700 0.236 0.000 0.981 53 T CA -0.028 62.218 62.100 0.243 0.000 0.956 53 T CB 0.328 69.467 68.868 0.451 0.000 0.936 53 T HN 0.637 nan 8.240 nan 0.000 0.463 54 F N -0.142 119.900 119.950 0.154 0.000 2.770 54 F HA 0.615 5.142 4.527 -0.001 0.000 0.313 54 F C -1.200 174.628 175.800 0.047 0.000 1.154 54 F CA -1.729 56.325 58.000 0.089 0.000 0.923 54 F CB 0.586 39.632 39.000 0.077 0.000 1.301 54 F HN 0.232 nan 8.300 nan 0.000 0.449 55 D N 0.821 121.409 120.400 0.312 0.000 2.304 55 D HA 0.404 5.044 4.640 -0.001 0.000 0.250 55 D C -0.805 175.643 176.300 0.247 0.000 1.107 55 D CA -0.037 54.068 54.000 0.176 0.000 0.885 55 D CB 0.914 41.781 40.800 0.112 0.000 1.192 55 D HN 0.568 nan 8.370 nan 0.000 0.436 56 R N 2.766 123.347 120.500 0.135 0.000 2.229 56 R HA 0.453 4.792 4.340 -0.001 0.000 0.332 56 R C -0.728 175.605 176.300 0.056 0.000 0.989 56 R CA -0.441 55.734 56.100 0.126 0.000 0.842 56 R CB 0.841 31.183 30.300 0.069 0.000 1.119 56 R HN 0.396 nan 8.270 nan 0.000 0.456 57 L N 2.617 123.869 121.223 0.048 0.000 2.289 57 L HA 0.465 4.804 4.340 -0.001 0.000 0.285 57 L C -0.036 176.835 176.870 0.002 0.000 1.049 57 L CA -0.364 54.485 54.840 0.015 0.000 0.804 57 L CB 1.390 43.454 42.059 0.007 0.000 1.195 57 L HN 0.486 nan 8.230 nan 0.000 0.428 58 Q N 2.760 122.552 119.800 -0.012 0.000 2.271 58 Q HA 0.565 4.905 4.340 -0.001 0.000 0.268 58 Q C -1.904 174.076 176.000 -0.034 0.000 1.021 58 Q CA -0.517 55.271 55.803 -0.024 0.000 0.802 58 Q CB 2.735 31.444 28.738 -0.048 0.000 1.282 58 Q HN 0.441 nan 8.270 nan 0.000 0.431 59 V N 5.441 125.344 119.914 -0.019 0.000 2.443 59 V HA 0.450 4.569 4.120 -0.001 0.000 0.293 59 V C -0.499 175.600 176.094 0.009 0.000 1.021 59 V CA -0.627 61.664 62.300 -0.016 0.000 0.848 59 V CB 1.521 33.336 31.823 -0.013 0.000 0.998 59 V HN 0.731 nan 8.190 nan 0.000 0.424 60 L N 5.077 126.254 121.223 -0.076 0.000 2.322 60 L HA 0.708 5.048 4.340 -0.001 0.000 0.279 60 L C -0.131 176.736 176.870 -0.005 0.000 1.036 60 L CA -0.492 54.233 54.840 -0.192 0.000 0.807 60 L CB 1.608 43.292 42.059 -0.626 0.000 1.226 60 L HN 0.748 nan 8.230 nan 0.000 0.433 61 D N -0.328 120.128 120.400 0.094 0.000 2.689 61 D HA 0.208 4.848 4.640 -0.001 0.000 0.255 61 D C 0.779 177.174 176.300 0.157 0.000 1.113 61 D CA -0.275 53.809 54.000 0.141 0.000 1.115 61 D CB 0.839 41.733 40.800 0.156 0.000 1.334 61 D HN 0.402 nan 8.370 nan 0.000 0.621 62 S N -1.356 114.399 115.700 0.092 0.000 2.423 62 S HA -0.192 4.278 4.470 -0.001 0.000 0.231 62 S C 1.554 176.176 174.600 0.035 0.000 1.014 62 S CA 0.762 59.000 58.200 0.063 0.000 0.965 62 S CB -0.802 62.364 63.200 -0.057 0.000 0.785 62 S HN 0.475 nan 8.310 nan 0.000 0.495 63 H N 0.028 119.169 119.070 0.118 0.000 2.353 63 H HA -0.038 4.518 4.556 -0.001 0.000 0.300 63 H C 1.916 177.258 175.328 0.024 0.000 1.090 63 H CA 1.697 57.794 56.048 0.083 0.000 1.327 63 H CB -0.797 29.033 29.762 0.114 0.000 1.383 63 H HN 0.647 nan 8.280 nan 0.000 0.508 64 Y N 1.491 121.786 120.300 -0.008 0.000 2.097 64 Y HA -0.276 4.273 4.550 -0.001 0.000 0.282 64 Y C 2.743 178.500 175.900 -0.238 0.000 1.152 64 Y CA 1.812 59.732 58.100 -0.300 0.000 1.136 64 Y CB -0.283 37.806 38.460 -0.617 0.000 0.975 64 Y HN 0.234 nan 8.280 nan 0.000 0.498 65 H N -0.204 118.943 119.070 0.129 0.000 2.389 65 H HA -0.130 4.426 4.556 -0.001 0.000 0.299 65 H C 1.743 177.042 175.328 -0.049 0.000 1.081 65 H CA 1.532 57.606 56.048 0.043 0.000 1.345 65 H CB -0.342 29.478 29.762 0.095 0.000 1.393 65 H HN 0.474 nan 8.280 nan 0.000 0.520 66 D N 0.311 120.759 120.400 0.079 0.000 2.097 66 D HA -0.113 4.527 4.640 -0.001 0.000 0.195 66 D C 2.421 178.707 176.300 -0.024 0.000 0.989 66 D CA 0.660 54.682 54.000 0.037 0.000 0.827 66 D CB -0.305 40.535 40.800 0.065 0.000 0.966 66 D HN 0.123 nan 8.370 nan 0.000 0.456 67 V N 1.046 120.903 119.914 -0.096 0.000 2.358 67 V HA -0.191 3.929 4.120 -0.001 0.000 0.246 67 V C 2.438 178.428 176.094 -0.173 0.000 1.047 67 V CA 0.921 63.132 62.300 -0.149 0.000 1.035 67 V CB -0.397 31.280 31.823 -0.244 0.000 0.658 67 V HN 0.131 nan 8.190 nan 0.000 0.452 68 L N 0.263 121.313 121.223 -0.288 0.000 2.079 68 L HA -0.172 4.168 4.340 -0.001 0.000 0.210 68 L C 2.342 179.165 176.870 -0.079 0.000 1.081 68 L CA 1.950 56.653 54.840 -0.229 0.000 0.752 68 L CB -0.745 41.148 42.059 -0.277 0.000 0.896 68 L HN 0.233 nan 8.230 nan 0.000 0.433 69 K N -0.517 119.860 120.400 -0.039 0.000 2.057 69 K HA -0.173 4.146 4.320 -0.001 0.000 0.207 69 K C 1.938 178.534 176.600 -0.006 0.000 1.049 69 K CA 1.733 58.015 56.287 -0.008 0.000 0.931 69 K CB -0.179 32.325 32.500 0.007 0.000 0.714 69 K HN 0.477 nan 8.250 nan 0.000 0.440 70 E N 0.467 120.664 120.200 -0.005 0.000 2.058 70 E HA -0.194 4.156 4.350 -0.001 0.000 0.194 70 E C 2.067 178.679 176.600 0.020 0.000 0.997 70 E CA 1.418 57.827 56.400 0.014 0.000 0.801 70 E CB -0.115 29.602 29.700 0.028 0.000 0.746 70 E HN 0.035 nan 8.360 nan 0.000 0.450 71 V N 1.544 121.469 119.914 0.018 0.000 2.295 71 V HA -0.278 3.841 4.120 -0.001 0.000 0.246 71 V C 2.135 178.228 176.094 -0.003 0.000 1.049 71 V CA 1.847 64.160 62.300 0.022 0.000 1.024 71 V CB -0.387 31.451 31.823 0.025 0.000 0.648 71 V HN 0.205 nan 8.190 nan 0.000 0.447 72 K N 0.110 120.504 120.400 -0.010 0.000 2.097 72 K HA -0.120 4.200 4.320 -0.001 0.000 0.206 72 K C 2.305 178.904 176.600 -0.001 0.000 1.049 72 K CA 1.408 57.690 56.287 -0.007 0.000 0.933 72 K CB -0.411 32.085 32.500 -0.007 0.000 0.717 72 K HN 0.481 nan 8.250 nan 0.000 0.442 73 A N 1.551 124.372 122.820 0.001 0.000 1.902 73 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 73 A C 2.368 179.952 177.584 0.001 0.000 1.181 73 A CA 1.920 53.959 52.037 0.003 0.000 0.623 73 A CB -0.652 18.351 19.000 0.006 0.000 0.818 73 A HN 0.338 nan 8.150 nan 0.000 0.443 74 A N -0.318 122.502 122.820 -0.001 0.000 1.929 74 A HA 0.253 4.573 4.320 -0.001 0.000 0.216 74 A C 2.456 180.030 177.584 -0.018 0.000 1.176 74 A CA 1.753 53.783 52.037 -0.010 0.000 0.628 74 A CB -0.919 18.071 19.000 -0.017 0.000 0.816 74 A HN 1.057 nan 8.150 nan 0.000 0.444 75 A N 0.525 123.336 122.820 -0.016 0.000 2.019 75 A HA -0.096 4.224 4.320 -0.001 0.000 0.219 75 A C 2.384 179.968 177.584 0.000 0.000 1.164 75 A CA 2.111 54.141 52.037 -0.010 0.000 0.644 75 A CB -0.928 18.073 19.000 0.002 0.000 0.805 75 A HN 1.050 nan 8.150 nan 0.000 0.449 76 S N -0.223 115.478 115.700 0.002 0.000 2.507 76 S HA -0.086 4.383 4.470 -0.001 0.000 0.235 76 S C 1.411 176.013 174.600 0.004 0.000 0.988 76 S CA 1.238 59.442 58.200 0.007 0.000 0.944 76 S CB -0.337 62.867 63.200 0.007 0.000 0.762 76 S HN 0.643 nan 8.310 nan 0.000 0.526 77 K N 0.733 121.131 120.400 -0.003 0.000 2.426 77 K HA 0.230 4.550 4.320 -0.001 0.000 0.193 77 K C -0.243 176.353 176.600 -0.007 0.000 1.028 77 K CA 0.004 56.289 56.287 -0.004 0.000 1.047 77 K CB 0.218 32.713 32.500 -0.008 0.000 0.821 77 K HN 0.254 nan 8.250 nan 0.000 0.513 78 V N 2.300 122.210 119.914 -0.007 0.000 2.546 78 V HA 0.112 4.232 4.120 -0.001 0.000 0.284 78 V C -0.037 176.058 176.094 0.000 0.000 1.050 78 V CA -0.559 61.735 62.300 -0.010 0.000 0.981 78 V CB 1.215 33.029 31.823 -0.016 0.000 0.990 78 V HN 0.078 nan 8.190 nan 0.000 0.474 79 K N 3.560 123.959 120.400 -0.001 0.000 2.274 79 K HA 0.770 5.089 4.320 -0.001 0.000 0.262 79 K C -0.709 175.894 176.600 0.004 0.000 0.961 79 K CA -0.419 55.872 56.287 0.006 0.000 0.833 79 K CB 1.507 34.011 32.500 0.006 0.000 1.102 79 K HN 0.831 nan 8.250 nan 0.000 0.436 80 A N 4.011 126.838 122.820 0.012 0.000 2.386 80 A HA 0.521 4.841 4.320 -0.001 0.000 0.311 80 A C -1.206 176.393 177.584 0.026 0.000 1.068 80 A CA -1.012 51.032 52.037 0.012 0.000 0.743 80 A CB 1.032 20.035 19.000 0.004 0.000 1.258 80 A HN 0.807 nan 8.150 nan 0.000 0.429 81 N N 0.930 119.648 118.700 0.030 0.000 2.466 81 N HA 0.416 5.156 4.740 -0.001 0.000 0.294 81 N C -0.596 174.940 175.510 0.043 0.000 1.129 81 N CA -0.459 52.611 53.050 0.034 0.000 0.931 81 N CB 1.434 39.938 38.487 0.028 0.000 1.193 81 N HN 0.635 nan 8.380 nan 0.000 0.500 82 L N 1.534 122.777 121.223 0.033 0.000 2.456 82 L HA 0.105 4.445 4.340 -0.001 0.000 0.272 82 L C -0.129 176.728 176.870 -0.021 0.000 1.189 82 L CA -0.393 54.454 54.840 0.011 0.000 0.846 82 L CB 0.370 42.423 42.059 -0.010 0.000 1.111 82 L HN 0.220 nan 8.230 nan 0.000 0.475 83 L N 2.455 123.651 121.223 -0.046 0.000 2.334 83 L HA 0.245 4.585 4.340 -0.001 0.000 0.277 83 L C 0.468 177.239 176.870 -0.164 0.000 1.075 83 L CA 0.266 55.062 54.840 -0.074 0.000 0.804 83 L CB 1.670 43.696 42.059 -0.055 0.000 1.174 83 L HN 0.681 nan 8.230 nan 0.000 0.438 84 S N 1.457 117.067 115.700 -0.150 0.000 2.584 84 S HA 0.160 4.629 4.470 -0.001 0.000 0.270 84 S C 1.396 175.868 174.600 -0.213 0.000 1.346 84 S CA -0.704 57.381 58.200 -0.191 0.000 1.018 84 S CB 0.729 63.838 63.200 -0.151 0.000 0.899 84 S HN 0.351 nan 8.310 nan 0.000 0.542 85 V N 1.927 121.693 119.914 -0.245 0.000 2.278 85 V HA -0.229 3.890 4.120 -0.001 0.000 0.251 85 V C 2.629 178.643 176.094 -0.133 0.000 1.062 85 V CA 2.536 64.715 62.300 -0.201 0.000 1.038 85 V CB -1.406 30.303 31.823 -0.190 0.000 0.646 85 V HN 0.886 nan 8.190 nan 0.000 0.447 86 E N 0.152 120.248 120.200 -0.173 0.000 2.058 86 E HA -0.229 4.121 4.350 -0.001 0.000 0.194 86 E C 2.207 178.777 176.600 -0.050 0.000 0.997 86 E CA 1.720 57.998 56.400 -0.204 0.000 0.801 86 E CB -0.320 29.170 29.700 -0.350 0.000 0.746 86 E HN 0.700 nan 8.360 nan 0.000 0.450 87 E N 0.223 120.370 120.200 -0.089 0.000 2.051 87 E HA -0.195 4.154 4.350 -0.001 0.000 0.192 87 E C 2.100 178.638 176.600 -0.104 0.000 0.991 87 E CA 1.018 57.370 56.400 -0.080 0.000 0.799 87 E CB -0.223 29.421 29.700 -0.093 0.000 0.748 87 E HN 0.289 nan 8.360 nan 0.000 0.449 88 A N 0.875 123.625 122.820 -0.117 0.000 1.902 88 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 88 A C 2.435 179.967 177.584 -0.087 0.000 1.181 88 A CA 1.249 53.210 52.037 -0.127 0.000 0.623 88 A CB -0.915 18.017 19.000 -0.113 0.000 0.818 88 A HN 0.372 nan 8.150 nan 0.000 0.443 89 C N -0.685 118.601 119.300 -0.025 0.000 2.413 89 C HA -0.070 4.389 4.460 -0.001 0.000 0.276 89 C C 3.136 178.100 174.990 -0.043 0.000 1.248 89 C CA 1.443 60.462 59.018 0.001 0.000 1.742 89 C CB -1.224 26.593 27.740 0.127 0.000 2.017 89 C HN 0.597 nan 8.230 nan 0.000 0.481 90 S N 0.513 116.211 115.700 -0.003 0.000 2.515 90 S HA 0.071 4.541 4.470 -0.001 0.000 0.231 90 S C 1.373 175.945 174.600 -0.046 0.000 0.987 90 S CA 0.699 58.887 58.200 -0.019 0.000 0.936 90 S CB -0.231 62.990 63.200 0.034 0.000 0.766 90 S HN 0.589 nan 8.310 nan 0.000 0.528 91 L N 1.156 122.307 121.223 -0.119 0.000 2.591 91 L HA 0.100 4.439 4.340 -0.001 0.000 0.228 91 L C 0.295 177.073 176.870 -0.153 0.000 1.133 91 L CA 0.275 55.007 54.840 -0.181 0.000 0.880 91 L CB -0.275 41.565 42.059 -0.366 0.000 1.033 91 L HN 0.085 nan 8.230 nan 0.000 0.450 92 T N 1.948 116.416 114.554 -0.144 0.000 2.761 92 T HA 0.220 4.570 4.350 -0.001 0.000 0.296 92 T C -2.312 172.200 174.700 -0.313 0.000 0.934 92 T CA -1.139 60.849 62.100 -0.188 0.000 1.091 92 T CB 1.009 69.788 68.868 -0.148 0.000 0.896 92 T HN -0.128 nan 8.240 nan 0.000 0.515 93 P HA 0.161 nan 4.420 nan 0.000 0.268 93 P C -1.961 174.919 177.300 -0.701 0.000 1.205 93 P CA -1.479 61.207 63.100 -0.690 0.000 0.771 93 P CB 0.181 31.404 31.700 -0.796 0.000 0.858 94 P HA -0.152 nan 4.420 nan 0.000 0.222 94 P C 0.827 177.983 177.300 -0.239 0.000 1.147 94 P CA 1.517 64.381 63.100 -0.392 0.000 0.790 94 P CB -0.417 31.104 31.700 -0.299 0.000 0.780 95 H N -3.353 115.605 119.070 -0.188 0.000 2.520 95 H HA 0.306 4.861 4.556 -0.001 0.000 0.284 95 H C 0.310 175.560 175.328 -0.130 0.000 1.037 95 H CA -0.252 55.718 56.048 -0.130 0.000 1.168 95 H CB -0.226 29.468 29.762 -0.113 0.000 1.497 95 H HN -0.091 nan 8.280 nan 0.000 0.547 96 S N 1.050 116.541 115.700 -0.348 0.000 2.563 96 S HA 0.339 4.808 4.470 -0.001 0.000 0.284 96 S C 0.612 175.127 174.600 -0.141 0.000 1.331 96 S CA -0.151 57.897 58.200 -0.254 0.000 1.047 96 S CB 0.148 63.198 63.200 -0.250 0.000 0.859 96 S HN 0.666 nan 8.310 nan 0.000 0.514 97 A N 4.437 127.170 122.820 -0.146 0.000 2.520 97 A HA 0.274 4.593 4.320 -0.001 0.000 0.245 97 A C 0.518 178.074 177.584 -0.047 0.000 1.072 97 A CA -0.234 51.752 52.037 -0.085 0.000 0.761 97 A CB -0.165 18.774 19.000 -0.102 0.000 1.004 97 A HN 0.874 nan 8.150 nan 0.000 0.499 98 K N 2.022 122.393 120.400 -0.049 0.000 2.230 98 K HA 0.350 4.670 4.320 -0.001 0.000 0.253 98 K C 0.377 176.892 176.600 -0.141 0.000 1.008 98 K CA 0.067 56.294 56.287 -0.100 0.000 0.910 98 K CB 0.411 32.853 32.500 -0.097 0.000 0.994 98 K HN 0.464 nan 8.250 nan 0.000 0.495 99 S N 0.084 115.586 115.700 -0.330 0.000 2.603 99 S HA 0.088 4.558 4.470 -0.001 0.000 0.268 99 S C 0.483 174.880 174.600 -0.339 0.000 1.317 99 S CA -0.638 57.333 58.200 -0.381 0.000 1.012 99 S CB 0.692 63.317 63.200 -0.958 0.000 0.926 99 S HN 0.678 nan 8.310 nan 0.000 0.539 100 K N 1.901 122.083 120.400 -0.363 0.000 2.486 100 K HA 0.058 4.378 4.320 -0.001 0.000 0.194 100 K C -0.161 176.005 176.600 -0.722 0.000 1.033 100 K CA 0.835 56.783 56.287 -0.565 0.000 1.004 100 K CB -0.089 31.959 32.500 -0.753 0.000 0.798 100 K HN 0.596 nan 8.250 nan 0.000 0.495 101 F N 0.284 120.056 119.950 -0.296 0.000 2.750 101 F HA 0.267 4.793 4.527 -0.001 0.000 0.297 101 F C 1.003 176.728 175.800 -0.125 0.000 1.138 101 F CA -0.437 57.407 58.000 -0.260 0.000 1.346 101 F CB 0.907 39.590 39.000 -0.528 0.000 0.965 101 F HN 0.071 nan 8.300 nan 0.000 0.514 102 G N 0.427 109.195 108.800 -0.053 0.000 2.140 102 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.211 102 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.211 102 G C -0.383 174.609 174.900 0.154 0.000 1.013 102 G CA 0.053 45.180 45.100 0.046 0.000 0.705 102 G HN 0.548 nan 8.290 nan 0.000 0.508 103 Y N -2.664 117.639 120.300 0.006 0.000 2.670 103 Y HA 0.790 5.340 4.550 0.000 0.000 0.334 103 Y C 0.340 176.245 175.900 0.009 0.000 1.185 103 Y CA -1.031 57.076 58.100 0.011 0.000 1.053 103 Y CB 0.604 39.079 38.460 0.025 0.000 1.298 103 Y HN 0.739 nan 8.280 nan 0.000 0.459 104 G N -0.372 108.514 108.800 0.144 0.000 3.042 104 G HA2 0.541 4.500 3.960 -0.001 0.000 0.278 104 G HA3 0.541 4.500 3.960 -0.001 0.000 0.278 104 G C 0.133 175.087 174.900 0.091 0.000 1.371 104 G CA -0.768 44.352 45.100 0.033 0.000 1.009 104 G HN 1.208 nan 8.290 nan 0.000 0.523 105 A N -0.383 122.437 122.820 -0.001 0.000 1.978 105 A HA -0.026 4.293 4.320 -0.001 0.000 0.220 105 A C 2.150 179.696 177.584 -0.064 0.000 1.170 105 A CA 2.022 54.032 52.037 -0.045 0.000 0.636 105 A CB -0.403 18.521 19.000 -0.127 0.000 0.810 105 A HN 0.600 nan 8.150 nan 0.000 0.448 106 K N -0.222 120.146 120.400 -0.052 0.000 2.097 106 K HA -0.115 4.205 4.320 -0.001 0.000 0.205 106 K C 1.388 177.956 176.600 -0.054 0.000 1.050 106 K CA 1.326 57.573 56.287 -0.067 0.000 0.938 106 K CB -0.204 32.268 32.500 -0.047 0.000 0.718 106 K HN 0.460 nan 8.250 nan 0.000 0.442 107 D N 0.661 121.064 120.400 0.005 0.000 2.117 107 D HA -0.126 4.514 4.640 -0.001 0.000 0.198 107 D C 2.043 178.320 176.300 -0.037 0.000 0.982 107 D CA 1.033 55.039 54.000 0.011 0.000 0.828 107 D CB -0.166 40.693 40.800 0.099 0.000 0.967 107 D HN -0.053 nan 8.370 nan 0.000 0.464 108 V N 1.456 121.371 119.914 0.002 0.000 2.295 108 V HA -0.235 3.885 4.120 -0.001 0.000 0.246 108 V C 2.472 178.457 176.094 -0.181 0.000 1.049 108 V CA 1.592 63.867 62.300 -0.043 0.000 1.024 108 V CB -0.398 31.446 31.823 0.034 0.000 0.648 108 V HN 0.130 nan 8.190 nan 0.000 0.447 109 R N -0.986 119.387 120.500 -0.211 0.000 2.148 109 R HA -0.113 4.226 4.340 -0.001 0.000 0.227 109 R C 1.961 177.960 176.300 -0.501 0.000 1.103 109 R CA 1.535 57.439 56.100 -0.327 0.000 0.983 109 R CB -0.498 29.657 30.300 -0.241 0.000 0.874 109 R HN 0.451 nan 8.270 nan 0.000 0.451 110 C N -0.342 118.753 119.300 -0.342 0.000 2.697 110 C HA 0.141 4.600 4.460 -0.001 0.000 0.267 110 C C -0.001 174.860 174.990 -0.215 0.000 1.278 110 C CA -0.322 58.536 59.018 -0.267 0.000 1.708 110 C CB -1.541 26.131 27.740 -0.114 0.000 1.860 110 C HN 0.641 nan 8.230 nan 0.000 0.589 111 H N -0.311 118.727 119.070 -0.053 0.000 2.713 111 H HA -0.182 4.373 4.556 -0.001 0.000 0.311 111 H C 0.766 176.054 175.328 -0.066 0.000 1.175 111 H CA 0.174 56.182 56.048 -0.066 0.000 1.143 111 H CB -1.477 28.249 29.762 -0.061 0.000 1.434 111 H HN 0.659 nan 8.280 nan 0.000 0.418 112 A N 0.899 123.711 122.820 -0.013 0.000 2.483 112 A HA 0.125 4.445 4.320 -0.001 0.000 0.238 112 A C 1.819 179.377 177.584 -0.044 0.000 1.070 112 A CA 0.381 52.404 52.037 -0.024 0.000 0.770 112 A CB 0.336 19.318 19.000 -0.030 0.000 1.008 112 A HN 0.582 nan 8.150 nan 0.000 0.497 113 R N 1.607 122.090 120.500 -0.029 0.000 2.094 113 R HA -0.234 4.106 4.340 -0.001 0.000 0.239 113 R C 1.979 178.242 176.300 -0.061 0.000 1.137 113 R CA 2.436 58.516 56.100 -0.034 0.000 0.943 113 R CB -0.399 29.891 30.300 -0.016 0.000 0.850 113 R HN 0.925 nan 8.270 nan 0.000 0.433 114 K N -0.359 120.003 120.400 -0.063 0.000 2.057 114 K HA -0.006 4.314 4.320 -0.001 0.000 0.206 114 K C 2.150 178.592 176.600 -0.262 0.000 1.050 114 K CA 1.374 57.615 56.287 -0.077 0.000 0.935 114 K CB -0.430 32.073 32.500 0.005 0.000 0.715 114 K HN 0.158 nan 8.250 nan 0.000 0.439 115 A N 1.777 124.320 122.820 -0.461 0.000 1.883 115 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 115 A C 2.465 179.759 177.584 -0.484 0.000 1.186 115 A CA 1.829 53.276 52.037 -0.983 0.000 0.624 115 A CB -0.871 17.749 19.000 -0.633 0.000 0.822 115 A HN 0.158 nan 8.150 nan 0.000 0.444 116 V N -0.255 119.520 119.914 -0.232 0.000 2.427 116 V HA -0.200 3.920 4.120 -0.001 0.000 0.248 116 V C 3.039 179.074 176.094 -0.100 0.000 1.051 116 V CA 1.770 63.994 62.300 -0.126 0.000 1.048 116 V CB -1.180 30.601 31.823 -0.069 0.000 0.666 116 V HN 0.629 nan 8.190 nan 0.000 0.456 117 A N -0.336 122.434 122.820 -0.084 0.000 1.908 117 A HA -0.319 4.000 4.320 -0.001 0.000 0.218 117 A C 2.125 179.698 177.584 -0.017 0.000 1.181 117 A CA 2.458 54.472 52.037 -0.038 0.000 0.627 117 A CB -0.827 18.163 19.000 -0.015 0.000 0.818 117 A HN 0.727 nan 8.150 nan 0.000 0.445 118 H N -0.163 118.831 119.070 -0.127 0.000 2.326 118 H HA -0.009 4.547 4.556 -0.001 0.000 0.301 118 H C 1.739 177.037 175.328 -0.049 0.000 1.081 118 H CA 1.926 57.926 56.048 -0.080 0.000 1.334 118 H CB -0.311 29.453 29.762 0.004 0.000 1.385 118 H HN 0.413 nan 8.280 nan 0.000 0.504 119 I N 0.354 120.845 120.570 -0.131 0.000 2.163 119 I HA -0.337 3.833 4.170 -0.001 0.000 0.243 119 I C 2.080 178.152 176.117 -0.075 0.000 1.085 119 I CA 1.363 62.596 61.300 -0.110 0.000 1.347 119 I CB -0.366 37.605 38.000 -0.047 0.000 1.044 119 I HN 0.358 nan 8.210 nan 0.000 0.408 120 N N 0.582 119.247 118.700 -0.060 0.000 2.149 120 N HA -0.176 4.564 4.740 -0.001 0.000 0.188 120 N C 2.075 177.594 175.510 0.014 0.000 1.019 120 N CA 1.926 54.974 53.050 -0.004 0.000 0.857 120 N CB -0.429 38.045 38.487 -0.021 0.000 0.997 120 N HN 0.459 nan 8.380 nan 0.000 0.426 121 S N -0.101 115.557 115.700 -0.070 0.000 2.406 121 S HA -0.019 4.450 4.470 -0.001 0.000 0.228 121 S C 2.159 176.682 174.600 -0.128 0.000 1.020 121 S CA 0.771 58.917 58.200 -0.089 0.000 0.965 121 S CB -0.572 62.568 63.200 -0.101 0.000 0.798 121 S HN 0.027 nan 8.310 nan 0.000 0.488 122 V N 0.811 120.597 119.914 -0.214 0.000 2.358 122 V HA -0.106 4.013 4.120 -0.001 0.000 0.246 122 V C 2.236 178.312 176.094 -0.029 0.000 1.047 122 V CA 1.724 63.917 62.300 -0.178 0.000 1.035 122 V CB -1.030 30.652 31.823 -0.235 0.000 0.658 122 V HN 0.701 nan 8.190 nan 0.000 0.452 123 W N 1.427 122.649 121.300 -0.131 0.000 2.355 123 W HA -0.244 4.416 4.660 0.000 0.000 0.309 123 W C 2.544 179.020 176.519 -0.072 0.000 1.206 123 W CA 2.349 59.644 57.345 -0.084 0.000 1.284 123 W CB -0.145 29.273 29.460 -0.069 0.000 1.145 123 W HN 0.239 nan 8.180 nan 0.000 0.502 124 K N 0.583 121.010 120.400 0.045 0.000 2.063 124 K HA -0.284 4.035 4.320 -0.001 0.000 0.208 124 K C 1.716 178.239 176.600 -0.128 0.000 1.048 124 K CA 2.345 58.606 56.287 -0.042 0.000 0.928 124 K CB -0.607 31.896 32.500 0.006 0.000 0.713 124 K HN 0.057 nan 8.250 nan 0.000 0.442 125 D N 0.047 120.375 120.400 -0.120 0.000 2.178 125 D HA -0.113 4.527 4.640 -0.001 0.000 0.202 125 D C 1.948 178.144 176.300 -0.173 0.000 0.974 125 D CA 0.770 54.695 54.000 -0.125 0.000 0.841 125 D CB 0.106 40.842 40.800 -0.106 0.000 0.953 125 D HN 0.222 nan 8.370 nan 0.000 0.478 126 L N -0.004 121.069 121.223 -0.249 0.000 2.141 126 L HA -0.093 4.246 4.340 -0.001 0.000 0.209 126 L C 2.248 178.911 176.870 -0.345 0.000 1.094 126 L CA 0.576 55.228 54.840 -0.312 0.000 0.763 126 L CB -0.247 41.551 42.059 -0.435 0.000 0.908 126 L HN 0.228 nan 8.230 nan 0.000 0.437 127 L N -0.948 120.036 121.223 -0.399 0.000 2.313 127 L HA -0.113 4.226 4.340 -0.001 0.000 0.214 127 L C 2.032 178.795 176.870 -0.178 0.000 1.119 127 L CA 0.910 55.564 54.840 -0.311 0.000 0.809 127 L CB -0.203 41.670 42.059 -0.309 0.000 0.933 127 L HN 0.312 nan 8.230 nan 0.000 0.449 128 E N -1.251 118.860 120.200 -0.149 0.000 2.290 128 E HA -0.010 4.339 4.350 -0.001 0.000 0.197 128 E C 0.134 176.684 176.600 -0.083 0.000 0.948 128 E CA 0.025 56.367 56.400 -0.097 0.000 0.895 128 E CB 0.605 30.259 29.700 -0.077 0.000 0.865 128 E HN 0.120 nan 8.360 nan 0.000 0.486 129 D N -0.278 120.064 120.400 -0.095 0.000 2.481 129 D HA 0.181 4.821 4.640 -0.001 0.000 0.246 129 D C -0.327 175.922 176.300 -0.085 0.000 1.109 129 D CA -0.372 53.583 54.000 -0.075 0.000 0.845 129 D CB 1.670 42.431 40.800 -0.065 0.000 1.160 129 D HN -0.252 nan 8.370 nan 0.000 0.534 130 S N 1.895 117.554 115.700 -0.069 0.000 2.540 130 S HA 0.070 4.540 4.470 -0.001 0.000 0.218 130 S C 1.460 176.029 174.600 -0.052 0.000 0.977 130 S CA 0.200 58.360 58.200 -0.068 0.000 0.918 130 S CB 0.497 63.662 63.200 -0.058 0.000 0.806 130 S HN 0.566 nan 8.310 nan 0.000 0.496 131 V N -2.916 116.973 119.914 -0.042 0.000 3.350 131 V HA 0.276 4.396 4.120 -0.001 0.000 0.246 131 V C 0.454 176.538 176.094 -0.016 0.000 1.363 131 V CA -0.051 62.234 62.300 -0.026 0.000 1.162 131 V CB -0.606 31.206 31.823 -0.019 0.000 0.947 131 V HN 0.144 nan 8.190 nan 0.000 0.454 132 T N 4.835 119.378 114.554 -0.018 0.000 2.817 132 T HA 0.315 4.665 4.350 -0.001 0.000 0.295 132 T C -2.435 172.265 174.700 -0.001 0.000 0.958 132 T CA -0.074 62.024 62.100 -0.003 0.000 1.157 132 T CB 0.684 69.549 68.868 -0.005 0.000 0.898 132 T HN 0.368 nan 8.240 nan 0.000 0.536 133 P HA 0.181 nan 4.420 nan 0.000 0.266 133 P C -0.248 177.049 177.300 -0.005 0.000 1.195 133 P CA -0.122 62.988 63.100 0.017 0.000 0.768 133 P CB 0.411 32.161 31.700 0.083 0.000 0.838 134 I N 2.228 122.777 120.570 -0.034 0.000 2.385 134 I HA 0.169 4.339 4.170 -0.001 0.000 0.294 134 I C 0.852 176.951 176.117 -0.030 0.000 0.988 134 I CA -0.522 60.765 61.300 -0.022 0.000 1.265 134 I CB 0.924 38.905 38.000 -0.032 0.000 1.388 134 I HN 0.306 nan 8.210 nan 0.000 0.480 135 D N 4.137 124.538 120.400 0.001 0.000 2.399 135 D HA 0.192 4.832 4.640 -0.001 0.000 0.241 135 D C -0.329 175.942 176.300 -0.048 0.000 1.133 135 D CA 0.311 54.298 54.000 -0.022 0.000 0.890 135 D CB 0.810 41.617 40.800 0.010 0.000 1.201 135 D HN 0.615 nan 8.370 nan 0.000 0.432 136 T N -0.812 113.682 114.554 -0.099 0.000 2.906 136 T HA 0.611 4.961 4.350 -0.001 0.000 0.295 136 T C -0.386 174.169 174.700 -0.241 0.000 1.075 136 T CA -0.959 61.047 62.100 -0.156 0.000 1.005 136 T CB 1.523 70.319 68.868 -0.120 0.000 1.136 136 T HN 0.211 nan 8.240 nan 0.000 0.498 137 T N 2.123 116.384 114.554 -0.488 0.000 2.829 137 T HA 0.584 4.934 4.350 -0.001 0.000 0.282 137 T C -0.365 174.066 174.700 -0.448 0.000 0.990 137 T CA -0.617 61.160 62.100 -0.538 0.000 1.028 137 T CB 0.762 69.119 68.868 -0.851 0.000 0.951 137 T HN 0.727 nan 8.240 nan 0.000 0.460 138 I N 4.068 124.534 120.570 -0.173 0.000 2.377 138 I HA 0.546 4.716 4.170 -0.001 0.000 0.293 138 I C -0.991 175.142 176.117 0.026 0.000 0.987 138 I CA -0.766 60.519 61.300 -0.026 0.000 1.185 138 I CB 0.656 38.692 38.000 0.059 0.000 1.341 138 I HN 0.409 nan 8.210 nan 0.000 0.455 139 M N 6.302 125.970 119.600 0.112 0.000 2.550 139 M HA 0.483 4.962 4.480 -0.001 0.000 0.292 139 M C -0.683 175.679 176.300 0.104 0.000 1.221 139 M CA -0.597 54.780 55.300 0.129 0.000 0.873 139 M CB 1.872 34.613 32.600 0.235 0.000 1.727 139 M HN 0.608 nan 8.290 nan 0.000 0.459 140 A N 2.204 125.065 122.820 0.069 0.000 2.289 140 A HA 0.478 4.797 4.320 -0.001 0.000 0.298 140 A C -0.077 177.542 177.584 0.058 0.000 1.208 140 A CA -0.471 51.599 52.037 0.055 0.000 0.845 140 A CB 0.203 19.222 19.000 0.032 0.000 1.125 140 A HN 0.755 nan 8.150 nan 0.000 0.517 141 K N 2.351 122.788 120.400 0.062 0.000 2.401 141 K HA 0.074 4.394 4.320 -0.001 0.000 0.278 141 K C -0.525 176.081 176.600 0.009 0.000 1.018 141 K CA -0.044 56.265 56.287 0.037 0.000 0.981 141 K CB 0.386 32.915 32.500 0.048 0.000 0.933 141 K HN 0.653 nan 8.250 nan 0.000 0.477 142 N N 4.130 122.805 118.700 -0.043 0.000 2.558 142 N HA 0.115 4.855 4.740 -0.001 0.000 0.233 142 N C -0.851 174.530 175.510 -0.214 0.000 1.038 142 N CA -0.058 52.928 53.050 -0.107 0.000 0.934 142 N CB 0.979 39.394 38.487 -0.120 0.000 1.175 142 N HN 0.500 nan 8.380 nan 0.000 0.512 143 E N 0.333 120.395 120.200 -0.230 0.000 2.277 143 E HA 0.495 4.845 4.350 -0.001 0.000 0.266 143 E C -0.680 175.526 176.600 -0.658 0.000 0.901 143 E CA -0.965 55.185 56.400 -0.416 0.000 0.782 143 E CB 2.550 32.053 29.700 -0.328 0.000 1.228 143 E HN 0.038 nan 8.360 nan 0.000 0.424 144 V N 2.829 122.226 119.914 -0.862 0.000 2.483 144 V HA 0.504 4.624 4.120 -0.001 0.000 0.295 144 V C -0.905 174.570 176.094 -1.031 0.000 1.035 144 V CA -0.313 61.500 62.300 -0.813 0.000 0.896 144 V CB 0.409 31.881 31.823 -0.585 0.000 0.986 144 V HN 0.510 nan 8.190 nan 0.000 0.447 145 F N 2.081 121.705 119.950 -0.544 0.000 2.692 145 F HA 0.591 5.118 4.527 -0.000 0.000 0.320 145 F C 0.016 175.635 175.800 -0.301 0.000 1.123 145 F CA -0.747 57.004 58.000 -0.417 0.000 0.961 145 F CB 1.323 40.057 39.000 -0.443 0.000 1.383 145 F HN 0.516 nan 8.300 nan 0.000 0.483 146 C N 2.861 122.267 119.300 0.177 0.000 2.341 146 C HA 0.806 5.265 4.460 -0.001 0.000 0.338 146 C C 0.034 175.236 174.990 0.352 0.000 1.257 146 C CA -0.669 58.487 59.018 0.231 0.000 1.883 146 C CB -0.135 27.694 27.740 0.147 0.000 2.334 146 C HN 0.708 nan 8.230 nan 0.000 0.524 147 V N 5.188 125.338 119.914 0.394 0.000 2.963 147 V HA 0.368 4.488 4.120 -0.001 0.000 0.306 147 V C -0.281 175.894 176.094 0.135 0.000 1.077 147 V CA 0.159 62.621 62.300 0.270 0.000 1.124 147 V CB 0.571 32.466 31.823 0.119 0.000 0.987 147 V HN 0.912 nan 8.190 nan 0.000 0.487 148 Q N 3.829 123.674 119.800 0.075 0.000 2.558 148 Q HA 0.357 4.696 4.340 -0.001 0.000 0.252 148 Q C -2.157 173.847 176.000 0.007 0.000 1.015 148 Q CA -1.669 54.155 55.803 0.035 0.000 0.720 148 Q CB 1.926 30.678 28.738 0.023 0.000 1.215 148 Q HN 0.691 nan 8.270 nan 0.000 0.500 149 P HA -0.115 nan 4.420 nan 0.000 0.242 149 P C 0.724 178.016 177.300 -0.014 0.000 1.197 149 P CA 0.774 63.866 63.100 -0.013 0.000 0.765 149 P CB 0.499 32.191 31.700 -0.013 0.000 0.936 150 E N 0.055 120.249 120.200 -0.009 0.000 2.442 150 E HA 0.014 4.363 4.350 -0.001 0.000 0.195 150 E C 0.758 177.350 176.600 -0.013 0.000 1.030 150 E CA 0.675 57.069 56.400 -0.010 0.000 0.869 150 E CB -0.018 29.678 29.700 -0.006 0.000 0.857 150 E HN 0.193 nan 8.360 nan 0.000 0.505 151 K N -1.927 118.463 120.400 -0.016 0.000 2.096 151 K HA 0.507 4.826 4.320 -0.001 0.000 0.263 151 K C 0.807 177.391 176.600 -0.028 0.000 1.013 151 K CA -0.288 55.987 56.287 -0.020 0.000 1.218 151 K CB -0.048 32.440 32.500 -0.021 0.000 1.961 151 K HN -0.107 nan 8.250 nan 0.000 0.851 152 G N 0.435 109.216 108.800 -0.033 0.000 3.452 152 G HA2 0.318 4.277 3.960 -0.001 0.000 0.258 152 G HA3 0.318 4.277 3.960 -0.001 0.000 0.258 152 G C 0.739 175.601 174.900 -0.062 0.000 1.305 152 G CA 0.376 45.451 45.100 -0.042 0.000 1.514 152 G HN 0.765 nan 8.290 nan 0.000 0.593 153 G N 1.242 110.004 108.800 -0.062 0.000 2.698 153 G HA2 -0.375 3.585 3.960 -0.001 0.000 0.337 153 G HA3 -0.375 3.585 3.960 -0.001 0.000 0.337 153 G C 0.617 175.426 174.900 -0.151 0.000 1.196 153 G CA 0.429 45.471 45.100 -0.096 0.000 0.965 153 G HN 0.735 nan 8.290 nan 0.000 0.550 154 R N 1.838 122.168 120.500 -0.284 0.000 2.297 154 R HA 0.439 4.779 4.340 -0.001 0.000 0.308 154 R C 0.575 176.788 176.300 -0.145 0.000 1.029 154 R CA -0.264 55.540 56.100 -0.493 0.000 0.929 154 R CB 1.131 30.888 30.300 -0.905 0.000 1.046 154 R HN 0.746 nan 8.270 nan 0.000 0.461 155 K N 2.621 123.041 120.400 0.033 0.000 2.154 155 K HA 0.381 4.701 4.320 -0.001 0.000 0.264 155 K C -2.475 174.159 176.600 0.057 0.000 1.008 155 K CA -1.902 54.384 56.287 -0.002 0.000 0.937 155 K CB 0.522 32.957 32.500 -0.108 0.000 1.002 155 K HN 0.164 nan 8.250 nan 0.000 0.469 156 P HA 0.015 nan 4.420 nan 0.000 0.271 156 P C -0.821 176.523 177.300 0.073 0.000 1.218 156 P CA -0.224 62.900 63.100 0.040 0.000 0.780 156 P CB 0.695 32.402 31.700 0.012 0.000 0.901 157 A N 3.677 126.548 122.820 0.084 0.000 2.498 157 A HA 0.077 4.396 4.320 -0.001 0.000 0.239 157 A C 0.477 178.111 177.584 0.084 0.000 1.068 157 A CA 0.010 52.108 52.037 0.101 0.000 0.766 157 A CB -0.227 18.818 19.000 0.075 0.000 1.003 157 A HN 0.468 nan 8.150 nan 0.000 0.497 158 R N 0.582 121.147 120.500 0.109 0.000 2.594 158 R HA 0.353 4.693 4.340 -0.001 0.000 0.272 158 R C -0.738 175.618 176.300 0.092 0.000 1.074 158 R CA -0.056 56.107 56.100 0.105 0.000 1.105 158 R CB 0.309 30.685 30.300 0.128 0.000 1.008 158 R HN 0.643 nan 8.270 nan 0.000 0.472 159 L N 3.333 124.613 121.223 0.095 0.000 2.309 159 L HA 0.447 4.786 4.340 -0.001 0.000 0.282 159 L C -0.289 176.666 176.870 0.142 0.000 1.036 159 L CA -0.822 54.076 54.840 0.096 0.000 0.806 159 L CB 1.312 43.408 42.059 0.062 0.000 1.220 159 L HN 0.465 nan 8.230 nan 0.000 0.429 160 I N 3.380 124.051 120.570 0.168 0.000 2.404 160 I HA 0.484 4.654 4.170 -0.001 0.000 0.293 160 I C -0.797 175.491 176.117 0.286 0.000 0.992 160 I CA -0.310 61.128 61.300 0.230 0.000 1.149 160 I CB 1.821 39.961 38.000 0.233 0.000 1.315 160 I HN 0.201 nan 8.210 nan 0.000 0.446 161 V N 8.875 128.956 119.914 0.278 0.000 2.407 161 V HA 0.562 4.681 4.120 -0.001 0.000 0.291 161 V C -0.779 175.469 176.094 0.256 0.000 1.018 161 V CA -0.467 61.945 62.300 0.186 0.000 0.842 161 V CB 0.976 32.894 31.823 0.159 0.000 0.996 161 V HN 0.597 nan 8.190 nan 0.000 0.426 162 F N 5.062 125.060 119.950 0.080 0.000 2.601 162 F HA 0.945 5.471 4.527 -0.001 0.000 0.309 162 F C -3.013 172.830 175.800 0.071 0.000 1.089 162 F CA -2.680 55.367 58.000 0.080 0.000 0.940 162 F CB 1.803 40.843 39.000 0.067 0.000 1.273 162 F HN 0.285 nan 8.300 nan 0.000 0.450 163 P HA 0.173 nan 4.420 nan 0.000 0.279 163 P C -1.038 176.397 177.300 0.226 0.000 1.276 163 P CA -0.153 63.023 63.100 0.127 0.000 0.801 163 P CB 1.027 32.808 31.700 0.136 0.000 1.127 164 D N -0.828 119.686 120.400 0.191 0.000 2.400 164 D HA -0.049 4.591 4.640 -0.001 0.000 0.238 164 D C 1.360 177.807 176.300 0.245 0.000 1.157 164 D CA -0.276 53.867 54.000 0.237 0.000 0.889 164 D CB 0.277 41.275 40.800 0.330 0.000 1.199 164 D HN 0.102 nan 8.370 nan 0.000 0.436 165 L N 3.488 124.834 121.223 0.204 0.000 2.051 165 L HA -0.066 4.274 4.340 -0.001 0.000 0.214 165 L C 2.038 179.065 176.870 0.262 0.000 1.076 165 L CA 2.658 57.606 54.840 0.180 0.000 0.758 165 L CB -1.161 40.952 42.059 0.089 0.000 0.890 165 L HN 0.667 nan 8.230 nan 0.000 0.433 166 G N -1.268 107.765 108.800 0.389 0.000 2.440 166 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.218 166 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.218 166 G C 1.542 176.549 174.900 0.178 0.000 1.154 166 G CA 1.147 46.464 45.100 0.361 0.000 0.767 166 G HN 0.370 nan 8.290 nan 0.000 0.552 167 V N 0.716 120.734 119.914 0.173 0.000 2.358 167 V HA -0.158 3.962 4.120 -0.001 0.000 0.246 167 V C 2.927 179.107 176.094 0.144 0.000 1.047 167 V CA 1.905 64.282 62.300 0.128 0.000 1.035 167 V CB -0.460 31.432 31.823 0.115 0.000 0.658 167 V HN 0.332 nan 8.190 nan 0.000 0.452 168 R N -0.309 120.285 120.500 0.158 0.000 2.081 168 R HA -0.122 4.218 4.340 -0.001 0.000 0.235 168 R C 2.239 178.605 176.300 0.110 0.000 1.131 168 R CA 1.449 57.633 56.100 0.140 0.000 0.960 168 R CB -0.624 29.748 30.300 0.122 0.000 0.856 168 R HN 0.422 nan 8.270 nan 0.000 0.436 169 V N 0.511 120.486 119.914 0.103 0.000 2.343 169 V HA -0.301 3.819 4.120 -0.001 0.000 0.247 169 V C 2.498 178.635 176.094 0.071 0.000 1.051 169 V CA 1.587 63.924 62.300 0.062 0.000 1.036 169 V CB -0.480 31.377 31.823 0.057 0.000 0.654 169 V HN 0.455 nan 8.190 nan 0.000 0.451 170 C N -0.096 119.283 119.300 0.132 0.000 2.425 170 C HA -0.143 4.317 4.460 -0.001 0.000 0.277 170 C C 2.658 177.811 174.990 0.271 0.000 1.280 170 C CA 0.909 60.075 59.018 0.246 0.000 1.744 170 C CB -1.037 26.902 27.740 0.330 0.000 1.989 170 C HN 0.627 nan 8.230 nan 0.000 0.491 171 E N 0.824 121.147 120.200 0.205 0.000 2.077 171 E HA -0.218 4.132 4.350 -0.001 0.000 0.193 171 E C 2.141 178.858 176.600 0.194 0.000 0.989 171 E CA 1.161 57.694 56.400 0.221 0.000 0.800 171 E CB -0.141 29.700 29.700 0.234 0.000 0.746 171 E HN 0.633 nan 8.360 nan 0.000 0.452 172 K N 0.431 120.914 120.400 0.138 0.000 2.032 172 K HA -0.138 4.182 4.320 -0.001 0.000 0.209 172 K C 2.186 178.845 176.600 0.098 0.000 1.048 172 K CA 1.526 57.881 56.287 0.113 0.000 0.927 172 K CB -0.142 32.351 32.500 -0.011 0.000 0.712 172 K HN 0.091 nan 8.250 nan 0.000 0.441 173 M N 0.288 119.903 119.600 0.025 0.000 2.082 173 M HA -0.219 4.261 4.480 -0.001 0.000 0.258 173 M C 2.395 178.727 176.300 0.052 0.000 1.069 173 M CA 1.966 57.215 55.300 -0.084 0.000 1.102 173 M CB -0.354 32.001 32.600 -0.408 0.000 1.336 173 M HN 0.247 nan 8.290 nan 0.000 0.404 174 A N -0.850 122.106 122.820 0.227 0.000 1.975 174 A HA 0.100 4.419 4.320 -0.001 0.000 0.215 174 A C 1.846 179.526 177.584 0.161 0.000 1.170 174 A CA 1.048 53.263 52.037 0.297 0.000 0.656 174 A CB -0.130 19.098 19.000 0.380 0.000 0.821 174 A HN 0.502 nan 8.150 nan 0.000 0.449 175 L N -3.131 118.175 121.223 0.138 0.000 3.174 175 L HA 0.187 4.526 4.340 -0.001 0.000 0.283 175 L C 1.775 178.682 176.870 0.063 0.000 1.187 175 L CA 0.022 54.889 54.840 0.046 0.000 1.018 175 L CB 0.135 42.204 42.059 0.016 0.000 1.433 175 L HN 0.444 nan 8.230 nan 0.000 0.593 176 Y N 1.431 121.748 120.300 0.027 0.000 2.145 176 Y HA -0.301 4.248 4.550 -0.000 0.000 0.286 176 Y C 2.140 178.076 175.900 0.060 0.000 1.145 176 Y CA 2.234 60.367 58.100 0.055 0.000 1.148 176 Y CB 0.116 38.599 38.460 0.039 0.000 0.981 176 Y HN 0.193 nan 8.280 nan 0.000 0.507 177 D N -0.725 119.690 120.400 0.024 0.000 2.117 177 D HA -0.166 4.473 4.640 -0.001 0.000 0.197 177 D C 2.263 178.494 176.300 -0.115 0.000 0.987 177 D CA 1.455 55.418 54.000 -0.062 0.000 0.829 177 D CB -0.209 40.612 40.800 0.034 0.000 0.961 177 D HN 0.254 nan 8.370 nan 0.000 0.460 178 V N 0.532 120.388 119.914 -0.096 0.000 2.255 178 V HA -0.245 3.875 4.120 -0.001 0.000 0.247 178 V C 2.687 178.673 176.094 -0.181 0.000 1.051 178 V CA 1.911 64.131 62.300 -0.132 0.000 1.018 178 V CB -0.810 30.899 31.823 -0.190 0.000 0.641 178 V HN 0.325 nan 8.190 nan 0.000 0.445 179 V N -2.312 117.476 119.914 -0.211 0.000 2.913 179 V HA -0.098 4.022 4.120 -0.001 0.000 0.260 179 V C 1.990 177.936 176.094 -0.246 0.000 1.098 179 V CA 2.104 64.275 62.300 -0.215 0.000 1.121 179 V CB -0.443 31.280 31.823 -0.167 0.000 0.714 179 V HN 0.467 nan 8.190 nan 0.000 0.487 180 S N -0.206 115.341 115.700 -0.256 0.000 2.501 180 S HA 0.165 4.635 4.470 -0.001 0.000 0.220 180 S C 1.706 176.214 174.600 -0.153 0.000 0.997 180 S CA 0.843 58.912 58.200 -0.219 0.000 0.919 180 S CB -0.010 63.011 63.200 -0.298 0.000 0.778 180 S HN 0.737 nan 8.310 nan 0.000 0.523 181 K N -0.118 120.186 120.400 -0.159 0.000 2.436 181 K HA 0.289 4.609 4.320 -0.001 0.000 0.198 181 K C 1.535 178.036 176.600 -0.166 0.000 1.174 181 K CA -0.030 56.180 56.287 -0.128 0.000 0.951 181 K CB -0.043 32.405 32.500 -0.087 0.000 1.040 181 K HN 0.079 nan 8.250 nan 0.000 0.536 182 L N 2.525 123.641 121.223 -0.179 0.000 2.044 182 L HA 0.020 4.359 4.340 -0.001 0.000 0.205 182 L C -1.316 175.394 176.870 -0.266 0.000 1.075 182 L CA 1.652 56.397 54.840 -0.159 0.000 0.747 182 L CB -0.738 41.278 42.059 -0.072 0.000 0.903 182 L HN -0.067 nan 8.230 nan 0.000 0.435 183 P HA -0.183 nan 4.420 nan 0.000 0.215 183 P C 1.985 178.871 177.300 -0.691 0.000 1.153 183 P CA 1.316 63.996 63.100 -0.700 0.000 0.853 183 P CB -0.115 30.792 31.700 -1.322 0.000 0.788 184 L N -0.412 120.440 121.223 -0.618 0.000 2.046 184 L HA -0.112 4.228 4.340 -0.001 0.000 0.208 184 L C 2.220 178.970 176.870 -0.201 0.000 1.077 184 L CA 2.066 56.729 54.840 -0.295 0.000 0.747 184 L CB -1.453 40.525 42.059 -0.135 0.000 0.896 184 L HN -0.122 nan 8.230 nan 0.000 0.432 185 A N -1.277 121.433 122.820 -0.184 0.000 1.902 185 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 185 A C 2.253 179.758 177.584 -0.131 0.000 1.181 185 A CA 2.069 54.033 52.037 -0.122 0.000 0.623 185 A CB -1.009 17.935 19.000 -0.094 0.000 0.818 185 A HN 0.315 nan 8.150 nan 0.000 0.443 186 V N -0.059 119.741 119.914 -0.189 0.000 2.407 186 V HA -0.156 3.964 4.120 -0.001 0.000 0.245 186 V C 2.352 178.279 176.094 -0.278 0.000 1.041 186 V CA 2.051 64.236 62.300 -0.192 0.000 1.040 186 V CB -0.439 31.262 31.823 -0.203 0.000 0.671 186 V HN 0.832 nan 8.190 nan 0.000 0.455 187 M N -1.670 117.691 119.600 -0.398 0.000 2.306 187 M HA 0.539 5.018 4.480 -0.001 0.000 0.292 187 M C 1.118 177.297 176.300 -0.201 0.000 1.018 187 M CA 0.687 55.684 55.300 -0.505 0.000 1.007 187 M CB 0.742 32.695 32.600 -1.078 0.000 1.510 187 M HN 0.215 nan 8.290 nan 0.000 0.537 188 G N 2.595 111.318 108.800 -0.128 0.000 2.611 188 G HA2 -0.439 3.521 3.960 -0.001 0.000 0.301 188 G HA3 -0.439 3.521 3.960 -0.001 0.000 0.301 188 G C 0.751 175.647 174.900 -0.007 0.000 1.233 188 G CA 1.630 46.708 45.100 -0.038 0.000 0.993 188 G HN 0.865 nan 8.290 nan 0.000 0.553 189 S N -0.555 115.190 115.700 0.075 0.000 2.469 189 S HA 0.070 4.540 4.470 -0.001 0.000 0.238 189 S C 2.164 176.781 174.600 0.027 0.000 0.998 189 S CA 1.991 60.282 58.200 0.152 0.000 0.957 189 S CB -0.107 63.305 63.200 0.353 0.000 0.764 189 S HN 1.027 nan 8.310 nan 0.000 0.514 190 S N 0.181 115.895 115.700 0.024 0.000 2.522 190 S HA 0.142 4.612 4.470 -0.001 0.000 0.227 190 S C 0.192 174.744 174.600 -0.080 0.000 0.986 190 S CA -0.197 57.996 58.200 -0.012 0.000 0.929 190 S CB -0.397 62.885 63.200 0.137 0.000 0.769 190 S HN 0.684 nan 8.310 nan 0.000 0.529 191 Y N 3.184 123.324 120.300 -0.265 0.000 2.584 191 Y HA 0.436 4.986 4.550 -0.001 0.000 0.351 191 Y C 1.283 176.951 175.900 -0.387 0.000 1.030 191 Y CA -1.479 56.436 58.100 -0.307 0.000 1.332 191 Y CB -0.042 38.250 38.460 -0.279 0.000 1.148 191 Y HN 0.070 nan 8.280 nan 0.000 0.528 192 G N 4.555 112.924 108.800 -0.717 0.000 2.422 192 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.218 192 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.218 192 G C 1.061 175.446 174.900 -0.857 0.000 1.140 192 G CA 0.284 44.961 45.100 -0.706 0.000 0.775 192 G HN 0.632 nan 8.290 nan 0.000 0.545 193 F N 1.295 120.548 119.950 -1.163 0.000 2.699 193 F HA 0.057 4.584 4.527 -0.000 0.000 0.298 193 F C 2.783 178.342 175.800 -0.403 0.000 1.154 193 F CA 0.751 58.205 58.000 -0.909 0.000 1.457 193 F CB -0.100 38.362 39.000 -0.898 0.000 1.106 193 F HN 0.381 nan 8.300 nan 0.000 0.585 194 Q N -0.784 118.734 119.800 -0.470 0.000 2.451 194 Q HA -0.074 4.265 4.340 -0.001 0.000 0.206 194 Q C -0.614 175.249 176.000 -0.229 0.000 0.947 194 Q CA 0.734 56.370 55.803 -0.278 0.000 0.937 194 Q CB -0.261 28.220 28.738 -0.429 0.000 1.025 194 Q HN 0.285 nan 8.270 nan 0.000 0.511 195 Y N 1.790 122.119 120.300 0.048 0.000 2.360 195 Y HA 0.304 4.854 4.550 -0.000 0.000 0.337 195 Y C 0.559 176.456 175.900 -0.004 0.000 1.039 195 Y CA -1.325 56.776 58.100 -0.000 0.000 1.109 195 Y CB 1.544 39.943 38.460 -0.103 0.000 1.201 195 Y HN 0.105 nan 8.280 nan 0.000 0.458 196 S N 2.841 118.476 115.700 -0.109 0.000 2.596 196 S HA 0.180 4.649 4.470 -0.001 0.000 0.260 196 S C -1.975 172.373 174.600 -0.420 0.000 1.336 196 S CA -0.943 56.785 58.200 -0.788 0.000 0.993 196 S CB 1.096 63.833 63.200 -0.773 0.000 0.923 196 S HN 0.440 nan 8.310 nan 0.000 0.567 197 P HA 0.027 nan 4.420 nan 0.000 0.216 197 P C 1.705 178.935 177.300 -0.116 0.000 1.150 197 P CA 1.652 64.629 63.100 -0.204 0.000 0.837 197 P CB -0.535 31.064 31.700 -0.168 0.000 0.786 198 G N -0.288 108.417 108.800 -0.158 0.000 2.422 198 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.218 198 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.218 198 G C 1.520 176.373 174.900 -0.078 0.000 1.146 198 G CA 0.534 45.593 45.100 -0.069 0.000 0.769 198 G HN 0.314 nan 8.290 nan 0.000 0.547 199 Q N -0.577 119.161 119.800 -0.104 0.000 2.172 199 Q HA 0.057 4.397 4.340 -0.001 0.000 0.200 199 Q C 2.583 178.450 176.000 -0.222 0.000 0.964 199 Q CA 0.608 56.362 55.803 -0.081 0.000 0.855 199 Q CB -0.095 28.685 28.738 0.070 0.000 0.918 199 Q HN 0.430 nan 8.270 nan 0.000 0.444 200 R N 0.524 120.920 120.500 -0.173 0.000 2.081 200 R HA -0.136 4.204 4.340 -0.001 0.000 0.235 200 R C 2.080 178.303 176.300 -0.129 0.000 1.131 200 R CA 1.209 57.180 56.100 -0.215 0.000 0.960 200 R CB -0.133 30.121 30.300 -0.076 0.000 0.856 200 R HN 0.097 nan 8.270 nan 0.000 0.436 201 V N 1.383 121.245 119.914 -0.086 0.000 2.287 201 V HA -0.263 3.857 4.120 -0.001 0.000 0.248 201 V C 2.377 178.403 176.094 -0.113 0.000 1.053 201 V CA 2.281 64.535 62.300 -0.076 0.000 1.027 201 V CB -0.632 31.181 31.823 -0.017 0.000 0.646 201 V HN 0.495 nan 8.190 nan 0.000 0.447 202 E N -0.442 119.698 120.200 -0.100 0.000 2.058 202 E HA -0.286 4.064 4.350 -0.001 0.000 0.194 202 E C 2.118 178.637 176.600 -0.135 0.000 0.997 202 E CA 1.831 58.167 56.400 -0.107 0.000 0.801 202 E CB -0.224 29.433 29.700 -0.071 0.000 0.746 202 E HN 0.573 nan 8.360 nan 0.000 0.450 203 F N 1.174 120.931 119.950 -0.323 0.000 2.069 203 F HA -0.202 4.325 4.527 -0.000 0.000 0.298 203 F C 1.980 177.649 175.800 -0.219 0.000 1.113 203 F CA 1.543 59.339 58.000 -0.341 0.000 1.214 203 F CB -0.207 38.417 39.000 -0.627 0.000 0.978 203 F HN -0.004 nan 8.300 nan 0.000 0.474 204 L N -0.702 120.471 121.223 -0.083 0.000 2.056 204 L HA -0.208 4.131 4.340 -0.001 0.000 0.207 204 L C 2.355 179.111 176.870 -0.190 0.000 1.078 204 L CA 0.977 55.743 54.840 -0.124 0.000 0.749 204 L CB -0.897 41.120 42.059 -0.071 0.000 0.901 204 L HN 0.022 nan 8.230 nan 0.000 0.433 205 V N -0.440 119.327 119.914 -0.245 0.000 2.358 205 V HA -0.317 3.803 4.120 -0.001 0.000 0.246 205 V C 2.463 178.446 176.094 -0.185 0.000 1.047 205 V CA 1.845 63.970 62.300 -0.292 0.000 1.035 205 V CB -0.465 31.047 31.823 -0.519 0.000 0.658 205 V HN 0.505 nan 8.190 nan 0.000 0.452 206 Q N -0.292 119.376 119.800 -0.220 0.000 2.079 206 Q HA -0.179 4.160 4.340 -0.001 0.000 0.200 206 Q C 2.269 178.138 176.000 -0.218 0.000 0.974 206 Q CA 1.783 57.467 55.803 -0.200 0.000 0.840 206 Q CB -0.258 28.352 28.738 -0.213 0.000 0.898 206 Q HN 0.646 nan 8.270 nan 0.000 0.430 207 A N 0.632 123.254 122.820 -0.329 0.000 1.877 207 A HA -0.212 4.108 4.320 -0.001 0.000 0.216 207 A C 1.844 179.363 177.584 -0.110 0.000 1.186 207 A CA 1.192 53.049 52.037 -0.299 0.000 0.620 207 A CB -1.362 17.374 19.000 -0.440 0.000 0.822 207 A HN 0.787 nan 8.150 nan 0.000 0.443 208 W N 0.846 122.004 121.300 -0.237 0.000 2.355 208 W HA -0.156 4.504 4.660 -0.001 0.000 0.309 208 W C 1.745 178.183 176.519 -0.135 0.000 1.206 208 W CA 1.983 59.228 57.345 -0.167 0.000 1.284 208 W CB -0.165 29.194 29.460 -0.168 0.000 1.145 208 W HN 0.307 nan 8.180 nan 0.000 0.502 209 K N 0.261 120.686 120.400 0.042 0.000 2.439 209 K HA -0.114 4.205 4.320 -0.001 0.000 0.197 209 K C 2.038 178.583 176.600 -0.091 0.000 1.041 209 K CA 1.395 57.665 56.287 -0.028 0.000 0.970 209 K CB -0.188 32.306 32.500 -0.010 0.000 0.773 209 K HN 0.056 nan 8.250 nan 0.000 0.479 210 S N 0.357 115.986 115.700 -0.118 0.000 2.522 210 S HA 0.021 4.490 4.470 -0.001 0.000 0.227 210 S C 0.546 175.066 174.600 -0.133 0.000 0.986 210 S CA 0.168 58.297 58.200 -0.117 0.000 0.929 210 S CB 0.101 63.228 63.200 -0.123 0.000 0.769 210 S HN -0.044 nan 8.310 nan 0.000 0.529 211 K N 1.790 122.075 120.400 -0.191 0.000 2.118 211 K HA 0.326 4.646 4.320 -0.001 0.000 0.267 211 K C 0.784 177.274 176.600 -0.183 0.000 0.991 211 K CA -0.498 55.666 56.287 -0.205 0.000 0.916 211 K CB 1.350 33.668 32.500 -0.302 0.000 1.041 211 K HN 0.151 nan 8.250 nan 0.000 0.455 212 K N 0.895 121.214 120.400 -0.136 0.000 2.026 212 K HA -0.052 4.268 4.320 -0.001 0.000 0.208 212 K C -0.218 176.306 176.600 -0.127 0.000 1.048 212 K CA 1.249 57.472 56.287 -0.107 0.000 0.929 212 K CB 0.253 32.709 32.500 -0.075 0.000 0.713 212 K HN 0.507 nan 8.250 nan 0.000 0.439 213 T N 3.793 118.259 114.554 -0.146 0.000 3.009 213 T HA 0.293 4.643 4.350 -0.001 0.000 0.346 213 T C -2.817 171.745 174.700 -0.231 0.000 1.092 213 T CA -1.447 60.563 62.100 -0.150 0.000 1.080 213 T CB 1.871 70.695 68.868 -0.073 0.000 1.037 213 T HN 0.128 nan 8.240 nan 0.000 0.487 214 P HA 0.344 nan 4.420 nan 0.000 0.279 214 P C -0.643 176.307 177.300 -0.584 0.000 1.239 214 P CA -0.687 61.941 63.100 -0.787 0.000 0.789 214 P CB 0.838 31.436 31.700 -1.838 0.000 0.933 215 M N 2.349 121.713 119.600 -0.393 0.000 2.464 215 M HA 0.683 5.162 4.480 -0.001 0.000 0.308 215 M C -0.960 175.280 176.300 -0.100 0.000 1.127 215 M CA -0.331 54.801 55.300 -0.279 0.000 0.913 215 M CB 2.316 34.798 32.600 -0.197 0.000 1.689 215 M HN 0.565 nan 8.290 nan 0.000 0.445 216 G N 3.573 112.418 108.800 0.075 0.000 2.642 216 G HA2 0.845 4.805 3.960 -0.001 0.000 0.293 216 G HA3 0.845 4.805 3.960 -0.001 0.000 0.293 216 G C -1.973 173.014 174.900 0.145 0.000 1.341 216 G CA -0.653 44.525 45.100 0.130 0.000 0.916 216 G HN 0.814 nan 8.290 nan 0.000 0.474 217 F N -0.651 119.275 119.950 -0.040 0.000 2.678 217 F HA 0.765 5.292 4.527 -0.001 0.000 0.308 217 F C -0.262 175.531 175.800 -0.012 0.000 1.118 217 F CA -1.398 56.575 58.000 -0.044 0.000 0.959 217 F CB 1.369 40.326 39.000 -0.072 0.000 1.305 217 F HN 0.619 nan 8.300 nan 0.000 0.443 218 S N 1.216 117.025 115.700 0.181 0.000 2.541 218 S HA 0.590 5.060 4.470 -0.001 0.000 0.283 218 S C -1.503 173.316 174.600 0.364 0.000 1.196 218 S CA -0.563 57.727 58.200 0.150 0.000 1.062 218 S CB 1.505 64.755 63.200 0.083 0.000 1.009 218 S HN 0.818 nan 8.310 nan 0.000 0.502 219 Y N 1.602 122.037 120.300 0.226 0.000 2.328 219 Y HA 0.448 4.997 4.550 -0.001 0.000 0.333 219 Y C -0.951 175.080 175.900 0.218 0.000 0.958 219 Y CA -0.925 57.360 58.100 0.308 0.000 1.167 219 Y CB 1.320 40.072 38.460 0.486 0.000 1.151 219 Y HN 0.847 nan 8.280 nan 0.000 0.470 220 D N 4.449 124.695 120.400 -0.257 0.000 2.427 220 D HA 0.224 4.863 4.640 -0.001 0.000 0.226 220 D C -0.733 175.419 176.300 -0.245 0.000 1.076 220 D CA -0.129 53.786 54.000 -0.142 0.000 0.849 220 D CB 0.934 41.688 40.800 -0.078 0.000 1.052 220 D HN 0.464 nan 8.370 nan 0.000 0.515 221 T N 3.508 118.069 114.554 0.012 0.000 2.901 221 T HA 0.115 4.464 4.350 -0.001 0.000 0.301 221 T C 0.475 175.251 174.700 0.126 0.000 1.012 221 T CA -0.353 61.832 62.100 0.141 0.000 1.135 221 T CB 0.610 69.788 68.868 0.518 0.000 0.936 221 T HN 0.304 nan 8.240 nan 0.000 0.539 222 R N 2.187 122.725 120.500 0.063 0.000 2.351 222 R HA 0.175 4.515 4.340 -0.001 0.000 0.318 222 R C -0.183 176.217 176.300 0.167 0.000 1.055 222 R CA -0.276 55.863 56.100 0.064 0.000 0.968 222 R CB -0.589 29.693 30.300 -0.030 0.000 0.974 222 R HN 0.929 nan 8.270 nan 0.000 0.439 223 C N 5.473 124.904 119.300 0.220 0.000 3.896 223 C HA -0.163 4.297 4.460 -0.001 0.000 0.300 223 C C 1.324 176.518 174.990 0.341 0.000 1.322 223 C CA 0.182 59.382 59.018 0.303 0.000 2.130 223 C CB -3.012 24.979 27.740 0.418 0.000 1.363 223 C HN 1.046 nan 8.230 nan 0.000 0.642 224 F N 1.893 121.959 119.950 0.193 0.000 2.063 224 F HA -0.219 4.307 4.527 -0.001 0.000 0.298 224 F C 1.984 177.893 175.800 0.181 0.000 1.109 224 F CA 2.441 60.554 58.000 0.188 0.000 1.212 224 F CB 0.018 39.116 39.000 0.164 0.000 0.973 224 F HN 0.467 nan 8.300 nan 0.000 0.480 225 D N -0.407 120.232 120.400 0.399 0.000 2.158 225 D HA -0.175 4.465 4.640 -0.001 0.000 0.197 225 D C 2.444 178.804 176.300 0.100 0.000 0.995 225 D CA 1.654 55.815 54.000 0.268 0.000 0.846 225 D CB -0.560 40.398 40.800 0.263 0.000 0.941 225 D HN 0.256 nan 8.370 nan 0.000 0.456 226 S N -0.450 115.321 115.700 0.118 0.000 2.423 226 S HA -0.106 4.364 4.470 -0.001 0.000 0.231 226 S C 2.055 176.611 174.600 -0.074 0.000 1.014 226 S CA 1.419 59.592 58.200 -0.045 0.000 0.965 226 S CB -0.220 62.920 63.200 -0.101 0.000 0.785 226 S HN 0.541 nan 8.310 nan 0.000 0.495 227 T N -0.336 114.246 114.554 0.047 0.000 3.055 227 T HA 0.110 4.460 4.350 -0.001 0.000 0.265 227 T C 0.620 175.241 174.700 -0.132 0.000 1.111 227 T CA 0.067 62.182 62.100 0.025 0.000 1.118 227 T CB -0.441 68.396 68.868 -0.051 0.000 0.909 227 T HN 0.034 nan 8.240 nan 0.000 0.501 228 V N 4.085 123.885 119.914 -0.189 0.000 2.450 228 V HA 0.285 4.404 4.120 -0.001 0.000 0.281 228 V C 1.191 177.232 176.094 -0.087 0.000 1.019 228 V CA -0.149 62.069 62.300 -0.137 0.000 1.062 228 V CB -0.089 31.700 31.823 -0.057 0.000 0.979 228 V HN 0.725 nan 8.190 nan 0.000 0.477 229 T N 1.125 115.638 114.554 -0.067 0.000 2.881 229 T HA 0.353 4.703 4.350 -0.001 0.000 0.278 229 T C 0.970 175.646 174.700 -0.041 0.000 0.982 229 T CA -0.607 61.457 62.100 -0.060 0.000 0.989 229 T CB 1.335 70.172 68.868 -0.052 0.000 1.058 229 T HN 0.625 nan 8.240 nan 0.000 0.529 230 E N 0.486 120.663 120.200 -0.039 0.000 2.077 230 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 230 E C 2.439 179.034 176.600 -0.008 0.000 0.989 230 E CA 1.540 57.929 56.400 -0.018 0.000 0.800 230 E CB -0.202 29.487 29.700 -0.019 0.000 0.746 230 E HN 0.806 nan 8.360 nan 0.000 0.452 231 S N 1.182 116.871 115.700 -0.018 0.000 2.383 231 S HA -0.187 4.282 4.470 -0.001 0.000 0.227 231 S C 1.519 176.117 174.600 -0.004 0.000 1.026 231 S CA 1.217 59.410 58.200 -0.012 0.000 0.981 231 S CB -0.196 62.990 63.200 -0.023 0.000 0.818 231 S HN 0.092 nan 8.310 nan 0.000 0.472 232 D N 1.946 122.340 120.400 -0.010 0.000 2.123 232 D HA -0.023 4.616 4.640 -0.001 0.000 0.196 232 D C 1.875 178.180 176.300 0.009 0.000 0.992 232 D CA 1.275 55.281 54.000 0.010 0.000 0.833 232 D CB -0.368 40.435 40.800 0.005 0.000 0.954 232 D HN 0.481 nan 8.370 nan 0.000 0.455 233 I N 0.407 120.984 120.570 0.011 0.000 2.353 233 I HA -0.146 4.023 4.170 -0.001 0.000 0.248 233 I C 2.414 178.537 176.117 0.011 0.000 1.119 233 I CA 0.679 61.994 61.300 0.024 0.000 1.417 233 I CB -0.034 38.003 38.000 0.062 0.000 1.078 233 I HN -0.129 nan 8.210 nan 0.000 0.421 234 R N -0.024 120.484 120.500 0.012 0.000 2.115 234 R HA -0.095 4.244 4.340 -0.001 0.000 0.230 234 R C 2.220 178.504 176.300 -0.026 0.000 1.111 234 R CA 1.605 57.708 56.100 0.005 0.000 0.976 234 R CB -0.487 29.820 30.300 0.012 0.000 0.870 234 R HN 0.300 nan 8.270 nan 0.000 0.445 235 T N 0.827 115.366 114.554 -0.024 0.000 2.821 235 T HA -0.098 4.251 4.350 -0.001 0.000 0.267 235 T C 1.422 176.041 174.700 -0.135 0.000 1.046 235 T CA 1.152 63.231 62.100 -0.034 0.000 1.139 235 T CB -0.017 68.871 68.868 0.033 0.000 0.871 235 T HN 0.354 nan 8.240 nan 0.000 0.454 236 E N 0.832 120.914 120.200 -0.197 0.000 2.085 236 E HA -0.159 4.191 4.350 -0.001 0.000 0.194 236 E C 2.353 178.433 176.600 -0.866 0.000 0.994 236 E CA 0.844 56.956 56.400 -0.480 0.000 0.801 236 E CB -0.061 29.415 29.700 -0.374 0.000 0.743 236 E HN 0.374 nan 8.360 nan 0.000 0.453 237 E N 0.847 120.785 120.200 -0.437 0.000 2.085 237 E HA -0.214 4.135 4.350 -0.001 0.000 0.194 237 E C 2.056 178.581 176.600 -0.126 0.000 0.994 237 E CA 1.213 57.495 56.400 -0.198 0.000 0.801 237 E CB -0.077 29.643 29.700 0.033 0.000 0.743 237 E HN 0.217 nan 8.360 nan 0.000 0.453 238 A N 1.027 123.782 122.820 -0.109 0.000 1.933 238 A HA -0.153 4.167 4.320 -0.001 0.000 0.218 238 A C 2.329 179.879 177.584 -0.056 0.000 1.175 238 A CA 1.338 53.346 52.037 -0.049 0.000 0.628 238 A CB -0.585 18.397 19.000 -0.031 0.000 0.814 238 A HN 0.306 nan 8.150 nan 0.000 0.444 239 I N -1.671 118.816 120.570 -0.138 0.000 2.202 239 I HA -0.241 3.928 4.170 -0.001 0.000 0.242 239 I C 2.278 178.403 176.117 0.012 0.000 1.091 239 I CA 1.127 62.370 61.300 -0.095 0.000 1.368 239 I CB -0.488 37.422 38.000 -0.150 0.000 1.058 239 I HN 0.358 nan 8.210 nan 0.000 0.410 240 Y N 1.088 121.397 120.300 0.015 0.000 2.207 240 Y HA -0.242 4.308 4.550 -0.000 0.000 0.287 240 Y C 2.594 178.507 175.900 0.021 0.000 1.156 240 Y CA 0.751 58.861 58.100 0.017 0.000 1.182 240 Y CB -1.074 37.410 38.460 0.040 0.000 0.979 240 Y HN 0.277 nan 8.280 nan 0.000 0.521 241 Q N -1.382 118.516 119.800 0.163 0.000 2.488 241 Q HA -0.080 4.260 4.340 -0.001 0.000 0.211 241 Q C 2.211 178.251 176.000 0.066 0.000 0.967 241 Q CA 0.728 56.593 55.803 0.103 0.000 0.926 241 Q CB -0.621 28.161 28.738 0.073 0.000 0.992 241 Q HN 0.520 nan 8.270 nan 0.000 0.506 242 C N 0.193 119.528 119.300 0.058 0.000 2.448 242 C HA -0.015 4.444 4.460 -0.001 0.000 0.280 242 C C 1.573 176.585 174.990 0.037 0.000 1.398 242 C CA -0.663 58.377 59.018 0.037 0.000 1.774 242 C CB -0.682 27.072 27.740 0.023 0.000 1.888 242 C HN 0.411 nan 8.230 nan 0.000 0.519 243 C N 1.681 121.012 119.300 0.052 0.000 2.700 243 C HA 0.176 4.636 4.460 -0.001 0.000 0.397 243 C C 0.497 175.509 174.990 0.036 0.000 1.301 243 C CA -0.286 58.756 59.018 0.040 0.000 2.219 243 C CB -0.340 27.427 27.740 0.046 0.000 2.699 243 C HN 0.525 nan 8.230 nan 0.000 0.669 244 D N 1.326 121.742 120.400 0.027 0.000 2.338 244 D HA 0.452 5.091 4.640 -0.001 0.000 0.255 244 D C -0.588 175.732 176.300 0.032 0.000 1.237 244 D CA 0.399 54.415 54.000 0.026 0.000 0.883 244 D CB 0.053 40.864 40.800 0.019 0.000 1.087 244 D HN 0.375 nan 8.370 nan 0.000 0.485 245 L N 2.458 123.704 121.223 0.040 0.000 2.333 245 L HA 0.391 4.731 4.340 -0.001 0.000 0.263 245 L C 0.399 177.299 176.870 0.050 0.000 1.014 245 L CA -1.248 53.622 54.840 0.049 0.000 0.820 245 L CB 1.780 43.876 42.059 0.062 0.000 1.352 245 L HN 0.366 nan 8.230 nan 0.000 0.421 246 D N 1.307 121.744 120.400 0.061 0.000 2.414 246 D HA 0.064 4.704 4.640 -0.001 0.000 0.242 246 D C -1.861 174.482 176.300 0.072 0.000 1.129 246 D CA -1.222 52.817 54.000 0.066 0.000 0.885 246 D CB 2.064 42.912 40.800 0.079 0.000 1.198 246 D HN 0.212 nan 8.370 nan 0.000 0.437 247 P HA -0.144 nan 4.420 nan 0.000 0.216 247 P C 1.150 178.486 177.300 0.061 0.000 1.150 247 P CA 1.348 64.478 63.100 0.050 0.000 0.837 247 P CB 0.221 31.944 31.700 0.039 0.000 0.786 248 Q N -0.987 118.873 119.800 0.101 0.000 2.119 248 Q HA -0.098 4.242 4.340 -0.001 0.000 0.201 248 Q C 2.208 178.297 176.000 0.149 0.000 0.972 248 Q CA 1.428 57.311 55.803 0.134 0.000 0.847 248 Q CB -0.602 28.307 28.738 0.285 0.000 0.903 248 Q HN 0.173 nan 8.270 nan 0.000 0.433 249 A N 1.412 124.351 122.820 0.198 0.000 1.908 249 A HA -0.217 4.102 4.320 -0.001 0.000 0.218 249 A C 1.995 179.637 177.584 0.098 0.000 1.181 249 A CA 1.308 53.461 52.037 0.195 0.000 0.627 249 A CB -0.402 18.697 19.000 0.165 0.000 0.818 249 A HN 0.227 nan 8.150 nan 0.000 0.445 250 R N -0.702 119.840 120.500 0.070 0.000 2.081 250 R HA -0.089 4.251 4.340 -0.001 0.000 0.235 250 R C 2.039 178.348 176.300 0.015 0.000 1.131 250 R CA 1.498 57.628 56.100 0.051 0.000 0.960 250 R CB -0.588 29.737 30.300 0.042 0.000 0.856 250 R HN 0.425 nan 8.270 nan 0.000 0.436 251 V N 0.970 120.871 119.914 -0.023 0.000 2.307 251 V HA -0.204 3.915 4.120 -0.001 0.000 0.245 251 V C 2.486 178.498 176.094 -0.136 0.000 1.045 251 V CA 1.925 64.178 62.300 -0.078 0.000 1.024 251 V CB -0.728 31.028 31.823 -0.112 0.000 0.651 251 V HN 0.381 nan 8.190 nan 0.000 0.449 252 A N -0.051 122.646 122.820 -0.206 0.000 1.902 252 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 252 A C 2.193 179.711 177.584 -0.110 0.000 1.181 252 A CA 1.903 53.758 52.037 -0.303 0.000 0.623 252 A CB -0.577 18.106 19.000 -0.528 0.000 0.818 252 A HN 0.505 nan 8.150 nan 0.000 0.443 253 I N -0.631 119.941 120.570 0.003 0.000 2.226 253 I HA -0.270 3.900 4.170 -0.001 0.000 0.245 253 I C 2.536 178.703 176.117 0.083 0.000 1.100 253 I CA 1.908 63.264 61.300 0.094 0.000 1.374 253 I CB -0.175 37.917 38.000 0.153 0.000 1.057 253 I HN 0.300 nan 8.210 nan 0.000 0.413 254 K N 1.111 121.533 120.400 0.037 0.000 2.057 254 K HA -0.117 4.203 4.320 -0.001 0.000 0.207 254 K C 2.117 178.700 176.600 -0.028 0.000 1.049 254 K CA 1.901 58.200 56.287 0.020 0.000 0.931 254 K CB -0.318 32.184 32.500 0.002 0.000 0.714 254 K HN 0.107 nan 8.250 nan 0.000 0.440 255 S N 0.654 116.307 115.700 -0.079 0.000 2.368 255 S HA -0.064 4.405 4.470 -0.001 0.000 0.225 255 S C 1.820 176.329 174.600 -0.152 0.000 1.030 255 S CA 1.377 59.507 58.200 -0.116 0.000 0.999 255 S CB -0.344 62.759 63.200 -0.162 0.000 0.844 255 S HN 0.256 nan 8.310 nan 0.000 0.459 256 L N 0.995 122.103 121.223 -0.191 0.000 2.083 256 L HA -0.138 4.201 4.340 -0.001 0.000 0.209 256 L C 2.680 179.246 176.870 -0.507 0.000 1.083 256 L CA 1.163 55.767 54.840 -0.393 0.000 0.752 256 L CB -1.048 40.761 42.059 -0.416 0.000 0.899 256 L HN 0.318 nan 8.230 nan 0.000 0.433 257 T N -1.031 113.428 114.554 -0.157 0.000 2.674 257 T HA -0.153 4.197 4.350 -0.001 0.000 0.265 257 T C 1.784 176.483 174.700 -0.001 0.000 1.039 257 T CA 1.178 63.312 62.100 0.058 0.000 1.150 257 T CB -0.092 68.885 68.868 0.183 0.000 0.864 257 T HN 0.260 nan 8.240 nan 0.000 0.427 258 E N 0.937 121.122 120.200 -0.024 0.000 2.208 258 E HA 0.011 4.361 4.350 -0.001 0.000 0.193 258 E C 2.244 178.824 176.600 -0.034 0.000 0.988 258 E CA 0.775 57.166 56.400 -0.016 0.000 0.828 258 E CB -0.068 29.623 29.700 -0.016 0.000 0.763 258 E HN 0.463 nan 8.360 nan 0.000 0.478 259 R N -0.641 119.811 120.500 -0.081 0.000 2.265 259 R HA 0.139 4.479 4.340 -0.001 0.000 0.194 259 R C 1.650 177.890 176.300 -0.099 0.000 0.931 259 R CA 0.178 56.232 56.100 -0.077 0.000 1.032 259 R CB 0.408 30.655 30.300 -0.088 0.000 0.980 259 R HN 0.018 nan 8.270 nan 0.000 0.497 260 L N -2.285 118.842 121.223 -0.159 0.000 2.678 260 L HA 0.198 4.538 4.340 -0.001 0.000 0.187 260 L C 1.170 178.031 176.870 -0.015 0.000 1.073 260 L CA 0.721 55.469 54.840 -0.153 0.000 0.883 260 L CB -0.284 41.597 42.059 -0.298 0.000 1.501 260 L HN -0.149 nan 8.230 nan 0.000 0.488 261 Y N -0.364 119.958 120.300 0.037 0.000 2.181 261 Y HA -0.051 4.499 4.550 -0.001 0.000 0.288 261 Y C 2.718 178.631 175.900 0.021 0.000 1.146 261 Y CA 1.445 59.575 58.100 0.050 0.000 1.164 261 Y CB -1.105 37.409 38.460 0.091 0.000 0.982 261 Y HN 0.088 nan 8.280 nan 0.000 0.515 262 V N -0.900 119.105 119.914 0.151 0.000 3.041 262 V HA 0.262 4.382 4.120 -0.001 0.000 0.260 262 V C 0.924 177.037 176.094 0.031 0.000 1.105 262 V CA 1.429 63.777 62.300 0.080 0.000 1.125 262 V CB -0.477 31.382 31.823 0.060 0.000 0.730 262 V HN 0.566 nan 8.190 nan 0.000 0.479 263 G N -2.318 106.487 108.800 0.008 0.000 2.359 263 G HA2 0.531 4.491 3.960 -0.001 0.000 0.293 263 G HA3 0.531 4.491 3.960 -0.001 0.000 0.293 263 G C -0.371 174.423 174.900 -0.176 0.000 1.300 263 G CA -0.125 44.934 45.100 -0.068 0.000 0.888 263 G HN 1.214 nan 8.290 nan 0.000 0.541 264 G N -1.069 107.399 108.800 -0.553 0.000 2.337 264 G HA2 0.679 4.638 3.960 -0.001 0.000 0.298 264 G HA3 0.679 4.638 3.960 -0.001 0.000 0.298 264 G C -3.491 170.670 174.900 -1.231 0.000 1.335 264 G CA 0.217 44.801 45.100 -0.861 0.000 0.875 264 G HN 0.888 nan 8.290 nan 0.000 0.579 265 P HA 0.510 nan 4.420 nan 0.000 0.275 265 P C -0.537 176.632 177.300 -0.218 0.000 1.228 265 P CA -0.211 62.645 63.100 -0.407 0.000 0.786 265 P CB 1.065 32.713 31.700 -0.086 0.000 0.927 266 L N 2.075 123.235 121.223 -0.104 0.000 2.313 266 L HA 0.483 4.823 4.340 -0.001 0.000 0.283 266 L C 0.381 177.251 176.870 -0.000 0.000 1.013 266 L CA -0.213 54.607 54.840 -0.035 0.000 0.816 266 L CB 1.677 43.766 42.059 0.051 0.000 1.236 266 L HN 0.261 nan 8.230 nan 0.000 0.419 267 T N 1.299 115.830 114.554 -0.037 0.000 2.841 267 T HA 0.350 4.699 4.350 -0.001 0.000 0.283 267 T C -0.203 174.472 174.700 -0.041 0.000 1.000 267 T CA -0.845 61.237 62.100 -0.030 0.000 0.977 267 T CB 1.546 70.382 68.868 -0.053 0.000 0.979 267 T HN 0.652 nan 8.240 nan 0.000 0.446 268 N N 0.627 119.318 118.700 -0.014 0.000 2.364 268 N HA 0.131 4.871 4.740 -0.001 0.000 0.264 268 N C 1.420 176.914 175.510 -0.028 0.000 1.263 268 N CA -0.330 52.711 53.050 -0.016 0.000 0.959 268 N CB 0.069 38.557 38.487 0.002 0.000 1.204 268 N HN 0.454 nan 8.380 nan 0.000 0.550 269 S N -1.109 114.583 115.700 -0.012 0.000 2.474 269 S HA -0.076 4.394 4.470 -0.001 0.000 0.235 269 S C 1.171 175.762 174.600 -0.015 0.000 0.997 269 S CA 0.456 58.652 58.200 -0.007 0.000 0.949 269 S CB -0.394 62.816 63.200 0.016 0.000 0.766 269 S HN 0.610 nan 8.310 nan 0.000 0.517 270 R N 0.539 121.031 120.500 -0.014 0.000 2.334 270 R HA 0.322 4.662 4.340 -0.001 0.000 0.216 270 R C 1.447 177.734 176.300 -0.021 0.000 0.905 270 R CA 0.378 56.469 56.100 -0.015 0.000 1.064 270 R CB 0.021 30.317 30.300 -0.007 0.000 1.046 270 R HN 0.553 nan 8.270 nan 0.000 0.508 271 G N 1.392 110.175 108.800 -0.028 0.000 2.157 271 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.248 271 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.248 271 G C -0.256 174.635 174.900 -0.015 0.000 0.979 271 G CA -0.220 44.861 45.100 -0.032 0.000 0.650 271 G HN 0.393 nan 8.290 nan 0.000 0.529 272 E N 0.442 120.639 120.200 -0.004 0.000 2.331 272 E HA 0.343 4.693 4.350 -0.001 0.000 0.272 272 E C 0.207 176.821 176.600 0.023 0.000 1.036 272 E CA -0.674 55.733 56.400 0.011 0.000 0.864 272 E CB 0.638 30.347 29.700 0.015 0.000 1.035 272 E HN 0.205 nan 8.360 nan 0.000 0.408 273 N N 2.157 120.878 118.700 0.036 0.000 2.416 273 N HA -0.022 4.718 4.740 -0.001 0.000 0.265 273 N C -0.316 175.247 175.510 0.089 0.000 1.195 273 N CA -0.034 53.050 53.050 0.056 0.000 0.943 273 N CB 0.348 38.870 38.487 0.059 0.000 1.115 273 N HN 0.435 nan 8.380 nan 0.000 0.481 274 C N 2.112 121.483 119.300 0.118 0.000 2.551 274 C HA 0.549 5.008 4.460 -0.001 0.000 0.277 274 C C 1.280 176.462 174.990 0.319 0.000 1.349 274 C CA 0.615 59.758 59.018 0.208 0.000 1.750 274 C CB -1.226 26.652 27.740 0.229 0.000 2.058 274 C HN 0.894 nan 8.230 nan 0.000 0.518 275 G N -1.694 107.224 108.800 0.197 0.000 2.368 275 G HA2 0.331 4.291 3.960 -0.001 0.000 0.269 275 G HA3 0.331 4.291 3.960 -0.001 0.000 0.269 275 G C -2.216 172.723 174.900 0.065 0.000 1.291 275 G CA -0.432 44.738 45.100 0.116 0.000 0.903 275 G HN 0.027 nan 8.290 nan 0.000 0.483 276 Y N 0.516 120.712 120.300 -0.174 0.000 2.457 276 Y HA 0.745 5.295 4.550 -0.001 0.000 0.343 276 Y C 0.083 175.862 175.900 -0.201 0.000 0.994 276 Y CA -0.866 57.151 58.100 -0.138 0.000 1.031 276 Y CB 2.026 40.416 38.460 -0.117 0.000 1.246 276 Y HN 0.703 nan 8.280 nan 0.000 0.449 277 R N 4.716 125.058 120.500 -0.264 0.000 2.407 277 R HA 0.567 4.907 4.340 -0.001 0.000 0.303 277 R C -0.762 175.401 176.300 -0.229 0.000 0.981 277 R CA -0.583 55.325 56.100 -0.321 0.000 0.905 277 R CB 0.919 31.078 30.300 -0.236 0.000 1.099 277 R HN 0.886 nan 8.270 nan 0.000 0.459 278 R N 3.533 123.834 120.500 -0.332 0.000 2.698 278 R HA 0.218 4.557 4.340 -0.001 0.000 0.422 278 R C -0.724 175.434 176.300 -0.237 0.000 1.073 278 R CA -0.305 55.684 56.100 -0.185 0.000 1.054 278 R CB 0.493 30.728 30.300 -0.109 0.000 1.373 278 R HN 0.813 nan 8.270 nan 0.000 0.593 279 C N -1.946 117.176 119.300 -0.296 0.000 3.311 279 C HA 0.597 5.057 4.460 -0.001 0.000 0.366 279 C C -0.262 174.662 174.990 -0.110 0.000 1.694 279 C CA -1.478 57.406 59.018 -0.224 0.000 1.244 279 C CB 1.258 28.795 27.740 -0.337 0.000 2.038 279 C HN 0.432 nan 8.230 nan 0.000 0.436 280 R N 1.276 121.759 120.500 -0.028 0.000 2.502 280 R HA 0.469 4.808 4.340 -0.001 0.000 0.292 280 R C 0.141 176.497 176.300 0.093 0.000 0.998 280 R CA 0.999 57.135 56.100 0.061 0.000 1.056 280 R CB -0.094 30.279 30.300 0.122 0.000 0.939 280 R HN 1.238 nan 8.270 nan 0.000 0.411 281 A N 3.652 126.544 122.820 0.119 0.000 2.409 281 A HA 0.210 4.530 4.320 -0.001 0.000 0.262 281 A C 0.938 178.624 177.584 0.169 0.000 1.113 281 A CA 0.100 52.231 52.037 0.156 0.000 0.790 281 A CB 0.423 19.527 19.000 0.172 0.000 1.046 281 A HN 1.013 nan 8.150 nan 0.000 0.496 282 S N 1.907 117.721 115.700 0.190 0.000 2.527 282 S HA 0.123 4.592 4.470 -0.001 0.000 0.222 282 S C 1.035 175.736 174.600 0.168 0.000 0.985 282 S CA 0.612 58.920 58.200 0.179 0.000 0.921 282 S CB 0.133 63.446 63.200 0.188 0.000 0.772 282 S HN 1.255 nan 8.310 nan 0.000 0.529 283 G N 1.917 110.838 108.800 0.203 0.000 4.644 283 G HA2 0.527 4.487 3.960 -0.001 0.000 0.307 283 G HA3 0.527 4.487 3.960 -0.001 0.000 0.307 283 G C -0.192 174.837 174.900 0.216 0.000 1.331 283 G CA -0.157 45.069 45.100 0.209 0.000 1.059 283 G HN 0.562 nan 8.290 nan 0.000 0.590 284 V N -2.414 117.607 119.914 0.179 0.000 3.046 284 V HA 0.582 4.702 4.120 -0.001 0.000 0.316 284 V C 1.333 177.501 176.094 0.123 0.000 1.104 284 V CA -0.965 61.453 62.300 0.197 0.000 1.006 284 V CB 1.746 33.740 31.823 0.285 0.000 1.058 284 V HN 0.069 nan 8.190 nan 0.000 0.440 285 L N 2.407 123.717 121.223 0.144 0.000 2.127 285 L HA -0.050 4.290 4.340 -0.001 0.000 0.211 285 L C 2.275 179.158 176.870 0.022 0.000 1.089 285 L CA 3.049 57.957 54.840 0.114 0.000 0.757 285 L CB -0.677 41.477 42.059 0.159 0.000 0.899 285 L HN 1.096 nan 8.230 nan 0.000 0.434 286 T N -6.258 108.229 114.554 -0.111 0.000 3.129 286 T HA 0.011 4.360 4.350 -0.001 0.000 0.251 286 T C 1.589 176.233 174.700 -0.093 0.000 1.117 286 T CA 0.685 62.672 62.100 -0.189 0.000 1.034 286 T CB -0.612 67.979 68.868 -0.461 0.000 0.968 286 T HN 0.240 nan 8.240 nan 0.000 0.526 287 T N 2.008 116.541 114.554 -0.034 0.000 2.652 287 T HA -0.161 4.189 4.350 -0.001 0.000 0.267 287 T C 2.200 176.930 174.700 0.049 0.000 1.039 287 T CA 1.836 63.956 62.100 0.033 0.000 1.153 287 T CB -0.618 68.293 68.868 0.072 0.000 0.863 287 T HN 0.536 nan 8.240 nan 0.000 0.428 288 S N -0.363 115.347 115.700 0.017 0.000 2.355 288 S HA -0.134 4.335 4.470 -0.001 0.000 0.222 288 S C 2.452 177.090 174.600 0.062 0.000 1.031 288 S CA 1.316 59.530 58.200 0.022 0.000 0.993 288 S CB -0.919 62.211 63.200 -0.116 0.000 0.859 288 S HN 0.677 nan 8.310 nan 0.000 0.453 289 C N 1.328 120.633 119.300 0.008 0.000 2.432 289 C HA 0.073 4.533 4.460 -0.001 0.000 0.277 289 C C 2.820 177.861 174.990 0.086 0.000 1.249 289 C CA 1.209 60.240 59.018 0.022 0.000 1.725 289 C CB -1.781 25.937 27.740 -0.035 0.000 2.028 289 C HN 0.705 nan 8.230 nan 0.000 0.477 290 G N 0.414 109.275 108.800 0.102 0.000 2.421 290 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.216 290 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.216 290 G C 1.519 176.515 174.900 0.160 0.000 1.171 290 G CA 1.060 46.237 45.100 0.128 0.000 0.775 290 G HN 0.594 nan 8.290 nan 0.000 0.543 291 N N 0.452 119.251 118.700 0.164 0.000 2.120 291 N HA -0.079 4.660 4.740 -0.001 0.000 0.188 291 N C 2.415 177.979 175.510 0.090 0.000 1.024 291 N CA 1.607 54.767 53.050 0.183 0.000 0.852 291 N CB -0.814 37.690 38.487 0.027 0.000 1.003 291 N HN 0.227 nan 8.380 nan 0.000 0.424 292 T N 1.803 116.412 114.554 0.093 0.000 2.684 292 T HA -0.045 4.304 4.350 -0.001 0.000 0.267 292 T C 2.120 176.899 174.700 0.132 0.000 1.036 292 T CA 0.800 62.965 62.100 0.109 0.000 1.148 292 T CB -0.301 68.684 68.868 0.195 0.000 0.863 292 T HN 0.135 nan 8.240 nan 0.000 0.436 293 L N 0.453 121.744 121.223 0.113 0.000 2.027 293 L HA -0.101 4.238 4.340 -0.001 0.000 0.206 293 L C 2.968 179.950 176.870 0.187 0.000 1.074 293 L CA 1.239 56.149 54.840 0.116 0.000 0.745 293 L CB -0.946 41.148 42.059 0.059 0.000 0.898 293 L HN 0.268 nan 8.230 nan 0.000 0.433 294 T N -1.354 113.322 114.554 0.204 0.000 2.777 294 T HA -0.225 4.125 4.350 -0.001 0.000 0.266 294 T C 2.014 176.907 174.700 0.322 0.000 1.040 294 T CA 1.399 63.645 62.100 0.244 0.000 1.141 294 T CB -0.415 68.617 68.868 0.273 0.000 0.868 294 T HN 0.448 nan 8.240 nan 0.000 0.444 295 C N 0.699 120.240 119.300 0.402 0.000 2.432 295 C HA -0.102 4.357 4.460 -0.001 0.000 0.277 295 C C 2.391 177.536 174.990 0.257 0.000 1.249 295 C CA 0.630 59.868 59.018 0.367 0.000 1.725 295 C CB -1.393 26.442 27.740 0.159 0.000 2.028 295 C HN 0.660 nan 8.230 nan 0.000 0.477 296 Y N 1.425 121.786 120.300 0.101 0.000 2.128 296 Y HA -0.124 4.426 4.550 -0.000 0.000 0.284 296 Y C 2.063 177.984 175.900 0.034 0.000 1.154 296 Y CA 2.209 60.346 58.100 0.062 0.000 1.149 296 Y CB -0.487 37.991 38.460 0.030 0.000 0.976 296 Y HN 0.364 nan 8.280 nan 0.000 0.505 297 I N 0.333 120.908 120.570 0.008 0.000 2.163 297 I HA -0.348 3.821 4.170 -0.001 0.000 0.243 297 I C 2.374 178.364 176.117 -0.212 0.000 1.085 297 I CA 1.858 63.037 61.300 -0.200 0.000 1.347 297 I CB -0.440 37.447 38.000 -0.188 0.000 1.044 297 I HN 0.175 nan 8.210 nan 0.000 0.408 298 K N 0.786 121.162 120.400 -0.040 0.000 2.057 298 K HA -0.120 4.199 4.320 -0.001 0.000 0.207 298 K C 2.280 178.918 176.600 0.063 0.000 1.049 298 K CA 1.513 57.817 56.287 0.028 0.000 0.931 298 K CB -0.282 32.319 32.500 0.169 0.000 0.714 298 K HN 0.317 nan 8.250 nan 0.000 0.440 299 A N 1.515 124.363 122.820 0.046 0.000 1.898 299 A HA -0.171 4.149 4.320 -0.001 0.000 0.216 299 A C 2.116 179.748 177.584 0.081 0.000 1.181 299 A CA 1.434 53.541 52.037 0.116 0.000 0.620 299 A CB -0.438 18.698 19.000 0.226 0.000 0.819 299 A HN 0.220 nan 8.150 nan 0.000 0.442 300 R N -0.361 120.052 120.500 -0.144 0.000 2.081 300 R HA -0.091 4.249 4.340 -0.001 0.000 0.235 300 R C 2.229 178.473 176.300 -0.093 0.000 1.131 300 R CA 1.527 57.504 56.100 -0.206 0.000 0.960 300 R CB -0.381 29.599 30.300 -0.533 0.000 0.856 300 R HN 0.428 nan 8.270 nan 0.000 0.436 301 A N 0.425 123.199 122.820 -0.075 0.000 1.929 301 A HA -0.001 4.319 4.320 -0.001 0.000 0.216 301 A C 2.315 179.953 177.584 0.090 0.000 1.176 301 A CA 1.375 53.427 52.037 0.025 0.000 0.628 301 A CB -0.667 18.358 19.000 0.042 0.000 0.816 301 A HN 0.521 nan 8.150 nan 0.000 0.444 302 A N -0.898 121.994 122.820 0.121 0.000 1.933 302 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 302 A C 2.272 179.888 177.584 0.054 0.000 1.175 302 A CA 1.609 53.599 52.037 -0.079 0.000 0.628 302 A CB -1.308 17.343 19.000 -0.581 0.000 0.814 302 A HN 0.577 nan 8.150 nan 0.000 0.444 303 C N -0.827 118.609 119.300 0.227 0.000 2.401 303 C HA -0.138 4.322 4.460 -0.001 0.000 0.276 303 C C 2.910 177.917 174.990 0.029 0.000 1.233 303 C CA 1.280 60.436 59.018 0.231 0.000 1.753 303 C CB -1.351 26.483 27.740 0.157 0.000 2.029 303 C HN 0.613 nan 8.230 nan 0.000 0.478 304 R N 0.906 121.339 120.500 -0.113 0.000 2.073 304 R HA -0.101 4.239 4.340 -0.001 0.000 0.234 304 R C 2.397 178.469 176.300 -0.380 0.000 1.134 304 R CA 1.654 57.565 56.100 -0.316 0.000 0.952 304 R CB -0.551 29.397 30.300 -0.588 0.000 0.850 304 R HN 0.544 nan 8.270 nan 0.000 0.433 305 A N 1.107 123.720 122.820 -0.345 0.000 1.969 305 A HA -0.038 4.282 4.320 -0.001 0.000 0.218 305 A C 2.210 179.768 177.584 -0.042 0.000 1.169 305 A CA 1.578 53.535 52.037 -0.132 0.000 0.635 305 A CB -0.374 18.610 19.000 -0.027 0.000 0.810 305 A HN 0.394 nan 8.150 nan 0.000 0.445 306 A N -1.842 120.970 122.820 -0.015 0.000 2.169 306 A HA 0.409 4.729 4.320 -0.001 0.000 0.212 306 A C 1.799 179.400 177.584 0.029 0.000 1.153 306 A CA 1.187 53.245 52.037 0.036 0.000 0.756 306 A CB -0.844 18.240 19.000 0.140 0.000 0.813 306 A HN 1.860 nan 8.150 nan 0.000 0.471 307 G N -0.805 108.000 108.800 0.008 0.000 2.160 307 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.251 307 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.251 307 G C 0.054 174.964 174.900 0.018 0.000 1.008 307 G CA 0.272 45.377 45.100 0.008 0.000 0.724 307 G HN 0.446 nan 8.290 nan 0.000 0.514 308 L N 0.323 121.565 121.223 0.033 0.000 2.455 308 L HA 0.233 4.573 4.340 -0.001 0.000 0.272 308 L C 1.088 177.967 176.870 0.015 0.000 1.174 308 L CA 0.011 54.873 54.840 0.036 0.000 0.869 308 L CB 0.637 42.736 42.059 0.067 0.000 1.130 308 L HN 0.315 nan 8.230 nan 0.000 0.474 309 Q N 3.116 122.919 119.800 0.005 0.000 2.279 309 Q HA 0.124 4.463 4.340 -0.001 0.000 0.256 309 Q C -0.748 175.241 176.000 -0.018 0.000 0.937 309 Q CA -0.683 55.116 55.803 -0.007 0.000 0.933 309 Q CB 0.901 29.632 28.738 -0.011 0.000 1.189 309 Q HN 0.445 nan 8.270 nan 0.000 0.417 310 D N 1.125 121.515 120.400 -0.017 0.000 2.812 310 D HA -0.156 4.483 4.640 -0.001 0.000 0.237 310 D C -1.048 175.233 176.300 -0.031 0.000 1.162 310 D CA 0.487 54.472 54.000 -0.025 0.000 0.740 310 D CB -1.160 39.617 40.800 -0.039 0.000 1.000 310 D HN 0.503 nan 8.370 nan 0.000 0.416 311 C N 1.168 120.458 119.300 -0.017 0.000 2.482 311 C HA 0.362 4.822 4.460 -0.001 0.000 0.378 311 C C 1.109 176.094 174.990 -0.008 0.000 1.284 311 C CA -0.264 58.740 59.018 -0.024 0.000 1.826 311 C CB 0.428 28.161 27.740 -0.012 0.000 2.473 311 C HN 0.319 nan 8.230 nan 0.000 0.562 312 T N 6.312 120.853 114.554 -0.022 0.000 2.767 312 T HA 0.504 4.854 4.350 -0.001 0.000 0.284 312 T C -0.155 174.582 174.700 0.061 0.000 0.973 312 T CA -0.128 61.992 62.100 0.034 0.000 0.996 312 T CB 0.613 69.463 68.868 -0.030 0.000 0.927 312 T HN 0.537 nan 8.240 nan 0.000 0.456 313 M N 3.335 123.021 119.600 0.144 0.000 2.528 313 M HA 0.580 5.059 4.480 -0.001 0.000 0.321 313 M C -1.288 175.111 176.300 0.165 0.000 1.153 313 M CA -1.114 54.252 55.300 0.110 0.000 0.951 313 M CB 2.178 34.842 32.600 0.107 0.000 1.705 313 M HN 0.303 nan 8.290 nan 0.000 0.451 314 L N 3.207 124.472 121.223 0.070 0.000 2.372 314 L HA 0.654 4.994 4.340 -0.001 0.000 0.274 314 L C -1.389 175.433 176.870 -0.080 0.000 0.988 314 L CA -0.495 54.312 54.840 -0.056 0.000 0.833 314 L CB 1.812 43.831 42.059 -0.067 0.000 1.236 314 L HN 0.494 nan 8.230 nan 0.000 0.410 315 V N 4.012 123.862 119.914 -0.107 0.000 2.444 315 V HA 0.456 4.575 4.120 -0.001 0.000 0.294 315 V C -0.676 175.236 176.094 -0.303 0.000 1.022 315 V CA -0.495 61.744 62.300 -0.101 0.000 0.850 315 V CB 1.574 33.432 31.823 0.059 0.000 0.992 315 V HN 0.842 nan 8.190 nan 0.000 0.426 316 C N 4.868 123.931 119.300 -0.394 0.000 2.521 316 C HA 0.770 5.230 4.460 -0.001 0.000 0.291 316 C C 1.265 176.073 174.990 -0.303 0.000 1.074 316 C CA 0.030 58.587 59.018 -0.767 0.000 1.495 316 C CB -0.402 26.720 27.740 -1.030 0.000 1.862 316 C HN 1.375 nan 8.230 nan 0.000 0.418 317 G N 4.373 113.149 108.800 -0.042 0.000 2.596 317 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.304 317 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.304 317 G C 0.713 175.464 174.900 -0.249 0.000 1.189 317 G CA 0.902 46.003 45.100 0.002 0.000 0.986 317 G HN 0.711 nan 8.290 nan 0.000 0.548 318 D N 1.295 121.464 120.400 -0.385 0.000 2.340 318 D HA 0.107 4.747 4.640 -0.001 0.000 0.220 318 D C 0.385 176.540 176.300 -0.242 0.000 1.039 318 D CA 0.773 54.354 54.000 -0.698 0.000 0.866 318 D CB -0.088 40.269 40.800 -0.738 0.000 0.913 318 D HN 0.444 nan 8.370 nan 0.000 0.523 319 D N 0.676 120.992 120.400 -0.141 0.000 2.277 319 D HA 0.296 4.936 4.640 -0.001 0.000 0.249 319 D C -1.022 175.253 176.300 -0.041 0.000 1.134 319 D CA -0.543 53.421 54.000 -0.059 0.000 0.863 319 D CB 1.244 41.999 40.800 -0.075 0.000 1.143 319 D HN 0.024 nan 8.370 nan 0.000 0.458 320 L N 4.710 125.959 121.223 0.043 0.000 2.410 320 L HA 0.458 4.798 4.340 -0.001 0.000 0.270 320 L C -1.647 175.231 176.870 0.015 0.000 0.983 320 L CA -0.601 54.277 54.840 0.064 0.000 0.822 320 L CB 1.970 44.150 42.059 0.202 0.000 1.285 320 L HN 0.131 nan 8.230 nan 0.000 0.409 321 V N 5.275 125.149 119.914 -0.065 0.000 2.656 321 V HA 0.704 4.824 4.120 -0.001 0.000 0.307 321 V C -0.783 175.153 176.094 -0.265 0.000 1.051 321 V CA -0.640 61.565 62.300 -0.157 0.000 0.893 321 V CB 2.217 33.987 31.823 -0.088 0.000 0.999 321 V HN 0.541 nan 8.190 nan 0.000 0.426 322 V N 5.740 125.306 119.914 -0.579 0.000 2.656 322 V HA 0.591 4.710 4.120 -0.001 0.000 0.307 322 V C -0.542 175.281 176.094 -0.452 0.000 1.051 322 V CA -0.483 61.444 62.300 -0.622 0.000 0.893 322 V CB 2.057 33.205 31.823 -1.125 0.000 0.999 322 V HN 0.692 nan 8.190 nan 0.000 0.426 323 I N 4.621 125.068 120.570 -0.206 0.000 2.466 323 I HA 0.648 4.818 4.170 -0.001 0.000 0.289 323 I C -0.117 175.931 176.117 -0.115 0.000 1.026 323 I CA -0.310 60.932 61.300 -0.097 0.000 1.078 323 I CB 1.705 39.712 38.000 0.012 0.000 1.249 323 I HN 0.896 nan 8.210 nan 0.000 0.429 324 C N 2.275 121.505 119.300 -0.117 0.000 3.307 324 C HA 0.730 5.190 4.460 -0.001 0.000 0.350 324 C C -0.237 174.676 174.990 -0.128 0.000 1.549 324 C CA -0.876 58.084 59.018 -0.096 0.000 1.396 324 C CB 1.412 29.130 27.740 -0.037 0.000 1.970 324 C HN 0.737 nan 8.230 nan 0.000 0.441 325 E N 1.203 121.349 120.200 -0.091 0.000 2.194 325 E HA 0.434 4.783 4.350 -0.001 0.000 0.284 325 E C 0.054 176.626 176.600 -0.047 0.000 1.035 325 E CA 0.361 56.706 56.400 -0.092 0.000 0.836 325 E CB 1.066 30.723 29.700 -0.071 0.000 1.070 325 E HN 0.800 nan 8.360 nan 0.000 0.401 326 S N 3.223 118.903 115.700 -0.034 0.000 2.537 326 S HA 0.284 4.754 4.470 -0.001 0.000 0.286 326 S C 0.485 175.096 174.600 0.019 0.000 1.299 326 S CA 0.247 58.469 58.200 0.037 0.000 1.067 326 S CB 0.463 63.730 63.200 0.112 0.000 0.864 326 S HN 0.610 nan 8.310 nan 0.000 0.494 327 A N 3.881 126.720 122.820 0.031 0.000 2.423 327 A HA 0.636 4.955 4.320 -0.001 0.000 0.246 327 A C 0.943 178.536 177.584 0.016 0.000 1.278 327 A CA 0.252 52.298 52.037 0.015 0.000 0.903 327 A CB -0.913 18.095 19.000 0.014 0.000 0.997 327 A HN 1.810 nan 8.150 nan 0.000 0.510 328 G N -2.152 106.663 108.800 0.025 0.000 2.539 328 G HA2 0.065 4.025 3.960 -0.001 0.000 0.686 328 G HA3 0.065 4.025 3.960 -0.001 0.000 0.686 328 G C 0.371 175.291 174.900 0.033 0.000 1.258 328 G CA -0.450 44.655 45.100 0.007 0.000 0.846 328 G HN 0.465 nan 8.290 nan 0.000 0.647 329 V N 0.948 120.859 119.914 -0.006 0.000 2.295 329 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 329 V C 2.939 179.065 176.094 0.054 0.000 1.049 329 V CA 3.137 65.449 62.300 0.020 0.000 1.024 329 V CB -0.606 31.184 31.823 -0.055 0.000 0.648 329 V HN 0.767 nan 8.190 nan 0.000 0.447 330 Q N -0.203 119.611 119.800 0.024 0.000 2.123 330 Q HA -0.168 4.171 4.340 -0.001 0.000 0.199 330 Q C 2.125 178.140 176.000 0.025 0.000 0.966 330 Q CA 1.472 57.289 55.803 0.022 0.000 0.845 330 Q CB -0.333 28.411 28.738 0.010 0.000 0.907 330 Q HN 0.663 nan 8.270 nan 0.000 0.439 331 E N 0.524 120.739 120.200 0.024 0.000 2.106 331 E HA -0.158 4.192 4.350 -0.001 0.000 0.192 331 E C 1.406 178.022 176.600 0.027 0.000 0.984 331 E CA 1.258 57.670 56.400 0.021 0.000 0.806 331 E CB -0.064 29.647 29.700 0.018 0.000 0.750 331 E HN 0.310 nan 8.360 nan 0.000 0.458 332 D N 0.173 120.605 120.400 0.053 0.000 2.117 332 D HA -0.121 4.518 4.640 -0.001 0.000 0.197 332 D C 1.871 178.180 176.300 0.015 0.000 0.987 332 D CA 1.470 55.503 54.000 0.055 0.000 0.829 332 D CB -0.371 40.515 40.800 0.143 0.000 0.961 332 D HN 0.206 nan 8.370 nan 0.000 0.460 333 A N 1.004 123.845 122.820 0.034 0.000 1.902 333 A HA -0.036 4.283 4.320 -0.001 0.000 0.217 333 A C 2.301 179.875 177.584 -0.016 0.000 1.181 333 A CA 2.238 54.279 52.037 0.007 0.000 0.623 333 A CB -0.711 18.307 19.000 0.029 0.000 0.818 333 A HN 0.237 nan 8.150 nan 0.000 0.443 334 A N 0.268 123.085 122.820 -0.004 0.000 1.930 334 A HA -0.057 4.263 4.320 -0.001 0.000 0.217 334 A C 2.491 180.067 177.584 -0.013 0.000 1.175 334 A CA 2.201 54.234 52.037 -0.007 0.000 0.627 334 A CB -0.891 18.110 19.000 0.001 0.000 0.815 334 A HN 0.948 nan 8.150 nan 0.000 0.443 335 S N -0.372 115.319 115.700 -0.014 0.000 2.383 335 S HA -0.107 4.363 4.470 -0.001 0.000 0.227 335 S C 1.813 176.392 174.600 -0.035 0.000 1.026 335 S CA 1.310 59.504 58.200 -0.010 0.000 0.981 335 S CB -0.542 62.658 63.200 -0.000 0.000 0.818 335 S HN 0.385 nan 8.310 nan 0.000 0.472 336 L N 1.949 123.101 121.223 -0.118 0.000 2.093 336 L HA 0.150 4.490 4.340 -0.001 0.000 0.208 336 L C 2.570 179.387 176.870 -0.088 0.000 1.085 336 L CA 1.491 56.176 54.840 -0.259 0.000 0.755 336 L CB -0.783 41.026 42.059 -0.417 0.000 0.904 336 L HN 0.201 nan 8.230 nan 0.000 0.435 337 R N -0.704 119.769 120.500 -0.045 0.000 2.096 337 R HA -0.088 4.252 4.340 -0.001 0.000 0.235 337 R C 2.198 178.501 176.300 0.005 0.000 1.127 337 R CA 1.188 57.284 56.100 -0.006 0.000 0.968 337 R CB -0.523 29.770 30.300 -0.010 0.000 0.861 337 R HN 0.511 nan 8.270 nan 0.000 0.440 338 A N 0.622 123.445 122.820 0.005 0.000 1.930 338 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 338 A C 1.912 179.491 177.584 -0.009 0.000 1.175 338 A CA 0.889 52.922 52.037 -0.006 0.000 0.627 338 A CB -0.557 18.444 19.000 0.001 0.000 0.815 338 A HN 0.365 nan 8.150 nan 0.000 0.443 339 F N 1.431 121.307 119.950 -0.123 0.000 2.095 339 F HA -0.179 4.347 4.527 -0.001 0.000 0.298 339 F C 2.455 178.152 175.800 -0.172 0.000 1.104 339 F CA 2.381 60.294 58.000 -0.146 0.000 1.232 339 F CB -0.626 38.275 39.000 -0.164 0.000 0.987 339 F HN 0.205 nan 8.300 nan 0.000 0.475 340 T N 0.212 114.798 114.554 0.054 0.000 2.720 340 T HA -0.214 4.136 4.350 -0.001 0.000 0.268 340 T C 1.728 176.381 174.700 -0.079 0.000 1.037 340 T CA 1.851 63.986 62.100 0.058 0.000 1.144 340 T CB -0.385 68.605 68.868 0.202 0.000 0.864 340 T HN 0.410 nan 8.240 nan 0.000 0.444 341 E N 0.950 121.095 120.200 -0.091 0.000 2.077 341 E HA -0.087 4.263 4.350 -0.001 0.000 0.193 341 E C 2.563 179.020 176.600 -0.238 0.000 0.989 341 E CA 1.023 57.349 56.400 -0.124 0.000 0.800 341 E CB -0.215 29.430 29.700 -0.092 0.000 0.746 341 E HN 0.493 nan 8.360 nan 0.000 0.452 342 A N 1.186 123.804 122.820 -0.337 0.000 1.898 342 A HA -0.161 4.159 4.320 -0.001 0.000 0.216 342 A C 2.155 179.275 177.584 -0.774 0.000 1.181 342 A CA 1.145 52.843 52.037 -0.565 0.000 0.620 342 A CB -0.271 18.424 19.000 -0.507 0.000 0.819 342 A HN 0.111 nan 8.150 nan 0.000 0.442 343 M N -0.218 119.014 119.600 -0.613 0.000 2.159 343 M HA -0.104 4.376 4.480 -0.001 0.000 0.263 343 M C 2.127 178.320 176.300 -0.179 0.000 1.063 343 M CA 1.890 56.946 55.300 -0.405 0.000 1.110 343 M CB -1.813 30.467 32.600 -0.533 0.000 1.374 343 M HN 0.443 nan 8.290 nan 0.000 0.411 344 T N 0.067 114.523 114.554 -0.163 0.000 2.777 344 T HA -0.092 4.257 4.350 -0.001 0.000 0.266 344 T C 1.966 176.599 174.700 -0.112 0.000 1.040 344 T CA 1.033 63.084 62.100 -0.081 0.000 1.141 344 T CB -0.162 68.669 68.868 -0.063 0.000 0.868 344 T HN 0.381 nan 8.240 nan 0.000 0.444 345 R N 0.082 120.452 120.500 -0.216 0.000 2.096 345 R HA -0.070 4.270 4.340 -0.001 0.000 0.235 345 R C 1.825 178.074 176.300 -0.085 0.000 1.127 345 R CA 1.170 57.154 56.100 -0.194 0.000 0.968 345 R CB -0.316 29.807 30.300 -0.294 0.000 0.861 345 R HN 0.425 nan 8.270 nan 0.000 0.440 346 Y N 0.274 120.509 120.300 -0.109 0.000 2.578 346 Y HA -0.059 4.491 4.550 -0.001 0.000 0.297 346 Y C 1.436 177.275 175.900 -0.102 0.000 1.176 346 Y CA 0.354 58.377 58.100 -0.128 0.000 1.315 346 Y CB -0.211 38.191 38.460 -0.098 0.000 1.031 346 Y HN 0.241 nan 8.280 nan 0.000 0.524 347 S N -2.504 113.231 115.700 0.057 0.000 2.130 347 S HA -0.140 4.330 4.470 -0.001 0.000 0.254 347 S C 0.347 174.963 174.600 0.027 0.000 1.284 347 S CA 0.287 58.504 58.200 0.028 0.000 1.237 347 S CB -1.921 61.286 63.200 0.011 0.000 1.537 347 S HN 0.646 nan 8.310 nan 0.000 0.622 348 A N 2.494 125.344 122.820 0.049 0.000 3.056 348 A HA 0.723 5.043 4.320 -0.001 0.000 0.328 348 A C -2.107 175.586 177.584 0.182 0.000 1.233 348 A CA -1.325 50.770 52.037 0.096 0.000 0.965 348 A CB 0.343 19.433 19.000 0.150 0.000 1.123 348 A HN 0.491 nan 8.150 nan 0.000 0.502 349 P HA 0.381 nan 4.420 nan 0.000 0.276 349 P C -2.954 174.383 177.300 0.060 0.000 1.252 349 P CA -1.539 61.616 63.100 0.091 0.000 0.802 349 P CB 0.621 32.307 31.700 -0.023 0.000 1.035 350 P HA 0.167 nan 4.420 nan 0.000 0.281 350 P C 0.716 177.943 177.300 -0.121 0.000 1.264 350 P CA -0.101 62.868 63.100 -0.219 0.000 0.824 350 P CB 0.797 32.316 31.700 -0.302 0.000 1.092 351 G N 1.399 110.128 108.800 -0.118 0.000 2.607 351 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.215 351 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.215 351 G C -0.412 174.449 174.900 -0.065 0.000 1.275 351 G CA 0.272 45.330 45.100 -0.069 0.000 0.842 351 G HN 0.687 nan 8.290 nan 0.000 0.555 352 D N 1.076 121.436 120.400 -0.066 0.000 2.249 352 D HA 0.492 5.131 4.640 -0.001 0.000 0.246 352 D C -2.806 173.457 176.300 -0.062 0.000 1.114 352 D CA -1.836 52.134 54.000 -0.049 0.000 0.854 352 D CB 1.566 42.346 40.800 -0.033 0.000 1.132 352 D HN 0.049 nan 8.370 nan 0.000 0.461 353 P HA 0.130 nan 4.420 nan 0.000 0.268 353 P C -2.281 175.017 177.300 -0.004 0.000 1.204 353 P CA -0.890 62.200 63.100 -0.017 0.000 0.768 353 P CB -0.059 31.639 31.700 -0.003 0.000 0.842 354 P HA 0.072 nan 4.420 nan 0.000 0.269 354 P C -0.745 176.552 177.300 -0.004 0.000 1.215 354 P CA 0.194 63.323 63.100 0.048 0.000 0.780 354 P CB 0.606 32.373 31.700 0.110 0.000 0.898 355 Q N 1.111 120.921 119.800 0.018 0.000 2.372 355 Q HA 0.441 4.781 4.340 -0.001 0.000 0.273 355 Q C -2.493 173.511 176.000 0.007 0.000 1.078 355 Q CA -2.112 53.692 55.803 0.002 0.000 0.806 355 Q CB 1.562 30.314 28.738 0.023 0.000 1.332 355 Q HN 0.303 nan 8.270 nan 0.000 0.435 356 P HA 0.144 nan 4.420 nan 0.000 0.271 356 P C -0.579 176.633 177.300 -0.146 0.000 1.216 356 P CA 0.007 63.048 63.100 -0.098 0.000 0.771 356 P CB 0.665 32.311 31.700 -0.090 0.000 0.864 357 E N 1.755 121.824 120.200 -0.220 0.000 2.210 357 E HA 0.322 4.672 4.350 -0.001 0.000 0.266 357 E C -1.131 175.348 176.600 -0.202 0.000 0.883 357 E CA -0.510 55.816 56.400 -0.123 0.000 0.761 357 E CB 0.706 30.410 29.700 0.005 0.000 1.156 357 E HN 0.330 nan 8.360 nan 0.000 0.412 358 Y N 1.398 121.846 120.300 0.247 0.000 2.584 358 Y HA 0.314 4.863 4.550 -0.001 0.000 0.254 358 Y C -0.064 176.097 175.900 0.435 0.000 1.177 358 Y CA -0.475 57.826 58.100 0.335 0.000 1.216 358 Y CB 0.993 39.555 38.460 0.170 0.000 1.172 358 Y HN 0.341 nan 8.280 nan 0.000 0.529 359 D N 0.359 120.950 120.400 0.318 0.000 2.549 359 D HA 0.109 4.749 4.640 -0.001 0.000 0.251 359 D C 0.644 176.744 176.300 -0.333 0.000 1.153 359 D CA -0.343 53.705 54.000 0.080 0.000 0.861 359 D CB 1.699 42.534 40.800 0.059 0.000 1.207 359 D HN 0.111 nan 8.370 nan 0.000 0.543 360 L N 4.305 124.993 121.223 -0.893 0.000 2.127 360 L HA -0.092 4.248 4.340 -0.001 0.000 0.211 360 L C 1.651 178.190 176.870 -0.553 0.000 1.089 360 L CA 1.930 56.032 54.840 -1.229 0.000 0.757 360 L CB -0.265 40.841 42.059 -1.589 0.000 0.899 360 L HN 0.518 nan 8.230 nan 0.000 0.434 361 E N -0.751 119.242 120.200 -0.344 0.000 2.268 361 E HA -0.167 4.183 4.350 -0.001 0.000 0.195 361 E C 1.978 178.491 176.600 -0.145 0.000 0.995 361 E CA 0.952 57.233 56.400 -0.198 0.000 0.836 361 E CB -0.152 29.477 29.700 -0.118 0.000 0.763 361 E HN 0.542 nan 8.360 nan 0.000 0.491 362 L N 0.850 121.990 121.223 -0.137 0.000 2.592 362 L HA 0.162 4.501 4.340 -0.001 0.000 0.227 362 L C 0.693 177.520 176.870 -0.072 0.000 1.127 362 L CA -0.095 54.700 54.840 -0.075 0.000 0.884 362 L CB 0.219 42.258 42.059 -0.033 0.000 1.065 362 L HN 0.016 nan 8.230 nan 0.000 0.457 363 I N 0.292 120.791 120.570 -0.118 0.000 2.301 363 I HA 0.075 4.245 4.170 -0.001 0.000 0.292 363 I C 0.093 176.170 176.117 -0.068 0.000 1.046 363 I CA 0.115 61.363 61.300 -0.085 0.000 1.282 363 I CB 1.156 39.084 38.000 -0.120 0.000 1.409 363 I HN -0.083 nan 8.210 nan 0.000 0.484 364 T N 5.234 119.769 114.554 -0.031 0.000 2.744 364 T HA 0.361 4.711 4.350 -0.001 0.000 0.291 364 T C -0.004 174.695 174.700 -0.001 0.000 0.957 364 T CA -0.519 61.572 62.100 -0.014 0.000 1.002 364 T CB 0.766 69.631 68.868 -0.004 0.000 0.919 364 T HN 0.714 nan 8.240 nan 0.000 0.468 365 S N 1.153 116.855 115.700 0.002 0.000 2.538 365 S HA 0.374 4.844 4.470 -0.001 0.000 0.288 365 S C 0.311 174.925 174.600 0.024 0.000 1.108 365 S CA -0.805 57.396 58.200 0.001 0.000 0.971 365 S CB 0.646 63.831 63.200 -0.025 0.000 1.041 365 S HN 0.876 nan 8.310 nan 0.000 0.483 366 C N 2.386 121.697 119.300 0.019 0.000 3.989 366 C HA -0.176 4.284 4.460 -0.001 0.000 0.297 366 C C 1.423 176.479 174.990 0.111 0.000 1.435 366 C CA 0.829 59.881 59.018 0.056 0.000 2.040 366 C CB -3.292 24.476 27.740 0.046 0.000 1.308 366 C HN 1.543 nan 8.230 nan 0.000 0.704 367 S N -1.704 114.045 115.700 0.083 0.000 3.270 367 S HA -0.219 4.251 4.470 -0.001 0.000 0.293 367 S C 0.356 175.013 174.600 0.096 0.000 1.278 367 S CA 1.379 59.629 58.200 0.082 0.000 1.038 367 S CB -1.300 61.960 63.200 0.100 0.000 1.218 367 S HN 1.846 nan 8.310 nan 0.000 0.659 368 S N 1.305 117.075 115.700 0.117 0.000 2.634 368 S HA 0.810 5.279 4.470 -0.001 0.000 0.296 368 S C -0.845 173.795 174.600 0.068 0.000 1.104 368 S CA -0.512 57.779 58.200 0.152 0.000 0.920 368 S CB 2.145 65.537 63.200 0.320 0.000 1.111 368 S HN 0.520 nan 8.310 nan 0.000 0.493 369 N N -0.147 118.580 118.700 0.045 0.000 2.455 369 N HA 0.430 5.169 4.740 -0.001 0.000 0.278 369 N C -1.398 174.069 175.510 -0.072 0.000 1.291 369 N CA -0.730 52.301 53.050 -0.032 0.000 0.780 369 N CB 1.533 39.984 38.487 -0.060 0.000 1.520 369 N HN 0.468 nan 8.380 nan 0.000 0.486 370 V N 0.494 120.331 119.914 -0.128 0.000 2.583 370 V HA 0.378 4.498 4.120 -0.001 0.000 0.287 370 V C 0.491 176.458 176.094 -0.212 0.000 1.051 370 V CA 0.036 62.235 62.300 -0.168 0.000 1.010 370 V CB 0.919 32.642 31.823 -0.167 0.000 0.988 370 V HN 0.855 nan 8.190 nan 0.000 0.478 371 S N 3.189 118.663 115.700 -0.377 0.000 2.732 371 S HA 0.818 5.288 4.470 -0.001 0.000 0.293 371 S C -1.198 173.254 174.600 -0.248 0.000 1.159 371 S CA -0.525 57.471 58.200 -0.341 0.000 0.847 371 S CB 2.108 65.068 63.200 -0.400 0.000 1.169 371 S HN 0.405 nan 8.310 nan 0.000 0.501 372 V N 1.496 121.373 119.914 -0.061 0.000 2.604 372 V HA 0.923 5.043 4.120 -0.001 0.000 0.305 372 V C 0.256 176.329 176.094 -0.034 0.000 1.043 372 V CA -0.144 62.078 62.300 -0.131 0.000 0.888 372 V CB 0.946 32.586 31.823 -0.304 0.000 0.995 372 V HN 1.098 nan 8.190 nan 0.000 0.429 373 A N 3.337 126.011 122.820 -0.244 0.000 2.507 373 A HA 0.955 5.274 4.320 -0.001 0.000 0.284 373 A C -1.431 175.651 177.584 -0.837 0.000 1.281 373 A CA -0.575 51.151 52.037 -0.520 0.000 0.744 373 A CB 1.579 20.139 19.000 -0.733 0.000 1.332 373 A HN 0.916 nan 8.150 nan 0.000 0.454 374 H N 0.080 118.818 119.070 -0.555 0.000 2.637 374 H HA 0.495 5.051 4.556 -0.001 0.000 0.363 374 H C -0.779 174.234 175.328 -0.525 0.000 1.131 374 H CA -0.406 55.332 56.048 -0.517 0.000 1.183 374 H CB 1.314 30.742 29.762 -0.556 0.000 1.637 374 H HN 0.787 nan 8.280 nan 0.000 0.531 375 D N 0.816 121.123 120.400 -0.155 0.000 2.440 375 D HA 0.109 4.749 4.640 -0.001 0.000 0.269 375 D C 1.713 178.091 176.300 0.129 0.000 1.249 375 D CA -0.286 53.690 54.000 -0.040 0.000 1.055 375 D CB -0.079 40.706 40.800 -0.024 0.000 1.104 375 D HN 0.603 nan 8.370 nan 0.000 0.561 376 G N -0.985 107.897 108.800 0.135 0.000 2.469 376 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.220 376 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.220 376 G C 1.283 176.256 174.900 0.121 0.000 1.136 376 G CA 1.120 46.304 45.100 0.141 0.000 0.759 376 G HN 0.680 nan 8.290 nan 0.000 0.562 377 A N -0.286 122.586 122.820 0.086 0.000 2.278 377 A HA 0.486 4.805 4.320 -0.001 0.000 0.212 377 A C 2.027 179.653 177.584 0.069 0.000 1.213 377 A CA 1.135 53.209 52.037 0.062 0.000 0.840 377 A CB -0.566 18.457 19.000 0.039 0.000 0.866 377 A HN 1.583 nan 8.150 nan 0.000 0.489 378 G N -0.202 108.664 108.800 0.110 0.000 2.168 378 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.263 378 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.263 378 G C 0.334 175.291 174.900 0.096 0.000 0.977 378 G CA 0.709 45.862 45.100 0.088 0.000 0.659 378 G HN 0.781 nan 8.290 nan 0.000 0.533 379 K N 0.897 121.330 120.400 0.056 0.000 2.350 379 K HA 0.341 4.661 4.320 -0.001 0.000 0.279 379 K C 0.902 177.474 176.600 -0.045 0.000 1.027 379 K CA -0.695 55.605 56.287 0.023 0.000 0.969 379 K CB 0.275 32.776 32.500 0.001 0.000 0.954 379 K HN 0.334 nan 8.250 nan 0.000 0.474 380 R N 2.009 122.448 120.500 -0.102 0.000 2.522 380 R HA 0.081 4.421 4.340 -0.001 0.000 0.284 380 R C -0.628 175.461 176.300 -0.352 0.000 1.032 380 R CA -0.178 55.702 56.100 -0.366 0.000 1.049 380 R CB 0.588 30.671 30.300 -0.362 0.000 0.956 380 R HN 0.279 nan 8.270 nan 0.000 0.422 381 V N 4.780 124.430 119.914 -0.441 0.000 2.531 381 V HA 0.245 4.365 4.120 -0.001 0.000 0.301 381 V C -0.888 175.053 176.094 -0.254 0.000 1.034 381 V CA -0.924 61.219 62.300 -0.261 0.000 0.865 381 V CB 1.324 33.046 31.823 -0.170 0.000 0.995 381 V HN 0.566 nan 8.190 nan 0.000 0.424 382 Y N 5.037 125.334 120.300 -0.004 0.000 2.299 382 Y HA 0.648 5.198 4.550 -0.001 0.000 0.326 382 Y C 0.044 176.016 175.900 0.120 0.000 1.164 382 Y CA -0.207 57.903 58.100 0.017 0.000 1.234 382 Y CB 1.116 39.544 38.460 -0.053 0.000 1.219 382 Y HN 0.736 nan 8.280 nan 0.000 0.497 383 Y N 0.285 120.652 120.300 0.111 0.000 2.638 383 Y HA 0.670 5.219 4.550 -0.001 0.000 0.335 383 Y C -2.177 173.789 175.900 0.111 0.000 1.155 383 Y CA -1.821 56.327 58.100 0.080 0.000 1.046 383 Y CB 0.810 39.289 38.460 0.033 0.000 1.303 383 Y HN 0.454 nan 8.280 nan 0.000 0.460 384 L N 2.319 123.619 121.223 0.129 0.000 2.292 384 L HA 0.713 5.053 4.340 -0.001 0.000 0.284 384 L C 0.023 177.104 176.870 0.352 0.000 1.065 384 L CA 0.486 55.403 54.840 0.127 0.000 0.806 384 L CB 1.368 43.526 42.059 0.165 0.000 1.175 384 L HN 1.009 nan 8.230 nan 0.000 0.431 385 T N 4.396 119.103 114.554 0.256 0.000 2.716 385 T HA 0.877 5.226 4.350 -0.001 0.000 0.286 385 T C -1.177 173.641 174.700 0.195 0.000 1.052 385 T CA -0.600 61.721 62.100 0.369 0.000 1.024 385 T CB 1.134 70.176 68.868 0.290 0.000 1.349 385 T HN 0.836 nan 8.240 nan 0.000 0.525 386 R N 0.416 120.926 120.500 0.018 0.000 2.728 386 R HA 0.435 4.775 4.340 -0.001 0.000 0.274 386 R C -1.599 174.487 176.300 -0.357 0.000 1.030 386 R CA -0.982 55.014 56.100 -0.172 0.000 0.876 386 R CB 0.367 30.502 30.300 -0.275 0.000 1.259 386 R HN 0.526 nan 8.270 nan 0.000 0.468 387 D N 1.808 122.019 120.400 -0.315 0.000 2.450 387 D HA 0.057 4.697 4.640 -0.001 0.000 0.247 387 D C -1.401 174.509 176.300 -0.650 0.000 1.162 387 D CA -1.289 52.477 54.000 -0.390 0.000 0.879 387 D CB 1.301 41.968 40.800 -0.222 0.000 1.163 387 D HN 0.352 nan 8.370 nan 0.000 0.472 388 P HA 0.024 nan 4.420 nan 0.000 0.249 388 P C 1.133 178.118 177.300 -0.525 0.000 1.229 388 P CA 0.112 62.526 63.100 -1.143 0.000 0.788 388 P CB 0.297 31.178 31.700 -1.365 0.000 1.072 389 T N -0.208 114.148 114.554 -0.328 0.000 2.607 389 T HA -0.138 4.212 4.350 -0.001 0.000 0.267 389 T C 1.733 176.374 174.700 -0.097 0.000 1.049 389 T CA 2.399 64.405 62.100 -0.156 0.000 1.162 389 T CB -1.116 67.702 68.868 -0.083 0.000 0.863 389 T HN 0.195 nan 8.240 nan 0.000 0.424 390 T N 2.047 116.550 114.554 -0.084 0.000 2.777 390 T HA -0.024 4.325 4.350 -0.001 0.000 0.266 390 T C -0.624 174.050 174.700 -0.043 0.000 1.040 390 T CA 0.970 63.052 62.100 -0.029 0.000 1.141 390 T CB -1.105 67.784 68.868 0.035 0.000 0.868 390 T HN 0.333 nan 8.240 nan 0.000 0.444 391 P HA 0.004 nan 4.420 nan 0.000 0.215 391 P C 1.518 178.869 177.300 0.086 0.000 1.153 391 P CA 0.898 64.022 63.100 0.040 0.000 0.853 391 P CB -0.175 31.541 31.700 0.026 0.000 0.788 392 L N -1.322 119.904 121.223 0.004 0.000 2.056 392 L HA -0.133 4.206 4.340 -0.001 0.000 0.207 392 L C 2.462 179.371 176.870 0.065 0.000 1.078 392 L CA 1.518 56.379 54.840 0.035 0.000 0.749 392 L CB -1.207 40.831 42.059 -0.035 0.000 0.901 392 L HN -0.043 nan 8.230 nan 0.000 0.433 393 A N 0.322 123.170 122.820 0.048 0.000 1.902 393 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 393 A C 2.388 180.049 177.584 0.127 0.000 1.181 393 A CA 1.472 53.559 52.037 0.083 0.000 0.623 393 A CB -0.453 18.578 19.000 0.050 0.000 0.818 393 A HN 0.308 nan 8.150 nan 0.000 0.443 394 R N -0.585 119.963 120.500 0.080 0.000 2.081 394 R HA -0.055 4.285 4.340 -0.001 0.000 0.235 394 R C 2.475 178.933 176.300 0.264 0.000 1.131 394 R CA 1.146 57.311 56.100 0.108 0.000 0.960 394 R CB -0.464 29.845 30.300 0.015 0.000 0.856 394 R HN 0.512 nan 8.270 nan 0.000 0.436 395 A N 1.278 124.283 122.820 0.308 0.000 1.933 395 A HA -0.139 4.180 4.320 -0.001 0.000 0.218 395 A C 2.362 180.174 177.584 0.380 0.000 1.175 395 A CA 1.729 54.061 52.037 0.490 0.000 0.628 395 A CB -0.618 18.710 19.000 0.548 0.000 0.814 395 A HN 0.406 nan 8.150 nan 0.000 0.444 396 A N -1.406 121.545 122.820 0.219 0.000 1.877 396 A HA -0.181 4.138 4.320 -0.001 0.000 0.216 396 A C 2.102 179.812 177.584 0.211 0.000 1.186 396 A CA 1.417 53.541 52.037 0.145 0.000 0.620 396 A CB -0.840 18.218 19.000 0.097 0.000 0.822 396 A HN 0.817 nan 8.150 nan 0.000 0.443 397 W N 0.973 122.330 121.300 0.095 0.000 2.358 397 W HA -0.134 4.526 4.660 -0.001 0.000 0.303 397 W C 1.784 178.375 176.519 0.119 0.000 1.208 397 W CA 1.893 59.288 57.345 0.083 0.000 1.274 397 W CB -0.428 29.057 29.460 0.042 0.000 1.138 397 W HN 0.558 nan 8.180 nan 0.000 0.515 398 E N -0.940 119.553 120.200 0.488 0.000 2.268 398 E HA -0.153 4.196 4.350 -0.001 0.000 0.195 398 E C 1.987 178.821 176.600 0.390 0.000 0.995 398 E CA 1.764 58.426 56.400 0.437 0.000 0.836 398 E CB -0.124 29.872 29.700 0.494 0.000 0.763 398 E HN 0.100 nan 8.360 nan 0.000 0.491 399 T N 0.315 115.070 114.554 0.335 0.000 2.896 399 T HA -0.038 4.312 4.350 -0.001 0.000 0.263 399 T C 1.965 176.746 174.700 0.134 0.000 1.050 399 T CA 0.977 63.212 62.100 0.224 0.000 1.140 399 T CB -0.042 68.933 68.868 0.179 0.000 0.877 399 T HN 0.221 nan 8.240 nan 0.000 0.457 400 A N 1.172 124.039 122.820 0.079 0.000 1.968 400 A HA 0.092 4.412 4.320 -0.001 0.000 0.217 400 A C 1.167 178.756 177.584 0.009 0.000 1.169 400 A CA 0.823 52.847 52.037 -0.022 0.000 0.638 400 A CB 0.126 19.020 19.000 -0.176 0.000 0.812 400 A HN 0.186 nan 8.150 nan 0.000 0.446 401 R N -0.975 119.582 120.500 0.095 0.000 2.604 401 R HA 0.264 4.604 4.340 -0.001 0.000 0.281 401 R C -1.522 174.920 176.300 0.236 0.000 1.020 401 R CA -0.713 55.477 56.100 0.150 0.000 0.899 401 R CB 0.834 31.222 30.300 0.147 0.000 1.205 401 R HN 0.479 nan 8.270 nan 0.000 0.450 402 H N 1.427 120.574 119.070 0.127 0.000 2.886 402 H HA 0.190 4.745 4.556 -0.001 0.000 0.329 402 H C -0.394 175.001 175.328 0.113 0.000 1.044 402 H CA 0.556 56.678 56.048 0.123 0.000 1.456 402 H CB 0.646 30.459 29.762 0.085 0.000 1.464 402 H HN 0.615 nan 8.280 nan 0.000 0.573 403 T N 3.244 117.532 114.554 -0.444 0.000 2.893 403 T HA 0.294 4.643 4.350 -0.001 0.000 0.291 403 T C -2.000 172.357 174.700 -0.571 0.000 1.028 403 T CA -1.869 60.012 62.100 -0.365 0.000 0.995 403 T CB 1.894 70.683 68.868 -0.132 0.000 1.051 403 T HN 0.426 nan 8.240 nan 0.000 0.470 404 P HA 0.050 nan 4.420 nan 0.000 0.217 404 P C 0.120 177.165 177.300 -0.425 0.000 1.150 404 P CA 0.446 63.292 63.100 -0.423 0.000 0.832 404 P CB 0.069 31.491 31.700 -0.464 0.000 0.787 405 V N 1.256 120.935 119.914 -0.393 0.000 2.487 405 V HA 0.232 4.352 4.120 -0.001 0.000 0.298 405 V C -0.567 175.385 176.094 -0.238 0.000 1.028 405 V CA -0.851 61.267 62.300 -0.304 0.000 0.860 405 V CB 1.331 32.982 31.823 -0.287 0.000 0.991 405 V HN 0.052 nan 8.190 nan 0.000 0.427 406 N N 2.255 120.791 118.700 -0.273 0.000 2.485 406 N HA 0.259 4.998 4.740 -0.001 0.000 0.243 406 N C 1.037 176.316 175.510 -0.386 0.000 0.987 406 N CA -0.248 52.612 53.050 -0.316 0.000 0.940 406 N CB 1.543 39.746 38.487 -0.473 0.000 1.122 406 N HN 0.625 nan 8.380 nan 0.000 0.509 407 S N 2.130 117.728 115.700 -0.170 0.000 2.419 407 S HA -0.188 4.281 4.470 -0.001 0.000 0.233 407 S C 1.464 176.031 174.600 -0.055 0.000 1.016 407 S CA 0.361 58.506 58.200 -0.091 0.000 0.974 407 S CB -0.649 62.548 63.200 -0.004 0.000 0.786 407 S HN 0.855 nan 8.310 nan 0.000 0.492 408 W N 1.220 122.455 121.300 -0.108 0.000 2.363 408 W HA -0.032 4.627 4.660 -0.001 0.000 0.296 408 W C 1.675 178.090 176.519 -0.173 0.000 1.212 408 W CA 0.485 57.730 57.345 -0.166 0.000 1.260 408 W CB -0.990 28.136 29.460 -0.557 0.000 1.131 408 W HN 0.369 nan 8.180 nan 0.000 0.530 409 L N 2.868 123.538 121.223 -0.922 0.000 2.109 409 L HA 0.183 4.523 4.340 -0.001 0.000 0.207 409 L C 2.657 179.350 176.870 -0.295 0.000 1.086 409 L CA 2.650 57.016 54.840 -0.789 0.000 0.760 409 L CB -1.352 39.973 42.059 -1.222 0.000 0.910 409 L HN 0.045 nan 8.230 nan 0.000 0.437 410 G N -0.680 107.959 108.800 -0.267 0.000 2.440 410 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.218 410 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.218 410 G C 1.415 176.330 174.900 0.027 0.000 1.154 410 G CA 1.098 46.120 45.100 -0.130 0.000 0.767 410 G HN 0.559 nan 8.290 nan 0.000 0.552 411 N N 0.055 118.837 118.700 0.137 0.000 2.142 411 N HA -0.005 4.734 4.740 -0.001 0.000 0.186 411 N C 2.162 177.847 175.510 0.290 0.000 1.023 411 N CA 0.736 53.999 53.050 0.355 0.000 0.852 411 N CB -0.130 38.636 38.487 0.465 0.000 0.998 411 N HN 0.302 nan 8.380 nan 0.000 0.424 412 I N 0.756 121.452 120.570 0.209 0.000 2.226 412 I HA -0.250 3.920 4.170 -0.001 0.000 0.245 412 I C 1.877 178.065 176.117 0.119 0.000 1.100 412 I CA 1.069 62.471 61.300 0.169 0.000 1.374 412 I CB -0.199 37.953 38.000 0.254 0.000 1.057 412 I HN 0.164 nan 8.210 nan 0.000 0.413 413 I N -0.080 120.557 120.570 0.111 0.000 2.202 413 I HA -0.290 3.880 4.170 -0.001 0.000 0.242 413 I C 2.541 178.761 176.117 0.171 0.000 1.091 413 I CA 1.233 62.622 61.300 0.149 0.000 1.368 413 I CB -0.220 37.851 38.000 0.118 0.000 1.058 413 I HN 0.195 nan 8.210 nan 0.000 0.410 414 M N -0.503 119.116 119.600 0.033 0.000 2.175 414 M HA -0.096 4.384 4.480 -0.001 0.000 0.264 414 M C 1.184 177.246 176.300 -0.397 0.000 1.063 414 M CA 1.768 56.949 55.300 -0.200 0.000 1.119 414 M CB -0.634 31.703 32.600 -0.438 0.000 1.377 414 M HN 0.125 nan 8.290 nan 0.000 0.415 415 F N -0.411 119.541 119.950 0.003 0.000 2.772 415 F HA 0.418 4.945 4.527 -0.001 0.000 0.302 415 F C 1.808 177.364 175.800 -0.407 0.000 1.136 415 F CA -0.383 57.504 58.000 -0.188 0.000 1.322 415 F CB -1.011 37.829 39.000 -0.266 0.000 0.967 415 F HN 0.022 nan 8.300 nan 0.000 0.513 416 A N 0.980 123.627 122.820 -0.289 0.000 1.948 416 A HA -0.154 4.165 4.320 -0.001 0.000 0.220 416 A C -0.408 176.925 177.584 -0.418 0.000 1.177 416 A CA 1.789 53.625 52.037 -0.334 0.000 0.636 416 A CB -1.601 17.233 19.000 -0.277 0.000 0.815 416 A HN 0.214 nan 8.150 nan 0.000 0.449 417 P HA 0.035 nan 4.420 nan 0.000 0.241 417 P C 0.628 177.686 177.300 -0.402 0.000 1.191 417 P CA 1.125 63.968 63.100 -0.427 0.000 0.771 417 P CB -0.369 31.090 31.700 -0.402 0.000 0.929 418 T N -2.695 111.615 114.554 -0.405 0.000 2.868 418 T HA 0.135 4.484 4.350 -0.001 0.000 0.292 418 T C 1.116 175.418 174.700 -0.663 0.000 1.028 418 T CA -0.663 61.147 62.100 -0.484 0.000 1.059 418 T CB 0.602 69.028 68.868 -0.736 0.000 0.991 418 T HN -0.179 nan 8.240 nan 0.000 0.531 419 L N 1.522 122.246 121.223 -0.832 0.000 2.017 419 L HA 0.036 4.375 4.340 -0.001 0.000 0.208 419 L C 2.400 178.967 176.870 -0.504 0.000 1.073 419 L CA 1.652 55.981 54.840 -0.851 0.000 0.745 419 L CB -0.972 40.501 42.059 -0.975 0.000 0.894 419 L HN 0.917 nan 8.230 nan 0.000 0.432 420 W N -0.715 120.373 121.300 -0.353 0.000 2.418 420 W HA 0.093 4.752 4.660 -0.001 0.000 0.292 420 W C 2.008 178.395 176.519 -0.221 0.000 1.213 420 W CA 0.779 57.955 57.345 -0.282 0.000 1.283 420 W CB -1.412 27.913 29.460 -0.225 0.000 1.119 420 W HN 0.311 nan 8.180 nan 0.000 0.542 421 A N 1.900 124.233 122.820 -0.813 0.000 1.930 421 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 421 A C 2.253 179.687 177.584 -0.251 0.000 1.175 421 A CA 1.752 53.484 52.037 -0.508 0.000 0.627 421 A CB -0.750 17.838 19.000 -0.688 0.000 0.815 421 A HN 0.308 nan 8.150 nan 0.000 0.443 422 R N -1.085 119.200 120.500 -0.359 0.000 2.062 422 R HA 0.068 4.407 4.340 -0.001 0.000 0.229 422 R C 2.208 178.350 176.300 -0.263 0.000 1.128 422 R CA 1.662 57.589 56.100 -0.288 0.000 0.960 422 R CB -0.300 29.723 30.300 -0.463 0.000 0.855 422 R HN 0.505 nan 8.270 nan 0.000 0.432 423 M N -0.422 118.880 119.600 -0.497 0.000 2.394 423 M HA 0.041 4.521 4.480 -0.001 0.000 0.266 423 M C 1.873 178.079 176.300 -0.156 0.000 1.098 423 M CA 1.312 56.325 55.300 -0.478 0.000 1.149 423 M CB 0.214 32.434 32.600 -0.634 0.000 1.369 423 M HN 0.111 nan 8.290 nan 0.000 0.450 424 I N -0.597 119.754 120.570 -0.365 0.000 2.962 424 I HA -0.090 4.080 4.170 -0.001 0.000 0.246 424 I C 2.111 178.012 176.117 -0.360 0.000 1.091 424 I CA 0.341 61.163 61.300 -0.797 0.000 1.469 424 I CB -0.246 37.261 38.000 -0.820 0.000 1.324 424 I HN 0.123 nan 8.210 nan 0.000 0.461 425 L N 0.395 121.593 121.223 -0.042 0.000 1.994 425 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 425 L C 2.722 179.829 176.870 0.396 0.000 1.071 425 L CA 1.716 56.703 54.840 0.245 0.000 0.745 425 L CB -0.467 41.801 42.059 0.348 0.000 0.892 425 L HN 0.288 nan 8.230 nan 0.000 0.431 426 M N -0.881 118.939 119.600 0.367 0.000 2.080 426 M HA -0.197 4.282 4.480 -0.001 0.000 0.260 426 M C 2.321 179.095 176.300 0.791 0.000 1.068 426 M CA 2.141 57.779 55.300 0.563 0.000 1.109 426 M CB -0.712 32.081 32.600 0.321 0.000 1.342 426 M HN 0.264 nan 8.290 nan 0.000 0.405 427 T N -1.298 113.702 114.554 0.744 0.000 2.684 427 T HA -0.230 4.120 4.350 -0.001 0.000 0.267 427 T C 1.655 176.663 174.700 0.513 0.000 1.036 427 T CA 1.947 64.486 62.100 0.731 0.000 1.148 427 T CB -0.567 68.762 68.868 0.768 0.000 0.863 427 T HN 0.462 nan 8.240 nan 0.000 0.436 428 H N 0.383 119.620 119.070 0.278 0.000 2.321 428 H HA -0.019 4.537 4.556 -0.001 0.000 0.300 428 H C 1.771 176.992 175.328 -0.179 0.000 1.087 428 H CA 1.558 57.648 56.048 0.070 0.000 1.319 428 H CB -0.522 29.104 29.762 -0.226 0.000 1.379 428 H HN 0.347 nan 8.280 nan 0.000 0.501 429 F N -1.046 118.833 119.950 -0.117 0.000 2.234 429 F HA 0.005 4.532 4.527 -0.001 0.000 0.296 429 F C 1.976 177.582 175.800 -0.324 0.000 1.089 429 F CA 0.575 58.274 58.000 -0.500 0.000 1.343 429 F CB -0.556 37.863 39.000 -0.969 0.000 1.040 429 F HN 0.135 nan 8.300 nan 0.000 0.498 430 F N -0.690 119.371 119.950 0.186 0.000 2.216 430 F HA -0.203 4.324 4.527 -0.001 0.000 0.300 430 F C 2.733 178.562 175.800 0.048 0.000 1.085 430 F CA 1.518 59.626 58.000 0.179 0.000 1.326 430 F CB -0.990 38.202 39.000 0.321 0.000 1.027 430 F HN -0.118 nan 8.300 nan 0.000 0.497 431 S N -0.245 115.531 115.700 0.127 0.000 2.368 431 S HA -0.137 4.332 4.470 -0.001 0.000 0.225 431 S C 2.225 176.774 174.600 -0.086 0.000 1.030 431 S CA 1.334 59.541 58.200 0.011 0.000 0.999 431 S CB -0.480 62.725 63.200 0.008 0.000 0.844 431 S HN 0.092 nan 8.310 nan 0.000 0.459 432 V N 2.241 122.011 119.914 -0.240 0.000 2.307 432 V HA -0.132 3.987 4.120 -0.001 0.000 0.245 432 V C 2.367 178.407 176.094 -0.090 0.000 1.045 432 V CA 1.745 63.902 62.300 -0.239 0.000 1.024 432 V CB -0.708 30.858 31.823 -0.428 0.000 0.651 432 V HN 0.466 nan 8.190 nan 0.000 0.449 433 L N -0.718 120.468 121.223 -0.061 0.000 2.079 433 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 433 L C 2.362 179.252 176.870 0.033 0.000 1.081 433 L CA 1.671 56.513 54.840 0.003 0.000 0.752 433 L CB -0.529 41.520 42.059 -0.017 0.000 0.896 433 L HN 0.282 nan 8.230 nan 0.000 0.433 434 I N -0.156 120.443 120.570 0.049 0.000 2.202 434 I HA -0.257 3.913 4.170 -0.001 0.000 0.242 434 I C 2.815 178.945 176.117 0.022 0.000 1.091 434 I CA 1.135 62.468 61.300 0.055 0.000 1.368 434 I CB -0.425 37.616 38.000 0.068 0.000 1.058 434 I HN 0.180 nan 8.210 nan 0.000 0.410 435 A N 0.759 123.579 122.820 -0.000 0.000 1.940 435 A HA -0.183 4.137 4.320 -0.001 0.000 0.219 435 A C 2.246 179.828 177.584 -0.004 0.000 1.176 435 A CA 1.556 53.587 52.037 -0.011 0.000 0.631 435 A CB -0.494 18.487 19.000 -0.030 0.000 0.814 435 A HN 0.377 nan 8.150 nan 0.000 0.446 436 R N -0.508 119.992 120.500 0.000 0.000 2.359 436 R HA 0.089 4.429 4.340 -0.001 0.000 0.231 436 R C -0.646 175.663 176.300 0.016 0.000 0.913 436 R CA 0.337 56.442 56.100 0.007 0.000 1.075 436 R CB 0.155 30.462 30.300 0.012 0.000 1.087 436 R HN 0.372 nan 8.270 nan 0.000 0.515 437 D N 1.295 121.708 120.400 0.022 0.000 2.689 437 D HA -0.198 4.441 4.640 -0.001 0.000 0.237 437 D C -0.163 176.159 176.300 0.037 0.000 1.148 437 D CA 1.027 55.045 54.000 0.030 0.000 0.656 437 D CB -0.960 39.853 40.800 0.021 0.000 1.050 437 D HN 0.455 nan 8.370 nan 0.000 0.426 438 Q N -0.729 119.099 119.800 0.046 0.000 2.135 438 Q HA 0.165 4.505 4.340 -0.001 0.000 0.222 438 Q C 1.692 177.735 176.000 0.071 0.000 0.808 438 Q CA -0.521 55.316 55.803 0.056 0.000 1.049 438 Q CB 0.565 29.340 28.738 0.062 0.000 1.168 438 Q HN 0.108 nan 8.270 nan 0.000 0.483 439 L N 1.144 122.415 121.223 0.080 0.000 2.083 439 L HA -0.155 4.185 4.340 -0.001 0.000 0.209 439 L C 1.430 178.364 176.870 0.106 0.000 1.083 439 L CA 1.986 56.891 54.840 0.108 0.000 0.752 439 L CB 0.082 42.225 42.059 0.139 0.000 0.899 439 L HN 0.232 nan 8.230 nan 0.000 0.433 440 E N -1.236 119.016 120.200 0.086 0.000 2.437 440 E HA 0.039 4.389 4.350 -0.001 0.000 0.189 440 E C 0.061 176.703 176.600 0.070 0.000 1.054 440 E CA -0.124 56.324 56.400 0.079 0.000 0.874 440 E CB 0.181 29.921 29.700 0.066 0.000 1.011 440 E HN 0.546 nan 8.360 nan 0.000 0.474 441 Q N 0.927 120.770 119.800 0.071 0.000 2.278 441 Q HA 0.446 4.785 4.340 -0.001 0.000 0.257 441 Q C -0.500 175.541 176.000 0.070 0.000 0.928 441 Q CA -0.584 55.258 55.803 0.065 0.000 0.932 441 Q CB 1.787 30.561 28.738 0.061 0.000 1.221 441 Q HN 0.086 nan 8.270 nan 0.000 0.434 442 A N 3.854 126.712 122.820 0.063 0.000 2.462 442 A HA 0.392 4.711 4.320 -0.001 0.000 0.243 442 A C -0.453 177.162 177.584 0.051 0.000 1.076 442 A CA -0.014 52.057 52.037 0.057 0.000 0.773 442 A CB 0.244 19.281 19.000 0.063 0.000 1.010 442 A HN 0.724 nan 8.150 nan 0.000 0.493 443 L N 2.028 123.259 121.223 0.013 0.000 2.341 443 L HA 0.385 4.725 4.340 -0.001 0.000 0.267 443 L C -0.356 176.479 176.870 -0.059 0.000 1.009 443 L CA -1.066 53.761 54.840 -0.023 0.000 0.819 443 L CB 1.860 43.854 42.059 -0.108 0.000 1.323 443 L HN 0.632 nan 8.230 nan 0.000 0.425 444 N N 1.182 119.849 118.700 -0.056 0.000 2.472 444 N HA 0.481 5.221 4.740 -0.001 0.000 0.277 444 N C -0.678 174.725 175.510 -0.178 0.000 1.081 444 N CA -0.310 52.703 53.050 -0.061 0.000 0.973 444 N CB 1.550 40.041 38.487 0.006 0.000 1.105 444 N HN 0.681 nan 8.380 nan 0.000 0.470 445 C N -0.296 118.896 119.300 -0.180 0.000 3.236 445 C HA 0.626 5.085 4.460 -0.001 0.000 0.312 445 C C -0.407 174.493 174.990 -0.149 0.000 1.374 445 C CA -0.959 57.921 59.018 -0.230 0.000 1.455 445 C CB 1.185 28.723 27.740 -0.336 0.000 1.834 445 C HN 0.627 nan 8.230 nan 0.000 0.460 446 E N 0.347 120.465 120.200 -0.137 0.000 2.183 446 E HA 0.714 5.063 4.350 -0.001 0.000 0.271 446 E C -1.167 175.366 176.600 -0.112 0.000 0.919 446 E CA -0.360 55.994 56.400 -0.076 0.000 0.781 446 E CB 1.922 31.594 29.700 -0.046 0.000 1.140 446 E HN 0.596 nan 8.360 nan 0.000 0.402 447 I N 3.461 123.967 120.570 -0.106 0.000 2.439 447 I HA 0.156 4.325 4.170 -0.001 0.000 0.285 447 I C -0.885 175.197 176.117 -0.059 0.000 1.021 447 I CA -0.876 60.257 61.300 -0.279 0.000 1.091 447 I CB 0.891 38.397 38.000 -0.824 0.000 1.242 447 I HN 0.629 nan 8.210 nan 0.000 0.439 448 Y N 5.276 125.573 120.300 -0.005 0.000 3.225 448 Y HA -0.264 4.286 4.550 -0.001 0.000 0.211 448 Y C 1.467 177.312 175.900 -0.091 0.000 1.223 448 Y CA 1.082 59.160 58.100 -0.037 0.000 1.284 448 Y CB -2.008 36.408 38.460 -0.073 0.000 1.367 448 Y HN 0.989 nan 8.280 nan 0.000 0.566 449 G N -2.307 106.559 108.800 0.109 0.000 2.268 449 G HA2 -0.025 3.935 3.960 -0.001 0.000 0.240 449 G HA3 -0.025 3.935 3.960 -0.001 0.000 0.240 449 G C 0.469 175.382 174.900 0.021 0.000 1.010 449 G CA 0.114 45.246 45.100 0.053 0.000 0.618 449 G HN 1.540 nan 8.290 nan 0.000 0.516 450 A N -0.476 122.357 122.820 0.021 0.000 2.304 450 A HA 0.650 4.970 4.320 -0.001 0.000 0.301 450 A C 0.625 178.051 177.584 -0.264 0.000 1.132 450 A CA 0.451 52.354 52.037 -0.223 0.000 0.819 450 A CB 1.007 19.764 19.000 -0.406 0.000 1.094 450 A HN 1.534 nan 8.150 nan 0.000 0.492 451 C N 2.223 121.281 119.300 -0.404 0.000 2.369 451 C HA 0.740 5.199 4.460 -0.001 0.000 0.358 451 C C -0.978 173.628 174.990 -0.640 0.000 1.274 451 C CA -0.450 58.404 59.018 -0.273 0.000 1.935 451 C CB -1.403 26.354 27.740 0.028 0.000 2.431 451 C HN 0.645 nan 8.230 nan 0.000 0.545 452 Y N 2.959 123.048 120.300 -0.351 0.000 2.446 452 Y HA 0.436 4.986 4.550 -0.001 0.000 0.345 452 Y C 0.450 176.184 175.900 -0.276 0.000 0.984 452 Y CA -0.335 57.511 58.100 -0.422 0.000 1.058 452 Y CB 1.809 39.926 38.460 -0.571 0.000 1.220 452 Y HN 0.597 nan 8.280 nan 0.000 0.455 453 S N 4.148 119.793 115.700 -0.091 0.000 2.452 453 S HA 0.679 5.148 4.470 -0.001 0.000 0.284 453 S C -0.871 173.755 174.600 0.043 0.000 1.171 453 S CA -0.300 57.908 58.200 0.013 0.000 1.064 453 S CB -0.413 62.830 63.200 0.071 0.000 0.967 453 S HN 0.526 nan 8.310 nan 0.000 0.484 454 I N 3.811 124.392 120.570 0.019 0.000 2.582 454 I HA 0.358 4.528 4.170 -0.001 0.000 0.292 454 I C -0.366 175.775 176.117 0.040 0.000 1.066 454 I CA -0.736 60.593 61.300 0.048 0.000 1.053 454 I CB 2.365 40.368 38.000 0.005 0.000 1.241 454 I HN 0.548 nan 8.210 nan 0.000 0.421 455 E N 6.563 126.809 120.200 0.076 0.000 2.167 455 E HA 0.195 4.545 4.350 -0.001 0.000 0.284 455 E C -1.820 174.841 176.600 0.101 0.000 1.016 455 E CA -1.562 54.886 56.400 0.080 0.000 0.817 455 E CB 1.252 31.003 29.700 0.086 0.000 1.080 455 E HN 0.319 nan 8.360 nan 0.000 0.397 456 P HA -0.168 nan 4.420 nan 0.000 0.219 456 P C 0.911 178.370 177.300 0.265 0.000 1.146 456 P CA 1.039 64.222 63.100 0.139 0.000 0.808 456 P CB 0.235 31.965 31.700 0.049 0.000 0.779 457 L N -0.851 120.508 121.223 0.228 0.000 2.362 457 L HA -0.102 4.238 4.340 -0.001 0.000 0.219 457 L C 1.147 178.124 176.870 0.178 0.000 1.134 457 L CA 1.082 56.069 54.840 0.245 0.000 0.807 457 L CB -0.625 41.540 42.059 0.177 0.000 0.927 457 L HN -0.048 nan 8.230 nan 0.000 0.447 458 D N -0.387 120.105 120.400 0.152 0.000 2.340 458 D HA 0.026 4.666 4.640 -0.001 0.000 0.220 458 D C 2.171 178.550 176.300 0.132 0.000 1.039 458 D CA 0.266 54.332 54.000 0.110 0.000 0.866 458 D CB 0.317 41.170 40.800 0.088 0.000 0.913 458 D HN 0.274 nan 8.370 nan 0.000 0.523 459 L N 0.918 122.263 121.223 0.203 0.000 2.042 459 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 459 L C -0.455 176.535 176.870 0.199 0.000 1.076 459 L CA 1.514 56.493 54.840 0.231 0.000 0.749 459 L CB -1.348 40.915 42.059 0.339 0.000 0.893 459 L HN 0.051 nan 8.230 nan 0.000 0.432 460 P HA -0.114 nan 4.420 nan 0.000 0.215 460 P C -1.407 175.954 177.300 0.102 0.000 1.157 460 P CA 1.503 64.651 63.100 0.080 0.000 0.863 460 P CB -1.124 30.452 31.700 -0.207 0.000 0.787 461 P HA -0.100 nan 4.420 nan 0.000 0.217 461 P C 1.690 178.998 177.300 0.014 0.000 1.150 461 P CA 1.286 64.377 63.100 -0.014 0.000 0.832 461 P CB -0.440 31.229 31.700 -0.052 0.000 0.787 462 I N -0.629 119.960 120.570 0.032 0.000 2.163 462 I HA -0.237 3.933 4.170 -0.001 0.000 0.243 462 I C 2.529 178.682 176.117 0.062 0.000 1.085 462 I CA 1.477 62.782 61.300 0.008 0.000 1.347 462 I CB -0.493 37.559 38.000 0.088 0.000 1.044 462 I HN -0.170 nan 8.210 nan 0.000 0.408 463 I N 0.024 120.689 120.570 0.158 0.000 2.252 463 I HA -0.320 3.850 4.170 -0.001 0.000 0.245 463 I C 2.672 178.828 176.117 0.065 0.000 1.102 463 I CA 1.297 62.703 61.300 0.178 0.000 1.385 463 I CB -0.400 37.725 38.000 0.209 0.000 1.064 463 I HN 0.356 nan 8.210 nan 0.000 0.414 464 Q N 0.926 120.798 119.800 0.119 0.000 2.061 464 Q HA -0.233 4.107 4.340 -0.001 0.000 0.204 464 Q C 2.413 178.409 176.000 -0.007 0.000 0.984 464 Q CA 1.453 57.297 55.803 0.069 0.000 0.846 464 Q CB 0.038 28.878 28.738 0.169 0.000 0.902 464 Q HN 0.325 nan 8.270 nan 0.000 0.421 465 R N 0.099 120.580 120.500 -0.031 0.000 2.081 465 R HA -0.084 4.256 4.340 -0.001 0.000 0.235 465 R C 2.297 178.524 176.300 -0.122 0.000 1.131 465 R CA 1.058 57.109 56.100 -0.082 0.000 0.960 465 R CB -0.455 29.770 30.300 -0.124 0.000 0.856 465 R HN 0.396 nan 8.270 nan 0.000 0.436 466 L N -1.070 120.056 121.223 -0.162 0.000 2.162 466 L HA -0.043 4.296 4.340 -0.001 0.000 0.205 466 L C 1.792 178.367 176.870 -0.491 0.000 1.086 466 L CA 0.923 55.556 54.840 -0.344 0.000 0.778 466 L CB -0.217 41.586 42.059 -0.427 0.000 0.928 466 L HN 0.244 nan 8.230 nan 0.000 0.446 467 H N -0.984 118.013 119.070 -0.121 0.000 3.046 467 H HA 0.307 4.863 4.556 -0.001 0.000 0.262 467 H C 0.899 176.142 175.328 -0.141 0.000 1.044 467 H CA 0.745 56.709 56.048 -0.140 0.000 1.209 467 H CB 1.106 30.759 29.762 -0.181 0.000 1.507 467 H HN 0.274 nan 8.280 nan 0.000 0.507 468 G N 1.015 109.790 108.800 -0.041 0.000 2.781 468 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.683 468 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.683 468 G C 0.657 175.501 174.900 -0.093 0.000 1.390 468 G CA -0.156 44.920 45.100 -0.041 0.000 0.850 468 G HN 0.223 nan 8.290 nan 0.000 0.557 469 L N 1.009 122.234 121.223 0.004 0.000 2.265 469 L HA -0.072 4.268 4.340 -0.001 0.000 0.215 469 L C 3.174 180.050 176.870 0.010 0.000 1.117 469 L CA 2.060 56.958 54.840 0.096 0.000 0.782 469 L CB -0.424 41.760 42.059 0.209 0.000 0.914 469 L HN 0.918 nan 8.230 nan 0.000 0.441 470 S N -0.072 115.603 115.700 -0.042 0.000 2.442 470 S HA -0.170 4.300 4.470 -0.001 0.000 0.236 470 S C 2.120 176.636 174.600 -0.139 0.000 1.007 470 S CA 0.785 58.954 58.200 -0.052 0.000 0.965 470 S CB -0.332 62.835 63.200 -0.056 0.000 0.773 470 S HN 0.367 nan 8.310 nan 0.000 0.504 471 A N 0.870 123.509 122.820 -0.300 0.000 2.024 471 A HA 0.105 4.424 4.320 -0.001 0.000 0.220 471 A C 1.527 178.907 177.584 -0.341 0.000 1.164 471 A CA 1.153 52.935 52.037 -0.424 0.000 0.643 471 A CB -0.873 17.765 19.000 -0.604 0.000 0.806 471 A HN 0.614 nan 8.150 nan 0.000 0.451 472 F N -0.689 119.288 119.950 0.045 0.000 2.765 472 F HA 0.212 4.738 4.527 -0.001 0.000 0.302 472 F C 1.556 177.405 175.800 0.081 0.000 1.111 472 F CA 0.514 58.563 58.000 0.080 0.000 1.359 472 F CB 0.154 39.230 39.000 0.127 0.000 1.097 472 F HN 0.071 nan 8.300 nan 0.000 0.577 473 S N -0.569 115.229 115.700 0.162 0.000 2.847 473 S HA 0.303 4.773 4.470 -0.001 0.000 0.254 473 S C 0.382 175.052 174.600 0.117 0.000 1.039 473 S CA -0.327 57.962 58.200 0.148 0.000 1.113 473 S CB 0.337 63.615 63.200 0.130 0.000 1.092 473 S HN -0.005 nan 8.310 nan 0.000 0.620 474 L N 3.281 124.498 121.223 -0.010 0.000 2.483 474 L HA 0.311 4.651 4.340 -0.001 0.000 0.276 474 L C 0.547 177.325 176.870 -0.152 0.000 1.213 474 L CA 0.391 55.113 54.840 -0.198 0.000 0.843 474 L CB 0.128 41.940 42.059 -0.412 0.000 1.107 474 L HN 0.543 nan 8.230 nan 0.000 0.487 475 H N -1.823 117.020 119.070 -0.378 0.000 2.905 475 H HA 0.352 4.907 4.556 -0.001 0.000 0.280 475 H C -0.318 174.839 175.328 -0.284 0.000 1.445 475 H CA -0.805 55.078 56.048 -0.275 0.000 1.165 475 H CB 0.881 30.610 29.762 -0.057 0.000 1.857 475 H HN 0.374 nan 8.280 nan 0.000 0.567 476 S N -0.438 115.269 115.700 0.012 0.000 3.484 476 S HA -0.237 4.232 4.470 -0.001 0.000 0.384 476 S C -0.669 173.939 174.600 0.014 0.000 0.932 476 S CA 0.538 58.766 58.200 0.047 0.000 1.293 476 S CB -2.405 60.782 63.200 -0.022 0.000 0.919 476 S HN 0.496 nan 8.310 nan 0.000 0.540 477 Y N 1.648 121.989 120.300 0.070 0.000 2.330 477 Y HA 0.325 4.874 4.550 -0.001 0.000 0.341 477 Y C 1.397 177.350 175.900 0.089 0.000 1.278 477 Y CA 0.241 58.384 58.100 0.071 0.000 1.453 477 Y CB 0.411 38.906 38.460 0.058 0.000 1.342 477 Y HN 0.523 nan 8.280 nan 0.000 0.590 478 S N 1.290 117.150 115.700 0.266 0.000 2.576 478 S HA 0.147 4.616 4.470 -0.001 0.000 0.276 478 S C -2.030 172.651 174.600 0.136 0.000 1.339 478 S CA -1.124 57.170 58.200 0.158 0.000 1.039 478 S CB 1.235 64.503 63.200 0.112 0.000 0.902 478 S HN 0.430 nan 8.310 nan 0.000 0.516 479 P HA -0.002 nan 4.420 nan 0.000 0.216 479 P C 1.689 179.027 177.300 0.063 0.000 1.150 479 P CA 1.634 64.780 63.100 0.076 0.000 0.837 479 P CB -0.427 31.308 31.700 0.059 0.000 0.786 480 G N -0.200 108.634 108.800 0.057 0.000 2.408 480 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.217 480 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.217 480 G C 1.663 176.587 174.900 0.040 0.000 1.150 480 G CA 0.779 45.902 45.100 0.039 0.000 0.776 480 G HN 0.260 nan 8.290 nan 0.000 0.542 481 E N 0.692 120.933 120.200 0.069 0.000 2.047 481 E HA -0.031 4.318 4.350 -0.001 0.000 0.191 481 E C 2.422 179.054 176.600 0.054 0.000 0.987 481 E CA 0.716 57.164 56.400 0.080 0.000 0.799 481 E CB -0.410 29.390 29.700 0.167 0.000 0.752 481 E HN 0.464 nan 8.360 nan 0.000 0.449 482 I N 0.890 121.501 120.570 0.068 0.000 2.208 482 I HA -0.307 3.862 4.170 -0.001 0.000 0.245 482 I C 1.836 177.969 176.117 0.025 0.000 1.097 482 I CA 1.165 62.491 61.300 0.043 0.000 1.363 482 I CB -0.391 37.652 38.000 0.071 0.000 1.051 482 I HN 0.173 nan 8.210 nan 0.000 0.413 483 N N 0.569 119.286 118.700 0.028 0.000 2.188 483 N HA -0.181 4.558 4.740 -0.001 0.000 0.184 483 N C 1.868 177.377 175.510 -0.002 0.000 1.018 483 N CA 1.053 54.112 53.050 0.016 0.000 0.858 483 N CB -0.404 38.094 38.487 0.019 0.000 0.989 483 N HN 0.320 nan 8.380 nan 0.000 0.426 484 R N 0.765 121.258 120.500 -0.012 0.000 2.081 484 R HA -0.030 4.310 4.340 -0.001 0.000 0.235 484 R C 1.815 178.072 176.300 -0.071 0.000 1.131 484 R CA 0.972 57.046 56.100 -0.044 0.000 0.960 484 R CB -0.189 30.077 30.300 -0.057 0.000 0.856 484 R HN -0.040 nan 8.270 nan 0.000 0.436 485 V N 1.120 120.997 119.914 -0.062 0.000 2.295 485 V HA -0.240 3.880 4.120 -0.001 0.000 0.246 485 V C 2.501 178.569 176.094 -0.044 0.000 1.049 485 V CA 1.948 64.202 62.300 -0.077 0.000 1.024 485 V CB -0.816 30.988 31.823 -0.032 0.000 0.648 485 V HN 0.572 nan 8.190 nan 0.000 0.447 486 A N 0.086 122.898 122.820 -0.014 0.000 1.883 486 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 486 A C 2.428 180.014 177.584 0.003 0.000 1.186 486 A CA 2.427 54.468 52.037 0.006 0.000 0.624 486 A CB -0.902 18.109 19.000 0.018 0.000 0.822 486 A HN 0.604 nan 8.150 nan 0.000 0.444 487 A N -1.259 121.556 122.820 -0.007 0.000 1.933 487 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 487 A C 2.405 179.983 177.584 -0.010 0.000 1.175 487 A CA 1.706 53.741 52.037 -0.004 0.000 0.628 487 A CB -1.427 17.567 19.000 -0.010 0.000 0.814 487 A HN 0.854 nan 8.150 nan 0.000 0.444 488 C N -0.225 119.052 119.300 -0.038 0.000 2.432 488 C HA -0.066 4.394 4.460 -0.001 0.000 0.277 488 C C 2.632 177.607 174.990 -0.025 0.000 1.249 488 C CA 1.238 60.225 59.018 -0.052 0.000 1.725 488 C CB -1.541 26.126 27.740 -0.121 0.000 2.028 488 C HN 0.585 nan 8.230 nan 0.000 0.477 489 L N 0.266 121.481 121.223 -0.014 0.000 2.056 489 L HA -0.093 4.246 4.340 -0.001 0.000 0.207 489 L C 3.015 179.889 176.870 0.008 0.000 1.078 489 L CA 1.572 56.418 54.840 0.010 0.000 0.749 489 L CB -0.872 41.216 42.059 0.048 0.000 0.901 489 L HN 0.343 nan 8.230 nan 0.000 0.433 490 R N 0.474 120.988 120.500 0.024 0.000 2.081 490 R HA -0.182 4.157 4.340 -0.001 0.000 0.235 490 R C 2.362 178.712 176.300 0.085 0.000 1.131 490 R CA 1.409 57.535 56.100 0.045 0.000 0.960 490 R CB -0.274 30.054 30.300 0.048 0.000 0.856 490 R HN 0.301 nan 8.270 nan 0.000 0.436 491 K N 1.119 121.564 120.400 0.075 0.000 2.026 491 K HA -0.118 4.202 4.320 -0.001 0.000 0.208 491 K C 1.804 178.528 176.600 0.207 0.000 1.048 491 K CA 1.291 57.649 56.287 0.119 0.000 0.929 491 K CB 0.011 32.549 32.500 0.064 0.000 0.713 491 K HN 0.138 nan 8.250 nan 0.000 0.439 492 L N -0.196 121.075 121.223 0.079 0.000 2.558 492 L HA 0.158 4.498 4.340 -0.001 0.000 0.225 492 L C 0.755 177.481 176.870 -0.241 0.000 1.128 492 L CA 0.354 55.217 54.840 0.038 0.000 0.868 492 L CB 0.189 42.256 42.059 0.013 0.000 1.006 492 L HN 0.582 nan 8.230 nan 0.000 0.454 493 G N 1.234 109.742 108.800 -0.487 0.000 2.298 493 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.287 493 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.287 493 G C -0.136 174.610 174.900 -0.257 0.000 1.075 493 G CA 0.017 44.676 45.100 -0.735 0.000 0.960 493 G HN 0.096 nan 8.290 nan 0.000 0.502 494 V N 0.717 120.580 119.914 -0.085 0.000 2.481 494 V HA 0.470 4.589 4.120 -0.001 0.000 0.286 494 V C -1.215 174.962 176.094 0.139 0.000 1.042 494 V CA -1.665 60.684 62.300 0.082 0.000 0.928 494 V CB 1.692 33.592 31.823 0.129 0.000 0.986 494 V HN 0.211 nan 8.190 nan 0.000 0.462 495 P HA 0.169 nan 4.420 nan 0.000 0.268 495 P C -2.531 174.893 177.300 0.206 0.000 1.208 495 P CA -0.835 62.283 63.100 0.030 0.000 0.777 495 P CB -0.163 31.342 31.700 -0.324 0.000 0.875 496 P HA 0.090 nan 4.420 nan 0.000 0.272 496 P C 0.834 178.319 177.300 0.308 0.000 1.240 496 P CA -0.037 63.172 63.100 0.182 0.000 0.791 496 P CB 0.649 32.408 31.700 0.099 0.000 0.978 497 L N 0.562 121.960 121.223 0.291 0.000 2.079 497 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 497 L C 2.728 179.776 176.870 0.297 0.000 1.081 497 L CA 1.674 56.708 54.840 0.323 0.000 0.752 497 L CB -0.696 41.454 42.059 0.153 0.000 0.896 497 L HN 0.383 nan 8.230 nan 0.000 0.433 498 R N -0.132 120.485 120.500 0.195 0.000 2.148 498 R HA -0.103 4.236 4.340 -0.001 0.000 0.227 498 R C 2.425 178.821 176.300 0.161 0.000 1.103 498 R CA 1.123 57.316 56.100 0.156 0.000 0.983 498 R CB -0.364 30.000 30.300 0.107 0.000 0.874 498 R HN 0.373 nan 8.270 nan 0.000 0.451 499 A N 0.225 123.117 122.820 0.121 0.000 1.898 499 A HA -0.146 4.174 4.320 -0.001 0.000 0.216 499 A C 1.647 179.228 177.584 -0.004 0.000 1.181 499 A CA 0.807 52.856 52.037 0.019 0.000 0.620 499 A CB -0.732 18.171 19.000 -0.162 0.000 0.819 499 A HN 0.412 nan 8.150 nan 0.000 0.442 500 W N -0.183 121.217 121.300 0.167 0.000 2.363 500 W HA -0.096 4.563 4.660 -0.001 0.000 0.296 500 W C 2.530 179.239 176.519 0.316 0.000 1.212 500 W CA 1.445 58.924 57.345 0.223 0.000 1.260 500 W CB -0.107 29.482 29.460 0.215 0.000 1.131 500 W HN 0.296 nan 8.180 nan 0.000 0.530 501 R N -0.280 120.523 120.500 0.506 0.000 2.081 501 R HA -0.188 4.152 4.340 -0.001 0.000 0.235 501 R C 1.821 178.194 176.300 0.122 0.000 1.131 501 R CA 2.095 58.433 56.100 0.397 0.000 0.960 501 R CB -0.705 29.775 30.300 0.299 0.000 0.856 501 R HN 0.286 nan 8.270 nan 0.000 0.436 502 H N -0.900 118.230 119.070 0.100 0.000 2.319 502 H HA -0.122 4.434 4.556 -0.001 0.000 0.299 502 H C 2.200 177.516 175.328 -0.020 0.000 1.092 502 H CA 1.811 57.865 56.048 0.011 0.000 1.302 502 H CB 0.087 29.840 29.762 -0.015 0.000 1.373 502 H HN 0.019 nan 8.280 nan 0.000 0.497 503 R N 1.133 121.712 120.500 0.132 0.000 2.081 503 R HA -0.042 4.298 4.340 -0.001 0.000 0.235 503 R C 2.254 178.561 176.300 0.012 0.000 1.131 503 R CA 1.423 57.556 56.100 0.056 0.000 0.960 503 R CB -0.853 29.474 30.300 0.044 0.000 0.856 503 R HN 0.337 nan 8.270 nan 0.000 0.436 504 A N 0.570 123.424 122.820 0.056 0.000 1.908 504 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 504 A C 2.219 179.567 177.584 -0.394 0.000 1.181 504 A CA 1.750 53.663 52.037 -0.206 0.000 0.627 504 A CB -0.477 18.483 19.000 -0.066 0.000 0.818 504 A HN 0.395 nan 8.150 nan 0.000 0.445 505 R N -0.285 120.075 120.500 -0.233 0.000 2.105 505 R HA -0.084 4.255 4.340 -0.001 0.000 0.239 505 R C 2.526 178.722 176.300 -0.174 0.000 1.135 505 R CA 1.619 57.595 56.100 -0.206 0.000 0.967 505 R CB -0.343 29.888 30.300 -0.116 0.000 0.861 505 R HN 0.522 nan 8.270 nan 0.000 0.442 506 S N 0.107 115.730 115.700 -0.127 0.000 2.355 506 S HA -0.084 4.386 4.470 -0.001 0.000 0.222 506 S C 2.107 176.617 174.600 -0.149 0.000 1.031 506 S CA 1.130 59.267 58.200 -0.105 0.000 0.993 506 S CB -0.128 63.032 63.200 -0.065 0.000 0.859 506 S HN 0.055 nan 8.310 nan 0.000 0.453 507 V N 2.318 122.103 119.914 -0.216 0.000 2.287 507 V HA -0.227 3.892 4.120 -0.001 0.000 0.248 507 V C 2.542 178.433 176.094 -0.339 0.000 1.053 507 V CA 2.058 64.196 62.300 -0.269 0.000 1.027 507 V CB -0.675 30.910 31.823 -0.396 0.000 0.646 507 V HN 0.410 nan 8.190 nan 0.000 0.447 508 R N 0.258 120.472 120.500 -0.478 0.000 2.083 508 R HA -0.194 4.145 4.340 -0.001 0.000 0.237 508 R C 2.312 178.512 176.300 -0.167 0.000 1.137 508 R CA 1.863 57.759 56.100 -0.340 0.000 0.951 508 R CB -0.509 29.600 30.300 -0.318 0.000 0.851 508 R HN 0.474 nan 8.270 nan 0.000 0.434 509 A N 1.278 124.011 122.820 -0.145 0.000 1.908 509 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 509 A C 2.212 179.758 177.584 -0.063 0.000 1.181 509 A CA 1.417 53.401 52.037 -0.089 0.000 0.627 509 A CB -0.513 18.441 19.000 -0.077 0.000 0.818 509 A HN 0.359 nan 8.150 nan 0.000 0.445 510 R N -0.658 119.803 120.500 -0.066 0.000 2.091 510 R HA -0.093 4.246 4.340 -0.001 0.000 0.238 510 R C 2.108 178.400 176.300 -0.013 0.000 1.136 510 R CA 1.517 57.597 56.100 -0.033 0.000 0.959 510 R CB -0.628 29.656 30.300 -0.026 0.000 0.856 510 R HN 0.544 nan 8.270 nan 0.000 0.437 511 L N 0.648 121.858 121.223 -0.022 0.000 2.046 511 L HA -0.183 4.157 4.340 -0.001 0.000 0.208 511 L C 2.483 179.356 176.870 0.005 0.000 1.077 511 L CA 1.138 55.984 54.840 0.010 0.000 0.747 511 L CB -0.474 41.584 42.059 -0.001 0.000 0.896 511 L HN 0.177 nan 8.230 nan 0.000 0.432 512 L N -0.296 120.917 121.223 -0.017 0.000 2.079 512 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 512 L C 2.862 179.729 176.870 -0.006 0.000 1.081 512 L CA 1.638 56.470 54.840 -0.013 0.000 0.752 512 L CB -0.708 41.333 42.059 -0.030 0.000 0.896 512 L HN 0.429 nan 8.230 nan 0.000 0.433 513 S N -0.281 115.415 115.700 -0.008 0.000 2.447 513 S HA -0.145 4.325 4.470 -0.001 0.000 0.233 513 S C 1.969 176.573 174.600 0.007 0.000 1.006 513 S CA 0.572 58.770 58.200 -0.003 0.000 0.957 513 S CB -0.314 62.882 63.200 -0.007 0.000 0.773 513 S HN 0.414 nan 8.310 nan 0.000 0.507 514 R N 1.334 121.843 120.500 0.016 0.000 2.236 514 R HA 0.256 4.595 4.340 -0.001 0.000 0.208 514 R C 1.551 177.867 176.300 0.026 0.000 1.036 514 R CA 0.391 56.507 56.100 0.026 0.000 1.001 514 R CB -0.814 29.511 30.300 0.042 0.000 0.896 514 R HN 0.582 nan 8.270 nan 0.000 0.464 515 G N 0.095 108.908 108.800 0.022 0.000 2.804 515 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.230 515 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.230 515 G C 0.448 175.366 174.900 0.029 0.000 1.386 515 G CA -0.210 44.903 45.100 0.021 0.000 0.875 515 G HN 0.604 nan 8.290 nan 0.000 0.557 516 G N -0.833 107.982 108.800 0.025 0.000 2.596 516 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.295 516 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.295 516 G C 1.197 176.115 174.900 0.030 0.000 1.240 516 G CA 1.415 46.531 45.100 0.027 0.000 0.985 516 G HN 1.451 nan 8.290 nan 0.000 0.555 517 R N 0.341 120.863 120.500 0.037 0.000 2.096 517 R HA 0.086 4.426 4.340 -0.001 0.000 0.235 517 R C 3.241 179.578 176.300 0.062 0.000 1.127 517 R CA 1.885 58.010 56.100 0.042 0.000 0.968 517 R CB -0.594 29.740 30.300 0.056 0.000 0.861 517 R HN 0.687 nan 8.270 nan 0.000 0.440 518 A N 1.354 124.221 122.820 0.078 0.000 1.908 518 A HA -0.154 4.166 4.320 -0.001 0.000 0.218 518 A C 2.367 179.982 177.584 0.053 0.000 1.181 518 A CA 1.797 53.890 52.037 0.093 0.000 0.627 518 A CB -0.614 18.445 19.000 0.099 0.000 0.818 518 A HN 0.402 nan 8.150 nan 0.000 0.445 519 A N -0.358 122.486 122.820 0.040 0.000 1.969 519 A HA -0.026 4.294 4.320 -0.001 0.000 0.218 519 A C 2.080 179.690 177.584 0.042 0.000 1.169 519 A CA 1.400 53.455 52.037 0.030 0.000 0.635 519 A CB -0.546 18.469 19.000 0.025 0.000 0.810 519 A HN 0.514 nan 8.150 nan 0.000 0.445 520 I N -0.774 119.822 120.570 0.045 0.000 2.315 520 I HA -0.285 3.884 4.170 -0.001 0.000 0.248 520 I C 2.401 178.543 176.117 0.042 0.000 1.117 520 I CA 0.824 62.163 61.300 0.065 0.000 1.404 520 I CB -0.423 37.551 38.000 -0.042 0.000 1.071 520 I HN 0.375 nan 8.210 nan 0.000 0.419 521 C N 0.862 120.153 119.300 -0.014 0.000 2.413 521 C HA -0.131 4.328 4.460 -0.001 0.000 0.276 521 C C 3.004 177.961 174.990 -0.055 0.000 1.236 521 C CA 1.148 60.103 59.018 -0.105 0.000 1.735 521 C CB -1.765 25.856 27.740 -0.199 0.000 2.031 521 C HN 0.662 nan 8.230 nan 0.000 0.474 522 G N 0.238 109.048 108.800 0.016 0.000 2.446 522 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.217 522 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.217 522 G C 1.611 176.540 174.900 0.048 0.000 1.168 522 G CA 1.286 46.435 45.100 0.082 0.000 0.771 522 G HN 0.655 nan 8.290 nan 0.000 0.551 523 K N -0.808 119.592 120.400 0.000 0.000 2.002 523 K HA -0.083 4.236 4.320 -0.001 0.000 0.209 523 K C 2.245 178.709 176.600 -0.227 0.000 1.048 523 K CA 1.324 57.551 56.287 -0.100 0.000 0.930 523 K CB -0.309 32.144 32.500 -0.078 0.000 0.714 523 K HN 0.453 nan 8.250 nan 0.000 0.438 524 Y N 0.478 120.597 120.300 -0.301 0.000 2.262 524 Y HA 0.022 4.572 4.550 -0.000 0.000 0.295 524 Y C 2.025 177.649 175.900 -0.461 0.000 1.121 524 Y CA 0.627 58.387 58.100 -0.567 0.000 1.144 524 Y CB 0.111 37.949 38.460 -1.037 0.000 1.043 524 Y HN -0.053 nan 8.280 nan 0.000 0.528 525 L N -1.610 119.466 121.223 -0.246 0.000 2.217 525 L HA -0.126 4.213 4.340 -0.001 0.000 0.211 525 L C 0.590 177.181 176.870 -0.466 0.000 1.107 525 L CA 1.253 55.894 54.840 -0.331 0.000 0.783 525 L CB -0.252 41.414 42.059 -0.656 0.000 0.919 525 L HN 0.216 nan 8.230 nan 0.000 0.442 526 F N -1.721 118.155 119.950 -0.123 0.000 2.735 526 F HA 0.185 4.711 4.527 -0.001 0.000 0.308 526 F C 1.601 177.069 175.800 -0.554 0.000 1.112 526 F CA -0.428 57.274 58.000 -0.496 0.000 1.235 526 F CB -0.442 38.297 39.000 -0.435 0.000 1.027 526 F HN -0.091 nan 8.300 nan 0.000 0.528 527 N N 1.153 119.760 118.700 -0.155 0.000 2.289 527 N HA -0.200 4.540 4.740 -0.001 0.000 0.184 527 N C 2.017 177.498 175.510 -0.048 0.000 1.016 527 N CA 1.666 54.650 53.050 -0.111 0.000 0.872 527 N CB -0.220 38.218 38.487 -0.081 0.000 0.973 527 N HN 0.541 nan 8.380 nan 0.000 0.433 528 W N -0.382 120.961 121.300 0.071 0.000 2.421 528 W HA 0.044 4.703 4.660 -0.001 0.000 0.270 528 W C 1.138 177.706 176.519 0.083 0.000 1.233 528 W CA 0.730 58.122 57.345 0.079 0.000 1.226 528 W CB -0.797 28.724 29.460 0.100 0.000 1.121 528 W HN 0.064 nan 8.180 nan 0.000 0.579 529 A N 1.314 123.799 122.820 -0.559 0.000 2.251 529 A HA 0.285 4.605 4.320 -0.001 0.000 0.209 529 A C 0.794 178.245 177.584 -0.223 0.000 1.187 529 A CA 0.843 52.551 52.037 -0.549 0.000 0.823 529 A CB -0.716 17.639 19.000 -1.076 0.000 0.846 529 A HN 0.150 nan 8.150 nan 0.000 0.486 530 V N -3.634 116.189 119.914 -0.152 0.000 2.715 530 V HA 0.544 4.663 4.120 -0.001 0.000 0.310 530 V C 0.980 177.046 176.094 -0.047 0.000 1.054 530 V CA -0.675 61.566 62.300 -0.097 0.000 0.928 530 V CB 1.590 33.349 31.823 -0.107 0.000 1.007 530 V HN 0.365 nan 8.190 nan 0.000 0.437 531 R N 1.541 122.017 120.500 -0.039 0.000 2.075 531 R HA 0.046 4.386 4.340 -0.001 0.000 0.226 531 R C 0.710 176.990 176.300 -0.033 0.000 1.114 531 R CA 1.349 57.433 56.100 -0.026 0.000 0.972 531 R CB -0.104 30.182 30.300 -0.023 0.000 0.869 531 R HN 0.825 nan 8.270 nan 0.000 0.437 532 T N 2.491 117.022 114.554 -0.040 0.000 2.782 532 T HA 0.170 4.519 4.350 -0.001 0.000 0.298 532 T C -0.651 174.018 174.700 -0.052 0.000 0.944 532 T CA -0.144 61.931 62.100 -0.042 0.000 1.001 532 T CB 0.940 69.784 68.868 -0.039 0.000 0.932 532 T HN 0.027 nan 8.240 nan 0.000 0.524 533 K N 2.861 123.231 120.400 -0.050 0.000 2.270 533 K HA 0.409 4.729 4.320 -0.001 0.000 0.276 533 K C 0.248 176.804 176.600 -0.074 0.000 1.023 533 K CA -0.335 55.916 56.287 -0.061 0.000 0.955 533 K CB 0.545 33.017 32.500 -0.048 0.000 0.975 533 K HN 0.465 nan 8.250 nan 0.000 0.471 534 L N 2.196 123.356 121.223 -0.104 0.000 2.456 534 L HA 0.271 4.611 4.340 -0.001 0.000 0.257 534 L C 0.155 176.944 176.870 -0.135 0.000 1.162 534 L CA -0.812 53.954 54.840 -0.123 0.000 0.808 534 L CB 0.580 42.540 42.059 -0.164 0.000 1.136 534 L HN 0.316 nan 8.230 nan 0.000 0.466 535 K N 2.410 122.738 120.400 -0.120 0.000 2.285 535 K HA 0.378 4.697 4.320 -0.001 0.000 0.286 535 K C -0.700 175.806 176.600 -0.156 0.000 1.072 535 K CA 0.136 56.364 56.287 -0.100 0.000 0.913 535 K CB 0.389 32.858 32.500 -0.052 0.000 1.067 535 K HN 0.361 nan 8.250 nan 0.000 0.479 536 L N 4.431 125.556 121.223 -0.163 0.000 2.288 536 L HA 0.246 4.586 4.340 -0.001 0.000 0.283 536 L C 0.526 177.437 176.870 0.068 0.000 1.072 536 L CA -0.599 54.101 54.840 -0.233 0.000 0.862 536 L CB 0.084 42.000 42.059 -0.238 0.000 1.245 536 L HN 0.685 nan 8.230 nan 0.000 0.432 537 T N 0.290 114.930 114.554 0.143 0.000 2.912 537 T HA 0.507 4.856 4.350 -0.001 0.000 0.280 537 T C -2.543 172.299 174.700 0.236 0.000 0.989 537 T CA -2.252 59.946 62.100 0.164 0.000 0.995 537 T CB 1.213 70.143 68.868 0.103 0.000 1.077 537 T HN 0.138 nan 8.240 nan 0.000 0.531 538 P HA 0.203 nan 4.420 nan 0.000 0.263 538 P C -0.396 176.933 177.300 0.048 0.000 1.195 538 P CA -0.057 63.104 63.100 0.101 0.000 0.762 538 P CB -0.041 31.696 31.700 0.061 0.000 0.799 539 I N 2.369 122.916 120.570 -0.038 0.000 2.533 539 I HA 0.020 4.190 4.170 -0.001 0.000 0.284 539 I C 1.680 177.756 176.117 -0.067 0.000 1.109 539 I CA -0.095 61.122 61.300 -0.138 0.000 1.412 539 I CB 0.802 38.620 38.000 -0.303 0.000 1.396 539 I HN 0.422 nan 8.210 nan 0.000 0.543 540 A N 6.088 128.879 122.820 -0.049 0.000 1.883 540 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 540 A C 2.399 179.959 177.584 -0.039 0.000 1.186 540 A CA 1.973 53.992 52.037 -0.030 0.000 0.624 540 A CB -0.711 18.277 19.000 -0.019 0.000 0.822 540 A HN 0.876 nan 8.150 nan 0.000 0.444 541 A N -0.363 122.427 122.820 -0.051 0.000 2.076 541 A HA 0.170 4.490 4.320 -0.001 0.000 0.220 541 A C 2.360 179.910 177.584 -0.055 0.000 1.160 541 A CA 1.838 53.846 52.037 -0.048 0.000 0.653 541 A CB -0.865 18.108 19.000 -0.046 0.000 0.801 541 A HN 1.139 nan 8.150 nan 0.000 0.455 542 A N -0.453 122.331 122.820 -0.061 0.000 2.024 542 A HA 0.081 4.401 4.320 -0.001 0.000 0.220 542 A C 2.293 179.839 177.584 -0.064 0.000 1.164 542 A CA 1.877 53.877 52.037 -0.061 0.000 0.643 542 A CB -1.106 17.867 19.000 -0.045 0.000 0.806 542 A HN 0.679 nan 8.150 nan 0.000 0.451 543 G N -0.568 108.202 108.800 -0.050 0.000 2.394 543 G HA2 -0.139 3.821 3.960 -0.001 0.000 0.215 543 G HA3 -0.139 3.821 3.960 -0.001 0.000 0.215 543 G C 1.483 176.351 174.900 -0.053 0.000 1.165 543 G CA 0.403 45.476 45.100 -0.046 0.000 0.784 543 G HN 0.561 nan 8.290 nan 0.000 0.535 544 R N 0.059 120.529 120.500 -0.049 0.000 2.340 544 R HA 0.277 4.616 4.340 -0.001 0.000 0.215 544 R C 0.299 176.561 176.300 -0.065 0.000 1.017 544 R CA -0.290 55.781 56.100 -0.048 0.000 1.111 544 R CB -0.270 30.010 30.300 -0.034 0.000 1.049 544 R HN 0.300 nan 8.270 nan 0.000 0.490 548 S N 0.404 116.003 115.700 -0.168 0.000 2.555 548 S HA 0.383 4.852 4.470 -0.001 0.000 0.293 548 S C 1.359 175.984 174.600 0.041 0.000 1.248 548 S CA 0.854 59.025 58.200 -0.048 0.000 1.096 548 S CB 0.920 64.101 63.200 -0.032 0.000 0.881 548 S HN 0.729 nan 8.310 nan 0.000 0.498 549 G N 2.984 111.834 108.800 0.084 0.000 2.157 549 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.239 549 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.239 549 G C 0.457 175.509 174.900 0.254 0.000 0.982 549 G CA 0.162 45.345 45.100 0.137 0.000 0.650 549 G HN 0.672 nan 8.290 nan 0.000 0.527 550 W N 0.063 121.279 121.300 -0.140 0.000 2.355 550 W HA 0.357 5.017 4.660 -0.001 0.000 0.309 550 W C 1.271 177.432 176.519 -0.596 0.000 1.206 550 W CA 1.283 58.336 57.345 -0.487 0.000 1.284 550 W CB -0.433 28.579 29.460 -0.748 0.000 1.145 550 W HN 0.248 nan 8.180 nan 0.000 0.502 551 F N 0.400 120.469 119.950 0.199 0.000 2.471 551 F HA 0.230 4.757 4.527 -0.000 0.000 0.318 551 F C 1.023 176.952 175.800 0.214 0.000 1.308 551 F CA -0.015 58.084 58.000 0.164 0.000 1.162 551 F CB 0.028 39.074 39.000 0.078 0.000 1.383 551 F HN -0.227 nan 8.300 nan 0.000 0.552 552 T N -2.288 112.474 114.554 0.347 0.000 3.028 552 T HA 0.715 5.064 4.350 -0.001 0.000 0.250 552 T C 0.523 175.375 174.700 0.253 0.000 0.979 552 T CA 0.382 62.631 62.100 0.248 0.000 1.004 552 T CB 0.430 69.415 68.868 0.195 0.000 1.120 552 T HN 0.223 nan 8.240 nan 0.000 0.482 553 A N 0.183 123.137 122.820 0.225 0.000 2.587 553 A HA 0.812 5.132 4.320 -0.001 0.000 0.293 553 A C -0.108 177.226 177.584 -0.416 0.000 1.087 553 A CA -0.451 51.587 52.037 0.001 0.000 0.692 553 A CB 1.146 20.012 19.000 -0.224 0.000 1.291 553 A HN 0.641 nan 8.150 nan 0.000 0.407 554 G N -0.954 107.346 108.800 -0.833 0.000 2.377 554 G HA2 0.536 4.495 3.960 -0.001 0.000 0.299 554 G HA3 0.536 4.495 3.960 -0.001 0.000 0.299 554 G C -0.816 173.492 174.900 -0.986 0.000 1.150 554 G CA -0.087 44.131 45.100 -1.470 0.000 0.847 554 G HN 0.616 nan 8.290 nan 0.000 0.501 555 Y N 0.545 120.644 120.300 -0.335 0.000 2.768 555 Y HA 0.263 4.813 4.550 -0.000 0.000 0.249 555 Y C 1.257 177.086 175.900 -0.119 0.000 1.146 555 Y CA -0.728 57.276 58.100 -0.160 0.000 1.171 555 Y CB 0.418 38.815 38.460 -0.106 0.000 1.249 555 Y HN 0.389 nan 8.280 nan 0.000 0.567 556 S N 0.896 116.575 115.700 -0.035 0.000 2.575 556 S HA 0.289 4.759 4.470 -0.001 0.000 0.295 556 S C 1.342 175.967 174.600 0.042 0.000 1.267 556 S CA 1.339 59.547 58.200 0.014 0.000 1.074 556 S CB 0.225 63.437 63.200 0.020 0.000 0.829 556 S HN 0.927 nan 8.310 nan 0.000 0.497 557 G N 2.916 111.742 108.800 0.044 0.000 2.205 557 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.261 557 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.261 557 G C 0.761 175.695 174.900 0.056 0.000 0.980 557 G CA 0.235 45.367 45.100 0.055 0.000 0.632 557 G HN 1.054 nan 8.290 nan 0.000 0.533 558 G N -0.164 108.672 108.800 0.060 0.000 3.042 558 G HA2 0.405 4.365 3.960 -0.001 0.000 0.212 558 G HA3 0.405 4.365 3.960 -0.001 0.000 0.212 558 G C 0.439 175.352 174.900 0.023 0.000 1.166 558 G CA 1.152 46.300 45.100 0.079 0.000 0.767 558 G HN 1.252 nan 8.290 nan 0.000 0.546 559 D N -0.431 119.947 120.400 -0.036 0.000 2.718 559 D HA -0.162 4.477 4.640 -0.001 0.000 0.242 559 D C -0.188 176.020 176.300 -0.153 0.000 1.123 559 D CA 0.300 54.240 54.000 -0.100 0.000 0.690 559 D CB -1.194 39.560 40.800 -0.078 0.000 1.059 559 D HN 0.092 nan 8.370 nan 0.000 0.429 560 I N 1.469 121.910 120.570 -0.216 0.000 2.404 560 I HA 0.376 4.545 4.170 -0.001 0.000 0.293 560 I C -0.120 175.732 176.117 -0.442 0.000 0.992 560 I CA -0.778 60.285 61.300 -0.396 0.000 1.149 560 I CB 1.217 38.821 38.000 -0.659 0.000 1.315 560 I HN 0.134 nan 8.210 nan 0.000 0.446 561 Y N 6.049 126.003 120.300 -0.576 0.000 2.361 561 Y HA 0.502 5.052 4.550 -0.001 0.000 0.337 561 Y C -0.420 175.181 175.900 -0.498 0.000 0.965 561 Y CA -0.359 57.436 58.100 -0.508 0.000 1.091 561 Y CB 0.876 39.131 38.460 -0.343 0.000 1.182 561 Y HN 0.528 nan 8.280 nan 0.000 0.450 562 H N 0.000 118.486 119.070 -0.973 0.000 2.539 562 H HA 0.000 4.556 4.556 -0.001 0.000 0.296 562 H CA 0.000 55.590 56.048 -0.763 0.000 1.023 562 H CB 0.000 29.188 29.762 -0.956 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496