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_B 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 -0.004 0.000 1.055 2 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 2 S CB 0.000 63.200 63.200 -0.001 0.000 0.593 3 L N 2.995 124.214 121.223 -0.007 0.000 2.334 3 L HA 0.789 5.129 4.340 -0.000 0.000 0.277 3 L C -0.236 176.627 176.870 -0.011 0.000 1.075 3 L CA -0.007 54.827 54.840 -0.010 0.000 0.804 3 L CB 1.005 43.055 42.059 -0.015 0.000 1.174 3 L HN 0.378 nan 8.230 nan 0.000 0.438 4 K N 2.334 122.726 120.400 -0.012 0.000 2.280 4 K HA 0.507 4.827 4.320 -0.000 0.000 0.234 4 K C -0.714 175.876 176.600 -0.017 0.000 1.028 4 K CA -0.920 55.360 56.287 -0.012 0.000 0.882 4 K CB 0.803 33.298 32.500 -0.009 0.000 1.194 4 K HN 0.544 nan 8.250 nan 0.000 0.458 5 E N 0.907 121.098 120.200 -0.016 0.000 2.508 5 E HA -0.052 4.298 4.350 -0.000 0.000 0.266 5 E C -0.600 175.987 176.600 -0.022 0.000 1.010 5 E CA 0.740 57.129 56.400 -0.020 0.000 0.955 5 E CB 0.305 29.995 29.700 -0.017 0.000 0.946 5 E HN 0.389 nan 8.360 nan 0.000 0.454 6 T N 3.903 118.440 114.554 -0.028 0.000 2.893 6 T HA 0.280 4.630 4.350 -0.000 0.000 0.324 6 T C -0.073 174.609 174.700 -0.030 0.000 1.082 6 T CA -0.681 61.401 62.100 -0.029 0.000 0.983 6 T CB 0.260 69.106 68.868 -0.036 0.000 1.005 6 T HN 0.205 nan 8.240 nan 0.000 0.475 7 I N 4.028 124.583 120.570 -0.025 0.000 2.352 7 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 7 I C 0.716 176.814 176.117 -0.031 0.000 1.036 7 I CA -1.007 60.278 61.300 -0.026 0.000 1.336 7 I CB 0.369 38.357 38.000 -0.020 0.000 1.407 7 I HN 0.580 nan 8.210 nan 0.000 0.497 8 I N 5.923 126.472 120.570 -0.035 0.000 2.618 8 I HA -0.047 4.123 4.170 -0.000 0.000 0.284 8 I C 1.343 177.433 176.117 -0.045 0.000 1.146 8 I CA 0.463 61.736 61.300 -0.045 0.000 1.425 8 I CB 0.740 38.712 38.000 -0.048 0.000 1.383 8 I HN 0.748 nan 8.210 nan 0.000 0.562 9 S N 2.240 117.909 115.700 -0.052 0.000 2.554 9 S HA 0.261 4.731 4.470 -0.000 0.000 0.227 9 S C 0.083 174.645 174.600 -0.065 0.000 1.050 9 S CA -0.308 57.866 58.200 -0.044 0.000 0.927 9 S CB 0.535 63.719 63.200 -0.027 0.000 0.859 9 S HN 0.693 nan 8.310 nan 0.000 0.494 10 D N 0.088 120.422 120.400 -0.110 0.000 2.648 10 D HA 0.563 5.203 4.640 -0.000 0.000 0.244 10 D C -2.016 174.088 176.300 -0.326 0.000 1.244 10 D CA -0.518 53.358 54.000 -0.206 0.000 0.772 10 D CB 2.184 42.875 40.800 -0.182 0.000 1.379 10 D HN 0.332 nan 8.370 nan 0.000 0.428 11 I N -0.280 120.015 120.570 -0.458 0.000 2.656 11 I HA 0.608 4.778 4.170 -0.000 0.000 0.292 11 I C -1.674 174.111 176.117 -0.554 0.000 1.144 11 I CA -0.210 60.840 61.300 -0.417 0.000 1.038 11 I CB 2.083 39.979 38.000 -0.173 0.000 1.244 11 I HN 0.281 nan 8.210 nan 0.000 0.420 12 H N 4.298 123.363 119.070 -0.008 0.000 2.797 12 H HA 0.590 5.146 4.556 -0.000 0.000 0.372 12 H C -1.261 174.090 175.328 0.039 0.000 1.168 12 H CA -0.860 55.196 56.048 0.014 0.000 1.163 12 H CB 2.154 31.927 29.762 0.017 0.000 1.778 12 H HN 0.863 nan 8.280 nan 0.000 0.551 13 C N 3.800 123.209 119.300 0.182 0.000 2.383 13 C HA 0.525 4.985 4.460 -0.000 0.000 0.330 13 C C -0.391 174.683 174.990 0.139 0.000 1.168 13 C CA -0.462 58.642 59.018 0.144 0.000 1.374 13 C CB -1.412 26.395 27.740 0.111 0.000 2.014 13 C HN 0.610 nan 8.230 nan 0.000 0.439 14 I N 7.267 127.929 120.570 0.153 0.000 2.339 14 I HA 0.414 4.584 4.170 -0.000 0.000 0.290 14 I C -0.134 176.070 176.117 0.145 0.000 0.994 14 I CA -0.311 61.070 61.300 0.135 0.000 1.191 14 I CB 1.284 39.366 38.000 0.136 0.000 1.343 14 I HN 0.503 nan 8.210 nan 0.000 0.458 15 I N 5.991 126.634 120.570 0.121 0.000 2.353 15 I HA 0.375 4.545 4.170 -0.000 0.000 0.293 15 I C -0.123 176.075 176.117 0.135 0.000 0.992 15 I CA -0.035 61.341 61.300 0.127 0.000 1.268 15 I CB 1.541 39.602 38.000 0.101 0.000 1.387 15 I HN 0.547 nan 8.210 nan 0.000 0.478 16 T N 5.094 119.745 114.554 0.162 0.000 2.903 16 T HA 0.359 4.709 4.350 -0.000 0.000 0.299 16 T C -0.361 174.435 174.700 0.160 0.000 1.093 16 T CA -0.901 61.307 62.100 0.180 0.000 1.002 16 T CB 2.353 71.336 68.868 0.191 0.000 1.127 16 T HN 0.476 nan 8.240 nan 0.000 0.488 17 K N 2.439 122.940 120.400 0.168 0.000 2.954 17 K HA 0.263 4.583 4.320 -0.000 0.000 0.171 17 K C -2.025 174.547 176.600 -0.046 0.000 1.079 17 K CA -2.046 54.299 56.287 0.098 0.000 0.908 17 K CB 0.890 33.462 32.500 0.120 0.000 1.142 17 K HN 0.261 nan 8.250 nan 0.000 0.613 18 P HA -0.036 nan 4.420 nan 0.000 0.233 18 P C -0.007 177.055 177.300 -0.395 0.000 1.167 18 P CA 0.874 63.432 63.100 -0.903 0.000 0.770 18 P CB 0.560 31.846 31.700 -0.690 0.000 0.837 19 D N -1.409 118.912 120.400 -0.131 0.000 3.808 19 D HA 0.167 4.807 4.640 -0.000 0.000 0.179 19 D C 1.280 177.582 176.300 0.003 0.000 1.365 19 D CA -0.256 53.726 54.000 -0.029 0.000 1.305 19 D CB 0.066 40.885 40.800 0.032 0.000 1.303 19 D HN -0.403 nan 8.370 nan 0.000 0.438 20 R N -0.436 120.080 120.500 0.027 0.000 2.265 20 R HA 0.201 4.541 4.340 -0.000 0.000 0.194 20 R C 0.077 176.224 176.300 -0.254 0.000 0.931 20 R CA 0.357 56.389 56.100 -0.114 0.000 1.032 20 R CB -0.206 29.987 30.300 -0.177 0.000 0.980 20 R HN 0.460 nan 8.270 nan 0.000 0.497 21 H N 0.444 119.521 119.070 0.011 0.000 2.621 21 H HA 0.280 4.836 4.556 -0.000 0.000 0.360 21 H C -0.437 174.912 175.328 0.035 0.000 1.163 21 H CA -0.932 55.128 56.048 0.019 0.000 1.194 21 H CB 1.390 31.163 29.762 0.018 0.000 1.649 21 H HN -0.062 nan 8.280 nan 0.000 0.532 22 N N 1.945 120.739 118.700 0.157 0.000 2.452 22 N HA 0.153 4.893 4.740 -0.000 0.000 0.266 22 N C -0.620 174.974 175.510 0.140 0.000 1.175 22 N CA -0.079 53.046 53.050 0.125 0.000 0.945 22 N CB 0.764 39.306 38.487 0.092 0.000 1.063 22 N HN 0.185 nan 8.380 nan 0.000 0.472 23 L N 3.509 124.818 121.223 0.142 0.000 2.305 23 L HA 0.523 4.863 4.340 -0.000 0.000 0.284 23 L C -0.444 176.524 176.870 0.162 0.000 1.013 23 L CA -0.752 54.169 54.840 0.136 0.000 0.819 23 L CB 1.106 43.257 42.059 0.152 0.000 1.227 23 L HN 0.410 nan 8.230 nan 0.000 0.417 24 I N 2.407 123.061 120.570 0.141 0.000 2.339 24 I HA 0.348 4.518 4.170 -0.000 0.000 0.290 24 I C -0.070 176.152 176.117 0.175 0.000 0.994 24 I CA -0.092 61.301 61.300 0.156 0.000 1.191 24 I CB 1.898 39.983 38.000 0.142 0.000 1.343 24 I HN 0.517 nan 8.210 nan 0.000 0.458 25 T N 5.602 120.288 114.554 0.219 0.000 2.807 25 T HA 0.482 4.832 4.350 -0.000 0.000 0.279 25 T C -0.279 174.555 174.700 0.224 0.000 0.993 25 T CA -0.466 61.791 62.100 0.260 0.000 0.970 25 T CB 1.934 71.029 68.868 0.378 0.000 0.950 25 T HN 0.149 nan 8.240 nan 0.000 0.441 26 V N 3.979 124.015 119.914 0.204 0.000 2.435 26 V HA 0.487 4.607 4.120 -0.000 0.000 0.290 26 V C -0.184 175.980 176.094 0.117 0.000 1.030 26 V CA -0.650 61.739 62.300 0.150 0.000 0.881 26 V CB 1.727 33.619 31.823 0.114 0.000 0.983 26 V HN 0.689 nan 8.190 nan 0.000 0.445 27 V N 5.620 125.570 119.914 0.060 0.000 2.417 27 V HA 0.493 4.613 4.120 -0.000 0.000 0.291 27 V C -0.250 175.760 176.094 -0.140 0.000 1.024 27 V CA -0.598 61.630 62.300 -0.121 0.000 0.861 27 V CB 1.874 33.699 31.823 0.004 0.000 0.985 27 V HN 0.586 nan 8.190 nan 0.000 0.436 28 V N 4.710 124.489 119.914 -0.224 0.000 2.384 28 V HA 0.458 4.578 4.120 -0.000 0.000 0.287 28 V C -0.052 175.937 176.094 -0.174 0.000 1.020 28 V CA -0.593 61.608 62.300 -0.165 0.000 0.850 28 V CB 1.624 33.384 31.823 -0.104 0.000 0.987 28 V HN 0.933 nan 8.190 nan 0.000 0.436 29 E N 2.333 122.456 120.200 -0.128 0.000 2.212 29 E HA 0.730 5.080 4.350 -0.000 0.000 0.270 29 E C -0.375 176.189 176.600 -0.061 0.000 0.956 29 E CA -0.591 55.761 56.400 -0.080 0.000 0.825 29 E CB 2.265 31.951 29.700 -0.025 0.000 1.167 29 E HN 0.825 nan 8.360 nan 0.000 0.400 30 T N -1.679 112.852 114.554 -0.040 0.000 2.896 30 T HA 0.258 4.608 4.350 -0.000 0.000 0.297 30 T C 0.437 175.127 174.700 -0.018 0.000 1.108 30 T CA -0.805 61.276 62.100 -0.032 0.000 1.004 30 T CB 1.178 70.027 68.868 -0.032 0.000 1.159 30 T HN 0.443 nan 8.240 nan 0.000 0.499 31 N N 0.677 119.367 118.700 -0.016 0.000 2.137 31 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 31 N C 1.414 176.921 175.510 -0.005 0.000 1.017 31 N CA 1.353 54.398 53.050 -0.009 0.000 0.859 31 N CB -0.025 38.456 38.487 -0.010 0.000 1.002 31 N HN 0.730 nan 8.380 nan 0.000 0.428 32 E N 0.206 120.403 120.200 -0.006 0.000 2.516 32 E HA -0.019 4.331 4.350 -0.000 0.000 0.199 32 E C 1.291 177.893 176.600 0.004 0.000 1.069 32 E CA 0.751 57.150 56.400 -0.002 0.000 0.876 32 E CB -0.251 29.446 29.700 -0.004 0.000 0.843 32 E HN 0.430 nan 8.360 nan 0.000 0.530 33 G N 0.785 109.588 108.800 0.004 0.000 2.143 33 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.249 33 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.249 33 G C 0.234 175.145 174.900 0.018 0.000 0.981 33 G CA 0.307 45.415 45.100 0.013 0.000 0.665 33 G HN 0.229 nan 8.290 nan 0.000 0.528 34 V N 1.759 121.678 119.914 0.009 0.000 2.385 34 V HA 0.559 4.679 4.120 -0.000 0.000 0.269 34 V C 0.626 176.718 176.094 -0.003 0.000 1.043 34 V CA 0.255 62.564 62.300 0.015 0.000 0.906 34 V CB 1.373 33.202 31.823 0.010 0.000 0.995 34 V HN 0.303 nan 8.190 nan 0.000 0.467 35 T N 4.119 118.679 114.554 0.011 0.000 2.794 35 T HA 0.638 4.988 4.350 -0.000 0.000 0.280 35 T C 0.406 175.034 174.700 -0.121 0.000 0.987 35 T CA -0.334 61.710 62.100 -0.092 0.000 0.993 35 T CB 1.626 70.431 68.868 -0.104 0.000 0.939 35 T HN 0.876 nan 8.240 nan 0.000 0.449 36 G N 1.523 110.174 108.800 -0.248 0.000 2.417 36 G HA2 0.724 4.684 3.960 -0.000 0.000 0.334 36 G HA3 0.724 4.684 3.960 -0.000 0.000 0.334 36 G C -1.341 173.326 174.900 -0.387 0.000 1.150 36 G CA -0.627 44.395 45.100 -0.130 0.000 0.923 36 G HN 0.571 nan 8.290 nan 0.000 0.485 37 F N -0.183 119.827 119.950 0.099 0.000 2.563 37 F HA 0.751 5.278 4.527 -0.000 0.000 0.316 37 F C 0.695 176.566 175.800 0.118 0.000 1.076 37 F CA -0.488 57.581 58.000 0.115 0.000 0.921 37 F CB 2.936 42.013 39.000 0.128 0.000 1.209 37 F HN 0.757 nan 8.300 nan 0.000 0.462 38 G N -0.224 108.744 108.800 0.281 0.000 2.725 38 G HA2 0.520 4.480 3.960 -0.000 0.000 0.288 38 G HA3 0.520 4.480 3.960 -0.000 0.000 0.288 38 G C -2.224 172.785 174.900 0.182 0.000 1.399 38 G CA -0.829 44.395 45.100 0.208 0.000 0.859 38 G HN 0.850 nan 8.290 nan 0.000 0.479 39 C N 0.323 119.702 119.300 0.132 0.000 2.417 39 C HA 0.895 5.355 4.460 -0.000 0.000 0.324 39 C C 0.541 175.590 174.990 0.099 0.000 1.240 39 C CA 0.118 59.196 59.018 0.099 0.000 1.632 39 C CB -0.020 27.748 27.740 0.047 0.000 2.241 39 C HN 1.116 nan 8.230 nan 0.000 0.499 40 A N 3.566 126.449 122.820 0.105 0.000 2.356 40 A HA 0.896 5.216 4.320 -0.000 0.000 0.323 40 A C -0.112 177.533 177.584 0.101 0.000 1.119 40 A CA -0.240 51.859 52.037 0.102 0.000 0.790 40 A CB 1.165 20.238 19.000 0.121 0.000 1.273 40 A HN 1.216 nan 8.150 nan 0.000 0.452 41 T N -1.200 113.408 114.554 0.091 0.000 2.930 41 T HA 0.604 4.954 4.350 -0.000 0.000 0.313 41 T C -1.381 173.410 174.700 0.152 0.000 1.019 41 T CA -0.259 61.905 62.100 0.106 0.000 1.004 41 T CB 0.499 69.415 68.868 0.079 0.000 0.987 41 T HN 0.652 nan 8.240 nan 0.000 0.456 42 F N 3.806 123.766 119.950 0.017 0.000 2.872 42 F HA 0.386 4.913 4.527 -0.000 0.000 0.365 42 F C 1.039 176.851 175.800 0.020 0.000 1.296 42 F CA -1.675 56.327 58.000 0.004 0.000 1.199 42 F CB 1.685 40.693 39.000 0.012 0.000 1.687 42 F HN 0.684 nan 8.300 nan 0.000 0.604 43 Q N 1.695 121.648 119.800 0.255 0.000 2.077 43 Q HA -0.241 4.099 4.340 -0.000 0.000 0.206 43 Q C 1.276 177.283 176.000 0.011 0.000 0.989 43 Q CA 2.484 58.370 55.803 0.138 0.000 0.853 43 Q CB 0.149 28.995 28.738 0.181 0.000 0.907 43 Q HN 0.621 nan 8.270 nan 0.000 0.418 44 Q N -0.649 119.116 119.800 -0.058 0.000 2.230 44 Q HA 0.058 4.398 4.340 -0.000 0.000 0.202 44 Q C 0.240 176.000 176.000 -0.399 0.000 0.963 44 Q CA 1.000 56.688 55.803 -0.193 0.000 0.866 44 Q CB 0.448 29.101 28.738 -0.142 0.000 0.931 44 Q HN 0.136 nan 8.270 nan 0.000 0.452 45 R N -0.197 119.873 120.500 -0.717 0.000 2.711 45 R HA 0.205 4.545 4.340 -0.000 0.000 0.350 45 R C -2.183 173.912 176.300 -0.342 0.000 1.146 45 R CA -1.295 54.377 56.100 -0.714 0.000 1.190 45 R CB 0.270 29.786 30.300 -1.307 0.000 1.312 45 R HN 0.162 nan 8.270 nan 0.000 0.635 46 P HA -0.133 nan 4.420 nan 0.000 0.216 46 P C 1.330 178.644 177.300 0.023 0.000 1.150 46 P CA 0.987 64.089 63.100 0.004 0.000 0.837 46 P CB 0.359 32.074 31.700 0.024 0.000 0.786 47 L N -0.757 120.461 121.223 -0.008 0.000 2.141 47 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 47 L C 2.793 179.680 176.870 0.028 0.000 1.094 47 L CA 1.304 56.152 54.840 0.013 0.000 0.763 47 L CB -1.258 40.798 42.059 -0.004 0.000 0.908 47 L HN -0.067 nan 8.230 nan 0.000 0.437 48 A N -0.011 122.815 122.820 0.009 0.000 1.908 48 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 48 A C 2.365 180.016 177.584 0.110 0.000 1.181 48 A CA 1.876 53.944 52.037 0.052 0.000 0.627 48 A CB -0.813 18.206 19.000 0.031 0.000 0.818 48 A HN 0.191 nan 8.150 nan 0.000 0.445 49 V N 0.154 120.148 119.914 0.134 0.000 2.358 49 V HA -0.245 3.875 4.120 -0.000 0.000 0.246 49 V C 2.561 178.728 176.094 0.122 0.000 1.047 49 V CA 2.404 64.798 62.300 0.158 0.000 1.035 49 V CB -0.575 31.363 31.823 0.192 0.000 0.658 49 V HN 0.758 nan 8.190 nan 0.000 0.452 50 K N -0.315 120.146 120.400 0.101 0.000 2.103 50 K HA -0.142 4.178 4.320 -0.000 0.000 0.204 50 K C 2.116 178.758 176.600 0.071 0.000 1.052 50 K CA 1.739 58.078 56.287 0.086 0.000 0.945 50 K CB -0.260 32.285 32.500 0.075 0.000 0.722 50 K HN 0.447 nan 8.250 nan 0.000 0.443 51 T N 1.390 115.986 114.554 0.070 0.000 2.746 51 T HA -0.192 4.158 4.350 -0.000 0.000 0.267 51 T C 1.649 176.412 174.700 0.104 0.000 1.039 51 T CA 1.692 63.829 62.100 0.063 0.000 1.142 51 T CB -0.211 68.703 68.868 0.078 0.000 0.866 51 T HN 0.247 nan 8.240 nan 0.000 0.444 52 M N 1.163 120.859 119.600 0.161 0.000 2.080 52 M HA -0.059 4.421 4.480 -0.000 0.000 0.260 52 M C 2.087 178.490 176.300 0.173 0.000 1.068 52 M CA 1.450 56.889 55.300 0.231 0.000 1.109 52 M CB -0.692 32.013 32.600 0.175 0.000 1.342 52 M HN 0.067 nan 8.290 nan 0.000 0.405 53 V N 0.397 120.375 119.914 0.108 0.000 2.270 53 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 53 V C 2.033 178.147 176.094 0.032 0.000 1.043 53 V CA 2.144 64.488 62.300 0.073 0.000 1.014 53 V CB -0.994 30.871 31.823 0.069 0.000 0.645 53 V HN 0.400 nan 8.190 nan 0.000 0.447 54 D N 0.138 120.546 120.400 0.014 0.000 2.097 54 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 54 D C 2.179 178.420 176.300 -0.099 0.000 0.989 54 D CA 1.632 55.615 54.000 -0.028 0.000 0.827 54 D CB -0.129 40.662 40.800 -0.015 0.000 0.966 54 D HN 0.662 nan 8.370 nan 0.000 0.456 55 E N -1.445 118.640 120.200 -0.193 0.000 2.276 55 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 55 E C 1.217 177.475 176.600 -0.569 0.000 0.983 55 E CA 0.423 56.555 56.400 -0.446 0.000 0.861 55 E CB 0.111 29.383 29.700 -0.714 0.000 0.817 55 E HN 0.340 nan 8.360 nan 0.000 0.485 56 Y N 0.214 120.522 120.300 0.014 0.000 2.609 56 Y HA 0.218 4.767 4.550 -0.000 0.000 0.281 56 Y C 1.994 177.896 175.900 0.004 0.000 1.132 56 Y CA -0.052 58.056 58.100 0.012 0.000 1.264 56 Y CB 0.049 38.521 38.460 0.019 0.000 1.325 56 Y HN -0.120 nan 8.280 nan 0.000 0.514 57 L N 0.326 121.632 121.223 0.138 0.000 2.027 57 L HA -0.179 4.161 4.340 -0.000 0.000 0.206 57 L C 2.527 179.413 176.870 0.026 0.000 1.074 57 L CA 1.530 56.412 54.840 0.070 0.000 0.745 57 L CB -0.463 41.628 42.059 0.054 0.000 0.898 57 L HN 0.152 nan 8.230 nan 0.000 0.433 58 K N 0.535 120.935 120.400 -0.000 0.000 2.009 58 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 58 K C -0.353 176.231 176.600 -0.026 0.000 1.049 58 K CA 1.707 57.975 56.287 -0.032 0.000 0.929 58 K CB -0.989 31.478 32.500 -0.056 0.000 0.714 58 K HN 0.178 nan 8.250 nan 0.000 0.440 59 P HA -0.138 nan 4.420 nan 0.000 0.218 59 P C 1.197 178.497 177.300 0.001 0.000 1.148 59 P CA 1.309 64.402 63.100 -0.011 0.000 0.822 59 P CB -0.243 31.453 31.700 -0.006 0.000 0.784 60 I N -6.164 114.414 120.570 0.013 0.000 3.861 60 I HA 0.148 4.318 4.170 -0.000 0.000 0.329 60 I C 0.952 177.068 176.117 -0.000 0.000 1.321 60 I CA 0.356 61.663 61.300 0.012 0.000 1.126 60 I CB -0.140 37.874 38.000 0.022 0.000 1.018 60 I HN -0.183 nan 8.210 nan 0.000 0.407 61 L N 0.641 121.858 121.223 -0.009 0.000 2.730 61 L HA 0.428 4.768 4.340 -0.000 0.000 0.236 61 L C 0.959 177.813 176.870 -0.027 0.000 1.061 61 L CA 0.255 55.084 54.840 -0.017 0.000 0.898 61 L CB 0.212 42.259 42.059 -0.020 0.000 1.270 61 L HN 0.078 nan 8.230 nan 0.000 0.500 62 I N 1.043 121.595 120.570 -0.031 0.000 2.752 62 I HA 0.234 4.404 4.170 -0.000 0.000 0.289 62 I C 1.619 177.721 176.117 -0.026 0.000 1.197 62 I CA 1.276 62.555 61.300 -0.035 0.000 1.432 62 I CB -0.643 37.336 38.000 -0.036 0.000 1.359 62 I HN 0.532 nan 8.210 nan 0.000 0.571 63 G N 5.113 113.897 108.800 -0.026 0.000 2.199 63 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.254 63 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.254 63 G C 0.487 175.375 174.900 -0.019 0.000 0.982 63 G CA -0.263 44.825 45.100 -0.020 0.000 0.632 63 G HN 0.502 nan 8.290 nan 0.000 0.529 64 K N 0.589 120.976 120.400 -0.021 0.000 2.154 64 K HA 0.302 4.622 4.320 -0.000 0.000 0.264 64 K C 0.093 176.678 176.600 -0.024 0.000 1.008 64 K CA -0.811 55.464 56.287 -0.020 0.000 0.937 64 K CB 0.725 33.214 32.500 -0.018 0.000 1.002 64 K HN 0.220 nan 8.250 nan 0.000 0.469 65 N N 1.270 119.956 118.700 -0.024 0.000 2.402 65 N HA 0.064 4.804 4.740 -0.000 0.000 0.252 65 N C 0.501 175.986 175.510 -0.041 0.000 1.118 65 N CA 0.045 53.078 53.050 -0.030 0.000 0.945 65 N CB 0.789 39.260 38.487 -0.026 0.000 1.147 65 N HN 0.526 nan 8.380 nan 0.000 0.495 66 A N 4.195 126.986 122.820 -0.048 0.000 2.076 66 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 66 A C 1.757 179.283 177.584 -0.097 0.000 1.160 66 A CA 1.080 53.077 52.037 -0.066 0.000 0.653 66 A CB -0.308 18.654 19.000 -0.063 0.000 0.801 66 A HN 0.731 nan 8.150 nan 0.000 0.455 67 N N 1.100 119.748 118.700 -0.086 0.000 2.223 67 N HA -0.082 4.658 4.740 -0.000 0.000 0.185 67 N C -0.104 175.327 175.510 -0.132 0.000 1.016 67 N CA 0.740 53.725 53.050 -0.107 0.000 0.863 67 N CB -0.398 38.045 38.487 -0.072 0.000 0.983 67 N HN 0.377 nan 8.380 nan 0.000 0.429 68 N N 1.346 119.989 118.700 -0.095 0.000 3.124 68 N HA 0.153 4.893 4.740 -0.000 0.000 0.284 68 N C 1.023 176.479 175.510 -0.090 0.000 1.209 68 N CA -0.052 52.949 53.050 -0.081 0.000 1.149 68 N CB 0.150 38.614 38.487 -0.038 0.000 1.434 68 N HN 0.265 nan 8.380 nan 0.000 0.529 69 I N 0.175 120.632 120.570 -0.188 0.000 2.226 69 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 69 I C 2.352 178.457 176.117 -0.020 0.000 1.100 69 I CA 1.286 62.459 61.300 -0.212 0.000 1.374 69 I CB 0.101 37.733 38.000 -0.613 0.000 1.057 69 I HN 0.390 nan 8.210 nan 0.000 0.413 70 E N 1.030 121.230 120.200 -0.000 0.000 2.072 70 E HA -0.275 4.075 4.350 -0.000 0.000 0.190 70 E C 1.792 178.504 176.600 0.187 0.000 0.982 70 E CA 1.482 57.961 56.400 0.132 0.000 0.803 70 E CB -0.029 29.726 29.700 0.091 0.000 0.755 70 E HN 0.359 nan 8.360 nan 0.000 0.453 71 D N 0.187 120.647 120.400 0.099 0.000 2.116 71 D HA -0.193 4.447 4.640 -0.000 0.000 0.193 71 D C 1.956 178.313 176.300 0.095 0.000 0.998 71 D CA 1.417 55.470 54.000 0.088 0.000 0.836 71 D CB -0.140 40.685 40.800 0.042 0.000 0.951 71 D HN 0.269 nan 8.370 nan 0.000 0.449 72 L N -0.968 120.304 121.223 0.082 0.000 2.093 72 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 72 L C 2.242 179.176 176.870 0.106 0.000 1.085 72 L CA 0.927 55.808 54.840 0.068 0.000 0.755 72 L CB -0.538 41.546 42.059 0.042 0.000 0.904 72 L HN 0.293 nan 8.230 nan 0.000 0.435 73 W N 1.259 122.568 121.300 0.014 0.000 2.335 73 W HA -0.312 4.348 4.660 -0.000 0.000 0.311 73 W C 2.788 179.333 176.519 0.043 0.000 1.213 73 W CA 2.097 59.468 57.345 0.042 0.000 1.274 73 W CB -0.150 29.352 29.460 0.070 0.000 1.148 73 W HN 0.113 nan 8.180 nan 0.000 0.498 74 Q N -0.202 119.713 119.800 0.193 0.000 2.079 74 Q HA -0.241 4.099 4.340 -0.000 0.000 0.200 74 Q C 2.382 178.331 176.000 -0.084 0.000 0.974 74 Q CA 2.313 58.150 55.803 0.056 0.000 0.840 74 Q CB -0.732 28.125 28.738 0.198 0.000 0.898 74 Q HN 0.302 nan 8.270 nan 0.000 0.430 75 M N -0.638 118.941 119.600 -0.035 0.000 2.117 75 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 75 M C 1.828 178.068 176.300 -0.100 0.000 1.065 75 M CA 1.638 56.908 55.300 -0.050 0.000 1.114 75 M CB -0.226 32.364 32.600 -0.017 0.000 1.361 75 M HN 0.418 nan 8.290 nan 0.000 0.408 76 M N -0.319 119.196 119.600 -0.142 0.000 2.117 76 M HA -0.236 4.244 4.480 -0.000 0.000 0.262 76 M C 2.032 178.191 176.300 -0.236 0.000 1.065 76 M CA 1.410 56.614 55.300 -0.160 0.000 1.114 76 M CB -0.408 32.096 32.600 -0.160 0.000 1.361 76 M HN 0.241 nan 8.290 nan 0.000 0.408 77 M N -0.032 119.315 119.600 -0.421 0.000 2.374 77 M HA -0.070 4.410 4.480 -0.000 0.000 0.264 77 M C 1.804 177.953 176.300 -0.251 0.000 1.067 77 M CA 1.212 56.240 55.300 -0.454 0.000 1.103 77 M CB -0.771 31.331 32.600 -0.831 0.000 1.402 77 M HN 0.333 nan 8.290 nan 0.000 0.444 78 V N -4.289 115.520 119.914 -0.176 0.000 3.528 78 V HA 0.176 4.296 4.120 -0.000 0.000 0.294 78 V C 1.496 177.561 176.094 -0.049 0.000 1.404 78 V CA 0.196 62.434 62.300 -0.103 0.000 1.065 78 V CB -0.701 31.081 31.823 -0.069 0.000 0.904 78 V HN 0.367 nan 8.190 nan 0.000 0.435 79 N N 1.858 120.524 118.700 -0.057 0.000 2.381 79 N HA -0.030 4.710 4.740 -0.000 0.000 0.182 79 N C 1.498 177.014 175.510 0.010 0.000 1.025 79 N CA 1.409 54.448 53.050 -0.019 0.000 0.888 79 N CB 0.248 38.722 38.487 -0.021 0.000 0.965 79 N HN 0.638 nan 8.380 nan 0.000 0.438 80 A N -0.508 122.318 122.820 0.009 0.000 2.307 80 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 80 A C 0.724 178.413 177.584 0.175 0.000 1.228 80 A CA -0.103 51.967 52.037 0.054 0.000 0.857 80 A CB -0.376 18.633 19.000 0.016 0.000 0.897 80 A HN 0.511 nan 8.150 nan 0.000 0.495 81 Y N -1.497 118.760 120.300 -0.071 0.000 2.716 81 Y HA -0.339 4.211 4.550 -0.000 0.000 0.483 81 Y C 0.356 176.082 175.900 -0.291 0.000 1.075 81 Y CA 1.616 59.576 58.100 -0.233 0.000 2.997 81 Y CB -1.381 36.848 38.460 -0.386 0.000 0.987 81 Y HN 0.446 nan 8.280 nan 0.000 0.578 82 W N 4.945 126.076 121.300 -0.282 0.000 2.137 82 W HA 0.412 5.072 4.660 -0.000 0.000 0.344 82 W C 0.861 177.264 176.519 -0.193 0.000 1.286 82 W CA 0.981 58.146 57.345 -0.300 0.000 1.240 82 W CB 0.484 29.835 29.460 -0.181 0.000 1.141 82 W HN 0.434 nan 8.180 nan 0.000 0.579 83 R N 0.827 121.340 120.500 0.021 0.000 2.747 83 R HA 0.317 4.657 4.340 -0.000 0.000 0.272 83 R C -0.703 175.585 176.300 -0.020 0.000 1.032 83 R CA -1.093 54.983 56.100 -0.039 0.000 0.896 83 R CB 0.519 30.751 30.300 -0.114 0.000 1.253 83 R HN 0.475 nan 8.270 nan 0.000 0.461 84 N N -0.665 118.019 118.700 -0.026 0.000 2.441 84 N HA -0.109 4.631 4.740 -0.000 0.000 0.292 84 N C -0.935 174.578 175.510 0.006 0.000 1.378 84 N CA 1.621 54.669 53.050 -0.004 0.000 0.651 84 N CB -0.650 37.821 38.487 -0.026 0.000 0.926 84 N HN 0.976 nan 8.380 nan 0.000 0.517 85 G N 0.581 109.388 108.800 0.011 0.000 2.576 85 G HA2 0.566 4.526 3.960 -0.000 0.000 0.290 85 G HA3 0.566 4.526 3.960 -0.000 0.000 0.290 85 G C -2.375 172.512 174.900 -0.021 0.000 1.442 85 G CA -0.741 44.362 45.100 0.004 0.000 0.792 85 G HN 0.071 nan 8.290 nan 0.000 0.491 86 P HA 0.021 nan 4.420 nan 0.000 0.222 86 P C 1.830 179.018 177.300 -0.187 0.000 1.153 86 P CA 0.654 63.594 63.100 -0.266 0.000 0.798 86 P CB 0.313 31.692 31.700 -0.536 0.000 0.796 87 V N 0.348 120.280 119.914 0.030 0.000 2.273 87 V HA -0.152 3.968 4.120 -0.000 0.000 0.242 87 V C 2.655 178.801 176.094 0.087 0.000 1.035 87 V CA 1.316 63.707 62.300 0.152 0.000 1.013 87 V CB -1.110 30.828 31.823 0.193 0.000 0.652 87 V HN -0.054 nan 8.190 nan 0.000 0.452 88 I N 0.891 121.493 120.570 0.052 0.000 2.208 88 I HA -0.251 3.919 4.170 -0.000 0.000 0.245 88 I C 2.348 178.480 176.117 0.025 0.000 1.097 88 I CA 1.680 62.999 61.300 0.032 0.000 1.363 88 I CB -0.508 37.494 38.000 0.002 0.000 1.051 88 I HN 0.356 nan 8.210 nan 0.000 0.413 89 N N 0.757 119.469 118.700 0.020 0.000 2.188 89 N HA -0.132 4.608 4.740 -0.000 0.000 0.184 89 N C 1.601 177.148 175.510 0.062 0.000 1.018 89 N CA 0.921 53.998 53.050 0.046 0.000 0.858 89 N CB -0.437 38.091 38.487 0.069 0.000 0.989 89 N HN 0.304 nan 8.380 nan 0.000 0.426 90 N N 0.772 119.491 118.700 0.032 0.000 2.084 90 N HA -0.073 4.667 4.740 -0.000 0.000 0.190 90 N C 1.571 177.133 175.510 0.086 0.000 1.030 90 N CA 1.233 54.312 53.050 0.048 0.000 0.849 90 N CB -0.176 38.329 38.487 0.031 0.000 1.012 90 N HN 0.211 nan 8.380 nan 0.000 0.423 91 A N 1.500 124.374 122.820 0.089 0.000 1.883 91 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 91 A C 2.345 179.982 177.584 0.087 0.000 1.186 91 A CA 1.058 53.152 52.037 0.094 0.000 0.624 91 A CB -0.731 18.325 19.000 0.094 0.000 0.822 91 A HN 0.238 nan 8.150 nan 0.000 0.444 92 I N 0.368 120.982 120.570 0.072 0.000 2.226 92 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 92 I C 2.948 179.159 176.117 0.157 0.000 1.100 92 I CA 1.586 62.931 61.300 0.074 0.000 1.374 92 I CB -0.241 37.752 38.000 -0.012 0.000 1.057 92 I HN 0.547 nan 8.210 nan 0.000 0.413 93 S N 0.980 116.781 115.700 0.169 0.000 2.368 93 S HA -0.142 4.328 4.470 -0.000 0.000 0.225 93 S C 2.180 176.878 174.600 0.163 0.000 1.030 93 S CA 1.367 59.683 58.200 0.193 0.000 0.999 93 S CB -1.081 62.206 63.200 0.145 0.000 0.844 93 S HN 0.480 nan 8.310 nan 0.000 0.459 94 G N 0.944 109.825 108.800 0.135 0.000 2.422 94 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.218 94 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.218 94 G C 1.468 176.448 174.900 0.134 0.000 1.146 94 G CA 0.960 46.139 45.100 0.132 0.000 0.769 94 G HN 0.500 nan 8.290 nan 0.000 0.547 95 V N 1.109 121.097 119.914 0.122 0.000 2.358 95 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 95 V C 2.444 178.626 176.094 0.148 0.000 1.047 95 V CA 2.238 64.601 62.300 0.105 0.000 1.035 95 V CB -0.433 31.438 31.823 0.079 0.000 0.658 95 V HN 0.432 nan 8.190 nan 0.000 0.452 96 D N -0.295 120.236 120.400 0.218 0.000 2.123 96 D HA -0.221 4.419 4.640 -0.000 0.000 0.196 96 D C 2.175 178.682 176.300 0.344 0.000 0.992 96 D CA 1.759 55.942 54.000 0.305 0.000 0.833 96 D CB -0.129 40.922 40.800 0.418 0.000 0.954 96 D HN 0.358 nan 8.370 nan 0.000 0.455 97 M N -0.174 119.591 119.600 0.275 0.000 2.132 97 M HA -0.086 4.394 4.480 -0.000 0.000 0.263 97 M C 2.358 178.812 176.300 0.256 0.000 1.065 97 M CA 1.403 56.867 55.300 0.272 0.000 1.122 97 M CB -0.212 32.499 32.600 0.185 0.000 1.365 97 M HN 0.106 nan 8.290 nan 0.000 0.411 98 A N 0.576 123.507 122.820 0.183 0.000 1.940 98 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 98 A C 2.099 179.736 177.584 0.088 0.000 1.176 98 A CA 1.388 53.496 52.037 0.119 0.000 0.631 98 A CB -0.925 18.099 19.000 0.041 0.000 0.814 98 A HN 0.462 nan 8.150 nan 0.000 0.446 99 L N -2.883 118.388 121.223 0.080 0.000 2.056 99 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 99 L C 2.584 179.440 176.870 -0.023 0.000 1.078 99 L CA 1.285 56.116 54.840 -0.016 0.000 0.749 99 L CB -0.547 41.462 42.059 -0.084 0.000 0.901 99 L HN 0.606 nan 8.230 nan 0.000 0.433 100 W N 0.606 121.930 121.300 0.040 0.000 2.402 100 W HA -0.197 4.463 4.660 0.000 0.000 0.286 100 W C 2.401 178.908 176.519 -0.021 0.000 1.221 100 W CA 1.049 58.407 57.345 0.023 0.000 1.257 100 W CB -0.179 29.320 29.460 0.064 0.000 1.120 100 W HN 0.220 nan 8.180 nan 0.000 0.551 101 D N 0.505 121.043 120.400 0.231 0.000 2.104 101 D HA -0.200 4.440 4.640 -0.000 0.000 0.194 101 D C 1.876 178.230 176.300 0.090 0.000 0.994 101 D CA 1.646 55.734 54.000 0.146 0.000 0.830 101 D CB -0.401 40.512 40.800 0.189 0.000 0.959 101 D HN 0.109 nan 8.370 nan 0.000 0.452 102 I N 0.153 120.760 120.570 0.062 0.000 2.208 102 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 102 I C 2.534 178.650 176.117 -0.001 0.000 1.097 102 I CA 1.150 62.461 61.300 0.018 0.000 1.363 102 I CB -0.216 37.775 38.000 -0.015 0.000 1.051 102 I HN 0.043 nan 8.210 nan 0.000 0.413 103 K N 1.082 121.473 120.400 -0.015 0.000 2.057 103 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 103 K C 2.166 178.764 176.600 -0.004 0.000 1.049 103 K CA 1.466 57.734 56.287 -0.031 0.000 0.931 103 K CB -0.105 32.342 32.500 -0.088 0.000 0.714 103 K HN 0.299 nan 8.250 nan 0.000 0.440 104 A N 1.327 124.154 122.820 0.011 0.000 1.898 104 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 104 A C 1.885 179.448 177.584 -0.034 0.000 1.181 104 A CA 1.499 53.509 52.037 -0.045 0.000 0.620 104 A CB -0.323 18.609 19.000 -0.114 0.000 0.819 104 A HN 0.292 nan 8.150 nan 0.000 0.442 105 K N -0.382 120.016 120.400 -0.004 0.000 2.032 105 K HA -0.085 4.235 4.320 -0.000 0.000 0.209 105 K C 1.853 178.453 176.600 0.000 0.000 1.048 105 K CA 1.516 57.809 56.287 0.008 0.000 0.927 105 K CB -0.393 32.128 32.500 0.035 0.000 0.712 105 K HN 0.460 nan 8.250 nan 0.000 0.441 106 L N 0.274 121.494 121.223 -0.005 0.000 2.056 106 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 106 L C 2.427 179.290 176.870 -0.011 0.000 1.078 106 L CA 0.954 55.789 54.840 -0.008 0.000 0.749 106 L CB -0.464 41.586 42.059 -0.015 0.000 0.901 106 L HN 0.204 nan 8.230 nan 0.000 0.433 107 A N -0.258 122.551 122.820 -0.017 0.000 2.172 107 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 107 A C 1.808 179.378 177.584 -0.024 0.000 1.154 107 A CA 0.993 53.017 52.037 -0.021 0.000 0.701 107 A CB -0.807 18.176 19.000 -0.028 0.000 0.789 107 A HN 0.578 nan 8.150 nan 0.000 0.465 108 G N -1.265 107.522 108.800 -0.021 0.000 2.160 108 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.251 108 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.251 108 G C 0.094 174.974 174.900 -0.035 0.000 1.008 108 G CA 0.792 45.881 45.100 -0.019 0.000 0.724 108 G HN 1.295 nan 8.290 nan 0.000 0.514 109 M N -2.408 117.155 119.600 -0.062 0.000 2.550 109 M HA 0.746 5.226 4.480 -0.000 0.000 0.292 109 M C -3.068 173.133 176.300 -0.164 0.000 1.221 109 M CA -2.686 52.552 55.300 -0.104 0.000 0.873 109 M CB 1.788 34.319 32.600 -0.115 0.000 1.727 109 M HN -0.139 nan 8.290 nan 0.000 0.459 110 P HA -0.007 nan 4.420 nan 0.000 0.267 110 P C 0.545 177.520 177.300 -0.541 0.000 1.200 110 P CA -0.355 62.573 63.100 -0.287 0.000 0.772 110 P CB 0.437 31.950 31.700 -0.313 0.000 0.855 111 L N 3.932 124.694 121.223 -0.768 0.000 2.043 111 L HA -0.239 4.101 4.340 -0.000 0.000 0.212 111 L C 2.250 178.418 176.870 -1.171 0.000 1.075 111 L CA 2.272 56.519 54.840 -0.989 0.000 0.752 111 L CB -1.593 39.797 42.059 -1.116 0.000 0.891 111 L HN 0.576 nan 8.230 nan 0.000 0.432 112 H N -2.974 115.654 119.070 -0.737 0.000 2.491 112 H HA -0.042 4.514 4.556 -0.000 0.000 0.290 112 H C 1.850 177.049 175.328 -0.215 0.000 1.050 112 H CA 1.083 56.929 56.048 -0.337 0.000 1.309 112 H CB -0.444 29.438 29.762 0.199 0.000 1.392 112 H HN 0.400 nan 8.280 nan 0.000 0.554 113 Q N 0.316 119.721 119.800 -0.657 0.000 2.172 113 Q HA -0.036 4.304 4.340 -0.000 0.000 0.200 113 Q C 2.354 178.237 176.000 -0.195 0.000 0.964 113 Q CA 0.736 56.361 55.803 -0.296 0.000 0.855 113 Q CB -0.255 28.307 28.738 -0.293 0.000 0.918 113 Q HN 0.470 nan 8.270 nan 0.000 0.444 114 L N 0.230 121.270 121.223 -0.305 0.000 2.012 114 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 114 L C 1.913 178.752 176.870 -0.051 0.000 1.073 114 L CA 1.701 56.437 54.840 -0.173 0.000 0.748 114 L CB -0.698 41.233 42.059 -0.213 0.000 0.891 114 L HN 0.032 nan 8.230 nan 0.000 0.431 115 F N 0.155 119.971 119.950 -0.223 0.000 2.333 115 F HA 0.132 4.659 4.527 -0.000 0.000 0.300 115 F C 2.163 177.800 175.800 -0.273 0.000 1.083 115 F CA 0.842 58.597 58.000 -0.408 0.000 1.395 115 F CB -0.945 37.434 39.000 -1.035 0.000 1.056 115 F HN 0.307 nan 8.300 nan 0.000 0.529 116 G N -1.742 107.094 108.800 0.060 0.000 2.559 116 G HA2 0.323 4.283 3.960 -0.000 0.000 0.202 116 G HA3 0.323 4.283 3.960 -0.000 0.000 0.202 116 G C 0.472 175.527 174.900 0.259 0.000 0.992 116 G CA -0.183 45.035 45.100 0.198 0.000 0.764 116 G HN 0.967 nan 8.290 nan 0.000 0.525 117 G N -0.616 108.367 108.800 0.305 0.000 2.371 117 G HA2 0.311 4.271 3.960 -0.000 0.000 0.663 117 G HA3 0.311 4.271 3.960 -0.000 0.000 0.663 117 G C -0.800 174.374 174.900 0.458 0.000 1.311 117 G CA -0.298 44.999 45.100 0.329 0.000 0.985 117 G HN 0.586 nan 8.290 nan 0.000 0.566 118 K N 0.052 120.646 120.400 0.322 0.000 2.205 118 K HA 0.543 4.863 4.320 -0.000 0.000 0.279 118 K C 0.848 177.529 176.600 0.133 0.000 1.027 118 K CA -0.085 56.326 56.287 0.207 0.000 0.932 118 K CB 1.345 33.912 32.500 0.112 0.000 1.032 118 K HN 0.331 nan 8.250 nan 0.000 0.466 119 S N 2.278 118.024 115.700 0.076 0.000 2.503 119 S HA 0.005 4.475 4.470 -0.000 0.000 0.217 119 S C 0.259 174.859 174.600 0.001 0.000 0.999 119 S CA 0.208 58.428 58.200 0.033 0.000 0.914 119 S CB 0.053 63.252 63.200 -0.003 0.000 0.782 119 S HN 0.643 nan 8.310 nan 0.000 0.520 120 R N -0.229 120.264 120.500 -0.012 0.000 2.734 120 R HA 0.462 4.802 4.340 -0.000 0.000 0.271 120 R C -1.311 174.954 176.300 -0.059 0.000 1.021 120 R CA -0.721 55.355 56.100 -0.040 0.000 0.893 120 R CB 0.432 30.698 30.300 -0.058 0.000 1.244 120 R HN -0.244 nan 8.270 nan 0.000 0.464 121 D N -0.148 120.202 120.400 -0.083 0.000 2.289 121 D HA 0.227 4.867 4.640 -0.000 0.000 0.207 121 D C 0.202 176.377 176.300 -0.208 0.000 0.966 121 D CA 1.386 55.333 54.000 -0.087 0.000 0.868 121 D CB 0.648 41.416 40.800 -0.052 0.000 0.943 121 D HN 0.603 nan 8.370 nan 0.000 0.514 122 A N -0.402 122.244 122.820 -0.290 0.000 2.540 122 A HA 0.566 4.886 4.320 -0.000 0.000 0.291 122 A C -1.907 175.583 177.584 -0.157 0.000 1.083 122 A CA -0.615 51.164 52.037 -0.429 0.000 0.650 122 A CB 0.981 19.330 19.000 -1.086 0.000 1.292 122 A HN -0.020 nan 8.150 nan 0.000 0.435 123 I N 0.713 121.238 120.570 -0.075 0.000 2.509 123 I HA 0.669 4.838 4.170 -0.000 0.000 0.293 123 I C -2.567 173.566 176.117 0.027 0.000 1.020 123 I CA -2.389 58.917 61.300 0.009 0.000 1.088 123 I CB 2.097 40.079 38.000 -0.030 0.000 1.267 123 I HN 0.370 nan 8.210 nan 0.000 0.430 124 P HA 0.165 nan 4.420 nan 0.000 0.268 124 P C -1.180 175.953 177.300 -0.279 0.000 1.208 124 P CA -0.065 62.805 63.100 -0.383 0.000 0.777 124 P CB 0.494 31.955 31.700 -0.399 0.000 0.875 125 V N 2.494 122.251 119.914 -0.262 0.000 2.769 125 V HA 0.475 4.595 4.120 -0.000 0.000 0.312 125 V C -0.485 175.530 176.094 -0.132 0.000 1.061 125 V CA -0.493 61.705 62.300 -0.170 0.000 0.931 125 V CB 1.415 33.209 31.823 -0.047 0.000 1.010 125 V HN 0.505 nan 8.190 nan 0.000 0.433 126 Y N 1.345 121.472 120.300 -0.287 0.000 2.549 126 Y HA 0.912 5.462 4.550 -0.000 0.000 0.339 126 Y C 0.112 175.658 175.900 -0.590 0.000 1.053 126 Y CA -0.682 57.183 58.100 -0.391 0.000 1.105 126 Y CB 1.666 39.882 38.460 -0.407 0.000 1.258 126 Y HN 0.707 nan 8.280 nan 0.000 0.478 127 T N -1.426 112.721 114.554 -0.678 0.000 2.807 127 T HA 0.508 4.858 4.350 -0.000 0.000 0.277 127 T C -1.251 172.957 174.700 -0.819 0.000 1.006 127 T CA -1.008 60.480 62.100 -1.021 0.000 1.006 127 T CB 1.426 69.127 68.868 -1.945 0.000 1.274 127 T HN 0.800 nan 8.240 nan 0.000 0.569 128 H N -0.112 118.697 119.070 -0.436 0.000 2.589 128 H HA 0.639 5.195 4.556 -0.000 0.000 0.335 128 H C -0.923 174.416 175.328 0.017 0.000 1.019 128 H CA -0.779 55.194 56.048 -0.125 0.000 1.213 128 H CB 1.562 31.296 29.762 -0.047 0.000 1.472 128 H HN 0.910 nan 8.280 nan 0.000 0.508 129 A N 3.595 126.474 122.820 0.099 0.000 2.536 129 A HA 0.395 4.715 4.320 -0.000 0.000 0.329 129 A C -0.156 177.418 177.584 -0.016 0.000 1.321 129 A CA -0.604 51.507 52.037 0.124 0.000 0.804 129 A CB 0.266 19.335 19.000 0.116 0.000 1.126 129 A HN 0.552 nan 8.150 nan 0.000 0.480 130 T N 1.557 116.078 114.554 -0.055 0.000 2.779 130 T HA 0.704 5.054 4.350 -0.000 0.000 0.280 130 T C -0.002 174.656 174.700 -0.071 0.000 0.987 130 T CA -0.132 61.866 62.100 -0.170 0.000 0.966 130 T CB 1.248 69.882 68.868 -0.389 0.000 0.933 130 T HN 1.013 nan 8.240 nan 0.000 0.442 131 S N 1.543 117.210 115.700 -0.054 0.000 2.643 131 S HA 0.338 4.808 4.470 -0.000 0.000 0.270 131 S C -0.642 173.957 174.600 -0.001 0.000 1.166 131 S CA -0.778 57.411 58.200 -0.020 0.000 0.815 131 S CB 1.362 64.542 63.200 -0.034 0.000 1.139 131 S HN 0.533 nan 8.310 nan 0.000 0.472 132 D N 1.304 121.708 120.400 0.007 0.000 2.349 132 D HA 0.138 4.777 4.640 -0.000 0.000 0.215 132 D C 0.747 177.040 176.300 -0.012 0.000 1.016 132 D CA 0.783 54.792 54.000 0.017 0.000 0.870 132 D CB 0.225 41.040 40.800 0.026 0.000 0.917 132 D HN 0.716 nan 8.370 nan 0.000 0.524 133 T N -3.064 111.463 114.554 -0.045 0.000 2.906 133 T HA 0.305 4.655 4.350 -0.000 0.000 0.295 133 T C 1.093 175.697 174.700 -0.161 0.000 1.061 133 T CA -0.757 61.295 62.100 -0.080 0.000 1.000 133 T CB 2.202 71.029 68.868 -0.068 0.000 1.103 133 T HN -0.393 nan 8.240 nan 0.000 0.486 134 M N 0.748 120.211 119.600 -0.229 0.000 2.213 134 M HA -0.023 4.457 4.480 -0.000 0.000 0.263 134 M C 1.941 177.794 176.300 -0.745 0.000 1.062 134 M CA 1.453 56.469 55.300 -0.474 0.000 1.105 134 M CB -1.226 31.100 32.600 -0.456 0.000 1.385 134 M HN 0.736 nan 8.290 nan 0.000 0.417 135 E N -0.543 119.422 120.200 -0.392 0.000 2.107 135 E HA -0.032 4.318 4.350 -0.000 0.000 0.191 135 E C 2.114 178.655 176.600 -0.099 0.000 0.982 135 E CA 1.221 57.502 56.400 -0.200 0.000 0.809 135 E CB -0.364 29.320 29.700 -0.026 0.000 0.756 135 E HN 0.560 nan 8.360 nan 0.000 0.459 136 G N 1.447 110.184 108.800 -0.106 0.000 2.422 136 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 136 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 136 G C 1.734 176.596 174.900 -0.063 0.000 1.146 136 G CA 0.408 45.471 45.100 -0.062 0.000 0.769 136 G HN 0.162 nan 8.290 nan 0.000 0.547 137 I N -0.340 120.160 120.570 -0.116 0.000 2.179 137 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 137 I C 2.457 178.612 176.117 0.063 0.000 1.088 137 I CA 0.873 62.134 61.300 -0.065 0.000 1.357 137 I CB -0.398 37.540 38.000 -0.104 0.000 1.051 137 I HN 0.071 nan 8.210 nan 0.000 0.409 138 Y N 1.364 121.691 120.300 0.044 0.000 2.069 138 Y HA -0.323 4.227 4.550 -0.000 0.000 0.278 138 Y C 2.512 178.415 175.900 0.006 0.000 1.175 138 Y CA 0.890 59.045 58.100 0.093 0.000 1.134 138 Y CB -1.309 37.214 38.460 0.104 0.000 0.965 138 Y HN 0.285 nan 8.280 nan 0.000 0.498 139 D N -0.044 120.435 120.400 0.131 0.000 2.092 139 D HA -0.188 4.452 4.640 -0.000 0.000 0.193 139 D C 2.401 178.630 176.300 -0.119 0.000 0.994 139 D CA 1.535 55.536 54.000 0.002 0.000 0.828 139 D CB -0.410 40.379 40.800 -0.019 0.000 0.963 139 D HN 0.282 nan 8.370 nan 0.000 0.450 140 L N 0.654 121.792 121.223 -0.142 0.000 2.012 140 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 140 L C 2.724 179.356 176.870 -0.397 0.000 1.073 140 L CA 0.699 55.344 54.840 -0.325 0.000 0.748 140 L CB -0.488 41.491 42.059 -0.134 0.000 0.891 140 L HN -0.073 nan 8.230 nan 0.000 0.431 141 V N -0.164 119.650 119.914 -0.166 0.000 2.287 141 V HA -0.314 3.806 4.120 -0.000 0.000 0.248 141 V C 2.407 178.310 176.094 -0.318 0.000 1.053 141 V CA 2.047 64.195 62.300 -0.253 0.000 1.027 141 V CB -0.457 31.167 31.823 -0.332 0.000 0.646 141 V HN 0.468 nan 8.190 nan 0.000 0.447 142 E N -0.011 120.056 120.200 -0.220 0.000 2.072 142 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 142 E C 2.328 178.826 176.600 -0.169 0.000 0.985 142 E CA 1.088 57.389 56.400 -0.165 0.000 0.801 142 E CB -0.548 29.122 29.700 -0.051 0.000 0.750 142 E HN 0.643 nan 8.360 nan 0.000 0.452 143 G N 0.802 109.453 108.800 -0.248 0.000 2.476 143 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 143 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 143 G C 1.173 175.954 174.900 -0.198 0.000 1.164 143 G CA 0.754 45.689 45.100 -0.275 0.000 0.768 143 G HN 0.128 nan 8.290 nan 0.000 0.560 144 F N 0.574 120.463 119.950 -0.103 0.000 2.186 144 F HA 0.159 4.686 4.527 -0.000 0.000 0.299 144 F C 2.622 178.428 175.800 0.010 0.000 1.090 144 F CA 0.280 58.258 58.000 -0.037 0.000 1.307 144 F CB -0.646 38.218 39.000 -0.226 0.000 1.019 144 F HN 0.029 nan 8.300 nan 0.000 0.489 145 L N -0.300 120.928 121.223 0.009 0.000 2.056 145 L HA -0.182 4.158 4.340 -0.000 0.000 0.207 145 L C 2.372 179.225 176.870 -0.029 0.000 1.078 145 L CA 1.361 56.158 54.840 -0.071 0.000 0.749 145 L CB -0.616 41.330 42.059 -0.190 0.000 0.901 145 L HN 0.157 nan 8.230 nan 0.000 0.433 146 E N 0.359 120.543 120.200 -0.027 0.000 2.153 146 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 146 E C 1.734 178.325 176.600 -0.014 0.000 0.988 146 E CA 0.970 57.357 56.400 -0.022 0.000 0.811 146 E CB -0.011 29.673 29.700 -0.027 0.000 0.746 146 E HN 0.493 nan 8.360 nan 0.000 0.466 147 K N -0.468 119.945 120.400 0.021 0.000 2.487 147 K HA 0.053 4.373 4.320 -0.000 0.000 0.192 147 K C 1.000 177.490 176.600 -0.183 0.000 1.027 147 K CA 0.503 56.777 56.287 -0.022 0.000 1.054 147 K CB 0.612 33.167 32.500 0.091 0.000 0.824 147 K HN 0.222 nan 8.250 nan 0.000 0.510 148 G N 0.912 109.630 108.800 -0.138 0.000 2.157 148 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.239 148 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.239 148 G C -0.297 174.437 174.900 -0.277 0.000 0.982 148 G CA -0.404 44.581 45.100 -0.191 0.000 0.650 148 G HN 0.221 nan 8.290 nan 0.000 0.527 149 Y N 0.597 120.836 120.300 -0.101 0.000 2.411 149 Y HA 0.471 5.021 4.550 -0.000 0.000 0.333 149 Y C 1.577 177.396 175.900 -0.135 0.000 1.186 149 Y CA 0.202 58.213 58.100 -0.149 0.000 1.381 149 Y CB 0.838 39.175 38.460 -0.205 0.000 1.273 149 Y HN -0.056 nan 8.280 nan 0.000 0.546 150 K N 2.394 122.825 120.400 0.052 0.000 2.447 150 K HA 0.180 4.500 4.320 -0.000 0.000 0.205 150 K C -0.872 175.578 176.600 -0.250 0.000 1.059 150 K CA -0.028 56.213 56.287 -0.077 0.000 1.065 150 K CB 0.446 32.851 32.500 -0.158 0.000 0.885 150 K HN 0.733 nan 8.250 nan 0.000 0.545 151 H N -0.272 118.787 119.070 -0.018 0.000 2.877 151 H HA 0.502 5.058 4.556 -0.000 0.000 0.347 151 H C -0.920 174.339 175.328 -0.115 0.000 1.042 151 H CA -0.371 55.619 56.048 -0.096 0.000 1.276 151 H CB 1.632 31.190 29.762 -0.340 0.000 1.681 151 H HN -0.112 nan 8.280 nan 0.000 0.521 152 I N 1.665 122.262 120.570 0.045 0.000 2.607 152 I HA 0.327 4.497 4.170 -0.000 0.000 0.290 152 I C -0.447 175.606 176.117 -0.107 0.000 1.129 152 I CA -0.736 60.500 61.300 -0.107 0.000 1.042 152 I CB 2.412 40.297 38.000 -0.193 0.000 1.242 152 I HN 0.354 nan 8.210 nan 0.000 0.421 153 R N 4.877 125.264 120.500 -0.188 0.000 2.234 153 R HA 0.562 4.902 4.340 -0.000 0.000 0.324 153 R C -1.487 174.756 176.300 -0.096 0.000 1.054 153 R CA -0.189 55.795 56.100 -0.193 0.000 0.912 153 R CB 0.766 30.943 30.300 -0.206 0.000 1.030 153 R HN 0.713 nan 8.270 nan 0.000 0.455 154 C N 4.829 124.091 119.300 -0.064 0.000 2.301 154 C HA 0.407 4.867 4.460 -0.000 0.000 0.323 154 C C -0.759 174.251 174.990 0.034 0.000 1.265 154 C CA -0.839 58.150 59.018 -0.047 0.000 1.503 154 C CB 1.258 28.945 27.740 -0.089 0.000 2.195 154 C HN 0.675 nan 8.230 nan 0.000 0.477 155 Q N 2.719 122.500 119.800 -0.031 0.000 2.327 155 Q HA 0.392 4.732 4.340 -0.000 0.000 0.270 155 Q C -0.938 175.073 176.000 0.018 0.000 1.022 155 Q CA -0.618 55.203 55.803 0.030 0.000 0.773 155 Q CB 2.459 30.976 28.738 -0.370 0.000 1.251 155 Q HN 0.700 nan 8.270 nan 0.000 0.457 156 L N 2.174 123.460 121.223 0.105 0.000 2.283 156 L HA 0.603 4.943 4.340 -0.000 0.000 0.287 156 L C 0.234 177.196 176.870 0.154 0.000 1.073 156 L CA 0.972 55.853 54.840 0.068 0.000 0.822 156 L CB 0.428 42.498 42.059 0.018 0.000 1.186 156 L HN 0.772 nan 8.230 nan 0.000 0.436 157 G N 3.696 112.573 108.800 0.129 0.000 2.862 157 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.686 157 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.686 157 G C -0.889 174.206 174.900 0.325 0.000 1.134 157 G CA -0.192 45.022 45.100 0.190 0.000 0.791 157 G HN 0.668 nan 8.290 nan 0.000 0.592 180 Q N 0.516 120.400 119.800 0.139 0.000 2.124 180 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 180 Q C 0.980 177.098 176.000 0.197 0.000 0.977 180 Q CA 1.827 57.746 55.803 0.193 0.000 0.850 180 Q CB -0.019 28.823 28.738 0.174 0.000 0.901 180 Q HN 0.447 nan 8.270 nan 0.000 0.429 181 D N 0.301 120.783 120.400 0.137 0.000 2.104 181 D HA -0.213 4.427 4.640 -0.000 0.000 0.194 181 D C 1.812 178.164 176.300 0.088 0.000 0.994 181 D CA 1.217 55.279 54.000 0.102 0.000 0.830 181 D CB -0.121 40.727 40.800 0.080 0.000 0.959 181 D HN 0.298 nan 8.370 nan 0.000 0.452 182 Q N -0.511 119.348 119.800 0.098 0.000 2.084 182 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 182 Q C 2.232 178.295 176.000 0.104 0.000 0.978 182 Q CA 1.122 56.978 55.803 0.089 0.000 0.844 182 Q CB -0.201 28.591 28.738 0.090 0.000 0.898 182 Q HN 0.350 nan 8.270 nan 0.000 0.426 183 Y N 0.438 120.772 120.300 0.056 0.000 2.128 183 Y HA -0.254 4.296 4.550 -0.000 0.000 0.284 183 Y C 1.865 177.804 175.900 0.066 0.000 1.154 183 Y CA 2.066 60.202 58.100 0.061 0.000 1.149 183 Y CB -0.332 38.157 38.460 0.048 0.000 0.976 183 Y HN 0.109 nan 8.280 nan 0.000 0.505 184 M N 0.049 119.451 119.600 -0.329 0.000 2.080 184 M HA -0.238 4.242 4.480 -0.000 0.000 0.260 184 M C 1.772 178.007 176.300 -0.108 0.000 1.068 184 M CA 2.027 57.137 55.300 -0.317 0.000 1.109 184 M CB -0.455 32.151 32.600 0.011 0.000 1.342 184 M HN 0.244 nan 8.290 nan 0.000 0.405 185 D N 0.406 120.787 120.400 -0.031 0.000 2.092 185 D HA -0.137 4.503 4.640 -0.000 0.000 0.193 185 D C 1.532 177.824 176.300 -0.014 0.000 0.994 185 D CA 1.399 55.403 54.000 0.006 0.000 0.828 185 D CB -0.771 40.044 40.800 0.024 0.000 0.963 185 D HN 0.474 nan 8.370 nan 0.000 0.450 186 N N -0.304 118.380 118.700 -0.027 0.000 2.094 186 N HA -0.132 4.608 4.740 -0.000 0.000 0.191 186 N C 1.645 177.122 175.510 -0.055 0.000 1.023 186 N CA 1.551 54.587 53.050 -0.023 0.000 0.857 186 N CB -0.055 38.443 38.487 0.018 0.000 1.013 186 N HN 0.114 nan 8.380 nan 0.000 0.426 187 T N 1.289 115.768 114.554 -0.126 0.000 2.812 187 T HA 0.007 4.357 4.350 -0.000 0.000 0.264 187 T C 2.002 176.734 174.700 0.053 0.000 1.042 187 T CA 0.627 62.656 62.100 -0.118 0.000 1.140 187 T CB -0.184 68.491 68.868 -0.321 0.000 0.870 187 T HN 0.139 nan 8.240 nan 0.000 0.445 188 L N 0.858 122.128 121.223 0.078 0.000 2.046 188 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 188 L C 2.919 179.750 176.870 -0.064 0.000 1.077 188 L CA 1.168 56.038 54.840 0.049 0.000 0.747 188 L CB -1.232 40.875 42.059 0.079 0.000 0.896 188 L HN 0.269 nan 8.230 nan 0.000 0.432 189 T N -0.235 114.295 114.554 -0.040 0.000 2.684 189 T HA -0.296 4.054 4.350 -0.000 0.000 0.267 189 T C 1.865 176.507 174.700 -0.096 0.000 1.036 189 T CA 1.696 63.760 62.100 -0.059 0.000 1.148 189 T CB -0.235 68.616 68.868 -0.028 0.000 0.863 189 T HN 0.278 nan 8.240 nan 0.000 0.436 190 M N -0.009 119.533 119.600 -0.097 0.000 2.073 190 M HA -0.159 4.321 4.480 -0.000 0.000 0.258 190 M C 1.927 178.113 176.300 -0.191 0.000 1.070 190 M CA 1.972 57.190 55.300 -0.137 0.000 1.103 190 M CB -0.385 32.107 32.600 -0.180 0.000 1.321 190 M HN 0.226 nan 8.290 nan 0.000 0.405 191 F N 0.520 120.283 119.950 -0.313 0.000 2.095 191 F HA -0.255 4.272 4.527 -0.000 0.000 0.298 191 F C 2.604 178.001 175.800 -0.671 0.000 1.104 191 F CA 2.114 59.829 58.000 -0.475 0.000 1.232 191 F CB -0.625 38.014 39.000 -0.602 0.000 0.987 191 F HN 0.180 nan 8.300 nan 0.000 0.475 192 K N 0.058 120.048 120.400 -0.684 0.000 2.009 192 K HA -0.191 4.129 4.320 -0.000 0.000 0.210 192 K C 2.264 178.782 176.600 -0.137 0.000 1.049 192 K CA 1.958 57.965 56.287 -0.468 0.000 0.929 192 K CB -0.302 32.059 32.500 -0.230 0.000 0.714 192 K HN 0.143 nan 8.250 nan 0.000 0.440 193 S N 1.326 116.980 115.700 -0.077 0.000 2.356 193 S HA -0.130 4.340 4.470 -0.000 0.000 0.223 193 S C 1.925 176.560 174.600 0.058 0.000 1.032 193 S CA 1.375 59.593 58.200 0.030 0.000 1.005 193 S CB -0.322 62.948 63.200 0.117 0.000 0.867 193 S HN 0.258 nan 8.310 nan 0.000 0.449 194 L N 0.847 122.125 121.223 0.093 0.000 2.042 194 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 194 L C 2.849 179.787 176.870 0.115 0.000 1.076 194 L CA 1.073 56.040 54.840 0.212 0.000 0.749 194 L CB -0.487 41.672 42.059 0.167 0.000 0.893 194 L HN 0.178 nan 8.230 nan 0.000 0.432 195 R N 0.407 120.922 120.500 0.026 0.000 2.066 195 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 195 R C 2.101 178.400 176.300 -0.002 0.000 1.131 195 R CA 1.206 57.322 56.100 0.027 0.000 0.955 195 R CB -0.598 29.761 30.300 0.097 0.000 0.851 195 R HN 0.462 nan 8.270 nan 0.000 0.432 196 E N 0.439 120.629 120.200 -0.017 0.000 2.130 196 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 196 E C 1.970 178.485 176.600 -0.141 0.000 0.998 196 E CA 1.414 57.783 56.400 -0.052 0.000 0.806 196 E CB -0.022 29.654 29.700 -0.040 0.000 0.738 196 E HN 0.213 nan 8.360 nan 0.000 0.459 197 K N -0.634 119.614 120.400 -0.254 0.000 2.137 197 K HA -0.073 4.247 4.320 -0.000 0.000 0.202 197 K C 0.870 177.099 176.600 -0.618 0.000 1.052 197 K CA 0.945 56.894 56.287 -0.562 0.000 0.961 197 K CB 0.271 32.195 32.500 -0.961 0.000 0.741 197 K HN 0.101 nan 8.250 nan 0.000 0.452 198 Y N -0.865 119.425 120.300 -0.017 0.000 2.471 198 Y HA 0.290 4.840 4.550 -0.000 0.000 0.249 198 Y C 1.171 177.063 175.900 -0.013 0.000 1.116 198 Y CA -0.080 58.040 58.100 0.033 0.000 1.240 198 Y CB 0.699 39.286 38.460 0.211 0.000 1.251 198 Y HN 0.239 nan 8.280 nan 0.000 0.527 199 G N 1.797 110.631 108.800 0.057 0.000 2.660 199 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.321 199 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.321 199 G C 0.767 175.642 174.900 -0.041 0.000 1.246 199 G CA 0.959 46.062 45.100 0.006 0.000 1.000 199 G HN 0.358 nan 8.290 nan 0.000 0.550 200 N N 1.311 119.980 118.700 -0.051 0.000 2.273 200 N HA 0.165 4.905 4.740 -0.000 0.000 0.231 200 N C 1.858 177.300 175.510 -0.115 0.000 1.134 200 N CA 0.529 53.502 53.050 -0.128 0.000 0.856 200 N CB 0.827 39.248 38.487 -0.111 0.000 1.068 200 N HN 0.697 nan 8.380 nan 0.000 0.510 201 Q N -0.166 119.635 119.800 0.001 0.000 2.226 201 Q HA -0.041 4.299 4.340 -0.000 0.000 0.204 201 Q C -0.133 175.940 176.000 0.122 0.000 0.975 201 Q CA 1.176 57.033 55.803 0.091 0.000 0.866 201 Q CB 0.004 28.867 28.738 0.209 0.000 0.915 201 Q HN 0.453 nan 8.270 nan 0.000 0.440 202 F N -3.496 116.344 119.950 -0.184 0.000 2.662 202 F HA 0.463 4.990 4.527 -0.000 0.000 0.312 202 F C -0.885 174.737 175.800 -0.296 0.000 1.113 202 F CA -1.518 56.321 58.000 -0.267 0.000 0.951 202 F CB 0.879 39.748 39.000 -0.218 0.000 1.344 202 F HN -0.221 nan 8.300 nan 0.000 0.462 203 H N 2.309 121.218 119.070 -0.268 0.000 2.646 203 H HA 0.480 5.036 4.556 -0.000 0.000 0.325 203 H C -0.411 174.794 175.328 -0.205 0.000 1.075 203 H CA 0.003 55.879 56.048 -0.286 0.000 1.421 203 H CB 1.479 30.995 29.762 -0.409 0.000 1.461 203 H HN 0.564 nan 8.280 nan 0.000 0.525 204 I N 5.391 125.923 120.570 -0.063 0.000 2.304 204 I HA 0.066 4.236 4.170 -0.000 0.000 0.291 204 I C -0.312 175.814 176.117 0.015 0.000 1.018 204 I CA -0.553 60.723 61.300 -0.040 0.000 1.260 204 I CB 0.739 38.673 38.000 -0.110 0.000 1.390 204 I HN 0.115 nan 8.210 nan 0.000 0.475 205 L N 6.348 127.473 121.223 -0.163 0.000 2.360 205 L HA 0.523 4.863 4.340 -0.000 0.000 0.271 205 L C -0.355 176.483 176.870 -0.054 0.000 1.057 205 L CA -0.313 54.329 54.840 -0.329 0.000 0.803 205 L CB 1.006 42.590 42.059 -0.792 0.000 1.207 205 L HN 0.506 nan 8.230 nan 0.000 0.445 206 H N 0.070 119.127 119.070 -0.021 0.000 3.038 206 H HA 0.425 4.981 4.556 -0.000 0.000 0.362 206 H C -1.797 173.616 175.328 0.143 0.000 1.167 206 H CA -0.687 55.424 56.048 0.106 0.000 1.197 206 H CB 1.565 31.526 29.762 0.331 0.000 1.840 206 H HN 0.542 nan 8.280 nan 0.000 0.540 207 D N 3.871 123.897 120.400 -0.623 0.000 2.349 207 D HA 0.166 4.806 4.640 -0.000 0.000 0.232 207 D C 0.423 176.399 176.300 -0.540 0.000 1.071 207 D CA -0.327 53.403 54.000 -0.450 0.000 0.832 207 D CB 1.843 42.340 40.800 -0.505 0.000 1.086 207 D HN 0.380 nan 8.370 nan 0.000 0.504 208 V N 3.530 123.356 119.914 -0.146 0.000 3.041 208 V HA -0.088 4.032 4.120 -0.000 0.000 0.260 208 V C 0.602 176.643 176.094 -0.088 0.000 1.105 208 V CA 0.721 63.020 62.300 -0.003 0.000 1.125 208 V CB -1.276 30.593 31.823 0.077 0.000 0.730 208 V HN 0.868 nan 8.190 nan 0.000 0.479 209 H N -0.240 118.799 119.070 -0.052 0.000 2.820 209 H HA -0.216 4.340 4.556 -0.000 0.000 0.295 209 H C 0.695 175.949 175.328 -0.124 0.000 1.187 209 H CA 0.473 56.463 56.048 -0.096 0.000 1.144 209 H CB -1.509 28.155 29.762 -0.164 0.000 1.354 209 H HN 0.752 nan 8.280 nan 0.000 0.395 210 E N -2.041 118.160 120.200 0.002 0.000 2.586 210 E HA -0.348 4.002 4.350 -0.000 0.000 0.259 210 E C 0.879 177.404 176.600 -0.125 0.000 1.107 210 E CA 0.815 57.186 56.400 -0.048 0.000 0.754 210 E CB -0.773 28.905 29.700 -0.036 0.000 1.335 210 E HN 0.671 nan 8.360 nan 0.000 0.411 211 R N 0.032 120.440 120.500 -0.153 0.000 2.275 211 R HA 0.167 4.507 4.340 -0.000 0.000 0.199 211 R C 0.772 176.958 176.300 -0.190 0.000 0.989 211 R CA 0.437 56.407 56.100 -0.216 0.000 1.016 211 R CB 0.241 30.325 30.300 -0.360 0.000 0.918 211 R HN 0.171 nan 8.270 nan 0.000 0.473 212 L N 0.722 121.858 121.223 -0.144 0.000 2.325 212 L HA 0.367 4.707 4.340 -0.000 0.000 0.278 212 L C -0.138 176.620 176.870 -0.187 0.000 1.023 212 L CA -0.951 53.839 54.840 -0.083 0.000 0.811 212 L CB 0.995 43.061 42.059 0.012 0.000 1.249 212 L HN -0.160 nan 8.230 nan 0.000 0.431 213 F N 2.017 121.922 119.950 -0.075 0.000 2.435 213 F HA 0.182 4.709 4.527 -0.000 0.000 0.316 213 F C -1.184 174.474 175.800 -0.237 0.000 1.220 213 F CA -1.028 56.882 58.000 -0.150 0.000 1.241 213 F CB -0.045 38.873 39.000 -0.136 0.000 1.234 213 F HN 0.363 nan 8.300 nan 0.000 0.569 214 P HA -0.188 nan 4.420 nan 0.000 0.215 214 P C 1.224 178.303 177.300 -0.368 0.000 1.153 214 P CA 1.712 64.457 63.100 -0.592 0.000 0.853 214 P CB -0.122 30.513 31.700 -1.775 0.000 0.788 215 N N 0.362 118.880 118.700 -0.304 0.000 2.149 215 N HA -0.228 4.512 4.740 -0.000 0.000 0.188 215 N C 1.570 177.095 175.510 0.025 0.000 1.019 215 N CA 1.770 54.775 53.050 -0.075 0.000 0.857 215 N CB -1.130 37.334 38.487 -0.039 0.000 0.997 215 N HN 0.288 nan 8.380 nan 0.000 0.426 216 Q N 0.286 120.117 119.800 0.053 0.000 2.079 216 Q HA 0.122 4.462 4.340 -0.000 0.000 0.200 216 Q C 2.378 178.464 176.000 0.143 0.000 0.974 216 Q CA 1.672 57.542 55.803 0.111 0.000 0.840 216 Q CB -0.235 28.589 28.738 0.143 0.000 0.898 216 Q HN 0.590 nan 8.270 nan 0.000 0.430 217 A N 1.036 123.918 122.820 0.102 0.000 1.908 217 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 217 A C 2.047 179.747 177.584 0.193 0.000 1.181 217 A CA 1.271 53.399 52.037 0.153 0.000 0.627 217 A CB -0.668 18.383 19.000 0.085 0.000 0.818 217 A HN 0.314 nan 8.150 nan 0.000 0.445 218 I N -1.105 119.549 120.570 0.140 0.000 2.252 218 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 218 I C 2.796 178.985 176.117 0.120 0.000 1.102 218 I CA 1.652 63.037 61.300 0.141 0.000 1.385 218 I CB -0.408 37.684 38.000 0.152 0.000 1.064 218 I HN 0.443 nan 8.210 nan 0.000 0.414 219 Q N 0.321 120.194 119.800 0.122 0.000 2.050 219 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 219 Q C 2.226 178.293 176.000 0.113 0.000 0.980 219 Q CA 2.051 57.916 55.803 0.102 0.000 0.840 219 Q CB -0.172 28.631 28.738 0.108 0.000 0.898 219 Q HN 0.448 nan 8.270 nan 0.000 0.424 220 F N 0.485 120.455 119.950 0.034 0.000 2.134 220 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 220 F C 1.978 177.782 175.800 0.007 0.000 1.097 220 F CA 1.445 59.459 58.000 0.023 0.000 1.264 220 F CB -0.510 38.522 39.000 0.053 0.000 1.001 220 F HN 0.095 nan 8.300 nan 0.000 0.479 221 A N 0.495 123.354 122.820 0.064 0.000 1.908 221 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 221 A C 2.234 179.734 177.584 -0.140 0.000 1.181 221 A CA 2.084 54.093 52.037 -0.046 0.000 0.627 221 A CB -0.690 18.358 19.000 0.080 0.000 0.818 221 A HN 0.517 nan 8.150 nan 0.000 0.445 222 K N -0.395 119.952 120.400 -0.089 0.000 2.155 222 K HA -0.096 4.224 4.320 -0.000 0.000 0.203 222 K C 1.793 178.288 176.600 -0.175 0.000 1.052 222 K CA 1.411 57.635 56.287 -0.105 0.000 0.948 222 K CB -0.142 32.328 32.500 -0.050 0.000 0.728 222 K HN 0.635 nan 8.250 nan 0.000 0.448 223 E N 0.623 120.700 120.200 -0.206 0.000 2.158 223 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 223 E C 1.784 178.186 176.600 -0.329 0.000 0.982 223 E CA 0.542 56.809 56.400 -0.221 0.000 0.823 223 E CB 0.188 29.804 29.700 -0.140 0.000 0.766 223 E HN -0.007 nan 8.360 nan 0.000 0.468 224 V N 1.280 120.889 119.914 -0.508 0.000 3.541 224 V HA -0.092 4.028 4.120 -0.000 0.000 0.267 224 V C 1.969 177.792 176.094 -0.451 0.000 1.213 224 V CA 0.893 62.867 62.300 -0.544 0.000 1.149 224 V CB -0.016 31.197 31.823 -1.017 0.000 0.822 224 V HN 0.217 nan 8.190 nan 0.000 0.462 225 E N 0.603 120.582 120.200 -0.369 0.000 2.058 225 E HA -0.326 4.024 4.350 -0.000 0.000 0.194 225 E C 2.126 178.555 176.600 -0.286 0.000 0.997 225 E CA 1.855 58.095 56.400 -0.267 0.000 0.801 225 E CB -0.169 29.413 29.700 -0.197 0.000 0.746 225 E HN 0.897 nan 8.360 nan 0.000 0.450 226 Q N -0.822 118.731 119.800 -0.411 0.000 2.297 226 Q HA -0.193 4.147 4.340 -0.000 0.000 0.208 226 Q C 1.025 176.765 176.000 -0.434 0.000 0.981 226 Q CA 1.370 56.903 55.803 -0.451 0.000 0.876 226 Q CB -0.361 28.011 28.738 -0.610 0.000 0.921 226 Q HN 0.429 nan 8.270 nan 0.000 0.446 227 Y N 0.989 121.179 120.300 -0.183 0.000 2.466 227 Y HA 0.263 4.813 4.550 -0.000 0.000 0.272 227 Y C -0.133 175.709 175.900 -0.097 0.000 1.169 227 Y CA -0.248 57.776 58.100 -0.126 0.000 1.285 227 Y CB 0.303 38.682 38.460 -0.136 0.000 1.078 227 Y HN 0.008 nan 8.280 nan 0.000 0.523 228 K N 0.030 120.408 120.400 -0.038 0.000 3.419 228 K HA -0.164 4.156 4.320 -0.000 0.000 0.272 228 K C -2.832 173.816 176.600 0.080 0.000 0.973 228 K CA -0.020 56.270 56.287 0.006 0.000 0.749 228 K CB -1.382 31.136 32.500 0.029 0.000 1.403 228 K HN 0.239 nan 8.250 nan 0.000 0.456 229 P HA -0.107 nan 4.420 nan 0.000 0.269 229 P C 0.388 177.784 177.300 0.160 0.000 1.209 229 P CA -0.103 63.098 63.100 0.168 0.000 0.776 229 P CB 0.498 32.244 31.700 0.076 0.000 0.876 230 Y N 3.411 123.708 120.300 -0.005 0.000 2.128 230 Y HA -0.112 4.438 4.550 -0.000 0.000 0.284 230 Y C 0.817 176.614 175.900 -0.171 0.000 1.154 230 Y CA 1.880 59.877 58.100 -0.172 0.000 1.149 230 Y CB -0.120 38.094 38.460 -0.411 0.000 0.976 230 Y HN 0.401 nan 8.280 nan 0.000 0.505 231 F N -2.602 117.285 119.950 -0.105 0.000 2.719 231 F HA 0.514 5.041 4.527 -0.000 0.000 0.309 231 F C -1.776 174.044 175.800 0.033 0.000 1.138 231 F CA -2.369 55.558 58.000 -0.123 0.000 0.943 231 F CB 0.350 39.150 39.000 -0.333 0.000 1.304 231 F HN -0.392 nan 8.300 nan 0.000 0.445 232 I N 1.992 122.809 120.570 0.413 0.000 2.321 232 I HA 0.384 4.554 4.170 -0.000 0.000 0.291 232 I C -0.181 176.160 176.117 0.374 0.000 0.998 232 I CA -0.411 61.133 61.300 0.406 0.000 1.227 232 I CB 1.150 39.378 38.000 0.380 0.000 1.368 232 I HN 0.844 nan 8.210 nan 0.000 0.466 233 E N 5.044 125.441 120.200 0.328 0.000 2.214 233 E HA 0.208 4.558 4.350 -0.000 0.000 0.274 233 E C -0.766 175.892 176.600 0.097 0.000 0.977 233 E CA -0.411 56.099 56.400 0.184 0.000 0.827 233 E CB 0.851 30.680 29.700 0.215 0.000 1.130 233 E HN 0.480 nan 8.360 nan 0.000 0.394 234 D N 2.855 123.292 120.400 0.062 0.000 2.740 234 D HA -0.236 4.404 4.640 -0.000 0.000 0.231 234 D C 0.502 176.843 176.300 0.068 0.000 1.194 234 D CA 0.605 54.639 54.000 0.056 0.000 0.673 234 D CB -0.933 39.894 40.800 0.045 0.000 0.995 234 D HN 0.572 nan 8.370 nan 0.000 0.411 235 I N -0.919 119.714 120.570 0.104 0.000 2.761 235 I HA -0.077 4.093 4.170 -0.000 0.000 0.261 235 I C 0.771 176.936 176.117 0.081 0.000 1.198 235 I CA 0.731 62.106 61.300 0.124 0.000 1.482 235 I CB 0.286 38.404 38.000 0.195 0.000 1.100 235 I HN 0.081 nan 8.210 nan 0.000 0.445 236 L N 0.693 121.961 121.223 0.075 0.000 2.322 236 L HA 0.470 4.810 4.340 -0.000 0.000 0.269 236 L C -2.270 174.611 176.870 0.017 0.000 1.012 236 L CA -2.121 52.743 54.840 0.040 0.000 0.815 236 L CB 1.004 43.114 42.059 0.086 0.000 1.295 236 L HN -0.170 nan 8.230 nan 0.000 0.438 237 P HA 0.089 nan 4.420 nan 0.000 0.269 237 P C -2.588 174.743 177.300 0.051 0.000 1.217 237 P CA -0.760 62.328 63.100 -0.022 0.000 0.783 237 P CB -0.351 31.307 31.700 -0.071 0.000 0.898 238 P HA 0.169 nan 4.420 nan 0.000 0.279 238 P C -0.220 177.137 177.300 0.095 0.000 1.276 238 P CA -0.159 63.014 63.100 0.121 0.000 0.801 238 P CB 0.244 32.031 31.700 0.146 0.000 1.127 239 N N -2.085 116.672 118.700 0.095 0.000 2.778 239 N HA -0.153 4.587 4.740 -0.000 0.000 0.249 239 N C -0.046 175.539 175.510 0.125 0.000 1.069 239 N CA 0.856 53.955 53.050 0.081 0.000 0.831 239 N CB -1.581 36.942 38.487 0.060 0.000 1.142 239 N HN 0.531 nan 8.380 nan 0.000 0.573 240 Q N -0.769 119.126 119.800 0.159 0.000 2.129 240 Q HA 0.227 4.567 4.340 -0.000 0.000 0.274 240 Q C 1.280 177.465 176.000 0.308 0.000 0.854 240 Q CA 0.500 56.465 55.803 0.270 0.000 1.123 240 Q CB 0.078 28.937 28.738 0.203 0.000 1.226 240 Q HN 0.556 nan 8.270 nan 0.000 0.454 241 T N -3.194 111.484 114.554 0.206 0.000 3.035 241 T HA -0.058 4.292 4.350 -0.000 0.000 0.268 241 T C 1.215 176.013 174.700 0.164 0.000 1.109 241 T CA 0.769 62.979 62.100 0.183 0.000 1.119 241 T CB 0.208 69.158 68.868 0.138 0.000 0.900 241 T HN 0.054 nan 8.240 nan 0.000 0.503 242 E N 0.790 121.073 120.200 0.139 0.000 2.267 242 E HA -0.057 4.293 4.350 -0.000 0.000 0.197 242 E C 1.039 177.640 176.600 0.001 0.000 0.998 242 E CA 0.978 57.391 56.400 0.022 0.000 0.830 242 E CB -0.502 29.162 29.700 -0.060 0.000 0.751 242 E HN 0.762 nan 8.360 nan 0.000 0.491 243 W N 0.102 121.430 121.300 0.047 0.000 2.937 243 W HA 0.137 4.797 4.660 -0.000 0.000 0.245 243 W C 1.242 177.793 176.519 0.054 0.000 1.306 243 W CA 0.123 57.500 57.345 0.053 0.000 1.470 243 W CB -0.125 29.375 29.460 0.067 0.000 1.132 243 W HN 0.061 nan 8.180 nan 0.000 0.675 244 L N -0.114 121.247 121.223 0.230 0.000 2.201 244 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 244 L C 1.874 178.810 176.870 0.111 0.000 1.105 244 L CA 1.010 55.949 54.840 0.164 0.000 0.775 244 L CB -0.504 41.629 42.059 0.123 0.000 0.913 244 L HN -0.124 nan 8.230 nan 0.000 0.440 245 D N 0.072 120.513 120.400 0.069 0.000 2.144 245 D HA -0.157 4.483 4.640 -0.000 0.000 0.199 245 D C 1.880 178.207 176.300 0.045 0.000 0.984 245 D CA 1.127 55.145 54.000 0.030 0.000 0.834 245 D CB -0.274 40.517 40.800 -0.015 0.000 0.955 245 D HN 0.318 nan 8.370 nan 0.000 0.465 246 N N 0.314 119.059 118.700 0.075 0.000 2.084 246 N HA -0.077 4.663 4.740 -0.000 0.000 0.190 246 N C 1.960 177.540 175.510 0.116 0.000 1.030 246 N CA 0.699 53.812 53.050 0.104 0.000 0.849 246 N CB -0.195 38.418 38.487 0.209 0.000 1.012 246 N HN 0.206 nan 8.380 nan 0.000 0.423 247 I N 0.572 121.227 120.570 0.143 0.000 2.226 247 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 247 I C 1.795 177.957 176.117 0.074 0.000 1.100 247 I CA 1.033 62.403 61.300 0.117 0.000 1.374 247 I CB -0.137 37.944 38.000 0.135 0.000 1.057 247 I HN 0.143 nan 8.210 nan 0.000 0.413 248 R N 0.607 121.146 120.500 0.065 0.000 2.276 248 R HA 0.008 4.348 4.340 -0.000 0.000 0.203 248 R C 2.133 178.449 176.300 0.027 0.000 1.017 248 R CA 1.176 57.300 56.100 0.041 0.000 1.010 248 R CB -0.571 29.750 30.300 0.034 0.000 0.900 248 R HN 0.463 nan 8.270 nan 0.000 0.469 249 S N -0.400 115.317 115.700 0.029 0.000 2.558 249 S HA 0.045 4.515 4.470 -0.000 0.000 0.217 249 S C 1.524 176.133 174.600 0.016 0.000 0.975 249 S CA 0.113 58.323 58.200 0.018 0.000 0.912 249 S CB 0.302 63.511 63.200 0.015 0.000 0.776 249 S HN 0.287 nan 8.310 nan 0.000 0.526 250 Q N -0.112 119.701 119.800 0.022 0.000 2.288 250 Q HA 0.364 4.704 4.340 -0.000 0.000 0.256 250 Q C -0.109 175.892 176.000 0.002 0.000 0.835 250 Q CA 0.027 55.839 55.803 0.015 0.000 0.958 250 Q CB 1.120 29.874 28.738 0.027 0.000 1.125 250 Q HN 0.440 nan 8.270 nan 0.000 0.513 251 S N -0.190 115.514 115.700 0.005 0.000 2.541 251 S HA 0.269 4.739 4.470 -0.000 0.000 0.280 251 S C 0.174 174.770 174.600 -0.006 0.000 1.112 251 S CA -0.527 57.667 58.200 -0.011 0.000 0.925 251 S CB 1.586 64.780 63.200 -0.011 0.000 1.067 251 S HN 0.172 nan 8.310 nan 0.000 0.479 252 S N 2.808 118.495 115.700 -0.021 0.000 2.597 252 S HA 0.171 4.641 4.470 -0.000 0.000 0.224 252 S C 0.608 175.203 174.600 -0.009 0.000 0.955 252 S CA -0.227 57.966 58.200 -0.013 0.000 0.933 252 S CB -0.027 63.161 63.200 -0.020 0.000 0.788 252 S HN 0.751 nan 8.310 nan 0.000 0.488 253 V N 2.915 122.820 119.914 -0.015 0.000 2.694 253 V HA 0.182 4.302 4.120 -0.000 0.000 0.306 253 V C 0.188 176.311 176.094 0.047 0.000 1.054 253 V CA 0.208 62.505 62.300 -0.005 0.000 1.161 253 V CB 0.642 32.448 31.823 -0.029 0.000 0.916 253 V HN 0.577 nan 8.190 nan 0.000 0.490 254 S N 7.514 123.261 115.700 0.079 0.000 2.548 254 S HA 0.542 5.012 4.470 -0.000 0.000 0.277 254 S C -0.355 174.364 174.600 0.198 0.000 1.315 254 S CA -0.368 57.919 58.200 0.145 0.000 1.050 254 S CB 0.550 63.874 63.200 0.208 0.000 0.918 254 S HN 0.614 nan 8.310 nan 0.000 0.497 255 L N 2.068 123.397 121.223 0.175 0.000 2.381 255 L HA 0.717 5.057 4.340 -0.000 0.000 0.268 255 L C 0.456 177.347 176.870 0.034 0.000 0.997 255 L CA -0.803 54.117 54.840 0.134 0.000 0.818 255 L CB 2.067 44.186 42.059 0.100 0.000 1.310 255 L HN 0.732 nan 8.230 nan 0.000 0.416 256 G N 3.021 111.749 108.800 -0.120 0.000 2.470 256 G HA2 0.779 4.739 3.960 -0.000 0.000 0.320 256 G HA3 0.779 4.739 3.960 -0.000 0.000 0.320 256 G C -1.138 173.650 174.900 -0.186 0.000 1.245 256 G CA -0.325 44.536 45.100 -0.398 0.000 0.935 256 G HN 0.370 nan 8.290 nan 0.000 0.476 257 L N 0.852 121.971 121.223 -0.174 0.000 2.415 257 L HA 0.756 5.096 4.340 -0.000 0.000 0.256 257 L C 0.842 177.486 176.870 -0.377 0.000 1.010 257 L CA -0.385 54.352 54.840 -0.171 0.000 0.826 257 L CB 2.578 44.635 42.059 -0.005 0.000 1.405 257 L HN 0.905 nan 8.230 nan 0.000 0.410 258 G N 0.305 108.630 108.800 -0.792 0.000 2.672 258 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.197 258 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.197 258 G C 0.664 175.109 174.900 -0.759 0.000 0.995 258 G CA 0.312 44.540 45.100 -1.453 0.000 0.754 258 G HN 0.721 nan 8.290 nan 0.000 0.505 259 E N 0.327 120.354 120.200 -0.289 0.000 2.114 259 E HA -0.060 4.290 4.350 -0.000 0.000 0.199 259 E C 1.906 178.568 176.600 0.104 0.000 1.008 259 E CA 1.381 57.816 56.400 0.058 0.000 0.810 259 E CB -0.211 29.511 29.700 0.036 0.000 0.739 259 E HN 0.480 nan 8.360 nan 0.000 0.456 260 L N 0.852 122.086 121.223 0.019 0.000 2.592 260 L HA 0.144 4.484 4.340 -0.000 0.000 0.227 260 L C -0.051 177.008 176.870 0.315 0.000 1.127 260 L CA -0.448 54.465 54.840 0.122 0.000 0.884 260 L CB 0.043 42.175 42.059 0.121 0.000 1.065 260 L HN 0.079 nan 8.230 nan 0.000 0.457 261 F N 1.573 121.626 119.950 0.171 0.000 2.529 261 F HA 0.027 4.554 4.527 -0.000 0.000 0.365 261 F C 1.231 177.163 175.800 0.220 0.000 1.102 261 F CA -0.483 57.650 58.000 0.222 0.000 1.271 261 F CB 0.117 39.342 39.000 0.376 0.000 1.120 261 F HN 0.187 nan 8.300 nan 0.000 0.579 262 N N -0.429 118.481 118.700 0.351 0.000 2.143 262 N HA 0.062 4.802 4.740 -0.000 0.000 0.229 262 N C -0.734 174.898 175.510 0.204 0.000 1.294 262 N CA -0.339 52.870 53.050 0.266 0.000 0.883 262 N CB 0.249 38.806 38.487 0.117 0.000 1.148 262 N HN 0.357 nan 8.380 nan 0.000 0.511 263 N N 0.425 119.174 118.700 0.082 0.000 2.295 263 N HA 0.359 5.099 4.740 -0.000 0.000 0.293 263 N C -2.272 172.829 175.510 -0.682 0.000 1.040 263 N CA -1.798 51.139 53.050 -0.189 0.000 0.840 263 N CB 2.529 40.913 38.487 -0.171 0.000 1.468 263 N HN -0.249 nan 8.380 nan 0.000 0.478 264 P HA -0.078 nan 4.420 nan 0.000 0.218 264 P C 0.714 177.346 177.300 -1.112 0.000 1.148 264 P CA 1.044 63.109 63.100 -1.725 0.000 0.822 264 P CB 0.490 31.688 31.700 -0.835 0.000 0.784 265 E N -0.100 119.731 120.200 -0.614 0.000 2.333 265 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 265 E C 1.660 177.991 176.600 -0.449 0.000 1.007 265 E CA 0.943 57.091 56.400 -0.421 0.000 0.845 265 E CB -0.371 29.164 29.700 -0.275 0.000 0.766 265 E HN 0.503 nan 8.360 nan 0.000 0.507 266 E N -0.727 119.106 120.200 -0.611 0.000 2.216 266 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 266 E C 1.644 177.903 176.600 -0.568 0.000 0.988 266 E CA 0.947 56.884 56.400 -0.772 0.000 0.834 266 E CB -0.029 28.865 29.700 -1.343 0.000 0.772 266 E HN 0.417 nan 8.360 nan 0.000 0.479 267 W N -0.110 121.045 121.300 -0.242 0.000 2.901 267 W HA 0.372 5.032 4.660 -0.000 0.000 0.281 267 W C 1.336 177.863 176.519 0.013 0.000 1.167 267 W CA -0.394 56.965 57.345 0.024 0.000 1.506 267 W CB 0.011 29.607 29.460 0.225 0.000 0.985 267 W HN -0.266 nan 8.180 nan 0.000 0.590 268 K N 1.408 121.769 120.400 -0.065 0.000 1.991 268 K HA -0.196 4.124 4.320 -0.000 0.000 0.212 268 K C 2.401 179.003 176.600 0.003 0.000 1.049 268 K CA 2.811 59.123 56.287 0.041 0.000 0.932 268 K CB -0.475 31.959 32.500 -0.109 0.000 0.717 268 K HN 0.226 nan 8.250 nan 0.000 0.441 269 S N 0.729 116.397 115.700 -0.053 0.000 2.428 269 S HA -0.076 4.394 4.470 -0.000 0.000 0.230 269 S C 1.981 176.543 174.600 -0.064 0.000 1.014 269 S CA 0.512 58.668 58.200 -0.074 0.000 0.957 269 S CB -0.198 62.961 63.200 -0.068 0.000 0.784 269 S HN 0.087 nan 8.310 nan 0.000 0.499 270 L N 1.570 122.794 121.223 0.002 0.000 2.017 270 L HA 0.149 4.489 4.340 -0.000 0.000 0.208 270 L C 2.306 179.168 176.870 -0.012 0.000 1.073 270 L CA 1.562 56.426 54.840 0.040 0.000 0.745 270 L CB -0.711 41.442 42.059 0.156 0.000 0.894 270 L HN 0.387 nan 8.230 nan 0.000 0.432 271 I N -1.481 119.084 120.570 -0.009 0.000 2.333 271 I HA -0.174 3.996 4.170 -0.000 0.000 0.246 271 I C 2.439 178.288 176.117 -0.446 0.000 1.106 271 I CA 0.917 62.165 61.300 -0.086 0.000 1.411 271 I CB -0.452 37.586 38.000 0.062 0.000 1.082 271 I HN 0.209 nan 8.210 nan 0.000 0.420 272 A N 0.635 123.081 122.820 -0.625 0.000 2.019 272 A HA -0.144 4.176 4.320 -0.000 0.000 0.219 272 A C 1.771 178.948 177.584 -0.677 0.000 1.164 272 A CA 1.521 52.837 52.037 -1.202 0.000 0.644 272 A CB -0.484 18.144 19.000 -0.621 0.000 0.805 272 A HN 0.453 nan 8.150 nan 0.000 0.449 273 N N -0.651 117.852 118.700 -0.328 0.000 2.235 273 N HA 0.093 4.833 4.740 -0.000 0.000 0.209 273 N C -0.509 174.936 175.510 -0.108 0.000 1.122 273 N CA 0.100 53.049 53.050 -0.167 0.000 0.845 273 N CB 0.261 38.688 38.487 -0.100 0.000 1.004 273 N HN 0.417 nan 8.380 nan 0.000 0.499 274 R N 0.066 120.489 120.500 -0.129 0.000 3.531 274 R HA -0.166 4.173 4.340 -0.000 0.000 0.280 274 R C 0.501 176.785 176.300 -0.027 0.000 1.130 274 R CA 0.392 56.460 56.100 -0.054 0.000 0.757 274 R CB -1.728 28.561 30.300 -0.019 0.000 1.218 274 R HN 0.247 nan 8.270 nan 0.000 0.454 275 R N 0.601 121.089 120.500 -0.019 0.000 2.300 275 R HA 0.222 4.561 4.340 -0.000 0.000 0.199 275 R C 1.165 177.484 176.300 0.030 0.000 0.920 275 R CA 0.917 57.026 56.100 0.015 0.000 1.046 275 R CB 0.297 30.615 30.300 0.030 0.000 0.984 275 R HN 0.437 nan 8.270 nan 0.000 0.493 276 I N -4.639 115.938 120.570 0.011 0.000 3.174 276 I HA 0.399 4.569 4.170 -0.000 0.000 0.313 276 I C -0.540 175.546 176.117 -0.052 0.000 1.155 276 I CA -0.949 60.353 61.300 0.003 0.000 0.977 276 I CB 2.392 40.398 38.000 0.009 0.000 1.248 276 I HN -0.255 nan 8.210 nan 0.000 0.453 277 D N 1.014 121.370 120.400 -0.073 0.000 2.473 277 D HA 0.254 4.894 4.640 -0.000 0.000 0.230 277 D C -0.720 175.270 176.300 -0.517 0.000 1.097 277 D CA 1.005 54.872 54.000 -0.221 0.000 0.861 277 D CB 1.085 41.815 40.800 -0.116 0.000 1.114 277 D HN 0.297 nan 8.370 nan 0.000 0.500 278 F N 0.794 120.574 119.950 -0.283 0.000 2.557 278 F HA 0.356 4.883 4.527 -0.000 0.000 0.316 278 F C -0.258 175.308 175.800 -0.389 0.000 1.141 278 F CA -1.082 56.681 58.000 -0.395 0.000 0.922 278 F CB 1.971 40.578 39.000 -0.655 0.000 1.194 278 F HN -0.319 nan 8.300 nan 0.000 0.443 279 I N 4.043 124.483 120.570 -0.217 0.000 2.472 279 I HA 0.433 4.603 4.170 -0.000 0.000 0.290 279 I C 0.430 176.390 176.117 -0.262 0.000 1.016 279 I CA 0.056 61.223 61.300 -0.222 0.000 1.348 279 I CB 0.577 38.437 38.000 -0.234 0.000 1.417 279 I HN 0.510 nan 8.210 nan 0.000 0.521 280 R N 5.379 125.766 120.500 -0.188 0.000 2.629 280 R HA 0.253 4.593 4.340 -0.000 0.000 0.408 280 R C -0.648 175.698 176.300 0.076 0.000 1.057 280 R CA -0.297 55.733 56.100 -0.118 0.000 1.119 280 R CB -0.569 29.651 30.300 -0.133 0.000 1.403 280 R HN 0.571 nan 8.270 nan 0.000 0.576 281 C N 1.863 121.244 119.300 0.135 0.000 2.665 281 C HA 0.053 4.513 4.460 -0.000 0.000 0.416 281 C C 0.902 176.082 174.990 0.317 0.000 1.305 281 C CA -0.097 59.076 59.018 0.258 0.000 1.903 281 C CB -0.586 27.318 27.740 0.273 0.000 2.704 281 C HN 0.395 nan 8.230 nan 0.000 0.629 282 H N 0.941 120.127 119.070 0.193 0.000 2.819 282 H HA 0.144 4.700 4.556 -0.000 0.000 0.303 282 H C 1.166 176.489 175.328 -0.009 0.000 1.058 282 H CA -0.113 56.009 56.048 0.123 0.000 1.471 282 H CB 0.412 30.216 29.762 0.071 0.000 1.480 282 H HN 0.413 nan 8.280 nan 0.000 0.517 283 V N 2.448 122.307 119.914 -0.092 0.000 2.278 283 V HA -0.332 3.788 4.120 -0.000 0.000 0.251 283 V C 2.158 178.200 176.094 -0.087 0.000 1.062 283 V CA 2.391 64.501 62.300 -0.316 0.000 1.038 283 V CB -0.481 31.051 31.823 -0.485 0.000 0.646 283 V HN 0.758 nan 8.190 nan 0.000 0.447 284 S N -1.303 114.404 115.700 0.012 0.000 2.382 284 S HA -0.212 4.258 4.470 -0.000 0.000 0.228 284 S C 1.979 176.614 174.600 0.058 0.000 1.027 284 S CA 1.191 59.421 58.200 0.049 0.000 0.991 284 S CB -0.267 62.968 63.200 0.058 0.000 0.823 284 S HN 0.598 nan 8.310 nan 0.000 0.469 285 Q N 0.575 120.418 119.800 0.072 0.000 2.230 285 Q HA 0.035 4.375 4.340 -0.000 0.000 0.202 285 Q C 1.994 178.082 176.000 0.146 0.000 0.963 285 Q CA 0.801 56.637 55.803 0.054 0.000 0.866 285 Q CB -0.245 28.527 28.738 0.056 0.000 0.931 285 Q HN 0.790 nan 8.270 nan 0.000 0.452 286 I N -4.894 115.786 120.570 0.184 0.000 3.883 286 I HA 0.379 4.549 4.170 -0.000 0.000 0.326 286 I C 0.949 177.265 176.117 0.331 0.000 1.283 286 I CA 0.749 62.227 61.300 0.296 0.000 1.161 286 I CB 0.458 38.610 38.000 0.253 0.000 1.012 286 I HN 0.114 nan 8.210 nan 0.000 0.421 287 G N 0.590 109.551 108.800 0.268 0.000 2.192 287 G HA2 0.133 4.093 3.960 -0.000 0.000 0.193 287 G HA3 0.133 4.093 3.960 -0.000 0.000 0.193 287 G C 0.550 175.710 174.900 0.433 0.000 0.999 287 G CA -0.432 44.932 45.100 0.439 0.000 0.659 287 G HN 1.388 nan 8.290 nan 0.000 0.503 288 G N -0.755 108.139 108.800 0.157 0.000 2.337 288 G HA2 0.089 4.049 3.960 -0.000 0.000 0.197 288 G HA3 0.089 4.049 3.960 -0.000 0.000 0.197 288 G C 0.790 175.610 174.900 -0.133 0.000 1.238 288 G CA 0.015 45.148 45.100 0.055 0.000 1.119 288 G HN 0.826 nan 8.290 nan 0.000 0.514 289 I N 1.002 121.498 120.570 -0.124 0.000 2.252 289 I HA -0.113 4.057 4.170 -0.000 0.000 0.245 289 I C 3.087 178.980 176.117 -0.372 0.000 1.102 289 I CA 2.188 63.287 61.300 -0.335 0.000 1.385 289 I CB -0.602 37.112 38.000 -0.477 0.000 1.064 289 I HN 0.642 nan 8.210 nan 0.000 0.414 290 T N 1.875 116.326 114.554 -0.171 0.000 2.607 290 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 290 T C -0.433 173.962 174.700 -0.508 0.000 1.049 290 T CA 1.843 63.782 62.100 -0.268 0.000 1.162 290 T CB -1.416 67.205 68.868 -0.412 0.000 0.863 290 T HN 0.320 nan 8.240 nan 0.000 0.424 291 P HA 0.114 nan 4.420 nan 0.000 0.222 291 P C 1.358 178.482 177.300 -0.294 0.000 1.153 291 P CA 1.075 63.928 63.100 -0.411 0.000 0.798 291 P CB -0.138 31.442 31.700 -0.199 0.000 0.796 292 A N 0.555 123.147 122.820 -0.381 0.000 1.902 292 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 292 A C 2.411 179.821 177.584 -0.290 0.000 1.181 292 A CA 1.295 53.055 52.037 -0.462 0.000 0.623 292 A CB -1.597 16.934 19.000 -0.780 0.000 0.818 292 A HN 0.116 nan 8.150 nan 0.000 0.443 293 L N -0.637 120.337 121.223 -0.414 0.000 2.046 293 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 293 L C 2.619 179.184 176.870 -0.508 0.000 1.077 293 L CA 1.793 56.323 54.840 -0.515 0.000 0.747 293 L CB -0.441 41.259 42.059 -0.598 0.000 0.896 293 L HN 0.379 nan 8.230 nan 0.000 0.432 294 K N -0.285 119.944 120.400 -0.286 0.000 2.057 294 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 294 K C 2.002 178.582 176.600 -0.032 0.000 1.049 294 K CA 1.241 57.467 56.287 -0.102 0.000 0.931 294 K CB -0.331 32.155 32.500 -0.024 0.000 0.714 294 K HN 0.106 nan 8.250 nan 0.000 0.440 295 L N 0.875 122.062 121.223 -0.060 0.000 2.156 295 L HA 0.023 4.363 4.340 -0.000 0.000 0.208 295 L C 2.050 178.910 176.870 -0.016 0.000 1.095 295 L CA 1.667 56.474 54.840 -0.054 0.000 0.770 295 L CB -0.818 41.109 42.059 -0.220 0.000 0.914 295 L HN 0.155 nan 8.230 nan 0.000 0.439 296 G N -1.591 107.205 108.800 -0.006 0.000 2.418 296 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 296 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 296 G C 1.409 176.313 174.900 0.006 0.000 1.158 296 G CA 1.051 46.134 45.100 -0.029 0.000 0.771 296 G HN 0.621 nan 8.290 nan 0.000 0.545 297 H N -0.887 118.177 119.070 -0.011 0.000 2.389 297 H HA 0.030 4.586 4.556 -0.000 0.000 0.299 297 H C 2.422 177.739 175.328 -0.018 0.000 1.081 297 H CA 0.637 56.670 56.048 -0.025 0.000 1.345 297 H CB 0.123 29.873 29.762 -0.021 0.000 1.393 297 H HN 0.287 nan 8.280 nan 0.000 0.520 298 L N 0.469 121.783 121.223 0.151 0.000 2.046 298 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 298 L C 2.153 179.116 176.870 0.155 0.000 1.077 298 L CA 1.384 56.322 54.840 0.162 0.000 0.747 298 L CB -0.654 41.539 42.059 0.225 0.000 0.896 298 L HN 0.325 nan 8.230 nan 0.000 0.432 299 C N -0.677 118.671 119.300 0.080 0.000 2.413 299 C HA -0.210 4.250 4.460 -0.000 0.000 0.276 299 C C 2.777 177.777 174.990 0.018 0.000 1.236 299 C CA 1.243 60.279 59.018 0.030 0.000 1.735 299 C CB -0.930 26.752 27.740 -0.097 0.000 2.031 299 C HN 0.690 nan 8.230 nan 0.000 0.474 300 Q N 1.034 120.838 119.800 0.007 0.000 2.061 300 Q HA -0.235 4.105 4.340 -0.000 0.000 0.204 300 Q C 2.274 178.233 176.000 -0.067 0.000 0.984 300 Q CA 1.807 57.605 55.803 -0.009 0.000 0.846 300 Q CB -0.484 28.255 28.738 0.003 0.000 0.902 300 Q HN 0.750 nan 8.270 nan 0.000 0.421 301 N N -0.667 117.957 118.700 -0.127 0.000 2.137 301 N HA -0.178 4.562 4.740 -0.000 0.000 0.190 301 N C 0.895 176.178 175.510 -0.378 0.000 1.017 301 N CA 1.158 54.026 53.050 -0.303 0.000 0.859 301 N CB -0.038 38.172 38.487 -0.460 0.000 1.002 301 N HN 0.220 nan 8.380 nan 0.000 0.428 302 F N -0.414 119.525 119.950 -0.018 0.000 2.695 302 F HA 0.330 4.857 4.527 -0.000 0.000 0.303 302 F C 1.677 177.450 175.800 -0.045 0.000 1.091 302 F CA 0.495 58.482 58.000 -0.022 0.000 1.300 302 F CB 0.298 39.296 39.000 -0.005 0.000 1.071 302 F HN 0.128 nan 8.300 nan 0.000 0.578 303 G N 0.871 109.709 108.800 0.063 0.000 2.132 303 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.228 303 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.228 303 G C -0.270 174.589 174.900 -0.068 0.000 1.000 303 G CA 0.064 45.160 45.100 -0.007 0.000 0.693 303 G HN 0.132 nan 8.290 nan 0.000 0.515 304 V N 0.207 120.079 119.914 -0.070 0.000 2.483 304 V HA 0.677 4.797 4.120 -0.000 0.000 0.295 304 V C 0.863 176.794 176.094 -0.271 0.000 1.035 304 V CA -0.768 61.426 62.300 -0.176 0.000 0.896 304 V CB 1.605 33.365 31.823 -0.106 0.000 0.986 304 V HN 0.429 nan 8.190 nan 0.000 0.447 305 R N 3.048 123.264 120.500 -0.472 0.000 2.607 305 R HA 0.724 5.064 4.340 -0.000 0.000 0.261 305 R C -0.912 175.147 176.300 -0.400 0.000 1.051 305 R CA -0.610 55.208 56.100 -0.470 0.000 1.110 305 R CB 1.307 31.196 30.300 -0.685 0.000 1.158 305 R HN 0.573 nan 8.270 nan 0.000 0.543 306 I N 0.583 120.948 120.570 -0.343 0.000 2.433 306 I HA 0.462 4.632 4.170 -0.000 0.000 0.292 306 I C -0.464 175.404 176.117 -0.415 0.000 1.001 306 I CA -0.484 60.488 61.300 -0.547 0.000 1.119 306 I CB 2.149 39.669 38.000 -0.800 0.000 1.289 306 I HN 0.632 nan 8.210 nan 0.000 0.438 307 A N 6.160 128.708 122.820 -0.454 0.000 3.300 307 A HA 0.387 4.707 4.320 -0.000 0.000 0.300 307 A C -1.181 176.276 177.584 -0.211 0.000 1.099 307 A CA -0.512 51.395 52.037 -0.218 0.000 0.846 307 A CB -0.089 18.899 19.000 -0.020 0.000 1.255 307 A HN 0.728 nan 8.150 nan 0.000 0.519 308 W N 0.527 121.778 121.300 -0.082 0.000 2.293 308 W HA 0.231 4.891 4.660 -0.000 0.000 0.342 308 W C 0.958 177.365 176.519 -0.186 0.000 1.274 308 W CA 0.447 57.720 57.345 -0.120 0.000 1.290 308 W CB 0.228 29.636 29.460 -0.086 0.000 1.176 308 W HN 0.603 nan 8.180 nan 0.000 0.570 309 H N 1.150 120.188 119.070 -0.055 0.000 2.707 309 H HA 0.216 4.772 4.556 -0.000 0.000 0.359 309 H C -0.473 174.729 175.328 -0.209 0.000 1.113 309 H CA 0.330 56.200 56.048 -0.296 0.000 1.422 309 H CB 0.579 29.749 29.762 -0.985 0.000 1.443 309 H HN 0.358 nan 8.280 nan 0.000 0.591 310 C N 7.098 126.423 119.300 0.040 0.000 2.814 310 C HA 0.258 4.718 4.460 -0.000 0.000 0.269 310 C C -2.307 172.729 174.990 0.076 0.000 1.090 310 C CA -1.554 57.493 59.018 0.048 0.000 1.492 310 C CB -0.286 27.452 27.740 -0.003 0.000 1.825 310 C HN 0.657 nan 8.230 nan 0.000 0.442 311 P HA 0.245 nan 4.420 nan 0.000 0.274 311 P C -2.283 174.965 177.300 -0.087 0.000 1.237 311 P CA -0.952 62.207 63.100 0.097 0.000 0.793 311 P CB 0.609 32.425 31.700 0.193 0.000 0.977 312 P HA -0.095 nan 4.420 nan 0.000 0.231 312 P C 0.725 177.743 177.300 -0.469 0.000 1.158 312 P CA 1.279 64.135 63.100 -0.407 0.000 0.763 312 P CB -0.204 31.156 31.700 -0.566 0.000 0.805 313 D N -2.546 117.643 120.400 -0.353 0.000 2.349 313 D HA 0.013 4.653 4.640 -0.000 0.000 0.214 313 D C 0.670 176.944 176.300 -0.043 0.000 1.063 313 D CA -0.191 53.707 54.000 -0.170 0.000 0.847 313 D CB -0.475 40.306 40.800 -0.031 0.000 0.933 313 D HN 0.159 nan 8.370 nan 0.000 0.513 314 M N 2.374 121.953 119.600 -0.034 0.000 2.249 314 M HA 0.042 4.522 4.480 -0.000 0.000 0.340 314 M C 0.438 176.693 176.300 -0.076 0.000 1.166 314 M CA 0.206 55.497 55.300 -0.015 0.000 1.115 314 M CB 0.895 33.506 32.600 0.018 0.000 1.606 314 M HN 0.041 nan 8.290 nan 0.000 0.448 315 T N 1.753 116.196 114.554 -0.186 0.000 2.816 315 T HA 0.385 4.735 4.350 -0.000 0.000 0.282 315 T C -2.209 172.217 174.700 -0.456 0.000 0.993 315 T CA -1.503 60.296 62.100 -0.503 0.000 0.994 315 T CB 0.596 68.970 68.868 -0.824 0.000 1.025 315 T HN 0.489 nan 8.240 nan 0.000 0.529 316 P HA 0.118 nan 4.420 nan 0.000 0.225 316 P C 1.373 178.494 177.300 -0.298 0.000 1.148 316 P CA 0.631 63.396 63.100 -0.559 0.000 0.779 316 P CB -0.133 31.090 31.700 -0.796 0.000 0.780 317 I N -1.093 119.282 120.570 -0.326 0.000 2.233 317 I HA -0.131 4.039 4.170 -0.000 0.000 0.243 317 I C 2.498 178.599 176.117 -0.027 0.000 1.093 317 I CA 1.670 62.914 61.300 -0.093 0.000 1.380 317 I CB -1.218 36.784 38.000 0.004 0.000 1.067 317 I HN 0.003 nan 8.210 nan 0.000 0.413 318 G N 0.632 109.398 108.800 -0.056 0.000 2.421 318 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 318 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 318 G C 1.858 176.763 174.900 0.008 0.000 1.171 318 G CA 0.868 45.964 45.100 -0.007 0.000 0.775 318 G HN 0.484 nan 8.290 nan 0.000 0.543 319 A N 1.086 123.907 122.820 0.000 0.000 1.933 319 A HA 0.299 4.619 4.320 -0.000 0.000 0.218 319 A C 2.805 180.411 177.584 0.036 0.000 1.175 319 A CA 2.141 54.203 52.037 0.042 0.000 0.628 319 A CB -0.717 18.351 19.000 0.113 0.000 0.814 319 A HN 0.776 nan 8.150 nan 0.000 0.444 320 A N -0.475 122.356 122.820 0.018 0.000 1.902 320 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 320 A C 2.225 179.855 177.584 0.077 0.000 1.181 320 A CA 1.801 53.844 52.037 0.010 0.000 0.623 320 A CB -0.971 18.050 19.000 0.034 0.000 0.818 320 A HN 0.383 nan 8.150 nan 0.000 0.443 321 V N 0.900 120.900 119.914 0.143 0.000 2.287 321 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 321 V C 2.307 178.487 176.094 0.143 0.000 1.053 321 V CA 2.349 64.763 62.300 0.191 0.000 1.027 321 V CB -1.096 30.791 31.823 0.107 0.000 0.646 321 V HN 0.575 nan 8.190 nan 0.000 0.447 322 N N 0.043 118.788 118.700 0.075 0.000 2.149 322 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 322 N C 1.866 177.460 175.510 0.140 0.000 1.019 322 N CA 1.930 55.040 53.050 0.100 0.000 0.857 322 N CB -0.700 37.848 38.487 0.102 0.000 0.997 322 N HN 0.478 nan 8.380 nan 0.000 0.426 323 T N -0.371 114.222 114.554 0.065 0.000 2.821 323 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 323 T C 1.443 176.158 174.700 0.025 0.000 1.046 323 T CA 1.170 63.274 62.100 0.006 0.000 1.139 323 T CB -0.384 68.442 68.868 -0.070 0.000 0.871 323 T HN 0.431 nan 8.240 nan 0.000 0.454 324 H N 0.665 119.820 119.070 0.141 0.000 2.319 324 H HA 0.045 4.601 4.556 -0.000 0.000 0.299 324 H C 2.200 177.730 175.328 0.338 0.000 1.092 324 H CA 1.199 57.378 56.048 0.217 0.000 1.302 324 H CB -0.280 29.598 29.762 0.194 0.000 1.373 324 H HN 0.175 nan 8.280 nan 0.000 0.497 325 L N 0.154 121.647 121.223 0.450 0.000 2.079 325 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 325 L C 1.720 178.775 176.870 0.309 0.000 1.081 325 L CA 1.479 56.532 54.840 0.356 0.000 0.752 325 L CB -0.325 41.867 42.059 0.222 0.000 0.896 325 L HN 0.391 nan 8.230 nan 0.000 0.433 326 N N -0.828 118.018 118.700 0.243 0.000 2.354 326 N HA -0.112 4.628 4.740 -0.000 0.000 0.179 326 N C 1.721 177.276 175.510 0.075 0.000 1.021 326 N CA 0.964 54.097 53.050 0.139 0.000 0.887 326 N CB 0.196 38.739 38.487 0.094 0.000 0.974 326 N HN 0.259 nan 8.380 nan 0.000 0.437 327 V N -1.830 118.131 119.914 0.079 0.000 2.951 327 V HA -0.003 4.117 4.120 -0.000 0.000 0.255 327 V C 1.849 178.005 176.094 0.103 0.000 1.088 327 V CA 1.267 63.572 62.300 0.009 0.000 1.109 327 V CB -0.482 31.256 31.823 -0.142 0.000 0.724 327 V HN 0.263 nan 8.190 nan 0.000 0.471 328 H N 0.837 119.989 119.070 0.136 0.000 2.344 328 H HA 0.322 4.878 4.556 -0.000 0.000 0.307 328 H C 0.877 176.286 175.328 0.135 0.000 1.057 328 H CA 0.712 56.879 56.048 0.198 0.000 1.373 328 H CB -0.197 29.788 29.762 0.372 0.000 1.421 328 H HN 0.427 nan 8.280 nan 0.000 0.532 329 L N 1.730 122.906 121.223 -0.078 0.000 2.410 329 L HA 0.025 4.365 4.340 -0.000 0.000 0.273 329 L C 1.530 178.356 176.870 -0.074 0.000 1.144 329 L CA 0.120 54.874 54.840 -0.142 0.000 0.863 329 L CB 0.568 42.621 42.059 -0.009 0.000 1.140 329 L HN 0.490 nan 8.230 nan 0.000 0.463 330 H N 3.144 122.127 119.070 -0.146 0.000 2.325 330 H HA -0.226 4.330 4.556 -0.000 0.000 0.293 330 H C 1.346 176.624 175.328 -0.084 0.000 1.106 330 H CA 2.407 58.397 56.048 -0.098 0.000 1.247 330 H CB 0.239 29.952 29.762 -0.080 0.000 1.359 330 H HN 0.626 nan 8.280 nan 0.000 0.488 331 N N 0.042 118.718 118.700 -0.040 0.000 2.268 331 N HA 0.175 4.915 4.740 -0.000 0.000 0.204 331 N C -0.424 174.985 175.510 -0.168 0.000 1.124 331 N CA 0.117 53.096 53.050 -0.118 0.000 0.838 331 N CB 0.355 38.794 38.487 -0.080 0.000 0.994 331 N HN 0.288 nan 8.380 nan 0.000 0.489 332 A N 0.453 123.185 122.820 -0.148 0.000 2.511 332 A HA 0.402 4.722 4.320 -0.000 0.000 0.242 332 A C 1.006 178.529 177.584 -0.101 0.000 1.069 332 A CA 0.170 52.114 52.037 -0.155 0.000 0.763 332 A CB 0.534 19.487 19.000 -0.078 0.000 1.001 332 A HN 0.323 nan 8.150 nan 0.000 0.498 333 A N 2.487 125.272 122.820 -0.058 0.000 1.999 333 A HA 0.636 4.956 4.320 -0.000 0.000 0.200 333 A C 0.574 178.182 177.584 0.041 0.000 1.363 333 A CA 0.964 53.038 52.037 0.062 0.000 0.844 333 A CB 0.115 19.286 19.000 0.286 0.000 0.954 333 A HN 1.197 nan 8.150 nan 0.000 0.481 334 I N -1.275 119.304 120.570 0.015 0.000 2.842 334 I HA 0.324 4.494 4.170 -0.000 0.000 0.296 334 I C -1.936 174.175 176.117 -0.010 0.000 1.538 334 I CA -0.554 60.717 61.300 -0.049 0.000 0.994 334 I CB 2.095 40.034 38.000 -0.103 0.000 1.372 334 I HN 0.305 nan 8.210 nan 0.000 0.478 335 Q N 4.510 124.274 119.800 -0.061 0.000 2.345 335 Q HA 0.399 4.739 4.340 -0.000 0.000 0.268 335 Q C -1.249 174.586 176.000 -0.274 0.000 1.054 335 Q CA -0.614 55.142 55.803 -0.077 0.000 0.835 335 Q CB 1.937 30.645 28.738 -0.051 0.000 1.339 335 Q HN 0.584 nan 8.270 nan 0.000 0.447 336 E N 2.350 122.342 120.200 -0.346 0.000 2.229 336 E HA 0.025 4.375 4.350 -0.000 0.000 0.283 336 E C -0.949 175.410 176.600 -0.401 0.000 1.030 336 E CA -0.347 55.604 56.400 -0.748 0.000 0.836 336 E CB 0.668 30.102 29.700 -0.443 0.000 1.068 336 E HN 0.655 nan 8.360 nan 0.000 0.401 337 H N 3.558 122.274 119.070 -0.591 0.000 2.886 337 H HA 0.137 4.693 4.556 -0.000 0.000 0.329 337 H C -1.001 174.195 175.328 -0.220 0.000 1.044 337 H CA -0.306 55.534 56.048 -0.347 0.000 1.456 337 H CB 0.644 30.149 29.762 -0.429 0.000 1.464 337 H HN 0.184 nan 8.280 nan 0.000 0.573 338 V N 6.535 126.088 119.914 -0.602 0.000 2.340 338 V HA 0.038 4.158 4.120 -0.000 0.000 0.277 338 V C 0.010 175.379 176.094 -1.209 0.000 1.017 338 V CA -0.870 60.947 62.300 -0.805 0.000 0.820 338 V CB 1.101 32.608 31.823 -0.527 0.000 1.028 338 V HN 0.792 nan 8.190 nan 0.000 0.436 339 E N 3.209 122.732 120.200 -1.128 0.000 2.465 339 E HA 0.119 4.469 4.350 -0.000 0.000 0.260 339 E C -1.204 175.110 176.600 -0.476 0.000 0.980 339 E CA 0.501 56.553 56.400 -0.579 0.000 0.927 339 E CB 0.614 30.187 29.700 -0.212 0.000 0.934 339 E HN 0.605 nan 8.360 nan 0.000 0.459 340 Y N 2.656 122.983 120.300 0.046 0.000 2.335 340 Y HA 0.199 4.749 4.550 -0.000 0.000 0.338 340 Y C 1.182 177.195 175.900 0.189 0.000 0.977 340 Y CA -0.989 57.135 58.100 0.040 0.000 1.114 340 Y CB 0.921 39.290 38.460 -0.153 0.000 1.182 340 Y HN 0.356 nan 8.280 nan 0.000 0.463 341 N N 1.133 119.985 118.700 0.252 0.000 2.104 341 N HA -0.174 4.566 4.740 -0.000 0.000 0.252 341 N C 1.152 176.833 175.510 0.285 0.000 1.224 341 N CA 1.332 54.501 53.050 0.197 0.000 0.844 341 N CB 0.679 39.225 38.487 0.099 0.000 1.074 341 N HN 1.120 nan 8.380 nan 0.000 0.464 342 G N 1.473 110.377 108.800 0.173 0.000 2.403 342 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 342 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 342 G C 1.370 176.354 174.900 0.141 0.000 1.154 342 G CA 0.451 45.642 45.100 0.151 0.000 0.784 342 G HN 0.523 nan 8.290 nan 0.000 0.538 343 N N 0.811 119.554 118.700 0.073 0.000 2.025 343 N HA -0.108 4.632 4.740 -0.000 0.000 0.194 343 N C 2.417 177.889 175.510 -0.063 0.000 1.044 343 N CA 1.820 54.852 53.050 -0.030 0.000 0.851 343 N CB -0.983 37.365 38.487 -0.233 0.000 1.036 343 N HN 0.201 nan 8.380 nan 0.000 0.422 344 T N 0.950 115.488 114.554 -0.028 0.000 2.699 344 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 344 T C 1.639 176.369 174.700 0.049 0.000 1.036 344 T CA 1.124 63.243 62.100 0.032 0.000 1.147 344 T CB -0.419 68.484 68.868 0.058 0.000 0.862 344 T HN 0.374 nan 8.240 nan 0.000 0.446 345 H N 0.583 119.685 119.070 0.054 0.000 2.387 345 H HA -0.008 4.548 4.556 -0.000 0.000 0.299 345 H C 2.496 177.841 175.328 0.028 0.000 1.099 345 H CA 1.545 57.616 56.048 0.040 0.000 1.315 345 H CB -0.000 29.799 29.762 0.061 0.000 1.380 345 H HN 0.315 nan 8.280 nan 0.000 0.513 346 K N 0.486 120.968 120.400 0.135 0.000 2.025 346 K HA -0.088 4.232 4.320 -0.000 0.000 0.207 346 K C 2.200 178.791 176.600 -0.015 0.000 1.049 346 K CA 1.072 57.402 56.287 0.071 0.000 0.933 346 K CB 0.028 32.584 32.500 0.094 0.000 0.714 346 K HN -0.043 nan 8.250 nan 0.000 0.438 347 V N 0.447 120.319 119.914 -0.069 0.000 2.407 347 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 347 V C 0.486 176.193 176.094 -0.645 0.000 1.055 347 V CA 1.314 63.423 62.300 -0.318 0.000 1.049 347 V CB -0.385 31.234 31.823 -0.341 0.000 0.662 347 V HN 0.157 nan 8.190 nan 0.000 0.455 348 F N 0.536 120.411 119.950 -0.125 0.000 2.564 348 F HA 0.477 5.004 4.527 -0.000 0.000 0.368 348 F C -2.560 173.145 175.800 -0.159 0.000 1.127 348 F CA -2.731 55.163 58.000 -0.176 0.000 1.170 348 F CB 0.631 39.476 39.000 -0.258 0.000 1.397 348 F HN 0.001 nan 8.300 nan 0.000 0.493 349 P HA 0.130 nan 4.420 nan 0.000 0.271 349 P C 0.002 177.321 177.300 0.032 0.000 1.218 349 P CA 0.153 63.270 63.100 0.029 0.000 0.780 349 P CB 0.501 32.200 31.700 -0.002 0.000 0.901 350 N N -1.438 117.302 118.700 0.066 0.000 2.782 350 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 350 N C -0.306 175.233 175.510 0.048 0.000 1.101 350 N CA 1.110 54.199 53.050 0.064 0.000 0.764 350 N CB -1.900 36.613 38.487 0.042 0.000 1.122 350 N HN 0.603 nan 8.380 nan 0.000 0.561 351 A N 0.049 122.874 122.820 0.009 0.000 2.484 351 A HA 0.567 4.887 4.320 -0.000 0.000 0.268 351 A C 0.951 178.586 177.584 0.086 0.000 1.114 351 A CA 0.465 52.422 52.037 -0.133 0.000 0.780 351 A CB 0.214 18.856 19.000 -0.596 0.000 1.061 351 A HN 0.505 nan 8.150 nan 0.000 0.505 352 A N 3.592 126.483 122.820 0.118 0.000 2.363 352 A HA 0.548 4.868 4.320 -0.000 0.000 0.270 352 A C 0.326 178.089 177.584 0.297 0.000 1.121 352 A CA -0.382 51.771 52.037 0.194 0.000 0.800 352 A CB 0.205 19.291 19.000 0.144 0.000 1.052 352 A HN 0.802 nan 8.150 nan 0.000 0.493 353 E N 1.628 122.006 120.200 0.297 0.000 2.227 353 E HA 0.436 4.786 4.350 -0.000 0.000 0.268 353 E C -2.460 174.261 176.600 0.201 0.000 0.990 353 E CA -1.881 54.689 56.400 0.283 0.000 0.856 353 E CB 0.562 30.427 29.700 0.274 0.000 1.159 353 E HN 0.402 nan 8.360 nan 0.000 0.401 354 P HA 0.182 nan 4.420 nan 0.000 0.269 354 P C -0.534 176.811 177.300 0.074 0.000 1.209 354 P CA 0.259 63.424 63.100 0.108 0.000 0.776 354 P CB 0.446 32.173 31.700 0.046 0.000 0.876 355 I N 2.537 123.183 120.570 0.128 0.000 2.410 355 I HA 0.220 4.390 4.170 -0.000 0.000 0.286 355 I C 0.378 176.556 176.117 0.102 0.000 1.009 355 I CA -0.598 60.767 61.300 0.107 0.000 1.111 355 I CB 1.125 39.217 38.000 0.153 0.000 1.262 355 I HN 0.360 nan 8.210 nan 0.000 0.443 356 N N 5.162 123.842 118.700 -0.033 0.000 2.710 356 N HA -0.219 4.521 4.740 -0.000 0.000 0.249 356 N C 0.738 176.167 175.510 -0.135 0.000 1.059 356 N CA 1.413 54.427 53.050 -0.061 0.000 0.720 356 N CB -0.660 37.875 38.487 0.080 0.000 0.983 356 N HN 1.131 nan 8.380 nan 0.000 0.544 357 G N -2.501 106.040 108.800 -0.430 0.000 2.132 357 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.234 357 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.234 357 G C -0.380 174.215 174.900 -0.508 0.000 0.989 357 G CA 0.391 45.121 45.100 -0.617 0.000 0.676 357 G HN 0.514 nan 8.290 nan 0.000 0.522 358 Y N -1.159 119.067 120.300 -0.122 0.000 2.477 358 Y HA 0.693 5.243 4.550 -0.000 0.000 0.347 358 Y C 0.389 176.234 175.900 -0.092 0.000 0.981 358 Y CA -1.037 56.982 58.100 -0.136 0.000 1.033 358 Y CB 1.750 40.076 38.460 -0.224 0.000 1.245 358 Y HN 0.113 nan 8.280 nan 0.000 0.455 359 L N 3.300 124.532 121.223 0.015 0.000 2.309 359 L HA 0.467 4.807 4.340 -0.000 0.000 0.282 359 L C -1.270 175.507 176.870 -0.155 0.000 1.036 359 L CA -0.795 54.064 54.840 0.031 0.000 0.806 359 L CB 0.990 43.066 42.059 0.029 0.000 1.220 359 L HN 0.588 nan 8.230 nan 0.000 0.429 360 Y N 1.521 121.835 120.300 0.024 0.000 2.360 360 Y HA 0.548 5.098 4.550 -0.000 0.000 0.337 360 Y C 0.604 176.471 175.900 -0.055 0.000 1.039 360 Y CA -0.655 57.435 58.100 -0.017 0.000 1.109 360 Y CB 1.732 40.188 38.460 -0.006 0.000 1.201 360 Y HN 0.592 nan 8.280 nan 0.000 0.458 361 A N 1.978 124.793 122.820 -0.009 0.000 2.386 361 A HA 0.341 4.661 4.320 -0.000 0.000 0.248 361 A C 0.529 178.120 177.584 0.010 0.000 1.082 361 A CA -0.296 51.659 52.037 -0.138 0.000 0.789 361 A CB 0.159 19.003 19.000 -0.260 0.000 1.025 361 A HN 0.699 nan 8.150 nan 0.000 0.490 362 S N -0.313 115.359 115.700 -0.046 0.000 2.568 362 S HA 0.122 4.592 4.470 -0.000 0.000 0.282 362 S C 0.604 175.365 174.600 0.269 0.000 1.338 362 S CA -0.054 58.220 58.200 0.123 0.000 1.045 362 S CB 0.218 63.503 63.200 0.142 0.000 0.873 362 S HN 0.624 nan 8.310 nan 0.000 0.516 363 E N 1.943 122.255 120.200 0.187 0.000 2.562 363 E HA 0.177 4.527 4.350 -0.000 0.000 0.214 363 E C 0.490 177.149 176.600 0.098 0.000 0.979 363 E CA -0.062 56.438 56.400 0.167 0.000 1.002 363 E CB 0.148 29.927 29.700 0.130 0.000 1.048 363 E HN 0.788 nan 8.360 nan 0.000 0.488 364 I N -1.469 119.157 120.570 0.092 0.000 2.834 364 I HA 0.522 4.691 4.170 -0.000 0.000 0.305 364 I C 0.514 176.655 176.117 0.040 0.000 1.008 364 I CA -1.080 60.254 61.300 0.057 0.000 1.273 364 I CB 0.804 38.836 38.000 0.052 0.000 1.432 364 I HN -0.247 nan 8.210 nan 0.000 0.557 365 A N 3.298 126.128 122.820 0.017 0.000 2.565 365 A HA 0.487 4.807 4.320 -0.000 0.000 0.237 365 A C 0.897 178.485 177.584 0.007 0.000 1.053 365 A CA 0.691 52.725 52.037 -0.005 0.000 0.755 365 A CB -1.297 17.704 19.000 0.002 0.000 0.980 365 A HN 1.942 nan 8.150 nan 0.000 0.506 366 G N 0.976 109.755 108.800 -0.036 0.000 2.508 366 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.220 366 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.220 366 G C 0.676 175.556 174.900 -0.034 0.000 1.287 366 G CA 0.013 45.105 45.100 -0.014 0.000 0.916 366 G HN 0.963 nan 8.290 nan 0.000 0.574 367 I N 1.540 122.144 120.570 0.056 0.000 2.315 367 I HA 0.184 4.354 4.170 -0.000 0.000 0.248 367 I C 2.486 178.754 176.117 0.251 0.000 1.117 367 I CA 1.995 63.380 61.300 0.143 0.000 1.404 367 I CB -0.419 37.684 38.000 0.171 0.000 1.071 367 I HN 2.058 nan 8.210 nan 0.000 0.419 368 G N 0.718 109.605 108.800 0.145 0.000 2.159 368 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.227 368 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.227 368 G C 0.032 174.971 174.900 0.064 0.000 0.986 368 G CA -0.016 45.152 45.100 0.112 0.000 0.651 368 G HN 0.183 nan 8.290 nan 0.000 0.523 369 V N 0.431 120.371 119.914 0.043 0.000 2.686 369 V HA 0.676 4.796 4.120 -0.000 0.000 0.306 369 V C -0.062 175.967 176.094 -0.108 0.000 1.065 369 V CA -0.897 61.395 62.300 -0.012 0.000 0.894 369 V CB 1.899 33.721 31.823 -0.001 0.000 1.004 369 V HN 0.374 nan 8.190 nan 0.000 0.424 370 E N 2.538 122.591 120.200 -0.246 0.000 2.412 370 E HA 0.637 4.987 4.350 -0.000 0.000 0.255 370 E C -1.154 175.184 176.600 -0.437 0.000 0.933 370 E CA -1.035 54.939 56.400 -0.709 0.000 0.823 370 E CB 3.159 32.347 29.700 -0.853 0.000 1.352 370 E HN 0.584 nan 8.360 nan 0.000 0.406 371 I N 0.903 121.112 120.570 -0.603 0.000 2.404 371 I HA 0.165 4.335 4.170 -0.000 0.000 0.293 371 I C -0.871 175.049 176.117 -0.328 0.000 0.992 371 I CA -0.516 60.525 61.300 -0.431 0.000 1.149 371 I CB 1.252 39.117 38.000 -0.225 0.000 1.315 371 I HN 0.341 nan 8.210 nan 0.000 0.446 372 D N 7.619 127.810 120.400 -0.349 0.000 2.374 372 D HA 0.114 4.754 4.640 -0.000 0.000 0.240 372 D C 1.051 177.261 176.300 -0.150 0.000 1.229 372 D CA -0.051 53.834 54.000 -0.192 0.000 0.895 372 D CB 0.880 41.587 40.800 -0.154 0.000 1.046 372 D HN 0.542 nan 8.370 nan 0.000 0.498 373 R N 2.918 123.370 120.500 -0.079 0.000 2.091 373 R HA -0.147 4.193 4.340 -0.000 0.000 0.238 373 R C 1.616 177.890 176.300 -0.043 0.000 1.136 373 R CA 1.179 57.251 56.100 -0.047 0.000 0.959 373 R CB -0.016 30.273 30.300 -0.018 0.000 0.856 373 R HN 0.653 nan 8.270 nan 0.000 0.437 374 E N 0.665 120.841 120.200 -0.040 0.000 2.072 374 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 374 E C 2.018 178.600 176.600 -0.031 0.000 0.985 374 E CA 1.064 57.443 56.400 -0.036 0.000 0.801 374 E CB -0.195 29.486 29.700 -0.032 0.000 0.750 374 E HN 0.273 nan 8.360 nan 0.000 0.452 375 A N 1.912 124.719 122.820 -0.021 0.000 1.930 375 A HA 0.028 4.347 4.320 -0.000 0.000 0.217 375 A C 2.461 180.116 177.584 0.118 0.000 1.175 375 A CA 1.505 53.564 52.037 0.036 0.000 0.627 375 A CB -0.514 18.504 19.000 0.030 0.000 0.815 375 A HN 0.301 nan 8.150 nan 0.000 0.443 376 A N -0.079 122.762 122.820 0.034 0.000 1.930 376 A HA 0.241 4.561 4.320 -0.000 0.000 0.217 376 A C 2.369 180.019 177.584 0.110 0.000 1.175 376 A CA 1.611 53.704 52.037 0.093 0.000 0.627 376 A CB -0.908 18.069 19.000 -0.038 0.000 0.815 376 A HN 1.099 nan 8.150 nan 0.000 0.443 377 A N 0.152 122.982 122.820 0.017 0.000 2.234 377 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 377 A C 1.503 179.033 177.584 -0.090 0.000 1.167 377 A CA 1.410 53.434 52.037 -0.021 0.000 0.698 377 A CB -0.514 18.462 19.000 -0.039 0.000 0.779 377 A HN 0.698 nan 8.150 nan 0.000 0.475 378 E N -1.717 118.371 120.200 -0.187 0.000 2.465 378 E HA 0.177 4.527 4.350 -0.000 0.000 0.191 378 E C -1.034 175.062 176.600 -0.840 0.000 1.053 378 E CA -0.089 55.988 56.400 -0.539 0.000 0.869 378 E CB 0.123 29.376 29.700 -0.745 0.000 0.977 378 E HN 0.655 nan 8.360 nan 0.000 0.483 379 F N 0.603 120.556 119.950 0.005 0.000 2.794 379 F HA 0.278 4.805 4.527 -0.000 0.000 0.353 379 F C -2.321 173.494 175.800 0.024 0.000 1.371 379 F CA -2.494 55.518 58.000 0.019 0.000 1.173 379 F CB 0.610 39.628 39.000 0.031 0.000 1.693 379 F HN -0.202 nan 8.300 nan 0.000 0.606 380 P HA 0.000 nan 4.420 nan 0.000 0.216 380 P CA 0.000 63.152 63.100 0.086 0.000 0.800 380 P CB 0.000 31.743 31.700 0.072 0.000 0.726