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 1mpr_1_C DATA FIRST_RESID 1 DATA SEQUENCE VDFHGYARSG IGWTGSGGEQ QcFQATGAQS KYRLGNEcET YAELKLGQEV DATA SEQUENCE WKEGDKSFYF DTNVAYSVNQ QNDWESTDPA FREANVQGKN LIEWLPGSTI DATA SEQUENCE WAGKRFYQRH DVHMIDFYYW DISGPGAGIE NIDLGFGKLS LAATRSTEAG DATA SEQUENCE GSYTFSSQNI YDEVKDTAND VFDVRLAGLQ TNPDGVLELG VDYGRANTTD DATA SEQUENCE GYKLADGASK DGWMFTAEHT QSMLKGYNKF VVQYATDAMT TQGKGQARGS DATA SEQUENCE DGSSSFTEXX XXXXKINYAN KVINNNGNMW RILDHGAISL GDKWDLMYVG DATA SEQUENCE MYQNIDWDNN LGTEWWTVGV RPMYKWTPIM STLLEVGYDN VKSQQTGDRN DATA SEQUENCE NQYKITLAQQ WQAGDSIWSR PAIRIFATYA KWDEKWGYIK DGDNISRYAA DATA SEQUENCE ATNSGISTNS RGDSDEWTFG AQMEIWW 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 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.157 176.094 0.105 0.000 1.182 1 V CA 0.000 62.349 62.300 0.081 0.000 1.235 1 V CB 0.000 31.860 31.823 0.063 0.000 1.184 2 D N 5.697 126.179 120.400 0.136 0.000 2.280 2 D HA 0.407 5.048 4.640 0.001 0.000 0.243 2 D C -0.795 175.580 176.300 0.126 0.000 1.129 2 D CA 0.265 54.339 54.000 0.122 0.000 0.848 2 D CB 1.588 42.553 40.800 0.276 0.000 1.107 2 D HN 0.399 nan 8.370 nan 0.000 0.471 3 F N 4.314 124.155 119.950 -0.182 0.000 2.411 3 F HA 0.334 4.862 4.527 0.001 0.000 0.352 3 F C -0.560 175.146 175.800 -0.158 0.000 1.123 3 F CA -0.324 57.670 58.000 -0.010 0.000 1.044 3 F CB 0.596 39.675 39.000 0.131 0.000 1.135 3 F HN 0.268 nan 8.300 nan 0.000 0.461 4 H N 2.582 121.514 119.070 -0.230 0.000 2.966 4 H HA 0.796 5.353 4.556 0.001 0.000 0.330 4 H C -0.024 174.465 175.328 -1.398 0.000 1.292 4 H CA -0.524 54.972 56.048 -0.921 0.000 1.127 4 H CB 1.639 31.131 29.762 -0.450 0.000 1.863 4 H HN 0.830 nan 8.280 nan 0.000 0.543 5 G N -0.517 107.228 108.800 -1.759 0.000 2.368 5 G HA2 0.259 4.219 3.960 0.001 0.000 0.269 5 G HA3 0.259 4.219 3.960 0.001 0.000 0.269 5 G C -2.373 171.863 174.900 -1.107 0.000 1.291 5 G CA -0.514 43.760 45.100 -1.377 0.000 0.903 5 G HN 0.580 nan 8.290 nan 0.000 0.483 6 Y N -0.038 119.941 120.300 -0.536 0.000 2.581 6 Y HA 0.775 5.325 4.550 0.001 0.000 0.337 6 Y C -0.781 175.325 175.900 0.343 0.000 1.108 6 Y CA 0.050 58.220 58.100 0.116 0.000 1.033 6 Y CB 1.760 40.353 38.460 0.221 0.000 1.318 6 Y HN 1.906 nan 8.280 nan 0.000 0.459 7 A N 4.705 127.230 122.820 -0.492 0.000 2.594 7 A HA 0.853 5.173 4.320 0.001 0.000 0.296 7 A C -1.836 175.507 177.584 -0.401 0.000 1.061 7 A CA -0.845 51.047 52.037 -0.241 0.000 0.689 7 A CB 1.706 20.745 19.000 0.066 0.000 1.280 7 A HN 1.005 nan 8.150 nan 0.000 0.406 8 R N -0.051 120.398 120.500 -0.086 0.000 2.626 8 R HA 0.892 5.233 4.340 0.001 0.000 0.274 8 R C -1.075 175.268 176.300 0.071 0.000 1.031 8 R CA -0.343 55.764 56.100 0.013 0.000 0.898 8 R CB 1.889 32.281 30.300 0.154 0.000 1.222 8 R HN 1.137 nan 8.270 nan 0.000 0.455 9 S N 0.509 116.241 115.700 0.053 0.000 2.543 9 S HA 0.826 5.296 4.470 0.001 0.000 0.274 9 S C -1.268 173.362 174.600 0.049 0.000 1.149 9 S CA 0.104 58.331 58.200 0.045 0.000 0.866 9 S CB 1.803 65.013 63.200 0.016 0.000 1.111 9 S HN 1.178 nan 8.310 nan 0.000 0.457 10 G N 1.672 110.494 108.800 0.037 0.000 2.489 10 G HA2 0.609 4.569 3.960 0.001 0.000 0.305 10 G HA3 0.609 4.569 3.960 0.001 0.000 0.305 10 G C -2.097 172.784 174.900 -0.032 0.000 1.311 10 G CA -0.367 44.758 45.100 0.043 0.000 0.813 10 G HN 0.994 nan 8.290 nan 0.000 0.480 11 I N -0.073 120.447 120.570 -0.082 0.000 2.619 11 I HA 0.777 4.947 4.170 0.001 0.000 0.292 11 I C -0.002 175.844 176.117 -0.452 0.000 1.100 11 I CA -0.562 60.557 61.300 -0.301 0.000 1.043 11 I CB 1.997 39.796 38.000 -0.335 0.000 1.239 11 I HN 0.986 nan 8.210 nan 0.000 0.420 12 G N 6.013 114.412 108.800 -0.669 0.000 2.694 12 G HA2 0.572 4.533 3.960 0.001 0.000 0.290 12 G HA3 0.572 4.533 3.960 0.001 0.000 0.290 12 G C -2.280 172.069 174.900 -0.918 0.000 1.386 12 G CA -0.485 44.251 45.100 -0.607 0.000 0.872 12 G HN 0.556 nan 8.290 nan 0.000 0.475 13 W N -0.217 120.760 121.300 -0.539 0.000 3.033 13 W HA 0.521 5.182 4.660 0.001 0.000 0.336 13 W C -0.761 175.357 176.519 -0.667 0.000 1.173 13 W CA -0.570 56.384 57.345 -0.652 0.000 1.185 13 W CB 2.510 31.378 29.460 -0.987 0.000 1.425 13 W HN 0.428 nan 8.180 nan 0.000 0.536 14 T N 1.176 115.606 114.554 -0.207 0.000 2.794 14 T HA 0.254 4.604 4.350 0.001 0.000 0.280 14 T C 1.233 175.751 174.700 -0.302 0.000 0.987 14 T CA 0.004 61.989 62.100 -0.191 0.000 0.993 14 T CB 1.754 70.594 68.868 -0.047 0.000 0.939 14 T HN 0.618 nan 8.240 nan 0.000 0.449 15 G N 2.292 110.694 108.800 -0.663 0.000 2.574 15 G HA2 -0.285 3.676 3.960 0.001 0.000 0.220 15 G HA3 -0.285 3.676 3.960 0.001 0.000 0.220 15 G C 1.723 176.517 174.900 -0.176 0.000 1.173 15 G CA 1.416 45.969 45.100 -0.912 0.000 0.772 15 G HN 0.774 nan 8.290 nan 0.000 0.585 16 S N -0.349 115.319 115.700 -0.053 0.000 2.555 16 S HA 0.425 4.896 4.470 0.001 0.000 0.230 16 S C 0.989 175.621 174.600 0.054 0.000 0.978 16 S CA 0.690 58.929 58.200 0.065 0.000 0.934 16 S CB -0.151 63.108 63.200 0.097 0.000 0.766 16 S HN 1.687 nan 8.310 nan 0.000 0.533 17 G N -1.041 107.773 108.800 0.024 0.000 2.379 17 G HA2 0.518 4.479 3.960 0.001 0.000 0.609 17 G HA3 0.518 4.479 3.960 0.001 0.000 0.609 17 G C 0.005 174.928 174.900 0.038 0.000 1.484 17 G CA -0.434 44.693 45.100 0.045 0.000 0.921 17 G HN 1.558 nan 8.290 nan 0.000 0.658 18 G N 0.372 109.209 108.800 0.062 0.000 2.698 18 G HA2 0.259 4.219 3.960 0.001 0.000 0.233 18 G HA3 0.259 4.219 3.960 0.001 0.000 0.233 18 G C 0.194 175.087 174.900 -0.012 0.000 1.352 18 G CA 0.760 45.883 45.100 0.038 0.000 0.879 18 G HN 1.921 nan 8.290 nan 0.000 0.567 19 E N 0.348 120.497 120.200 -0.084 0.000 2.461 19 E HA 0.342 4.692 4.350 0.001 0.000 0.263 19 E C 1.022 177.512 176.600 -0.183 0.000 1.143 19 E CA 0.403 56.687 56.400 -0.194 0.000 0.994 19 E CB 0.306 29.910 29.700 -0.160 0.000 0.973 19 E HN 0.757 nan 8.360 nan 0.000 0.457 20 Q N 0.693 120.347 119.800 -0.244 0.000 2.395 20 Q HA -0.055 4.285 4.340 0.001 0.000 0.271 20 Q C -0.680 175.218 176.000 -0.170 0.000 1.026 20 Q CA 0.362 56.057 55.803 -0.180 0.000 0.900 20 Q CB 0.507 29.157 28.738 -0.147 0.000 1.266 20 Q HN 0.439 nan 8.270 nan 0.000 0.430 21 Q N 1.535 121.210 119.800 -0.208 0.000 2.377 21 Q HA 0.463 4.803 4.340 0.001 0.000 0.271 21 Q C -1.445 174.099 176.000 -0.759 0.000 1.077 21 Q CA -0.817 54.780 55.803 -0.343 0.000 0.820 21 Q CB 2.342 30.961 28.738 -0.199 0.000 1.347 21 Q HN 0.665 nan 8.270 nan 0.000 0.444 22 c N 1.864 120.034 118.600 -0.716 0.000 2.411 22 c HA 0.620 5.190 4.570 0.001 0.000 0.330 22 c C -0.971 172.614 174.090 -0.841 0.000 1.224 22 c CA -0.679 55.178 56.329 -0.787 0.000 1.770 22 c CB -0.051 42.243 42.510 -0.361 0.000 2.297 22 c HN 0.630 nan 8.230 nan 0.000 0.507 23 F N 2.413 122.305 119.950 -0.098 0.000 2.402 23 F HA 0.586 5.114 4.527 0.001 0.000 0.355 23 F C 0.224 175.932 175.800 -0.152 0.000 1.123 23 F CA -0.437 57.450 58.000 -0.188 0.000 1.021 23 F CB 0.679 39.594 39.000 -0.141 0.000 1.160 23 F HN 0.504 nan 8.300 nan 0.000 0.451 24 Q N 2.289 122.039 119.800 -0.083 0.000 2.285 24 Q HA 0.738 5.079 4.340 0.001 0.000 0.269 24 Q C -1.059 174.839 176.000 -0.169 0.000 1.030 24 Q CA -0.952 54.797 55.803 -0.091 0.000 0.788 24 Q CB 2.155 30.825 28.738 -0.113 0.000 1.266 24 Q HN 0.852 nan 8.270 nan 0.000 0.438 25 A N 2.902 125.641 122.820 -0.134 0.000 2.520 25 A HA 0.216 4.536 4.320 0.001 0.000 0.245 25 A C 0.018 177.443 177.584 -0.264 0.000 1.072 25 A CA 0.202 52.126 52.037 -0.189 0.000 0.761 25 A CB 0.118 19.050 19.000 -0.113 0.000 1.004 25 A HN 0.736 nan 8.150 nan 0.000 0.499 26 T N 2.297 116.653 114.554 -0.329 0.000 2.829 26 T HA 0.430 4.781 4.350 0.001 0.000 0.293 26 T C 1.535 175.980 174.700 -0.425 0.000 0.970 26 T CA 1.302 63.179 62.100 -0.370 0.000 1.168 26 T CB 0.437 69.004 68.868 -0.502 0.000 0.911 26 T HN 1.926 nan 8.240 nan 0.000 0.535 27 G N 2.352 111.038 108.800 -0.189 0.000 2.259 27 G HA2 -0.068 3.892 3.960 0.001 0.000 0.217 27 G HA3 -0.068 3.892 3.960 0.001 0.000 0.217 27 G C 0.305 175.003 174.900 -0.338 0.000 1.001 27 G CA -0.197 44.888 45.100 -0.026 0.000 0.627 27 G HN 1.122 nan 8.290 nan 0.000 0.501 28 A N 0.292 122.765 122.820 -0.578 0.000 2.388 28 A HA 0.680 5.000 4.320 0.001 0.000 0.257 28 A C 0.921 177.981 177.584 -0.874 0.000 1.095 28 A CA 0.612 51.924 52.037 -1.209 0.000 0.791 28 A CB 0.389 18.917 19.000 -0.787 0.000 1.029 28 A HN 0.426 nan 8.150 nan 0.000 0.489 29 Q N 0.485 119.581 119.800 -1.173 0.000 2.280 29 Q HA 0.160 4.500 4.340 0.001 0.000 0.202 29 Q C 0.016 175.994 176.000 -0.037 0.000 0.903 29 Q CA 0.509 56.106 55.803 -0.343 0.000 0.948 29 Q CB -0.008 28.750 28.738 0.032 0.000 1.058 29 Q HN 0.875 nan 8.270 nan 0.000 0.493 30 S N -0.195 115.444 115.700 -0.101 0.000 2.661 30 S HA 0.595 5.065 4.470 0.001 0.000 0.268 30 S C -1.503 173.094 174.600 -0.004 0.000 1.162 30 S CA -1.173 57.059 58.200 0.053 0.000 0.817 30 S CB 1.672 64.979 63.200 0.179 0.000 1.141 30 S HN 0.200 nan 8.310 nan 0.000 0.477 31 K N -0.367 120.007 120.400 -0.043 0.000 2.512 31 K HA 0.556 4.877 4.320 0.001 0.000 0.263 31 K C -1.951 174.575 176.600 -0.123 0.000 0.966 31 K CA -0.993 55.281 56.287 -0.022 0.000 0.851 31 K CB 0.931 33.437 32.500 0.010 0.000 1.395 31 K HN 0.573 nan 8.250 nan 0.000 0.440 32 Y N 2.416 122.767 120.300 0.084 0.000 2.587 32 Y HA 0.053 4.604 4.550 0.001 0.000 0.344 32 Y C 1.750 177.674 175.900 0.040 0.000 1.061 32 Y CA -0.012 58.132 58.100 0.074 0.000 1.370 32 Y CB 0.928 39.457 38.460 0.114 0.000 1.163 32 Y HN 0.702 nan 8.280 nan 0.000 0.527 33 R N 2.382 122.906 120.500 0.040 0.000 2.115 33 R HA -0.034 4.307 4.340 0.001 0.000 0.230 33 R C 0.372 176.668 176.300 -0.006 0.000 1.111 33 R CA 0.488 56.588 56.100 -0.000 0.000 0.976 33 R CB -0.125 30.142 30.300 -0.056 0.000 0.870 33 R HN 0.521 nan 8.270 nan 0.000 0.445 34 L N 2.841 124.085 121.223 0.035 0.000 2.660 34 L HA -0.005 4.335 4.340 0.001 0.000 0.272 34 L C 0.338 177.113 176.870 -0.158 0.000 1.194 34 L CA 1.634 56.465 54.840 -0.015 0.000 0.945 34 L CB 0.110 42.211 42.059 0.071 0.000 1.212 34 L HN 0.856 nan 8.230 nan 0.000 0.490 35 G N 3.815 112.318 108.800 -0.494 0.000 2.283 35 G HA2 -0.341 3.619 3.960 0.001 0.000 0.280 35 G HA3 -0.341 3.619 3.960 0.001 0.000 0.280 35 G C 0.388 174.969 174.900 -0.532 0.000 1.029 35 G CA 0.741 45.090 45.100 -1.251 0.000 0.840 35 G HN 0.798 nan 8.290 nan 0.000 0.505 36 N N -0.108 118.430 118.700 -0.270 0.000 2.545 36 N HA 0.190 4.930 4.740 0.001 0.000 0.283 36 N C -0.559 174.880 175.510 -0.118 0.000 1.596 36 N CA -0.127 52.850 53.050 -0.121 0.000 0.862 36 N CB 0.597 39.091 38.487 0.011 0.000 1.422 36 N HN 0.552 nan 8.380 nan 0.000 0.489 37 E N -0.196 119.933 120.200 -0.119 0.000 2.191 37 E HA 0.344 4.694 4.350 0.001 0.000 0.263 37 E C -0.449 176.123 176.600 -0.047 0.000 0.881 37 E CA -0.528 55.837 56.400 -0.059 0.000 0.757 37 E CB 1.349 31.047 29.700 -0.004 0.000 1.147 37 E HN 0.206 nan 8.360 nan 0.000 0.414 38 c N 3.492 122.057 118.600 -0.058 0.000 2.563 38 c HA 0.174 4.745 4.570 0.001 0.000 0.307 38 c C 0.035 174.108 174.090 -0.028 0.000 1.371 38 c CA -0.327 55.965 56.329 -0.061 0.000 1.772 38 c CB -1.264 41.180 42.510 -0.111 0.000 2.283 38 c HN 0.613 nan 8.230 nan 0.000 0.570 39 E N -0.980 119.230 120.200 0.017 0.000 2.433 39 E HA 0.275 4.625 4.350 0.001 0.000 0.278 39 E C -1.476 175.188 176.600 0.106 0.000 0.976 39 E CA -0.363 56.068 56.400 0.051 0.000 0.793 39 E CB 0.863 30.602 29.700 0.065 0.000 1.311 39 E HN -0.066 nan 8.360 nan 0.000 0.460 40 T N 2.104 116.726 114.554 0.112 0.000 2.733 40 T HA 0.353 4.703 4.350 0.001 0.000 0.294 40 T C -1.318 173.521 174.700 0.231 0.000 0.956 40 T CA -0.191 61.988 62.100 0.131 0.000 0.987 40 T CB -0.373 68.534 68.868 0.065 0.000 0.920 40 T HN 0.357 nan 8.240 nan 0.000 0.470 41 Y N 2.669 123.062 120.300 0.155 0.000 2.425 41 Y HA 0.657 5.207 4.550 0.001 0.000 0.344 41 Y C -0.866 175.203 175.900 0.280 0.000 0.969 41 Y CA -1.201 57.032 58.100 0.222 0.000 1.052 41 Y CB 1.237 39.851 38.460 0.257 0.000 1.215 41 Y HN 0.713 nan 8.280 nan 0.000 0.451 42 A N 4.980 127.561 122.820 -0.399 0.000 2.488 42 A HA 0.662 4.983 4.320 0.001 0.000 0.298 42 A C -1.640 175.842 177.584 -0.171 0.000 1.044 42 A CA -0.849 51.112 52.037 -0.126 0.000 0.693 42 A CB 1.381 20.422 19.000 0.069 0.000 1.272 42 A HN 0.764 nan 8.150 nan 0.000 0.402 43 E N 1.857 122.072 120.200 0.024 0.000 2.185 43 E HA 0.464 4.815 4.350 0.001 0.000 0.261 43 E C -1.340 175.340 176.600 0.134 0.000 0.879 43 E CA -0.371 56.058 56.400 0.049 0.000 0.756 43 E CB 1.815 31.564 29.700 0.080 0.000 1.152 43 E HN 0.562 nan 8.360 nan 0.000 0.416 44 L N 3.869 125.230 121.223 0.229 0.000 2.276 44 L HA 0.426 4.766 4.340 0.001 0.000 0.286 44 L C -0.170 176.834 176.870 0.222 0.000 1.024 44 L CA -0.560 54.492 54.840 0.354 0.000 0.826 44 L CB 0.650 43.008 42.059 0.498 0.000 1.211 44 L HN 0.276 nan 8.230 nan 0.000 0.422 45 K N 5.084 125.564 120.400 0.134 0.000 2.206 45 K HA 0.692 5.013 4.320 0.001 0.000 0.264 45 K C -1.000 175.728 176.600 0.212 0.000 0.967 45 K CA -0.502 55.824 56.287 0.065 0.000 0.844 45 K CB 2.273 34.734 32.500 -0.064 0.000 1.099 45 K HN 0.459 nan 8.250 nan 0.000 0.441 46 L N 2.254 123.557 121.223 0.133 0.000 2.372 46 L HA 0.564 4.904 4.340 0.001 0.000 0.274 46 L C 0.040 176.903 176.870 -0.011 0.000 0.988 46 L CA -0.634 54.293 54.840 0.145 0.000 0.833 46 L CB 1.974 44.115 42.059 0.137 0.000 1.236 46 L HN 0.822 nan 8.230 nan 0.000 0.410 47 G N 2.086 110.902 108.800 0.028 0.000 2.798 47 G HA2 0.725 4.685 3.960 0.001 0.000 0.286 47 G HA3 0.725 4.685 3.960 0.001 0.000 0.286 47 G C -1.935 172.884 174.900 -0.135 0.000 1.389 47 G CA -0.314 44.696 45.100 -0.150 0.000 0.894 47 G HN 0.434 nan 8.290 nan 0.000 0.488 48 Q N -0.908 118.588 119.800 -0.507 0.000 2.503 48 Q HA 0.237 4.577 4.340 0.001 0.000 0.268 48 Q C -1.680 174.065 176.000 -0.425 0.000 0.982 48 Q CA -0.578 55.071 55.803 -0.257 0.000 0.907 48 Q CB 2.332 31.068 28.738 -0.003 0.000 1.467 48 Q HN 0.617 nan 8.270 nan 0.000 0.394 49 E N 2.629 122.834 120.200 0.009 0.000 1.932 49 E HA 0.158 4.509 4.350 0.001 0.000 0.275 49 E C 0.675 177.375 176.600 0.167 0.000 1.159 49 E CA -0.092 56.438 56.400 0.217 0.000 0.905 49 E CB 0.586 30.485 29.700 0.332 0.000 1.059 49 E HN 0.518 nan 8.360 nan 0.000 0.400 50 V N 2.582 122.604 119.914 0.180 0.000 3.380 50 V HA 0.167 4.287 4.120 0.001 0.000 0.268 50 V C 0.199 176.486 176.094 0.321 0.000 1.168 50 V CA 0.046 62.457 62.300 0.184 0.000 1.156 50 V CB -1.006 30.875 31.823 0.097 0.000 0.785 50 V HN 0.654 nan 8.190 nan 0.000 0.487 51 W N 0.076 121.472 121.300 0.160 0.000 3.645 51 W HA 0.623 5.283 4.660 0.000 0.000 0.285 51 W C -1.264 175.372 176.519 0.196 0.000 1.266 51 W CA -0.856 56.592 57.345 0.172 0.000 1.212 51 W CB 1.254 30.840 29.460 0.211 0.000 1.306 51 W HN -0.131 nan 8.180 nan 0.000 0.552 52 K N 4.183 124.317 120.400 -0.445 0.000 2.565 52 K HA 0.333 4.653 4.320 0.001 0.000 0.251 52 K C -1.759 174.307 176.600 -0.890 0.000 0.956 52 K CA -0.499 55.490 56.287 -0.497 0.000 0.809 52 K CB 2.068 34.458 32.500 -0.183 0.000 1.267 52 K HN 0.568 nan 8.250 nan 0.000 0.438 53 E N 3.344 123.012 120.200 -0.887 0.000 2.642 53 E HA 0.328 4.678 4.350 0.001 0.000 0.284 53 E C -0.016 176.411 176.600 -0.289 0.000 1.039 53 E CA 0.240 56.261 56.400 -0.632 0.000 0.777 53 E CB 0.804 30.029 29.700 -0.792 0.000 1.473 53 E HN 0.932 nan 8.360 nan 0.000 0.388 54 G N 4.057 112.746 108.800 -0.186 0.000 2.552 54 G HA2 -0.316 3.644 3.960 0.001 0.000 0.267 54 G HA3 -0.316 3.644 3.960 0.001 0.000 0.267 54 G C 0.468 175.319 174.900 -0.081 0.000 1.174 54 G CA 0.284 45.326 45.100 -0.096 0.000 0.955 54 G HN 0.586 nan 8.290 nan 0.000 0.546 55 D N 1.805 122.176 120.400 -0.048 0.000 2.350 55 D HA 0.119 4.759 4.640 0.001 0.000 0.213 55 D C 0.877 177.161 176.300 -0.027 0.000 1.031 55 D CA 0.569 54.548 54.000 -0.035 0.000 0.861 55 D CB 0.303 41.090 40.800 -0.022 0.000 0.926 55 D HN 0.409 nan 8.370 nan 0.000 0.520 56 K N 0.907 121.298 120.400 -0.015 0.000 2.143 56 K HA 0.406 4.726 4.320 0.001 0.000 0.272 56 K C 0.110 176.753 176.600 0.071 0.000 1.001 56 K CA -0.309 56.014 56.287 0.059 0.000 0.915 56 K CB 1.724 34.365 32.500 0.235 0.000 1.047 56 K HN -0.088 nan 8.250 nan 0.000 0.458 57 S N 1.177 116.938 115.700 0.103 0.000 2.587 57 S HA 0.600 5.071 4.470 0.001 0.000 0.269 57 S C -1.427 173.219 174.600 0.078 0.000 1.154 57 S CA -1.052 57.281 58.200 0.222 0.000 0.824 57 S CB 0.649 63.926 63.200 0.129 0.000 1.118 57 S HN 0.363 nan 8.310 nan 0.000 0.462 58 F N 1.291 121.469 119.950 0.381 0.000 2.518 58 F HA 0.599 5.126 4.527 0.001 0.000 0.323 58 F C -0.763 175.207 175.800 0.283 0.000 1.129 58 F CA -0.586 57.581 58.000 0.279 0.000 0.920 58 F CB 1.760 40.884 39.000 0.207 0.000 1.160 58 F HN 0.774 nan 8.300 nan 0.000 0.440 59 Y N 4.307 124.793 120.300 0.309 0.000 2.393 59 Y HA 0.564 5.114 4.550 0.001 0.000 0.341 59 Y C -1.493 174.586 175.900 0.299 0.000 0.988 59 Y CA -1.544 56.702 58.100 0.243 0.000 1.078 59 Y CB 1.248 39.782 38.460 0.124 0.000 1.203 59 Y HN 0.476 nan 8.280 nan 0.000 0.453 60 F N 5.766 125.464 119.950 -0.419 0.000 2.469 60 F HA 0.561 5.089 4.527 0.001 0.000 0.332 60 F C -1.303 174.309 175.800 -0.312 0.000 1.103 60 F CA -0.732 57.137 58.000 -0.217 0.000 0.979 60 F CB 1.152 40.056 39.000 -0.160 0.000 1.137 60 F HN 0.552 nan 8.300 nan 0.000 0.463 61 D N 2.557 122.556 120.400 -0.669 0.000 2.756 61 D HA 0.531 5.172 4.640 0.001 0.000 0.226 61 D C -1.118 174.746 176.300 -0.726 0.000 1.186 61 D CA -0.009 53.664 54.000 -0.545 0.000 0.845 61 D CB 2.394 43.145 40.800 -0.080 0.000 1.610 61 D HN 0.731 nan 8.370 nan 0.000 0.465 62 T N -0.131 114.094 114.554 -0.548 0.000 2.838 62 T HA 0.686 5.036 4.350 0.001 0.000 0.292 62 T C -0.985 173.510 174.700 -0.342 0.000 1.113 62 T CA -0.979 60.849 62.100 -0.453 0.000 1.008 62 T CB 1.477 70.176 68.868 -0.282 0.000 1.259 62 T HN 0.403 nan 8.240 nan 0.000 0.520 63 N N 0.026 118.500 118.700 -0.377 0.000 2.648 63 N HA 0.455 5.196 4.740 0.001 0.000 0.272 63 N C -2.129 173.249 175.510 -0.219 0.000 1.118 63 N CA -0.616 52.253 53.050 -0.302 0.000 0.973 63 N CB 1.781 39.961 38.487 -0.512 0.000 1.565 63 N HN 0.560 nan 8.380 nan 0.000 0.542 64 V N 2.195 122.089 119.914 -0.033 0.000 2.378 64 V HA 0.758 4.878 4.120 0.001 0.000 0.288 64 V C 0.015 176.033 176.094 -0.128 0.000 1.016 64 V CA -0.563 61.727 62.300 -0.017 0.000 0.840 64 V CB 1.026 32.905 31.823 0.094 0.000 0.994 64 V HN 0.752 nan 8.190 nan 0.000 0.431 65 A N 4.989 127.676 122.820 -0.222 0.000 2.312 65 A HA 0.886 5.206 4.320 0.001 0.000 0.326 65 A C -1.382 175.976 177.584 -0.376 0.000 1.172 65 A CA -0.373 51.548 52.037 -0.193 0.000 0.821 65 A CB 0.703 19.709 19.000 0.011 0.000 1.166 65 A HN 0.729 nan 8.150 nan 0.000 0.493 66 Y N 0.436 120.678 120.300 -0.097 0.000 2.391 66 Y HA 0.610 5.160 4.550 0.001 0.000 0.341 66 Y C 0.434 176.341 175.900 0.012 0.000 0.965 66 Y CA -0.423 57.660 58.100 -0.028 0.000 1.067 66 Y CB 2.589 41.026 38.460 -0.039 0.000 1.199 66 Y HN 0.563 nan 8.280 nan 0.000 0.450 67 S N 3.278 119.130 115.700 0.253 0.000 2.707 67 S HA 0.766 5.236 4.470 0.001 0.000 0.303 67 S C -1.275 173.427 174.600 0.170 0.000 1.132 67 S CA -0.566 57.806 58.200 0.287 0.000 1.046 67 S CB 0.126 63.521 63.200 0.324 0.000 1.004 67 S HN 0.614 nan 8.310 nan 0.000 0.483 68 V N 3.028 123.022 119.914 0.134 0.000 3.001 68 V HA 0.677 4.797 4.120 0.001 0.000 0.314 68 V C 0.248 176.375 176.094 0.055 0.000 1.099 68 V CA -0.971 61.372 62.300 0.072 0.000 0.989 68 V CB 1.972 33.815 31.823 0.034 0.000 1.040 68 V HN 0.712 nan 8.190 nan 0.000 0.434 69 N N 1.299 120.016 118.700 0.029 0.000 2.461 69 N HA -0.017 4.724 4.740 0.001 0.000 0.188 69 N C 0.874 176.379 175.510 -0.008 0.000 1.134 69 N CA 0.897 53.953 53.050 0.010 0.000 0.878 69 N CB -0.153 38.335 38.487 0.000 0.000 0.972 69 N HN 1.051 nan 8.380 nan 0.000 0.456 70 Q N 0.253 120.050 119.800 -0.005 0.000 2.423 70 Q HA -0.278 4.062 4.340 0.001 0.000 0.332 70 Q C -0.117 175.857 176.000 -0.042 0.000 1.355 70 Q CA 0.962 56.752 55.803 -0.023 0.000 0.947 70 Q CB -2.478 26.246 28.738 -0.023 0.000 1.189 70 Q HN 0.621 nan 8.270 nan 0.000 0.418 71 Q N -0.924 118.859 119.800 -0.028 0.000 2.164 71 Q HA 0.407 4.748 4.340 0.001 0.000 0.226 71 Q C -0.225 175.769 176.000 -0.010 0.000 0.813 71 Q CA -0.379 55.404 55.803 -0.033 0.000 0.978 71 Q CB 0.780 29.502 28.738 -0.028 0.000 1.149 71 Q HN 0.397 nan 8.270 nan 0.000 0.489 72 N N -0.020 118.682 118.700 0.005 0.000 3.227 72 N HA -0.003 4.738 4.740 0.001 0.000 0.241 72 N C -0.807 174.724 175.510 0.036 0.000 1.480 72 N CA -0.197 52.872 53.050 0.031 0.000 0.886 72 N CB 1.718 40.243 38.487 0.063 0.000 1.406 72 N HN 0.030 nan 8.380 nan 0.000 0.514 73 D N -0.167 120.272 120.400 0.065 0.000 2.092 73 D HA -0.093 4.547 4.640 0.001 0.000 0.203 73 D C 0.115 176.469 176.300 0.089 0.000 0.978 73 D CA 1.008 55.049 54.000 0.068 0.000 0.861 73 D CB -0.014 40.842 40.800 0.093 0.000 1.005 73 D HN 0.414 nan 8.370 nan 0.000 0.450 74 W N 2.560 123.855 121.300 -0.008 0.000 2.605 74 W HA 0.257 4.917 4.660 0.001 0.000 0.327 74 W C -0.983 175.537 176.519 0.002 0.000 1.332 74 W CA 0.019 57.361 57.345 -0.005 0.000 1.403 74 W CB -0.218 29.240 29.460 -0.003 0.000 1.452 74 W HN 0.126 nan 8.180 nan 0.000 0.503 75 E N 4.277 124.327 120.200 -0.250 0.000 2.235 75 E HA 0.154 4.504 4.350 0.001 0.000 0.252 75 E C -0.383 176.075 176.600 -0.237 0.000 0.886 75 E CA -0.415 55.915 56.400 -0.117 0.000 0.767 75 E CB 1.646 31.313 29.700 -0.054 0.000 1.205 75 E HN 0.071 nan 8.360 nan 0.000 0.421 76 S N 1.575 117.206 115.700 -0.115 0.000 2.585 76 S HA 0.371 4.842 4.470 0.001 0.000 0.273 76 S C 0.123 174.722 174.600 -0.001 0.000 1.339 76 S CA 0.012 58.173 58.200 -0.065 0.000 1.028 76 S CB 1.330 64.608 63.200 0.130 0.000 0.906 76 S HN 0.518 nan 8.310 nan 0.000 0.528 77 T N 0.778 115.343 114.554 0.019 0.000 2.769 77 T HA 0.279 4.630 4.350 0.001 0.000 0.306 77 T C -2.271 172.460 174.700 0.052 0.000 1.400 77 T CA -0.765 61.366 62.100 0.052 0.000 1.007 77 T CB 1.297 70.218 68.868 0.087 0.000 1.392 77 T HN 0.464 nan 8.240 nan 0.000 0.500 78 D N 3.669 124.090 120.400 0.035 0.000 2.460 78 D HA 0.347 4.987 4.640 0.001 0.000 0.232 78 D C -1.972 174.310 176.300 -0.030 0.000 1.079 78 D CA -0.940 53.065 54.000 0.009 0.000 0.864 78 D CB 1.562 42.367 40.800 0.009 0.000 1.048 78 D HN 0.393 nan 8.370 nan 0.000 0.523 79 P HA 0.173 nan 4.420 nan 0.000 0.269 79 P C -0.850 176.359 177.300 -0.152 0.000 1.215 79 P CA -0.461 62.468 63.100 -0.286 0.000 0.780 79 P CB 1.078 32.458 31.700 -0.534 0.000 0.898 80 A N 2.723 125.462 122.820 -0.136 0.000 2.276 80 A HA 0.383 4.704 4.320 0.001 0.000 0.316 80 A C -0.733 176.868 177.584 0.028 0.000 1.229 80 A CA -0.547 51.477 52.037 -0.022 0.000 0.851 80 A CB -0.131 18.875 19.000 0.011 0.000 1.165 80 A HN 0.474 nan 8.150 nan 0.000 0.513 81 F N 3.599 123.485 119.950 -0.107 0.000 2.462 81 F HA 0.312 4.839 4.527 0.001 0.000 0.354 81 F C 1.217 176.958 175.800 -0.098 0.000 1.192 81 F CA -0.737 57.199 58.000 -0.105 0.000 1.173 81 F CB 0.384 39.339 39.000 -0.076 0.000 1.402 81 F HN 0.749 nan 8.300 nan 0.000 0.595 82 R N 2.167 122.488 120.500 -0.298 0.000 2.140 82 R HA 0.131 4.472 4.340 0.001 0.000 0.213 82 R C -0.195 175.780 176.300 -0.542 0.000 1.059 82 R CA 0.637 56.541 56.100 -0.327 0.000 1.000 82 R CB 0.251 30.431 30.300 -0.201 0.000 0.910 82 R HN 0.497 nan 8.270 nan 0.000 0.455 83 E N -0.576 119.167 120.200 -0.761 0.000 2.340 83 E HA 0.607 4.957 4.350 0.001 0.000 0.273 83 E C -1.583 174.578 176.600 -0.732 0.000 0.891 83 E CA -0.745 55.249 56.400 -0.676 0.000 0.757 83 E CB 2.496 31.786 29.700 -0.684 0.000 1.231 83 E HN 0.126 nan 8.360 nan 0.000 0.439 84 A N 2.849 125.408 122.820 -0.436 0.000 2.480 84 A HA 0.373 4.694 4.320 0.001 0.000 0.302 84 A C -1.362 176.219 177.584 -0.004 0.000 1.151 84 A CA -0.839 51.064 52.037 -0.224 0.000 0.907 84 A CB -0.258 18.675 19.000 -0.113 0.000 1.487 84 A HN 0.722 nan 8.150 nan 0.000 0.396 85 N N -0.617 118.101 118.700 0.030 0.000 2.647 85 N HA 0.779 5.519 4.740 0.001 0.000 0.266 85 N C -1.340 174.335 175.510 0.275 0.000 1.373 85 N CA -0.906 52.247 53.050 0.172 0.000 0.807 85 N CB 2.110 40.697 38.487 0.167 0.000 1.513 85 N HN 0.197 nan 8.380 nan 0.000 0.505 86 V N 0.108 120.209 119.914 0.312 0.000 2.656 86 V HA 0.454 4.574 4.120 0.001 0.000 0.307 86 V C -0.957 175.346 176.094 0.348 0.000 1.051 86 V CA -0.550 61.959 62.300 0.347 0.000 0.893 86 V CB 1.500 33.502 31.823 0.299 0.000 0.999 86 V HN 0.681 nan 8.190 nan 0.000 0.426 87 Q N 2.194 122.198 119.800 0.340 0.000 2.330 87 Q HA 0.651 4.992 4.340 0.001 0.000 0.269 87 Q C -0.014 176.083 176.000 0.162 0.000 1.022 87 Q CA -0.484 55.479 55.803 0.266 0.000 0.796 87 Q CB 2.456 31.308 28.738 0.190 0.000 1.271 87 Q HN 0.932 nan 8.270 nan 0.000 0.450 88 G N 2.412 111.223 108.800 0.018 0.000 2.468 88 G HA2 0.465 4.425 3.960 0.001 0.000 0.315 88 G HA3 0.465 4.425 3.960 0.001 0.000 0.315 88 G C -0.729 174.040 174.900 -0.219 0.000 1.203 88 G CA -0.538 44.346 45.100 -0.359 0.000 0.962 88 G HN 0.286 nan 8.290 nan 0.000 0.476 89 K N 2.244 122.530 120.400 -0.190 0.000 2.172 89 K HA 0.314 4.634 4.320 0.001 0.000 0.276 89 K C 0.707 177.241 176.600 -0.111 0.000 1.013 89 K CA -0.675 55.547 56.287 -0.108 0.000 0.913 89 K CB 0.812 33.274 32.500 -0.064 0.000 1.055 89 K HN 0.450 nan 8.250 nan 0.000 0.461 90 N N 1.714 120.360 118.700 -0.090 0.000 2.725 90 N HA -0.207 4.533 4.740 0.001 0.000 0.249 90 N C 0.029 175.498 175.510 -0.067 0.000 1.103 90 N CA 0.562 53.568 53.050 -0.073 0.000 0.707 90 N CB -0.892 37.569 38.487 -0.042 0.000 1.043 90 N HN 0.540 nan 8.380 nan 0.000 0.553 91 L N -0.586 120.576 121.223 -0.102 0.000 2.270 91 L HA 0.089 4.429 4.340 0.001 0.000 0.210 91 L C 0.877 177.705 176.870 -0.069 0.000 1.104 91 L CA 0.691 55.487 54.840 -0.074 0.000 0.804 91 L CB -0.005 41.988 42.059 -0.111 0.000 0.937 91 L HN 0.107 nan 8.230 nan 0.000 0.450 92 I N 0.791 121.272 120.570 -0.147 0.000 2.281 92 I HA 0.071 4.241 4.170 0.001 0.000 0.293 92 I C 1.055 177.023 176.117 -0.249 0.000 1.085 92 I CA 0.024 61.166 61.300 -0.264 0.000 1.257 92 I CB 0.786 38.483 38.000 -0.504 0.000 1.430 92 I HN 0.063 nan 8.210 nan 0.000 0.489 93 E N 6.104 126.260 120.200 -0.073 0.000 2.086 93 E HA -0.215 4.135 4.350 0.001 0.000 0.200 93 E C 1.714 178.351 176.600 0.062 0.000 1.012 93 E CA 2.015 58.439 56.400 0.040 0.000 0.812 93 E CB -0.081 29.713 29.700 0.157 0.000 0.743 93 E HN 0.788 nan 8.360 nan 0.000 0.453 94 W N -0.216 121.090 121.300 0.010 0.000 3.077 94 W HA 0.173 4.834 4.660 0.001 0.000 0.245 94 W C -0.170 176.353 176.519 0.007 0.000 1.316 94 W CA 0.208 57.558 57.345 0.009 0.000 1.537 94 W CB -0.469 28.997 29.460 0.010 0.000 1.131 94 W HN -0.056 nan 8.180 nan 0.000 0.695 95 L N 3.625 124.637 121.223 -0.352 0.000 2.637 95 L HA 0.299 4.639 4.340 0.001 0.000 0.241 95 L C -2.110 174.645 176.870 -0.192 0.000 1.398 95 L CA -1.755 52.904 54.840 -0.301 0.000 0.895 95 L CB 0.666 42.411 42.059 -0.522 0.000 1.183 95 L HN -0.447 nan 8.230 nan 0.000 0.497 96 P HA 0.015 nan 4.420 nan 0.000 0.264 96 P C 0.968 178.225 177.300 -0.072 0.000 1.193 96 P CA 1.231 64.290 63.100 -0.068 0.000 0.763 96 P CB 1.353 33.036 31.700 -0.028 0.000 0.810 97 G N 2.258 111.016 108.800 -0.070 0.000 2.253 97 G HA2 -0.275 3.686 3.960 0.001 0.000 0.251 97 G HA3 -0.275 3.686 3.960 0.001 0.000 0.251 97 G C 0.384 175.240 174.900 -0.073 0.000 0.998 97 G CA 0.377 45.437 45.100 -0.066 0.000 0.621 97 G HN 0.901 nan 8.290 nan 0.000 0.524 98 S N 0.047 115.692 115.700 -0.091 0.000 2.579 98 S HA 0.586 5.057 4.470 0.001 0.000 0.275 98 S C 0.015 174.576 174.600 -0.065 0.000 1.345 98 S CA 0.886 59.036 58.200 -0.083 0.000 1.031 98 S CB 1.772 64.896 63.200 -0.128 0.000 0.892 98 S HN 0.691 nan 8.310 nan 0.000 0.529 99 T N 2.779 117.324 114.554 -0.014 0.000 2.812 99 T HA 0.537 4.887 4.350 0.001 0.000 0.282 99 T C 0.019 174.784 174.700 0.107 0.000 0.990 99 T CA -0.651 61.464 62.100 0.025 0.000 0.960 99 T CB 0.526 69.417 68.868 0.039 0.000 0.948 99 T HN 0.730 nan 8.240 nan 0.000 0.438 100 I N 1.145 121.759 120.570 0.074 0.000 2.437 100 I HA 0.888 5.059 4.170 0.001 0.000 0.298 100 I C -0.683 175.557 176.117 0.204 0.000 0.984 100 I CA -0.887 60.458 61.300 0.075 0.000 1.214 100 I CB 1.464 39.447 38.000 -0.028 0.000 1.365 100 I HN 0.699 nan 8.210 nan 0.000 0.469 101 W N 3.950 125.244 121.300 -0.011 0.000 3.075 101 W HA 0.878 5.538 4.660 0.001 0.000 0.334 101 W C -1.893 174.622 176.519 -0.007 0.000 1.243 101 W CA -1.490 55.862 57.345 0.012 0.000 1.170 101 W CB 1.165 30.636 29.460 0.018 0.000 1.452 101 W HN 0.871 nan 8.180 nan 0.000 0.572 102 A N 1.298 124.221 122.820 0.172 0.000 2.589 102 A HA 0.871 5.191 4.320 0.001 0.000 0.296 102 A C -0.246 177.450 177.584 0.188 0.000 1.062 102 A CA 0.076 52.089 52.037 -0.040 0.000 0.686 102 A CB 0.975 19.915 19.000 -0.101 0.000 1.282 102 A HN 2.416 nan 8.150 nan 0.000 0.404 103 G N 0.611 109.496 108.800 0.142 0.000 2.343 103 G HA2 0.224 4.184 3.960 0.001 0.000 0.465 103 G HA3 0.224 4.184 3.960 0.001 0.000 0.465 103 G C -1.103 173.895 174.900 0.164 0.000 1.282 103 G CA -0.805 44.380 45.100 0.142 0.000 0.996 103 G HN 0.811 nan 8.290 nan 0.000 0.521 104 K N 0.339 120.767 120.400 0.047 0.000 2.368 104 K HA 0.498 4.818 4.320 0.001 0.000 0.282 104 K C 0.418 176.984 176.600 -0.056 0.000 1.035 104 K CA 0.017 56.293 56.287 -0.018 0.000 0.973 104 K CB 1.258 33.676 32.500 -0.136 0.000 0.957 104 K HN 0.688 nan 8.250 nan 0.000 0.474 105 R N 2.773 123.260 120.500 -0.022 0.000 2.604 105 R HA 0.217 4.557 4.340 0.001 0.000 0.270 105 R C -1.376 174.917 176.300 -0.011 0.000 1.052 105 R CA -0.682 55.340 56.100 -0.129 0.000 0.902 105 R CB 0.846 30.992 30.300 -0.256 0.000 1.233 105 R HN 0.296 nan 8.270 nan 0.000 0.455 106 F N 4.203 124.018 119.950 -0.224 0.000 2.509 106 F HA 0.163 4.691 4.527 0.001 0.000 0.350 106 F C -0.232 175.418 175.800 -0.250 0.000 1.220 106 F CA -0.545 57.319 58.000 -0.228 0.000 1.151 106 F CB -0.217 38.635 39.000 -0.245 0.000 1.379 106 F HN 0.361 nan 8.300 nan 0.000 0.610 107 Y N 3.905 124.088 120.300 -0.195 0.000 2.452 107 Y HA 0.197 4.748 4.550 0.001 0.000 0.348 107 Y C 0.773 176.485 175.900 -0.313 0.000 0.985 107 Y CA -0.777 57.125 58.100 -0.330 0.000 1.214 107 Y CB 0.227 38.507 38.460 -0.300 0.000 1.136 107 Y HN 0.616 nan 8.280 nan 0.000 0.523 108 Q N 4.299 123.613 119.800 -0.810 0.000 2.413 108 Q HA -0.315 4.026 4.340 0.001 0.000 0.364 108 Q C -0.400 175.333 176.000 -0.444 0.000 1.359 108 Q CA 0.716 56.089 55.803 -0.717 0.000 1.097 108 Q CB -0.827 27.320 28.738 -0.985 0.000 1.286 108 Q HN 0.698 nan 8.270 nan 0.000 0.358 109 R N 1.029 121.338 120.500 -0.318 0.000 2.490 109 R HA 0.295 4.636 4.340 0.001 0.000 0.280 109 R C -0.065 176.158 176.300 -0.128 0.000 1.077 109 R CA -0.118 55.872 56.100 -0.182 0.000 1.065 109 R CB 0.685 30.883 30.300 -0.170 0.000 1.003 109 R HN 0.313 nan 8.270 nan 0.000 0.470 110 H N 1.820 120.686 119.070 -0.339 0.000 2.547 110 H HA 0.193 4.750 4.556 0.001 0.000 0.342 110 H C -0.671 174.178 175.328 -0.798 0.000 1.048 110 H CA -0.844 54.890 56.048 -0.523 0.000 1.204 110 H CB 1.835 31.233 29.762 -0.606 0.000 1.493 110 H HN 0.709 nan 8.280 nan 0.000 0.511 111 D N 1.510 121.607 120.400 -0.505 0.000 2.579 111 D HA 0.211 4.852 4.640 0.001 0.000 0.257 111 D C -0.971 175.237 176.300 -0.153 0.000 1.176 111 D CA -0.781 52.905 54.000 -0.523 0.000 0.914 111 D CB 1.799 41.939 40.800 -1.101 0.000 1.431 111 D HN 0.171 nan 8.370 nan 0.000 0.454 112 V N 1.753 121.593 119.914 -0.123 0.000 2.293 112 V HA 0.091 4.212 4.120 0.001 0.000 0.275 112 V C 1.227 177.306 176.094 -0.025 0.000 1.021 112 V CA -0.492 61.730 62.300 -0.129 0.000 0.815 112 V CB 0.427 32.145 31.823 -0.175 0.000 1.025 112 V HN 0.758 nan 8.190 nan 0.000 0.448 113 H N 5.726 124.826 119.070 0.051 0.000 2.292 113 H HA -0.285 4.272 4.556 0.001 0.000 0.292 113 H C 2.100 177.464 175.328 0.060 0.000 1.100 113 H CA 3.152 59.258 56.048 0.097 0.000 1.238 113 H CB 0.121 30.058 29.762 0.292 0.000 1.355 113 H HN 0.683 nan 8.280 nan 0.000 0.484 114 M N 0.000 119.559 119.600 -0.068 0.000 2.267 114 M HA -0.063 4.418 4.480 0.001 0.000 0.263 114 M C 1.646 177.844 176.300 -0.170 0.000 1.063 114 M CA 2.215 57.455 55.300 -0.100 0.000 1.090 114 M CB -0.355 32.303 32.600 0.097 0.000 1.392 114 M HN 0.496 nan 8.290 nan 0.000 0.422 115 I N -3.150 117.295 120.570 -0.208 0.000 4.025 115 I HA 0.322 4.492 4.170 0.001 0.000 0.336 115 I C -0.167 175.876 176.117 -0.124 0.000 1.390 115 I CA -0.291 60.844 61.300 -0.274 0.000 1.099 115 I CB -0.207 37.551 38.000 -0.402 0.000 1.049 115 I HN 0.084 nan 8.210 nan 0.000 0.394 116 D N 2.279 122.587 120.400 -0.152 0.000 2.686 116 D HA -0.293 4.348 4.640 0.001 0.000 0.235 116 D C -0.755 175.517 176.300 -0.047 0.000 1.160 116 D CA 0.783 54.697 54.000 -0.144 0.000 0.645 116 D CB -1.145 39.592 40.800 -0.105 0.000 1.039 116 D HN 0.540 nan 8.370 nan 0.000 0.423 117 F N 1.406 121.217 119.950 -0.231 0.000 2.426 117 F HA 0.475 5.003 4.527 0.001 0.000 0.348 117 F C -0.893 174.785 175.800 -0.205 0.000 1.124 117 F CA -0.883 57.050 58.000 -0.111 0.000 1.008 117 F CB 0.722 39.705 39.000 -0.028 0.000 1.139 117 F HN -0.131 nan 8.300 nan 0.000 0.452 118 Y N 6.327 126.274 120.300 -0.588 0.000 2.326 118 Y HA 0.192 4.742 4.550 0.001 0.000 0.337 118 Y C 0.197 175.658 175.900 -0.731 0.000 1.023 118 Y CA -0.284 57.493 58.100 -0.539 0.000 1.143 118 Y CB 0.645 38.841 38.460 -0.440 0.000 1.183 118 Y HN 0.650 nan 8.280 nan 0.000 0.485 119 Y N -0.612 119.529 120.300 -0.265 0.000 2.467 119 Y HA 0.341 4.891 4.550 0.001 0.000 0.250 119 Y C -0.558 175.371 175.900 0.047 0.000 1.155 119 Y CA -1.032 56.970 58.100 -0.163 0.000 1.249 119 Y CB 0.513 39.014 38.460 0.068 0.000 1.146 119 Y HN 0.490 nan 8.280 nan 0.000 0.524 120 W N 2.660 123.761 121.300 -0.332 0.000 2.725 120 W HA 0.417 5.078 4.660 0.001 0.000 0.305 120 W C -2.196 174.195 176.519 -0.214 0.000 1.045 120 W CA -1.637 55.555 57.345 -0.255 0.000 1.202 120 W CB 1.180 30.396 29.460 -0.406 0.000 1.083 120 W HN 0.127 nan 8.180 nan 0.000 0.343 121 D N 4.934 125.357 120.400 0.038 0.000 2.323 121 D HA 0.231 4.871 4.640 0.001 0.000 0.242 121 D C 0.262 176.504 176.300 -0.097 0.000 1.347 121 D CA -0.233 53.691 54.000 -0.127 0.000 0.988 121 D CB 0.337 40.993 40.800 -0.240 0.000 1.314 121 D HN 0.318 nan 8.370 nan 0.000 0.564 122 I N 0.040 120.567 120.570 -0.072 0.000 3.891 122 I HA 0.376 4.546 4.170 0.001 0.000 0.331 122 I C 0.017 176.109 176.117 -0.041 0.000 1.406 122 I CA -0.563 60.711 61.300 -0.044 0.000 1.139 122 I CB 0.228 38.223 38.000 -0.008 0.000 1.056 122 I HN -0.020 nan 8.210 nan 0.000 0.399 123 S N 1.978 117.641 115.700 -0.061 0.000 2.559 123 S HA 0.517 4.988 4.470 0.001 0.000 0.282 123 S C 0.623 175.221 174.600 -0.004 0.000 1.336 123 S CA 0.547 58.744 58.200 -0.005 0.000 1.037 123 S CB 0.721 63.907 63.200 -0.024 0.000 0.853 123 S HN 0.874 nan 8.310 nan 0.000 0.523 124 G N 1.839 110.661 108.800 0.037 0.000 2.339 124 G HA2 0.253 4.213 3.960 0.001 0.000 0.275 124 G HA3 0.253 4.213 3.960 0.001 0.000 0.275 124 G C -3.652 171.261 174.900 0.022 0.000 1.323 124 G CA -1.109 43.995 45.100 0.006 0.000 0.927 124 G HN 0.469 nan 8.290 nan 0.000 0.486 125 P HA 0.523 nan 4.420 nan 0.000 0.271 125 P C 0.436 177.727 177.300 -0.015 0.000 1.220 125 P CA 1.103 64.202 63.100 -0.002 0.000 0.768 125 P CB 1.322 33.002 31.700 -0.034 0.000 0.848 126 G N 0.902 109.703 108.800 0.002 0.000 2.490 126 G HA2 0.716 4.676 3.960 0.001 0.000 0.308 126 G HA3 0.716 4.676 3.960 0.001 0.000 0.308 126 G C -2.090 172.514 174.900 -0.492 0.000 1.286 126 G CA -0.116 44.891 45.100 -0.155 0.000 0.825 126 G HN 0.577 nan 8.290 nan 0.000 0.479 127 A N -2.100 120.157 122.820 -0.938 0.000 2.586 127 A HA 1.102 5.422 4.320 0.001 0.000 0.291 127 A C -0.134 176.639 177.584 -1.351 0.000 1.062 127 A CA 0.453 51.667 52.037 -1.371 0.000 0.666 127 A CB 1.356 19.964 19.000 -0.654 0.000 1.281 127 A HN 2.638 nan 8.150 nan 0.000 0.421 128 G N -0.968 106.980 108.800 -1.421 0.000 2.321 128 G HA2 0.584 4.544 3.960 0.001 0.000 0.296 128 G HA3 0.584 4.544 3.960 0.001 0.000 0.296 128 G C -1.912 172.759 174.900 -0.381 0.000 1.287 128 G CA 0.129 44.829 45.100 -0.665 0.000 0.846 128 G HN 1.804 nan 8.290 nan 0.000 0.508 129 I N 0.760 121.309 120.570 -0.034 0.000 2.512 129 I HA 0.604 4.775 4.170 0.001 0.000 0.287 129 I C -0.440 175.771 176.117 0.156 0.000 1.069 129 I CA -0.759 60.578 61.300 0.062 0.000 1.056 129 I CB 1.679 39.657 38.000 -0.038 0.000 1.229 129 I HN 0.813 nan 8.210 nan 0.000 0.429 130 E N 5.846 126.167 120.200 0.202 0.000 2.281 130 E HA 0.470 4.820 4.350 0.001 0.000 0.262 130 E C -0.652 175.975 176.600 0.045 0.000 0.933 130 E CA -0.873 55.619 56.400 0.153 0.000 0.809 130 E CB 1.036 30.853 29.700 0.194 0.000 1.242 130 E HN 0.602 nan 8.360 nan 0.000 0.418 131 N N 0.371 119.078 118.700 0.011 0.000 2.738 131 N HA -0.162 4.578 4.740 0.001 0.000 0.249 131 N C -0.878 174.603 175.510 -0.047 0.000 1.047 131 N CA 0.706 53.737 53.050 -0.032 0.000 0.707 131 N CB -1.470 36.987 38.487 -0.051 0.000 0.937 131 N HN 0.575 nan 8.380 nan 0.000 0.545 132 I N 0.459 121.004 120.570 -0.043 0.000 2.452 132 I HA 0.018 4.188 4.170 0.001 0.000 0.287 132 I C 0.873 176.943 176.117 -0.078 0.000 1.079 132 I CA -0.202 61.060 61.300 -0.063 0.000 1.387 132 I CB 0.513 38.484 38.000 -0.048 0.000 1.404 132 I HN -0.037 nan 8.210 nan 0.000 0.522 133 D N 7.196 127.547 120.400 -0.083 0.000 2.339 133 D HA 0.140 4.780 4.640 0.001 0.000 0.256 133 D C 0.529 176.749 176.300 -0.132 0.000 1.214 133 D CA 0.218 54.157 54.000 -0.102 0.000 0.877 133 D CB 1.068 41.824 40.800 -0.074 0.000 1.111 133 D HN 0.429 nan 8.370 nan 0.000 0.478 134 L N 2.857 123.931 121.223 -0.249 0.000 2.640 134 L HA 0.232 4.573 4.340 0.001 0.000 0.230 134 L C 1.827 178.449 176.870 -0.414 0.000 1.123 134 L CA 0.234 54.842 54.840 -0.387 0.000 0.900 134 L CB 0.002 41.630 42.059 -0.719 0.000 1.146 134 L HN 0.734 nan 8.230 nan 0.000 0.484 135 G N 1.866 110.525 108.800 -0.236 0.000 3.909 135 G HA2 -0.429 3.531 3.960 0.001 0.000 0.218 135 G HA3 -0.429 3.531 3.960 0.001 0.000 0.218 135 G C 0.660 175.533 174.900 -0.044 0.000 1.404 135 G CA 0.701 45.755 45.100 -0.076 0.000 0.905 135 G HN 0.376 nan 8.290 nan 0.000 0.589 136 F N 1.669 121.638 119.950 0.032 0.000 2.797 136 F HA 0.601 5.129 4.527 0.001 0.000 0.302 136 F C 1.028 176.850 175.800 0.037 0.000 1.130 136 F CA 0.285 58.305 58.000 0.034 0.000 1.387 136 F CB -0.007 39.015 39.000 0.038 0.000 1.107 136 F HN 0.912 nan 8.300 nan 0.000 0.577 137 G N 0.156 108.716 108.800 -0.400 0.000 2.441 137 G HA2 0.397 4.358 3.960 0.001 0.000 0.294 137 G HA3 0.397 4.358 3.960 0.001 0.000 0.294 137 G C -1.937 172.818 174.900 -0.243 0.000 1.393 137 G CA -1.269 43.704 45.100 -0.211 0.000 0.796 137 G HN -0.076 nan 8.290 nan 0.000 0.494 138 K N 0.144 120.474 120.400 -0.117 0.000 2.274 138 K HA 0.585 4.905 4.320 0.001 0.000 0.262 138 K C -1.201 175.371 176.600 -0.047 0.000 0.961 138 K CA -0.731 55.501 56.287 -0.092 0.000 0.833 138 K CB 2.423 34.886 32.500 -0.063 0.000 1.102 138 K HN 0.394 nan 8.250 nan 0.000 0.436 139 L N 1.309 122.507 121.223 -0.041 0.000 2.317 139 L HA 0.424 4.765 4.340 0.001 0.000 0.281 139 L C -0.780 176.116 176.870 0.043 0.000 1.024 139 L CA 0.167 55.017 54.840 0.016 0.000 0.810 139 L CB 1.694 43.761 42.059 0.013 0.000 1.240 139 L HN 0.491 nan 8.230 nan 0.000 0.427 140 S N 5.397 121.151 115.700 0.090 0.000 2.557 140 S HA 0.745 5.215 4.470 0.001 0.000 0.291 140 S C -1.015 173.683 174.600 0.163 0.000 1.116 140 S CA -0.566 57.715 58.200 0.136 0.000 0.992 140 S CB 1.417 64.720 63.200 0.172 0.000 1.028 140 S HN 0.523 nan 8.310 nan 0.000 0.484 141 L N 2.214 123.522 121.223 0.142 0.000 2.365 141 L HA 0.970 5.310 4.340 0.001 0.000 0.273 141 L C -0.201 176.699 176.870 0.051 0.000 1.000 141 L CA -0.675 54.229 54.840 0.107 0.000 0.819 141 L CB 1.808 43.911 42.059 0.073 0.000 1.284 141 L HN 0.780 nan 8.230 nan 0.000 0.418 142 A N 2.179 125.000 122.820 0.002 0.000 2.606 142 A HA 0.941 5.262 4.320 0.001 0.000 0.293 142 A C -1.565 175.942 177.584 -0.129 0.000 1.082 142 A CA -0.429 51.518 52.037 -0.151 0.000 0.685 142 A CB 1.980 20.754 19.000 -0.376 0.000 1.284 142 A HN 0.772 nan 8.150 nan 0.000 0.408 143 A N 0.881 123.571 122.820 -0.218 0.000 2.353 143 A HA 0.861 5.182 4.320 0.001 0.000 0.299 143 A C -0.103 177.314 177.584 -0.279 0.000 1.089 143 A CA 0.200 52.091 52.037 -0.243 0.000 0.736 143 A CB 0.864 19.783 19.000 -0.135 0.000 1.195 143 A HN 2.072 nan 8.150 nan 0.000 0.447 144 T N -0.369 114.012 114.554 -0.289 0.000 2.888 144 T HA 0.844 5.195 4.350 0.001 0.000 0.288 144 T C -0.290 174.268 174.700 -0.237 0.000 1.063 144 T CA -0.839 61.140 62.100 -0.202 0.000 1.010 144 T CB 1.714 70.512 68.868 -0.118 0.000 1.214 144 T HN 0.886 nan 8.240 nan 0.000 0.533 145 R N -0.123 120.276 120.500 -0.168 0.000 2.795 145 R HA 0.727 5.067 4.340 0.001 0.000 0.275 145 R C -1.207 175.014 176.300 -0.131 0.000 0.981 145 R CA -0.498 55.502 56.100 -0.167 0.000 0.917 145 R CB 1.943 32.158 30.300 -0.142 0.000 1.202 145 R HN 1.087 nan 8.270 nan 0.000 0.469 146 S N 0.347 115.964 115.700 -0.137 0.000 2.579 146 S HA 0.636 5.107 4.470 0.001 0.000 0.272 146 S C -1.067 173.462 174.600 -0.118 0.000 1.141 146 S CA -0.600 57.531 58.200 -0.116 0.000 0.843 146 S CB 1.960 65.088 63.200 -0.119 0.000 1.122 146 S HN 0.756 nan 8.310 nan 0.000 0.468 147 T N -1.044 113.447 114.554 -0.106 0.000 2.912 147 T HA 0.664 5.014 4.350 0.001 0.000 0.299 147 T C -1.095 173.542 174.700 -0.104 0.000 1.052 147 T CA -0.709 61.324 62.100 -0.111 0.000 0.996 147 T CB 1.584 70.386 68.868 -0.110 0.000 1.070 147 T HN 0.720 nan 8.240 nan 0.000 0.465 148 E N 1.093 121.225 120.200 -0.113 0.000 2.250 148 E HA 0.619 4.969 4.350 0.001 0.000 0.269 148 E C -0.169 176.363 176.600 -0.113 0.000 1.018 148 E CA -1.287 55.051 56.400 -0.105 0.000 0.873 148 E CB 1.576 31.214 29.700 -0.105 0.000 1.134 148 E HN 0.916 nan 8.360 nan 0.000 0.403 149 A N 1.794 124.556 122.820 -0.096 0.000 2.409 149 A HA 0.529 4.849 4.320 0.001 0.000 0.267 149 A C 0.774 178.285 177.584 -0.122 0.000 1.127 149 A CA 0.560 52.539 52.037 -0.097 0.000 0.795 149 A CB -0.455 18.505 19.000 -0.066 0.000 1.061 149 A HN 0.749 nan 8.150 nan 0.000 0.502 150 G N 1.920 110.619 108.800 -0.168 0.000 2.575 150 G HA2 0.236 4.196 3.960 0.001 0.000 0.267 150 G HA3 0.236 4.196 3.960 0.001 0.000 0.267 150 G C 1.399 176.099 174.900 -0.334 0.000 1.264 150 G CA 1.048 45.993 45.100 -0.259 0.000 0.935 150 G HN 2.750 nan 8.290 nan 0.000 0.568 151 G N -2.750 105.759 108.800 -0.485 0.000 2.268 151 G HA2 -0.007 3.954 3.960 0.001 0.000 0.240 151 G HA3 -0.007 3.954 3.960 0.001 0.000 0.240 151 G C 0.558 175.109 174.900 -0.582 0.000 1.010 151 G CA 1.176 46.041 45.100 -0.392 0.000 0.618 151 G HN 2.038 nan 8.290 nan 0.000 0.516 152 S N 0.503 115.765 115.700 -0.731 0.000 2.456 152 S HA 0.767 5.238 4.470 0.001 0.000 0.316 152 S C -0.918 173.306 174.600 -0.627 0.000 1.089 152 S CA -0.471 57.435 58.200 -0.490 0.000 1.101 152 S CB 0.989 63.983 63.200 -0.342 0.000 0.995 152 S HN 0.394 nan 8.310 nan 0.000 0.468 153 Y N 0.302 120.463 120.300 -0.233 0.000 2.536 153 Y HA 0.455 5.005 4.550 0.001 0.000 0.347 153 Y C 0.611 176.110 175.900 -0.667 0.000 1.000 153 Y CA -1.259 56.480 58.100 -0.603 0.000 1.051 153 Y CB 1.375 39.009 38.460 -1.377 0.000 1.259 153 Y HN 0.498 nan 8.280 nan 0.000 0.468 154 T N 0.037 114.303 114.554 -0.480 0.000 3.016 154 T HA 0.444 4.795 4.350 0.001 0.000 0.335 154 T C -0.792 173.781 174.700 -0.212 0.000 1.176 154 T CA -0.608 61.204 62.100 -0.480 0.000 0.987 154 T CB -0.895 67.636 68.868 -0.563 0.000 1.073 154 T HN 0.194 nan 8.240 nan 0.000 0.547 155 F N 2.722 122.693 119.950 0.035 0.000 2.504 155 F HA 0.286 4.813 4.527 0.001 0.000 0.369 155 F C 1.838 177.638 175.800 0.000 0.000 1.082 155 F CA -0.695 57.336 58.000 0.052 0.000 1.216 155 F CB 0.894 39.922 39.000 0.046 0.000 1.108 155 F HN 0.681 nan 8.300 nan 0.000 0.554 156 S N 0.563 116.377 115.700 0.189 0.000 2.370 156 S HA 0.060 4.530 4.470 0.001 0.000 0.214 156 S C 0.723 175.361 174.600 0.062 0.000 1.033 156 S CA 0.366 58.609 58.200 0.072 0.000 0.941 156 S CB -0.076 63.131 63.200 0.011 0.000 0.886 156 S HN 0.452 nan 8.310 nan 0.000 0.521 157 S N 1.526 117.257 115.700 0.053 0.000 2.745 157 S HA 0.333 4.803 4.470 0.001 0.000 0.283 157 S C -1.276 173.327 174.600 0.005 0.000 1.170 157 S CA -0.551 57.661 58.200 0.020 0.000 1.119 157 S CB -0.126 63.075 63.200 0.002 0.000 1.035 157 S HN 0.446 nan 8.310 nan 0.000 0.483 158 Q N 4.147 123.924 119.800 -0.038 0.000 2.972 158 Q HA -0.261 4.079 4.340 0.001 0.000 0.070 158 Q C 0.939 176.819 176.000 -0.200 0.000 1.567 158 Q CA 1.121 56.833 55.803 -0.152 0.000 0.386 158 Q CB -0.818 27.861 28.738 -0.098 0.000 0.612 158 Q HN 1.107 nan 8.270 nan 0.000 0.322 159 N N -0.164 118.199 118.700 -0.562 0.000 2.809 159 N HA -0.278 4.462 4.740 0.001 0.000 0.244 159 N C -0.572 175.028 175.510 0.150 0.000 1.018 159 N CA 1.789 54.589 53.050 -0.417 0.000 0.917 159 N CB -1.314 37.036 38.487 -0.227 0.000 1.130 159 N HN 0.588 nan 8.380 nan 0.000 0.591 160 I N 1.654 122.305 120.570 0.134 0.000 2.331 160 I HA 0.373 4.544 4.170 0.001 0.000 0.292 160 I C 0.067 176.283 176.117 0.165 0.000 0.998 160 I CA -1.105 60.165 61.300 -0.050 0.000 1.267 160 I CB 0.765 38.652 38.000 -0.189 0.000 1.386 160 I HN 0.162 nan 8.210 nan 0.000 0.476 161 Y N 3.179 123.479 120.300 0.001 0.000 2.570 161 Y HA 0.537 5.088 4.550 0.001 0.000 0.345 161 Y C -0.093 175.752 175.900 -0.093 0.000 1.014 161 Y CA -1.149 56.933 58.100 -0.030 0.000 1.063 161 Y CB 0.810 39.163 38.460 -0.179 0.000 1.272 161 Y HN 0.403 nan 8.280 nan 0.000 0.477 162 D N 0.760 121.188 120.400 0.047 0.000 2.290 162 D HA 0.067 4.707 4.640 0.001 0.000 0.224 162 D C -0.460 175.907 176.300 0.111 0.000 0.967 162 D CA 1.071 55.061 54.000 -0.018 0.000 0.893 162 D CB 0.416 41.191 40.800 -0.042 0.000 1.037 162 D HN 0.758 nan 8.370 nan 0.000 0.477 163 E N -0.069 120.248 120.200 0.195 0.000 2.369 163 E HA 0.502 4.852 4.350 0.001 0.000 0.270 163 E C -0.880 175.860 176.600 0.233 0.000 0.909 163 E CA -0.756 55.777 56.400 0.221 0.000 0.775 163 E CB 3.214 32.989 29.700 0.125 0.000 1.270 163 E HN -0.228 nan 8.360 nan 0.000 0.445 164 V N 0.461 120.474 119.914 0.165 0.000 3.096 164 V HA 0.676 4.796 4.120 0.001 0.000 0.319 164 V C -0.276 175.779 176.094 -0.065 0.000 1.103 164 V CA -0.844 61.394 62.300 -0.103 0.000 1.016 164 V CB 1.780 33.513 31.823 -0.150 0.000 1.090 164 V HN 0.594 nan 8.190 nan 0.000 0.449 165 K N -0.167 120.059 120.400 -0.290 0.000 2.597 165 K HA 0.315 4.635 4.320 0.001 0.000 0.282 165 K C -1.913 174.475 176.600 -0.353 0.000 0.975 165 K CA -0.750 55.325 56.287 -0.354 0.000 0.867 165 K CB 2.272 34.337 32.500 -0.726 0.000 1.465 165 K HN 0.823 nan 8.250 nan 0.000 0.417 166 D N 1.592 121.826 120.400 -0.277 0.000 2.345 166 D HA 0.128 4.768 4.640 0.001 0.000 0.247 166 D C -0.616 175.537 176.300 -0.245 0.000 1.108 166 D CA 0.396 54.259 54.000 -0.228 0.000 0.894 166 D CB 1.395 42.095 40.800 -0.168 0.000 1.203 166 D HN 0.324 nan 8.370 nan 0.000 0.430 167 T N 1.198 115.625 114.554 -0.212 0.000 2.744 167 T HA 0.500 4.851 4.350 0.001 0.000 0.291 167 T C 0.191 174.798 174.700 -0.154 0.000 0.957 167 T CA -0.682 61.304 62.100 -0.189 0.000 1.002 167 T CB 1.177 69.942 68.868 -0.171 0.000 0.919 167 T HN 0.354 nan 8.240 nan 0.000 0.468 168 A N 4.514 127.246 122.820 -0.147 0.000 2.363 168 A HA 0.477 4.797 4.320 0.001 0.000 0.270 168 A C 0.287 177.793 177.584 -0.131 0.000 1.121 168 A CA -0.684 51.274 52.037 -0.132 0.000 0.800 168 A CB 0.217 19.144 19.000 -0.122 0.000 1.052 168 A HN 0.839 nan 8.150 nan 0.000 0.493 169 N N 2.328 120.941 118.700 -0.146 0.000 2.407 169 N HA 0.259 4.999 4.740 0.001 0.000 0.277 169 N C -1.595 173.782 175.510 -0.222 0.000 0.995 169 N CA -0.544 52.403 53.050 -0.171 0.000 0.903 169 N CB 1.742 40.127 38.487 -0.171 0.000 1.218 169 N HN 0.598 nan 8.380 nan 0.000 0.487 170 D N 1.246 121.485 120.400 -0.267 0.000 2.193 170 D HA 0.404 5.045 4.640 0.001 0.000 0.249 170 D C -0.266 175.635 176.300 -0.666 0.000 1.034 170 D CA -0.203 53.525 54.000 -0.453 0.000 0.902 170 D CB 2.431 42.978 40.800 -0.423 0.000 1.182 170 D HN 0.041 nan 8.370 nan 0.000 0.436 171 V N 2.010 121.437 119.914 -0.811 0.000 2.588 171 V HA 0.442 4.562 4.120 0.001 0.000 0.304 171 V C -0.833 174.738 176.094 -0.872 0.000 1.042 171 V CA -0.847 61.045 62.300 -0.680 0.000 0.877 171 V CB 1.350 32.965 31.823 -0.348 0.000 0.996 171 V HN 0.317 nan 8.190 nan 0.000 0.425 172 F N 2.158 122.062 119.950 -0.076 0.000 2.427 172 F HA 0.556 5.084 4.527 0.001 0.000 0.348 172 F C -0.011 175.801 175.800 0.020 0.000 1.125 172 F CA -0.674 57.313 58.000 -0.020 0.000 0.989 172 F CB 1.516 40.528 39.000 0.020 0.000 1.165 172 F HN 0.510 nan 8.300 nan 0.000 0.442 173 D N 2.521 123.005 120.400 0.140 0.000 2.278 173 D HA 0.704 5.345 4.640 0.001 0.000 0.245 173 D C -1.513 174.908 176.300 0.200 0.000 1.052 173 D CA -0.362 53.740 54.000 0.170 0.000 0.834 173 D CB 1.706 42.579 40.800 0.122 0.000 1.194 173 D HN 0.262 nan 8.370 nan 0.000 0.481 174 V N 4.211 124.273 119.914 0.248 0.000 2.577 174 V HA 0.596 4.717 4.120 0.001 0.000 0.303 174 V C -0.316 175.944 176.094 0.277 0.000 1.042 174 V CA -0.722 61.719 62.300 0.235 0.000 0.872 174 V CB 1.742 33.701 31.823 0.226 0.000 0.998 174 V HN 0.552 nan 8.190 nan 0.000 0.423 175 R N 3.400 124.042 120.500 0.237 0.000 2.686 175 R HA 0.768 5.108 4.340 0.001 0.000 0.283 175 R C -1.681 174.731 176.300 0.187 0.000 0.978 175 R CA -0.736 55.515 56.100 0.253 0.000 0.897 175 R CB 2.397 32.807 30.300 0.184 0.000 1.192 175 R HN 0.533 nan 8.270 nan 0.000 0.457 176 L N 2.043 123.386 121.223 0.200 0.000 2.372 176 L HA 0.825 5.165 4.340 0.001 0.000 0.274 176 L C -1.293 175.669 176.870 0.154 0.000 0.988 176 L CA -0.172 54.760 54.840 0.154 0.000 0.833 176 L CB 1.628 43.798 42.059 0.184 0.000 1.236 176 L HN 0.825 nan 8.230 nan 0.000 0.410 177 A N 2.936 125.814 122.820 0.097 0.000 2.435 177 A HA 0.805 5.125 4.320 0.001 0.000 0.296 177 A C 0.700 178.317 177.584 0.055 0.000 1.147 177 A CA -0.135 51.956 52.037 0.090 0.000 0.775 177 A CB 1.273 20.310 19.000 0.062 0.000 1.340 177 A HN 1.840 nan 8.150 nan 0.000 0.427 178 G N -0.855 107.976 108.800 0.051 0.000 2.137 178 G HA2 -0.144 3.817 3.960 0.001 0.000 0.237 178 G HA3 -0.144 3.817 3.960 0.001 0.000 0.237 178 G C -0.077 174.868 174.900 0.075 0.000 1.002 178 G CA 0.263 45.383 45.100 0.034 0.000 0.702 178 G HN 0.860 nan 8.290 nan 0.000 0.515 179 L N 0.489 121.781 121.223 0.115 0.000 2.385 179 L HA 0.311 4.651 4.340 0.001 0.000 0.281 179 L C 0.968 177.913 176.870 0.125 0.000 1.106 179 L CA -0.433 54.500 54.840 0.156 0.000 0.856 179 L CB 1.046 43.215 42.059 0.183 0.000 1.186 179 L HN 0.179 nan 8.230 nan 0.000 0.453 180 Q N 1.895 121.764 119.800 0.114 0.000 2.381 180 Q HA 0.026 4.366 4.340 0.001 0.000 0.243 180 Q C 1.103 177.167 176.000 0.107 0.000 1.154 180 Q CA 0.073 55.932 55.803 0.094 0.000 0.899 180 Q CB 0.684 29.469 28.738 0.078 0.000 1.396 180 Q HN 0.703 nan 8.270 nan 0.000 0.485 181 T N -0.062 114.573 114.554 0.136 0.000 3.035 181 T HA 0.110 4.461 4.350 0.001 0.000 0.259 181 T C 0.487 175.257 174.700 0.115 0.000 1.078 181 T CA 0.399 62.582 62.100 0.138 0.000 1.132 181 T CB 0.012 68.997 68.868 0.194 0.000 0.900 181 T HN 0.618 nan 8.240 nan 0.000 0.480 182 N N 0.169 118.948 118.700 0.132 0.000 3.046 182 N HA 0.261 5.001 4.740 0.001 0.000 0.243 182 N C -3.665 171.899 175.510 0.091 0.000 1.452 182 N CA -1.684 51.426 53.050 0.100 0.000 0.882 182 N CB 0.807 39.356 38.487 0.105 0.000 1.425 182 N HN -0.098 nan 8.380 nan 0.000 0.517 183 P HA 0.124 nan 4.420 nan 0.000 0.262 183 P C -0.543 176.795 177.300 0.064 0.000 1.199 183 P CA 0.740 63.874 63.100 0.056 0.000 0.763 183 P CB 0.039 31.765 31.700 0.044 0.000 0.790 184 D N 0.484 120.915 120.400 0.052 0.000 3.079 184 D HA -0.134 4.507 4.640 0.001 0.000 0.214 184 D C 0.651 176.977 176.300 0.043 0.000 1.145 184 D CA 1.809 55.836 54.000 0.045 0.000 0.958 184 D CB -1.546 39.285 40.800 0.053 0.000 1.117 184 D HN 0.644 nan 8.370 nan 0.000 0.416 185 G N -0.651 108.184 108.800 0.059 0.000 2.495 185 G HA2 0.636 4.596 3.960 0.001 0.000 0.318 185 G HA3 0.636 4.596 3.960 0.001 0.000 0.318 185 G C -0.692 174.190 174.900 -0.029 0.000 1.257 185 G CA -0.382 44.733 45.100 0.026 0.000 0.962 185 G HN 0.119 nan 8.290 nan 0.000 0.483 186 V N 1.500 121.266 119.914 -0.248 0.000 3.049 186 V HA 0.657 4.777 4.120 0.001 0.000 0.309 186 V C -1.124 174.921 176.094 -0.083 0.000 1.148 186 V CA -0.777 61.469 62.300 -0.090 0.000 0.990 186 V CB 2.206 33.989 31.823 -0.067 0.000 1.039 186 V HN 0.787 nan 8.190 nan 0.000 0.430 187 L N 2.969 124.250 121.223 0.096 0.000 2.386 187 L HA 0.726 5.066 4.340 0.001 0.000 0.271 187 L C -0.629 176.341 176.870 0.167 0.000 0.993 187 L CA 0.096 55.044 54.840 0.180 0.000 0.819 187 L CB 1.940 44.150 42.059 0.253 0.000 1.294 187 L HN 0.830 nan 8.230 nan 0.000 0.414 188 E N 3.951 124.269 120.200 0.196 0.000 2.234 188 E HA 0.553 4.903 4.350 0.001 0.000 0.266 188 E C -1.882 174.865 176.600 0.244 0.000 0.877 188 E CA -0.740 55.796 56.400 0.226 0.000 0.758 188 E CB 1.474 31.340 29.700 0.276 0.000 1.170 188 E HN 0.512 nan 8.360 nan 0.000 0.415 189 L N 2.755 124.125 121.223 0.245 0.000 2.334 189 L HA 0.783 5.124 4.340 0.001 0.000 0.276 189 L C 0.173 177.227 176.870 0.306 0.000 1.014 189 L CA -0.447 54.529 54.840 0.227 0.000 0.815 189 L CB 1.791 43.971 42.059 0.203 0.000 1.268 189 L HN 0.690 nan 8.230 nan 0.000 0.428 190 G N 1.464 110.422 108.800 0.263 0.000 2.706 190 G HA2 0.657 4.617 3.960 0.001 0.000 0.297 190 G HA3 0.657 4.617 3.960 0.001 0.000 0.297 190 G C -2.013 173.053 174.900 0.277 0.000 1.403 190 G CA -0.380 44.956 45.100 0.394 0.000 0.954 190 G HN 0.316 nan 8.290 nan 0.000 0.500 191 V N 1.337 121.447 119.914 0.326 0.000 2.735 191 V HA 0.610 4.730 4.120 0.001 0.000 0.310 191 V C -1.222 175.010 176.094 0.230 0.000 1.061 191 V CA -0.873 61.587 62.300 0.266 0.000 0.913 191 V CB 2.274 34.326 31.823 0.382 0.000 1.005 191 V HN 0.733 nan 8.190 nan 0.000 0.428 192 D N 2.268 122.726 120.400 0.096 0.000 2.863 192 D HA 0.344 4.984 4.640 0.001 0.000 0.245 192 D C -1.806 174.440 176.300 -0.090 0.000 1.211 192 D CA -0.227 53.806 54.000 0.056 0.000 0.888 192 D CB 2.882 43.707 40.800 0.042 0.000 1.483 192 D HN 0.552 nan 8.370 nan 0.000 0.533 193 Y N 1.233 121.365 120.300 -0.280 0.000 2.326 193 Y HA 0.538 5.088 4.550 0.001 0.000 0.331 193 Y C -0.475 175.251 175.900 -0.291 0.000 0.962 193 Y CA -0.594 57.131 58.100 -0.625 0.000 1.167 193 Y CB 1.587 39.485 38.460 -0.937 0.000 1.148 193 Y HN 0.390 nan 8.280 nan 0.000 0.463 194 G N 5.952 114.157 108.800 -0.991 0.000 2.481 194 G HA2 0.772 4.733 3.960 0.001 0.000 0.315 194 G HA3 0.772 4.733 3.960 0.001 0.000 0.315 194 G C -1.698 172.721 174.900 -0.801 0.000 1.231 194 G CA -1.285 43.376 45.100 -0.732 0.000 0.968 194 G HN 0.845 nan 8.290 nan 0.000 0.482 195 R N -0.488 119.729 120.500 -0.472 0.000 2.663 195 R HA 0.696 5.036 4.340 0.001 0.000 0.267 195 R C -0.809 175.393 176.300 -0.165 0.000 1.038 195 R CA -0.953 54.969 56.100 -0.296 0.000 0.886 195 R CB 1.205 31.382 30.300 -0.204 0.000 1.249 195 R HN 0.837 nan 8.270 nan 0.000 0.463 196 A N 1.685 124.438 122.820 -0.112 0.000 2.401 196 A HA 0.288 4.608 4.320 0.001 0.000 0.259 196 A C -0.492 177.061 177.584 -0.052 0.000 1.103 196 A CA -0.400 51.585 52.037 -0.086 0.000 0.789 196 A CB 0.260 19.220 19.000 -0.067 0.000 1.035 196 A HN 0.664 nan 8.150 nan 0.000 0.491 197 N N 1.952 120.616 118.700 -0.059 0.000 2.623 197 N HA 0.279 5.020 4.740 0.001 0.000 0.256 197 N C -0.395 175.084 175.510 -0.052 0.000 1.045 197 N CA -0.145 52.886 53.050 -0.032 0.000 0.863 197 N CB 0.970 39.444 38.487 -0.022 0.000 1.182 197 N HN 0.692 nan 8.380 nan 0.000 0.523 198 T N 0.105 114.639 114.554 -0.033 0.000 2.910 198 T HA 0.342 4.693 4.350 0.001 0.000 0.293 198 T C 0.564 175.248 174.700 -0.025 0.000 1.015 198 T CA -0.393 61.681 62.100 -0.043 0.000 1.094 198 T CB 0.622 69.495 68.868 0.009 0.000 0.968 198 T HN 0.293 nan 8.240 nan 0.000 0.521 199 T N 2.401 116.915 114.554 -0.066 0.000 2.898 199 T HA 0.161 4.512 4.350 0.001 0.000 0.301 199 T C 0.313 175.080 174.700 0.111 0.000 1.049 199 T CA -0.389 61.698 62.100 -0.023 0.000 1.095 199 T CB 0.441 69.224 68.868 -0.142 0.000 0.976 199 T HN 0.782 nan 8.240 nan 0.000 0.539 200 D N -0.053 120.406 120.400 0.098 0.000 2.455 200 D HA 0.346 4.986 4.640 0.001 0.000 0.241 200 D C 1.357 177.745 176.300 0.148 0.000 1.138 200 D CA 1.691 55.751 54.000 0.101 0.000 0.877 200 D CB 0.015 40.851 40.800 0.061 0.000 1.187 200 D HN 0.740 nan 8.370 nan 0.000 0.451 201 G N 2.092 110.944 108.800 0.086 0.000 2.317 201 G HA2 -0.278 3.682 3.960 0.001 0.000 0.227 201 G HA3 -0.278 3.682 3.960 0.001 0.000 0.227 201 G C 0.069 174.916 174.900 -0.089 0.000 1.042 201 G CA 0.211 45.304 45.100 -0.012 0.000 0.623 201 G HN 0.500 nan 8.290 nan 0.000 0.509 202 Y N 1.258 121.536 120.300 -0.037 0.000 2.354 202 Y HA 0.715 5.266 4.550 0.001 0.000 0.322 202 Y C 0.919 176.802 175.900 -0.028 0.000 1.253 202 Y CA -0.110 57.944 58.100 -0.077 0.000 1.272 202 Y CB 1.208 39.593 38.460 -0.126 0.000 1.255 202 Y HN 0.152 nan 8.280 nan 0.000 0.500 203 K N 1.426 121.908 120.400 0.136 0.000 2.536 203 K HA 0.536 4.856 4.320 0.001 0.000 0.269 203 K C -1.612 175.127 176.600 0.233 0.000 0.965 203 K CA -0.920 55.482 56.287 0.191 0.000 0.860 203 K CB 2.268 34.951 32.500 0.305 0.000 1.423 203 K HN 0.428 nan 8.250 nan 0.000 0.438 204 L N 1.795 123.159 121.223 0.236 0.000 2.395 204 L HA 0.413 4.754 4.340 0.001 0.000 0.269 204 L C 0.573 177.695 176.870 0.420 0.000 1.133 204 L CA -0.626 54.366 54.840 0.254 0.000 0.812 204 L CB 1.032 43.172 42.059 0.136 0.000 1.125 204 L HN 0.745 nan 8.230 nan 0.000 0.452 205 A N 1.380 124.493 122.820 0.488 0.000 2.492 205 A HA 0.128 4.449 4.320 0.001 0.000 0.236 205 A C -0.386 177.303 177.584 0.175 0.000 1.078 205 A CA -0.478 51.783 52.037 0.373 0.000 0.773 205 A CB -0.231 18.927 19.000 0.262 0.000 1.023 205 A HN 0.830 nan 8.150 nan 0.000 0.504 206 D N -0.012 120.421 120.400 0.054 0.000 2.425 206 D HA 0.423 5.064 4.640 0.001 0.000 0.247 206 D C 0.922 177.241 176.300 0.032 0.000 1.147 206 D CA 0.552 54.565 54.000 0.023 0.000 0.879 206 D CB 0.602 41.381 40.800 -0.035 0.000 1.179 206 D HN 1.084 nan 8.370 nan 0.000 0.456 207 G N 1.083 109.903 108.800 0.033 0.000 2.316 207 G HA2 -0.101 3.859 3.960 0.001 0.000 0.203 207 G HA3 -0.101 3.859 3.960 0.001 0.000 0.203 207 G C 0.528 175.439 174.900 0.017 0.000 0.999 207 G CA -0.241 44.872 45.100 0.021 0.000 0.649 207 G HN 1.015 nan 8.290 nan 0.000 0.489 208 A N 1.008 123.848 122.820 0.034 0.000 2.561 208 A HA 0.531 4.852 4.320 0.001 0.000 0.234 208 A C 1.832 179.423 177.584 0.010 0.000 1.055 208 A CA 1.546 53.595 52.037 0.020 0.000 0.756 208 A CB 0.244 19.272 19.000 0.046 0.000 0.986 208 A HN 1.717 nan 8.150 nan 0.000 0.505 209 S N 1.623 117.315 115.700 -0.013 0.000 2.428 209 S HA -0.097 4.373 4.470 0.001 0.000 0.230 209 S C 1.484 176.087 174.600 0.006 0.000 1.014 209 S CA 1.139 59.337 58.200 -0.003 0.000 0.957 209 S CB -0.354 62.834 63.200 -0.020 0.000 0.784 209 S HN 1.135 nan 8.310 nan 0.000 0.499 210 K N 0.873 121.266 120.400 -0.011 0.000 7.382 210 K HA -0.316 4.004 4.320 0.001 0.000 0.476 210 K C -0.534 176.031 176.600 -0.058 0.000 0.371 210 K CA 2.243 58.519 56.287 -0.018 0.000 1.942 210 K CB -1.964 30.548 32.500 0.019 0.000 0.717 210 K HN 0.718 nan 8.250 nan 0.000 0.835 211 D N -1.187 119.186 120.400 -0.045 0.000 2.732 211 D HA 0.699 5.339 4.640 0.001 0.000 0.292 211 D C 0.083 176.320 176.300 -0.105 0.000 1.135 211 D CA 0.132 54.048 54.000 -0.139 0.000 1.071 211 D CB 1.531 42.272 40.800 -0.098 0.000 1.457 211 D HN 0.467 nan 8.370 nan 0.000 0.547 212 G N -2.223 106.437 108.800 -0.233 0.000 2.356 212 G HA2 0.460 4.420 3.960 0.001 0.000 0.294 212 G HA3 0.460 4.420 3.960 0.001 0.000 0.294 212 G C -2.324 172.434 174.900 -0.235 0.000 1.423 212 G CA -1.111 43.941 45.100 -0.080 0.000 0.806 212 G HN 0.318 nan 8.290 nan 0.000 0.527 213 W N -0.490 120.764 121.300 -0.077 0.000 2.882 213 W HA 0.833 5.494 4.660 0.001 0.000 0.345 213 W C 0.077 176.349 176.519 -0.413 0.000 1.125 213 W CA -0.807 56.409 57.345 -0.215 0.000 1.167 213 W CB 2.514 31.845 29.460 -0.216 0.000 1.431 213 W HN 0.524 nan 8.180 nan 0.000 0.543 214 M N 2.430 121.817 119.600 -0.354 0.000 2.322 214 M HA 0.504 4.984 4.480 0.001 0.000 0.286 214 M C -2.252 173.728 176.300 -0.533 0.000 1.111 214 M CA -0.390 54.686 55.300 -0.374 0.000 0.941 214 M CB 1.404 33.871 32.600 -0.221 0.000 1.671 214 M HN 0.367 nan 8.290 nan 0.000 0.470 215 F N 1.758 121.713 119.950 0.008 0.000 2.507 215 F HA 0.653 5.181 4.527 0.001 0.000 0.325 215 F C -0.105 175.599 175.800 -0.159 0.000 1.116 215 F CA -0.573 57.420 58.000 -0.011 0.000 0.930 215 F CB 2.445 41.475 39.000 0.050 0.000 1.146 215 F HN 0.357 nan 8.300 nan 0.000 0.447 216 T N 2.271 116.749 114.554 -0.127 0.000 2.861 216 T HA 0.810 5.160 4.350 0.001 0.000 0.287 216 T C -1.042 173.563 174.700 -0.160 0.000 1.003 216 T CA -0.774 61.111 62.100 -0.359 0.000 0.977 216 T CB 1.746 69.924 68.868 -1.149 0.000 0.996 216 T HN 0.733 nan 8.240 nan 0.000 0.448 217 A N 2.621 125.398 122.820 -0.072 0.000 2.375 217 A HA 0.744 5.064 4.320 0.001 0.000 0.295 217 A C -0.768 176.865 177.584 0.082 0.000 1.066 217 A CA -0.684 51.387 52.037 0.057 0.000 0.722 217 A CB 1.202 20.265 19.000 0.105 0.000 1.206 217 A HN 0.796 nan 8.150 nan 0.000 0.435 218 E N 2.032 122.333 120.200 0.169 0.000 2.241 218 E HA 0.333 4.683 4.350 0.001 0.000 0.263 218 E C -1.516 175.245 176.600 0.268 0.000 0.882 218 E CA -0.513 56.020 56.400 0.222 0.000 0.769 218 E CB 1.107 30.992 29.700 0.309 0.000 1.185 218 E HN 0.811 nan 8.360 nan 0.000 0.415 219 H N 3.460 122.654 119.070 0.207 0.000 2.476 219 H HA 0.381 4.937 4.556 0.001 0.000 0.328 219 H C -1.249 174.178 175.328 0.164 0.000 1.073 219 H CA -0.282 55.880 56.048 0.191 0.000 1.229 219 H CB 1.556 31.451 29.762 0.220 0.000 1.432 219 H HN 0.434 nan 8.280 nan 0.000 0.477 220 T N 4.891 119.216 114.554 -0.383 0.000 2.779 220 T HA 0.126 4.476 4.350 0.001 0.000 0.280 220 T C -0.308 174.219 174.700 -0.288 0.000 0.987 220 T CA -0.688 61.283 62.100 -0.216 0.000 0.966 220 T CB 1.564 70.332 68.868 -0.168 0.000 0.933 220 T HN 0.497 nan 8.240 nan 0.000 0.442 221 Q N 2.172 121.965 119.800 -0.011 0.000 2.333 221 Q HA 0.491 4.831 4.340 0.001 0.000 0.268 221 Q C -0.936 175.139 176.000 0.125 0.000 1.007 221 Q CA -0.363 55.485 55.803 0.075 0.000 0.810 221 Q CB 1.145 30.005 28.738 0.204 0.000 1.264 221 Q HN 0.602 nan 8.270 nan 0.000 0.452 222 S N 5.308 121.063 115.700 0.092 0.000 2.523 222 S HA 0.809 5.280 4.470 0.001 0.000 0.275 222 S C -0.225 174.436 174.600 0.102 0.000 1.281 222 S CA -0.418 57.849 58.200 0.111 0.000 1.050 222 S CB 0.089 63.332 63.200 0.072 0.000 0.937 222 S HN 0.716 nan 8.310 nan 0.000 0.492 223 M N 0.403 120.068 119.600 0.109 0.000 2.853 223 M HA 0.412 4.892 4.480 0.001 0.000 0.273 223 M C -1.411 174.939 176.300 0.083 0.000 1.128 223 M CA -1.137 54.215 55.300 0.087 0.000 0.814 223 M CB 0.410 33.062 32.600 0.088 0.000 1.667 223 M HN 0.169 nan 8.290 nan 0.000 0.519 224 L N 0.711 121.975 121.223 0.068 0.000 3.829 224 L HA -0.231 4.109 4.340 0.001 0.000 0.440 224 L C 0.354 177.269 176.870 0.075 0.000 1.192 224 L CA 1.588 56.467 54.840 0.065 0.000 0.848 224 L CB -2.359 39.739 42.059 0.064 0.000 1.744 224 L HN 1.038 nan 8.230 nan 0.000 0.920 225 K N -2.084 118.362 120.400 0.076 0.000 3.071 225 K HA -0.188 4.132 4.320 0.001 0.000 0.265 225 K C 1.022 177.688 176.600 0.110 0.000 1.060 225 K CA 0.888 57.227 56.287 0.086 0.000 0.767 225 K CB -1.375 31.173 32.500 0.079 0.000 1.241 225 K HN 0.844 nan 8.250 nan 0.000 0.486 226 G N -0.564 108.302 108.800 0.111 0.000 2.827 226 G HA2 0.626 4.586 3.960 0.001 0.000 0.202 226 G HA3 0.626 4.586 3.960 0.001 0.000 0.202 226 G C -1.471 173.529 174.900 0.165 0.000 1.185 226 G CA -0.124 45.044 45.100 0.114 0.000 0.920 226 G HN 0.301 nan 8.290 nan 0.000 0.550 227 Y N -1.193 119.176 120.300 0.115 0.000 2.764 227 Y HA 0.777 5.328 4.550 0.001 0.000 0.331 227 Y C -1.328 174.625 175.900 0.088 0.000 1.280 227 Y CA -1.486 56.659 58.100 0.075 0.000 1.065 227 Y CB 1.506 39.980 38.460 0.024 0.000 1.319 227 Y HN 0.653 nan 8.280 nan 0.000 0.453 228 N N 1.245 120.164 118.700 0.365 0.000 2.336 228 N HA 0.345 5.085 4.740 0.001 0.000 0.290 228 N C -2.189 173.495 175.510 0.291 0.000 1.058 228 N CA -0.650 52.571 53.050 0.286 0.000 0.865 228 N CB 2.429 41.089 38.487 0.287 0.000 1.581 228 N HN 0.827 nan 8.380 nan 0.000 0.480 229 K N 2.447 122.934 120.400 0.144 0.000 2.292 229 K HA 0.376 4.697 4.320 0.001 0.000 0.257 229 K C -1.403 175.303 176.600 0.175 0.000 0.940 229 K CA -0.631 55.698 56.287 0.070 0.000 0.811 229 K CB 1.918 34.309 32.500 -0.182 0.000 1.120 229 K HN 0.353 nan 8.250 nan 0.000 0.428 230 F N 3.615 123.642 119.950 0.128 0.000 2.449 230 F HA 0.425 4.952 4.527 0.001 0.000 0.342 230 F C -1.055 174.819 175.800 0.124 0.000 1.127 230 F CA -0.772 57.306 58.000 0.130 0.000 0.975 230 F CB 1.030 40.117 39.000 0.145 0.000 1.146 230 F HN 0.125 nan 8.300 nan 0.000 0.444 231 V N 6.459 126.047 119.914 -0.544 0.000 2.604 231 V HA 0.628 4.748 4.120 0.001 0.000 0.305 231 V C -0.926 174.851 176.094 -0.528 0.000 1.043 231 V CA -0.899 61.161 62.300 -0.400 0.000 0.888 231 V CB 1.757 33.388 31.823 -0.320 0.000 0.995 231 V HN 0.551 nan 8.190 nan 0.000 0.429 232 V N 4.669 124.421 119.914 -0.270 0.000 2.483 232 V HA 0.554 4.674 4.120 0.001 0.000 0.297 232 V C -0.552 175.539 176.094 -0.004 0.000 1.027 232 V CA -0.449 61.797 62.300 -0.089 0.000 0.855 232 V CB 1.728 33.581 31.823 0.050 0.000 0.995 232 V HN 0.975 nan 8.190 nan 0.000 0.424 233 Q N 3.080 122.904 119.800 0.040 0.000 2.359 233 Q HA 0.596 4.936 4.340 0.001 0.000 0.274 233 Q C -1.943 174.039 176.000 -0.030 0.000 1.074 233 Q CA -0.817 54.973 55.803 -0.021 0.000 0.810 233 Q CB 3.449 32.124 28.738 -0.105 0.000 1.342 233 Q HN 0.740 nan 8.270 nan 0.000 0.427 234 Y N 0.804 120.942 120.300 -0.269 0.000 2.346 234 Y HA 0.716 5.266 4.550 0.001 0.000 0.332 234 Y C -1.659 174.108 175.900 -0.222 0.000 0.985 234 Y CA -0.608 57.177 58.100 -0.524 0.000 1.112 234 Y CB 1.331 39.332 38.460 -0.766 0.000 1.170 234 Y HN 0.724 nan 8.280 nan 0.000 0.447 235 A N 3.771 126.140 122.820 -0.752 0.000 2.380 235 A HA 0.839 5.159 4.320 0.001 0.000 0.315 235 A C -0.937 176.274 177.584 -0.621 0.000 1.101 235 A CA -0.720 51.012 52.037 -0.508 0.000 0.771 235 A CB 1.606 20.435 19.000 -0.284 0.000 1.287 235 A HN 0.645 nan 8.150 nan 0.000 0.436 236 T N 1.414 115.792 114.554 -0.293 0.000 2.841 236 T HA 0.490 4.841 4.350 0.001 0.000 0.283 236 T C 0.014 174.711 174.700 -0.005 0.000 1.000 236 T CA 0.145 62.170 62.100 -0.124 0.000 0.977 236 T CB 0.914 69.834 68.868 0.086 0.000 0.979 236 T HN 0.802 nan 8.240 nan 0.000 0.446 237 D N 2.479 122.910 120.400 0.052 0.000 4.186 237 D HA -0.351 4.290 4.640 0.001 0.000 0.245 237 D C 1.827 178.158 176.300 0.052 0.000 0.660 237 D CA 2.073 56.121 54.000 0.081 0.000 0.950 237 D CB -1.203 39.642 40.800 0.074 0.000 0.415 237 D HN 0.698 nan 8.370 nan 0.000 0.358 238 A N -0.054 122.763 122.820 -0.004 0.000 2.139 238 A HA -0.165 4.156 4.320 0.001 0.000 0.221 238 A C 2.059 179.610 177.584 -0.055 0.000 1.159 238 A CA 2.254 54.263 52.037 -0.047 0.000 0.662 238 A CB -0.353 18.587 19.000 -0.100 0.000 0.796 238 A HN 0.396 nan 8.150 nan 0.000 0.463 239 M N -0.107 119.457 119.600 -0.060 0.000 2.561 239 M HA -0.003 4.478 4.480 0.001 0.000 0.238 239 M C 1.914 178.192 176.300 -0.037 0.000 1.131 239 M CA 1.506 56.758 55.300 -0.079 0.000 1.046 239 M CB -1.210 31.315 32.600 -0.125 0.000 1.532 239 M HN 0.654 nan 8.290 nan 0.000 0.497 240 T N -3.148 111.429 114.554 0.039 0.000 3.014 240 T HA 0.003 4.353 4.350 0.001 0.000 0.263 240 T C 1.769 176.570 174.700 0.169 0.000 1.078 240 T CA 1.257 63.408 62.100 0.085 0.000 1.135 240 T CB -0.358 68.625 68.868 0.193 0.000 0.895 240 T HN 0.184 nan 8.240 nan 0.000 0.480 241 T N 1.869 116.555 114.554 0.220 0.000 2.614 241 T HA -0.107 4.244 4.350 0.001 0.000 0.263 241 T C 1.995 176.753 174.700 0.098 0.000 1.055 241 T CA 1.365 63.600 62.100 0.224 0.000 1.162 241 T CB -0.427 68.514 68.868 0.122 0.000 0.863 241 T HN 0.343 nan 8.240 nan 0.000 0.414 242 Q N 0.684 120.502 119.800 0.029 0.000 2.079 242 Q HA -0.046 4.295 4.340 0.001 0.000 0.200 242 Q C 1.716 177.715 176.000 -0.002 0.000 0.974 242 Q CA 1.335 57.133 55.803 -0.007 0.000 0.840 242 Q CB -0.528 28.183 28.738 -0.045 0.000 0.898 242 Q HN 0.721 nan 8.270 nan 0.000 0.430 243 G N 1.179 109.977 108.800 -0.005 0.000 2.198 243 G HA2 -0.285 3.675 3.960 0.001 0.000 0.260 243 G HA3 -0.285 3.675 3.960 0.001 0.000 0.260 243 G C 0.434 175.329 174.900 -0.009 0.000 1.025 243 G CA 0.927 46.023 45.100 -0.006 0.000 0.769 243 G HN 0.455 nan 8.290 nan 0.000 0.507 244 K N -1.347 119.039 120.400 -0.023 0.000 2.517 244 K HA 0.471 4.791 4.320 0.001 0.000 0.210 244 K C 1.543 178.193 176.600 0.084 0.000 1.166 244 K CA 0.300 56.589 56.287 0.004 0.000 1.030 244 K CB 1.371 33.837 32.500 -0.056 0.000 0.974 244 K HN 1.132 nan 8.250 nan 0.000 0.585 245 G N 1.237 110.054 108.800 0.028 0.000 2.260 245 G HA2 -0.198 3.762 3.960 0.001 0.000 0.179 245 G HA3 -0.198 3.762 3.960 0.001 0.000 0.179 245 G C -0.263 174.619 174.900 -0.030 0.000 1.002 245 G CA -0.554 44.581 45.100 0.059 0.000 0.677 245 G HN 0.175 nan 8.290 nan 0.000 0.486 246 Q N 0.535 120.297 119.800 -0.062 0.000 2.235 246 Q HA 0.690 5.031 4.340 0.001 0.000 0.250 246 Q C 0.239 176.164 176.000 -0.125 0.000 0.909 246 Q CA 0.088 55.827 55.803 -0.107 0.000 0.910 246 Q CB 1.822 30.499 28.738 -0.103 0.000 1.223 246 Q HN 0.575 nan 8.270 nan 0.000 0.432 247 A N 2.601 125.322 122.820 -0.166 0.000 2.331 247 A HA 0.438 4.759 4.320 0.001 0.000 0.283 247 A C -0.271 177.231 177.584 -0.137 0.000 1.142 247 A CA -0.525 51.408 52.037 -0.173 0.000 0.812 247 A CB 0.489 19.343 19.000 -0.244 0.000 1.074 247 A HN 0.633 nan 8.150 nan 0.000 0.497 248 R N 2.839 123.273 120.500 -0.110 0.000 2.835 248 R HA 0.185 4.525 4.340 0.001 0.000 0.290 248 R C 1.121 177.367 176.300 -0.090 0.000 1.410 248 R CA 0.278 56.323 56.100 -0.092 0.000 1.590 248 R CB 0.521 30.782 30.300 -0.065 0.000 1.288 248 R HN 0.911 nan 8.270 nan 0.000 0.637 249 G N 0.644 109.383 108.800 -0.102 0.000 2.470 249 G HA2 -0.233 3.727 3.960 0.001 0.000 0.220 249 G HA3 -0.233 3.727 3.960 0.001 0.000 0.220 249 G C 1.023 175.886 174.900 -0.062 0.000 1.121 249 G CA 0.936 45.985 45.100 -0.085 0.000 0.766 249 G HN 0.448 nan 8.290 nan 0.000 0.553 250 S N -0.452 115.208 115.700 -0.066 0.000 2.593 250 S HA 0.184 4.654 4.470 0.001 0.000 0.236 250 S C 0.077 174.646 174.600 -0.051 0.000 0.991 250 S CA -0.249 57.924 58.200 -0.045 0.000 0.963 250 S CB 0.335 63.501 63.200 -0.057 0.000 0.865 250 S HN 0.184 nan 8.310 nan 0.000 0.488 251 D N 1.691 122.045 120.400 -0.076 0.000 2.533 251 D HA 0.386 5.026 4.640 0.001 0.000 0.236 251 D C 1.397 177.631 176.300 -0.109 0.000 1.137 251 D CA 2.152 56.094 54.000 -0.096 0.000 0.867 251 D CB -0.084 40.645 40.800 -0.117 0.000 1.170 251 D HN 0.436 nan 8.370 nan 0.000 0.474 252 G N 2.161 110.906 108.800 -0.093 0.000 2.195 252 G HA2 -0.230 3.731 3.960 0.001 0.000 0.224 252 G HA3 -0.230 3.731 3.960 0.001 0.000 0.224 252 G C 0.449 175.343 174.900 -0.010 0.000 0.990 252 G CA 0.159 45.208 45.100 -0.085 0.000 0.639 252 G HN 0.633 nan 8.290 nan 0.000 0.514 253 S N 0.349 116.064 115.700 0.025 0.000 2.579 253 S HA 0.678 5.149 4.470 0.001 0.000 0.275 253 S C 0.480 175.156 174.600 0.127 0.000 1.345 253 S CA 0.704 58.969 58.200 0.109 0.000 1.031 253 S CB 1.492 64.784 63.200 0.152 0.000 0.892 253 S HN 1.906 nan 8.310 nan 0.000 0.529 254 S N 0.326 116.139 115.700 0.189 0.000 2.615 254 S HA 0.786 5.257 4.470 0.001 0.000 0.268 254 S C -1.068 173.686 174.600 0.257 0.000 1.146 254 S CA -0.719 57.599 58.200 0.197 0.000 0.818 254 S CB 1.250 64.538 63.200 0.148 0.000 1.111 254 S HN 1.076 nan 8.310 nan 0.000 0.465 255 S N 0.255 116.134 115.700 0.298 0.000 2.588 255 S HA 0.884 5.354 4.470 0.001 0.000 0.269 255 S C -1.317 173.544 174.600 0.435 0.000 1.157 255 S CA -0.942 57.488 58.200 0.382 0.000 0.824 255 S CB 1.121 64.593 63.200 0.453 0.000 1.126 255 S HN 2.065 nan 8.310 nan 0.000 0.464 256 F N -1.126 118.957 119.950 0.221 0.000 2.591 256 F HA 0.862 5.390 4.527 0.001 0.000 0.309 256 F C -1.020 174.887 175.800 0.177 0.000 1.098 256 F CA -0.669 57.434 58.000 0.172 0.000 0.937 256 F CB 1.375 40.456 39.000 0.135 0.000 1.250 256 F HN 0.607 nan 8.300 nan 0.000 0.447 257 T N 2.661 117.234 114.554 0.031 0.000 2.888 257 T HA 0.660 5.010 4.350 0.001 0.000 0.284 257 T C -0.887 173.828 174.700 0.025 0.000 1.017 257 T CA -0.654 61.380 62.100 -0.110 0.000 1.022 257 T CB 1.978 70.810 68.868 -0.060 0.000 1.013 257 T HN 0.888 nan 8.240 nan 0.000 0.465 266 I N 2.230 122.649 120.570 -0.252 0.000 2.441 266 I HA 0.330 4.501 4.170 0.001 0.000 0.295 266 I C -0.352 175.344 176.117 -0.701 0.000 0.994 266 I CA -1.030 59.992 61.300 -0.464 0.000 1.144 266 I CB 1.627 39.336 38.000 -0.484 0.000 1.314 266 I HN 0.363 nan 8.210 nan 0.000 0.445 267 N N 5.810 123.990 118.700 -0.866 0.000 2.425 267 N HA 0.366 5.107 4.740 0.001 0.000 0.268 267 N C -1.454 173.412 175.510 -1.073 0.000 0.991 267 N CA -0.404 52.038 53.050 -1.013 0.000 0.931 267 N CB 1.517 39.136 38.487 -1.445 0.000 1.130 267 N HN 0.360 nan 8.380 nan 0.000 0.493 268 Y N 0.235 120.216 120.300 -0.531 0.000 2.328 268 Y HA 0.473 5.023 4.550 0.001 0.000 0.336 268 Y C 0.242 176.187 175.900 0.074 0.000 0.960 268 Y CA -1.105 56.830 58.100 -0.274 0.000 1.134 268 Y CB 1.489 39.619 38.460 -0.550 0.000 1.166 268 Y HN 0.489 nan 8.280 nan 0.000 0.464 269 A N 4.455 127.469 122.820 0.323 0.000 2.279 269 A HA 0.354 4.674 4.320 0.001 0.000 0.306 269 A C 0.017 177.679 177.584 0.130 0.000 1.300 269 A CA -0.764 51.315 52.037 0.069 0.000 0.925 269 A CB -0.247 18.512 19.000 -0.401 0.000 1.152 269 A HN 0.778 nan 8.150 nan 0.000 0.544 270 N N 1.443 120.261 118.700 0.196 0.000 2.340 270 N HA 0.020 4.761 4.740 0.001 0.000 0.236 270 N C 0.137 175.704 175.510 0.096 0.000 1.296 270 N CA 0.312 53.464 53.050 0.170 0.000 0.896 270 N CB 0.433 39.025 38.487 0.175 0.000 1.127 270 N HN 0.676 nan 8.380 nan 0.000 0.442 271 K N 0.549 120.990 120.400 0.069 0.000 2.368 271 K HA 0.128 4.449 4.320 0.001 0.000 0.282 271 K C -0.663 175.967 176.600 0.050 0.000 1.035 271 K CA -0.401 55.912 56.287 0.044 0.000 0.973 271 K CB 0.461 32.977 32.500 0.027 0.000 0.957 271 K HN 0.179 nan 8.250 nan 0.000 0.474 272 V N 6.668 126.610 119.914 0.047 0.000 2.493 272 V HA -0.068 4.053 4.120 0.001 0.000 0.292 272 V C 0.740 176.828 176.094 -0.010 0.000 1.016 272 V CA 0.193 62.511 62.300 0.030 0.000 1.097 272 V CB 0.292 32.134 31.823 0.032 0.000 0.947 272 V HN 0.703 nan 8.190 nan 0.000 0.479 273 I N 6.358 126.908 120.570 -0.033 0.000 2.206 273 I HA 0.244 4.414 4.170 0.001 0.000 0.292 273 I C 0.871 176.878 176.117 -0.183 0.000 1.156 273 I CA -0.691 60.561 61.300 -0.079 0.000 1.356 273 I CB -0.201 37.767 38.000 -0.053 0.000 1.494 273 I HN 0.880 nan 8.210 nan 0.000 0.601 274 N N 5.089 123.687 118.700 -0.171 0.000 2.260 274 N HA -0.089 4.651 4.740 0.001 0.000 0.230 274 N C 0.152 175.389 175.510 -0.455 0.000 1.323 274 N CA 0.092 53.002 53.050 -0.233 0.000 0.897 274 N CB 0.091 38.500 38.487 -0.131 0.000 1.146 274 N HN 0.662 nan 8.380 nan 0.000 0.460 275 N N -1.462 116.972 118.700 -0.444 0.000 2.380 275 N HA 0.050 4.790 4.740 0.001 0.000 0.255 275 N C -0.831 174.547 175.510 -0.220 0.000 1.158 275 N CA -0.660 51.975 53.050 -0.691 0.000 0.878 275 N CB -0.191 38.080 38.487 -0.361 0.000 1.138 275 N HN 0.320 nan 8.380 nan 0.000 0.509 276 N N 1.433 120.056 118.700 -0.128 0.000 2.483 276 N HA 0.269 5.009 4.740 0.001 0.000 0.264 276 N C 0.650 176.290 175.510 0.216 0.000 1.197 276 N CA 0.877 53.959 53.050 0.053 0.000 0.927 276 N CB 1.485 39.994 38.487 0.037 0.000 1.065 276 N HN 0.633 nan 8.380 nan 0.000 0.461 277 G N 1.142 110.092 108.800 0.250 0.000 2.373 277 G HA2 0.032 3.992 3.960 0.001 0.000 0.250 277 G HA3 0.032 3.992 3.960 0.001 0.000 0.250 277 G C -1.744 173.241 174.900 0.142 0.000 1.304 277 G CA -0.702 44.562 45.100 0.274 0.000 0.948 277 G HN 0.708 nan 8.290 nan 0.000 0.474 278 N N -1.115 117.614 118.700 0.048 0.000 2.732 278 N HA 0.643 5.384 4.740 0.001 0.000 0.259 278 N C -1.018 174.370 175.510 -0.204 0.000 1.402 278 N CA -0.761 52.204 53.050 -0.141 0.000 0.829 278 N CB 2.392 40.829 38.487 -0.084 0.000 1.495 278 N HN 0.871 nan 8.380 nan 0.000 0.511 279 M N 0.605 119.981 119.600 -0.374 0.000 2.446 279 M HA 0.459 4.939 4.480 0.001 0.000 0.294 279 M C -2.301 173.832 176.300 -0.277 0.000 1.158 279 M CA -0.545 54.601 55.300 -0.255 0.000 0.899 279 M CB 2.521 34.982 32.600 -0.232 0.000 1.687 279 M HN 0.750 nan 8.290 nan 0.000 0.455 280 W N 3.869 125.160 121.300 -0.015 0.000 2.739 280 W HA 0.607 5.268 4.660 0.001 0.000 0.331 280 W C -0.708 175.784 176.519 -0.045 0.000 1.049 280 W CA -0.557 56.833 57.345 0.075 0.000 1.234 280 W CB 1.686 31.233 29.460 0.145 0.000 1.404 280 W HN 0.520 nan 8.180 nan 0.000 0.477 281 R N 4.711 125.366 120.500 0.258 0.000 2.514 281 R HA 0.593 4.933 4.340 0.001 0.000 0.296 281 R C -1.603 174.741 176.300 0.073 0.000 1.012 281 R CA -0.507 55.633 56.100 0.067 0.000 0.897 281 R CB 0.975 31.275 30.300 -0.000 0.000 1.184 281 R HN 0.630 nan 8.270 nan 0.000 0.440 282 I N 6.083 126.668 120.570 0.024 0.000 2.410 282 I HA 0.386 4.556 4.170 0.001 0.000 0.286 282 I C -0.684 175.352 176.117 -0.134 0.000 1.009 282 I CA -0.710 60.553 61.300 -0.062 0.000 1.111 282 I CB 1.839 39.864 38.000 0.042 0.000 1.262 282 I HN 0.436 nan 8.210 nan 0.000 0.443 283 L N 6.115 127.177 121.223 -0.268 0.000 2.388 283 L HA 0.630 4.970 4.340 0.001 0.000 0.264 283 L C -1.689 175.119 176.870 -0.103 0.000 0.998 283 L CA -0.370 54.359 54.840 -0.185 0.000 0.817 283 L CB 2.472 44.359 42.059 -0.287 0.000 1.338 283 L HN 0.591 nan 8.230 nan 0.000 0.414 284 D N 2.244 122.714 120.400 0.116 0.000 2.890 284 D HA 0.361 5.002 4.640 0.001 0.000 0.233 284 D C -1.662 174.829 176.300 0.319 0.000 1.306 284 D CA -0.174 53.990 54.000 0.272 0.000 0.929 284 D CB 1.500 42.552 40.800 0.420 0.000 1.512 284 D HN 0.771 nan 8.370 nan 0.000 0.568 285 H N 0.530 119.675 119.070 0.125 0.000 2.985 285 H HA 0.846 5.402 4.556 0.001 0.000 0.360 285 H C -0.526 174.654 175.328 -0.247 0.000 1.221 285 H CA -0.894 55.106 56.048 -0.079 0.000 1.121 285 H CB 2.148 31.917 29.762 0.012 0.000 1.854 285 H HN 0.486 nan 8.280 nan 0.000 0.551 286 G N -0.701 107.618 108.800 -0.802 0.000 2.495 286 G HA2 0.633 4.593 3.960 0.001 0.000 0.294 286 G HA3 0.633 4.593 3.960 0.001 0.000 0.294 286 G C -1.921 172.538 174.900 -0.734 0.000 1.397 286 G CA -0.571 44.050 45.100 -0.799 0.000 0.790 286 G HN 1.122 nan 8.290 nan 0.000 0.486 287 A N -0.064 122.382 122.820 -0.623 0.000 2.429 287 A HA 0.821 5.142 4.320 0.001 0.000 0.289 287 A C -0.564 176.941 177.584 -0.132 0.000 1.043 287 A CA -0.288 51.593 52.037 -0.259 0.000 0.722 287 A CB 0.635 19.610 19.000 -0.042 0.000 1.243 287 A HN 1.939 nan 8.150 nan 0.000 0.415 288 I N -1.669 118.920 120.570 0.031 0.000 3.191 288 I HA 0.807 4.977 4.170 0.001 0.000 0.313 288 I C -0.617 175.555 176.117 0.092 0.000 1.193 288 I CA -0.859 60.486 61.300 0.075 0.000 0.968 288 I CB 2.288 40.355 38.000 0.112 0.000 1.262 288 I HN 0.283 nan 8.210 nan 0.000 0.456 289 S N 3.278 119.034 115.700 0.092 0.000 2.456 289 S HA 0.574 5.044 4.470 0.001 0.000 0.316 289 S C -0.581 174.077 174.600 0.096 0.000 1.089 289 S CA -0.501 57.758 58.200 0.098 0.000 1.101 289 S CB 1.204 64.457 63.200 0.087 0.000 0.995 289 S HN 0.343 nan 8.310 nan 0.000 0.468 290 L N 4.089 125.389 121.223 0.128 0.000 2.407 290 L HA 0.511 4.851 4.340 0.001 0.000 0.261 290 L C 1.158 178.124 176.870 0.159 0.000 1.108 290 L CA 0.615 55.520 54.840 0.108 0.000 0.995 290 L CB -0.829 41.265 42.059 0.059 0.000 1.349 290 L HN 1.022 nan 8.230 nan 0.000 0.423 291 G N 2.657 111.523 108.800 0.109 0.000 2.568 291 G HA2 -0.240 3.720 3.960 0.001 0.000 0.222 291 G HA3 -0.240 3.720 3.960 0.001 0.000 0.222 291 G C 0.379 175.325 174.900 0.076 0.000 1.321 291 G CA -0.013 45.149 45.100 0.104 0.000 0.893 291 G HN 0.376 nan 8.290 nan 0.000 0.569 292 D N 0.197 120.624 120.400 0.045 0.000 2.183 292 D HA 0.049 4.690 4.640 0.001 0.000 0.205 292 D C 2.197 178.427 176.300 -0.116 0.000 0.962 292 D CA 1.108 55.095 54.000 -0.022 0.000 0.849 292 D CB 0.017 40.798 40.800 -0.031 0.000 0.978 292 D HN 0.285 nan 8.370 nan 0.000 0.488 293 K N -0.521 119.773 120.400 -0.176 0.000 2.374 293 K HA 0.104 4.424 4.320 0.001 0.000 0.196 293 K C -0.188 176.002 176.600 -0.682 0.000 1.023 293 K CA -0.078 55.875 56.287 -0.557 0.000 1.103 293 K CB 0.342 32.370 32.500 -0.786 0.000 0.848 293 K HN 0.163 nan 8.250 nan 0.000 0.528 294 W N 0.826 122.058 121.300 -0.113 0.000 2.739 294 W HA 0.307 4.967 4.660 0.001 0.000 0.331 294 W C -0.529 175.970 176.519 -0.033 0.000 1.049 294 W CA -0.701 56.615 57.345 -0.048 0.000 1.234 294 W CB 1.482 30.947 29.460 0.008 0.000 1.404 294 W HN -0.204 nan 8.180 nan 0.000 0.477 295 D N 1.808 122.349 120.400 0.235 0.000 2.419 295 D HA 0.699 5.340 4.640 0.001 0.000 0.234 295 D C -1.701 174.698 176.300 0.165 0.000 1.014 295 D CA -0.582 53.502 54.000 0.139 0.000 0.919 295 D CB 2.261 43.088 40.800 0.046 0.000 1.366 295 D HN 0.231 nan 8.370 nan 0.000 0.490 296 L N 1.163 122.455 121.223 0.114 0.000 2.493 296 L HA 0.543 4.883 4.340 0.001 0.000 0.265 296 L C -1.791 175.145 176.870 0.109 0.000 0.954 296 L CA -0.240 54.679 54.840 0.132 0.000 0.844 296 L CB 1.576 43.727 42.059 0.154 0.000 1.302 296 L HN 0.404 nan 8.230 nan 0.000 0.405 297 M N 4.899 124.548 119.600 0.082 0.000 2.508 297 M HA 0.599 5.079 4.480 0.001 0.000 0.327 297 M C -1.558 174.834 176.300 0.155 0.000 1.160 297 M CA -0.702 54.597 55.300 -0.001 0.000 0.980 297 M CB 2.035 34.587 32.600 -0.080 0.000 1.693 297 M HN 0.648 nan 8.290 nan 0.000 0.452 298 Y N -0.314 120.048 120.300 0.104 0.000 2.609 298 Y HA 0.858 5.409 4.550 0.001 0.000 0.336 298 Y C -1.669 174.346 175.900 0.192 0.000 1.129 298 Y CA -1.403 56.777 58.100 0.133 0.000 1.040 298 Y CB 0.852 39.367 38.460 0.091 0.000 1.310 298 Y HN 0.406 nan 8.280 nan 0.000 0.460 299 V N 0.130 120.246 119.914 0.336 0.000 2.971 299 V HA 0.981 5.102 4.120 0.001 0.000 0.309 299 V C -0.367 175.892 176.094 0.275 0.000 1.130 299 V CA -0.515 61.944 62.300 0.264 0.000 0.964 299 V CB 1.725 33.654 31.823 0.178 0.000 1.029 299 V HN 1.394 nan 8.190 nan 0.000 0.427 300 G N 2.797 111.728 108.800 0.218 0.000 2.719 300 G HA2 0.678 4.638 3.960 0.001 0.000 0.284 300 G HA3 0.678 4.638 3.960 0.001 0.000 0.284 300 G C -1.337 173.617 174.900 0.089 0.000 1.488 300 G CA -0.448 44.765 45.100 0.190 0.000 1.139 300 G HN 0.806 nan 8.290 nan 0.000 0.552 301 M N 2.879 122.473 119.600 -0.010 0.000 2.378 301 M HA 0.662 5.142 4.480 0.001 0.000 0.289 301 M C -2.337 173.816 176.300 -0.244 0.000 1.136 301 M CA -1.100 54.094 55.300 -0.176 0.000 0.917 301 M CB 2.770 35.122 32.600 -0.413 0.000 1.669 301 M HN 0.532 nan 8.290 nan 0.000 0.461 302 Y N 3.580 123.639 120.300 -0.402 0.000 2.331 302 Y HA 0.553 5.103 4.550 0.001 0.000 0.334 302 Y C -1.462 174.171 175.900 -0.445 0.000 0.960 302 Y CA -0.261 57.449 58.100 -0.651 0.000 1.130 302 Y CB 1.397 39.387 38.460 -0.783 0.000 1.164 302 Y HN 0.737 nan 8.280 nan 0.000 0.458 303 Q N 5.474 124.668 119.800 -1.012 0.000 2.304 303 Q HA 0.382 4.722 4.340 0.001 0.000 0.270 303 Q C -2.011 173.574 176.000 -0.691 0.000 1.035 303 Q CA -0.795 54.637 55.803 -0.618 0.000 0.781 303 Q CB 1.342 29.928 28.738 -0.252 0.000 1.261 303 Q HN 0.784 nan 8.270 nan 0.000 0.444 304 N N 4.508 122.906 118.700 -0.503 0.000 2.491 304 N HA 0.384 5.124 4.740 0.001 0.000 0.274 304 N C -1.623 173.780 175.510 -0.178 0.000 1.023 304 N CA -0.373 52.480 53.050 -0.327 0.000 0.902 304 N CB 1.075 39.432 38.487 -0.216 0.000 1.267 304 N HN 0.618 nan 8.380 nan 0.000 0.503 305 I N 2.016 122.426 120.570 -0.266 0.000 2.291 305 I HA 0.186 4.357 4.170 0.001 0.000 0.290 305 I C -0.299 175.555 176.117 -0.439 0.000 1.050 305 I CA -0.558 60.470 61.300 -0.454 0.000 1.245 305 I CB 0.841 38.394 38.000 -0.745 0.000 1.405 305 I HN 0.469 nan 8.210 nan 0.000 0.478 306 D N 7.713 127.949 120.400 -0.272 0.000 2.467 306 D HA 0.147 4.787 4.640 0.001 0.000 0.220 306 D C -1.046 175.253 176.300 -0.002 0.000 1.103 306 D CA -0.249 53.699 54.000 -0.087 0.000 0.886 306 D CB 0.554 41.388 40.800 0.056 0.000 1.025 306 D HN 0.186 nan 8.370 nan 0.000 0.514 307 W N 2.697 124.011 121.300 0.024 0.000 2.417 307 W HA 0.201 4.861 4.660 0.001 0.000 0.317 307 W C 1.060 177.593 176.519 0.024 0.000 1.121 307 W CA -0.917 56.437 57.345 0.014 0.000 1.208 307 W CB 1.191 30.649 29.460 -0.004 0.000 1.253 307 W HN 0.344 nan 8.180 nan 0.000 0.533 308 D N 1.387 121.957 120.400 0.283 0.000 2.158 308 D HA -0.232 4.408 4.640 0.001 0.000 0.197 308 D C 1.576 177.956 176.300 0.133 0.000 0.995 308 D CA 1.761 55.859 54.000 0.165 0.000 0.846 308 D CB -0.207 40.666 40.800 0.121 0.000 0.941 308 D HN 0.413 nan 8.370 nan 0.000 0.456 309 N N 0.275 119.051 118.700 0.126 0.000 2.521 309 N HA -0.125 4.616 4.740 0.001 0.000 0.188 309 N C -0.104 175.479 175.510 0.122 0.000 1.146 309 N CA 0.280 53.384 53.050 0.091 0.000 0.893 309 N CB -0.380 38.121 38.487 0.024 0.000 0.975 309 N HN -0.040 nan 8.380 nan 0.000 0.451 310 N N -0.594 118.206 118.700 0.168 0.000 2.818 310 N HA -0.146 4.594 4.740 0.001 0.000 0.250 310 N C -0.641 174.953 175.510 0.140 0.000 1.108 310 N CA 0.707 53.842 53.050 0.142 0.000 0.745 310 N CB -1.535 37.008 38.487 0.093 0.000 1.104 310 N HN 0.430 nan 8.380 nan 0.000 0.557 311 L N -0.328 121.032 121.223 0.229 0.000 2.791 311 L HA 0.306 4.647 4.340 0.001 0.000 0.239 311 L C 1.698 178.787 176.870 0.365 0.000 1.203 311 L CA -0.011 54.957 54.840 0.214 0.000 1.002 311 L CB 0.234 42.342 42.059 0.082 0.000 1.295 311 L HN 0.160 nan 8.230 nan 0.000 0.504 312 G N 0.267 109.201 108.800 0.223 0.000 2.509 312 G HA2 0.551 4.511 3.960 0.001 0.000 0.269 312 G HA3 0.551 4.511 3.960 0.001 0.000 0.269 312 G C -0.266 174.564 174.900 -0.117 0.000 1.416 312 G CA 0.127 45.170 45.100 -0.094 0.000 1.052 312 G HN 0.186 nan 8.290 nan 0.000 0.542 313 T N -2.950 111.497 114.554 -0.178 0.000 2.932 313 T HA 0.562 4.912 4.350 0.001 0.000 0.318 313 T C -1.292 173.363 174.700 -0.076 0.000 1.265 313 T CA -0.737 61.311 62.100 -0.086 0.000 1.036 313 T CB 2.425 71.302 68.868 0.015 0.000 1.209 313 T HN 0.524 nan 8.240 nan 0.000 0.484 314 E N 1.360 121.558 120.200 -0.003 0.000 2.129 314 E HA 0.434 4.784 4.350 0.001 0.000 0.268 314 E C -1.732 174.923 176.600 0.091 0.000 0.900 314 E CA -0.746 55.634 56.400 -0.033 0.000 0.755 314 E CB 1.019 30.762 29.700 0.071 0.000 1.117 314 E HN 0.661 nan 8.360 nan 0.000 0.410 315 W N 6.480 127.584 121.300 -0.327 0.000 2.656 315 W HA 0.479 5.139 4.660 0.001 0.000 0.327 315 W C -2.050 174.282 176.519 -0.312 0.000 1.041 315 W CA -1.345 55.882 57.345 -0.198 0.000 1.229 315 W CB 0.793 30.152 29.460 -0.168 0.000 1.397 315 W HN 0.493 nan 8.180 nan 0.000 0.479 316 W N 4.746 126.076 121.300 0.049 0.000 2.702 316 W HA 0.571 5.232 4.660 0.001 0.000 0.331 316 W C -0.239 176.166 176.519 -0.191 0.000 1.049 316 W CA -0.782 56.528 57.345 -0.058 0.000 1.230 316 W CB 2.437 32.005 29.460 0.181 0.000 1.408 316 W HN 0.257 nan 8.180 nan 0.000 0.492 317 T N 2.456 116.988 114.554 -0.035 0.000 2.952 317 T HA 0.717 5.068 4.350 0.001 0.000 0.305 317 T C -1.815 173.012 174.700 0.211 0.000 1.064 317 T CA -0.464 61.670 62.100 0.058 0.000 1.008 317 T CB 0.855 69.584 68.868 -0.232 0.000 1.078 317 T HN 0.194 nan 8.240 nan 0.000 0.459 318 V N 2.889 123.005 119.914 0.337 0.000 2.808 318 V HA 0.951 5.072 4.120 0.001 0.000 0.308 318 V C 0.374 176.581 176.094 0.190 0.000 1.099 318 V CA -0.594 61.872 62.300 0.277 0.000 0.920 318 V CB 1.766 33.727 31.823 0.230 0.000 1.014 318 V HN 1.162 nan 8.190 nan 0.000 0.425 319 G N 1.451 110.372 108.800 0.202 0.000 2.684 319 G HA2 0.741 4.701 3.960 0.001 0.000 0.290 319 G HA3 0.741 4.701 3.960 0.001 0.000 0.290 319 G C -2.181 172.816 174.900 0.162 0.000 1.425 319 G CA -0.744 44.373 45.100 0.028 0.000 0.822 319 G HN 0.750 nan 8.290 nan 0.000 0.482 320 V N -0.204 119.775 119.914 0.108 0.000 2.969 320 V HA 0.771 4.892 4.120 0.001 0.000 0.304 320 V C -1.008 175.167 176.094 0.135 0.000 1.192 320 V CA -0.876 61.514 62.300 0.149 0.000 0.962 320 V CB 2.350 34.229 31.823 0.093 0.000 1.045 320 V HN 0.931 nan 8.190 nan 0.000 0.428 321 R N 6.469 127.061 120.500 0.153 0.000 2.607 321 R HA 0.503 4.844 4.340 0.001 0.000 0.278 321 R C -2.893 173.490 176.300 0.139 0.000 1.637 321 R CA -1.291 54.892 56.100 0.139 0.000 1.325 321 R CB 1.952 32.331 30.300 0.131 0.000 1.211 321 R HN 0.492 nan 8.270 nan 0.000 0.565 322 P HA 0.188 nan 4.420 nan 0.000 0.282 322 P C -1.087 176.371 177.300 0.262 0.000 1.249 322 P CA -0.521 62.723 63.100 0.240 0.000 0.806 322 P CB 1.560 33.414 31.700 0.257 0.000 0.984 323 M N 3.754 123.517 119.600 0.271 0.000 2.197 323 M HA 0.342 4.822 4.480 0.001 0.000 0.301 323 M C -1.979 174.303 176.300 -0.029 0.000 0.987 323 M CA -1.020 54.348 55.300 0.112 0.000 0.921 323 M CB 1.601 34.219 32.600 0.029 0.000 1.569 323 M HN 0.286 nan 8.290 nan 0.000 0.431 324 Y N 4.700 124.747 120.300 -0.421 0.000 2.331 324 Y HA 0.444 4.994 4.550 0.001 0.000 0.338 324 Y C -0.931 174.531 175.900 -0.731 0.000 0.992 324 Y CA -0.388 57.114 58.100 -0.997 0.000 1.121 324 Y CB 1.087 38.770 38.460 -1.296 0.000 1.184 324 Y HN 0.545 nan 8.280 nan 0.000 0.469 325 K N 6.513 126.142 120.400 -1.285 0.000 2.266 325 K HA 0.077 4.398 4.320 0.001 0.000 0.274 325 K C -0.162 175.895 176.600 -0.904 0.000 1.090 325 K CA -0.268 55.529 56.287 -0.817 0.000 0.925 325 K CB 0.510 32.700 32.500 -0.516 0.000 1.225 325 K HN 0.826 nan 8.250 nan 0.000 0.458 326 W N 1.830 122.878 121.300 -0.421 0.000 2.379 326 W HA -0.173 4.487 4.660 0.001 0.000 0.307 326 W C 1.391 177.801 176.519 -0.181 0.000 1.200 326 W CA 0.992 58.206 57.345 -0.218 0.000 1.297 326 W CB 0.118 29.530 29.460 -0.080 0.000 1.140 326 W HN 0.487 nan 8.180 nan 0.000 0.507 327 T N -5.766 108.829 114.554 0.067 0.000 2.812 327 T HA 0.332 4.682 4.350 0.001 0.000 0.294 327 T C -2.328 172.361 174.700 -0.019 0.000 1.159 327 T CA -1.677 60.439 62.100 0.027 0.000 1.008 327 T CB 1.667 70.579 68.868 0.073 0.000 1.289 327 T HN -0.445 nan 8.240 nan 0.000 0.514 328 P HA 0.060 nan 4.420 nan 0.000 0.218 328 P C 1.168 178.477 177.300 0.015 0.000 1.148 328 P CA 0.770 63.866 63.100 -0.006 0.000 0.822 328 P CB -0.262 31.445 31.700 0.012 0.000 0.784 329 I N -6.589 114.009 120.570 0.046 0.000 4.025 329 I HA 0.380 4.550 4.170 0.001 0.000 0.336 329 I C 0.436 176.591 176.117 0.064 0.000 1.390 329 I CA 0.087 61.435 61.300 0.080 0.000 1.099 329 I CB -0.112 37.965 38.000 0.129 0.000 1.049 329 I HN -0.203 nan 8.210 nan 0.000 0.394 330 M N 1.916 121.509 119.600 -0.011 0.000 2.326 330 M HA 0.702 5.183 4.480 0.001 0.000 0.292 330 M C -1.298 174.971 176.300 -0.052 0.000 1.081 330 M CA -0.227 54.975 55.300 -0.163 0.000 0.919 330 M CB 1.891 34.371 32.600 -0.200 0.000 1.634 330 M HN 0.329 nan 8.290 nan 0.000 0.451 331 S N 2.131 117.777 115.700 -0.090 0.000 2.671 331 S HA 0.768 5.239 4.470 0.001 0.000 0.277 331 S C -1.096 173.562 174.600 0.096 0.000 1.165 331 S CA -0.722 57.501 58.200 0.038 0.000 0.822 331 S CB 2.326 65.476 63.200 -0.083 0.000 1.150 331 S HN 0.630 nan 8.310 nan 0.000 0.479 332 T N 1.398 116.046 114.554 0.157 0.000 2.812 332 T HA 0.648 4.998 4.350 0.001 0.000 0.282 332 T C -0.942 173.832 174.700 0.123 0.000 0.990 332 T CA -0.401 61.816 62.100 0.196 0.000 0.960 332 T CB 0.663 69.769 68.868 0.396 0.000 0.948 332 T HN 0.525 nan 8.240 nan 0.000 0.438 333 L N 3.229 124.529 121.223 0.128 0.000 2.330 333 L HA 0.810 5.151 4.340 0.001 0.000 0.271 333 L C -0.948 176.020 176.870 0.163 0.000 1.013 333 L CA -1.032 53.889 54.840 0.135 0.000 0.816 333 L CB 1.772 43.902 42.059 0.118 0.000 1.287 333 L HN 0.418 nan 8.230 nan 0.000 0.435 334 L N 1.852 123.175 121.223 0.167 0.000 2.431 334 L HA 0.575 4.916 4.340 0.001 0.000 0.266 334 L C -1.071 175.891 176.870 0.152 0.000 0.978 334 L CA -0.028 54.911 54.840 0.166 0.000 0.822 334 L CB 2.069 44.226 42.059 0.163 0.000 1.310 334 L HN 0.670 nan 8.230 nan 0.000 0.409 335 E N 3.660 123.952 120.200 0.153 0.000 2.246 335 E HA 0.675 5.025 4.350 0.001 0.000 0.266 335 E C -1.999 174.669 176.600 0.112 0.000 0.880 335 E CA -0.697 55.787 56.400 0.140 0.000 0.762 335 E CB 1.960 31.760 29.700 0.166 0.000 1.180 335 E HN 0.501 nan 8.360 nan 0.000 0.416 336 V N 3.402 123.344 119.914 0.048 0.000 2.483 336 V HA 0.768 4.889 4.120 0.001 0.000 0.297 336 V C 0.146 176.119 176.094 -0.202 0.000 1.027 336 V CA -0.456 61.846 62.300 0.003 0.000 0.855 336 V CB 1.673 33.512 31.823 0.026 0.000 0.995 336 V HN 0.740 nan 8.190 nan 0.000 0.424 337 G N 2.921 111.515 108.800 -0.344 0.000 2.638 337 G HA2 0.629 4.589 3.960 0.001 0.000 0.302 337 G HA3 0.629 4.589 3.960 0.001 0.000 0.302 337 G C -2.208 172.558 174.900 -0.223 0.000 1.365 337 G CA -0.578 43.943 45.100 -0.964 0.000 0.987 337 G HN 0.561 nan 8.290 nan 0.000 0.495 338 Y N 1.323 121.523 120.300 -0.166 0.000 2.425 338 Y HA 0.596 5.146 4.550 0.001 0.000 0.344 338 Y C -1.159 174.913 175.900 0.287 0.000 0.969 338 Y CA -1.046 57.131 58.100 0.128 0.000 1.052 338 Y CB 2.227 40.742 38.460 0.091 0.000 1.215 338 Y HN 0.423 nan 8.280 nan 0.000 0.451 339 D N 4.552 124.761 120.400 -0.318 0.000 2.619 339 D HA 0.233 4.873 4.640 0.001 0.000 0.241 339 D C -1.504 174.584 176.300 -0.354 0.000 1.087 339 D CA -0.508 53.460 54.000 -0.054 0.000 0.851 339 D CB 2.103 43.046 40.800 0.239 0.000 1.474 339 D HN 0.568 nan 8.370 nan 0.000 0.478 340 N N 1.689 120.425 118.700 0.060 0.000 2.480 340 N HA 0.275 5.015 4.740 0.001 0.000 0.289 340 N C -1.796 173.973 175.510 0.432 0.000 1.073 340 N CA -0.347 52.802 53.050 0.165 0.000 0.885 340 N CB 1.864 40.495 38.487 0.240 0.000 1.421 340 N HN 0.042 nan 8.380 nan 0.000 0.503 341 V N 3.254 123.367 119.914 0.331 0.000 2.444 341 V HA 0.414 4.534 4.120 0.001 0.000 0.294 341 V C 0.229 176.599 176.094 0.460 0.000 1.022 341 V CA -0.896 61.623 62.300 0.365 0.000 0.850 341 V CB 1.659 33.609 31.823 0.211 0.000 0.992 341 V HN 0.467 nan 8.190 nan 0.000 0.426 342 K N 2.808 123.408 120.400 0.333 0.000 2.213 342 K HA 0.412 4.732 4.320 0.001 0.000 0.270 342 K C 0.062 176.602 176.600 -0.100 0.000 1.002 342 K CA -0.076 56.318 56.287 0.177 0.000 0.868 342 K CB 1.697 34.297 32.500 0.167 0.000 1.093 342 K HN 0.733 nan 8.250 nan 0.000 0.454 343 S N 3.083 118.421 115.700 -0.603 0.000 2.510 343 S HA -0.014 4.456 4.470 0.001 0.000 0.279 343 S C 1.113 175.442 174.600 -0.451 0.000 1.284 343 S CA 0.005 57.600 58.200 -1.008 0.000 1.059 343 S CB 1.089 63.176 63.200 -1.855 0.000 0.901 343 S HN 0.777 nan 8.310 nan 0.000 0.491 344 Q N 3.342 122.974 119.800 -0.281 0.000 2.167 344 Q HA -0.171 4.170 4.340 0.001 0.000 0.202 344 Q C 1.988 177.921 176.000 -0.111 0.000 0.970 344 Q CA 1.495 57.221 55.803 -0.128 0.000 0.855 344 Q CB -0.119 28.586 28.738 -0.056 0.000 0.911 344 Q HN 0.945 nan 8.270 nan 0.000 0.438 345 Q N -0.423 119.286 119.800 -0.151 0.000 1.965 345 Q HA -0.152 4.188 4.340 0.001 0.000 0.200 345 Q C 1.995 177.937 176.000 -0.097 0.000 0.981 345 Q CA 2.187 57.941 55.803 -0.082 0.000 0.834 345 Q CB -0.066 28.641 28.738 -0.051 0.000 0.900 345 Q HN 0.533 nan 8.270 nan 0.000 0.426 346 T N -4.120 110.321 114.554 -0.188 0.000 3.054 346 T HA 0.212 4.562 4.350 0.001 0.000 0.259 346 T C 1.326 175.956 174.700 -0.116 0.000 1.092 346 T CA 0.994 63.017 62.100 -0.130 0.000 1.121 346 T CB 0.382 69.173 68.868 -0.128 0.000 0.912 346 T HN 0.616 nan 8.240 nan 0.000 0.489 347 G N 1.240 109.936 108.800 -0.173 0.000 2.199 347 G HA2 -0.208 3.753 3.960 0.001 0.000 0.254 347 G HA3 -0.208 3.753 3.960 0.001 0.000 0.254 347 G C -0.150 174.713 174.900 -0.061 0.000 0.982 347 G CA 0.184 45.228 45.100 -0.093 0.000 0.632 347 G HN 0.612 nan 8.290 nan 0.000 0.529 348 D N 0.181 120.520 120.400 -0.101 0.000 2.371 348 D HA 0.512 5.153 4.640 0.001 0.000 0.242 348 D C 0.866 177.266 176.300 0.167 0.000 1.218 348 D CA 0.158 54.194 54.000 0.059 0.000 0.945 348 D CB 0.550 41.450 40.800 0.166 0.000 1.137 348 D HN 0.353 nan 8.370 nan 0.000 0.464 349 R N 0.812 121.512 120.500 0.335 0.000 2.686 349 R HA 0.395 4.735 4.340 0.001 0.000 0.286 349 R C -0.690 175.833 176.300 0.370 0.000 0.969 349 R CA -0.828 55.510 56.100 0.398 0.000 0.898 349 R CB 1.489 31.949 30.300 0.266 0.000 1.183 349 R HN 0.303 nan 8.270 nan 0.000 0.456 350 N N 1.716 120.602 118.700 0.311 0.000 2.314 350 N HA 0.337 5.078 4.740 0.001 0.000 0.304 350 N C -1.266 174.296 175.510 0.086 0.000 1.073 350 N CA -0.743 52.338 53.050 0.051 0.000 0.822 350 N CB 1.782 40.109 38.487 -0.267 0.000 1.280 350 N HN 0.637 nan 8.380 nan 0.000 0.489 351 N N -0.330 118.419 118.700 0.082 0.000 2.494 351 N HA 0.457 5.198 4.740 0.001 0.000 0.270 351 N C -1.562 174.014 175.510 0.110 0.000 1.285 351 N CA -0.801 52.283 53.050 0.058 0.000 0.812 351 N CB 2.127 40.689 38.487 0.125 0.000 1.557 351 N HN 0.464 nan 8.380 nan 0.000 0.487 352 Q N 0.005 119.846 119.800 0.068 0.000 2.426 352 Q HA 0.397 4.737 4.340 0.001 0.000 0.278 352 Q C -2.103 174.050 176.000 0.254 0.000 1.007 352 Q CA -0.888 55.013 55.803 0.164 0.000 0.850 352 Q CB 1.726 30.541 28.738 0.129 0.000 1.427 352 Q HN 0.774 nan 8.270 nan 0.000 0.391 353 Y N 0.385 120.808 120.300 0.204 0.000 2.421 353 Y HA 0.716 5.267 4.550 0.001 0.000 0.339 353 Y C -1.675 174.308 175.900 0.138 0.000 0.996 353 Y CA -0.925 57.304 58.100 0.215 0.000 1.046 353 Y CB 1.338 39.973 38.460 0.291 0.000 1.226 353 Y HN 0.644 nan 8.280 nan 0.000 0.445 354 K N 4.424 124.983 120.400 0.265 0.000 2.316 354 K HA 0.766 5.086 4.320 0.001 0.000 0.251 354 K C -1.835 174.932 176.600 0.277 0.000 0.934 354 K CA -0.659 55.745 56.287 0.196 0.000 0.802 354 K CB 1.912 34.541 32.500 0.216 0.000 1.171 354 K HN 0.670 nan 8.250 nan 0.000 0.426 355 I N 2.800 123.566 120.570 0.328 0.000 2.406 355 I HA 0.354 4.525 4.170 0.001 0.000 0.290 355 I C -0.734 175.568 176.117 0.308 0.000 0.999 355 I CA -0.604 60.882 61.300 0.310 0.000 1.124 355 I CB 1.400 39.610 38.000 0.350 0.000 1.289 355 I HN 0.771 nan 8.210 nan 0.000 0.441 356 T N 6.771 121.480 114.554 0.258 0.000 2.848 356 T HA 0.526 4.877 4.350 0.001 0.000 0.285 356 T C -0.656 174.194 174.700 0.250 0.000 0.995 356 T CA -0.508 61.759 62.100 0.278 0.000 0.970 356 T CB 2.131 71.141 68.868 0.235 0.000 0.976 356 T HN 0.316 nan 8.240 nan 0.000 0.441 357 L N 3.190 124.584 121.223 0.284 0.000 2.349 357 L HA 0.861 5.201 4.340 0.001 0.000 0.278 357 L C -1.101 175.942 176.870 0.287 0.000 0.996 357 L CA -0.551 54.435 54.840 0.243 0.000 0.825 357 L CB 0.960 43.143 42.059 0.206 0.000 1.243 357 L HN 0.861 nan 8.230 nan 0.000 0.412 358 A N 4.391 127.359 122.820 0.247 0.000 2.449 358 A HA 0.651 4.971 4.320 0.001 0.000 0.302 358 A C -1.206 176.477 177.584 0.166 0.000 1.048 358 A CA -0.553 51.643 52.037 0.265 0.000 0.708 358 A CB 1.969 21.147 19.000 0.298 0.000 1.274 358 A HN 0.629 nan 8.150 nan 0.000 0.410 359 Q N 0.887 120.764 119.800 0.128 0.000 2.241 359 Q HA 0.582 4.923 4.340 0.001 0.000 0.254 359 Q C -0.553 175.365 176.000 -0.136 0.000 0.917 359 Q CA 0.039 55.809 55.803 -0.055 0.000 0.919 359 Q CB 1.178 29.859 28.738 -0.095 0.000 1.237 359 Q HN 0.756 nan 8.270 nan 0.000 0.434 360 Q N 3.370 122.966 119.800 -0.341 0.000 2.379 360 Q HA 0.425 4.765 4.340 0.001 0.000 0.278 360 Q C -1.602 174.161 176.000 -0.396 0.000 1.068 360 Q CA -0.596 55.089 55.803 -0.196 0.000 0.816 360 Q CB 1.295 30.034 28.738 0.002 0.000 1.387 360 Q HN 0.681 nan 8.270 nan 0.000 0.413 361 W N 4.602 125.945 121.300 0.071 0.000 2.471 361 W HA 0.351 5.011 4.660 0.001 0.000 0.318 361 W C -0.340 176.199 176.519 0.035 0.000 1.034 361 W CA -0.510 56.866 57.345 0.051 0.000 1.224 361 W CB 2.010 31.494 29.460 0.040 0.000 1.335 361 W HN 0.647 nan 8.180 nan 0.000 0.452 362 Q N 1.268 121.176 119.800 0.181 0.000 2.456 362 Q HA 0.605 4.945 4.340 0.001 0.000 0.283 362 Q C -1.078 174.976 176.000 0.091 0.000 1.084 362 Q CA -0.855 55.014 55.803 0.110 0.000 0.801 362 Q CB 1.767 30.538 28.738 0.054 0.000 1.434 362 Q HN 0.421 nan 8.270 nan 0.000 0.419 363 A N 0.925 123.785 122.820 0.067 0.000 3.026 363 A HA 0.611 4.931 4.320 0.001 0.000 0.272 363 A C 0.549 178.172 177.584 0.065 0.000 1.782 363 A CA 0.680 52.755 52.037 0.064 0.000 1.451 363 A CB -1.357 17.674 19.000 0.053 0.000 1.081 363 A HN 1.321 nan 8.150 nan 0.000 0.611 364 G N 0.844 109.682 108.800 0.064 0.000 2.339 364 G HA2 0.267 4.228 3.960 0.001 0.000 0.381 364 G HA3 0.267 4.228 3.960 0.001 0.000 0.381 364 G C -0.580 174.349 174.900 0.048 0.000 1.400 364 G CA -0.040 45.098 45.100 0.063 0.000 1.002 364 G HN 0.636 nan 8.290 nan 0.000 0.633 365 D N -0.859 119.566 120.400 0.041 0.000 2.525 365 D HA 0.415 5.056 4.640 0.001 0.000 0.229 365 D C 0.616 176.931 176.300 0.024 0.000 1.202 365 D CA 0.283 54.290 54.000 0.012 0.000 0.828 365 D CB 0.753 41.548 40.800 -0.008 0.000 1.008 365 D HN 0.490 nan 8.370 nan 0.000 0.493 366 S N -0.218 115.522 115.700 0.066 0.000 2.621 366 S HA 0.415 4.885 4.470 0.001 0.000 0.302 366 S C 0.810 175.452 174.600 0.070 0.000 1.093 366 S CA -0.863 57.399 58.200 0.104 0.000 1.017 366 S CB 1.271 64.596 63.200 0.208 0.000 1.077 366 S HN 0.206 nan 8.310 nan 0.000 0.517 367 I N 2.213 122.790 120.570 0.011 0.000 2.756 367 I HA 0.033 4.203 4.170 0.001 0.000 0.262 367 I C 0.417 176.447 176.117 -0.144 0.000 1.225 367 I CA 1.012 62.243 61.300 -0.115 0.000 1.472 367 I CB 0.097 37.963 38.000 -0.224 0.000 1.094 367 I HN 0.765 nan 8.210 nan 0.000 0.454 368 W N 0.239 121.602 121.300 0.106 0.000 3.278 368 W HA 0.203 4.863 4.660 0.001 0.000 0.308 368 W C 1.218 177.837 176.519 0.166 0.000 1.253 368 W CA -0.492 56.966 57.345 0.189 0.000 1.759 368 W CB 0.089 29.679 29.460 0.217 0.000 1.093 368 W HN -0.118 nan 8.180 nan 0.000 0.648 369 S N 2.171 118.025 115.700 0.255 0.000 2.533 369 S HA 0.319 4.790 4.470 0.001 0.000 0.282 369 S C 0.277 174.859 174.600 -0.029 0.000 1.304 369 S CA -0.134 58.149 58.200 0.138 0.000 1.063 369 S CB 0.422 63.681 63.200 0.099 0.000 0.881 369 S HN -0.003 nan 8.310 nan 0.000 0.493 370 R N 2.411 122.842 120.500 -0.114 0.000 2.771 370 R HA 0.528 4.868 4.340 0.001 0.000 0.274 370 R C -2.744 173.493 176.300 -0.106 0.000 0.987 370 R CA -2.158 53.770 56.100 -0.287 0.000 0.908 370 R CB 0.691 30.477 30.300 -0.855 0.000 1.213 370 R HN 0.387 nan 8.270 nan 0.000 0.468 371 P HA 0.330 nan 4.420 nan 0.000 0.271 371 P C -1.107 176.162 177.300 -0.050 0.000 1.244 371 P CA -0.349 62.697 63.100 -0.090 0.000 0.793 371 P CB 0.730 32.404 31.700 -0.043 0.000 0.984 372 A N 0.952 123.755 122.820 -0.027 0.000 2.488 372 A HA 0.669 4.989 4.320 0.001 0.000 0.298 372 A C -0.950 176.695 177.584 0.103 0.000 1.044 372 A CA -0.659 51.407 52.037 0.048 0.000 0.693 372 A CB 0.991 20.001 19.000 0.017 0.000 1.272 372 A HN 0.411 nan 8.150 nan 0.000 0.402 373 I N 1.801 122.492 120.570 0.201 0.000 2.406 373 I HA 0.514 4.684 4.170 0.001 0.000 0.290 373 I C -0.018 176.320 176.117 0.369 0.000 0.999 373 I CA -0.401 61.043 61.300 0.239 0.000 1.124 373 I CB 1.981 40.101 38.000 0.200 0.000 1.289 373 I HN 0.731 nan 8.210 nan 0.000 0.441 374 R N 6.686 127.385 120.500 0.330 0.000 2.803 374 R HA 0.759 5.100 4.340 0.001 0.000 0.276 374 R C -1.006 175.543 176.300 0.415 0.000 0.978 374 R CA -0.833 55.494 56.100 0.379 0.000 0.939 374 R CB 2.561 33.071 30.300 0.349 0.000 1.179 374 R HN 0.579 nan 8.270 nan 0.000 0.472 375 I N -0.375 120.436 120.570 0.402 0.000 2.466 375 I HA 0.652 4.822 4.170 0.001 0.000 0.289 375 I C -0.914 175.397 176.117 0.324 0.000 1.026 375 I CA -0.888 60.590 61.300 0.298 0.000 1.078 375 I CB 1.276 39.450 38.000 0.290 0.000 1.249 375 I HN 0.560 nan 8.210 nan 0.000 0.429 376 F N 3.766 123.888 119.950 0.288 0.000 2.675 376 F HA 1.005 5.533 4.527 0.001 0.000 0.324 376 F C -0.997 175.026 175.800 0.371 0.000 1.106 376 F CA -1.280 56.891 58.000 0.285 0.000 0.970 376 F CB 1.574 40.728 39.000 0.257 0.000 1.385 376 F HN 0.664 nan 8.300 nan 0.000 0.489 377 A N 0.907 124.101 122.820 0.624 0.000 2.408 377 A HA 0.722 5.043 4.320 0.001 0.000 0.295 377 A C -1.252 176.737 177.584 0.675 0.000 1.040 377 A CA -0.563 51.854 52.037 0.634 0.000 0.707 377 A CB 1.298 20.565 19.000 0.445 0.000 1.235 377 A HN 0.837 nan 8.150 nan 0.000 0.418 378 T N 1.686 116.694 114.554 0.757 0.000 2.863 378 T HA 0.611 4.961 4.350 0.001 0.000 0.285 378 T C -1.558 173.535 174.700 0.655 0.000 1.009 378 T CA -0.136 62.340 62.100 0.628 0.000 0.989 378 T CB 1.066 70.288 68.868 0.590 0.000 1.004 378 T HN 0.622 nan 8.240 nan 0.000 0.455 379 Y N 1.795 122.308 120.300 0.354 0.000 2.406 379 Y HA 0.685 5.235 4.550 0.001 0.000 0.340 379 Y C -1.165 174.772 175.900 0.061 0.000 0.975 379 Y CA -0.977 57.260 58.100 0.228 0.000 1.056 379 Y CB 1.202 39.762 38.460 0.167 0.000 1.210 379 Y HN 0.804 nan 8.280 nan 0.000 0.448 380 A N 5.407 127.715 122.820 -0.854 0.000 2.422 380 A HA 0.729 5.049 4.320 0.001 0.000 0.302 380 A C -1.794 175.200 177.584 -0.985 0.000 1.041 380 A CA -0.888 50.693 52.037 -0.759 0.000 0.708 380 A CB 1.483 20.116 19.000 -0.612 0.000 1.257 380 A HN 0.605 nan 8.150 nan 0.000 0.414 381 K N 1.668 121.537 120.400 -0.884 0.000 2.397 381 K HA 0.712 5.033 4.320 0.001 0.000 0.253 381 K C -1.481 174.921 176.600 -0.330 0.000 0.932 381 K CA -0.371 55.431 56.287 -0.808 0.000 0.795 381 K CB 0.881 32.873 32.500 -0.846 0.000 1.159 381 K HN 0.879 nan 8.250 nan 0.000 0.424 382 W N 1.579 122.716 121.300 -0.272 0.000 3.033 382 W HA 0.616 5.277 4.660 0.001 0.000 0.336 382 W C -1.355 175.121 176.519 -0.071 0.000 1.173 382 W CA -0.839 56.421 57.345 -0.142 0.000 1.185 382 W CB 1.200 30.580 29.460 -0.134 0.000 1.425 382 W HN 0.553 nan 8.180 nan 0.000 0.536 383 D N 1.303 121.825 120.400 0.203 0.000 2.336 383 D HA 0.216 4.856 4.640 0.001 0.000 0.248 383 D C -1.299 175.086 176.300 0.141 0.000 1.326 383 D CA -0.230 53.846 54.000 0.126 0.000 0.973 383 D CB 0.900 41.757 40.800 0.094 0.000 1.255 383 D HN 0.501 nan 8.370 nan 0.000 0.558 384 E N 3.054 123.337 120.200 0.139 0.000 2.109 384 E HA 0.237 4.587 4.350 0.001 0.000 0.278 384 E C 0.568 177.182 176.600 0.023 0.000 0.954 384 E CA -0.758 55.649 56.400 0.012 0.000 0.779 384 E CB 1.832 31.480 29.700 -0.086 0.000 1.093 384 E HN 0.188 nan 8.360 nan 0.000 0.401 385 K N 2.263 122.702 120.400 0.066 0.000 2.361 385 K HA 0.063 4.383 4.320 0.001 0.000 0.196 385 K C 0.385 177.115 176.600 0.218 0.000 1.039 385 K CA 0.499 56.874 56.287 0.147 0.000 1.001 385 K CB 0.446 33.066 32.500 0.199 0.000 0.795 385 K HN 0.599 nan 8.250 nan 0.000 0.495 386 W N -0.587 120.710 121.300 -0.005 0.000 3.040 386 W HA 0.663 5.323 4.660 0.001 0.000 0.344 386 W C -0.706 175.762 176.519 -0.085 0.000 1.201 386 W CA -1.063 56.256 57.345 -0.044 0.000 1.119 386 W CB 0.710 30.128 29.460 -0.070 0.000 1.478 386 W HN -0.068 nan 8.180 nan 0.000 0.586 387 G N -0.012 108.865 108.800 0.127 0.000 2.601 387 G HA2 0.489 4.449 3.960 0.001 0.000 0.291 387 G HA3 0.489 4.449 3.960 0.001 0.000 0.291 387 G C -2.698 172.238 174.900 0.060 0.000 1.456 387 G CA -1.052 43.949 45.100 -0.166 0.000 0.804 387 G HN 0.422 nan 8.290 nan 0.000 0.499 388 Y N 0.301 120.708 120.300 0.178 0.000 2.359 388 Y HA 0.353 4.903 4.550 0.001 0.000 0.330 388 Y C 1.488 177.475 175.900 0.144 0.000 1.143 388 Y CA -0.174 58.051 58.100 0.209 0.000 1.318 388 Y CB 0.818 39.367 38.460 0.149 0.000 1.234 388 Y HN 0.276 nan 8.280 nan 0.000 0.522 389 I N 4.061 124.816 120.570 0.308 0.000 2.664 389 I HA -0.083 4.088 4.170 0.001 0.000 0.284 389 I C 0.376 176.599 176.117 0.176 0.000 1.154 389 I CA 0.307 61.732 61.300 0.208 0.000 1.402 389 I CB 0.145 38.265 38.000 0.199 0.000 1.395 389 I HN 0.456 nan 8.210 nan 0.000 0.545 390 K N 5.988 126.464 120.400 0.127 0.000 2.262 390 K HA 0.043 4.364 4.320 0.001 0.000 0.288 390 K C -0.004 176.641 176.600 0.075 0.000 1.090 390 K CA -0.367 55.976 56.287 0.094 0.000 0.918 390 K CB 0.184 32.727 32.500 0.072 0.000 1.139 390 K HN 0.425 nan 8.250 nan 0.000 0.462 391 D N 4.165 124.609 120.400 0.074 0.000 2.801 391 D HA 0.142 4.782 4.640 0.001 0.000 0.232 391 D C -0.022 176.304 176.300 0.044 0.000 1.128 391 D CA 0.491 54.526 54.000 0.058 0.000 1.003 391 D CB -0.359 40.479 40.800 0.063 0.000 1.110 391 D HN 0.751 nan 8.370 nan 0.000 0.477 392 G N 3.287 112.111 108.800 0.040 0.000 2.402 392 G HA2 -0.293 3.668 3.960 0.001 0.000 0.241 392 G HA3 -0.293 3.668 3.960 0.001 0.000 0.241 392 G C 0.630 175.548 174.900 0.029 0.000 0.871 392 G CA 0.506 45.625 45.100 0.032 0.000 1.232 392 G HN 0.693 nan 8.290 nan 0.000 0.369 393 D N -0.405 120.012 120.400 0.027 0.000 2.304 393 D HA -0.217 4.423 4.640 0.001 0.000 0.162 393 D C 0.563 176.875 176.300 0.019 0.000 1.458 393 D CA 2.283 56.295 54.000 0.020 0.000 1.334 393 D CB -1.106 39.704 40.800 0.017 0.000 1.250 393 D HN 0.741 nan 8.370 nan 0.000 0.458 394 N N 0.502 119.218 118.700 0.026 0.000 2.438 394 N HA 0.404 5.145 4.740 0.001 0.000 0.282 394 N C -0.572 174.959 175.510 0.036 0.000 1.037 394 N CA -0.318 52.747 53.050 0.025 0.000 0.942 394 N CB 1.252 39.757 38.487 0.030 0.000 1.136 394 N HN 0.133 nan 8.380 nan 0.000 0.481 395 I N 0.910 121.493 120.570 0.022 0.000 2.353 395 I HA 0.093 4.264 4.170 0.001 0.000 0.293 395 I C 0.987 177.124 176.117 0.033 0.000 0.992 395 I CA 0.036 61.358 61.300 0.036 0.000 1.268 395 I CB 1.293 39.291 38.000 -0.003 0.000 1.387 395 I HN 0.379 nan 8.210 nan 0.000 0.478 396 S N 4.909 120.672 115.700 0.106 0.000 2.707 396 S HA 0.422 4.893 4.470 0.001 0.000 0.276 396 S C 1.256 175.917 174.600 0.103 0.000 1.179 396 S CA -0.398 57.881 58.200 0.131 0.000 0.992 396 S CB 0.813 64.155 63.200 0.237 0.000 1.030 396 S HN 0.612 nan 8.310 nan 0.000 0.554 397 R N -0.163 120.354 120.500 0.029 0.000 2.200 397 R HA 0.097 4.438 4.340 0.001 0.000 0.208 397 R C -0.332 175.979 176.300 0.018 0.000 1.033 397 R CA 0.563 56.611 56.100 -0.086 0.000 1.000 397 R CB -0.105 30.008 30.300 -0.313 0.000 0.906 397 R HN 0.540 nan 8.270 nan 0.000 0.462 398 Y N 0.479 120.921 120.300 0.237 0.000 2.319 398 Y HA 0.345 4.895 4.550 0.001 0.000 0.328 398 Y C 0.606 176.650 175.900 0.240 0.000 1.133 398 Y CA -0.839 57.380 58.100 0.199 0.000 1.265 398 Y CB 0.885 39.413 38.460 0.114 0.000 1.218 398 Y HN 0.009 nan 8.280 nan 0.000 0.508 399 A N 2.037 125.020 122.820 0.270 0.000 2.269 399 A HA 0.956 5.277 4.320 0.001 0.000 0.327 399 A C -0.829 176.849 177.584 0.156 0.000 1.112 399 A CA -0.176 51.956 52.037 0.158 0.000 0.865 399 A CB 0.818 19.766 19.000 -0.087 0.000 1.227 399 A HN 0.918 nan 8.150 nan 0.000 0.498 400 A N -0.419 122.503 122.820 0.170 0.000 2.566 400 A HA 0.721 5.041 4.320 0.001 0.000 0.297 400 A C -0.122 177.559 177.584 0.162 0.000 1.059 400 A CA 0.016 52.134 52.037 0.134 0.000 0.691 400 A CB 0.594 19.665 19.000 0.118 0.000 1.282 400 A HN 2.414 nan 8.150 nan 0.000 0.401 401 A N 1.057 123.955 122.820 0.130 0.000 2.498 401 A HA 0.463 4.783 4.320 0.001 0.000 0.239 401 A C 1.587 179.241 177.584 0.117 0.000 1.068 401 A CA 0.654 52.777 52.037 0.144 0.000 0.766 401 A CB -0.294 18.769 19.000 0.104 0.000 1.003 401 A HN 2.017 nan 8.150 nan 0.000 0.497 402 T N 0.321 114.943 114.554 0.114 0.000 2.759 402 T HA -0.237 4.113 4.350 0.001 0.000 0.269 402 T C 1.343 176.084 174.700 0.069 0.000 1.042 402 T CA 1.678 63.827 62.100 0.081 0.000 1.140 402 T CB -0.611 68.298 68.868 0.070 0.000 0.864 402 T HN 0.852 nan 8.240 nan 0.000 0.455 403 N N 2.860 121.601 118.700 0.069 0.000 2.309 403 N HA -0.071 4.669 4.740 0.001 0.000 0.182 403 N C 0.912 176.452 175.510 0.050 0.000 1.018 403 N CA 0.886 53.969 53.050 0.056 0.000 0.876 403 N CB -1.031 37.487 38.487 0.053 0.000 0.972 403 N HN 0.682 nan 8.380 nan 0.000 0.434 404 S N -1.365 114.368 115.700 0.055 0.000 2.560 404 S HA 0.321 4.792 4.470 0.001 0.000 0.284 404 S C 1.433 176.060 174.600 0.045 0.000 1.327 404 S CA -0.293 57.936 58.200 0.047 0.000 1.055 404 S CB 0.903 64.134 63.200 0.052 0.000 0.868 404 S HN 0.395 nan 8.310 nan 0.000 0.506 405 G N 2.069 110.891 108.800 0.037 0.000 2.615 405 G HA2 0.035 3.995 3.960 0.001 0.000 0.213 405 G HA3 0.035 3.995 3.960 0.001 0.000 0.213 405 G C 0.454 175.377 174.900 0.038 0.000 1.135 405 G CA -0.063 45.058 45.100 0.035 0.000 0.772 405 G HN 0.789 nan 8.290 nan 0.000 0.542 406 I N 0.747 121.343 120.570 0.044 0.000 2.634 406 I HA 0.076 4.247 4.170 0.001 0.000 0.284 406 I C 0.714 176.865 176.117 0.056 0.000 1.124 406 I CA -0.166 61.163 61.300 0.049 0.000 1.417 406 I CB 1.318 39.351 38.000 0.055 0.000 1.396 406 I HN -0.088 nan 8.210 nan 0.000 0.571 407 S N 4.168 119.901 115.700 0.055 0.000 2.455 407 S HA 0.330 4.800 4.470 0.001 0.000 0.278 407 S C -0.033 174.611 174.600 0.073 0.000 1.216 407 S CA -0.565 57.669 58.200 0.057 0.000 1.055 407 S CB -0.135 63.095 63.200 0.049 0.000 0.939 407 S HN 0.750 nan 8.310 nan 0.000 0.494 408 T N 1.807 116.404 114.554 0.072 0.000 2.907 408 T HA 0.432 4.782 4.350 0.001 0.000 0.290 408 T C 0.367 175.103 174.700 0.059 0.000 1.066 408 T CA -1.038 61.113 62.100 0.085 0.000 1.012 408 T CB 0.999 69.920 68.868 0.088 0.000 1.184 408 T HN 0.506 nan 8.240 nan 0.000 0.522 409 N N -0.008 118.729 118.700 0.063 0.000 2.362 409 N HA 0.067 4.807 4.740 0.001 0.000 0.211 409 N C 0.178 175.666 175.510 -0.037 0.000 1.170 409 N CA -0.366 52.699 53.050 0.026 0.000 0.828 409 N CB -0.187 38.331 38.487 0.051 0.000 1.034 409 N HN 0.516 nan 8.380 nan 0.000 0.475 410 S N 0.479 116.150 115.700 -0.047 0.000 2.562 410 S HA 0.186 4.657 4.470 0.001 0.000 0.281 410 S C 0.963 175.539 174.600 -0.039 0.000 1.333 410 S CA -0.495 57.648 58.200 -0.095 0.000 1.052 410 S CB 0.739 63.900 63.200 -0.065 0.000 0.884 410 S HN 0.413 nan 8.310 nan 0.000 0.506 411 R N 2.901 123.371 120.500 -0.050 0.000 2.334 411 R HA 0.290 4.631 4.340 0.001 0.000 0.216 411 R C 1.494 177.964 176.300 0.282 0.000 0.905 411 R CA 0.397 56.528 56.100 0.052 0.000 1.064 411 R CB -0.343 29.832 30.300 -0.209 0.000 1.046 411 R HN 0.935 nan 8.270 nan 0.000 0.508 412 G N 1.460 110.370 108.800 0.184 0.000 2.569 412 G HA2 -0.310 3.651 3.960 0.001 0.000 0.259 412 G HA3 -0.310 3.651 3.960 0.001 0.000 0.259 412 G C -1.041 173.984 174.900 0.208 0.000 1.263 412 G CA 0.001 45.204 45.100 0.172 0.000 0.928 412 G HN 0.340 nan 8.290 nan 0.000 0.572 413 D N 0.411 120.845 120.400 0.057 0.000 2.392 413 D HA 0.670 5.310 4.640 0.001 0.000 0.228 413 D C 0.011 176.132 176.300 -0.299 0.000 1.074 413 D CA 0.665 54.608 54.000 -0.095 0.000 0.838 413 D CB 1.228 41.998 40.800 -0.050 0.000 1.067 413 D HN 0.617 nan 8.370 nan 0.000 0.511 414 S N 2.735 117.940 115.700 -0.826 0.000 2.757 414 S HA 0.503 4.973 4.470 0.001 0.000 0.285 414 S C -1.972 171.764 174.600 -1.439 0.000 1.196 414 S CA -0.609 57.016 58.200 -0.959 0.000 0.856 414 S CB 1.523 64.373 63.200 -0.584 0.000 1.212 414 S HN 0.483 nan 8.310 nan 0.000 0.516 415 D N 0.450 120.213 120.400 -1.061 0.000 2.661 415 D HA 0.790 5.431 4.640 0.001 0.000 0.228 415 D C -1.519 174.505 176.300 -0.460 0.000 1.183 415 D CA 0.039 53.553 54.000 -0.810 0.000 0.844 415 D CB 2.071 42.698 40.800 -0.289 0.000 1.555 415 D HN 0.383 nan 8.370 nan 0.000 0.453 416 E N 0.522 120.525 120.200 -0.329 0.000 2.389 416 E HA 0.501 4.851 4.350 0.001 0.000 0.281 416 E C -1.772 174.933 176.600 0.174 0.000 1.072 416 E CA -0.836 55.585 56.400 0.036 0.000 0.845 416 E CB 0.850 30.657 29.700 0.178 0.000 1.239 416 E HN 0.395 nan 8.360 nan 0.000 0.434 417 W N 2.349 123.788 121.300 0.233 0.000 3.127 417 W HA 0.802 5.462 4.660 0.001 0.000 0.330 417 W C -1.268 175.536 176.519 0.474 0.000 1.187 417 W CA -0.525 57.043 57.345 0.371 0.000 1.198 417 W CB 0.631 30.338 29.460 0.411 0.000 1.408 417 W HN 0.672 nan 8.180 nan 0.000 0.529 418 T N 0.032 114.911 114.554 0.542 0.000 2.838 418 T HA 0.899 5.249 4.350 0.001 0.000 0.292 418 T C -1.084 173.936 174.700 0.533 0.000 1.113 418 T CA -0.623 61.646 62.100 0.282 0.000 1.008 418 T CB 2.571 71.642 68.868 0.337 0.000 1.259 418 T HN 0.955 nan 8.240 nan 0.000 0.520 419 F N -2.437 117.639 119.950 0.210 0.000 2.744 419 F HA 0.860 5.387 4.527 0.001 0.000 0.311 419 F C -0.314 175.356 175.800 -0.217 0.000 1.144 419 F CA -0.334 57.647 58.000 -0.032 0.000 0.938 419 F CB 1.127 40.208 39.000 0.134 0.000 1.292 419 F HN 1.180 nan 8.300 nan 0.000 0.444 420 G N 0.048 108.478 108.800 -0.617 0.000 2.336 420 G HA2 0.695 4.655 3.960 0.001 0.000 0.286 420 G HA3 0.695 4.655 3.960 0.001 0.000 0.286 420 G C -2.297 172.401 174.900 -0.335 0.000 1.269 420 G CA -0.218 44.731 45.100 -0.251 0.000 0.873 420 G HN 1.640 nan 8.290 nan 0.000 0.494 421 A N -0.825 122.013 122.820 0.029 0.000 2.384 421 A HA 0.956 5.277 4.320 0.001 0.000 0.312 421 A C -0.449 177.294 177.584 0.265 0.000 1.113 421 A CA -0.256 51.890 52.037 0.181 0.000 0.779 421 A CB 2.175 21.274 19.000 0.166 0.000 1.307 421 A HN 1.041 nan 8.150 nan 0.000 0.436 422 Q N -0.027 119.947 119.800 0.290 0.000 2.527 422 Q HA 0.553 4.893 4.340 0.001 0.000 0.280 422 Q C -1.939 174.163 176.000 0.169 0.000 0.977 422 Q CA -0.631 55.310 55.803 0.230 0.000 0.837 422 Q CB 1.884 30.796 28.738 0.289 0.000 1.454 422 Q HN 1.031 nan 8.270 nan 0.000 0.387 423 M N 0.479 120.141 119.600 0.102 0.000 2.602 423 M HA 0.713 5.194 4.480 0.001 0.000 0.312 423 M C -1.206 175.109 176.300 0.024 0.000 1.181 423 M CA -0.341 54.995 55.300 0.060 0.000 0.910 423 M CB 2.074 34.688 32.600 0.022 0.000 1.723 423 M HN 0.494 nan 8.290 nan 0.000 0.459 424 E N 2.058 122.246 120.200 -0.021 0.000 2.308 424 E HA 0.784 5.134 4.350 0.001 0.000 0.275 424 E C -2.100 174.390 176.600 -0.183 0.000 0.890 424 E CA -0.800 55.546 56.400 -0.090 0.000 0.754 424 E CB 2.386 32.080 29.700 -0.010 0.000 1.207 424 E HN 0.947 nan 8.360 nan 0.000 0.426 425 I N 3.564 123.991 120.570 -0.238 0.000 2.842 425 I HA 0.580 4.750 4.170 0.001 0.000 0.297 425 I C -2.133 174.035 176.117 0.085 0.000 1.380 425 I CA -0.719 60.489 61.300 -0.154 0.000 1.018 425 I CB 1.246 39.238 38.000 -0.014 0.000 1.311 425 I HN 0.717 nan 8.210 nan 0.000 0.439 426 W N 5.633 127.098 121.300 0.275 0.000 2.957 426 W HA 0.767 5.427 4.660 0.001 0.000 0.336 426 W C -1.786 174.905 176.519 0.286 0.000 1.087 426 W CA -1.125 56.360 57.345 0.234 0.000 1.235 426 W CB -0.329 29.250 29.460 0.199 0.000 1.399 426 W HN 0.667 nan 8.180 nan 0.000 0.480 427 W N 0.000 121.452 121.300 0.253 0.000 2.388 427 W HA 0.000 4.660 4.660 0.001 0.000 0.303 427 W CA 0.000 57.447 57.345 0.171 0.000 1.226 427 W CB 0.000 29.460 29.460 -0.001 0.000 1.126 427 W HN 0.000 nan 8.180 nan 0.000 0.535