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 3dfh_1_C DATA FIRST_RESID 2 DATA SEQUENCE SLKETIISDI HCIITKPDRH NLITVVVETN EGVTGFGCAT FQQRPLAVKT DATA SEQUENCE MVDEYLKPIL IGKNANNIED LWQMMMVNAY WRNGPVINNA ISGVDMALWD DATA SEQUENCE IKAKLAGMPL HQLFGGKSRD AIPVYTHATS DTMEGIYDLV EGFLEKGYKH DATA SEQUENCE IRCQLGFXXX XXXXXXXXXX XXXXXXXDQD QYMDNTLTMF KSLREKYGNQ DATA SEQUENCE FHILHDVHER LFPNQAIQFA KEVEQYKPYF IEDILPPNQT EWLDNIRSQS DATA SEQUENCE SVSLGLGELF NNPEEWKSLI ANRRIDFIRC HVSQIGGITP ALKLGHLCQN DATA SEQUENCE FGVRIAWHCP PDMTPIGAAV NTHLNVHLHN AAIQEHVEYN GNTHKVFPNA DATA SEQUENCE AEPINGYLYA SEIAGIGVEI DREAAAEFP 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.597 174.600 -0.005 0.000 1.055 2 S CA 0.000 58.199 58.200 -0.003 0.000 1.107 2 S CB 0.000 63.200 63.200 -0.001 0.000 0.593 3 L N 3.990 125.209 121.223 -0.007 0.000 2.326 3 L HA 0.696 5.035 4.340 -0.000 0.000 0.278 3 L C -0.103 176.759 176.870 -0.013 0.000 1.092 3 L CA 0.043 54.876 54.840 -0.012 0.000 0.810 3 L CB 0.833 42.882 42.059 -0.016 0.000 1.153 3 L HN 0.320 nan 8.230 nan 0.000 0.439 4 K N 3.164 123.556 120.400 -0.014 0.000 2.185 4 K HA 0.426 4.746 4.320 -0.000 0.000 0.240 4 K C -0.629 175.960 176.600 -0.018 0.000 0.983 4 K CA -0.825 55.454 56.287 -0.014 0.000 0.873 4 K CB 0.853 33.347 32.500 -0.011 0.000 1.118 4 K HN 0.565 nan 8.250 nan 0.000 0.441 5 E N 1.087 121.276 120.200 -0.018 0.000 2.653 5 E HA -0.052 4.297 4.350 -0.000 0.000 0.264 5 E C -0.625 175.961 176.600 -0.024 0.000 0.949 5 E CA 0.791 57.178 56.400 -0.022 0.000 0.953 5 E CB 0.258 29.947 29.700 -0.019 0.000 0.925 5 E HN 0.341 nan 8.360 nan 0.000 0.475 6 T N 4.414 118.949 114.554 -0.031 0.000 2.801 6 T HA 0.291 4.641 4.350 -0.000 0.000 0.306 6 T C -0.081 174.599 174.700 -0.033 0.000 1.020 6 T CA -0.654 61.426 62.100 -0.033 0.000 0.948 6 T CB 0.234 69.077 68.868 -0.041 0.000 0.962 6 T HN 0.216 nan 8.240 nan 0.000 0.465 7 I N 4.259 124.812 120.570 -0.028 0.000 2.315 7 I HA 0.321 4.491 4.170 -0.000 0.000 0.291 7 I C 0.625 176.723 176.117 -0.032 0.000 1.006 7 I CA -0.947 60.337 61.300 -0.027 0.000 1.265 7 I CB 0.809 38.796 38.000 -0.022 0.000 1.387 7 I HN 0.576 nan 8.210 nan 0.000 0.475 8 I N 5.964 126.512 120.570 -0.035 0.000 2.505 8 I HA -0.052 4.118 4.170 -0.000 0.000 0.287 8 I C 1.482 177.574 176.117 -0.043 0.000 1.104 8 I CA 0.295 61.569 61.300 -0.043 0.000 1.387 8 I CB 0.729 38.703 38.000 -0.044 0.000 1.404 8 I HN 0.723 nan 8.210 nan 0.000 0.528 9 S N 3.058 118.730 115.700 -0.046 0.000 2.483 9 S HA 0.141 4.611 4.470 -0.000 0.000 0.221 9 S C 0.296 174.859 174.600 -0.063 0.000 1.030 9 S CA -0.091 58.084 58.200 -0.042 0.000 0.925 9 S CB 0.391 63.575 63.200 -0.028 0.000 0.795 9 S HN 0.707 nan 8.310 nan 0.000 0.511 10 D N -0.716 119.626 120.400 -0.097 0.000 2.653 10 D HA 0.564 5.204 4.640 -0.000 0.000 0.258 10 D C -1.938 174.209 176.300 -0.255 0.000 1.252 10 D CA -0.562 53.331 54.000 -0.179 0.000 0.777 10 D CB 1.669 42.364 40.800 -0.176 0.000 1.339 10 D HN 0.220 nan 8.370 nan 0.000 0.422 11 I N 2.158 122.490 120.570 -0.397 0.000 2.571 11 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 11 I C -0.773 175.039 176.117 -0.507 0.000 1.115 11 I CA -0.682 60.416 61.300 -0.337 0.000 1.045 11 I CB 2.017 39.925 38.000 -0.154 0.000 1.238 11 I HN 0.263 nan 8.210 nan 0.000 0.424 12 H N 3.570 122.634 119.070 -0.009 0.000 2.731 12 H HA 0.482 5.038 4.556 -0.000 0.000 0.368 12 H C -1.154 174.195 175.328 0.034 0.000 1.168 12 H CA -0.758 55.297 56.048 0.012 0.000 1.181 12 H CB 2.757 32.528 29.762 0.015 0.000 1.743 12 H HN 0.551 nan 8.280 nan 0.000 0.547 13 C N 3.874 123.284 119.300 0.183 0.000 2.547 13 C HA 0.465 4.925 4.460 -0.000 0.000 0.327 13 C C -0.423 174.648 174.990 0.134 0.000 1.076 13 C CA -0.519 58.583 59.018 0.139 0.000 1.390 13 C CB -1.686 26.116 27.740 0.103 0.000 1.918 13 C HN 0.589 nan 8.230 nan 0.000 0.438 14 I N 7.021 127.677 120.570 0.144 0.000 2.315 14 I HA 0.417 4.587 4.170 -0.000 0.000 0.291 14 I C 0.075 176.272 176.117 0.134 0.000 1.006 14 I CA -0.140 61.232 61.300 0.121 0.000 1.265 14 I CB 0.952 39.015 38.000 0.106 0.000 1.387 14 I HN 0.455 nan 8.210 nan 0.000 0.475 15 I N 5.713 126.352 120.570 0.114 0.000 2.428 15 I HA 0.482 4.652 4.170 -0.000 0.000 0.296 15 I C -0.122 176.070 176.117 0.124 0.000 0.985 15 I CA -0.103 61.270 61.300 0.123 0.000 1.260 15 I CB 1.840 39.901 38.000 0.100 0.000 1.389 15 I HN 0.570 nan 8.210 nan 0.000 0.484 16 T N 4.410 119.054 114.554 0.150 0.000 2.932 16 T HA 0.295 4.645 4.350 -0.000 0.000 0.318 16 T C -0.590 174.205 174.700 0.159 0.000 1.265 16 T CA -0.898 61.299 62.100 0.162 0.000 1.036 16 T CB 2.170 71.140 68.868 0.171 0.000 1.209 16 T HN 0.499 nan 8.240 nan 0.000 0.484 17 K N 2.442 122.938 120.400 0.160 0.000 2.954 17 K HA 0.291 4.611 4.320 -0.000 0.000 0.171 17 K C -1.981 174.648 176.600 0.047 0.000 1.079 17 K CA -2.132 54.219 56.287 0.107 0.000 0.908 17 K CB 0.827 33.385 32.500 0.097 0.000 1.142 17 K HN 0.233 nan 8.250 nan 0.000 0.613 18 P HA -0.071 nan 4.420 nan 0.000 0.225 18 P C -0.006 177.129 177.300 -0.275 0.000 1.156 18 P CA 0.878 63.653 63.100 -0.541 0.000 0.787 18 P CB 0.500 31.865 31.700 -0.558 0.000 0.802 19 D N -1.917 118.427 120.400 -0.092 0.000 3.543 19 D HA 0.135 4.775 4.640 -0.000 0.000 0.249 19 D C 1.377 177.644 176.300 -0.055 0.000 1.444 19 D CA -0.587 53.385 54.000 -0.047 0.000 1.032 19 D CB 0.291 41.095 40.800 0.006 0.000 1.283 19 D HN -0.423 nan 8.370 nan 0.000 0.639 20 R N -0.596 119.840 120.500 -0.105 0.000 2.081 20 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 20 R C 0.124 176.184 176.300 -0.399 0.000 1.131 20 R CA 1.355 57.253 56.100 -0.336 0.000 0.960 20 R CB -0.670 29.265 30.300 -0.607 0.000 0.856 20 R HN 0.443 nan 8.270 nan 0.000 0.436 21 H N -1.042 118.036 119.070 0.012 0.000 2.573 21 H HA 0.289 4.845 4.556 -0.000 0.000 0.351 21 H C -0.582 174.769 175.328 0.039 0.000 1.163 21 H CA -0.780 55.281 56.048 0.021 0.000 1.205 21 H CB 0.762 30.537 29.762 0.020 0.000 1.605 21 H HN -0.008 nan 8.280 nan 0.000 0.525 22 N N 1.371 120.171 118.700 0.166 0.000 2.475 22 N HA 0.169 4.909 4.740 -0.000 0.000 0.267 22 N C -0.930 174.669 175.510 0.149 0.000 1.169 22 N CA -0.129 53.001 53.050 0.133 0.000 0.947 22 N CB 0.615 39.160 38.487 0.097 0.000 1.061 22 N HN 0.246 nan 8.380 nan 0.000 0.466 23 L N 3.610 124.927 121.223 0.157 0.000 2.307 23 L HA 0.535 4.875 4.340 -0.000 0.000 0.284 23 L C -0.500 176.479 176.870 0.182 0.000 1.023 23 L CA -0.768 54.170 54.840 0.163 0.000 0.810 23 L CB 1.169 43.357 42.059 0.214 0.000 1.231 23 L HN 0.407 nan 8.230 nan 0.000 0.423 24 I N 2.209 122.875 120.570 0.160 0.000 2.389 24 I HA 0.339 4.509 4.170 -0.000 0.000 0.288 24 I C -0.233 175.994 176.117 0.184 0.000 0.999 24 I CA -0.067 61.332 61.300 0.165 0.000 1.129 24 I CB 1.994 40.081 38.000 0.144 0.000 1.288 24 I HN 0.501 nan 8.210 nan 0.000 0.444 25 T N 5.478 120.164 114.554 0.220 0.000 2.797 25 T HA 0.530 4.880 4.350 -0.000 0.000 0.279 25 T C -0.188 174.639 174.700 0.212 0.000 0.991 25 T CA -0.526 61.725 62.100 0.253 0.000 0.979 25 T CB 1.873 70.949 68.868 0.347 0.000 0.943 25 T HN 0.139 nan 8.240 nan 0.000 0.444 26 V N 3.630 123.659 119.914 0.192 0.000 2.472 26 V HA 0.511 4.631 4.120 -0.000 0.000 0.290 26 V C -0.214 175.951 176.094 0.119 0.000 1.037 26 V CA -0.674 61.712 62.300 0.142 0.000 0.908 26 V CB 1.785 33.674 31.823 0.111 0.000 0.985 26 V HN 0.697 nan 8.190 nan 0.000 0.454 27 V N 5.277 125.233 119.914 0.071 0.000 2.407 27 V HA 0.416 4.536 4.120 -0.000 0.000 0.291 27 V C -0.289 175.745 176.094 -0.100 0.000 1.018 27 V CA -0.582 61.679 62.300 -0.065 0.000 0.842 27 V CB 1.848 33.693 31.823 0.038 0.000 0.996 27 V HN 0.594 nan 8.190 nan 0.000 0.426 28 V N 5.080 124.888 119.914 -0.176 0.000 2.347 28 V HA 0.416 4.536 4.120 -0.000 0.000 0.280 28 V C 0.136 176.137 176.094 -0.154 0.000 1.021 28 V CA -0.517 61.702 62.300 -0.134 0.000 0.847 28 V CB 1.365 33.134 31.823 -0.090 0.000 0.990 28 V HN 0.908 nan 8.190 nan 0.000 0.444 29 E N 2.604 122.738 120.200 -0.111 0.000 2.222 29 E HA 0.708 5.058 4.350 -0.000 0.000 0.272 29 E C -0.176 176.388 176.600 -0.061 0.000 0.982 29 E CA -0.538 55.817 56.400 -0.076 0.000 0.842 29 E CB 2.162 31.847 29.700 -0.024 0.000 1.144 29 E HN 0.817 nan 8.360 nan 0.000 0.397 30 T N -1.807 112.721 114.554 -0.043 0.000 2.865 30 T HA 0.256 4.606 4.350 -0.000 0.000 0.294 30 T C 0.419 175.106 174.700 -0.021 0.000 1.119 30 T CA -0.792 61.287 62.100 -0.035 0.000 1.007 30 T CB 1.104 69.950 68.868 -0.036 0.000 1.225 30 T HN 0.429 nan 8.240 nan 0.000 0.515 31 N N 0.458 119.147 118.700 -0.019 0.000 2.166 31 N HA -0.124 4.616 4.740 -0.000 0.000 0.186 31 N C 1.427 176.932 175.510 -0.007 0.000 1.019 31 N CA 1.090 54.133 53.050 -0.012 0.000 0.856 31 N CB -0.010 38.470 38.487 -0.012 0.000 0.993 31 N HN 0.700 nan 8.380 nan 0.000 0.426 32 E N 0.424 120.619 120.200 -0.009 0.000 2.472 32 E HA -0.054 4.295 4.350 -0.000 0.000 0.200 32 E C 1.242 177.842 176.600 0.000 0.000 1.046 32 E CA 0.745 57.142 56.400 -0.005 0.000 0.871 32 E CB -0.334 29.361 29.700 -0.008 0.000 0.806 32 E HN 0.419 nan 8.360 nan 0.000 0.533 33 G N 1.044 109.843 108.800 -0.001 0.000 2.160 33 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.251 33 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.251 33 G C 0.176 175.082 174.900 0.009 0.000 1.008 33 G CA 0.371 45.475 45.100 0.006 0.000 0.724 33 G HN 0.215 nan 8.290 nan 0.000 0.514 34 V N 1.351 121.264 119.914 -0.001 0.000 2.364 34 V HA 0.561 4.681 4.120 -0.000 0.000 0.272 34 V C 0.647 176.729 176.094 -0.020 0.000 1.036 34 V CA 0.116 62.418 62.300 0.003 0.000 0.880 34 V CB 1.416 33.237 31.823 -0.002 0.000 0.991 34 V HN 0.322 nan 8.190 nan 0.000 0.460 35 T N 4.015 118.558 114.554 -0.017 0.000 2.824 35 T HA 0.642 4.992 4.350 -0.000 0.000 0.280 35 T C 0.402 174.986 174.700 -0.194 0.000 0.995 35 T CA -0.352 61.669 62.100 -0.131 0.000 1.009 35 T CB 1.647 70.419 68.868 -0.158 0.000 0.955 35 T HN 0.868 nan 8.240 nan 0.000 0.452 36 G N 1.533 110.147 108.800 -0.310 0.000 2.400 36 G HA2 0.700 4.659 3.960 -0.000 0.000 0.333 36 G HA3 0.700 4.659 3.960 -0.000 0.000 0.333 36 G C -1.340 173.287 174.900 -0.456 0.000 1.143 36 G CA -0.604 44.367 45.100 -0.214 0.000 0.914 36 G HN 0.563 nan 8.290 nan 0.000 0.480 37 F N 0.307 120.311 119.950 0.092 0.000 2.520 37 F HA 0.725 5.252 4.527 -0.000 0.000 0.322 37 F C 0.665 176.533 175.800 0.113 0.000 1.103 37 F CA -0.563 57.502 58.000 0.108 0.000 0.926 37 F CB 2.922 41.993 39.000 0.117 0.000 1.154 37 F HN 0.721 nan 8.300 nan 0.000 0.453 38 G N 0.217 109.179 108.800 0.271 0.000 2.672 38 G HA2 0.506 4.466 3.960 -0.000 0.000 0.292 38 G HA3 0.506 4.466 3.960 -0.000 0.000 0.292 38 G C -2.195 172.814 174.900 0.181 0.000 1.375 38 G CA -0.843 44.377 45.100 0.200 0.000 0.890 38 G HN 0.837 nan 8.290 nan 0.000 0.476 39 C N 1.072 120.452 119.300 0.133 0.000 2.322 39 C HA 0.869 5.329 4.460 -0.000 0.000 0.324 39 C C 0.613 175.660 174.990 0.094 0.000 1.284 39 C CA 0.004 59.084 59.018 0.103 0.000 1.606 39 C CB -0.405 27.366 27.740 0.053 0.000 2.251 39 C HN 1.057 nan 8.230 nan 0.000 0.502 40 A N 4.013 126.895 122.820 0.103 0.000 2.340 40 A HA 0.889 5.209 4.320 -0.000 0.000 0.331 40 A C -0.010 177.632 177.584 0.097 0.000 1.140 40 A CA -0.222 51.872 52.037 0.095 0.000 0.801 40 A CB 1.077 20.143 19.000 0.109 0.000 1.234 40 A HN 1.237 nan 8.150 nan 0.000 0.469 41 T N -1.117 113.489 114.554 0.088 0.000 3.008 41 T HA 0.575 4.925 4.350 -0.000 0.000 0.328 41 T C -1.451 173.355 174.700 0.176 0.000 1.020 41 T CA -0.219 61.942 62.100 0.102 0.000 1.043 41 T CB 0.249 69.156 68.868 0.064 0.000 1.010 41 T HN 0.637 nan 8.240 nan 0.000 0.466 42 F N 4.618 124.574 119.950 0.010 0.000 2.872 42 F HA 0.307 4.834 4.527 -0.000 0.000 0.365 42 F C 1.335 177.145 175.800 0.016 0.000 1.296 42 F CA -2.025 55.976 58.000 0.000 0.000 1.199 42 F CB 1.511 40.518 39.000 0.012 0.000 1.687 42 F HN 0.783 nan 8.300 nan 0.000 0.604 43 Q N 1.210 121.090 119.800 0.133 0.000 2.046 43 Q HA -0.209 4.131 4.340 -0.000 0.000 0.200 43 Q C 0.568 176.527 176.000 -0.068 0.000 0.975 43 Q CA 1.786 57.621 55.803 0.053 0.000 0.836 43 Q CB -0.190 28.618 28.738 0.117 0.000 0.896 43 Q HN 0.540 nan 8.270 nan 0.000 0.428 44 Q N 0.308 120.016 119.800 -0.155 0.000 2.376 44 Q HA -0.042 4.298 4.340 -0.000 0.000 0.211 44 Q C 0.370 176.143 176.000 -0.378 0.000 0.986 44 Q CA 1.181 56.838 55.803 -0.245 0.000 0.886 44 Q CB 0.188 28.776 28.738 -0.250 0.000 0.927 44 Q HN 0.284 nan 8.270 nan 0.000 0.457 45 R N -1.438 118.733 120.500 -0.549 0.000 2.583 45 R HA 0.195 4.535 4.340 -0.000 0.000 0.329 45 R C -2.322 173.862 176.300 -0.193 0.000 1.166 45 R CA -1.189 54.616 56.100 -0.492 0.000 1.264 45 R CB 0.284 30.037 30.300 -0.912 0.000 1.324 45 R HN 0.128 nan 8.270 nan 0.000 0.684 46 P HA -0.120 nan 4.420 nan 0.000 0.217 46 P C 1.281 178.614 177.300 0.057 0.000 1.148 46 P CA 1.137 64.261 63.100 0.041 0.000 0.828 46 P CB 0.320 32.044 31.700 0.041 0.000 0.783 47 L N -1.793 119.444 121.223 0.024 0.000 2.162 47 L HA 0.017 4.357 4.340 -0.000 0.000 0.205 47 L C 2.482 179.388 176.870 0.059 0.000 1.086 47 L CA 0.980 55.843 54.840 0.037 0.000 0.778 47 L CB -1.052 41.017 42.059 0.016 0.000 0.928 47 L HN -0.089 nan 8.230 nan 0.000 0.446 48 A N 0.101 122.958 122.820 0.062 0.000 1.883 48 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 48 A C 2.345 180.017 177.584 0.147 0.000 1.186 48 A CA 1.980 54.081 52.037 0.107 0.000 0.624 48 A CB -0.889 18.182 19.000 0.119 0.000 0.822 48 A HN 0.163 nan 8.150 nan 0.000 0.444 49 V N 0.269 120.288 119.914 0.176 0.000 2.287 49 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 49 V C 2.579 178.749 176.094 0.126 0.000 1.053 49 V CA 2.511 64.914 62.300 0.172 0.000 1.027 49 V CB -0.680 31.264 31.823 0.201 0.000 0.646 49 V HN 0.724 nan 8.190 nan 0.000 0.447 50 K N -0.130 120.333 120.400 0.105 0.000 2.057 50 K HA -0.198 4.122 4.320 -0.000 0.000 0.207 50 K C 2.089 178.722 176.600 0.055 0.000 1.049 50 K CA 2.026 58.361 56.287 0.080 0.000 0.931 50 K CB -0.297 32.245 32.500 0.071 0.000 0.714 50 K HN 0.598 nan 8.250 nan 0.000 0.440 51 T N 0.982 115.568 114.554 0.053 0.000 2.788 51 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 51 T C 1.663 176.376 174.700 0.022 0.000 1.044 51 T CA 1.428 63.535 62.100 0.013 0.000 1.139 51 T CB -0.182 68.715 68.868 0.048 0.000 0.867 51 T HN 0.200 nan 8.240 nan 0.000 0.454 52 M N 1.512 121.191 119.600 0.133 0.000 2.132 52 M HA 0.005 4.485 4.480 -0.000 0.000 0.263 52 M C 2.119 178.508 176.300 0.148 0.000 1.065 52 M CA 1.247 56.686 55.300 0.233 0.000 1.122 52 M CB -0.687 32.033 32.600 0.200 0.000 1.365 52 M HN 0.092 nan 8.290 nan 0.000 0.411 53 V N 0.292 120.261 119.914 0.090 0.000 2.307 53 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 53 V C 2.037 178.138 176.094 0.011 0.000 1.045 53 V CA 2.052 64.388 62.300 0.059 0.000 1.024 53 V CB -1.112 30.747 31.823 0.060 0.000 0.651 53 V HN 0.373 nan 8.190 nan 0.000 0.449 54 D N 0.556 120.946 120.400 -0.017 0.000 2.097 54 D HA -0.138 4.502 4.640 -0.000 0.000 0.195 54 D C 1.909 178.142 176.300 -0.111 0.000 0.989 54 D CA 1.779 55.747 54.000 -0.053 0.000 0.827 54 D CB -0.124 40.650 40.800 -0.043 0.000 0.966 54 D HN 0.763 nan 8.370 nan 0.000 0.456 55 E N -1.535 118.526 120.200 -0.231 0.000 2.603 55 E HA 0.071 4.421 4.350 -0.000 0.000 0.211 55 E C 0.368 176.680 176.600 -0.480 0.000 0.995 55 E CA -0.066 56.121 56.400 -0.355 0.000 0.990 55 E CB 0.248 29.675 29.700 -0.455 0.000 1.036 55 E HN 0.260 nan 8.360 nan 0.000 0.475 56 Y N 0.057 120.365 120.300 0.013 0.000 2.701 56 Y HA 0.286 4.836 4.550 -0.000 0.000 0.275 56 Y C 1.969 177.870 175.900 0.002 0.000 1.133 56 Y CA -0.268 57.838 58.100 0.011 0.000 1.241 56 Y CB 0.208 38.680 38.460 0.020 0.000 1.389 56 Y HN -0.069 nan 8.280 nan 0.000 0.486 57 L N 0.243 121.547 121.223 0.134 0.000 2.072 57 L HA -0.113 4.227 4.340 -0.000 0.000 0.205 57 L C 2.518 179.406 176.870 0.030 0.000 1.079 57 L CA 1.339 56.222 54.840 0.072 0.000 0.752 57 L CB -0.340 41.753 42.059 0.057 0.000 0.906 57 L HN 0.096 nan 8.230 nan 0.000 0.436 58 K N 0.703 121.106 120.400 0.006 0.000 2.057 58 K HA -0.142 4.178 4.320 -0.000 0.000 0.206 58 K C -0.400 176.187 176.600 -0.021 0.000 1.050 58 K CA 1.276 57.547 56.287 -0.026 0.000 0.935 58 K CB -0.974 31.493 32.500 -0.055 0.000 0.715 58 K HN 0.158 nan 8.250 nan 0.000 0.439 59 P HA -0.151 nan 4.420 nan 0.000 0.215 59 P C 1.473 178.776 177.300 0.004 0.000 1.157 59 P CA 1.523 64.623 63.100 -0.001 0.000 0.868 59 P CB -0.257 31.454 31.700 0.018 0.000 0.788 60 I N -4.960 115.619 120.570 0.015 0.000 3.291 60 I HA -0.004 4.166 4.170 -0.000 0.000 0.279 60 I C 1.498 177.614 176.117 -0.001 0.000 1.294 60 I CA 1.071 62.376 61.300 0.009 0.000 1.428 60 I CB -0.577 37.432 38.000 0.015 0.000 1.070 60 I HN -0.082 nan 8.210 nan 0.000 0.478 61 L N 0.698 121.917 121.223 -0.007 0.000 2.362 61 L HA 0.323 4.663 4.340 -0.000 0.000 0.204 61 L C 1.178 178.034 176.870 -0.024 0.000 1.060 61 L CA 0.044 54.875 54.840 -0.015 0.000 0.827 61 L CB 0.208 42.257 42.059 -0.018 0.000 1.027 61 L HN 0.079 nan 8.230 nan 0.000 0.474 62 I N 0.692 121.244 120.570 -0.029 0.000 2.775 62 I HA -0.059 4.111 4.170 -0.000 0.000 0.290 62 I C 1.462 177.564 176.117 -0.025 0.000 1.203 62 I CA 1.332 62.612 61.300 -0.034 0.000 1.433 62 I CB 0.424 38.401 38.000 -0.038 0.000 1.354 62 I HN 0.422 nan 8.210 nan 0.000 0.579 63 G N 4.386 113.170 108.800 -0.026 0.000 2.253 63 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.251 63 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.251 63 G C 0.394 175.282 174.900 -0.021 0.000 0.998 63 G CA -0.323 44.764 45.100 -0.021 0.000 0.621 63 G HN 0.511 nan 8.290 nan 0.000 0.524 64 K N 0.560 120.946 120.400 -0.022 0.000 2.126 64 K HA 0.288 4.608 4.320 -0.000 0.000 0.257 64 K C -0.099 176.485 176.600 -0.026 0.000 1.007 64 K CA -0.827 55.447 56.287 -0.021 0.000 0.928 64 K CB 0.602 33.092 32.500 -0.018 0.000 1.013 64 K HN 0.143 nan 8.250 nan 0.000 0.473 65 N N 1.456 120.141 118.700 -0.025 0.000 2.421 65 N HA 0.031 4.771 4.740 -0.000 0.000 0.260 65 N C 0.575 176.059 175.510 -0.043 0.000 1.173 65 N CA 0.011 53.042 53.050 -0.032 0.000 0.960 65 N CB 0.462 38.933 38.487 -0.028 0.000 1.273 65 N HN 0.579 nan 8.380 nan 0.000 0.497 66 A N 3.853 126.643 122.820 -0.050 0.000 2.139 66 A HA -0.210 4.109 4.320 -0.000 0.000 0.221 66 A C 1.836 179.361 177.584 -0.099 0.000 1.159 66 A CA 1.185 53.181 52.037 -0.069 0.000 0.662 66 A CB -0.287 18.673 19.000 -0.065 0.000 0.796 66 A HN 0.673 nan 8.150 nan 0.000 0.463 67 N N 0.947 119.596 118.700 -0.086 0.000 2.244 67 N HA -0.074 4.666 4.740 -0.000 0.000 0.183 67 N C -0.093 175.337 175.510 -0.132 0.000 1.016 67 N CA 0.803 53.790 53.050 -0.106 0.000 0.866 67 N CB -0.319 38.125 38.487 -0.072 0.000 0.980 67 N HN 0.402 nan 8.380 nan 0.000 0.430 68 N N 1.407 120.049 118.700 -0.097 0.000 3.188 68 N HA 0.169 4.909 4.740 -0.000 0.000 0.279 68 N C 1.020 176.476 175.510 -0.090 0.000 1.213 68 N CA -0.060 52.940 53.050 -0.083 0.000 1.138 68 N CB 0.267 38.731 38.487 -0.038 0.000 1.417 68 N HN 0.258 nan 8.380 nan 0.000 0.526 69 I N -0.067 120.391 120.570 -0.187 0.000 2.163 69 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 69 I C 2.280 178.390 176.117 -0.011 0.000 1.085 69 I CA 1.224 62.403 61.300 -0.202 0.000 1.347 69 I CB 0.029 37.676 38.000 -0.589 0.000 1.044 69 I HN 0.415 nan 8.210 nan 0.000 0.408 70 E N 0.850 121.055 120.200 0.008 0.000 2.150 70 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 70 E C 1.686 178.399 176.600 0.189 0.000 0.985 70 E CA 1.406 57.890 56.400 0.140 0.000 0.814 70 E CB 0.034 29.795 29.700 0.102 0.000 0.752 70 E HN 0.378 nan 8.360 nan 0.000 0.466 71 D N 0.247 120.706 120.400 0.099 0.000 2.104 71 D HA -0.155 4.485 4.640 -0.000 0.000 0.194 71 D C 2.046 178.402 176.300 0.094 0.000 0.994 71 D CA 1.002 55.054 54.000 0.087 0.000 0.830 71 D CB -0.059 40.766 40.800 0.041 0.000 0.959 71 D HN 0.172 nan 8.370 nan 0.000 0.452 72 L N -0.961 120.312 121.223 0.083 0.000 2.109 72 L HA -0.064 4.276 4.340 -0.000 0.000 0.207 72 L C 2.146 179.086 176.870 0.117 0.000 1.086 72 L CA 0.654 55.536 54.840 0.069 0.000 0.760 72 L CB -0.459 41.623 42.059 0.039 0.000 0.910 72 L HN 0.286 nan 8.230 nan 0.000 0.437 73 W N 1.231 122.541 121.300 0.017 0.000 2.317 73 W HA -0.322 4.338 4.660 -0.000 0.000 0.318 73 W C 2.771 179.318 176.519 0.046 0.000 1.227 73 W CA 2.107 59.479 57.345 0.045 0.000 1.269 73 W CB -0.161 29.343 29.460 0.073 0.000 1.155 73 W HN 0.098 nan 8.180 nan 0.000 0.484 74 Q N -0.272 119.668 119.800 0.232 0.000 2.084 74 Q HA -0.249 4.091 4.340 -0.000 0.000 0.202 74 Q C 2.416 178.374 176.000 -0.070 0.000 0.978 74 Q CA 2.393 58.243 55.803 0.079 0.000 0.844 74 Q CB -0.807 28.045 28.738 0.190 0.000 0.898 74 Q HN 0.320 nan 8.270 nan 0.000 0.426 75 M N -0.734 118.855 119.600 -0.018 0.000 2.080 75 M HA -0.222 4.257 4.480 -0.000 0.000 0.260 75 M C 1.904 178.152 176.300 -0.086 0.000 1.068 75 M CA 1.742 57.019 55.300 -0.038 0.000 1.109 75 M CB -0.245 32.350 32.600 -0.008 0.000 1.342 75 M HN 0.397 nan 8.290 nan 0.000 0.405 76 M N -0.338 119.192 119.600 -0.117 0.000 2.086 76 M HA -0.254 4.226 4.480 -0.000 0.000 0.261 76 M C 2.101 178.272 176.300 -0.216 0.000 1.067 76 M CA 1.443 56.662 55.300 -0.136 0.000 1.116 76 M CB -0.418 32.105 32.600 -0.128 0.000 1.348 76 M HN 0.274 nan 8.290 nan 0.000 0.407 77 M N -0.059 119.305 119.600 -0.394 0.000 2.279 77 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 77 M C 1.895 178.052 176.300 -0.238 0.000 1.062 77 M CA 1.322 56.351 55.300 -0.453 0.000 1.099 77 M CB -0.875 31.195 32.600 -0.883 0.000 1.394 77 M HN 0.339 nan 8.290 nan 0.000 0.426 78 V N -3.885 115.932 119.914 -0.162 0.000 3.578 78 V HA 0.153 4.273 4.120 -0.000 0.000 0.290 78 V C 1.562 177.636 176.094 -0.033 0.000 1.376 78 V CA 0.289 62.542 62.300 -0.077 0.000 1.083 78 V CB -0.768 31.031 31.823 -0.040 0.000 0.911 78 V HN 0.378 nan 8.190 nan 0.000 0.433 79 N N 2.015 120.683 118.700 -0.054 0.000 2.166 79 N HA -0.109 4.631 4.740 -0.000 0.000 0.186 79 N C 1.613 177.109 175.510 -0.022 0.000 1.019 79 N CA 1.715 54.745 53.050 -0.034 0.000 0.856 79 N CB 0.155 38.620 38.487 -0.036 0.000 0.993 79 N HN 0.626 nan 8.380 nan 0.000 0.426 80 A N -0.792 122.014 122.820 -0.023 0.000 2.251 80 A HA 0.014 4.334 4.320 -0.000 0.000 0.209 80 A C 0.870 178.485 177.584 0.052 0.000 1.187 80 A CA 0.446 52.474 52.037 -0.014 0.000 0.823 80 A CB -0.381 18.605 19.000 -0.023 0.000 0.846 80 A HN 0.591 nan 8.150 nan 0.000 0.486 81 Y N -2.273 117.944 120.300 -0.137 0.000 2.738 81 Y HA -0.289 4.261 4.550 -0.000 0.000 0.479 81 Y C 0.003 175.801 175.900 -0.171 0.000 1.177 81 Y CA 1.329 59.299 58.100 -0.217 0.000 2.776 81 Y CB -1.467 36.769 38.460 -0.374 0.000 1.037 81 Y HN 0.370 nan 8.280 nan 0.000 0.572 82 W N 5.417 126.567 121.300 -0.250 0.000 2.158 82 W HA 0.464 5.124 4.660 -0.000 0.000 0.339 82 W C 0.940 177.349 176.519 -0.184 0.000 1.294 82 W CA 0.976 58.153 57.345 -0.281 0.000 1.231 82 W CB 0.414 29.772 29.460 -0.170 0.000 1.143 82 W HN 0.454 nan 8.180 nan 0.000 0.571 83 R N 1.126 121.668 120.500 0.070 0.000 2.766 83 R HA 0.380 4.720 4.340 -0.000 0.000 0.270 83 R C -0.613 175.677 176.300 -0.016 0.000 1.035 83 R CA -1.064 55.030 56.100 -0.009 0.000 0.911 83 R CB 0.585 30.847 30.300 -0.063 0.000 1.243 83 R HN 0.426 nan 8.270 nan 0.000 0.460 84 N N -0.673 118.012 118.700 -0.025 0.000 2.441 84 N HA -0.112 4.628 4.740 -0.000 0.000 0.292 84 N C -0.902 174.603 175.510 -0.008 0.000 1.378 84 N CA 1.575 54.620 53.050 -0.009 0.000 0.651 84 N CB -0.708 37.767 38.487 -0.021 0.000 0.926 84 N HN 0.976 nan 8.380 nan 0.000 0.517 85 G N 0.507 109.303 108.800 -0.006 0.000 2.550 85 G HA2 0.562 4.522 3.960 -0.000 0.000 0.293 85 G HA3 0.562 4.522 3.960 -0.000 0.000 0.293 85 G C -2.454 172.414 174.900 -0.053 0.000 1.402 85 G CA -0.723 44.367 45.100 -0.016 0.000 0.784 85 G HN 0.064 nan 8.290 nan 0.000 0.482 86 P HA 0.022 nan 4.420 nan 0.000 0.217 86 P C 1.901 178.987 177.300 -0.358 0.000 1.151 86 P CA 0.704 63.577 63.100 -0.380 0.000 0.828 86 P CB 0.258 31.621 31.700 -0.563 0.000 0.788 87 V N -0.468 119.407 119.914 -0.065 0.000 2.331 87 V HA -0.147 3.973 4.120 -0.000 0.000 0.242 87 V C 2.399 178.523 176.094 0.050 0.000 1.034 87 V CA 1.379 63.733 62.300 0.089 0.000 1.027 87 V CB -1.040 30.896 31.823 0.190 0.000 0.667 87 V HN -0.014 nan 8.190 nan 0.000 0.457 88 I N 0.842 121.430 120.570 0.030 0.000 2.142 88 I HA -0.208 3.962 4.170 -0.000 0.000 0.240 88 I C 2.345 178.467 176.117 0.008 0.000 1.078 88 I CA 1.631 62.945 61.300 0.022 0.000 1.343 88 I CB -0.623 37.379 38.000 0.003 0.000 1.046 88 I HN 0.320 nan 8.210 nan 0.000 0.405 89 N N 1.063 119.760 118.700 -0.004 0.000 2.166 89 N HA -0.159 4.581 4.740 -0.000 0.000 0.186 89 N C 1.582 177.113 175.510 0.035 0.000 1.019 89 N CA 1.057 54.123 53.050 0.026 0.000 0.856 89 N CB -0.554 37.964 38.487 0.052 0.000 0.993 89 N HN 0.342 nan 8.380 nan 0.000 0.426 90 N N 0.704 119.396 118.700 -0.013 0.000 2.084 90 N HA -0.080 4.660 4.740 -0.000 0.000 0.190 90 N C 1.595 177.141 175.510 0.059 0.000 1.030 90 N CA 1.256 54.309 53.050 0.005 0.000 0.849 90 N CB -0.166 38.296 38.487 -0.042 0.000 1.012 90 N HN 0.232 nan 8.380 nan 0.000 0.423 91 A N 1.650 124.510 122.820 0.066 0.000 1.865 91 A HA -0.108 4.212 4.320 -0.000 0.000 0.217 91 A C 2.317 179.949 177.584 0.079 0.000 1.191 91 A CA 1.073 53.159 52.037 0.082 0.000 0.623 91 A CB -0.762 18.291 19.000 0.089 0.000 0.826 91 A HN 0.223 nan 8.150 nan 0.000 0.444 92 I N 0.459 121.068 120.570 0.065 0.000 2.286 92 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 92 I C 2.911 179.117 176.117 0.149 0.000 1.115 92 I CA 1.573 62.916 61.300 0.071 0.000 1.392 92 I CB -0.282 37.712 38.000 -0.010 0.000 1.065 92 I HN 0.544 nan 8.210 nan 0.000 0.418 93 S N 1.108 116.900 115.700 0.153 0.000 2.382 93 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 93 S C 2.174 176.863 174.600 0.149 0.000 1.027 93 S CA 1.357 59.660 58.200 0.171 0.000 0.991 93 S CB -1.007 62.266 63.200 0.121 0.000 0.823 93 S HN 0.482 nan 8.310 nan 0.000 0.469 94 G N 0.962 109.837 108.800 0.125 0.000 2.418 94 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 94 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 94 G C 1.467 176.443 174.900 0.127 0.000 1.158 94 G CA 1.020 46.195 45.100 0.125 0.000 0.771 94 G HN 0.503 nan 8.290 nan 0.000 0.545 95 V N 1.069 121.053 119.914 0.118 0.000 2.323 95 V HA -0.137 3.982 4.120 -0.000 0.000 0.244 95 V C 2.418 178.597 176.094 0.142 0.000 1.041 95 V CA 2.191 64.552 62.300 0.102 0.000 1.025 95 V CB -0.479 31.391 31.823 0.079 0.000 0.656 95 V HN 0.446 nan 8.190 nan 0.000 0.451 96 D N -0.237 120.287 120.400 0.208 0.000 2.116 96 D HA -0.245 4.395 4.640 -0.000 0.000 0.193 96 D C 2.201 178.701 176.300 0.335 0.000 0.998 96 D CA 1.913 56.090 54.000 0.295 0.000 0.836 96 D CB -0.142 40.899 40.800 0.402 0.000 0.951 96 D HN 0.319 nan 8.370 nan 0.000 0.449 97 M N -0.120 119.642 119.600 0.271 0.000 2.117 97 M HA -0.152 4.328 4.480 -0.000 0.000 0.262 97 M C 2.360 178.805 176.300 0.242 0.000 1.065 97 M CA 1.527 56.984 55.300 0.261 0.000 1.114 97 M CB -0.277 32.428 32.600 0.176 0.000 1.361 97 M HN 0.160 nan 8.290 nan 0.000 0.408 98 A N 0.510 123.433 122.820 0.171 0.000 1.940 98 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 98 A C 2.055 179.685 177.584 0.077 0.000 1.176 98 A CA 1.428 53.528 52.037 0.105 0.000 0.631 98 A CB -0.932 18.091 19.000 0.038 0.000 0.814 98 A HN 0.477 nan 8.150 nan 0.000 0.446 99 L N -2.859 118.406 121.223 0.070 0.000 2.056 99 L HA -0.202 4.138 4.340 -0.000 0.000 0.207 99 L C 2.617 179.456 176.870 -0.051 0.000 1.078 99 L CA 1.336 56.160 54.840 -0.027 0.000 0.749 99 L CB -0.629 41.379 42.059 -0.085 0.000 0.901 99 L HN 0.585 nan 8.230 nan 0.000 0.433 100 W N 0.792 122.114 121.300 0.036 0.000 2.338 100 W HA -0.243 4.417 4.660 -0.000 0.000 0.304 100 W C 2.466 178.976 176.519 -0.015 0.000 1.212 100 W CA 1.369 58.729 57.345 0.026 0.000 1.264 100 W CB -0.302 29.198 29.460 0.067 0.000 1.142 100 W HN 0.222 nan 8.180 nan 0.000 0.512 101 D N 0.326 120.858 120.400 0.222 0.000 2.104 101 D HA -0.204 4.436 4.640 -0.000 0.000 0.194 101 D C 1.876 178.222 176.300 0.077 0.000 0.994 101 D CA 1.664 55.745 54.000 0.134 0.000 0.830 101 D CB -0.415 40.486 40.800 0.169 0.000 0.959 101 D HN 0.106 nan 8.370 nan 0.000 0.452 102 I N 0.202 120.798 120.570 0.043 0.000 2.163 102 I HA -0.254 3.916 4.170 -0.000 0.000 0.243 102 I C 2.535 178.646 176.117 -0.009 0.000 1.085 102 I CA 1.191 62.493 61.300 0.003 0.000 1.347 102 I CB -0.223 37.759 38.000 -0.030 0.000 1.044 102 I HN 0.022 nan 8.210 nan 0.000 0.408 103 K N 1.000 121.384 120.400 -0.027 0.000 2.063 103 K HA -0.215 4.105 4.320 -0.000 0.000 0.208 103 K C 2.154 178.750 176.600 -0.007 0.000 1.048 103 K CA 1.611 57.871 56.287 -0.044 0.000 0.928 103 K CB -0.141 32.289 32.500 -0.118 0.000 0.713 103 K HN 0.324 nan 8.250 nan 0.000 0.442 104 A N 1.204 124.032 122.820 0.013 0.000 1.898 104 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 104 A C 1.867 179.433 177.584 -0.030 0.000 1.181 104 A CA 1.599 53.616 52.037 -0.032 0.000 0.620 104 A CB -0.305 18.635 19.000 -0.101 0.000 0.819 104 A HN 0.308 nan 8.150 nan 0.000 0.442 105 K N -0.202 120.196 120.400 -0.004 0.000 2.026 105 K HA -0.033 4.286 4.320 -0.000 0.000 0.208 105 K C 1.811 178.411 176.600 -0.001 0.000 1.048 105 K CA 1.402 57.693 56.287 0.007 0.000 0.929 105 K CB -0.444 32.076 32.500 0.032 0.000 0.713 105 K HN 0.431 nan 8.250 nan 0.000 0.439 106 L N 0.590 121.810 121.223 -0.006 0.000 2.081 106 L HA -0.226 4.113 4.340 -0.000 0.000 0.212 106 L C 2.369 179.232 176.870 -0.011 0.000 1.080 106 L CA 1.271 56.105 54.840 -0.010 0.000 0.754 106 L CB -0.508 41.539 42.059 -0.019 0.000 0.893 106 L HN 0.247 nan 8.230 nan 0.000 0.433 107 A N -0.481 122.330 122.820 -0.015 0.000 2.235 107 A HA 0.217 4.537 4.320 -0.000 0.000 0.208 107 A C 1.713 179.286 177.584 -0.019 0.000 1.172 107 A CA 0.679 52.706 52.037 -0.016 0.000 0.786 107 A CB -0.620 18.369 19.000 -0.019 0.000 0.804 107 A HN 0.531 nan 8.150 nan 0.000 0.479 108 G N -0.361 108.429 108.800 -0.017 0.000 2.249 108 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.273 108 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.273 108 G C 0.076 174.958 174.900 -0.030 0.000 1.036 108 G CA 0.957 46.048 45.100 -0.015 0.000 0.824 108 G HN 1.229 nan 8.290 nan 0.000 0.504 109 M N -2.891 116.675 119.600 -0.056 0.000 2.593 109 M HA 0.742 5.221 4.480 -0.000 0.000 0.290 109 M C -3.103 173.103 176.300 -0.156 0.000 1.244 109 M CA -2.730 52.513 55.300 -0.094 0.000 0.857 109 M CB 1.649 34.188 32.600 -0.102 0.000 1.738 109 M HN -0.146 nan 8.290 nan 0.000 0.461 110 P HA 0.014 nan 4.420 nan 0.000 0.266 110 P C 0.549 177.512 177.300 -0.562 0.000 1.195 110 P CA -0.318 62.597 63.100 -0.308 0.000 0.768 110 P CB 0.467 31.967 31.700 -0.333 0.000 0.838 111 L N 4.700 125.450 121.223 -0.789 0.000 2.043 111 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 111 L C 2.137 178.311 176.870 -1.160 0.000 1.075 111 L CA 2.258 56.520 54.840 -0.963 0.000 0.752 111 L CB -1.449 39.957 42.059 -1.088 0.000 0.891 111 L HN 0.564 nan 8.230 nan 0.000 0.432 112 H N -2.995 115.633 119.070 -0.736 0.000 2.491 112 H HA -0.018 4.538 4.556 -0.000 0.000 0.290 112 H C 1.865 177.071 175.328 -0.204 0.000 1.050 112 H CA 0.975 56.780 56.048 -0.405 0.000 1.309 112 H CB -0.419 29.443 29.762 0.167 0.000 1.392 112 H HN 0.412 nan 8.280 nan 0.000 0.554 113 Q N 0.389 119.823 119.800 -0.610 0.000 2.123 113 Q HA -0.039 4.301 4.340 -0.000 0.000 0.199 113 Q C 2.375 178.289 176.000 -0.143 0.000 0.966 113 Q CA 0.816 56.461 55.803 -0.263 0.000 0.845 113 Q CB -0.317 28.259 28.738 -0.270 0.000 0.907 113 Q HN 0.478 nan 8.270 nan 0.000 0.439 114 L N 0.387 121.469 121.223 -0.235 0.000 2.013 114 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 114 L C 1.989 178.888 176.870 0.048 0.000 1.073 114 L CA 1.670 56.455 54.840 -0.092 0.000 0.753 114 L CB -0.679 41.311 42.059 -0.115 0.000 0.890 114 L HN 0.044 nan 8.230 nan 0.000 0.432 115 F N 0.207 120.047 119.950 -0.184 0.000 2.202 115 F HA 0.072 4.599 4.527 -0.000 0.000 0.301 115 F C 2.181 177.841 175.800 -0.233 0.000 1.082 115 F CA 0.933 58.698 58.000 -0.392 0.000 1.313 115 F CB -1.091 37.283 39.000 -1.042 0.000 1.024 115 F HN 0.311 nan 8.300 nan 0.000 0.495 116 G N -1.851 107.032 108.800 0.138 0.000 2.559 116 G HA2 0.340 4.300 3.960 -0.000 0.000 0.202 116 G HA3 0.340 4.300 3.960 -0.000 0.000 0.202 116 G C 0.500 175.593 174.900 0.322 0.000 0.992 116 G CA -0.096 45.164 45.100 0.266 0.000 0.764 116 G HN 0.975 nan 8.290 nan 0.000 0.525 117 G N -0.427 108.590 108.800 0.361 0.000 2.498 117 G HA2 0.182 4.142 3.960 -0.000 0.000 0.651 117 G HA3 0.182 4.142 3.960 -0.000 0.000 0.651 117 G C -0.550 174.636 174.900 0.476 0.000 1.284 117 G CA -0.249 45.071 45.100 0.367 0.000 0.950 117 G HN 0.657 nan 8.290 nan 0.000 0.511 118 K N -0.041 120.553 120.400 0.325 0.000 2.205 118 K HA 0.546 4.866 4.320 -0.000 0.000 0.279 118 K C 0.894 177.564 176.600 0.117 0.000 1.027 118 K CA -0.062 56.347 56.287 0.203 0.000 0.932 118 K CB 1.442 34.010 32.500 0.114 0.000 1.032 118 K HN 0.332 nan 8.250 nan 0.000 0.466 119 S N 1.950 117.683 115.700 0.055 0.000 2.486 119 S HA -0.003 4.467 4.470 -0.000 0.000 0.220 119 S C 0.309 174.908 174.600 -0.002 0.000 1.011 119 S CA 0.319 58.529 58.200 0.017 0.000 0.921 119 S CB 0.084 63.268 63.200 -0.027 0.000 0.785 119 S HN 0.637 nan 8.310 nan 0.000 0.517 120 R N -0.313 120.182 120.500 -0.009 0.000 2.734 120 R HA 0.448 4.788 4.340 -0.000 0.000 0.271 120 R C -1.283 174.994 176.300 -0.038 0.000 1.021 120 R CA -0.726 55.358 56.100 -0.027 0.000 0.893 120 R CB 0.373 30.648 30.300 -0.041 0.000 1.244 120 R HN -0.237 nan 8.270 nan 0.000 0.464 121 D N -0.123 120.245 120.400 -0.053 0.000 2.277 121 D HA 0.206 4.846 4.640 -0.000 0.000 0.208 121 D C 0.152 176.359 176.300 -0.155 0.000 0.962 121 D CA 1.432 55.402 54.000 -0.050 0.000 0.865 121 D CB 0.569 41.359 40.800 -0.017 0.000 0.939 121 D HN 0.605 nan 8.370 nan 0.000 0.510 122 A N -0.329 122.354 122.820 -0.228 0.000 2.586 122 A HA 0.525 4.845 4.320 -0.000 0.000 0.291 122 A C -1.861 175.665 177.584 -0.097 0.000 1.062 122 A CA -0.653 51.162 52.037 -0.370 0.000 0.666 122 A CB 0.958 19.399 19.000 -0.932 0.000 1.281 122 A HN -0.017 nan 8.150 nan 0.000 0.421 123 I N 1.475 122.010 120.570 -0.059 0.000 2.404 123 I HA 0.652 4.822 4.170 -0.000 0.000 0.293 123 I C -2.372 173.711 176.117 -0.056 0.000 0.992 123 I CA -2.334 58.961 61.300 -0.009 0.000 1.149 123 I CB 1.907 39.880 38.000 -0.044 0.000 1.315 123 I HN 0.404 nan 8.210 nan 0.000 0.446 124 P HA 0.155 nan 4.420 nan 0.000 0.270 124 P C -1.158 175.941 177.300 -0.335 0.000 1.223 124 P CA -0.079 62.710 63.100 -0.517 0.000 0.785 124 P CB 0.485 31.897 31.700 -0.480 0.000 0.923 125 V N 2.157 121.899 119.914 -0.287 0.000 2.628 125 V HA 0.444 4.564 4.120 -0.000 0.000 0.306 125 V C -0.441 175.576 176.094 -0.128 0.000 1.045 125 V CA -0.538 61.670 62.300 -0.153 0.000 0.905 125 V CB 1.246 33.077 31.823 0.013 0.000 0.997 125 V HN 0.517 nan 8.190 nan 0.000 0.436 126 Y N 1.517 121.637 120.300 -0.300 0.000 2.468 126 Y HA 0.887 5.437 4.550 -0.000 0.000 0.342 126 Y C 0.127 175.642 175.900 -0.643 0.000 1.021 126 Y CA -0.745 57.099 58.100 -0.426 0.000 1.079 126 Y CB 1.623 39.828 38.460 -0.424 0.000 1.226 126 Y HN 0.718 nan 8.280 nan 0.000 0.460 127 T N -0.760 113.344 114.554 -0.750 0.000 2.905 127 T HA 0.568 4.918 4.350 -0.000 0.000 0.283 127 T C -1.423 172.741 174.700 -0.893 0.000 1.031 127 T CA -0.888 60.541 62.100 -1.118 0.000 1.002 127 T CB 1.169 68.791 68.868 -2.077 0.000 1.200 127 T HN 0.772 nan 8.240 nan 0.000 0.560 128 H N -0.349 118.425 119.070 -0.494 0.000 2.539 128 H HA 0.686 5.241 4.556 -0.000 0.000 0.332 128 H C -0.486 174.826 175.328 -0.026 0.000 1.031 128 H CA -0.532 55.418 56.048 -0.163 0.000 1.206 128 H CB 1.359 31.093 29.762 -0.047 0.000 1.446 128 H HN 0.961 nan 8.280 nan 0.000 0.496 129 A N 3.378 126.252 122.820 0.090 0.000 2.328 129 A HA 0.537 4.857 4.320 -0.000 0.000 0.318 129 A C -0.447 177.120 177.584 -0.028 0.000 1.347 129 A CA -0.616 51.490 52.037 0.116 0.000 0.842 129 A CB 0.240 19.293 19.000 0.088 0.000 1.148 129 A HN 0.649 nan 8.150 nan 0.000 0.499 130 T N 1.540 116.023 114.554 -0.119 0.000 2.812 130 T HA 0.686 5.036 4.350 -0.000 0.000 0.282 130 T C -0.294 174.122 174.700 -0.472 0.000 0.990 130 T CA -0.321 61.564 62.100 -0.359 0.000 0.960 130 T CB 1.337 69.853 68.868 -0.586 0.000 0.948 130 T HN 0.758 nan 8.240 nan 0.000 0.438 131 S N 1.017 116.494 115.700 -0.371 0.000 2.596 131 S HA 0.375 4.845 4.470 -0.000 0.000 0.270 131 S C -0.402 174.185 174.600 -0.021 0.000 1.155 131 S CA -0.669 57.436 58.200 -0.157 0.000 0.827 131 S CB 1.492 64.655 63.200 -0.061 0.000 1.130 131 S HN 0.550 nan 8.310 nan 0.000 0.467 132 D N 1.362 121.863 120.400 0.169 0.000 2.355 132 D HA 0.148 4.788 4.640 -0.000 0.000 0.218 132 D C 0.766 177.094 176.300 0.047 0.000 1.004 132 D CA 0.988 55.078 54.000 0.150 0.000 0.880 132 D CB 0.179 41.085 40.800 0.177 0.000 0.911 132 D HN 0.672 nan 8.370 nan 0.000 0.528 133 T N -3.852 110.698 114.554 -0.006 0.000 2.883 133 T HA 0.294 4.644 4.350 -0.000 0.000 0.301 133 T C 0.962 175.570 174.700 -0.154 0.000 1.158 133 T CA -0.750 61.316 62.100 -0.056 0.000 1.007 133 T CB 1.708 70.555 68.868 -0.036 0.000 1.186 133 T HN -0.386 nan 8.240 nan 0.000 0.499 134 M N 0.607 120.072 119.600 -0.224 0.000 2.175 134 M HA 0.027 4.507 4.480 -0.000 0.000 0.264 134 M C 2.103 177.960 176.300 -0.737 0.000 1.063 134 M CA 1.427 56.424 55.300 -0.505 0.000 1.119 134 M CB -1.429 30.904 32.600 -0.444 0.000 1.377 134 M HN 0.948 nan 8.290 nan 0.000 0.415 135 E N -0.069 119.935 120.200 -0.326 0.000 2.049 135 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 135 E C 2.017 178.558 176.600 -0.098 0.000 1.007 135 E CA 1.535 57.865 56.400 -0.116 0.000 0.809 135 E CB -0.245 29.455 29.700 -0.000 0.000 0.749 135 E HN 0.547 nan 8.360 nan 0.000 0.450 136 G N 1.168 109.910 108.800 -0.098 0.000 2.440 136 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 136 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 136 G C 1.598 176.446 174.900 -0.087 0.000 1.154 136 G CA 0.969 46.034 45.100 -0.059 0.000 0.767 136 G HN 0.249 nan 8.290 nan 0.000 0.552 137 I N -0.431 120.037 120.570 -0.170 0.000 2.252 137 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 137 I C 2.494 178.599 176.117 -0.020 0.000 1.102 137 I CA 0.788 62.004 61.300 -0.140 0.000 1.385 137 I CB -0.333 37.551 38.000 -0.193 0.000 1.064 137 I HN 0.092 nan 8.210 nan 0.000 0.414 138 Y N 1.006 121.334 120.300 0.047 0.000 2.053 138 Y HA -0.352 4.198 4.550 -0.000 0.000 0.277 138 Y C 2.404 178.311 175.900 0.012 0.000 1.159 138 Y CA 1.446 59.608 58.100 0.103 0.000 1.125 138 Y CB -1.473 37.065 38.460 0.131 0.000 0.969 138 Y HN 0.243 nan 8.280 nan 0.000 0.492 139 D N -0.065 120.427 120.400 0.152 0.000 2.157 139 D HA -0.218 4.422 4.640 -0.000 0.000 0.191 139 D C 2.083 178.326 176.300 -0.094 0.000 1.004 139 D CA 1.807 55.820 54.000 0.022 0.000 0.854 139 D CB -0.380 40.418 40.800 -0.003 0.000 0.936 139 D HN 0.293 nan 8.370 nan 0.000 0.446 140 L N -0.737 120.410 121.223 -0.126 0.000 2.072 140 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 140 L C 2.598 179.230 176.870 -0.398 0.000 1.079 140 L CA 0.379 55.039 54.840 -0.300 0.000 0.752 140 L CB -0.336 41.630 42.059 -0.155 0.000 0.906 140 L HN 0.037 nan 8.230 nan 0.000 0.436 141 V N 0.029 119.829 119.914 -0.191 0.000 2.287 141 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 141 V C 2.370 178.277 176.094 -0.313 0.000 1.053 141 V CA 1.921 64.044 62.300 -0.295 0.000 1.027 141 V CB -0.446 31.090 31.823 -0.479 0.000 0.646 141 V HN 0.449 nan 8.190 nan 0.000 0.447 142 E N 0.073 120.157 120.200 -0.193 0.000 2.106 142 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 142 E C 2.317 178.831 176.600 -0.142 0.000 0.984 142 E CA 1.123 57.454 56.400 -0.115 0.000 0.806 142 E CB -0.502 29.201 29.700 0.005 0.000 0.750 142 E HN 0.648 nan 8.360 nan 0.000 0.458 143 G N 0.497 109.151 108.800 -0.242 0.000 2.422 143 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.218 143 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.218 143 G C 1.141 175.916 174.900 -0.207 0.000 1.146 143 G CA 0.552 45.490 45.100 -0.270 0.000 0.769 143 G HN 0.120 nan 8.290 nan 0.000 0.547 144 F N 0.766 120.659 119.950 -0.095 0.000 2.146 144 F HA 0.132 4.659 4.527 -0.000 0.000 0.298 144 F C 2.658 178.465 175.800 0.012 0.000 1.096 144 F CA 0.267 58.250 58.000 -0.029 0.000 1.275 144 F CB -0.838 38.025 39.000 -0.227 0.000 1.008 144 F HN 0.013 nan 8.300 nan 0.000 0.480 145 L N -0.061 121.180 121.223 0.031 0.000 2.013 145 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 145 L C 2.325 179.202 176.870 0.012 0.000 1.073 145 L CA 1.748 56.577 54.840 -0.019 0.000 0.753 145 L CB -0.826 41.182 42.059 -0.086 0.000 0.890 145 L HN 0.194 nan 8.230 nan 0.000 0.432 146 E N 0.096 120.298 120.200 0.003 0.000 2.160 146 E HA -0.220 4.130 4.350 -0.000 0.000 0.195 146 E C 1.789 178.390 176.600 0.002 0.000 0.991 146 E CA 1.013 57.412 56.400 -0.001 0.000 0.810 146 E CB -0.022 29.670 29.700 -0.013 0.000 0.742 146 E HN 0.438 nan 8.360 nan 0.000 0.466 147 K N -0.613 119.806 120.400 0.031 0.000 2.487 147 K HA 0.064 4.384 4.320 -0.000 0.000 0.192 147 K C 0.927 177.413 176.600 -0.191 0.000 1.027 147 K CA 0.452 56.724 56.287 -0.025 0.000 1.054 147 K CB 0.668 33.221 32.500 0.088 0.000 0.824 147 K HN 0.261 nan 8.250 nan 0.000 0.510 148 G N 0.690 109.414 108.800 -0.125 0.000 2.175 148 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 148 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 148 G C -0.211 174.563 174.900 -0.209 0.000 0.982 148 G CA -0.337 44.670 45.100 -0.156 0.000 0.641 148 G HN 0.228 nan 8.290 nan 0.000 0.527 149 Y N 0.698 120.963 120.300 -0.057 0.000 2.497 149 Y HA 0.469 5.019 4.550 -0.000 0.000 0.334 149 Y C 1.546 177.386 175.900 -0.099 0.000 1.199 149 Y CA 0.356 58.390 58.100 -0.109 0.000 1.425 149 Y CB 0.760 39.113 38.460 -0.178 0.000 1.291 149 Y HN -0.075 nan 8.280 nan 0.000 0.562 150 K N 2.048 122.496 120.400 0.079 0.000 2.438 150 K HA 0.176 4.496 4.320 -0.000 0.000 0.206 150 K C -0.861 175.603 176.600 -0.227 0.000 1.081 150 K CA -0.051 56.208 56.287 -0.047 0.000 1.053 150 K CB 0.410 32.846 32.500 -0.107 0.000 0.908 150 K HN 0.728 nan 8.250 nan 0.000 0.556 151 H N -0.264 118.782 119.070 -0.040 0.000 2.759 151 H HA 0.531 5.087 4.556 -0.000 0.000 0.354 151 H C -0.764 174.454 175.328 -0.184 0.000 1.074 151 H CA -0.381 55.590 56.048 -0.128 0.000 1.226 151 H CB 1.831 31.397 29.762 -0.327 0.000 1.648 151 H HN -0.128 nan 8.280 nan 0.000 0.529 152 I N 1.740 122.277 120.570 -0.056 0.000 2.571 152 I HA 0.299 4.469 4.170 -0.000 0.000 0.289 152 I C -0.465 175.542 176.117 -0.183 0.000 1.115 152 I CA -0.736 60.433 61.300 -0.218 0.000 1.045 152 I CB 2.424 40.222 38.000 -0.337 0.000 1.238 152 I HN 0.355 nan 8.210 nan 0.000 0.424 153 R N 4.750 125.099 120.500 -0.252 0.000 2.267 153 R HA 0.529 4.869 4.340 -0.000 0.000 0.319 153 R C -1.380 174.866 176.300 -0.089 0.000 1.067 153 R CA -0.136 55.834 56.100 -0.216 0.000 0.936 153 R CB 0.703 30.873 30.300 -0.216 0.000 1.006 153 R HN 0.704 nan 8.270 nan 0.000 0.452 154 C N 4.526 123.796 119.300 -0.051 0.000 2.345 154 C HA 0.439 4.899 4.460 -0.000 0.000 0.323 154 C C -0.785 174.243 174.990 0.063 0.000 1.276 154 C CA -0.869 58.125 59.018 -0.040 0.000 1.543 154 C CB 1.393 29.069 27.740 -0.107 0.000 2.211 154 C HN 0.671 nan 8.230 nan 0.000 0.493 155 Q N 2.500 122.323 119.800 0.039 0.000 2.290 155 Q HA 0.434 4.774 4.340 -0.000 0.000 0.269 155 Q C -1.147 174.860 176.000 0.012 0.000 1.016 155 Q CA -0.562 55.313 55.803 0.119 0.000 0.754 155 Q CB 2.475 31.243 28.738 0.050 0.000 1.247 155 Q HN 0.703 nan 8.270 nan 0.000 0.451 156 L N 1.547 122.814 121.223 0.073 0.000 2.297 156 L HA 0.609 4.949 4.340 -0.000 0.000 0.277 156 L C 0.680 177.611 176.870 0.101 0.000 1.040 156 L CA 0.732 55.581 54.840 0.016 0.000 0.867 156 L CB 0.464 42.508 42.059 -0.025 0.000 1.244 156 L HN 0.861 nan 8.230 nan 0.000 0.433 157 G N 2.219 111.073 108.800 0.089 0.000 2.183 157 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.168 157 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.168 157 G C 0.250 175.328 174.900 0.295 0.000 1.008 157 G CA -0.301 44.919 45.100 0.200 0.000 0.677 157 G HN 0.637 nan 8.290 nan 0.000 0.498 180 Q N 0.614 120.488 119.800 0.125 0.000 2.096 180 Q HA -0.092 4.248 4.340 -0.000 0.000 0.204 180 Q C 1.028 177.141 176.000 0.190 0.000 0.982 180 Q CA 1.945 57.850 55.803 0.170 0.000 0.850 180 Q CB -0.075 28.750 28.738 0.146 0.000 0.901 180 Q HN 0.481 nan 8.270 nan 0.000 0.422 181 D N 0.277 120.758 120.400 0.134 0.000 2.117 181 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 181 D C 1.854 178.208 176.300 0.090 0.000 0.987 181 D CA 1.038 55.102 54.000 0.105 0.000 0.829 181 D CB -0.134 40.716 40.800 0.083 0.000 0.961 181 D HN 0.313 nan 8.370 nan 0.000 0.460 182 Q N -0.205 119.654 119.800 0.097 0.000 2.096 182 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 182 Q C 2.274 178.333 176.000 0.098 0.000 0.982 182 Q CA 1.240 57.095 55.803 0.086 0.000 0.850 182 Q CB -0.196 28.594 28.738 0.087 0.000 0.901 182 Q HN 0.391 nan 8.270 nan 0.000 0.422 183 Y N 0.189 120.514 120.300 0.041 0.000 2.181 183 Y HA -0.180 4.370 4.550 -0.000 0.000 0.288 183 Y C 1.913 177.840 175.900 0.045 0.000 1.146 183 Y CA 1.840 59.964 58.100 0.039 0.000 1.164 183 Y CB -0.226 38.248 38.460 0.024 0.000 0.982 183 Y HN 0.081 nan 8.280 nan 0.000 0.515 184 M N 0.057 119.497 119.600 -0.266 0.000 2.132 184 M HA -0.198 4.282 4.480 -0.000 0.000 0.263 184 M C 1.670 177.924 176.300 -0.076 0.000 1.065 184 M CA 1.824 56.953 55.300 -0.285 0.000 1.122 184 M CB -0.361 32.250 32.600 0.017 0.000 1.365 184 M HN 0.239 nan 8.290 nan 0.000 0.411 185 D N 0.578 120.967 120.400 -0.018 0.000 2.092 185 D HA -0.147 4.493 4.640 -0.000 0.000 0.193 185 D C 1.479 177.768 176.300 -0.017 0.000 0.994 185 D CA 1.437 55.443 54.000 0.010 0.000 0.828 185 D CB -0.707 40.109 40.800 0.026 0.000 0.963 185 D HN 0.480 nan 8.370 nan 0.000 0.450 186 N N -0.486 118.190 118.700 -0.040 0.000 2.223 186 N HA -0.092 4.647 4.740 -0.000 0.000 0.185 186 N C 1.592 177.056 175.510 -0.078 0.000 1.016 186 N CA 1.178 54.204 53.050 -0.040 0.000 0.863 186 N CB 0.032 38.514 38.487 -0.008 0.000 0.983 186 N HN 0.086 nan 8.380 nan 0.000 0.429 187 T N 1.194 115.660 114.554 -0.147 0.000 2.857 187 T HA 0.016 4.366 4.350 -0.000 0.000 0.266 187 T C 1.983 176.706 174.700 0.038 0.000 1.048 187 T CA 0.622 62.633 62.100 -0.148 0.000 1.139 187 T CB -0.126 68.519 68.868 -0.372 0.000 0.874 187 T HN 0.126 nan 8.240 nan 0.000 0.455 188 L N 0.817 122.081 121.223 0.068 0.000 2.027 188 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 188 L C 2.948 179.767 176.870 -0.084 0.000 1.074 188 L CA 1.207 56.069 54.840 0.037 0.000 0.745 188 L CB -1.182 40.919 42.059 0.069 0.000 0.898 188 L HN 0.256 nan 8.230 nan 0.000 0.433 189 T N -0.182 114.340 114.554 -0.052 0.000 2.665 189 T HA -0.329 4.021 4.350 -0.000 0.000 0.268 189 T C 1.833 176.469 174.700 -0.107 0.000 1.035 189 T CA 1.864 63.922 62.100 -0.069 0.000 1.151 189 T CB -0.267 68.582 68.868 -0.033 0.000 0.862 189 T HN 0.288 nan 8.240 nan 0.000 0.438 190 M N -0.038 119.492 119.600 -0.117 0.000 2.073 190 M HA -0.139 4.341 4.480 -0.000 0.000 0.258 190 M C 1.916 178.076 176.300 -0.233 0.000 1.070 190 M CA 1.945 57.144 55.300 -0.168 0.000 1.103 190 M CB -0.360 32.105 32.600 -0.226 0.000 1.321 190 M HN 0.224 nan 8.290 nan 0.000 0.405 191 F N 0.555 120.310 119.950 -0.325 0.000 2.126 191 F HA -0.245 4.281 4.527 -0.000 0.000 0.299 191 F C 2.609 178.020 175.800 -0.648 0.000 1.096 191 F CA 2.091 59.818 58.000 -0.456 0.000 1.255 191 F CB -0.579 38.079 39.000 -0.571 0.000 0.997 191 F HN 0.189 nan 8.300 nan 0.000 0.479 192 K N 0.050 120.045 120.400 -0.675 0.000 2.026 192 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 192 K C 2.178 178.701 176.600 -0.130 0.000 1.048 192 K CA 1.848 57.839 56.287 -0.494 0.000 0.929 192 K CB -0.231 32.106 32.500 -0.272 0.000 0.713 192 K HN 0.136 nan 8.250 nan 0.000 0.439 193 S N 1.220 116.879 115.700 -0.069 0.000 2.383 193 S HA -0.073 4.397 4.470 -0.000 0.000 0.227 193 S C 1.879 176.536 174.600 0.096 0.000 1.026 193 S CA 0.966 59.192 58.200 0.043 0.000 0.981 193 S CB -0.188 63.086 63.200 0.122 0.000 0.818 193 S HN 0.244 nan 8.310 nan 0.000 0.472 194 L N 1.036 122.325 121.223 0.110 0.000 2.046 194 L HA -0.082 4.258 4.340 -0.000 0.000 0.208 194 L C 2.768 179.715 176.870 0.129 0.000 1.077 194 L CA 1.009 55.990 54.840 0.236 0.000 0.747 194 L CB -0.389 41.744 42.059 0.124 0.000 0.896 194 L HN 0.169 nan 8.230 nan 0.000 0.432 195 R N 0.253 120.769 120.500 0.027 0.000 2.096 195 R HA -0.146 4.194 4.340 -0.000 0.000 0.235 195 R C 2.022 178.322 176.300 0.000 0.000 1.127 195 R CA 1.143 57.256 56.100 0.021 0.000 0.968 195 R CB -0.501 29.857 30.300 0.097 0.000 0.861 195 R HN 0.509 nan 8.270 nan 0.000 0.440 196 E N 0.325 120.518 120.200 -0.012 0.000 2.106 196 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 196 E C 1.938 178.457 176.600 -0.135 0.000 0.984 196 E CA 1.021 57.392 56.400 -0.049 0.000 0.806 196 E CB 0.072 29.751 29.700 -0.035 0.000 0.750 196 E HN 0.208 nan 8.360 nan 0.000 0.458 197 K N -0.556 119.706 120.400 -0.231 0.000 2.166 197 K HA -0.046 4.274 4.320 -0.000 0.000 0.201 197 K C 0.788 177.016 176.600 -0.620 0.000 1.052 197 K CA 0.850 56.815 56.287 -0.537 0.000 0.969 197 K CB 0.308 32.276 32.500 -0.887 0.000 0.761 197 K HN 0.090 nan 8.250 nan 0.000 0.459 198 Y N -0.652 119.622 120.300 -0.045 0.000 2.527 198 Y HA 0.287 4.837 4.550 -0.000 0.000 0.247 198 Y C 1.251 177.109 175.900 -0.071 0.000 1.138 198 Y CA -0.091 58.003 58.100 -0.011 0.000 1.228 198 Y CB 0.657 39.194 38.460 0.128 0.000 1.252 198 Y HN 0.246 nan 8.280 nan 0.000 0.531 199 G N 1.942 110.748 108.800 0.011 0.000 2.699 199 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.347 199 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.347 199 G C 0.943 175.786 174.900 -0.093 0.000 1.225 199 G CA 1.301 46.382 45.100 -0.032 0.000 0.973 199 G HN 0.395 nan 8.290 nan 0.000 0.551 200 N N 1.062 119.706 118.700 -0.094 0.000 2.234 200 N HA 0.151 4.891 4.740 -0.000 0.000 0.227 200 N C 1.852 177.265 175.510 -0.161 0.000 1.151 200 N CA 0.443 53.392 53.050 -0.168 0.000 0.865 200 N CB 0.865 39.273 38.487 -0.132 0.000 1.066 200 N HN 0.694 nan 8.380 nan 0.000 0.515 201 Q N -0.093 119.670 119.800 -0.061 0.000 2.291 201 Q HA -0.052 4.288 4.340 -0.000 0.000 0.206 201 Q C -0.252 175.807 176.000 0.098 0.000 0.976 201 Q CA 1.198 57.036 55.803 0.058 0.000 0.875 201 Q CB -0.011 28.859 28.738 0.220 0.000 0.927 201 Q HN 0.442 nan 8.270 nan 0.000 0.450 202 F N -3.811 116.032 119.950 -0.179 0.000 2.668 202 F HA 0.444 4.971 4.527 -0.000 0.000 0.309 202 F C -0.827 174.785 175.800 -0.315 0.000 1.117 202 F CA -1.483 56.360 58.000 -0.263 0.000 0.951 202 F CB 0.836 39.708 39.000 -0.212 0.000 1.323 202 F HN -0.227 nan 8.300 nan 0.000 0.451 203 H N 2.094 121.033 119.070 -0.219 0.000 2.652 203 H HA 0.521 5.077 4.556 -0.000 0.000 0.349 203 H C -0.505 174.762 175.328 -0.102 0.000 1.099 203 H CA 0.178 56.084 56.048 -0.237 0.000 1.417 203 H CB 1.649 31.167 29.762 -0.407 0.000 1.457 203 H HN 0.577 nan 8.280 nan 0.000 0.568 204 I N 4.857 125.459 120.570 0.054 0.000 2.382 204 I HA 0.097 4.267 4.170 -0.000 0.000 0.286 204 I C -0.600 175.539 176.117 0.038 0.000 1.002 204 I CA -0.632 60.692 61.300 0.041 0.000 1.135 204 I CB 1.168 39.148 38.000 -0.033 0.000 1.288 204 I HN 0.087 nan 8.210 nan 0.000 0.448 205 L N 5.929 127.067 121.223 -0.143 0.000 2.344 205 L HA 0.559 4.899 4.340 -0.000 0.000 0.272 205 L C -0.439 176.409 176.870 -0.036 0.000 1.035 205 L CA -0.444 54.202 54.840 -0.323 0.000 0.807 205 L CB 1.045 42.614 42.059 -0.816 0.000 1.237 205 L HN 0.484 nan 8.230 nan 0.000 0.442 206 H N 0.074 119.126 119.070 -0.030 0.000 3.029 206 H HA 0.408 4.964 4.556 -0.000 0.000 0.358 206 H C -1.783 173.608 175.328 0.105 0.000 1.129 206 H CA -0.660 55.453 56.048 0.108 0.000 1.230 206 H CB 1.497 31.497 29.762 0.395 0.000 1.827 206 H HN 0.535 nan 8.280 nan 0.000 0.530 207 D N 3.884 123.959 120.400 -0.541 0.000 2.303 207 D HA 0.171 4.810 4.640 -0.000 0.000 0.236 207 D C 0.467 176.377 176.300 -0.649 0.000 1.068 207 D CA -0.260 53.442 54.000 -0.497 0.000 0.830 207 D CB 1.922 42.321 40.800 -0.670 0.000 1.109 207 D HN 0.392 nan 8.370 nan 0.000 0.496 208 V N 4.013 123.763 119.914 -0.273 0.000 3.129 208 V HA -0.087 4.033 4.120 -0.000 0.000 0.259 208 V C 0.696 176.700 176.094 -0.151 0.000 1.116 208 V CA 0.406 62.645 62.300 -0.102 0.000 1.127 208 V CB -0.889 30.948 31.823 0.023 0.000 0.742 208 V HN 0.751 nan 8.190 nan 0.000 0.474 209 H N 0.085 119.088 119.070 -0.111 0.000 2.820 209 H HA -0.186 4.369 4.556 -0.000 0.000 0.295 209 H C 1.014 176.265 175.328 -0.127 0.000 1.187 209 H CA 1.091 57.071 56.048 -0.115 0.000 1.144 209 H CB -1.790 27.881 29.762 -0.152 0.000 1.354 209 H HN 0.787 nan 8.280 nan 0.000 0.395 210 E N -1.888 118.302 120.200 -0.017 0.000 2.971 210 E HA -0.309 4.041 4.350 -0.000 0.000 0.278 210 E C 1.122 177.640 176.600 -0.136 0.000 1.009 210 E CA 0.861 57.227 56.400 -0.056 0.000 0.862 210 E CB -0.725 28.958 29.700 -0.029 0.000 1.436 210 E HN 0.586 nan 8.360 nan 0.000 0.434 211 R N 0.019 120.412 120.500 -0.178 0.000 2.299 211 R HA 0.163 4.503 4.340 -0.000 0.000 0.197 211 R C 0.696 176.840 176.300 -0.261 0.000 0.971 211 R CA 0.448 56.396 56.100 -0.255 0.000 1.030 211 R CB 0.254 30.320 30.300 -0.391 0.000 0.932 211 R HN 0.128 nan 8.270 nan 0.000 0.477 212 L N 0.737 121.830 121.223 -0.216 0.000 2.334 212 L HA 0.380 4.720 4.340 -0.000 0.000 0.276 212 L C -0.213 176.496 176.870 -0.269 0.000 1.014 212 L CA -1.099 53.641 54.840 -0.167 0.000 0.815 212 L CB 1.115 43.151 42.059 -0.038 0.000 1.268 212 L HN -0.154 nan 8.230 nan 0.000 0.428 213 F N 2.215 122.116 119.950 -0.082 0.000 2.545 213 F HA 0.114 4.641 4.527 -0.000 0.000 0.348 213 F C -1.197 174.459 175.800 -0.240 0.000 1.163 213 F CA -1.033 56.874 58.000 -0.154 0.000 1.331 213 F CB -0.114 38.806 39.000 -0.133 0.000 1.138 213 F HN 0.366 nan 8.300 nan 0.000 0.602 214 P HA -0.201 nan 4.420 nan 0.000 0.215 214 P C 1.239 178.326 177.300 -0.355 0.000 1.153 214 P CA 1.728 64.487 63.100 -0.568 0.000 0.853 214 P CB -0.059 30.598 31.700 -1.738 0.000 0.788 215 N N 0.074 118.596 118.700 -0.297 0.000 2.166 215 N HA -0.197 4.543 4.740 -0.000 0.000 0.186 215 N C 1.550 177.072 175.510 0.021 0.000 1.019 215 N CA 1.571 54.569 53.050 -0.086 0.000 0.856 215 N CB -1.089 37.370 38.487 -0.047 0.000 0.993 215 N HN 0.281 nan 8.380 nan 0.000 0.426 216 Q N 0.259 120.091 119.800 0.054 0.000 2.123 216 Q HA 0.154 4.494 4.340 -0.000 0.000 0.199 216 Q C 2.314 178.393 176.000 0.132 0.000 0.966 216 Q CA 1.484 57.353 55.803 0.109 0.000 0.845 216 Q CB -0.185 28.638 28.738 0.142 0.000 0.907 216 Q HN 0.566 nan 8.270 nan 0.000 0.439 217 A N 1.125 123.997 122.820 0.088 0.000 1.883 217 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 217 A C 2.048 179.744 177.584 0.186 0.000 1.186 217 A CA 1.318 53.437 52.037 0.138 0.000 0.624 217 A CB -0.663 18.382 19.000 0.076 0.000 0.822 217 A HN 0.313 nan 8.150 nan 0.000 0.444 218 I N -0.564 120.088 120.570 0.136 0.000 2.252 218 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 218 I C 2.809 178.999 176.117 0.122 0.000 1.102 218 I CA 1.466 62.850 61.300 0.140 0.000 1.385 218 I CB -0.463 37.626 38.000 0.149 0.000 1.064 218 I HN 0.442 nan 8.210 nan 0.000 0.414 219 Q N 0.093 119.969 119.800 0.126 0.000 2.020 219 Q HA -0.249 4.090 4.340 -0.000 0.000 0.202 219 Q C 2.272 178.344 176.000 0.120 0.000 0.982 219 Q CA 1.988 57.856 55.803 0.107 0.000 0.838 219 Q CB -0.368 28.435 28.738 0.108 0.000 0.899 219 Q HN 0.449 nan 8.270 nan 0.000 0.423 220 F N 1.265 121.236 119.950 0.035 0.000 2.126 220 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 220 F C 2.158 177.962 175.800 0.005 0.000 1.096 220 F CA 1.305 59.319 58.000 0.023 0.000 1.255 220 F CB -0.341 38.691 39.000 0.053 0.000 0.997 220 F HN 0.017 nan 8.300 nan 0.000 0.479 221 A N 0.303 123.160 122.820 0.061 0.000 1.908 221 A HA -0.222 4.097 4.320 -0.000 0.000 0.218 221 A C 2.258 179.763 177.584 -0.133 0.000 1.181 221 A CA 1.950 53.961 52.037 -0.044 0.000 0.627 221 A CB -0.656 18.388 19.000 0.073 0.000 0.818 221 A HN 0.480 nan 8.150 nan 0.000 0.445 222 K N -0.494 119.858 120.400 -0.081 0.000 2.103 222 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 222 K C 1.864 178.368 176.600 -0.160 0.000 1.052 222 K CA 1.460 57.691 56.287 -0.094 0.000 0.945 222 K CB -0.125 32.350 32.500 -0.041 0.000 0.722 222 K HN 0.623 nan 8.250 nan 0.000 0.443 223 E N 0.380 120.464 120.200 -0.193 0.000 2.158 223 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 223 E C 1.826 178.248 176.600 -0.298 0.000 0.982 223 E CA 0.535 56.815 56.400 -0.201 0.000 0.823 223 E CB 0.229 29.854 29.700 -0.125 0.000 0.766 223 E HN -0.008 nan 8.360 nan 0.000 0.468 224 V N 1.061 120.684 119.914 -0.484 0.000 3.235 224 V HA -0.112 4.008 4.120 -0.000 0.000 0.259 224 V C 2.003 177.843 176.094 -0.422 0.000 1.133 224 V CA 0.993 62.970 62.300 -0.537 0.000 1.128 224 V CB 0.028 31.216 31.823 -1.057 0.000 0.757 224 V HN 0.220 nan 8.190 nan 0.000 0.469 225 E N 0.589 120.583 120.200 -0.344 0.000 2.065 225 E HA -0.359 3.991 4.350 -0.000 0.000 0.201 225 E C 2.140 178.571 176.600 -0.281 0.000 1.016 225 E CA 2.240 58.488 56.400 -0.254 0.000 0.818 225 E CB -0.179 29.408 29.700 -0.188 0.000 0.749 225 E HN 0.900 nan 8.360 nan 0.000 0.453 226 Q N -0.939 118.616 119.800 -0.408 0.000 2.297 226 Q HA -0.198 4.142 4.340 -0.000 0.000 0.208 226 Q C 1.097 176.826 176.000 -0.452 0.000 0.981 226 Q CA 1.461 56.987 55.803 -0.461 0.000 0.876 226 Q CB -0.381 27.973 28.738 -0.639 0.000 0.921 226 Q HN 0.453 nan 8.270 nan 0.000 0.446 227 Y N 1.138 121.332 120.300 -0.175 0.000 2.466 227 Y HA 0.247 4.797 4.550 -0.000 0.000 0.272 227 Y C -0.118 175.731 175.900 -0.085 0.000 1.169 227 Y CA -0.332 57.698 58.100 -0.116 0.000 1.285 227 Y CB 0.331 38.730 38.460 -0.101 0.000 1.078 227 Y HN -0.010 nan 8.280 nan 0.000 0.523 228 K N -0.245 120.139 120.400 -0.027 0.000 3.419 228 K HA -0.167 4.153 4.320 -0.000 0.000 0.272 228 K C -2.799 173.855 176.600 0.089 0.000 0.973 228 K CA 0.091 56.387 56.287 0.015 0.000 0.749 228 K CB -1.618 30.902 32.500 0.034 0.000 1.403 228 K HN 0.271 nan 8.250 nan 0.000 0.456 229 P HA -0.103 nan 4.420 nan 0.000 0.267 229 P C 0.637 178.023 177.300 0.145 0.000 1.200 229 P CA -0.042 63.157 63.100 0.165 0.000 0.772 229 P CB 0.447 32.184 31.700 0.062 0.000 0.855 230 Y N 3.613 123.900 120.300 -0.021 0.000 2.128 230 Y HA -0.102 4.448 4.550 -0.000 0.000 0.284 230 Y C 0.778 176.547 175.900 -0.218 0.000 1.154 230 Y CA 1.826 59.809 58.100 -0.195 0.000 1.149 230 Y CB -0.124 38.085 38.460 -0.418 0.000 0.976 230 Y HN 0.398 nan 8.280 nan 0.000 0.505 231 F N -2.585 117.267 119.950 -0.163 0.000 2.719 231 F HA 0.506 5.033 4.527 -0.000 0.000 0.309 231 F C -1.752 174.045 175.800 -0.005 0.000 1.138 231 F CA -2.282 55.614 58.000 -0.174 0.000 0.943 231 F CB 0.387 39.142 39.000 -0.408 0.000 1.304 231 F HN -0.402 nan 8.300 nan 0.000 0.445 232 I N 2.064 122.839 120.570 0.342 0.000 2.339 232 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 232 I C -0.153 176.155 176.117 0.318 0.000 0.994 232 I CA -0.412 61.092 61.300 0.340 0.000 1.191 232 I CB 1.136 39.331 38.000 0.324 0.000 1.343 232 I HN 0.839 nan 8.210 nan 0.000 0.458 233 E N 5.000 125.365 120.200 0.275 0.000 2.242 233 E HA 0.187 4.537 4.350 -0.000 0.000 0.275 233 E C -0.686 175.945 176.600 0.052 0.000 1.002 233 E CA -0.355 56.132 56.400 0.146 0.000 0.841 233 E CB 0.767 30.564 29.700 0.163 0.000 1.109 233 E HN 0.477 nan 8.360 nan 0.000 0.394 234 D N 2.714 123.134 120.400 0.033 0.000 2.697 234 D HA -0.235 4.405 4.640 -0.000 0.000 0.235 234 D C 0.439 176.762 176.300 0.039 0.000 1.167 234 D CA 0.581 54.597 54.000 0.027 0.000 0.656 234 D CB -0.986 39.814 40.800 -0.001 0.000 1.025 234 D HN 0.563 nan 8.370 nan 0.000 0.419 235 I N -0.887 119.732 120.570 0.083 0.000 2.761 235 I HA -0.060 4.110 4.170 -0.000 0.000 0.261 235 I C 0.748 176.903 176.117 0.063 0.000 1.198 235 I CA 0.648 62.010 61.300 0.103 0.000 1.482 235 I CB 0.271 38.378 38.000 0.178 0.000 1.100 235 I HN 0.076 nan 8.210 nan 0.000 0.445 236 L N 1.155 122.416 121.223 0.063 0.000 2.334 236 L HA 0.445 4.785 4.340 -0.000 0.000 0.270 236 L C -2.238 174.638 176.870 0.009 0.000 1.018 236 L CA -2.109 52.752 54.840 0.034 0.000 0.811 236 L CB 0.900 43.014 42.059 0.091 0.000 1.271 236 L HN -0.158 nan 8.230 nan 0.000 0.443 237 P HA 0.027 nan 4.420 nan 0.000 0.268 237 P C -2.116 175.209 177.300 0.041 0.000 1.208 237 P CA -0.956 62.126 63.100 -0.029 0.000 0.777 237 P CB -0.041 31.614 31.700 -0.074 0.000 0.875 238 P HA -0.106 nan 4.420 nan 0.000 0.221 238 P C 0.046 177.417 177.300 0.118 0.000 1.150 238 P CA 1.519 64.681 63.100 0.104 0.000 0.800 238 P CB 0.192 31.950 31.700 0.096 0.000 0.787 239 N N 0.541 119.296 118.700 0.092 0.000 2.635 239 N HA 0.101 4.841 4.740 -0.000 0.000 0.307 239 N C 0.234 175.822 175.510 0.131 0.000 1.433 239 N CA -0.014 53.090 53.050 0.089 0.000 0.973 239 N CB 0.705 39.227 38.487 0.059 0.000 1.304 239 N HN 0.124 nan 8.380 nan 0.000 0.507 240 Q N -0.271 119.633 119.800 0.173 0.000 2.088 240 Q HA 0.098 4.438 4.340 -0.000 0.000 0.270 240 Q C 1.314 177.511 176.000 0.329 0.000 0.854 240 Q CA 0.097 56.083 55.803 0.305 0.000 1.104 240 Q CB 0.280 29.160 28.738 0.236 0.000 1.251 240 Q HN 0.390 nan 8.270 nan 0.000 0.436 241 T N -3.041 111.637 114.554 0.207 0.000 3.007 241 T HA -0.087 4.263 4.350 -0.000 0.000 0.270 241 T C 1.246 176.039 174.700 0.156 0.000 1.107 241 T CA 1.007 63.215 62.100 0.179 0.000 1.118 241 T CB 0.184 69.130 68.868 0.130 0.000 0.889 241 T HN 0.086 nan 8.240 nan 0.000 0.506 242 E N 0.665 120.938 120.200 0.123 0.000 2.267 242 E HA -0.070 4.280 4.350 -0.000 0.000 0.197 242 E C 1.155 177.739 176.600 -0.026 0.000 0.998 242 E CA 1.106 57.508 56.400 0.003 0.000 0.830 242 E CB -0.465 29.188 29.700 -0.079 0.000 0.751 242 E HN 0.762 nan 8.360 nan 0.000 0.491 243 W N 0.194 121.520 121.300 0.042 0.000 2.800 243 W HA 0.109 4.769 4.660 -0.000 0.000 0.249 243 W C 1.402 177.951 176.519 0.050 0.000 1.294 243 W CA 0.148 57.522 57.345 0.049 0.000 1.402 243 W CB -0.158 29.340 29.460 0.064 0.000 1.126 243 W HN 0.056 nan 8.180 nan 0.000 0.652 244 L N 0.079 121.440 121.223 0.230 0.000 2.081 244 L HA -0.274 4.066 4.340 -0.000 0.000 0.212 244 L C 1.943 178.875 176.870 0.104 0.000 1.080 244 L CA 1.265 56.198 54.840 0.155 0.000 0.754 244 L CB -0.647 41.483 42.059 0.119 0.000 0.893 244 L HN -0.077 nan 8.230 nan 0.000 0.433 245 D N -0.183 120.253 120.400 0.061 0.000 2.144 245 D HA -0.150 4.490 4.640 -0.000 0.000 0.199 245 D C 1.885 178.211 176.300 0.043 0.000 0.984 245 D CA 1.111 55.128 54.000 0.027 0.000 0.834 245 D CB -0.340 40.451 40.800 -0.015 0.000 0.955 245 D HN 0.363 nan 8.370 nan 0.000 0.465 246 N N 0.397 119.141 118.700 0.073 0.000 2.084 246 N HA -0.053 4.687 4.740 -0.000 0.000 0.190 246 N C 1.986 177.564 175.510 0.113 0.000 1.030 246 N CA 0.593 53.704 53.050 0.101 0.000 0.849 246 N CB -0.161 38.450 38.487 0.205 0.000 1.012 246 N HN 0.184 nan 8.380 nan 0.000 0.423 247 I N 0.630 121.283 120.570 0.140 0.000 2.127 247 I HA -0.246 3.924 4.170 -0.000 0.000 0.241 247 I C 1.913 178.072 176.117 0.071 0.000 1.075 247 I CA 1.117 62.485 61.300 0.112 0.000 1.334 247 I CB -0.132 37.946 38.000 0.130 0.000 1.040 247 I HN 0.133 nan 8.210 nan 0.000 0.405 248 R N 0.609 121.146 120.500 0.063 0.000 2.235 248 R HA -0.034 4.306 4.340 -0.000 0.000 0.213 248 R C 2.232 178.548 176.300 0.027 0.000 1.059 248 R CA 1.291 57.415 56.100 0.040 0.000 0.997 248 R CB -0.812 29.508 30.300 0.034 0.000 0.884 248 R HN 0.491 nan 8.270 nan 0.000 0.462 249 S N -0.586 115.132 115.700 0.029 0.000 2.562 249 S HA 0.023 4.493 4.470 -0.000 0.000 0.221 249 S C 1.508 176.119 174.600 0.017 0.000 0.975 249 S CA 0.258 58.470 58.200 0.019 0.000 0.918 249 S CB 0.311 63.521 63.200 0.017 0.000 0.772 249 S HN 0.306 nan 8.310 nan 0.000 0.531 250 Q N -0.245 119.568 119.800 0.023 0.000 2.254 250 Q HA 0.353 4.693 4.340 -0.000 0.000 0.259 250 Q C -0.085 175.917 176.000 0.003 0.000 0.815 250 Q CA -0.004 55.808 55.803 0.015 0.000 0.961 250 Q CB 1.162 29.916 28.738 0.027 0.000 1.140 250 Q HN 0.442 nan 8.270 nan 0.000 0.502 251 S N -0.199 115.505 115.700 0.007 0.000 2.513 251 S HA 0.269 4.739 4.470 -0.000 0.000 0.299 251 S C 0.483 175.079 174.600 -0.007 0.000 1.087 251 S CA -0.512 57.682 58.200 -0.010 0.000 1.012 251 S CB 1.503 64.697 63.200 -0.010 0.000 1.044 251 S HN 0.214 nan 8.310 nan 0.000 0.485 252 S N 2.886 118.573 115.700 -0.021 0.000 2.631 252 S HA 0.120 4.590 4.470 -0.000 0.000 0.217 252 S C 0.647 175.242 174.600 -0.008 0.000 0.958 252 S CA -0.239 57.953 58.200 -0.013 0.000 0.920 252 S CB -0.180 63.008 63.200 -0.020 0.000 0.776 252 S HN 0.691 nan 8.310 nan 0.000 0.517 253 V N 3.235 123.139 119.914 -0.017 0.000 2.617 253 V HA 0.140 4.260 4.120 -0.000 0.000 0.304 253 V C 0.187 176.307 176.094 0.044 0.000 1.040 253 V CA 0.168 62.461 62.300 -0.011 0.000 1.149 253 V CB 0.407 32.208 31.823 -0.038 0.000 0.914 253 V HN 0.573 nan 8.190 nan 0.000 0.487 254 S N 7.714 123.459 115.700 0.075 0.000 2.564 254 S HA 0.515 4.985 4.470 -0.000 0.000 0.278 254 S C -0.336 174.381 174.600 0.194 0.000 1.333 254 S CA -0.367 57.920 58.200 0.145 0.000 1.048 254 S CB 0.584 63.916 63.200 0.221 0.000 0.900 254 S HN 0.622 nan 8.310 nan 0.000 0.505 255 L N 2.119 123.455 121.223 0.189 0.000 2.386 255 L HA 0.704 5.043 4.340 -0.000 0.000 0.271 255 L C 0.447 177.362 176.870 0.075 0.000 0.993 255 L CA -0.700 54.228 54.840 0.147 0.000 0.819 255 L CB 2.091 44.213 42.059 0.106 0.000 1.294 255 L HN 0.756 nan 8.230 nan 0.000 0.414 256 G N 3.065 111.833 108.800 -0.053 0.000 2.448 256 G HA2 0.829 4.789 3.960 -0.000 0.000 0.324 256 G HA3 0.829 4.789 3.960 -0.000 0.000 0.324 256 G C -1.196 173.616 174.900 -0.146 0.000 1.203 256 G CA -0.372 44.558 45.100 -0.284 0.000 0.954 256 G HN 0.388 nan 8.290 nan 0.000 0.480 257 L N 0.071 121.203 121.223 -0.150 0.000 2.479 257 L HA 0.745 5.085 4.340 -0.000 0.000 0.255 257 L C 0.870 177.517 176.870 -0.371 0.000 1.026 257 L CA -0.292 54.454 54.840 -0.156 0.000 0.842 257 L CB 2.518 44.590 42.059 0.022 0.000 1.444 257 L HN 0.997 nan 8.230 nan 0.000 0.409 258 G N 0.041 108.344 108.800 -0.828 0.000 2.318 258 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.172 258 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.172 258 G C 0.655 175.092 174.900 -0.771 0.000 1.002 258 G CA 0.366 44.491 45.100 -1.626 0.000 0.697 258 G HN 0.734 nan 8.290 nan 0.000 0.483 259 E N 0.402 120.428 120.200 -0.289 0.000 2.108 259 E HA -0.114 4.236 4.350 -0.000 0.000 0.203 259 E C 1.974 178.627 176.600 0.088 0.000 1.022 259 E CA 1.658 58.083 56.400 0.041 0.000 0.823 259 E CB -0.249 29.438 29.700 -0.021 0.000 0.744 259 E HN 0.569 nan 8.360 nan 0.000 0.456 260 L N 0.901 122.134 121.223 0.017 0.000 2.611 260 L HA 0.175 4.515 4.340 -0.000 0.000 0.229 260 L C -0.073 176.981 176.870 0.307 0.000 1.137 260 L CA -0.767 54.146 54.840 0.123 0.000 0.901 260 L CB 0.015 42.147 42.059 0.121 0.000 1.098 260 L HN 0.031 nan 8.230 nan 0.000 0.456 261 F N 1.878 121.937 119.950 0.181 0.000 2.563 261 F HA 0.020 4.547 4.527 -0.000 0.000 0.363 261 F C 1.213 177.144 175.800 0.217 0.000 1.123 261 F CA -0.574 57.561 58.000 0.224 0.000 1.307 261 F CB 0.094 39.322 39.000 0.380 0.000 1.115 261 F HN 0.207 nan 8.300 nan 0.000 0.592 262 N N -0.473 118.438 118.700 0.352 0.000 2.143 262 N HA 0.073 4.813 4.740 -0.000 0.000 0.229 262 N C -0.801 174.835 175.510 0.210 0.000 1.294 262 N CA -0.317 52.888 53.050 0.258 0.000 0.883 262 N CB 0.243 38.794 38.487 0.108 0.000 1.148 262 N HN 0.353 nan 8.380 nan 0.000 0.511 263 N N 0.385 119.147 118.700 0.102 0.000 2.430 263 N HA 0.351 5.091 4.740 -0.000 0.000 0.290 263 N C -2.326 172.771 175.510 -0.689 0.000 1.063 263 N CA -1.697 51.246 53.050 -0.179 0.000 0.883 263 N CB 2.453 40.840 38.487 -0.166 0.000 1.465 263 N HN -0.245 nan 8.380 nan 0.000 0.493 264 P HA -0.111 nan 4.420 nan 0.000 0.218 264 P C 0.760 177.342 177.300 -1.196 0.000 1.146 264 P CA 1.086 63.141 63.100 -1.742 0.000 0.813 264 P CB 0.496 31.748 31.700 -0.746 0.000 0.778 265 E N -0.222 119.586 120.200 -0.654 0.000 2.265 265 E HA -0.192 4.158 4.350 -0.000 0.000 0.196 265 E C 1.708 178.018 176.600 -0.483 0.000 0.996 265 E CA 1.017 57.147 56.400 -0.449 0.000 0.832 265 E CB -0.387 29.142 29.700 -0.285 0.000 0.756 265 E HN 0.504 nan 8.360 nan 0.000 0.491 266 E N -0.662 119.152 120.200 -0.643 0.000 2.208 266 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 266 E C 1.640 177.820 176.600 -0.701 0.000 0.988 266 E CA 1.068 56.961 56.400 -0.845 0.000 0.828 266 E CB -0.039 28.860 29.700 -1.335 0.000 0.763 266 E HN 0.425 nan 8.360 nan 0.000 0.478 267 W N -0.369 120.752 121.300 -0.298 0.000 2.873 267 W HA 0.384 5.044 4.660 -0.000 0.000 0.282 267 W C 1.324 177.834 176.519 -0.016 0.000 1.118 267 W CA -0.459 56.878 57.345 -0.014 0.000 1.480 267 W CB 0.017 29.608 29.460 0.219 0.000 0.954 267 W HN -0.270 nan 8.180 nan 0.000 0.591 268 K N 1.523 121.816 120.400 -0.177 0.000 1.991 268 K HA -0.195 4.125 4.320 -0.000 0.000 0.212 268 K C 2.367 178.937 176.600 -0.050 0.000 1.049 268 K CA 3.029 59.293 56.287 -0.038 0.000 0.932 268 K CB -0.406 31.993 32.500 -0.168 0.000 0.717 268 K HN 0.233 nan 8.250 nan 0.000 0.441 269 S N 0.661 116.304 115.700 -0.095 0.000 2.428 269 S HA -0.076 4.394 4.470 -0.000 0.000 0.230 269 S C 1.945 176.494 174.600 -0.086 0.000 1.014 269 S CA 0.504 58.642 58.200 -0.102 0.000 0.957 269 S CB -0.253 62.892 63.200 -0.091 0.000 0.784 269 S HN 0.090 nan 8.310 nan 0.000 0.499 270 L N 1.662 122.872 121.223 -0.022 0.000 1.989 270 L HA 0.112 4.452 4.340 -0.000 0.000 0.211 270 L C 2.314 179.176 176.870 -0.014 0.000 1.071 270 L CA 1.629 56.487 54.840 0.030 0.000 0.749 270 L CB -0.608 41.539 42.059 0.148 0.000 0.890 270 L HN 0.346 nan 8.230 nan 0.000 0.431 271 I N -1.290 119.273 120.570 -0.011 0.000 2.286 271 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 271 I C 2.455 178.301 176.117 -0.452 0.000 1.104 271 I CA 0.978 62.221 61.300 -0.095 0.000 1.397 271 I CB -0.506 37.520 38.000 0.044 0.000 1.072 271 I HN 0.251 nan 8.210 nan 0.000 0.417 272 A N 0.604 123.031 122.820 -0.655 0.000 2.019 272 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 272 A C 1.796 179.002 177.584 -0.630 0.000 1.164 272 A CA 1.542 52.845 52.037 -1.223 0.000 0.644 272 A CB -0.489 18.109 19.000 -0.669 0.000 0.805 272 A HN 0.462 nan 8.150 nan 0.000 0.449 273 N N -0.744 117.768 118.700 -0.314 0.000 2.230 273 N HA 0.084 4.824 4.740 -0.000 0.000 0.202 273 N C -0.481 174.979 175.510 -0.084 0.000 1.119 273 N CA 0.105 53.066 53.050 -0.148 0.000 0.851 273 N CB 0.267 38.697 38.487 -0.095 0.000 0.990 273 N HN 0.417 nan 8.380 nan 0.000 0.497 274 R N 0.217 120.661 120.500 -0.094 0.000 3.531 274 R HA -0.168 4.172 4.340 -0.000 0.000 0.280 274 R C 0.460 176.751 176.300 -0.015 0.000 1.130 274 R CA 0.366 56.449 56.100 -0.029 0.000 0.757 274 R CB -1.717 28.586 30.300 0.005 0.000 1.218 274 R HN 0.250 nan 8.270 nan 0.000 0.454 275 R N 0.581 121.074 120.500 -0.012 0.000 2.310 275 R HA 0.200 4.540 4.340 -0.000 0.000 0.202 275 R C 1.114 177.435 176.300 0.035 0.000 0.933 275 R CA 0.960 57.071 56.100 0.018 0.000 1.054 275 R CB 0.239 30.557 30.300 0.030 0.000 0.985 275 R HN 0.447 nan 8.270 nan 0.000 0.489 276 I N -4.806 115.774 120.570 0.016 0.000 3.191 276 I HA 0.378 4.548 4.170 -0.000 0.000 0.313 276 I C -0.522 175.565 176.117 -0.050 0.000 1.193 276 I CA -0.974 60.331 61.300 0.010 0.000 0.968 276 I CB 2.384 40.396 38.000 0.019 0.000 1.262 276 I HN -0.268 nan 8.210 nan 0.000 0.456 277 D N 1.243 121.602 120.400 -0.070 0.000 2.422 277 D HA 0.228 4.868 4.640 -0.000 0.000 0.218 277 D C -0.524 175.422 176.300 -0.588 0.000 1.047 277 D CA 1.192 55.048 54.000 -0.240 0.000 0.885 277 D CB 0.813 41.549 40.800 -0.108 0.000 1.035 277 D HN 0.292 nan 8.370 nan 0.000 0.502 278 F N 0.769 120.542 119.950 -0.294 0.000 2.529 278 F HA 0.368 4.895 4.527 -0.000 0.000 0.320 278 F C -0.132 175.425 175.800 -0.405 0.000 1.118 278 F CA -1.137 56.608 58.000 -0.425 0.000 0.915 278 F CB 1.975 40.529 39.000 -0.745 0.000 1.161 278 F HN -0.312 nan 8.300 nan 0.000 0.445 279 I N 3.968 124.387 120.570 -0.251 0.000 2.440 279 I HA 0.445 4.615 4.170 -0.000 0.000 0.294 279 I C 0.397 176.336 176.117 -0.298 0.000 0.995 279 I CA -0.109 61.045 61.300 -0.244 0.000 1.306 279 I CB 0.703 38.549 38.000 -0.257 0.000 1.407 279 I HN 0.507 nan 8.210 nan 0.000 0.501 280 R N 5.133 125.506 120.500 -0.212 0.000 2.616 280 R HA 0.254 4.594 4.340 -0.000 0.000 0.427 280 R C -0.502 175.834 176.300 0.059 0.000 1.030 280 R CA -0.274 55.734 56.100 -0.153 0.000 1.133 280 R CB -0.626 29.577 30.300 -0.162 0.000 1.444 280 R HN 0.576 nan 8.270 nan 0.000 0.578 281 C N 1.510 120.879 119.300 0.116 0.000 2.741 281 C HA 0.060 4.520 4.460 -0.000 0.000 0.403 281 C C 0.929 176.108 174.990 0.315 0.000 1.282 281 C CA 0.088 59.254 59.018 0.246 0.000 2.053 281 C CB -0.391 27.519 27.740 0.283 0.000 2.731 281 C HN 0.378 nan 8.230 nan 0.000 0.680 282 H N 0.206 119.389 119.070 0.188 0.000 2.562 282 H HA 0.214 4.770 4.556 -0.000 0.000 0.314 282 H C 1.040 176.356 175.328 -0.021 0.000 1.079 282 H CA -0.223 55.896 56.048 0.119 0.000 1.349 282 H CB 0.803 30.609 29.762 0.073 0.000 1.432 282 H HN 0.371 nan 8.280 nan 0.000 0.479 283 V N 2.209 122.073 119.914 -0.084 0.000 2.332 283 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 283 V C 1.942 177.974 176.094 -0.103 0.000 1.055 283 V CA 2.273 64.391 62.300 -0.303 0.000 1.038 283 V CB -0.374 31.148 31.823 -0.503 0.000 0.651 283 V HN 0.747 nan 8.190 nan 0.000 0.450 284 S N -1.044 114.655 115.700 -0.003 0.000 2.423 284 S HA -0.181 4.289 4.470 -0.000 0.000 0.231 284 S C 1.942 176.564 174.600 0.036 0.000 1.014 284 S CA 0.970 59.188 58.200 0.030 0.000 0.965 284 S CB -0.236 62.987 63.200 0.039 0.000 0.785 284 S HN 0.594 nan 8.310 nan 0.000 0.495 285 Q N 0.600 120.431 119.800 0.052 0.000 2.297 285 Q HA 0.049 4.389 4.340 -0.000 0.000 0.204 285 Q C 1.871 177.947 176.000 0.127 0.000 0.962 285 Q CA 0.758 56.582 55.803 0.035 0.000 0.879 285 Q CB -0.197 28.558 28.738 0.029 0.000 0.947 285 Q HN 0.782 nan 8.270 nan 0.000 0.462 286 I N -5.005 115.662 120.570 0.161 0.000 3.956 286 I HA 0.418 4.588 4.170 -0.000 0.000 0.333 286 I C 0.906 177.208 176.117 0.309 0.000 1.302 286 I CA 0.546 62.008 61.300 0.270 0.000 1.122 286 I CB 0.533 38.656 38.000 0.205 0.000 1.013 286 I HN 0.075 nan 8.210 nan 0.000 0.405 287 G N 0.530 109.480 108.800 0.249 0.000 2.168 287 G HA2 0.157 4.116 3.960 -0.000 0.000 0.197 287 G HA3 0.157 4.116 3.960 -0.000 0.000 0.197 287 G C 0.527 175.663 174.900 0.394 0.000 0.997 287 G CA -0.371 44.974 45.100 0.408 0.000 0.658 287 G HN 1.465 nan 8.290 nan 0.000 0.513 288 G N -1.122 107.758 108.800 0.133 0.000 2.373 288 G HA2 0.142 4.102 3.960 -0.000 0.000 0.634 288 G HA3 0.142 4.102 3.960 -0.000 0.000 0.634 288 G C 0.760 175.571 174.900 -0.149 0.000 1.267 288 G CA -0.076 45.054 45.100 0.050 0.000 1.008 288 G HN 0.863 nan 8.290 nan 0.000 0.497 289 I N 0.717 121.191 120.570 -0.160 0.000 2.208 289 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 289 I C 3.075 178.934 176.117 -0.431 0.000 1.097 289 I CA 2.277 63.345 61.300 -0.387 0.000 1.363 289 I CB -0.597 37.079 38.000 -0.541 0.000 1.051 289 I HN 0.682 nan 8.210 nan 0.000 0.413 290 T N 1.719 116.146 114.554 -0.211 0.000 2.607 290 T HA -0.113 4.237 4.350 -0.000 0.000 0.267 290 T C -0.419 173.971 174.700 -0.516 0.000 1.049 290 T CA 1.845 63.776 62.100 -0.281 0.000 1.162 290 T CB -1.438 67.203 68.868 -0.379 0.000 0.863 290 T HN 0.333 nan 8.240 nan 0.000 0.424 291 P HA 0.145 nan 4.420 nan 0.000 0.225 291 P C 1.298 178.396 177.300 -0.336 0.000 1.156 291 P CA 0.984 63.822 63.100 -0.437 0.000 0.787 291 P CB -0.128 31.430 31.700 -0.236 0.000 0.802 292 A N 0.590 123.158 122.820 -0.420 0.000 1.902 292 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 292 A C 2.375 179.763 177.584 -0.326 0.000 1.181 292 A CA 1.262 52.997 52.037 -0.503 0.000 0.623 292 A CB -1.580 16.926 19.000 -0.822 0.000 0.818 292 A HN 0.113 nan 8.150 nan 0.000 0.443 293 L N -0.559 120.393 121.223 -0.452 0.000 2.012 293 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 293 L C 2.584 179.130 176.870 -0.539 0.000 1.073 293 L CA 1.941 56.454 54.840 -0.546 0.000 0.748 293 L CB -0.486 41.181 42.059 -0.654 0.000 0.891 293 L HN 0.351 nan 8.230 nan 0.000 0.431 294 K N -0.315 119.888 120.400 -0.328 0.000 2.097 294 K HA -0.174 4.146 4.320 -0.000 0.000 0.205 294 K C 2.037 178.595 176.600 -0.070 0.000 1.050 294 K CA 1.049 57.243 56.287 -0.155 0.000 0.938 294 K CB -0.289 32.176 32.500 -0.058 0.000 0.718 294 K HN 0.091 nan 8.250 nan 0.000 0.442 295 L N 1.152 122.318 121.223 -0.094 0.000 2.093 295 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 295 L C 2.115 178.974 176.870 -0.018 0.000 1.085 295 L CA 1.832 56.626 54.840 -0.077 0.000 0.755 295 L CB -1.028 40.881 42.059 -0.250 0.000 0.904 295 L HN 0.174 nan 8.230 nan 0.000 0.435 296 G N -1.340 107.466 108.800 0.011 0.000 2.476 296 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.218 296 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.218 296 G C 1.449 176.363 174.900 0.022 0.000 1.164 296 G CA 1.156 46.247 45.100 -0.016 0.000 0.768 296 G HN 0.540 nan 8.290 nan 0.000 0.560 297 H N -0.388 118.681 119.070 -0.002 0.000 2.357 297 H HA 0.024 4.580 4.556 -0.000 0.000 0.301 297 H C 2.451 177.777 175.328 -0.004 0.000 1.082 297 H CA 1.049 57.088 56.048 -0.015 0.000 1.342 297 H CB -0.688 29.065 29.762 -0.014 0.000 1.389 297 H HN 0.302 nan 8.280 nan 0.000 0.511 298 L N 0.109 121.426 121.223 0.157 0.000 2.083 298 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 298 L C 2.303 179.285 176.870 0.186 0.000 1.083 298 L CA 1.312 56.264 54.840 0.187 0.000 0.752 298 L CB -0.697 41.501 42.059 0.232 0.000 0.899 298 L HN 0.205 nan 8.230 nan 0.000 0.433 299 C N -0.943 118.412 119.300 0.091 0.000 2.440 299 C HA -0.145 4.315 4.460 -0.000 0.000 0.278 299 C C 2.763 177.769 174.990 0.028 0.000 1.295 299 C CA 1.005 60.047 59.018 0.042 0.000 1.738 299 C CB -0.705 26.980 27.740 -0.092 0.000 1.987 299 C HN 0.685 nan 8.230 nan 0.000 0.492 300 Q N 1.203 121.013 119.800 0.017 0.000 2.050 300 Q HA -0.216 4.124 4.340 -0.000 0.000 0.202 300 Q C 2.254 178.214 176.000 -0.067 0.000 0.980 300 Q CA 1.700 57.500 55.803 -0.005 0.000 0.840 300 Q CB -0.476 28.266 28.738 0.007 0.000 0.898 300 Q HN 0.743 nan 8.270 nan 0.000 0.424 301 N N -0.701 117.928 118.700 -0.118 0.000 2.137 301 N HA -0.183 4.557 4.740 -0.000 0.000 0.190 301 N C 0.915 176.181 175.510 -0.406 0.000 1.017 301 N CA 1.229 54.090 53.050 -0.315 0.000 0.859 301 N CB -0.048 38.158 38.487 -0.468 0.000 1.002 301 N HN 0.239 nan 8.380 nan 0.000 0.428 302 F N -0.416 119.522 119.950 -0.020 0.000 2.695 302 F HA 0.330 4.857 4.527 -0.000 0.000 0.303 302 F C 1.574 177.346 175.800 -0.047 0.000 1.091 302 F CA 0.510 58.496 58.000 -0.023 0.000 1.300 302 F CB 0.353 39.349 39.000 -0.006 0.000 1.071 302 F HN 0.118 nan 8.300 nan 0.000 0.578 303 G N 1.227 110.061 108.800 0.057 0.000 2.204 303 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.244 303 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.244 303 G C -0.455 174.402 174.900 -0.071 0.000 1.062 303 G CA 0.043 45.135 45.100 -0.012 0.000 0.798 303 G HN 0.137 nan 8.290 nan 0.000 0.496 304 V N -0.023 119.840 119.914 -0.085 0.000 2.513 304 V HA 0.664 4.784 4.120 -0.000 0.000 0.299 304 V C 0.825 176.741 176.094 -0.296 0.000 1.035 304 V CA -0.903 61.282 62.300 -0.193 0.000 0.889 304 V CB 1.711 33.465 31.823 -0.115 0.000 0.988 304 V HN 0.464 nan 8.190 nan 0.000 0.440 305 R N 3.048 123.234 120.500 -0.523 0.000 2.553 305 R HA 0.721 5.061 4.340 -0.000 0.000 0.263 305 R C -0.906 175.126 176.300 -0.447 0.000 1.066 305 R CA -0.547 55.237 56.100 -0.526 0.000 1.135 305 R CB 1.154 30.973 30.300 -0.802 0.000 1.148 305 R HN 0.574 nan 8.270 nan 0.000 0.558 306 I N 0.534 120.887 120.570 -0.361 0.000 2.436 306 I HA 0.433 4.603 4.170 -0.000 0.000 0.289 306 I C -0.583 175.280 176.117 -0.423 0.000 1.010 306 I CA -0.495 60.474 61.300 -0.551 0.000 1.098 306 I CB 2.199 39.723 38.000 -0.793 0.000 1.266 306 I HN 0.616 nan 8.210 nan 0.000 0.434 307 A N 6.277 128.824 122.820 -0.455 0.000 3.266 307 A HA 0.414 4.734 4.320 -0.000 0.000 0.310 307 A C -1.140 176.290 177.584 -0.256 0.000 1.066 307 A CA -0.489 51.400 52.037 -0.247 0.000 0.839 307 A CB -0.050 18.923 19.000 -0.046 0.000 1.192 307 A HN 0.729 nan 8.150 nan 0.000 0.496 308 W N 0.454 121.683 121.300 -0.119 0.000 2.209 308 W HA 0.236 4.896 4.660 -0.000 0.000 0.344 308 W C 0.880 177.247 176.519 -0.253 0.000 1.285 308 W CA 0.406 57.654 57.345 -0.162 0.000 1.267 308 W CB 0.247 29.637 29.460 -0.116 0.000 1.167 308 W HN 0.594 nan 8.180 nan 0.000 0.574 309 H N 1.122 120.128 119.070 -0.108 0.000 2.732 309 H HA 0.203 4.759 4.556 -0.000 0.000 0.351 309 H C -0.401 174.763 175.328 -0.275 0.000 1.090 309 H CA 0.234 56.065 56.048 -0.362 0.000 1.431 309 H CB 0.541 29.680 29.762 -1.038 0.000 1.447 309 H HN 0.350 nan 8.280 nan 0.000 0.582 310 C N 7.351 126.646 119.300 -0.009 0.000 3.003 310 C HA 0.257 4.717 4.460 -0.000 0.000 0.241 310 C C -2.184 172.826 174.990 0.035 0.000 1.224 310 C CA -1.662 57.361 59.018 0.008 0.000 1.560 310 C CB -0.773 26.939 27.740 -0.047 0.000 1.768 310 C HN 0.669 nan 8.230 nan 0.000 0.440 311 P HA 0.189 nan 4.420 nan 0.000 0.273 311 P C -2.012 175.228 177.300 -0.100 0.000 1.250 311 P CA -0.690 62.451 63.100 0.069 0.000 0.793 311 P CB 0.375 32.174 31.700 0.165 0.000 1.011 312 P HA -0.143 nan 4.420 nan 0.000 0.219 312 P C 0.787 177.779 177.300 -0.513 0.000 1.146 312 P CA 1.600 64.480 63.100 -0.366 0.000 0.808 312 P CB -0.259 31.190 31.700 -0.419 0.000 0.779 313 D N -2.673 117.425 120.400 -0.504 0.000 2.340 313 D HA 0.019 4.659 4.640 -0.000 0.000 0.217 313 D C 0.689 176.934 176.300 -0.091 0.000 1.081 313 D CA -0.192 53.628 54.000 -0.299 0.000 0.842 313 D CB -0.634 40.043 40.800 -0.204 0.000 0.934 313 D HN 0.149 nan 8.370 nan 0.000 0.511 314 M N 2.123 121.682 119.600 -0.067 0.000 2.228 314 M HA 0.083 4.563 4.480 -0.000 0.000 0.351 314 M C 0.420 176.679 176.300 -0.069 0.000 1.233 314 M CA 0.022 55.305 55.300 -0.028 0.000 1.129 314 M CB 0.965 33.571 32.600 0.009 0.000 1.604 314 M HN 0.043 nan 8.290 nan 0.000 0.457 315 T N 1.730 116.181 114.554 -0.172 0.000 2.816 315 T HA 0.349 4.699 4.350 -0.000 0.000 0.282 315 T C -2.140 172.276 174.700 -0.473 0.000 0.993 315 T CA -1.512 60.295 62.100 -0.488 0.000 0.994 315 T CB 0.573 68.964 68.868 -0.794 0.000 1.025 315 T HN 0.480 nan 8.240 nan 0.000 0.529 316 P HA 0.034 nan 4.420 nan 0.000 0.223 316 P C 1.329 178.449 177.300 -0.300 0.000 1.144 316 P CA 0.812 63.538 63.100 -0.624 0.000 0.783 316 P CB -0.154 31.062 31.700 -0.807 0.000 0.771 317 I N -1.483 118.911 120.570 -0.295 0.000 2.286 317 I HA -0.098 4.072 4.170 -0.000 0.000 0.245 317 I C 2.486 178.594 176.117 -0.015 0.000 1.104 317 I CA 1.560 62.821 61.300 -0.066 0.000 1.397 317 I CB -1.220 36.805 38.000 0.041 0.000 1.072 317 I HN -0.002 nan 8.210 nan 0.000 0.417 318 G N 0.761 109.533 108.800 -0.047 0.000 2.418 318 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 318 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 318 G C 1.880 176.782 174.900 0.004 0.000 1.158 318 G CA 0.833 45.931 45.100 -0.004 0.000 0.771 318 G HN 0.468 nan 8.290 nan 0.000 0.545 319 A N 1.143 123.958 122.820 -0.008 0.000 1.933 319 A HA 0.279 4.599 4.320 -0.000 0.000 0.218 319 A C 2.797 180.395 177.584 0.023 0.000 1.175 319 A CA 2.185 54.238 52.037 0.026 0.000 0.628 319 A CB -0.722 18.333 19.000 0.091 0.000 0.814 319 A HN 0.766 nan 8.150 nan 0.000 0.444 320 A N -0.609 122.220 122.820 0.015 0.000 1.933 320 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 320 A C 2.213 179.846 177.584 0.082 0.000 1.175 320 A CA 1.726 53.770 52.037 0.012 0.000 0.628 320 A CB -0.862 18.166 19.000 0.048 0.000 0.814 320 A HN 0.371 nan 8.150 nan 0.000 0.444 321 V N 0.789 120.786 119.914 0.138 0.000 2.343 321 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 321 V C 2.270 178.442 176.094 0.131 0.000 1.051 321 V CA 2.242 64.650 62.300 0.180 0.000 1.036 321 V CB -0.989 30.895 31.823 0.102 0.000 0.654 321 V HN 0.556 nan 8.190 nan 0.000 0.451 322 N N -0.040 118.698 118.700 0.064 0.000 2.188 322 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 322 N C 1.891 177.472 175.510 0.119 0.000 1.018 322 N CA 1.803 54.901 53.050 0.081 0.000 0.858 322 N CB -0.610 37.922 38.487 0.075 0.000 0.989 322 N HN 0.433 nan 8.380 nan 0.000 0.426 323 T N -0.323 114.259 114.554 0.046 0.000 2.788 323 T HA -0.090 4.260 4.350 -0.000 0.000 0.268 323 T C 1.424 176.126 174.700 0.003 0.000 1.044 323 T CA 1.212 63.305 62.100 -0.011 0.000 1.139 323 T CB -0.357 68.459 68.868 -0.088 0.000 0.867 323 T HN 0.426 nan 8.240 nan 0.000 0.454 324 H N 0.664 119.804 119.070 0.117 0.000 2.293 324 H HA 0.058 4.614 4.556 -0.000 0.000 0.300 324 H C 2.217 177.731 175.328 0.309 0.000 1.082 324 H CA 1.207 57.361 56.048 0.177 0.000 1.308 324 H CB -0.313 29.523 29.762 0.124 0.000 1.375 324 H HN 0.167 nan 8.280 nan 0.000 0.495 325 L N 0.193 121.673 121.223 0.429 0.000 2.081 325 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 325 L C 1.753 178.813 176.870 0.316 0.000 1.080 325 L CA 1.583 56.645 54.840 0.370 0.000 0.754 325 L CB -0.353 41.841 42.059 0.225 0.000 0.893 325 L HN 0.404 nan 8.230 nan 0.000 0.433 326 N N -0.947 117.891 118.700 0.231 0.000 2.333 326 N HA -0.104 4.636 4.740 -0.000 0.000 0.178 326 N C 1.785 177.338 175.510 0.071 0.000 1.018 326 N CA 0.934 54.066 53.050 0.136 0.000 0.882 326 N CB 0.209 38.749 38.487 0.089 0.000 0.984 326 N HN 0.247 nan 8.380 nan 0.000 0.434 327 V N -1.368 118.579 119.914 0.055 0.000 2.871 327 V HA -0.079 4.041 4.120 -0.000 0.000 0.256 327 V C 1.889 178.037 176.094 0.092 0.000 1.082 327 V CA 1.448 63.747 62.300 -0.001 0.000 1.105 327 V CB -0.578 31.157 31.823 -0.146 0.000 0.713 327 V HN 0.280 nan 8.190 nan 0.000 0.473 328 H N 0.811 119.963 119.070 0.138 0.000 2.306 328 H HA 0.300 4.855 4.556 -0.000 0.000 0.307 328 H C 0.920 176.341 175.328 0.154 0.000 1.061 328 H CA 0.775 56.950 56.048 0.213 0.000 1.359 328 H CB -0.286 29.721 29.762 0.408 0.000 1.407 328 H HN 0.422 nan 8.280 nan 0.000 0.517 329 L N 1.936 123.162 121.223 0.004 0.000 2.513 329 L HA -0.037 4.303 4.340 -0.000 0.000 0.272 329 L C 1.541 178.390 176.870 -0.035 0.000 1.187 329 L CA 0.316 55.126 54.840 -0.050 0.000 0.895 329 L CB 0.362 42.458 42.059 0.061 0.000 1.147 329 L HN 0.549 nan 8.230 nan 0.000 0.483 330 H N 3.437 122.438 119.070 -0.114 0.000 2.321 330 H HA -0.199 4.357 4.556 -0.000 0.000 0.295 330 H C 1.444 176.727 175.328 -0.074 0.000 1.102 330 H CA 2.345 58.342 56.048 -0.086 0.000 1.266 330 H CB 0.262 29.979 29.762 -0.075 0.000 1.363 330 H HN 0.628 nan 8.280 nan 0.000 0.492 331 N N 0.174 118.862 118.700 -0.020 0.000 2.383 331 N HA 0.125 4.865 4.740 -0.000 0.000 0.192 331 N C -0.289 175.122 175.510 -0.165 0.000 1.141 331 N CA 0.134 53.121 53.050 -0.106 0.000 0.851 331 N CB 0.298 38.739 38.487 -0.078 0.000 0.976 331 N HN 0.290 nan 8.380 nan 0.000 0.465 332 A N 0.517 123.253 122.820 -0.140 0.000 2.520 332 A HA 0.399 4.719 4.320 -0.000 0.000 0.245 332 A C 0.978 178.506 177.584 -0.092 0.000 1.072 332 A CA 0.173 52.124 52.037 -0.143 0.000 0.761 332 A CB 0.512 19.474 19.000 -0.063 0.000 1.004 332 A HN 0.313 nan 8.150 nan 0.000 0.499 333 A N 2.500 125.291 122.820 -0.048 0.000 2.026 333 A HA 0.638 4.958 4.320 -0.000 0.000 0.198 333 A C 0.520 178.126 177.584 0.037 0.000 1.390 333 A CA 0.802 52.878 52.037 0.065 0.000 0.915 333 A CB 0.182 19.342 19.000 0.267 0.000 0.974 333 A HN 1.115 nan 8.150 nan 0.000 0.477 334 I N -1.054 119.524 120.570 0.013 0.000 2.882 334 I HA 0.308 4.478 4.170 -0.000 0.000 0.298 334 I C -1.971 174.131 176.117 -0.024 0.000 1.462 334 I CA -0.538 60.725 61.300 -0.060 0.000 1.000 334 I CB 2.152 40.088 38.000 -0.107 0.000 1.340 334 I HN 0.266 nan 8.210 nan 0.000 0.462 335 Q N 4.815 124.566 119.800 -0.081 0.000 2.337 335 Q HA 0.363 4.703 4.340 -0.000 0.000 0.266 335 Q C -1.111 174.721 176.000 -0.280 0.000 1.023 335 Q CA -0.621 55.123 55.803 -0.097 0.000 0.829 335 Q CB 1.867 30.566 28.738 -0.066 0.000 1.306 335 Q HN 0.582 nan 8.270 nan 0.000 0.449 336 E N 3.112 123.080 120.200 -0.386 0.000 2.316 336 E HA -0.006 4.344 4.350 -0.000 0.000 0.275 336 E C -0.869 175.467 176.600 -0.441 0.000 1.029 336 E CA -0.345 55.561 56.400 -0.823 0.000 0.871 336 E CB 0.656 30.022 29.700 -0.556 0.000 1.022 336 E HN 0.630 nan 8.360 nan 0.000 0.418 337 H N 3.655 122.368 119.070 -0.595 0.000 2.732 337 H HA 0.199 4.755 4.556 -0.000 0.000 0.351 337 H C -1.117 174.071 175.328 -0.232 0.000 1.090 337 H CA -0.217 55.621 56.048 -0.349 0.000 1.431 337 H CB 0.779 30.292 29.762 -0.415 0.000 1.447 337 H HN 0.233 nan 8.280 nan 0.000 0.582 338 V N 6.893 126.260 119.914 -0.912 0.000 2.525 338 V HA 0.008 4.128 4.120 -0.000 0.000 0.299 338 V C 1.125 176.389 176.094 -1.382 0.000 1.034 338 V CA -0.732 61.016 62.300 -0.919 0.000 0.863 338 V CB 1.590 33.021 31.823 -0.653 0.000 0.999 338 V HN 0.906 nan 8.190 nan 0.000 0.423 339 E N 5.238 124.886 120.200 -0.919 0.000 2.019 339 E HA -0.234 4.116 4.350 -0.000 0.000 0.208 339 E C -0.078 176.224 176.600 -0.496 0.000 1.030 339 E CA 1.488 57.576 56.400 -0.520 0.000 0.856 339 E CB -0.455 29.146 29.700 -0.165 0.000 0.781 339 E HN 0.742 nan 8.360 nan 0.000 0.471 340 Y N 1.003 121.243 120.300 -0.101 0.000 2.680 340 Y HA -0.219 4.331 4.550 -0.000 0.000 0.041 340 Y C 0.567 176.499 175.900 0.052 0.000 1.876 340 Y CA -0.120 57.897 58.100 -0.137 0.000 1.286 340 Y CB -1.940 36.224 38.460 -0.494 0.000 1.942 340 Y HN 0.504 nan 8.280 nan 0.000 0.280 341 N N 1.486 120.299 118.700 0.189 0.000 2.366 341 N HA 0.471 5.211 4.740 -0.000 0.000 0.277 341 N C 1.232 176.889 175.510 0.245 0.000 1.275 341 N CA -0.220 52.938 53.050 0.181 0.000 0.964 341 N CB 0.424 38.960 38.487 0.081 0.000 1.167 341 N HN 0.591 nan 8.380 nan 0.000 0.568 342 G N -0.465 108.438 108.800 0.171 0.000 2.402 342 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.216 342 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.216 342 G C 1.196 176.163 174.900 0.111 0.000 1.162 342 G CA 0.409 45.607 45.100 0.163 0.000 0.777 342 G HN 0.605 nan 8.290 nan 0.000 0.539 343 N N 0.785 119.484 118.700 -0.003 0.000 2.021 343 N HA -0.144 4.596 4.740 -0.000 0.000 0.198 343 N C 2.333 177.755 175.510 -0.148 0.000 1.041 343 N CA 2.024 54.949 53.050 -0.207 0.000 0.862 343 N CB -1.052 37.121 38.487 -0.524 0.000 1.048 343 N HN 0.258 nan 8.380 nan 0.000 0.427 344 T N 1.131 115.648 114.554 -0.062 0.000 2.708 344 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 344 T C 1.613 176.346 174.700 0.056 0.000 1.037 344 T CA 1.033 63.148 62.100 0.024 0.000 1.146 344 T CB -0.420 68.456 68.868 0.014 0.000 0.865 344 T HN 0.375 nan 8.240 nan 0.000 0.435 345 H N 0.741 119.846 119.070 0.058 0.000 2.422 345 H HA -0.024 4.532 4.556 -0.000 0.000 0.298 345 H C 2.437 177.787 175.328 0.037 0.000 1.098 345 H CA 1.509 57.581 56.048 0.041 0.000 1.315 345 H CB -0.014 29.779 29.762 0.051 0.000 1.382 345 H HN 0.318 nan 8.280 nan 0.000 0.523 346 K N 0.669 121.155 120.400 0.144 0.000 2.025 346 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 346 K C 2.196 178.804 176.600 0.013 0.000 1.049 346 K CA 0.984 57.325 56.287 0.091 0.000 0.933 346 K CB -0.025 32.550 32.500 0.124 0.000 0.714 346 K HN -0.054 nan 8.250 nan 0.000 0.438 347 V N 0.553 120.436 119.914 -0.051 0.000 2.469 347 V HA -0.152 3.968 4.120 -0.000 0.000 0.251 347 V C 0.460 176.149 176.094 -0.675 0.000 1.064 347 V CA 1.383 63.481 62.300 -0.336 0.000 1.066 347 V CB -0.504 31.073 31.823 -0.411 0.000 0.667 347 V HN 0.187 nan 8.190 nan 0.000 0.461 348 F N -0.132 119.761 119.950 -0.095 0.000 2.686 348 F HA 0.478 5.005 4.527 -0.000 0.000 0.365 348 F C -2.576 173.155 175.800 -0.115 0.000 1.196 348 F CA -2.494 55.420 58.000 -0.143 0.000 1.198 348 F CB 0.502 39.370 39.000 -0.220 0.000 1.454 348 F HN -0.040 nan 8.300 nan 0.000 0.539 349 P HA 0.062 nan 4.420 nan 0.000 0.267 349 P C 0.086 177.418 177.300 0.054 0.000 1.200 349 P CA 0.413 63.542 63.100 0.049 0.000 0.772 349 P CB 0.422 32.125 31.700 0.005 0.000 0.855 350 N N -1.732 117.014 118.700 0.077 0.000 2.829 350 N HA -0.175 4.565 4.740 -0.000 0.000 0.250 350 N C -0.322 175.233 175.510 0.075 0.000 1.090 350 N CA 1.093 54.185 53.050 0.069 0.000 0.781 350 N CB -1.845 36.668 38.487 0.044 0.000 1.124 350 N HN 0.564 nan 8.380 nan 0.000 0.559 351 A N 0.077 122.950 122.820 0.088 0.000 2.404 351 A HA 0.656 4.976 4.320 -0.000 0.000 0.273 351 A C 0.994 178.663 177.584 0.141 0.000 1.144 351 A CA 0.348 52.397 52.037 0.020 0.000 0.806 351 A CB 0.395 19.256 19.000 -0.232 0.000 1.080 351 A HN 0.499 nan 8.150 nan 0.000 0.509 352 A N 3.178 126.074 122.820 0.127 0.000 2.425 352 A HA 0.541 4.861 4.320 -0.000 0.000 0.242 352 A C 0.316 178.045 177.584 0.242 0.000 1.077 352 A CA -0.094 52.043 52.037 0.167 0.000 0.781 352 A CB 0.205 19.286 19.000 0.134 0.000 1.020 352 A HN 0.809 nan 8.150 nan 0.000 0.494 353 E N 0.599 120.937 120.200 0.230 0.000 2.288 353 E HA 0.428 4.778 4.350 -0.000 0.000 0.268 353 E C -2.771 173.959 176.600 0.217 0.000 0.885 353 E CA -1.888 54.664 56.400 0.253 0.000 0.767 353 E CB 1.293 31.147 29.700 0.257 0.000 1.220 353 E HN 0.388 nan 8.360 nan 0.000 0.427 354 P HA 0.147 nan 4.420 nan 0.000 0.265 354 P C -0.474 176.891 177.300 0.108 0.000 1.193 354 P CA 0.325 63.524 63.100 0.164 0.000 0.765 354 P CB 0.347 32.140 31.700 0.154 0.000 0.823 355 I N 2.626 123.292 120.570 0.159 0.000 2.382 355 I HA 0.214 4.384 4.170 -0.000 0.000 0.286 355 I C 0.589 176.783 176.117 0.129 0.000 1.002 355 I CA -0.679 60.696 61.300 0.126 0.000 1.135 355 I CB 0.984 39.082 38.000 0.164 0.000 1.288 355 I HN 0.348 nan 8.210 nan 0.000 0.448 356 N N 5.125 123.824 118.700 -0.002 0.000 2.710 356 N HA -0.220 4.520 4.740 -0.000 0.000 0.249 356 N C 0.739 176.240 175.510 -0.016 0.000 1.059 356 N CA 1.331 54.376 53.050 -0.008 0.000 0.720 356 N CB -0.655 37.884 38.487 0.086 0.000 0.983 356 N HN 1.138 nan 8.380 nan 0.000 0.544 357 G N -2.571 106.050 108.800 -0.299 0.000 2.132 357 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.234 357 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.234 357 G C -0.358 174.274 174.900 -0.446 0.000 0.989 357 G CA 0.394 45.213 45.100 -0.467 0.000 0.676 357 G HN 0.521 nan 8.290 nan 0.000 0.522 358 Y N -1.168 119.082 120.300 -0.083 0.000 2.477 358 Y HA 0.693 5.243 4.550 -0.000 0.000 0.347 358 Y C 0.374 176.221 175.900 -0.089 0.000 0.981 358 Y CA -1.050 56.977 58.100 -0.121 0.000 1.033 358 Y CB 1.795 40.118 38.460 -0.229 0.000 1.245 358 Y HN 0.100 nan 8.280 nan 0.000 0.455 359 L N 3.427 124.644 121.223 -0.009 0.000 2.307 359 L HA 0.448 4.788 4.340 -0.000 0.000 0.284 359 L C -1.279 175.497 176.870 -0.157 0.000 1.023 359 L CA -0.783 54.064 54.840 0.012 0.000 0.810 359 L CB 0.952 43.022 42.059 0.018 0.000 1.231 359 L HN 0.600 nan 8.230 nan 0.000 0.423 360 Y N 1.836 122.159 120.300 0.038 0.000 2.330 360 Y HA 0.501 5.051 4.550 -0.000 0.000 0.336 360 Y C 0.704 176.573 175.900 -0.052 0.000 1.036 360 Y CA -0.549 57.550 58.100 -0.002 0.000 1.125 360 Y CB 1.637 40.102 38.460 0.008 0.000 1.194 360 Y HN 0.606 nan 8.280 nan 0.000 0.469 361 A N 2.233 125.042 122.820 -0.018 0.000 2.445 361 A HA 0.296 4.616 4.320 -0.000 0.000 0.242 361 A C 0.547 178.133 177.584 0.003 0.000 1.075 361 A CA -0.218 51.727 52.037 -0.155 0.000 0.777 361 A CB 0.041 18.865 19.000 -0.294 0.000 1.013 361 A HN 0.719 nan 8.150 nan 0.000 0.493 362 S N 0.240 115.907 115.700 -0.055 0.000 2.572 362 S HA 0.140 4.610 4.470 -0.000 0.000 0.279 362 S C 0.517 175.277 174.600 0.266 0.000 1.341 362 S CA -0.050 58.224 58.200 0.122 0.000 1.043 362 S CB 0.326 63.614 63.200 0.146 0.000 0.887 362 S HN 0.621 nan 8.310 nan 0.000 0.516 363 E N 2.263 122.574 120.200 0.186 0.000 2.526 363 E HA 0.200 4.550 4.350 -0.000 0.000 0.208 363 E C 0.580 177.239 176.600 0.099 0.000 0.997 363 E CA -0.057 56.441 56.400 0.163 0.000 0.961 363 E CB 0.135 29.912 29.700 0.128 0.000 1.030 363 E HN 0.813 nan 8.360 nan 0.000 0.483 364 I N -1.553 119.072 120.570 0.091 0.000 2.970 364 I HA 0.539 4.709 4.170 -0.000 0.000 0.310 364 I C 0.554 176.694 176.117 0.039 0.000 1.010 364 I CA -1.093 60.241 61.300 0.056 0.000 1.228 364 I CB 0.770 38.802 38.000 0.053 0.000 1.433 364 I HN -0.249 nan 8.210 nan 0.000 0.573 365 A N 2.846 125.676 122.820 0.017 0.000 2.520 365 A HA 0.507 4.826 4.320 -0.000 0.000 0.235 365 A C 0.827 178.411 177.584 0.000 0.000 1.065 365 A CA 0.681 52.713 52.037 -0.008 0.000 0.764 365 A CB -1.084 17.917 19.000 0.001 0.000 1.002 365 A HN 1.923 nan 8.150 nan 0.000 0.502 366 G N 0.356 109.131 108.800 -0.041 0.000 2.615 366 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 366 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 366 G C 0.652 175.516 174.900 -0.060 0.000 1.339 366 G CA -0.051 45.037 45.100 -0.021 0.000 0.884 366 G HN 0.968 nan 8.290 nan 0.000 0.559 367 I N 1.224 121.812 120.570 0.029 0.000 2.226 367 I HA 0.112 4.282 4.170 -0.000 0.000 0.245 367 I C 2.603 178.869 176.117 0.248 0.000 1.100 367 I CA 2.281 63.647 61.300 0.110 0.000 1.374 367 I CB -0.487 37.609 38.000 0.160 0.000 1.057 367 I HN 2.034 nan 8.210 nan 0.000 0.413 368 G N 0.331 109.220 108.800 0.149 0.000 2.195 368 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.224 368 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.224 368 G C 0.152 175.096 174.900 0.074 0.000 0.990 368 G CA 0.008 45.183 45.100 0.125 0.000 0.639 368 G HN 0.177 nan 8.290 nan 0.000 0.514 369 V N 1.202 121.152 119.914 0.061 0.000 2.588 369 V HA 0.692 4.811 4.120 -0.000 0.000 0.304 369 V C -0.058 175.984 176.094 -0.086 0.000 1.042 369 V CA -0.810 61.492 62.300 0.004 0.000 0.877 369 V CB 1.760 33.592 31.823 0.014 0.000 0.996 369 V HN 0.410 nan 8.190 nan 0.000 0.425 370 E N 3.038 123.095 120.200 -0.237 0.000 2.412 370 E HA 0.624 4.973 4.350 -0.000 0.000 0.255 370 E C -1.080 175.283 176.600 -0.395 0.000 0.933 370 E CA -1.022 54.969 56.400 -0.681 0.000 0.823 370 E CB 3.106 32.121 29.700 -1.141 0.000 1.352 370 E HN 0.556 nan 8.360 nan 0.000 0.406 371 I N 1.165 121.396 120.570 -0.564 0.000 2.404 371 I HA 0.146 4.316 4.170 -0.000 0.000 0.293 371 I C -0.800 175.124 176.117 -0.321 0.000 0.992 371 I CA -0.512 60.540 61.300 -0.414 0.000 1.149 371 I CB 1.120 38.977 38.000 -0.237 0.000 1.315 371 I HN 0.437 nan 8.210 nan 0.000 0.446 372 D N 7.150 127.358 120.400 -0.320 0.000 2.352 372 D HA 0.052 4.692 4.640 -0.000 0.000 0.245 372 D C 0.939 177.156 176.300 -0.139 0.000 1.224 372 D CA -0.147 53.747 54.000 -0.176 0.000 0.879 372 D CB 1.146 41.865 40.800 -0.135 0.000 1.057 372 D HN 0.587 nan 8.370 nan 0.000 0.491 373 R N 3.096 123.552 120.500 -0.074 0.000 2.096 373 R HA -0.171 4.169 4.340 -0.000 0.000 0.235 373 R C 1.439 177.708 176.300 -0.053 0.000 1.127 373 R CA 1.714 57.784 56.100 -0.049 0.000 0.968 373 R CB 0.212 30.499 30.300 -0.021 0.000 0.861 373 R HN 0.419 nan 8.270 nan 0.000 0.440 374 E N 0.042 120.212 120.200 -0.050 0.000 2.031 374 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 374 E C 1.957 178.522 176.600 -0.059 0.000 0.994 374 E CA 1.540 57.909 56.400 -0.051 0.000 0.800 374 E CB -0.552 29.122 29.700 -0.043 0.000 0.752 374 E HN 0.416 nan 8.360 nan 0.000 0.447 375 A N 1.260 124.055 122.820 -0.042 0.000 1.908 375 A HA -0.142 4.177 4.320 -0.000 0.000 0.218 375 A C 2.393 180.019 177.584 0.070 0.000 1.181 375 A CA 2.099 54.143 52.037 0.011 0.000 0.627 375 A CB -0.987 18.036 19.000 0.039 0.000 0.818 375 A HN 0.291 nan 8.150 nan 0.000 0.445 376 A N -0.401 122.424 122.820 0.009 0.000 2.015 376 A HA 0.229 4.549 4.320 -0.000 0.000 0.219 376 A C 2.411 180.023 177.584 0.047 0.000 1.163 376 A CA 1.756 53.826 52.037 0.055 0.000 0.646 376 A CB -0.834 18.138 19.000 -0.047 0.000 0.806 376 A HN 1.021 nan 8.150 nan 0.000 0.448 377 A N 0.581 123.381 122.820 -0.034 0.000 1.865 377 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 377 A C 1.761 179.245 177.584 -0.167 0.000 1.191 377 A CA 1.640 53.632 52.037 -0.076 0.000 0.623 377 A CB -0.705 18.245 19.000 -0.084 0.000 0.826 377 A HN 0.638 nan 8.150 nan 0.000 0.444 378 E N -1.577 118.415 120.200 -0.347 0.000 2.393 378 E HA -0.172 4.178 4.350 -0.000 0.000 0.201 378 E C -0.560 175.548 176.600 -0.821 0.000 1.025 378 E CA 0.754 56.723 56.400 -0.719 0.000 0.856 378 E CB -0.240 28.733 29.700 -1.211 0.000 0.771 378 E HN 0.710 nan 8.360 nan 0.000 0.526 379 F N -0.050 119.897 119.950 -0.005 0.000 2.593 379 F HA 0.276 4.803 4.527 -0.000 0.000 0.336 379 F C -2.257 173.552 175.800 0.015 0.000 1.491 379 F CA -2.524 55.481 58.000 0.008 0.000 1.114 379 F CB 0.735 39.745 39.000 0.017 0.000 1.468 379 F HN -0.137 nan 8.300 nan 0.000 0.579 380 P HA 0.000 nan 4.420 nan 0.000 0.216 380 P CA 0.000 63.149 63.100 0.081 0.000 0.800 380 P CB 0.000 31.720 31.700 0.033 0.000 0.726