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 1m85_1_A DATA FIRST_RESID 4 DATA SEQUENCE KKLTTAAGAP VVDNNNVITA GPRGPMLLQD VWFLEKLAHF DREVIPERRX DATA SEQUENCE HAKGSGAFGT FTVTHDITKY TRAKIFSEVG KKTEMFARFS TVAGERGAAD DATA SEQUENCE AERDIRGFAL KFYTEEGNWD MVGNNTPVFY LRDPLKFPDL NHIVKRDPRT DATA SEQUENCE NMRNMAYKWD FFSHLPESLH QLTIDMSDRG LPLSYRFVHG FGSHTYSFIN DATA SEQUENCE KDNERFWVKF HFRCQQGIKN LMDDEAEALV GKDRESSQRD LFEAIERGDY DATA SEQUENCE PRWKLQIQIM PEKEASTVPY NPFDLTKVWP HADYPLMDVG YFELNRNPDN DATA SEQUENCE YFSDVEQAAF SPANIVPGIS FSPDKMLQGR LFSYGDAHRY RLGVNHHQIP DATA SEQUENCE VNAPKCPFHN YHRDGAMRVD GNSGNGITYE PNSGGVFQEQ PDFKEPPLSI DATA SEQUENCE EGAADHWNHR EDEDYFSQPR ALYELLSDDE HQRMFARIAG ELSQASKETQ DATA SEQUENCE QRQIDLFTKV HPEYGAGVEK AIKVLE 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.582 176.600 -0.030 0.000 0.988 4 K CA 0.000 56.276 56.287 -0.018 0.000 0.838 4 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 5 K N 1.681 122.057 120.400 -0.040 0.000 2.156 5 K HA 0.325 4.645 4.320 -0.001 0.000 0.271 5 K C -0.344 176.205 176.600 -0.085 0.000 0.995 5 K CA -0.773 55.478 56.287 -0.061 0.000 0.890 5 K CB 1.447 33.911 32.500 -0.061 0.000 1.073 5 K HN -0.144 nan 8.250 nan 0.000 0.454 6 L N 3.233 124.384 121.223 -0.120 0.000 2.477 6 L HA 0.082 4.421 4.340 -0.001 0.000 0.272 6 L C 0.061 176.779 176.870 -0.254 0.000 1.157 6 L CA 0.958 55.688 54.840 -0.184 0.000 0.889 6 L CB 0.371 42.288 42.059 -0.237 0.000 1.158 6 L HN 0.796 nan 8.230 nan 0.000 0.473 7 T N 1.001 115.420 114.554 -0.225 0.000 2.916 7 T HA 0.707 5.056 4.350 -0.001 0.000 0.292 7 T C 0.148 174.726 174.700 -0.202 0.000 1.064 7 T CA -0.079 61.895 62.100 -0.210 0.000 1.011 7 T CB 1.303 70.106 68.868 -0.107 0.000 1.152 7 T HN 0.747 nan 8.240 nan 0.000 0.510 8 T N -0.244 114.233 114.554 -0.128 0.000 2.754 8 T HA 0.554 4.904 4.350 -0.001 0.000 0.286 8 T C 1.837 176.573 174.700 0.061 0.000 0.997 8 T CA -0.224 61.907 62.100 0.051 0.000 0.982 8 T CB 0.234 69.167 68.868 0.108 0.000 1.027 8 T HN 1.031 nan 8.240 nan 0.000 0.529 9 A N 0.351 123.227 122.820 0.094 0.000 2.070 9 A HA 0.280 4.600 4.320 -0.001 0.000 0.220 9 A C 2.395 180.010 177.584 0.051 0.000 1.159 9 A CA 1.342 53.409 52.037 0.050 0.000 0.656 9 A CB -1.276 17.755 19.000 0.052 0.000 0.800 9 A HN 1.209 nan 8.150 nan 0.000 0.453 10 A N -2.034 120.821 122.820 0.058 0.000 2.251 10 A HA 0.435 4.755 4.320 -0.001 0.000 0.209 10 A C 1.676 179.274 177.584 0.023 0.000 1.187 10 A CA 1.110 53.173 52.037 0.043 0.000 0.823 10 A CB -0.675 18.355 19.000 0.050 0.000 0.846 10 A HN 1.796 nan 8.150 nan 0.000 0.486 11 G N -2.042 106.765 108.800 0.012 0.000 2.141 11 G HA2 0.124 4.084 3.960 -0.001 0.000 0.231 11 G HA3 0.124 4.084 3.960 -0.001 0.000 0.231 11 G C 0.335 175.222 174.900 -0.022 0.000 0.984 11 G CA 0.196 45.291 45.100 -0.008 0.000 0.660 11 G HN 1.530 nan 8.290 nan 0.000 0.525 12 A N 0.361 123.168 122.820 -0.022 0.000 2.327 12 A HA 0.783 5.102 4.320 -0.001 0.000 0.283 12 A C -1.876 175.657 177.584 -0.086 0.000 1.127 12 A CA -1.294 50.721 52.037 -0.036 0.000 0.810 12 A CB 0.689 19.682 19.000 -0.011 0.000 1.066 12 A HN 0.114 nan 8.150 nan 0.000 0.492 13 P HA 0.200 nan 4.420 nan 0.000 0.268 13 P C -0.751 176.430 177.300 -0.198 0.000 1.204 13 P CA 0.047 63.066 63.100 -0.136 0.000 0.768 13 P CB 0.715 32.358 31.700 -0.095 0.000 0.842 14 V N 4.962 124.686 119.914 -0.316 0.000 2.383 14 V HA 0.021 4.141 4.120 -0.001 0.000 0.275 14 V C 1.489 177.409 176.094 -0.290 0.000 1.036 14 V CA -0.003 62.022 62.300 -0.459 0.000 0.889 14 V CB 1.334 32.583 31.823 -0.956 0.000 0.985 14 V HN 0.389 nan 8.190 nan 0.000 0.459 15 V N 2.615 122.416 119.914 -0.189 0.000 2.283 15 V HA 0.010 4.129 4.120 -0.001 0.000 0.243 15 V C 0.727 176.770 176.094 -0.085 0.000 1.039 15 V CA 1.559 63.796 62.300 -0.105 0.000 1.016 15 V CB -0.062 31.730 31.823 -0.051 0.000 0.650 15 V HN 0.921 nan 8.190 nan 0.000 0.449 16 D N -0.994 119.369 120.400 -0.061 0.000 2.686 16 D HA 0.226 4.865 4.640 -0.001 0.000 0.249 16 D C -0.284 176.058 176.300 0.070 0.000 1.260 16 D CA -0.301 53.699 54.000 0.001 0.000 0.910 16 D CB 1.362 42.183 40.800 0.035 0.000 1.323 16 D HN 0.067 nan 8.370 nan 0.000 0.561 17 N N 2.791 121.532 118.700 0.068 0.000 2.203 17 N HA 0.144 4.884 4.740 -0.001 0.000 0.207 17 N C 0.182 175.802 175.510 0.183 0.000 1.130 17 N CA 0.146 53.329 53.050 0.222 0.000 0.861 17 N CB 0.340 38.913 38.487 0.143 0.000 1.005 17 N HN 0.270 nan 8.380 nan 0.000 0.507 18 N N -0.922 117.846 118.700 0.113 0.000 2.239 18 N HA 0.136 4.875 4.740 -0.001 0.000 0.208 18 N C -0.929 174.620 175.510 0.065 0.000 1.200 18 N CA 0.107 53.203 53.050 0.077 0.000 0.895 18 N CB 0.528 39.042 38.487 0.045 0.000 1.085 18 N HN 0.127 nan 8.380 nan 0.000 0.500 19 N N 1.322 120.065 118.700 0.072 0.000 2.352 19 N HA 0.199 4.939 4.740 -0.001 0.000 0.291 19 N C -0.129 175.418 175.510 0.062 0.000 1.040 19 N CA -0.303 52.776 53.050 0.049 0.000 0.864 19 N CB 3.165 41.669 38.487 0.028 0.000 1.440 19 N HN -0.191 nan 8.380 nan 0.000 0.483 20 V N -0.351 119.579 119.914 0.028 0.000 3.264 20 V HA 0.503 4.622 4.120 -0.001 0.000 0.304 20 V C 0.747 176.833 176.094 -0.012 0.000 1.086 20 V CA -0.686 61.615 62.300 0.001 0.000 1.090 20 V CB 0.518 32.263 31.823 -0.130 0.000 1.112 20 V HN 0.454 nan 8.190 nan 0.000 0.472 21 I N 2.628 123.188 120.570 -0.017 0.000 2.352 21 I HA 0.445 4.614 4.170 -0.001 0.000 0.290 21 I C 0.527 176.617 176.117 -0.046 0.000 1.036 21 I CA 0.201 61.493 61.300 -0.013 0.000 1.336 21 I CB 1.111 39.117 38.000 0.010 0.000 1.407 21 I HN 1.010 nan 8.210 nan 0.000 0.497 22 T N 2.250 116.782 114.554 -0.036 0.000 2.916 22 T HA 0.657 5.007 4.350 -0.001 0.000 0.292 22 T C -0.173 174.511 174.700 -0.027 0.000 1.055 22 T CA -1.018 61.056 62.100 -0.043 0.000 1.009 22 T CB 1.949 70.790 68.868 -0.046 0.000 1.118 22 T HN 0.558 nan 8.240 nan 0.000 0.497 23 A N 1.281 124.085 122.820 -0.027 0.000 2.990 23 A HA 0.686 5.005 4.320 -0.001 0.000 0.282 23 A C 1.193 178.767 177.584 -0.016 0.000 1.688 23 A CA 0.213 52.239 52.037 -0.018 0.000 1.391 23 A CB -1.659 17.330 19.000 -0.018 0.000 1.112 23 A HN 2.146 nan 8.150 nan 0.000 0.588 24 G N 2.479 111.271 108.800 -0.014 0.000 2.699 24 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.686 24 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.686 24 G C -1.245 173.646 174.900 -0.014 0.000 1.301 24 G CA -0.299 44.794 45.100 -0.012 0.000 0.816 24 G HN 0.361 nan 8.290 nan 0.000 0.595 25 P HA -0.130 nan 4.420 nan 0.000 0.216 25 P C 1.065 178.356 177.300 -0.015 0.000 1.150 25 P CA 1.403 64.496 63.100 -0.012 0.000 0.843 25 P CB 0.101 31.796 31.700 -0.009 0.000 0.787 26 R N -0.202 120.289 120.500 -0.015 0.000 2.700 26 R HA 0.368 4.708 4.340 -0.001 0.000 0.377 26 R C 0.901 177.189 176.300 -0.019 0.000 1.130 26 R CA -0.271 55.819 56.100 -0.016 0.000 1.055 26 R CB 0.824 31.117 30.300 -0.013 0.000 1.387 26 R HN 0.150 nan 8.270 nan 0.000 0.580 27 G N 1.584 110.371 108.800 -0.022 0.000 2.491 27 G HA2 0.420 4.380 3.960 -0.001 0.000 0.327 27 G HA3 0.420 4.380 3.960 -0.001 0.000 0.327 27 G C -2.367 172.512 174.900 -0.034 0.000 1.189 27 G CA -1.155 43.930 45.100 -0.024 0.000 0.956 27 G HN -0.097 nan 8.290 nan 0.000 0.491 28 P HA 0.142 nan 4.420 nan 0.000 0.272 28 P C -0.079 177.183 177.300 -0.063 0.000 1.230 28 P CA -0.210 62.861 63.100 -0.048 0.000 0.788 28 P CB 0.866 32.544 31.700 -0.037 0.000 0.949 29 M N 1.020 120.564 119.600 -0.094 0.000 2.245 29 M HA 0.147 4.627 4.480 -0.001 0.000 0.344 29 M C 0.321 176.567 176.300 -0.091 0.000 1.170 29 M CA 0.138 55.360 55.300 -0.129 0.000 1.135 29 M CB 0.011 32.469 32.600 -0.237 0.000 1.574 29 M HN 0.196 nan 8.290 nan 0.000 0.452 30 L N 2.997 124.175 121.223 -0.075 0.000 2.307 30 L HA 0.166 4.505 4.340 -0.001 0.000 0.282 30 L C 0.977 177.835 176.870 -0.020 0.000 1.051 30 L CA -0.574 54.245 54.840 -0.035 0.000 0.804 30 L CB 1.304 43.354 42.059 -0.015 0.000 1.197 30 L HN 0.719 nan 8.230 nan 0.000 0.431 31 L N 2.850 124.076 121.223 0.006 0.000 2.191 31 L HA -0.213 4.126 4.340 -0.001 0.000 0.212 31 L C 2.429 179.336 176.870 0.063 0.000 1.103 31 L CA 1.660 56.523 54.840 0.039 0.000 0.769 31 L CB -0.487 41.594 42.059 0.038 0.000 0.908 31 L HN 0.809 nan 8.230 nan 0.000 0.438 32 Q N -1.323 118.506 119.800 0.049 0.000 2.541 32 Q HA -0.155 4.184 4.340 -0.001 0.000 0.215 32 Q C 0.159 176.210 176.000 0.085 0.000 0.977 32 Q CA 0.597 56.436 55.803 0.060 0.000 0.934 32 Q CB -0.667 28.097 28.738 0.044 0.000 0.988 32 Q HN 0.387 nan 8.270 nan 0.000 0.521 33 D N 1.927 122.387 120.400 0.100 0.000 2.498 33 D HA 0.010 4.649 4.640 -0.001 0.000 0.229 33 D C 1.257 177.683 176.300 0.210 0.000 1.188 33 D CA -0.158 53.932 54.000 0.150 0.000 1.028 33 D CB 1.067 41.941 40.800 0.124 0.000 1.087 33 D HN 0.214 nan 8.370 nan 0.000 0.510 34 V N 2.182 122.206 119.914 0.183 0.000 2.626 34 V HA -0.102 4.018 4.120 -0.001 0.000 0.252 34 V C 2.069 178.295 176.094 0.220 0.000 1.067 34 V CA 0.750 63.154 62.300 0.174 0.000 1.081 34 V CB -0.934 30.974 31.823 0.142 0.000 0.686 34 V HN 0.590 nan 8.190 nan 0.000 0.468 35 W N 0.413 121.764 121.300 0.086 0.000 2.409 35 W HA -0.169 4.490 4.660 -0.001 0.000 0.299 35 W C 2.277 178.840 176.519 0.074 0.000 1.203 35 W CA 1.274 58.657 57.345 0.063 0.000 1.298 35 W CB -0.251 29.240 29.460 0.052 0.000 1.127 35 W HN 0.393 nan 8.180 nan 0.000 0.528 36 F N 1.844 121.711 119.950 -0.139 0.000 2.095 36 F HA -0.244 4.282 4.527 -0.001 0.000 0.298 36 F C 2.231 177.899 175.800 -0.220 0.000 1.104 36 F CA 2.323 60.182 58.000 -0.235 0.000 1.232 36 F CB -0.926 38.027 39.000 -0.079 0.000 0.987 36 F HN -0.239 nan 8.300 nan 0.000 0.475 37 L N 0.184 121.291 121.223 -0.194 0.000 2.012 37 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 37 L C 2.600 179.312 176.870 -0.262 0.000 1.073 37 L CA 2.057 56.763 54.840 -0.224 0.000 0.748 37 L CB -0.950 41.119 42.059 0.017 0.000 0.891 37 L HN 0.303 nan 8.230 nan 0.000 0.431 38 E N 0.653 120.733 120.200 -0.200 0.000 2.028 38 E HA -0.276 4.074 4.350 -0.001 0.000 0.191 38 E C 2.275 178.703 176.600 -0.287 0.000 0.988 38 E CA 1.307 57.630 56.400 -0.128 0.000 0.799 38 E CB 0.059 29.753 29.700 -0.011 0.000 0.755 38 E HN 0.273 nan 8.360 nan 0.000 0.447 39 K N 0.105 120.049 120.400 -0.760 0.000 2.032 39 K HA -0.140 4.179 4.320 -0.001 0.000 0.209 39 K C 2.169 178.516 176.600 -0.423 0.000 1.048 39 K CA 1.060 56.856 56.287 -0.819 0.000 0.927 39 K CB 0.004 31.731 32.500 -1.288 0.000 0.712 39 K HN 0.191 nan 8.250 nan 0.000 0.441 40 L N 0.442 121.356 121.223 -0.515 0.000 2.156 40 L HA -0.038 4.301 4.340 -0.001 0.000 0.208 40 L C 2.458 179.254 176.870 -0.123 0.000 1.095 40 L CA 1.523 56.165 54.840 -0.330 0.000 0.770 40 L CB -1.175 40.492 42.059 -0.654 0.000 0.914 40 L HN 0.263 nan 8.230 nan 0.000 0.439 41 A N -1.419 121.298 122.820 -0.173 0.000 1.929 41 A HA -0.191 4.128 4.320 -0.001 0.000 0.216 41 A C 2.099 179.613 177.584 -0.116 0.000 1.176 41 A CA 0.978 52.937 52.037 -0.129 0.000 0.628 41 A CB -0.612 18.304 19.000 -0.140 0.000 0.816 41 A HN 0.430 nan 8.150 nan 0.000 0.444 42 H N -2.389 116.611 119.070 -0.116 0.000 2.395 42 H HA -0.079 4.477 4.556 -0.001 0.000 0.299 42 H C 1.942 177.231 175.328 -0.065 0.000 1.070 42 H CA 1.678 57.674 56.048 -0.087 0.000 1.356 42 H CB -0.220 29.493 29.762 -0.080 0.000 1.401 42 H HN 0.616 nan 8.280 nan 0.000 0.524 43 F N 2.514 122.427 119.950 -0.060 0.000 2.134 43 F HA -0.165 4.361 4.527 -0.001 0.000 0.299 43 F C 1.690 177.432 175.800 -0.097 0.000 1.097 43 F CA 1.236 59.178 58.000 -0.096 0.000 1.264 43 F CB -0.202 38.719 39.000 -0.131 0.000 1.001 43 F HN -0.054 nan 8.300 nan 0.000 0.479 44 D N 0.272 120.492 120.400 -0.301 0.000 2.310 44 D HA -0.093 4.546 4.640 -0.001 0.000 0.212 44 D C 1.441 177.561 176.300 -0.300 0.000 0.965 44 D CA 0.942 54.724 54.000 -0.365 0.000 0.879 44 D CB -0.231 40.469 40.800 -0.166 0.000 0.921 44 D HN 0.428 nan 8.370 nan 0.000 0.510 45 R N 0.152 120.505 120.500 -0.245 0.000 2.613 45 R HA 0.194 4.534 4.340 -0.001 0.000 0.361 45 R C 1.097 177.286 176.300 -0.185 0.000 1.072 45 R CA -0.103 55.881 56.100 -0.192 0.000 1.089 45 R CB 0.564 30.762 30.300 -0.170 0.000 1.343 45 R HN 0.138 nan 8.270 nan 0.000 0.571 46 E N 0.539 120.596 120.200 -0.239 0.000 2.152 46 E HA -0.042 4.308 4.350 -0.001 0.000 0.192 46 E C 0.284 176.735 176.600 -0.248 0.000 0.983 46 E CA 0.755 57.003 56.400 -0.254 0.000 0.818 46 E CB 0.368 29.914 29.700 -0.256 0.000 0.758 46 E HN 0.001 nan 8.360 nan 0.000 0.467 47 V N 2.986 122.797 119.914 -0.171 0.000 2.546 47 V HA 0.203 4.322 4.120 -0.001 0.000 0.284 47 V C 0.314 176.401 176.094 -0.010 0.000 1.050 47 V CA -0.351 61.907 62.300 -0.070 0.000 0.981 47 V CB 0.810 32.591 31.823 -0.070 0.000 0.990 47 V HN 0.118 nan 8.190 nan 0.000 0.474 48 I N 2.428 123.049 120.570 0.084 0.000 2.910 48 I HA 0.746 4.916 4.170 -0.001 0.000 0.310 48 I C -2.665 173.471 176.117 0.032 0.000 1.043 48 I CA -2.857 58.476 61.300 0.056 0.000 1.053 48 I CB 1.778 39.850 38.000 0.120 0.000 1.242 48 I HN 0.346 nan 8.210 nan 0.000 0.452 49 P HA 0.105 nan 4.420 nan 0.000 0.268 49 P C -0.977 176.352 177.300 0.049 0.000 1.205 49 P CA -0.132 62.976 63.100 0.014 0.000 0.771 49 P CB 0.449 32.143 31.700 -0.010 0.000 0.858 50 E N 2.603 122.848 120.200 0.076 0.000 2.391 50 E HA 0.197 4.546 4.350 -0.001 0.000 0.255 50 E C -0.445 176.209 176.600 0.090 0.000 1.187 50 E CA -0.805 55.648 56.400 0.087 0.000 0.941 50 E CB 0.552 30.308 29.700 0.094 0.000 1.010 50 E HN 0.251 nan 8.360 nan 0.000 0.458 51 R N 0.838 121.394 120.500 0.093 0.000 2.570 51 R HA 0.076 4.415 4.340 -0.001 0.000 0.277 51 R C 0.416 176.776 176.300 0.100 0.000 1.039 51 R CA -0.383 55.773 56.100 0.093 0.000 1.065 51 R CB 0.403 30.767 30.300 0.106 0.000 0.964 51 R HN 0.427 nan 8.270 nan 0.000 0.428 55 A N 0.819 123.749 122.820 0.184 0.000 1.969 55 A HA -0.101 4.218 4.320 -0.001 0.000 0.218 55 A C 1.411 179.095 177.584 0.167 0.000 1.169 55 A CA 1.220 53.349 52.037 0.154 0.000 0.635 55 A CB 0.028 19.102 19.000 0.123 0.000 0.810 55 A HN 0.117 nan 8.150 nan 0.000 0.445 56 K N 0.129 120.632 120.400 0.172 0.000 2.234 56 K HA 0.533 4.852 4.320 -0.001 0.000 0.277 56 K C -0.070 176.672 176.600 0.237 0.000 1.038 56 K CA 0.632 57.035 56.287 0.194 0.000 0.888 56 K CB 0.732 33.333 32.500 0.168 0.000 1.091 56 K HN 0.314 nan 8.250 nan 0.000 0.467 57 G N 0.867 109.831 108.800 0.273 0.000 2.608 57 G HA2 0.549 4.509 3.960 -0.001 0.000 0.291 57 G HA3 0.549 4.509 3.960 -0.001 0.000 0.291 57 G C -1.505 173.597 174.900 0.337 0.000 1.425 57 G CA -0.735 44.514 45.100 0.250 0.000 0.787 57 G HN 0.482 nan 8.290 nan 0.000 0.484 58 S N -1.605 114.217 115.700 0.204 0.000 2.541 58 S HA 0.881 5.350 4.470 -0.001 0.000 0.280 58 S C -0.013 174.548 174.600 -0.065 0.000 1.112 58 S CA -0.188 58.171 58.200 0.265 0.000 0.925 58 S CB 1.964 65.433 63.200 0.449 0.000 1.067 58 S HN 1.346 nan 8.310 nan 0.000 0.479 59 G N 0.291 109.058 108.800 -0.054 0.000 2.658 59 G HA2 0.879 4.838 3.960 -0.001 0.000 0.292 59 G HA3 0.879 4.838 3.960 -0.001 0.000 0.292 59 G C -1.518 173.208 174.900 -0.290 0.000 1.320 59 G CA -0.677 44.172 45.100 -0.419 0.000 0.933 59 G HN 1.061 nan 8.290 nan 0.000 0.476 60 A N -0.477 121.957 122.820 -0.644 0.000 2.594 60 A HA 0.715 5.034 4.320 -0.001 0.000 0.296 60 A C -1.665 175.679 177.584 -0.399 0.000 1.061 60 A CA -0.719 51.149 52.037 -0.280 0.000 0.689 60 A CB 0.830 19.768 19.000 -0.103 0.000 1.280 60 A HN 0.593 nan 8.150 nan 0.000 0.406 61 F N 0.758 120.740 119.950 0.054 0.000 2.377 61 F HA 0.702 5.228 4.527 -0.001 0.000 0.328 61 F C 1.214 177.023 175.800 0.014 0.000 1.094 61 F CA 1.193 59.258 58.000 0.109 0.000 1.093 61 F CB 2.179 41.269 39.000 0.150 0.000 1.214 61 F HN 0.928 nan 8.300 nan 0.000 0.518 62 G N 0.057 108.997 108.800 0.232 0.000 2.731 62 G HA2 0.613 4.572 3.960 -0.001 0.000 0.309 62 G HA3 0.613 4.572 3.960 -0.001 0.000 0.309 62 G C -1.703 173.323 174.900 0.209 0.000 1.273 62 G CA -0.745 44.462 45.100 0.179 0.000 0.798 62 G HN 0.494 nan 8.290 nan 0.000 0.509 63 T N 0.209 114.915 114.554 0.252 0.000 2.952 63 T HA 0.517 4.866 4.350 -0.001 0.000 0.305 63 T C -1.708 173.215 174.700 0.371 0.000 1.064 63 T CA -0.227 62.034 62.100 0.268 0.000 1.008 63 T CB 1.864 70.840 68.868 0.178 0.000 1.078 63 T HN 0.502 nan 8.240 nan 0.000 0.459 64 F N 2.492 122.596 119.950 0.257 0.000 2.421 64 F HA 0.655 5.182 4.527 -0.001 0.000 0.337 64 F C -0.200 175.645 175.800 0.074 0.000 1.105 64 F CA -0.215 57.957 58.000 0.286 0.000 1.049 64 F CB 1.335 40.613 39.000 0.464 0.000 1.139 64 F HN 0.449 nan 8.300 nan 0.000 0.479 65 T N 5.576 119.557 114.554 -0.954 0.000 2.841 65 T HA 0.425 4.774 4.350 -0.001 0.000 0.285 65 T C -0.930 173.219 174.700 -0.920 0.000 0.991 65 T CA -0.593 61.032 62.100 -0.791 0.000 0.966 65 T CB 1.474 69.852 68.868 -0.817 0.000 0.962 65 T HN 0.359 nan 8.240 nan 0.000 0.438 66 V N 3.899 123.577 119.914 -0.394 0.000 2.530 66 V HA 0.276 4.395 4.120 -0.001 0.000 0.282 66 V C 1.581 177.647 176.094 -0.045 0.000 1.048 66 V CA 0.051 62.289 62.300 -0.104 0.000 0.997 66 V CB 0.956 32.870 31.823 0.151 0.000 0.987 66 V HN 1.179 nan 8.190 nan 0.000 0.477 67 T N 0.484 115.076 114.554 0.062 0.000 2.978 67 T HA 0.228 4.578 4.350 -0.001 0.000 0.248 67 T C 0.427 175.088 174.700 -0.064 0.000 1.018 67 T CA 0.161 62.307 62.100 0.077 0.000 1.026 67 T CB 0.102 69.118 68.868 0.247 0.000 1.032 67 T HN 0.638 nan 8.240 nan 0.000 0.485 68 H N 0.613 119.720 119.070 0.062 0.000 2.747 68 H HA 0.620 5.175 4.556 -0.001 0.000 0.371 68 H C -1.290 174.062 175.328 0.041 0.000 1.161 68 H CA -1.021 55.056 56.048 0.049 0.000 1.167 68 H CB 1.348 31.141 29.762 0.051 0.000 1.732 68 H HN 0.016 nan 8.280 nan 0.000 0.544 69 D N 2.340 122.811 120.400 0.118 0.000 2.339 69 D HA 0.091 4.730 4.640 -0.001 0.000 0.241 69 D C 0.417 176.732 176.300 0.025 0.000 1.183 69 D CA -0.142 53.889 54.000 0.053 0.000 0.859 69 D CB 0.437 41.243 40.800 0.010 0.000 1.067 69 D HN 0.650 nan 8.370 nan 0.000 0.484 70 I N 0.854 121.425 120.570 0.000 0.000 3.833 70 I HA 0.146 4.315 4.170 -0.001 0.000 0.328 70 I C 1.489 177.531 176.117 -0.124 0.000 1.554 70 I CA -0.483 60.796 61.300 -0.034 0.000 1.116 70 I CB 0.315 38.334 38.000 0.033 0.000 1.182 70 I HN 0.105 nan 8.210 nan 0.000 0.459 71 T N -0.801 113.685 114.554 -0.114 0.000 2.977 71 T HA -0.165 4.185 4.350 -0.001 0.000 0.271 71 T C 1.654 176.247 174.700 -0.180 0.000 1.105 71 T CA 1.580 63.612 62.100 -0.114 0.000 1.116 71 T CB -0.441 68.390 68.868 -0.062 0.000 0.878 71 T HN 0.720 nan 8.240 nan 0.000 0.509 72 K N -0.245 119.959 120.400 -0.326 0.000 2.362 72 K HA -0.057 4.262 4.320 -0.001 0.000 0.200 72 K C 1.246 177.551 176.600 -0.491 0.000 1.046 72 K CA 0.969 57.005 56.287 -0.418 0.000 0.952 72 K CB -0.346 31.809 32.500 -0.574 0.000 0.753 72 K HN 0.420 nan 8.250 nan 0.000 0.466 73 Y N 0.700 120.812 120.300 -0.314 0.000 2.558 73 Y HA 0.216 4.765 4.550 -0.001 0.000 0.273 73 Y C 0.743 176.519 175.900 -0.207 0.000 1.100 73 Y CA -0.041 57.762 58.100 -0.495 0.000 1.276 73 Y CB 0.681 38.881 38.460 -0.434 0.000 1.196 73 Y HN 0.005 nan 8.280 nan 0.000 0.527 74 T N 0.478 114.932 114.554 -0.166 0.000 2.933 74 T HA 0.364 4.713 4.350 -0.001 0.000 0.305 74 T C 0.315 174.925 174.700 -0.150 0.000 1.092 74 T CA -0.843 61.087 62.100 -0.284 0.000 1.008 74 T CB 1.206 69.525 68.868 -0.915 0.000 1.102 74 T HN 0.364 nan 8.240 nan 0.000 0.469 75 R N 2.650 123.094 120.500 -0.094 0.000 2.317 75 R HA 0.561 4.901 4.340 -0.001 0.000 0.208 75 R C 0.791 177.056 176.300 -0.059 0.000 0.914 75 R CA -0.172 55.899 56.100 -0.047 0.000 1.060 75 R CB -0.101 30.194 30.300 -0.009 0.000 1.015 75 R HN 0.485 nan 8.270 nan 0.000 0.498 76 A N 2.334 125.078 122.820 -0.128 0.000 2.545 76 A HA 0.036 4.355 4.320 -0.001 0.000 0.253 76 A C 0.692 178.159 177.584 -0.196 0.000 1.074 76 A CA -0.203 51.706 52.037 -0.212 0.000 0.760 76 A CB 0.347 19.115 19.000 -0.386 0.000 1.005 76 A HN 0.212 nan 8.150 nan 0.000 0.506 77 K N 2.517 122.821 120.400 -0.161 0.000 2.211 77 K HA -0.167 4.153 4.320 -0.001 0.000 0.204 77 K C 1.579 178.088 176.600 -0.151 0.000 1.047 77 K CA 1.419 57.643 56.287 -0.106 0.000 0.935 77 K CB -0.349 32.121 32.500 -0.050 0.000 0.728 77 K HN 0.893 nan 8.250 nan 0.000 0.452 78 I N -0.071 120.292 120.570 -0.346 0.000 2.361 78 I HA -0.228 3.941 4.170 -0.001 0.000 0.251 78 I C 0.774 176.719 176.117 -0.287 0.000 1.133 78 I CA 1.268 62.323 61.300 -0.409 0.000 1.413 78 I CB 0.105 37.649 38.000 -0.760 0.000 1.073 78 I HN -0.074 nan 8.210 nan 0.000 0.424 79 F N 0.360 120.292 119.950 -0.030 0.000 2.695 79 F HA 0.148 4.674 4.527 -0.001 0.000 0.303 79 F C 2.561 178.355 175.800 -0.009 0.000 1.091 79 F CA 0.374 58.379 58.000 0.008 0.000 1.300 79 F CB -0.962 37.993 39.000 -0.075 0.000 1.071 79 F HN 0.092 nan 8.300 nan 0.000 0.578 80 S N -0.646 115.114 115.700 0.100 0.000 2.402 80 S HA -0.164 4.305 4.470 -0.001 0.000 0.233 80 S C 0.622 175.255 174.600 0.055 0.000 1.030 80 S CA 1.106 59.340 58.200 0.056 0.000 1.003 80 S CB -0.245 62.968 63.200 0.021 0.000 0.813 80 S HN 0.489 nan 8.310 nan 0.000 0.477 81 E N -0.401 119.842 120.200 0.071 0.000 2.356 81 E HA 0.519 4.869 4.350 -0.001 0.000 0.275 81 E C -1.622 175.016 176.600 0.062 0.000 0.904 81 E CA -0.840 55.591 56.400 0.052 0.000 0.757 81 E CB 2.707 32.429 29.700 0.036 0.000 1.232 81 E HN 0.025 nan 8.360 nan 0.000 0.442 82 V N 1.973 121.910 119.914 0.038 0.000 2.508 82 V HA 0.327 4.446 4.120 -0.001 0.000 0.281 82 V C 1.209 177.312 176.094 0.015 0.000 1.041 82 V CA 1.512 63.826 62.300 0.024 0.000 1.016 82 V CB 0.634 32.453 31.823 -0.007 0.000 0.984 82 V HN 1.082 nan 8.190 nan 0.000 0.478 83 G N 3.972 112.775 108.800 0.005 0.000 2.213 83 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.236 83 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.236 83 G C 0.427 175.328 174.900 0.003 0.000 0.991 83 G CA 0.240 45.339 45.100 -0.001 0.000 0.629 83 G HN 0.702 nan 8.290 nan 0.000 0.517 84 K N 1.483 121.898 120.400 0.025 0.000 2.447 84 K HA 0.343 4.662 4.320 -0.001 0.000 0.281 84 K C 0.200 176.831 176.600 0.051 0.000 1.031 84 K CA 0.200 56.515 56.287 0.047 0.000 1.019 84 K CB 0.145 32.687 32.500 0.071 0.000 0.918 84 K HN 0.278 nan 8.250 nan 0.000 0.476 85 K N 2.674 123.110 120.400 0.061 0.000 2.159 85 K HA 0.257 4.576 4.320 -0.001 0.000 0.266 85 K C -0.904 175.788 176.600 0.153 0.000 0.975 85 K CA -0.609 55.729 56.287 0.085 0.000 0.865 85 K CB 1.966 34.504 32.500 0.062 0.000 1.087 85 K HN 0.483 nan 8.250 nan 0.000 0.446 86 T N 2.155 116.856 114.554 0.246 0.000 2.879 86 T HA 0.158 4.507 4.350 -0.001 0.000 0.290 86 T C -0.729 174.166 174.700 0.326 0.000 0.993 86 T CA -0.897 61.373 62.100 0.283 0.000 0.975 86 T CB 1.409 70.470 68.868 0.322 0.000 0.981 86 T HN 0.342 nan 8.240 nan 0.000 0.439 87 E N 3.000 123.374 120.200 0.289 0.000 2.392 87 E HA 0.443 4.792 4.350 -0.001 0.000 0.264 87 E C 0.010 176.837 176.600 0.379 0.000 1.024 87 E CA -0.108 56.484 56.400 0.320 0.000 0.903 87 E CB 0.840 30.708 29.700 0.279 0.000 0.963 87 E HN 0.639 nan 8.360 nan 0.000 0.432 88 M N 0.882 120.643 119.600 0.269 0.000 2.755 88 M HA 0.669 5.148 4.480 -0.001 0.000 0.273 88 M C -1.324 174.992 176.300 0.025 0.000 1.278 88 M CA -1.037 54.216 55.300 -0.079 0.000 0.819 88 M CB 1.511 33.786 32.600 -0.541 0.000 1.694 88 M HN 0.247 nan 8.290 nan 0.000 0.460 89 F N 0.339 119.975 119.950 -0.524 0.000 2.588 89 F HA 0.940 5.467 4.527 -0.001 0.000 0.310 89 F C -1.853 173.518 175.800 -0.715 0.000 1.082 89 F CA -0.628 57.015 58.000 -0.594 0.000 0.929 89 F CB 1.968 40.592 39.000 -0.627 0.000 1.254 89 F HN 1.110 nan 8.300 nan 0.000 0.455 90 A N 5.354 127.173 122.820 -1.669 0.000 2.414 90 A HA 0.822 5.141 4.320 -0.001 0.000 0.306 90 A C -1.504 174.943 177.584 -1.896 0.000 1.054 90 A CA -0.839 50.210 52.037 -1.646 0.000 0.724 90 A CB 1.687 19.719 19.000 -1.613 0.000 1.267 90 A HN 0.864 nan 8.150 nan 0.000 0.418 91 R N 2.190 121.773 120.500 -1.529 0.000 2.476 91 R HA 0.647 4.986 4.340 -0.001 0.000 0.305 91 R C -1.886 173.762 176.300 -1.087 0.000 0.965 91 R CA -0.354 55.079 56.100 -1.111 0.000 0.867 91 R CB 0.899 30.895 30.300 -0.507 0.000 1.176 91 R HN 0.639 nan 8.270 nan 0.000 0.447 92 F N 2.014 121.524 119.950 -0.733 0.000 2.470 92 F HA 0.560 5.086 4.527 -0.001 0.000 0.329 92 F C 0.540 175.871 175.800 -0.781 0.000 1.072 92 F CA -0.616 56.850 58.000 -0.890 0.000 0.989 92 F CB 2.278 40.503 39.000 -1.293 0.000 1.193 92 F HN 0.617 nan 8.300 nan 0.000 0.481 93 S N -0.759 114.793 115.700 -0.247 0.000 2.672 93 S HA 0.664 5.133 4.470 -0.001 0.000 0.271 93 S C -0.678 174.103 174.600 0.302 0.000 1.171 93 S CA -0.867 57.394 58.200 0.101 0.000 0.817 93 S CB 1.508 64.827 63.200 0.199 0.000 1.150 93 S HN 0.697 nan 8.310 nan 0.000 0.478 94 T N -1.705 113.013 114.554 0.274 0.000 2.892 94 T HA 0.740 5.090 4.350 -0.001 0.000 0.280 94 T C 0.767 175.437 174.700 -0.050 0.000 1.004 94 T CA -0.208 61.996 62.100 0.174 0.000 0.950 94 T CB 0.591 69.559 68.868 0.166 0.000 1.309 94 T HN 0.610 nan 8.240 nan 0.000 0.592 95 V N -0.181 119.663 119.914 -0.116 0.000 2.840 95 V HA 0.323 4.442 4.120 -0.001 0.000 0.234 95 V C 2.853 178.895 176.094 -0.086 0.000 1.159 95 V CA 0.762 62.878 62.300 -0.307 0.000 1.194 95 V CB -1.041 30.667 31.823 -0.192 0.000 0.971 95 V HN 1.012 nan 8.190 nan 0.000 0.494 96 A N 0.683 123.496 122.820 -0.013 0.000 1.970 96 A HA 0.259 4.578 4.320 -0.001 0.000 0.216 96 A C 1.599 179.200 177.584 0.028 0.000 1.170 96 A CA 1.118 53.159 52.037 0.007 0.000 0.645 96 A CB -0.962 18.045 19.000 0.011 0.000 0.816 96 A HN 0.573 nan 8.150 nan 0.000 0.447 97 G N 0.251 109.078 108.800 0.045 0.000 2.491 97 G HA2 0.415 4.374 3.960 -0.001 0.000 0.242 97 G HA3 0.415 4.374 3.960 -0.001 0.000 0.242 97 G C -0.268 174.672 174.900 0.068 0.000 1.266 97 G CA -0.283 44.852 45.100 0.057 0.000 0.844 97 G HN 0.440 nan 8.290 nan 0.000 0.571 98 E N -0.334 119.903 120.200 0.062 0.000 2.405 98 E HA 0.210 4.559 4.350 -0.001 0.000 0.253 98 E C 1.821 178.471 176.600 0.083 0.000 1.257 98 E CA -0.329 56.112 56.400 0.069 0.000 0.960 98 E CB 0.498 30.231 29.700 0.054 0.000 1.077 98 E HN 0.611 nan 8.360 nan 0.000 0.512 99 R N -0.169 120.384 120.500 0.089 0.000 2.355 99 R HA -0.054 4.285 4.340 -0.001 0.000 0.219 99 R C 0.886 177.235 176.300 0.081 0.000 1.107 99 R CA 1.461 57.623 56.100 0.103 0.000 1.021 99 R CB -0.292 30.079 30.300 0.119 0.000 0.852 99 R HN 0.421 nan 8.270 nan 0.000 0.475 100 G N -0.479 108.358 108.800 0.062 0.000 3.979 100 G HA2 0.461 4.421 3.960 -0.001 0.000 0.287 100 G HA3 0.461 4.421 3.960 -0.001 0.000 0.287 100 G C -0.024 174.902 174.900 0.044 0.000 1.011 100 G CA 0.014 45.140 45.100 0.044 0.000 0.818 100 G HN 0.415 nan 8.290 nan 0.000 0.470 101 A N 0.529 123.382 122.820 0.056 0.000 2.346 101 A HA 0.749 5.069 4.320 -0.001 0.000 0.252 101 A C 1.014 178.631 177.584 0.055 0.000 1.089 101 A CA 0.325 52.394 52.037 0.053 0.000 0.797 101 A CB 0.270 19.305 19.000 0.057 0.000 1.047 101 A HN 1.239 nan 8.150 nan 0.000 0.494 102 A N 0.593 123.442 122.820 0.048 0.000 2.546 102 A HA 0.266 4.586 4.320 -0.001 0.000 0.243 102 A C 0.643 178.260 177.584 0.055 0.000 1.063 102 A CA 0.176 52.240 52.037 0.045 0.000 0.757 102 A CB -0.114 18.909 19.000 0.038 0.000 0.991 102 A HN 0.789 nan 8.150 nan 0.000 0.503 103 D N 2.215 122.641 120.400 0.045 0.000 2.117 103 D HA -0.021 4.618 4.640 -0.001 0.000 0.198 103 D C 1.384 177.694 176.300 0.016 0.000 0.982 103 D CA 1.896 55.918 54.000 0.037 0.000 0.828 103 D CB -0.078 40.717 40.800 -0.009 0.000 0.967 103 D HN 0.650 nan 8.370 nan 0.000 0.464 104 A N 1.294 124.121 122.820 0.012 0.000 3.135 104 A HA 0.164 4.483 4.320 -0.001 0.000 0.253 104 A C 0.206 177.813 177.584 0.038 0.000 1.638 104 A CA -0.084 51.962 52.037 0.015 0.000 1.295 104 A CB -0.356 18.648 19.000 0.007 0.000 1.106 104 A HN 0.001 nan 8.150 nan 0.000 0.648 105 E N 0.014 120.246 120.200 0.055 0.000 2.232 105 E HA 0.315 4.664 4.350 -0.001 0.000 0.264 105 E C -0.191 176.457 176.600 0.080 0.000 0.973 105 E CA -1.006 55.434 56.400 0.066 0.000 0.849 105 E CB 1.588 31.330 29.700 0.071 0.000 1.198 105 E HN 0.493 nan 8.360 nan 0.000 0.407 106 R N 2.034 122.586 120.500 0.087 0.000 2.291 106 R HA 0.081 4.420 4.340 -0.001 0.000 0.333 106 R C -1.056 175.314 176.300 0.117 0.000 1.082 106 R CA 0.521 56.683 56.100 0.103 0.000 0.948 106 R CB 0.080 30.446 30.300 0.110 0.000 1.009 106 R HN 0.380 nan 8.270 nan 0.000 0.460 107 D N 2.898 123.373 120.400 0.124 0.000 2.725 107 D HA 0.249 4.888 4.640 -0.001 0.000 0.292 107 D C -0.681 175.708 176.300 0.149 0.000 1.288 107 D CA -0.568 53.514 54.000 0.136 0.000 0.784 107 D CB 1.207 42.078 40.800 0.118 0.000 1.308 107 D HN 0.346 nan 8.370 nan 0.000 0.429 108 I N 1.243 121.912 120.570 0.164 0.000 2.720 108 I HA 0.251 4.420 4.170 -0.001 0.000 0.287 108 I C 0.515 176.757 176.117 0.209 0.000 1.090 108 I CA -0.349 61.062 61.300 0.184 0.000 1.384 108 I CB 0.510 38.649 38.000 0.231 0.000 1.420 108 I HN 0.007 nan 8.210 nan 0.000 0.575 109 R N 3.598 124.248 120.500 0.249 0.000 2.445 109 R HA 0.397 4.736 4.340 -0.001 0.000 0.308 109 R C -0.187 176.305 176.300 0.320 0.000 0.961 109 R CA -0.734 55.544 56.100 0.296 0.000 0.862 109 R CB 1.426 31.926 30.300 0.334 0.000 1.144 109 R HN 0.789 nan 8.270 nan 0.000 0.447 110 G N 1.284 110.296 108.800 0.352 0.000 2.442 110 G HA2 0.278 4.237 3.960 -0.001 0.000 0.249 110 G HA3 0.278 4.237 3.960 -0.001 0.000 0.249 110 G C -0.888 174.122 174.900 0.184 0.000 1.263 110 G CA -0.150 45.131 45.100 0.302 0.000 0.846 110 G HN 0.494 nan 8.290 nan 0.000 0.555 111 F N 2.508 122.404 119.950 -0.090 0.000 2.710 111 F HA 0.549 5.075 4.527 -0.001 0.000 0.345 111 F C 0.410 175.964 175.800 -0.410 0.000 1.362 111 F CA -0.860 57.062 58.000 -0.131 0.000 1.175 111 F CB 0.784 39.697 39.000 -0.144 0.000 1.561 111 F HN 0.635 nan 8.300 nan 0.000 0.593 112 A N 5.297 127.717 122.820 -0.668 0.000 2.276 112 A HA 0.759 5.079 4.320 -0.001 0.000 0.300 112 A C -1.055 175.799 177.584 -1.217 0.000 1.235 112 A CA -0.343 51.056 52.037 -1.065 0.000 0.867 112 A CB 0.354 18.344 19.000 -1.683 0.000 1.137 112 A HN 0.624 nan 8.150 nan 0.000 0.527 113 L N 1.994 122.680 121.223 -0.895 0.000 2.362 113 L HA 0.620 4.960 4.340 -0.001 0.000 0.271 113 L C 0.033 176.516 176.870 -0.646 0.000 1.002 113 L CA -0.671 53.600 54.840 -0.947 0.000 0.818 113 L CB 2.156 43.462 42.059 -1.256 0.000 1.298 113 L HN 0.741 nan 8.230 nan 0.000 0.420 114 K N 2.600 122.552 120.400 -0.747 0.000 2.535 114 K HA 0.518 4.837 4.320 -0.001 0.000 0.253 114 K C -1.735 174.257 176.600 -1.013 0.000 0.953 114 K CA -0.412 55.459 56.287 -0.693 0.000 0.863 114 K CB 1.034 33.165 32.500 -0.615 0.000 1.111 114 K HN 0.322 nan 8.250 nan 0.000 0.431 115 F N 3.899 123.493 119.950 -0.593 0.000 2.404 115 F HA 0.296 4.822 4.527 -0.001 0.000 0.354 115 F C -0.370 175.223 175.800 -0.346 0.000 1.122 115 F CA -0.768 56.975 58.000 -0.428 0.000 1.080 115 F CB 0.787 39.641 39.000 -0.244 0.000 1.131 115 F HN 0.414 nan 8.300 nan 0.000 0.471 116 Y N 1.691 122.066 120.300 0.125 0.000 2.570 116 Y HA 0.201 4.751 4.550 -0.001 0.000 0.336 116 Y C 1.088 177.044 175.900 0.093 0.000 1.284 116 Y CA -0.973 57.177 58.100 0.083 0.000 1.761 116 Y CB -0.701 37.793 38.460 0.057 0.000 1.724 116 Y HN 0.538 nan 8.280 nan 0.000 0.455 117 T N -2.383 112.275 114.554 0.173 0.000 2.847 117 T HA 0.097 4.447 4.350 -0.001 0.000 0.279 117 T C 1.204 175.950 174.700 0.078 0.000 0.984 117 T CA -0.552 61.604 62.100 0.094 0.000 0.988 117 T CB 1.122 69.992 68.868 0.003 0.000 1.040 117 T HN 0.727 nan 8.240 nan 0.000 0.528 118 E N -0.039 120.187 120.200 0.043 0.000 2.418 118 E HA -0.077 4.272 4.350 -0.001 0.000 0.197 118 E C 0.868 177.476 176.600 0.013 0.000 1.026 118 E CA 0.816 57.239 56.400 0.039 0.000 0.862 118 E CB -0.056 29.664 29.700 0.034 0.000 0.799 118 E HN 0.840 nan 8.360 nan 0.000 0.518 119 E N 0.670 120.859 120.200 -0.020 0.000 2.685 119 E HA 0.300 4.650 4.350 -0.001 0.000 0.208 119 E C -0.135 176.421 176.600 -0.074 0.000 0.996 119 E CA -0.011 56.340 56.400 -0.080 0.000 1.054 119 E CB 1.159 30.781 29.700 -0.129 0.000 1.075 119 E HN 0.378 nan 8.360 nan 0.000 0.460 120 G N 1.266 110.062 108.800 -0.006 0.000 2.497 120 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.686 120 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.686 120 G C -1.069 173.868 174.900 0.062 0.000 1.288 120 G CA -1.111 44.001 45.100 0.021 0.000 0.899 120 G HN 0.222 nan 8.290 nan 0.000 0.608 121 N N -0.016 118.722 118.700 0.064 0.000 2.430 121 N HA 0.364 5.103 4.740 -0.001 0.000 0.265 121 N C -0.685 174.886 175.510 0.102 0.000 1.100 121 N CA -0.231 52.844 53.050 0.042 0.000 0.961 121 N CB 0.923 39.395 38.487 -0.024 0.000 1.075 121 N HN 0.568 nan 8.380 nan 0.000 0.478 122 W N 4.350 125.609 121.300 -0.068 0.000 2.314 122 W HA 0.289 4.948 4.660 -0.001 0.000 0.310 122 W C -1.117 175.409 176.519 0.012 0.000 1.075 122 W CA -0.980 56.340 57.345 -0.042 0.000 1.253 122 W CB 0.327 29.719 29.460 -0.114 0.000 1.238 122 W HN 0.396 nan 8.180 nan 0.000 0.440 123 D N 6.534 126.831 120.400 -0.171 0.000 2.233 123 D HA 0.175 4.814 4.640 -0.001 0.000 0.240 123 D C -0.187 175.813 176.300 -0.501 0.000 1.074 123 D CA -0.200 53.625 54.000 -0.292 0.000 0.838 123 D CB 1.585 42.352 40.800 -0.055 0.000 1.124 123 D HN 0.264 nan 8.370 nan 0.000 0.475 124 M N 3.813 123.024 119.600 -0.650 0.000 2.131 124 M HA 0.184 4.664 4.480 -0.001 0.000 0.345 124 M C -1.474 174.615 176.300 -0.352 0.000 1.060 124 M CA -0.822 54.142 55.300 -0.561 0.000 1.011 124 M CB 0.572 32.719 32.600 -0.756 0.000 1.328 124 M HN -0.024 nan 8.290 nan 0.000 0.396 125 V N 5.155 124.945 119.914 -0.207 0.000 2.267 125 V HA 0.489 4.608 4.120 -0.001 0.000 0.254 125 V C 0.984 177.030 176.094 -0.080 0.000 1.144 125 V CA -0.393 61.775 62.300 -0.221 0.000 0.992 125 V CB -0.455 31.220 31.823 -0.248 0.000 1.199 125 V HN 0.850 nan 8.190 nan 0.000 0.493 126 G N 3.007 111.770 108.800 -0.061 0.000 2.753 126 G HA2 0.615 4.575 3.960 -0.001 0.000 0.285 126 G HA3 0.615 4.575 3.960 -0.001 0.000 0.285 126 G C -0.726 174.230 174.900 0.092 0.000 1.344 126 G CA -0.608 44.530 45.100 0.063 0.000 1.050 126 G HN 0.481 nan 8.290 nan 0.000 0.532 127 N N -1.001 117.785 118.700 0.144 0.000 2.629 127 N HA 0.208 4.947 4.740 -0.001 0.000 0.279 127 N C 0.291 175.931 175.510 0.215 0.000 1.344 127 N CA -0.708 52.465 53.050 0.205 0.000 0.789 127 N CB 1.518 40.126 38.487 0.200 0.000 1.508 127 N HN 0.521 nan 8.380 nan 0.000 0.516 128 N N -1.111 117.737 118.700 0.246 0.000 2.370 128 N HA -0.023 4.717 4.740 -0.001 0.000 0.198 128 N C -0.371 175.358 175.510 0.366 0.000 1.156 128 N CA 0.122 53.335 53.050 0.270 0.000 0.839 128 N CB 0.083 38.720 38.487 0.250 0.000 0.989 128 N HN 0.398 nan 8.380 nan 0.000 0.468 129 T N 0.151 114.837 114.554 0.219 0.000 2.893 129 T HA 0.380 4.729 4.350 -0.001 0.000 0.293 129 T C -2.365 172.060 174.700 -0.459 0.000 1.027 129 T CA -1.864 60.169 62.100 -0.112 0.000 0.988 129 T CB 2.264 71.075 68.868 -0.095 0.000 1.043 129 T HN -0.161 nan 8.240 nan 0.000 0.461 130 P HA 0.113 nan 4.420 nan 0.000 0.241 130 P C 0.525 177.537 177.300 -0.480 0.000 1.191 130 P CA 0.362 62.895 63.100 -0.945 0.000 0.771 130 P CB -0.023 31.027 31.700 -1.082 0.000 0.929 131 V N -4.730 114.937 119.914 -0.412 0.000 3.139 131 V HA 0.782 4.901 4.120 -0.001 0.000 0.310 131 V C -0.838 175.192 176.094 -0.107 0.000 1.260 131 V CA -1.115 61.009 62.300 -0.295 0.000 1.064 131 V CB 1.945 33.484 31.823 -0.472 0.000 1.160 131 V HN -0.094 nan 8.190 nan 0.000 0.470 132 F N -1.779 118.006 119.950 -0.275 0.000 2.745 132 F HA 0.632 5.159 4.527 -0.001 0.000 0.316 132 F C 0.286 175.983 175.800 -0.171 0.000 1.155 132 F CA -1.018 56.836 58.000 -0.242 0.000 0.937 132 F CB 1.429 40.392 39.000 -0.062 0.000 1.361 132 F HN 0.534 nan 8.300 nan 0.000 0.472 133 Y N 1.312 121.314 120.300 -0.496 0.000 2.293 133 Y HA 0.105 4.654 4.550 -0.001 0.000 0.291 133 Y C 0.441 176.343 175.900 0.003 0.000 1.137 133 Y CA 0.845 58.787 58.100 -0.264 0.000 1.202 133 Y CB -0.417 37.870 38.460 -0.288 0.000 0.990 133 Y HN 0.082 nan 8.280 nan 0.000 0.537 134 L N -0.858 120.577 121.223 0.354 0.000 2.313 134 L HA 0.502 4.841 4.340 -0.001 0.000 0.268 134 L C 0.957 177.940 176.870 0.190 0.000 1.010 134 L CA -0.861 54.151 54.840 0.288 0.000 0.814 134 L CB 1.764 44.056 42.059 0.389 0.000 1.304 134 L HN -0.193 nan 8.230 nan 0.000 0.441 135 R N -0.774 119.736 120.500 0.016 0.000 2.279 135 R HA 0.185 4.525 4.340 -0.001 0.000 0.195 135 R C -0.449 175.793 176.300 -0.096 0.000 0.905 135 R CA 0.106 56.129 56.100 -0.129 0.000 1.044 135 R CB 0.641 30.636 30.300 -0.509 0.000 1.056 135 R HN 0.622 nan 8.270 nan 0.000 0.535 136 D N 0.452 120.848 120.400 -0.007 0.000 2.649 136 D HA 0.159 4.799 4.640 -0.001 0.000 0.249 136 D C -1.972 174.427 176.300 0.165 0.000 1.112 136 D CA -2.030 52.026 54.000 0.092 0.000 0.850 136 D CB 2.667 43.561 40.800 0.158 0.000 1.399 136 D HN -0.173 nan 8.370 nan 0.000 0.503 137 P HA -0.073 nan 4.420 nan 0.000 0.225 137 P C 1.698 179.113 177.300 0.192 0.000 1.148 137 P CA 0.409 63.608 63.100 0.164 0.000 0.779 137 P CB 0.569 32.322 31.700 0.089 0.000 0.780 138 L N -0.701 120.620 121.223 0.163 0.000 2.362 138 L HA -0.077 4.262 4.340 -0.001 0.000 0.219 138 L C 2.276 179.240 176.870 0.157 0.000 1.134 138 L CA 1.117 56.042 54.840 0.141 0.000 0.807 138 L CB -0.523 41.607 42.059 0.119 0.000 0.927 138 L HN -0.108 nan 8.230 nan 0.000 0.447 139 K N -0.940 119.589 120.400 0.215 0.000 2.426 139 K HA -0.005 4.314 4.320 -0.001 0.000 0.193 139 K C 1.721 178.473 176.600 0.255 0.000 1.028 139 K CA 0.438 56.879 56.287 0.257 0.000 1.047 139 K CB -0.072 32.609 32.500 0.302 0.000 0.821 139 K HN 0.153 nan 8.250 nan 0.000 0.513 140 F N 2.570 122.591 119.950 0.118 0.000 2.146 140 F HA -0.067 4.459 4.527 -0.001 0.000 0.298 140 F C -0.940 174.819 175.800 -0.068 0.000 1.096 140 F CA 0.882 58.938 58.000 0.094 0.000 1.275 140 F CB -0.646 38.425 39.000 0.118 0.000 1.008 140 F HN 0.030 nan 8.300 nan 0.000 0.480 141 P HA -0.122 nan 4.420 nan 0.000 0.219 141 P C 1.065 177.903 177.300 -0.770 0.000 1.150 141 P CA 1.648 64.525 63.100 -0.372 0.000 0.814 141 P CB -0.032 31.525 31.700 -0.238 0.000 0.787 142 D N -0.758 119.331 120.400 -0.518 0.000 2.144 142 D HA -0.111 4.529 4.640 -0.001 0.000 0.200 142 D C 1.886 177.587 176.300 -0.997 0.000 0.978 142 D CA 0.883 54.501 54.000 -0.638 0.000 0.833 142 D CB -0.385 40.220 40.800 -0.325 0.000 0.961 142 D HN 0.114 nan 8.370 nan 0.000 0.470 143 L N 1.694 122.441 121.223 -0.794 0.000 2.056 143 L HA -0.121 4.219 4.340 -0.001 0.000 0.207 143 L C 1.815 178.292 176.870 -0.656 0.000 1.078 143 L CA 1.515 55.889 54.840 -0.777 0.000 0.749 143 L CB -0.708 41.108 42.059 -0.404 0.000 0.901 143 L HN -0.078 nan 8.230 nan 0.000 0.433 144 N N -0.445 117.884 118.700 -0.618 0.000 2.069 144 N HA -0.288 4.451 4.740 -0.001 0.000 0.191 144 N C 1.897 177.278 175.510 -0.214 0.000 1.031 144 N CA 2.205 55.016 53.050 -0.399 0.000 0.852 144 N CB -0.353 37.927 38.487 -0.345 0.000 1.018 144 N HN 0.682 nan 8.380 nan 0.000 0.423 145 H N -0.413 118.452 119.070 -0.342 0.000 2.489 145 H HA -0.085 4.470 4.556 -0.001 0.000 0.293 145 H C 1.847 177.005 175.328 -0.284 0.000 1.066 145 H CA 1.363 57.242 56.048 -0.281 0.000 1.305 145 H CB 0.171 29.763 29.762 -0.284 0.000 1.386 145 H HN 0.443 nan 8.280 nan 0.000 0.551 146 I N -1.744 118.641 120.570 -0.308 0.000 3.526 146 I HA -0.014 4.155 4.170 -0.001 0.000 0.294 146 I C 2.065 178.045 176.117 -0.228 0.000 1.229 146 I CA 0.070 61.193 61.300 -0.295 0.000 1.408 146 I CB -0.200 37.497 38.000 -0.505 0.000 1.127 146 I HN 0.011 nan 8.210 nan 0.000 0.439 147 V N -1.470 118.293 119.914 -0.251 0.000 3.129 147 V HA 0.174 4.293 4.120 -0.001 0.000 0.259 147 V C 1.374 177.421 176.094 -0.078 0.000 1.116 147 V CA 0.607 62.816 62.300 -0.152 0.000 1.127 147 V CB -1.138 30.593 31.823 -0.154 0.000 0.742 147 V HN 0.343 nan 8.190 nan 0.000 0.474 148 K N 0.252 120.605 120.400 -0.079 0.000 2.580 148 K HA 0.518 4.838 4.320 -0.001 0.000 0.287 148 K C -0.086 176.501 176.600 -0.022 0.000 1.005 148 K CA -1.054 55.212 56.287 -0.035 0.000 1.200 148 K CB 0.466 32.951 32.500 -0.025 0.000 1.568 148 K HN 0.178 nan 8.250 nan 0.000 0.685 149 R N 1.684 122.176 120.500 -0.014 0.000 2.441 149 R HA 0.050 4.390 4.340 -0.001 0.000 0.284 149 R C -0.260 176.037 176.300 -0.005 0.000 1.070 149 R CA -0.415 55.679 56.100 -0.010 0.000 1.047 149 R CB 0.359 30.654 30.300 -0.008 0.000 1.016 149 R HN 0.528 nan 8.270 nan 0.000 0.477 150 D N 4.180 124.585 120.400 0.010 0.000 2.458 150 D HA -0.012 4.627 4.640 -0.001 0.000 0.243 150 D C -1.224 175.087 176.300 0.019 0.000 1.146 150 D CA -1.480 52.550 54.000 0.050 0.000 0.877 150 D CB 1.166 41.966 40.800 -0.000 0.000 1.176 150 D HN 0.307 nan 8.370 nan 0.000 0.461 151 P HA -0.153 nan 4.420 nan 0.000 0.219 151 P C 1.196 178.490 177.300 -0.010 0.000 1.146 151 P CA 1.057 64.142 63.100 -0.025 0.000 0.808 151 P CB 0.471 32.141 31.700 -0.051 0.000 0.779 152 R N -0.165 120.341 120.500 0.010 0.000 2.119 152 R HA 0.010 4.349 4.340 -0.001 0.000 0.202 152 R C 2.415 178.713 176.300 -0.003 0.000 1.114 152 R CA 1.429 57.532 56.100 0.004 0.000 1.089 152 R CB -0.537 29.771 30.300 0.014 0.000 1.000 152 R HN 0.121 nan 8.270 nan 0.000 0.487 153 T N -1.588 112.962 114.554 -0.007 0.000 3.055 153 T HA -0.042 4.307 4.350 -0.001 0.000 0.265 153 T C 0.744 175.436 174.700 -0.014 0.000 1.111 153 T CA 1.025 63.115 62.100 -0.016 0.000 1.118 153 T CB -0.229 68.619 68.868 -0.034 0.000 0.909 153 T HN 0.456 nan 8.240 nan 0.000 0.501 154 N N 0.044 118.738 118.700 -0.011 0.000 2.741 154 N HA -0.145 4.594 4.740 -0.001 0.000 0.251 154 N C -0.699 174.806 175.510 -0.008 0.000 1.112 154 N CA 0.927 53.972 53.050 -0.009 0.000 0.750 154 N CB -1.723 36.761 38.487 -0.006 0.000 1.119 154 N HN 0.702 nan 8.380 nan 0.000 0.561 155 M N -0.032 119.559 119.600 -0.014 0.000 2.591 155 M HA 0.368 4.848 4.480 -0.001 0.000 0.306 155 M C 0.048 176.337 176.300 -0.018 0.000 1.190 155 M CA -0.757 54.536 55.300 -0.012 0.000 0.889 155 M CB 2.036 34.626 32.600 -0.015 0.000 1.728 155 M HN -0.089 nan 8.290 nan 0.000 0.458 156 R N 1.985 122.481 120.500 -0.006 0.000 2.446 156 R HA 0.079 4.419 4.340 -0.001 0.000 0.314 156 R C -0.305 175.984 176.300 -0.018 0.000 1.003 156 R CA -0.035 56.063 56.100 -0.004 0.000 1.018 156 R CB -0.141 30.168 30.300 0.015 0.000 0.945 156 R HN 0.430 nan 8.270 nan 0.000 0.419 157 N N 4.174 122.848 118.700 -0.044 0.000 2.439 157 N HA 0.036 4.776 4.740 -0.001 0.000 0.249 157 N C 0.739 176.236 175.510 -0.022 0.000 1.003 157 N CA -0.220 52.757 53.050 -0.122 0.000 0.942 157 N CB 0.973 39.240 38.487 -0.366 0.000 1.115 157 N HN 0.467 nan 8.380 nan 0.000 0.505 158 M N 2.086 121.712 119.600 0.044 0.000 2.394 158 M HA -0.007 4.473 4.480 -0.001 0.000 0.264 158 M C 1.742 178.204 176.300 0.270 0.000 1.073 158 M CA 0.526 55.953 55.300 0.211 0.000 1.111 158 M CB -1.156 31.594 32.600 0.250 0.000 1.401 158 M HN 0.614 nan 8.290 nan 0.000 0.448 159 A N -0.560 122.323 122.820 0.104 0.000 1.929 159 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 159 A C 1.858 179.605 177.584 0.271 0.000 1.176 159 A CA 1.166 53.286 52.037 0.138 0.000 0.628 159 A CB -0.679 18.323 19.000 0.002 0.000 0.816 159 A HN 0.359 nan 8.150 nan 0.000 0.444 160 Y N 0.101 120.439 120.300 0.063 0.000 2.263 160 Y HA -0.069 4.480 4.550 -0.001 0.000 0.292 160 Y C 2.308 178.180 175.900 -0.047 0.000 1.130 160 Y CA 0.948 59.050 58.100 0.004 0.000 1.179 160 Y CB -0.742 37.688 38.460 -0.049 0.000 0.998 160 Y HN 0.398 nan 8.280 nan 0.000 0.532 161 K N -0.543 119.910 120.400 0.089 0.000 2.009 161 K HA -0.221 4.098 4.320 -0.001 0.000 0.210 161 K C 1.799 178.273 176.600 -0.211 0.000 1.049 161 K CA 2.095 58.278 56.287 -0.173 0.000 0.929 161 K CB -0.486 31.905 32.500 -0.182 0.000 0.714 161 K HN 0.276 nan 8.250 nan 0.000 0.440 162 W N 1.134 122.532 121.300 0.163 0.000 2.584 162 W HA -0.041 4.618 4.660 -0.001 0.000 0.264 162 W C 1.861 178.453 176.519 0.121 0.000 1.264 162 W CA 0.604 58.061 57.345 0.187 0.000 1.306 162 W CB -0.137 29.416 29.460 0.155 0.000 1.110 162 W HN 0.331 nan 8.180 nan 0.000 0.606 163 D N -0.131 120.435 120.400 0.276 0.000 2.097 163 D HA -0.245 4.394 4.640 -0.001 0.000 0.197 163 D C 1.887 178.325 176.300 0.230 0.000 0.984 163 D CA 1.234 55.365 54.000 0.219 0.000 0.826 163 D CB -0.461 40.479 40.800 0.234 0.000 0.973 163 D HN 0.049 nan 8.370 nan 0.000 0.460 164 F N 0.173 120.092 119.950 -0.051 0.000 2.069 164 F HA -0.141 4.385 4.527 -0.001 0.000 0.298 164 F C 1.882 177.592 175.800 -0.149 0.000 1.113 164 F CA 1.389 59.276 58.000 -0.189 0.000 1.214 164 F CB -0.637 38.057 39.000 -0.510 0.000 0.978 164 F HN -0.082 nan 8.300 nan 0.000 0.474 165 F N 0.724 120.600 119.950 -0.124 0.000 2.365 165 F HA -0.094 4.433 4.527 -0.001 0.000 0.300 165 F C 2.874 178.557 175.800 -0.195 0.000 1.090 165 F CA 1.058 58.894 58.000 -0.273 0.000 1.408 165 F CB -1.585 37.222 39.000 -0.322 0.000 1.060 165 F HN 0.144 nan 8.300 nan 0.000 0.534 166 S N -1.539 114.189 115.700 0.047 0.000 2.481 166 S HA -0.138 4.331 4.470 -0.001 0.000 0.231 166 S C 1.577 176.031 174.600 -0.242 0.000 0.996 166 S CA 1.001 59.138 58.200 -0.106 0.000 0.942 166 S CB -0.672 62.447 63.200 -0.134 0.000 0.768 166 S HN 0.451 nan 8.310 nan 0.000 0.520 167 H N 0.453 119.457 119.070 -0.109 0.000 2.551 167 H HA 0.418 4.973 4.556 -0.001 0.000 0.271 167 H C -0.185 175.018 175.328 -0.208 0.000 0.984 167 H CA 0.157 56.120 56.048 -0.141 0.000 1.164 167 H CB 0.338 30.017 29.762 -0.137 0.000 1.437 167 H HN 0.383 nan 8.280 nan 0.000 0.550 168 L N 1.902 123.035 121.223 -0.149 0.000 2.445 168 L HA 0.250 4.590 4.340 -0.001 0.000 0.252 168 L C -1.938 174.782 176.870 -0.250 0.000 1.105 168 L CA -1.584 53.131 54.840 -0.209 0.000 0.943 168 L CB 2.013 43.919 42.059 -0.256 0.000 1.277 168 L HN -0.160 nan 8.230 nan 0.000 0.465 169 P HA -0.175 nan 4.420 nan 0.000 0.222 169 P C 1.318 178.325 177.300 -0.488 0.000 1.147 169 P CA 0.796 63.577 63.100 -0.532 0.000 0.790 169 P CB 0.198 31.381 31.700 -0.861 0.000 0.780 170 E N 0.398 120.345 120.200 -0.422 0.000 2.265 170 E HA -0.139 4.210 4.350 -0.001 0.000 0.196 170 E C 1.482 178.079 176.600 -0.005 0.000 0.996 170 E CA 1.623 57.995 56.400 -0.046 0.000 0.832 170 E CB -1.042 28.723 29.700 0.107 0.000 0.756 170 E HN 0.343 nan 8.360 nan 0.000 0.491 171 S N 0.730 116.401 115.700 -0.048 0.000 2.522 171 S HA 0.029 4.498 4.470 -0.001 0.000 0.227 171 S C 2.101 176.665 174.600 -0.061 0.000 0.986 171 S CA 0.099 58.277 58.200 -0.037 0.000 0.929 171 S CB -0.586 62.571 63.200 -0.072 0.000 0.769 171 S HN 0.211 nan 8.310 nan 0.000 0.529 172 L N 0.659 121.869 121.223 -0.021 0.000 2.127 172 L HA -0.149 4.190 4.340 -0.001 0.000 0.211 172 L C 2.794 179.784 176.870 0.200 0.000 1.089 172 L CA 1.908 56.797 54.840 0.082 0.000 0.757 172 L CB -0.753 41.363 42.059 0.095 0.000 0.899 172 L HN 0.514 nan 8.230 nan 0.000 0.434 173 H N -0.847 118.247 119.070 0.040 0.000 2.321 173 H HA -0.222 4.333 4.556 -0.001 0.000 0.300 173 H C 2.407 177.723 175.328 -0.020 0.000 1.087 173 H CA 1.326 57.395 56.048 0.036 0.000 1.319 173 H CB 0.426 30.187 29.762 -0.002 0.000 1.379 173 H HN 0.182 nan 8.280 nan 0.000 0.501 174 Q N 0.776 120.540 119.800 -0.059 0.000 2.123 174 Q HA -0.048 4.291 4.340 -0.001 0.000 0.199 174 Q C 2.323 178.228 176.000 -0.158 0.000 0.966 174 Q CA 0.992 56.617 55.803 -0.297 0.000 0.845 174 Q CB -0.180 28.094 28.738 -0.772 0.000 0.907 174 Q HN 0.535 nan 8.270 nan 0.000 0.439 175 L N -0.448 120.757 121.223 -0.030 0.000 2.131 175 L HA -0.156 4.183 4.340 -0.001 0.000 0.210 175 L C 2.074 179.106 176.870 0.269 0.000 1.092 175 L CA 1.549 56.458 54.840 0.116 0.000 0.759 175 L CB -0.511 41.619 42.059 0.118 0.000 0.903 175 L HN 0.226 nan 8.230 nan 0.000 0.435 176 T N -0.157 114.580 114.554 0.306 0.000 2.857 176 T HA -0.068 4.282 4.350 -0.001 0.000 0.266 176 T C 1.904 176.730 174.700 0.208 0.000 1.048 176 T CA 1.070 63.383 62.100 0.355 0.000 1.139 176 T CB -0.060 69.061 68.868 0.422 0.000 0.874 176 T HN 0.200 nan 8.240 nan 0.000 0.455 177 I N 1.168 121.818 120.570 0.133 0.000 2.286 177 I HA -0.127 4.042 4.170 -0.001 0.000 0.245 177 I C 2.216 178.380 176.117 0.077 0.000 1.104 177 I CA 1.047 62.390 61.300 0.072 0.000 1.397 177 I CB -0.295 37.696 38.000 -0.014 0.000 1.072 177 I HN 0.092 nan 8.210 nan 0.000 0.417 178 D N 0.670 121.119 120.400 0.080 0.000 2.149 178 D HA -0.156 4.483 4.640 -0.001 0.000 0.198 178 D C 2.116 178.503 176.300 0.144 0.000 0.990 178 D CA 1.319 55.387 54.000 0.114 0.000 0.839 178 D CB -0.087 40.801 40.800 0.146 0.000 0.948 178 D HN 0.209 nan 8.370 nan 0.000 0.460 179 M N 0.526 120.230 119.600 0.174 0.000 2.558 179 M HA 0.060 4.539 4.480 -0.001 0.000 0.255 179 M C 1.029 177.387 176.300 0.097 0.000 1.113 179 M CA 0.166 55.564 55.300 0.164 0.000 1.097 179 M CB -0.564 32.170 32.600 0.224 0.000 1.426 179 M HN -0.100 nan 8.290 nan 0.000 0.488 180 S N 0.239 115.989 115.700 0.084 0.000 2.641 180 S HA 0.109 4.578 4.470 -0.001 0.000 0.261 180 S C 0.795 175.415 174.600 0.034 0.000 1.257 180 S CA -0.472 57.752 58.200 0.039 0.000 0.983 180 S CB 1.047 64.273 63.200 0.044 0.000 0.990 180 S HN 0.165 nan 8.310 nan 0.000 0.572 181 D N 0.492 120.897 120.400 0.009 0.000 2.178 181 D HA -0.059 4.580 4.640 -0.001 0.000 0.201 181 D C 1.838 178.159 176.300 0.034 0.000 0.980 181 D CA 1.140 55.146 54.000 0.010 0.000 0.842 181 D CB -0.282 40.509 40.800 -0.015 0.000 0.948 181 D HN 0.544 nan 8.370 nan 0.000 0.472 182 R N 0.128 120.658 120.500 0.050 0.000 2.339 182 R HA 0.065 4.405 4.340 -0.001 0.000 0.199 182 R C 1.969 178.323 176.300 0.090 0.000 1.018 182 R CA 0.526 56.672 56.100 0.075 0.000 1.036 182 R CB -0.108 30.248 30.300 0.094 0.000 0.899 182 R HN 0.099 nan 8.270 nan 0.000 0.473 183 G N 0.208 109.058 108.800 0.083 0.000 2.650 183 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.214 183 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.214 183 G C 0.541 175.499 174.900 0.097 0.000 1.136 183 G CA 0.035 45.193 45.100 0.096 0.000 0.789 183 G HN 0.171 nan 8.290 nan 0.000 0.536 184 L N 1.153 122.425 121.223 0.082 0.000 2.490 184 L HA 0.369 4.708 4.340 -0.001 0.000 0.256 184 L C -2.658 174.251 176.870 0.065 0.000 1.089 184 L CA -1.805 53.079 54.840 0.073 0.000 0.916 184 L CB 2.772 44.866 42.059 0.059 0.000 1.188 184 L HN -0.117 nan 8.230 nan 0.000 0.476 185 P HA 0.074 nan 4.420 nan 0.000 0.274 185 P C 0.450 177.795 177.300 0.074 0.000 1.237 185 P CA -0.487 62.670 63.100 0.095 0.000 0.793 185 P CB 1.017 32.803 31.700 0.143 0.000 0.977 186 L N 1.365 122.641 121.223 0.088 0.000 2.056 186 L HA -0.009 4.330 4.340 -0.001 0.000 0.207 186 L C 0.680 177.622 176.870 0.120 0.000 1.078 186 L CA 2.205 57.086 54.840 0.068 0.000 0.749 186 L CB -0.553 41.489 42.059 -0.030 0.000 0.901 186 L HN 0.624 nan 8.230 nan 0.000 0.433 187 S N -4.903 110.926 115.700 0.215 0.000 2.694 187 S HA 0.216 4.686 4.470 -0.001 0.000 0.273 187 S C 0.315 174.954 174.600 0.066 0.000 1.180 187 S CA -0.305 57.925 58.200 0.050 0.000 0.864 187 S CB -0.319 62.960 63.200 0.132 0.000 1.198 187 S HN 0.013 nan 8.310 nan 0.000 0.499 188 Y N 1.027 121.369 120.300 0.070 0.000 2.439 188 Y HA 0.264 4.813 4.550 -0.001 0.000 0.292 188 Y C 2.478 178.322 175.900 -0.095 0.000 1.130 188 Y CA 0.654 58.714 58.100 -0.067 0.000 1.254 188 Y CB -0.468 37.950 38.460 -0.069 0.000 1.000 188 Y HN 0.504 nan 8.280 nan 0.000 0.554 189 R N -0.908 119.551 120.500 -0.068 0.000 2.276 189 R HA 0.005 4.344 4.340 -0.001 0.000 0.203 189 R C -0.114 175.743 176.300 -0.738 0.000 1.017 189 R CA 0.629 56.471 56.100 -0.431 0.000 1.010 189 R CB -0.187 29.619 30.300 -0.823 0.000 0.900 189 R HN 0.230 nan 8.270 nan 0.000 0.469 190 F N 0.358 120.357 119.950 0.081 0.000 2.908 190 F HA 0.204 4.730 4.527 -0.001 0.000 0.328 190 F C 0.090 175.904 175.800 0.024 0.000 1.211 190 F CA -0.932 57.069 58.000 0.001 0.000 1.291 190 F CB 0.655 39.641 39.000 -0.023 0.000 0.962 190 F HN -0.289 nan 8.300 nan 0.000 0.505 191 V N -3.544 116.507 119.914 0.228 0.000 2.914 191 V HA 0.602 4.722 4.120 -0.001 0.000 0.314 191 V C -0.318 175.951 176.094 0.290 0.000 1.084 191 V CA -0.856 61.568 62.300 0.206 0.000 0.963 191 V CB 1.791 33.765 31.823 0.251 0.000 1.025 191 V HN 0.061 nan 8.190 nan 0.000 0.432 192 H N 1.241 120.443 119.070 0.220 0.000 2.505 192 H HA 0.754 5.309 4.556 -0.001 0.000 0.355 192 H C 0.422 175.520 175.328 -0.383 0.000 1.179 192 H CA 0.454 56.516 56.048 0.023 0.000 1.343 192 H CB 1.969 31.691 29.762 -0.066 0.000 1.501 192 H HN 1.164 nan 8.280 nan 0.000 0.569 193 G N 0.805 109.141 108.800 -0.773 0.000 2.448 193 G HA2 0.554 4.514 3.960 -0.001 0.000 0.324 193 G HA3 0.554 4.514 3.960 -0.001 0.000 0.324 193 G C -1.475 172.930 174.900 -0.826 0.000 1.203 193 G CA -0.396 43.791 45.100 -1.522 0.000 0.954 193 G HN 0.342 nan 8.290 nan 0.000 0.480 194 F N -0.602 119.219 119.950 -0.215 0.000 2.626 194 F HA 0.527 5.053 4.527 -0.001 0.000 0.311 194 F C 1.114 176.962 175.800 0.081 0.000 1.088 194 F CA -0.498 57.496 58.000 -0.011 0.000 0.949 194 F CB 2.402 41.337 39.000 -0.109 0.000 1.322 194 F HN 0.582 nan 8.300 nan 0.000 0.461 195 G N -0.307 108.729 108.800 0.392 0.000 2.683 195 G HA2 0.220 4.180 3.960 -0.001 0.000 0.213 195 G HA3 0.220 4.180 3.960 -0.001 0.000 0.213 195 G C 0.824 175.897 174.900 0.289 0.000 1.142 195 G CA 0.762 46.132 45.100 0.449 0.000 0.793 195 G HN 0.709 nan 8.290 nan 0.000 0.534 196 S N -0.717 115.035 115.700 0.087 0.000 1.637 196 S HA -0.254 4.216 4.470 -0.001 0.000 0.232 196 S C 0.926 175.407 174.600 -0.199 0.000 0.808 196 S CA 1.513 59.623 58.200 -0.150 0.000 1.437 196 S CB -1.278 61.771 63.200 -0.252 0.000 1.838 196 S HN 0.684 nan 8.310 nan 0.000 0.525 197 H N 1.804 120.866 119.070 -0.013 0.000 2.597 197 H HA 0.365 4.921 4.556 -0.001 0.000 0.370 197 H C 0.427 175.646 175.328 -0.181 0.000 1.281 197 H CA 0.723 56.685 56.048 -0.144 0.000 1.422 197 H CB 0.123 29.685 29.762 -0.333 0.000 1.524 197 H HN 0.326 nan 8.280 nan 0.000 0.607 198 T N 2.250 116.770 114.554 -0.057 0.000 2.817 198 T HA 0.260 4.609 4.350 -0.001 0.000 0.293 198 T C -0.232 174.458 174.700 -0.015 0.000 0.964 198 T CA -0.068 61.986 62.100 -0.076 0.000 1.085 198 T CB 0.061 68.987 68.868 0.097 0.000 0.921 198 T HN 0.301 nan 8.240 nan 0.000 0.502 199 Y N 0.771 121.079 120.300 0.013 0.000 2.833 199 Y HA 0.638 5.187 4.550 -0.001 0.000 0.323 199 Y C 0.816 176.863 175.900 0.244 0.000 1.220 199 Y CA -0.810 57.373 58.100 0.138 0.000 1.174 199 Y CB 1.349 39.846 38.460 0.062 0.000 1.404 199 Y HN 0.668 nan 8.280 nan 0.000 0.607 200 S N -0.172 115.776 115.700 0.414 0.000 2.569 200 S HA 0.712 5.181 4.470 -0.001 0.000 0.280 200 S C -1.754 173.032 174.600 0.310 0.000 1.111 200 S CA -0.741 57.624 58.200 0.275 0.000 0.887 200 S CB 1.823 65.117 63.200 0.155 0.000 1.095 200 S HN 0.265 nan 8.310 nan 0.000 0.476 201 F N 1.275 121.295 119.950 0.117 0.000 2.520 201 F HA 0.642 5.168 4.527 -0.001 0.000 0.322 201 F C -0.508 175.382 175.800 0.150 0.000 1.103 201 F CA -2.018 56.064 58.000 0.136 0.000 0.926 201 F CB 1.839 40.938 39.000 0.165 0.000 1.154 201 F HN 0.482 nan 8.300 nan 0.000 0.453 202 I N 4.158 124.879 120.570 0.252 0.000 2.466 202 I HA 0.219 4.388 4.170 -0.001 0.000 0.289 202 I C -0.257 175.934 176.117 0.125 0.000 1.026 202 I CA -0.843 60.549 61.300 0.152 0.000 1.078 202 I CB 1.416 39.451 38.000 0.058 0.000 1.249 202 I HN 0.516 nan 8.210 nan 0.000 0.429 203 N N 6.205 125.010 118.700 0.175 0.000 2.476 203 N HA 0.236 4.976 4.740 -0.001 0.000 0.287 203 N C 0.693 176.233 175.510 0.049 0.000 1.262 203 N CA -0.657 52.458 53.050 0.108 0.000 0.980 203 N CB 0.590 39.178 38.487 0.168 0.000 1.163 203 N HN 0.557 nan 8.380 nan 0.000 0.592 204 K N -1.770 118.641 120.400 0.019 0.000 2.280 204 K HA -0.045 4.275 4.320 -0.001 0.000 0.202 204 K C -0.238 176.357 176.600 -0.007 0.000 1.047 204 K CA 1.309 57.591 56.287 -0.007 0.000 0.942 204 K CB -0.136 32.351 32.500 -0.022 0.000 0.739 204 K HN 0.405 nan 8.250 nan 0.000 0.457 205 D N 1.427 121.835 120.400 0.014 0.000 2.325 205 D HA 0.037 4.677 4.640 -0.001 0.000 0.225 205 D C -0.364 175.937 176.300 0.001 0.000 1.096 205 D CA 0.062 54.066 54.000 0.007 0.000 0.844 205 D CB 0.018 40.829 40.800 0.019 0.000 0.925 205 D HN 0.244 nan 8.370 nan 0.000 0.513 206 N N 1.500 120.202 118.700 0.003 0.000 2.747 206 N HA -0.175 4.564 4.740 -0.001 0.000 0.249 206 N C -0.651 174.833 175.510 -0.042 0.000 1.107 206 N CA 0.713 53.755 53.050 -0.014 0.000 0.707 206 N CB -0.935 37.536 38.487 -0.026 0.000 1.054 206 N HN 0.506 nan 8.380 nan 0.000 0.555 207 E N 0.681 120.865 120.200 -0.028 0.000 2.197 207 E HA 0.287 4.636 4.350 -0.001 0.000 0.281 207 E C 0.352 176.799 176.600 -0.256 0.000 0.995 207 E CA -0.512 55.790 56.400 -0.162 0.000 0.808 207 E CB 1.814 31.431 29.700 -0.137 0.000 1.093 207 E HN 0.143 nan 8.360 nan 0.000 0.394 208 R N 3.171 123.398 120.500 -0.454 0.000 2.368 208 R HA 0.392 4.731 4.340 -0.001 0.000 0.302 208 R C -1.332 174.492 176.300 -0.794 0.000 1.002 208 R CA -0.299 55.518 56.100 -0.473 0.000 0.929 208 R CB 0.521 30.528 30.300 -0.489 0.000 1.073 208 R HN 0.378 nan 8.270 nan 0.000 0.464 209 F N 3.236 123.046 119.950 -0.235 0.000 2.539 209 F HA 0.354 4.881 4.527 -0.001 0.000 0.318 209 F C -0.801 174.883 175.800 -0.193 0.000 1.135 209 F CA -0.629 57.262 58.000 -0.182 0.000 0.915 209 F CB 1.163 40.180 39.000 0.030 0.000 1.176 209 F HN 0.474 nan 8.300 nan 0.000 0.440 210 W N 3.424 124.854 121.300 0.216 0.000 2.238 210 W HA 0.610 5.270 4.660 -0.001 0.000 0.321 210 W C -0.408 176.219 176.519 0.180 0.000 1.293 210 W CA -0.758 56.722 57.345 0.225 0.000 1.204 210 W CB 1.097 30.731 29.460 0.290 0.000 1.167 210 W HN 0.289 nan 8.180 nan 0.000 0.553 211 V N 4.315 124.335 119.914 0.177 0.000 3.007 211 V HA 0.515 4.635 4.120 -0.001 0.000 0.311 211 V C -0.916 174.815 176.094 -0.606 0.000 1.120 211 V CA -1.186 60.929 62.300 -0.308 0.000 0.980 211 V CB 2.119 33.406 31.823 -0.893 0.000 1.033 211 V HN 0.356 nan 8.190 nan 0.000 0.429 212 K N 4.395 124.393 120.400 -0.671 0.000 2.270 212 K HA 0.546 4.866 4.320 -0.001 0.000 0.255 212 K C -1.530 174.777 176.600 -0.489 0.000 0.936 212 K CA -0.243 55.649 56.287 -0.659 0.000 0.809 212 K CB 1.853 33.976 32.500 -0.630 0.000 1.131 212 K HN 0.506 nan 8.250 nan 0.000 0.427 213 F N 2.510 122.377 119.950 -0.139 0.000 2.415 213 F HA 0.328 4.854 4.527 -0.001 0.000 0.348 213 F C 0.795 176.460 175.800 -0.224 0.000 1.119 213 F CA -0.433 57.500 58.000 -0.111 0.000 1.069 213 F CB 0.942 39.989 39.000 0.078 0.000 1.124 213 F HN 0.249 nan 8.300 nan 0.000 0.472 214 H N 3.914 122.947 119.070 -0.061 0.000 2.609 214 H HA 0.345 4.900 4.556 -0.001 0.000 0.344 214 H C -1.390 173.698 175.328 -0.400 0.000 1.040 214 H CA -0.611 55.322 56.048 -0.191 0.000 1.216 214 H CB 1.826 31.511 29.762 -0.129 0.000 1.529 214 H HN 0.410 nan 8.280 nan 0.000 0.519 215 F N 3.060 122.909 119.950 -0.168 0.000 2.366 215 F HA 0.286 4.812 4.527 -0.001 0.000 0.366 215 F C 0.626 176.474 175.800 0.079 0.000 1.096 215 F CA -0.874 57.158 58.000 0.054 0.000 1.060 215 F CB 0.786 39.830 39.000 0.075 0.000 1.282 215 F HN 0.207 nan 8.300 nan 0.000 0.450 216 R N 1.658 122.306 120.500 0.247 0.000 2.316 216 R HA 0.135 4.474 4.340 -0.001 0.000 0.314 216 R C -0.295 176.211 176.300 0.343 0.000 1.069 216 R CA -0.336 55.895 56.100 0.218 0.000 0.959 216 R CB 1.009 31.342 30.300 0.054 0.000 0.987 216 R HN 0.647 nan 8.270 nan 0.000 0.446 217 C N 4.216 123.789 119.300 0.455 0.000 2.651 217 C HA 0.045 4.505 4.460 -0.001 0.000 0.410 217 C C 1.421 176.316 174.990 -0.160 0.000 1.372 217 C CA -0.259 58.692 59.018 -0.112 0.000 1.707 217 C CB -0.200 27.465 27.740 -0.126 0.000 2.501 217 C HN 0.620 nan 8.230 nan 0.000 0.598 218 Q N 3.095 122.683 119.800 -0.354 0.000 2.403 218 Q HA 0.032 4.371 4.340 -0.001 0.000 0.203 218 Q C 1.224 177.107 176.000 -0.196 0.000 0.932 218 Q CA 0.767 56.438 55.803 -0.220 0.000 0.945 218 Q CB 0.195 28.798 28.738 -0.224 0.000 1.045 218 Q HN 0.813 nan 8.270 nan 0.000 0.511 219 Q N -0.530 119.128 119.800 -0.236 0.000 2.281 219 Q HA 0.332 4.671 4.340 -0.001 0.000 0.215 219 Q C 0.352 176.414 176.000 0.103 0.000 0.867 219 Q CA 0.544 56.299 55.803 -0.080 0.000 0.940 219 Q CB 1.199 29.803 28.738 -0.223 0.000 1.111 219 Q HN 0.349 nan 8.270 nan 0.000 0.513 220 G N 0.584 109.402 108.800 0.029 0.000 2.746 220 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.685 220 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.685 220 G C -0.936 174.007 174.900 0.072 0.000 1.350 220 G CA -0.910 44.218 45.100 0.047 0.000 0.837 220 G HN 0.055 nan 8.290 nan 0.000 0.564 221 I N 1.202 121.770 120.570 -0.003 0.000 2.312 221 I HA 0.385 4.555 4.170 -0.001 0.000 0.291 221 I C 0.652 176.753 176.117 -0.027 0.000 1.031 221 I CA -0.044 61.247 61.300 -0.015 0.000 1.293 221 I CB 0.935 38.901 38.000 -0.056 0.000 1.403 221 I HN 0.429 nan 8.210 nan 0.000 0.484 222 K N 5.981 126.365 120.400 -0.026 0.000 2.397 222 K HA 0.508 4.827 4.320 -0.001 0.000 0.253 222 K C -0.734 175.825 176.600 -0.070 0.000 0.932 222 K CA -0.810 55.374 56.287 -0.171 0.000 0.795 222 K CB 2.355 34.514 32.500 -0.568 0.000 1.159 222 K HN 0.443 nan 8.250 nan 0.000 0.424 223 N N 2.193 120.853 118.700 -0.067 0.000 2.453 223 N HA 0.528 5.267 4.740 -0.001 0.000 0.290 223 N C -1.023 174.464 175.510 -0.037 0.000 1.250 223 N CA -0.666 52.370 53.050 -0.023 0.000 0.815 223 N CB 1.590 40.074 38.487 -0.006 0.000 1.381 223 N HN 0.277 nan 8.380 nan 0.000 0.510 224 L N 1.390 122.605 121.223 -0.013 0.000 2.346 224 L HA 0.471 4.810 4.340 -0.001 0.000 0.276 224 L C -0.010 176.857 176.870 -0.005 0.000 1.006 224 L CA -0.767 54.065 54.840 -0.014 0.000 0.817 224 L CB 1.463 43.520 42.059 -0.004 0.000 1.272 224 L HN 0.261 nan 8.230 nan 0.000 0.421 225 M N 0.977 120.570 119.600 -0.011 0.000 2.247 225 M HA 0.124 4.604 4.480 -0.001 0.000 0.326 225 M C 0.811 177.114 176.300 0.004 0.000 1.134 225 M CA 0.004 55.300 55.300 -0.006 0.000 1.136 225 M CB 0.503 33.093 32.600 -0.015 0.000 1.454 225 M HN 0.509 nan 8.290 nan 0.000 0.467 226 D N 0.945 121.352 120.400 0.012 0.000 2.133 226 D HA -0.239 4.400 4.640 -0.001 0.000 0.195 226 D C 1.268 177.578 176.300 0.016 0.000 0.997 226 D CA 2.025 56.038 54.000 0.020 0.000 0.840 226 D CB 0.012 40.828 40.800 0.027 0.000 0.947 226 D HN 0.669 nan 8.370 nan 0.000 0.452 227 D N 0.764 121.169 120.400 0.009 0.000 2.149 227 D HA -0.157 4.482 4.640 -0.001 0.000 0.201 227 D C 1.510 177.812 176.300 0.004 0.000 0.972 227 D CA 0.934 54.939 54.000 0.007 0.000 0.835 227 D CB -0.637 40.165 40.800 0.003 0.000 0.966 227 D HN 0.322 nan 8.370 nan 0.000 0.476 228 E N 0.628 120.829 120.200 0.000 0.000 2.107 228 E HA 0.006 4.356 4.350 -0.001 0.000 0.191 228 E C 2.210 178.811 176.600 0.002 0.000 0.982 228 E CA 0.969 57.367 56.400 -0.003 0.000 0.809 228 E CB -0.089 29.604 29.700 -0.012 0.000 0.756 228 E HN 0.394 nan 8.360 nan 0.000 0.459 229 A N 1.508 124.332 122.820 0.007 0.000 1.897 229 A HA -0.193 4.127 4.320 -0.001 0.000 0.215 229 A C 1.953 179.546 177.584 0.016 0.000 1.181 229 A CA 1.121 53.166 52.037 0.013 0.000 0.620 229 A CB -0.263 18.749 19.000 0.021 0.000 0.821 229 A HN 0.114 nan 8.150 nan 0.000 0.443 230 E N -0.276 119.934 120.200 0.017 0.000 2.077 230 E HA -0.137 4.212 4.350 -0.001 0.000 0.193 230 E C 2.313 178.921 176.600 0.013 0.000 0.989 230 E CA 0.946 57.357 56.400 0.017 0.000 0.800 230 E CB -0.240 29.470 29.700 0.017 0.000 0.746 230 E HN 0.609 nan 8.360 nan 0.000 0.452 231 A N 1.026 123.852 122.820 0.010 0.000 1.930 231 A HA -0.156 4.164 4.320 -0.001 0.000 0.217 231 A C 2.112 179.701 177.584 0.008 0.000 1.175 231 A CA 0.925 52.966 52.037 0.008 0.000 0.627 231 A CB -0.392 18.611 19.000 0.004 0.000 0.815 231 A HN 0.211 nan 8.150 nan 0.000 0.443 232 L N -0.300 120.928 121.223 0.008 0.000 2.072 232 L HA -0.042 4.297 4.340 -0.001 0.000 0.205 232 L C 2.355 179.231 176.870 0.011 0.000 1.079 232 L CA 1.639 56.484 54.840 0.009 0.000 0.752 232 L CB -0.434 41.630 42.059 0.007 0.000 0.906 232 L HN 0.134 nan 8.230 nan 0.000 0.436 233 V N 0.038 119.961 119.914 0.014 0.000 2.407 233 V HA -0.192 3.928 4.120 -0.001 0.000 0.248 233 V C 2.583 178.686 176.094 0.015 0.000 1.055 233 V CA 1.719 64.029 62.300 0.017 0.000 1.049 233 V CB -1.500 30.336 31.823 0.021 0.000 0.662 233 V HN 0.625 nan 8.190 nan 0.000 0.455 234 G N -0.480 108.328 108.800 0.014 0.000 2.432 234 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.219 234 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.219 234 G C 1.667 176.573 174.900 0.011 0.000 1.135 234 G CA 0.690 45.798 45.100 0.012 0.000 0.767 234 G HN 0.493 nan 8.290 nan 0.000 0.550 235 K N -0.919 119.487 120.400 0.011 0.000 2.242 235 K HA 0.106 4.425 4.320 -0.001 0.000 0.200 235 K C -0.349 176.257 176.600 0.010 0.000 1.050 235 K CA 0.363 56.656 56.287 0.010 0.000 0.981 235 K CB 0.537 33.043 32.500 0.010 0.000 0.795 235 K HN 0.147 nan 8.250 nan 0.000 0.477 236 D N -0.472 119.935 120.400 0.011 0.000 2.764 236 D HA 0.190 4.829 4.640 -0.001 0.000 0.227 236 D C -0.251 176.056 176.300 0.012 0.000 1.347 236 D CA -0.277 53.730 54.000 0.011 0.000 0.953 236 D CB 1.324 42.131 40.800 0.012 0.000 1.476 236 D HN -0.287 nan 8.370 nan 0.000 0.585 237 R N 1.178 121.685 120.500 0.012 0.000 2.276 237 R HA 0.162 4.502 4.340 -0.001 0.000 0.196 237 R C 0.507 176.818 176.300 0.018 0.000 0.961 237 R CA 0.683 56.794 56.100 0.017 0.000 1.024 237 R CB 0.396 30.707 30.300 0.018 0.000 0.940 237 R HN 0.318 nan 8.270 nan 0.000 0.480 238 E N -0.718 119.489 120.200 0.012 0.000 2.585 238 E HA 0.083 4.433 4.350 -0.001 0.000 0.206 238 E C 0.760 177.371 176.600 0.019 0.000 1.007 238 E CA 0.181 56.589 56.400 0.014 0.000 1.028 238 E CB 0.605 30.302 29.700 -0.005 0.000 1.087 238 E HN 0.206 nan 8.360 nan 0.000 0.455 239 S N 0.010 115.716 115.700 0.010 0.000 2.370 239 S HA -0.173 4.296 4.470 -0.001 0.000 0.226 239 S C 2.014 176.611 174.600 -0.004 0.000 1.033 239 S CA 1.481 59.686 58.200 0.008 0.000 1.011 239 S CB -0.208 62.993 63.200 0.001 0.000 0.852 239 S HN 0.103 nan 8.310 nan 0.000 0.457 240 S N 1.419 117.077 115.700 -0.070 0.000 2.406 240 S HA -0.030 4.440 4.470 -0.001 0.000 0.228 240 S C 2.008 176.630 174.600 0.038 0.000 1.020 240 S CA 1.105 59.194 58.200 -0.185 0.000 0.965 240 S CB -0.382 62.397 63.200 -0.701 0.000 0.798 240 S HN 0.655 nan 8.310 nan 0.000 0.488 241 Q N 2.137 122.010 119.800 0.121 0.000 2.083 241 Q HA 0.065 4.405 4.340 -0.001 0.000 0.198 241 Q C 2.063 178.185 176.000 0.202 0.000 0.969 241 Q CA 1.452 57.381 55.803 0.210 0.000 0.838 241 Q CB -0.299 28.523 28.738 0.140 0.000 0.900 241 Q HN 0.425 nan 8.270 nan 0.000 0.436 242 R N -0.104 120.473 120.500 0.129 0.000 2.081 242 R HA -0.175 4.164 4.340 -0.001 0.000 0.235 242 R C 1.746 178.156 176.300 0.184 0.000 1.131 242 R CA 1.916 58.098 56.100 0.137 0.000 0.960 242 R CB -0.415 29.933 30.300 0.080 0.000 0.856 242 R HN 0.501 nan 8.270 nan 0.000 0.436 243 D N -0.329 120.163 120.400 0.152 0.000 2.097 243 D HA -0.190 4.449 4.640 -0.001 0.000 0.195 243 D C 1.892 178.304 176.300 0.188 0.000 0.989 243 D CA 0.991 55.085 54.000 0.156 0.000 0.827 243 D CB 0.018 40.895 40.800 0.129 0.000 0.966 243 D HN 0.173 nan 8.370 nan 0.000 0.456 244 L N -0.603 120.762 121.223 0.236 0.000 2.056 244 L HA 0.024 4.364 4.340 -0.001 0.000 0.207 244 L C 1.955 178.985 176.870 0.266 0.000 1.078 244 L CA 1.463 56.466 54.840 0.271 0.000 0.749 244 L CB -0.862 41.420 42.059 0.371 0.000 0.901 244 L HN 0.163 nan 8.230 nan 0.000 0.433 245 F N 0.611 120.662 119.950 0.168 0.000 2.075 245 F HA -0.212 4.315 4.527 -0.001 0.000 0.297 245 F C 2.395 178.279 175.800 0.139 0.000 1.113 245 F CA 2.019 60.113 58.000 0.156 0.000 1.218 245 F CB -0.113 38.972 39.000 0.141 0.000 0.984 245 F HN 0.179 nan 8.300 nan 0.000 0.472 246 E N -0.154 120.241 120.200 0.324 0.000 2.204 246 E HA -0.155 4.195 4.350 -0.001 0.000 0.194 246 E C 2.216 178.882 176.600 0.109 0.000 0.989 246 E CA 0.703 57.228 56.400 0.209 0.000 0.824 246 E CB -0.275 29.549 29.700 0.206 0.000 0.756 246 E HN 0.509 nan 8.360 nan 0.000 0.477 247 A N 1.071 123.958 122.820 0.112 0.000 1.897 247 A HA -0.101 4.219 4.320 -0.001 0.000 0.215 247 A C 2.115 179.748 177.584 0.082 0.000 1.181 247 A CA 0.788 52.875 52.037 0.084 0.000 0.620 247 A CB -0.347 18.708 19.000 0.091 0.000 0.821 247 A HN 0.108 nan 8.150 nan 0.000 0.443 248 I N -0.669 119.965 120.570 0.107 0.000 2.439 248 I HA -0.192 3.977 4.170 -0.001 0.000 0.251 248 I C 2.471 178.658 176.117 0.116 0.000 1.139 248 I CA 1.404 62.822 61.300 0.197 0.000 1.438 248 I CB -0.253 37.819 38.000 0.120 0.000 1.085 248 I HN 0.485 nan 8.210 nan 0.000 0.427 249 E N 1.784 121.956 120.200 -0.047 0.000 2.077 249 E HA -0.250 4.100 4.350 -0.001 0.000 0.193 249 E C 2.151 178.755 176.600 0.005 0.000 0.989 249 E CA 1.183 57.547 56.400 -0.061 0.000 0.800 249 E CB 0.067 29.723 29.700 -0.074 0.000 0.746 249 E HN 0.503 nan 8.360 nan 0.000 0.452 250 R N -1.119 119.381 120.500 0.000 0.000 2.310 250 R HA 0.147 4.486 4.340 -0.001 0.000 0.202 250 R C 1.184 177.421 176.300 -0.105 0.000 0.933 250 R CA 0.755 56.840 56.100 -0.025 0.000 1.054 250 R CB 0.290 30.586 30.300 -0.007 0.000 0.985 250 R HN 0.177 nan 8.270 nan 0.000 0.489 251 G N 1.218 109.905 108.800 -0.188 0.000 2.157 251 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.239 251 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.239 251 G C -0.480 173.979 174.900 -0.736 0.000 0.982 251 G CA 0.164 44.914 45.100 -0.583 0.000 0.650 251 G HN 0.457 nan 8.290 nan 0.000 0.527 252 D N 0.877 121.076 120.400 -0.335 0.000 2.563 252 D HA 0.406 5.046 4.640 -0.001 0.000 0.222 252 D C 0.139 176.417 176.300 -0.036 0.000 1.145 252 D CA -0.624 53.267 54.000 -0.182 0.000 1.001 252 D CB -0.462 40.299 40.800 -0.065 0.000 1.049 252 D HN 0.243 nan 8.370 nan 0.000 0.515 253 Y N 2.833 123.137 120.300 0.007 0.000 2.537 253 Y HA 0.219 4.768 4.550 -0.001 0.000 0.339 253 Y C -1.510 174.378 175.900 -0.020 0.000 1.066 253 Y CA -3.063 55.052 58.100 0.025 0.000 1.357 253 Y CB -0.346 38.150 38.460 0.060 0.000 1.175 253 Y HN 0.251 nan 8.280 nan 0.000 0.525 254 P HA 0.229 nan 4.420 nan 0.000 0.276 254 P C -0.410 176.806 177.300 -0.140 0.000 1.230 254 P CA -0.402 62.626 63.100 -0.121 0.000 0.776 254 P CB 1.352 32.989 31.700 -0.105 0.000 0.888 255 R N 3.137 123.388 120.500 -0.414 0.000 2.740 255 R HA 0.546 4.886 4.340 -0.001 0.000 0.282 255 R C -1.308 174.675 176.300 -0.528 0.000 0.969 255 R CA -0.627 55.306 56.100 -0.279 0.000 0.918 255 R CB 1.513 31.729 30.300 -0.141 0.000 1.175 255 R HN 0.540 nan 8.270 nan 0.000 0.464 256 W N 3.033 124.165 121.300 -0.280 0.000 2.998 256 W HA 0.366 5.026 4.660 -0.001 0.000 0.335 256 W C -0.667 175.939 176.519 0.146 0.000 1.110 256 W CA -0.766 56.523 57.345 -0.092 0.000 1.230 256 W CB 2.222 31.612 29.460 -0.118 0.000 1.405 256 W HN 0.349 nan 8.180 nan 0.000 0.493 257 K N 2.746 123.378 120.400 0.386 0.000 2.234 257 K HA 0.304 4.623 4.320 -0.001 0.000 0.277 257 K C -0.404 176.378 176.600 0.303 0.000 1.038 257 K CA -0.914 55.581 56.287 0.347 0.000 0.888 257 K CB 1.651 34.264 32.500 0.188 0.000 1.091 257 K HN 0.185 nan 8.250 nan 0.000 0.467 258 L N 3.891 125.307 121.223 0.322 0.000 2.313 258 L HA 0.147 4.486 4.340 -0.001 0.000 0.282 258 L C -0.783 176.089 176.870 0.002 0.000 1.092 258 L CA 0.673 55.507 54.840 -0.009 0.000 0.831 258 L CB 0.548 42.688 42.059 0.133 0.000 1.159 258 L HN 0.564 nan 8.230 nan 0.000 0.442 259 Q N 5.735 125.488 119.800 -0.078 0.000 2.394 259 Q HA 0.691 5.030 4.340 -0.001 0.000 0.273 259 Q C -1.067 174.939 176.000 0.009 0.000 1.089 259 Q CA -0.756 55.020 55.803 -0.044 0.000 0.812 259 Q CB 2.879 31.563 28.738 -0.089 0.000 1.353 259 Q HN 0.777 nan 8.270 nan 0.000 0.438 260 I N -2.049 118.520 120.570 -0.002 0.000 2.785 260 I HA 0.542 4.711 4.170 -0.001 0.000 0.302 260 I C -1.019 175.083 176.117 -0.024 0.000 1.069 260 I CA -1.082 60.228 61.300 0.017 0.000 1.045 260 I CB 2.164 40.156 38.000 -0.013 0.000 1.236 260 I HN 0.441 nan 8.210 nan 0.000 0.429 261 Q N 3.667 123.466 119.800 -0.002 0.000 2.333 261 Q HA 0.652 4.992 4.340 -0.001 0.000 0.267 261 Q C -1.424 174.632 176.000 0.093 0.000 1.012 261 Q CA -0.673 55.187 55.803 0.094 0.000 0.824 261 Q CB 3.233 32.111 28.738 0.234 0.000 1.290 261 Q HN 0.616 nan 8.270 nan 0.000 0.449 262 I N 2.601 123.212 120.570 0.068 0.000 2.465 262 I HA 0.409 4.578 4.170 -0.001 0.000 0.291 262 I C -1.017 175.097 176.117 -0.004 0.000 1.014 262 I CA -0.426 60.853 61.300 -0.035 0.000 1.093 262 I CB 1.607 39.315 38.000 -0.486 0.000 1.267 262 I HN 0.551 nan 8.210 nan 0.000 0.431 263 M N 9.376 128.955 119.600 -0.034 0.000 2.093 263 M HA 0.543 5.022 4.480 -0.001 0.000 0.297 263 M C -2.689 173.670 176.300 0.099 0.000 0.938 263 M CA -1.692 53.480 55.300 -0.213 0.000 0.920 263 M CB 1.802 33.896 32.600 -0.844 0.000 1.517 263 M HN 0.157 nan 8.290 nan 0.000 0.427 264 P HA 0.004 nan 4.420 nan 0.000 0.265 264 P C 0.229 177.490 177.300 -0.065 0.000 1.193 264 P CA 0.338 63.477 63.100 0.065 0.000 0.765 264 P CB 0.550 32.327 31.700 0.127 0.000 0.823 265 E N 3.865 123.884 120.200 -0.302 0.000 2.149 265 E HA -0.362 3.988 4.350 -0.001 0.000 0.215 265 E C 1.545 178.178 176.600 0.055 0.000 1.055 265 E CA 2.212 58.469 56.400 -0.239 0.000 0.870 265 E CB -0.012 29.467 29.700 -0.369 0.000 0.764 265 E HN 0.488 nan 8.360 nan 0.000 0.463 266 K N 0.010 120.402 120.400 -0.013 0.000 2.209 266 K HA -0.156 4.164 4.320 -0.001 0.000 0.204 266 K C 1.651 178.270 176.600 0.033 0.000 1.048 266 K CA 1.630 57.928 56.287 0.019 0.000 0.940 266 K CB -0.148 32.345 32.500 -0.011 0.000 0.729 266 K HN 0.169 nan 8.250 nan 0.000 0.451 267 E N 0.681 120.902 120.200 0.036 0.000 2.418 267 E HA -0.051 4.298 4.350 -0.001 0.000 0.197 267 E C 1.853 178.415 176.600 -0.063 0.000 1.026 267 E CA 0.518 56.920 56.400 0.004 0.000 0.862 267 E CB 0.012 29.738 29.700 0.043 0.000 0.799 267 E HN 0.522 nan 8.360 nan 0.000 0.518 268 A N 1.198 124.018 122.820 0.001 0.000 2.015 268 A HA -0.132 4.187 4.320 -0.001 0.000 0.219 268 A C 2.226 179.728 177.584 -0.137 0.000 1.163 268 A CA 1.501 53.466 52.037 -0.120 0.000 0.646 268 A CB -0.195 18.835 19.000 0.050 0.000 0.806 268 A HN 0.280 nan 8.150 nan 0.000 0.448 269 S N -1.219 114.452 115.700 -0.049 0.000 2.575 269 S HA -0.019 4.450 4.470 -0.001 0.000 0.215 269 S C 1.477 176.022 174.600 -0.091 0.000 0.966 269 S CA 1.027 59.194 58.200 -0.056 0.000 0.911 269 S CB -0.520 62.675 63.200 -0.008 0.000 0.780 269 S HN 0.698 nan 8.310 nan 0.000 0.514 270 T N -0.088 114.397 114.554 -0.115 0.000 3.015 270 T HA 0.250 4.599 4.350 -0.001 0.000 0.250 270 T C 0.640 175.228 174.700 -0.187 0.000 1.057 270 T CA 0.314 62.344 62.100 -0.117 0.000 1.066 270 T CB -0.744 68.077 68.868 -0.077 0.000 0.959 270 T HN 0.421 nan 8.240 nan 0.000 0.488 271 V N 1.318 121.043 119.914 -0.314 0.000 2.715 271 V HA 0.414 4.534 4.120 -0.001 0.000 0.299 271 V C -1.377 174.409 176.094 -0.513 0.000 1.054 271 V CA -1.741 60.229 62.300 -0.549 0.000 1.077 271 V CB 0.513 31.720 31.823 -1.028 0.000 0.972 271 V HN 0.136 nan 8.190 nan 0.000 0.484 272 P HA 0.159 nan 4.420 nan 0.000 0.263 272 P C -0.653 176.636 177.300 -0.017 0.000 1.386 272 P CA 0.505 63.523 63.100 -0.135 0.000 0.797 272 P CB -0.662 31.037 31.700 -0.002 0.000 1.381 273 Y N -3.329 116.936 120.300 -0.058 0.000 2.689 273 Y HA 0.607 5.156 4.550 -0.001 0.000 0.333 273 Y C -0.447 175.398 175.900 -0.091 0.000 1.190 273 Y CA -2.019 56.049 58.100 -0.054 0.000 1.063 273 Y CB -0.081 38.364 38.460 -0.024 0.000 1.294 273 Y HN -0.362 nan 8.280 nan 0.000 0.466 274 N N 3.045 121.839 118.700 0.156 0.000 2.437 274 N HA 0.305 5.045 4.740 -0.001 0.000 0.243 274 N C -1.961 173.581 175.510 0.054 0.000 1.041 274 N CA -2.750 50.322 53.050 0.036 0.000 0.940 274 N CB 0.984 39.515 38.487 0.074 0.000 1.133 274 N HN 0.528 nan 8.380 nan 0.000 0.506 275 P HA 0.014 nan 4.420 nan 0.000 0.237 275 P C -0.143 176.973 177.300 -0.307 0.000 1.178 275 P CA 0.640 63.621 63.100 -0.198 0.000 0.766 275 P CB -0.043 31.230 31.700 -0.711 0.000 0.876 276 F N -0.429 119.544 119.950 0.039 0.000 2.684 276 F HA 0.291 4.817 4.527 -0.001 0.000 0.298 276 F C 0.675 176.474 175.800 -0.000 0.000 1.120 276 F CA -1.183 56.787 58.000 -0.050 0.000 1.332 276 F CB -0.293 38.606 39.000 -0.168 0.000 0.986 276 F HN -0.175 nan 8.300 nan 0.000 0.524 277 D N 1.232 121.716 120.400 0.140 0.000 2.313 277 D HA 0.095 4.734 4.640 -0.001 0.000 0.239 277 D C 1.069 177.416 176.300 0.077 0.000 1.142 277 D CA -0.083 53.983 54.000 0.109 0.000 0.847 277 D CB 1.410 42.270 40.800 0.100 0.000 1.082 277 D HN 0.138 nan 8.370 nan 0.000 0.480 278 L N 4.021 125.291 121.223 0.079 0.000 2.362 278 L HA -0.058 4.282 4.340 -0.001 0.000 0.219 278 L C 2.012 178.894 176.870 0.020 0.000 1.134 278 L CA 1.642 56.504 54.840 0.038 0.000 0.807 278 L CB -0.510 41.598 42.059 0.082 0.000 0.927 278 L HN 0.581 nan 8.230 nan 0.000 0.447 279 T N -4.213 110.378 114.554 0.062 0.000 3.144 279 T HA 0.155 4.504 4.350 -0.001 0.000 0.249 279 T C 0.672 175.477 174.700 0.175 0.000 1.089 279 T CA -0.127 62.025 62.100 0.086 0.000 0.989 279 T CB -0.145 68.792 68.868 0.115 0.000 0.992 279 T HN 0.189 nan 8.240 nan 0.000 0.540 280 K N 0.806 121.268 120.400 0.104 0.000 2.400 280 K HA 0.702 5.022 4.320 -0.001 0.000 0.246 280 K C -0.969 175.656 176.600 0.041 0.000 0.995 280 K CA -1.111 55.248 56.287 0.121 0.000 0.840 280 K CB 2.880 35.425 32.500 0.074 0.000 1.293 280 K HN 0.113 nan 8.250 nan 0.000 0.445 281 V N -2.292 117.661 119.914 0.065 0.000 3.001 281 V HA 0.617 4.737 4.120 -0.001 0.000 0.314 281 V C -1.342 174.827 176.094 0.124 0.000 1.099 281 V CA -1.016 61.299 62.300 0.025 0.000 0.989 281 V CB 1.351 33.212 31.823 0.063 0.000 1.040 281 V HN 0.625 nan 8.190 nan 0.000 0.434 282 W N 1.108 122.402 121.300 -0.010 0.000 2.365 282 W HA 0.641 5.301 4.660 -0.001 0.000 0.316 282 W C -2.419 174.171 176.519 0.120 0.000 1.164 282 W CA -2.569 54.782 57.345 0.009 0.000 1.204 282 W CB -0.061 29.477 29.460 0.130 0.000 1.213 282 W HN 0.415 nan 8.180 nan 0.000 0.539 283 P HA 0.011 nan 4.420 nan 0.000 0.271 283 P C 0.610 178.120 177.300 0.350 0.000 1.216 283 P CA 0.274 63.525 63.100 0.252 0.000 0.771 283 P CB 0.786 32.559 31.700 0.122 0.000 0.864 284 H N 1.993 121.132 119.070 0.115 0.000 2.423 284 H HA -0.069 4.487 4.556 -0.001 0.000 0.297 284 H C 1.925 177.279 175.328 0.044 0.000 1.075 284 H CA 1.846 57.946 56.048 0.087 0.000 1.342 284 H CB -0.732 29.057 29.762 0.046 0.000 1.395 284 H HN 0.449 nan 8.280 nan 0.000 0.530 285 A N 0.469 123.379 122.820 0.149 0.000 1.972 285 A HA -0.149 4.170 4.320 -0.001 0.000 0.219 285 A C 1.664 179.227 177.584 -0.034 0.000 1.169 285 A CA 1.945 54.012 52.037 0.050 0.000 0.635 285 A CB -0.078 18.943 19.000 0.036 0.000 0.810 285 A HN 0.301 nan 8.150 nan 0.000 0.446 286 D N -2.163 118.189 120.400 -0.080 0.000 2.201 286 D HA 0.089 4.728 4.640 -0.001 0.000 0.209 286 D C -0.474 175.442 176.300 -0.640 0.000 0.961 286 D CA 0.993 54.776 54.000 -0.361 0.000 0.861 286 D CB -0.035 40.543 40.800 -0.370 0.000 0.997 286 D HN 0.465 nan 8.370 nan 0.000 0.486 287 Y N 1.142 121.497 120.300 0.090 0.000 2.526 287 Y HA 0.318 4.867 4.550 -0.001 0.000 0.328 287 Y C -2.203 173.710 175.900 0.023 0.000 0.995 287 Y CA -2.657 55.493 58.100 0.084 0.000 1.304 287 Y CB 1.535 40.108 38.460 0.189 0.000 1.096 287 Y HN -0.143 nan 8.280 nan 0.000 0.499 288 P HA 0.111 nan 4.420 nan 0.000 0.274 288 P C -0.654 176.599 177.300 -0.078 0.000 1.231 288 P CA -0.389 62.694 63.100 -0.028 0.000 0.790 288 P CB 1.627 33.325 31.700 -0.004 0.000 0.951 289 L N 2.747 123.854 121.223 -0.193 0.000 2.313 289 L HA 0.278 4.618 4.340 -0.001 0.000 0.282 289 L C 0.892 177.689 176.870 -0.122 0.000 1.092 289 L CA 0.646 55.357 54.840 -0.216 0.000 0.831 289 L CB -0.232 41.618 42.059 -0.348 0.000 1.159 289 L HN 0.302 nan 8.230 nan 0.000 0.442 290 M N 2.656 122.202 119.600 -0.089 0.000 2.336 290 M HA 0.338 4.817 4.480 -0.001 0.000 0.342 290 M C -0.491 175.744 176.300 -0.108 0.000 1.128 290 M CA -0.771 54.483 55.300 -0.075 0.000 1.016 290 M CB 1.492 34.087 32.600 -0.009 0.000 1.665 290 M HN 0.438 nan 8.290 nan 0.000 0.445 291 D N 1.574 121.843 120.400 -0.218 0.000 2.399 291 D HA 0.149 4.789 4.640 -0.001 0.000 0.241 291 D C 0.407 176.611 176.300 -0.161 0.000 1.133 291 D CA 0.162 53.994 54.000 -0.280 0.000 0.890 291 D CB 1.966 42.383 40.800 -0.638 0.000 1.201 291 D HN 0.318 nan 8.370 nan 0.000 0.432 292 V N 0.284 120.213 119.914 0.025 0.000 3.102 292 V HA 0.420 4.540 4.120 -0.001 0.000 0.225 292 V C 0.840 177.088 176.094 0.258 0.000 1.301 292 V CA 0.754 63.133 62.300 0.132 0.000 1.308 292 V CB 0.604 32.466 31.823 0.065 0.000 1.129 292 V HN 0.764 nan 8.190 nan 0.000 0.502 293 G N -0.502 108.466 108.800 0.280 0.000 2.348 293 G HA2 0.489 4.449 3.960 -0.001 0.000 0.296 293 G HA3 0.489 4.449 3.960 -0.001 0.000 0.296 293 G C -2.071 172.977 174.900 0.246 0.000 1.258 293 G CA 0.089 45.265 45.100 0.128 0.000 0.868 293 G HN 0.485 nan 8.290 nan 0.000 0.488 294 Y N -1.255 119.002 120.300 -0.072 0.000 2.615 294 Y HA 0.851 5.400 4.550 -0.001 0.000 0.341 294 Y C -1.142 174.953 175.900 0.325 0.000 1.089 294 Y CA -2.268 55.954 58.100 0.204 0.000 1.049 294 Y CB 1.671 40.206 38.460 0.125 0.000 1.296 294 Y HN 1.124 nan 8.280 nan 0.000 0.470 295 F N 0.235 120.592 119.950 0.679 0.000 2.565 295 F HA 0.847 5.373 4.527 -0.001 0.000 0.313 295 F C -1.329 174.822 175.800 0.586 0.000 1.091 295 F CA -1.124 57.241 58.000 0.608 0.000 0.915 295 F CB 2.234 41.671 39.000 0.729 0.000 1.208 295 F HN 0.721 nan 8.300 nan 0.000 0.453 296 E N 4.110 124.658 120.200 0.581 0.000 2.293 296 E HA 0.579 4.929 4.350 -0.001 0.000 0.270 296 E C -1.873 174.952 176.600 0.375 0.000 0.879 296 E CA -1.028 55.609 56.400 0.395 0.000 0.756 296 E CB 2.498 32.393 29.700 0.324 0.000 1.208 296 E HN 0.826 nan 8.360 nan 0.000 0.428 297 L N 3.689 125.111 121.223 0.331 0.000 2.268 297 L HA 0.279 4.618 4.340 -0.001 0.000 0.289 297 L C 0.054 176.902 176.870 -0.038 0.000 1.064 297 L CA -0.573 54.387 54.840 0.200 0.000 0.824 297 L CB 0.076 42.292 42.059 0.261 0.000 1.202 297 L HN 0.692 nan 8.230 nan 0.000 0.433 298 N N 2.121 120.678 118.700 -0.239 0.000 2.184 298 N HA 0.092 4.831 4.740 -0.001 0.000 0.206 298 N C 0.145 175.394 175.510 -0.436 0.000 1.151 298 N CA -0.419 52.139 53.050 -0.821 0.000 0.878 298 N CB 0.605 38.563 38.487 -0.882 0.000 1.014 298 N HN 0.454 nan 8.380 nan 0.000 0.512 299 R N 0.162 120.605 120.500 -0.094 0.000 2.510 299 R HA 0.319 4.658 4.340 -0.001 0.000 0.287 299 R C -1.588 174.798 176.300 0.144 0.000 1.084 299 R CA -0.514 55.602 56.100 0.028 0.000 0.934 299 R CB 0.904 31.232 30.300 0.047 0.000 1.201 299 R HN 0.118 nan 8.270 nan 0.000 0.431 300 N N 4.318 123.062 118.700 0.073 0.000 2.513 300 N HA 0.191 4.930 4.740 -0.001 0.000 0.268 300 N C -2.399 173.280 175.510 0.281 0.000 1.180 300 N CA -1.190 51.925 53.050 0.109 0.000 0.948 300 N CB 0.919 39.294 38.487 -0.187 0.000 1.083 300 N HN 0.298 nan 8.380 nan 0.000 0.455 301 P HA 0.016 nan 4.420 nan 0.000 0.269 301 P C -0.148 177.348 177.300 0.327 0.000 1.209 301 P CA -0.114 63.273 63.100 0.478 0.000 0.776 301 P CB 0.668 32.637 31.700 0.448 0.000 0.876 302 D N 0.144 120.679 120.400 0.226 0.000 2.144 302 D HA -0.084 4.555 4.640 -0.001 0.000 0.200 302 D C 0.474 176.890 176.300 0.194 0.000 0.978 302 D CA 1.668 55.769 54.000 0.168 0.000 0.833 302 D CB -0.012 40.837 40.800 0.082 0.000 0.961 302 D HN 0.353 nan 8.370 nan 0.000 0.470 303 N N -0.897 117.922 118.700 0.198 0.000 2.454 303 N HA -0.037 4.702 4.740 -0.001 0.000 0.291 303 N C -0.100 175.552 175.510 0.236 0.000 1.079 303 N CA -0.360 52.816 53.050 0.210 0.000 0.893 303 N CB 1.351 39.937 38.487 0.165 0.000 1.512 303 N HN -0.154 nan 8.380 nan 0.000 0.497 304 Y N 4.192 124.594 120.300 0.171 0.000 2.145 304 Y HA -0.203 4.346 4.550 -0.001 0.000 0.286 304 Y C 1.796 177.785 175.900 0.148 0.000 1.145 304 Y CA 1.812 60.009 58.100 0.162 0.000 1.148 304 Y CB -0.149 38.400 38.460 0.148 0.000 0.981 304 Y HN 0.673 nan 8.280 nan 0.000 0.507 305 F N 0.178 120.239 119.950 0.184 0.000 2.075 305 F HA -0.231 4.295 4.527 -0.001 0.000 0.297 305 F C 2.507 178.283 175.800 -0.041 0.000 1.113 305 F CA 2.175 60.220 58.000 0.074 0.000 1.218 305 F CB -0.830 38.230 39.000 0.099 0.000 0.984 305 F HN -0.034 nan 8.300 nan 0.000 0.472 306 S N 0.003 115.737 115.700 0.056 0.000 2.368 306 S HA -0.188 4.282 4.470 -0.001 0.000 0.225 306 S C 1.549 176.019 174.600 -0.216 0.000 1.030 306 S CA 1.604 59.757 58.200 -0.079 0.000 0.999 306 S CB -0.363 62.868 63.200 0.052 0.000 0.844 306 S HN 0.492 nan 8.310 nan 0.000 0.459 307 D N 0.006 120.298 120.400 -0.181 0.000 2.323 307 D HA 0.115 4.754 4.640 -0.001 0.000 0.218 307 D C 1.866 177.894 176.300 -0.454 0.000 0.973 307 D CA 0.637 54.463 54.000 -0.290 0.000 0.890 307 D CB 0.079 40.845 40.800 -0.057 0.000 1.011 307 D HN 0.278 nan 8.370 nan 0.000 0.499 308 V N 0.597 120.273 119.914 -0.397 0.000 2.627 308 V HA -0.031 4.088 4.120 -0.001 0.000 0.239 308 V C 2.271 178.100 176.094 -0.441 0.000 1.077 308 V CA 0.642 62.706 62.300 -0.393 0.000 1.103 308 V CB -0.105 31.294 31.823 -0.707 0.000 0.802 308 V HN -0.053 nan 8.190 nan 0.000 0.482 309 E N 0.967 120.823 120.200 -0.574 0.000 2.077 309 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 309 E C 2.121 178.482 176.600 -0.399 0.000 0.989 309 E CA 1.575 57.759 56.400 -0.360 0.000 0.800 309 E CB -0.192 29.380 29.700 -0.214 0.000 0.746 309 E HN 0.615 nan 8.360 nan 0.000 0.452 310 Q N -0.388 119.077 119.800 -0.558 0.000 2.403 310 Q HA 0.250 4.589 4.340 -0.001 0.000 0.203 310 Q C -0.194 175.565 176.000 -0.401 0.000 0.932 310 Q CA 0.159 55.661 55.803 -0.502 0.000 0.945 310 Q CB 0.467 28.857 28.738 -0.580 0.000 1.045 310 Q HN 0.209 nan 8.270 nan 0.000 0.511 311 A N 1.026 123.620 122.820 -0.376 0.000 2.477 311 A HA 0.456 4.776 4.320 -0.001 0.000 0.246 311 A C -0.157 177.187 177.584 -0.400 0.000 1.078 311 A CA 0.148 51.929 52.037 -0.428 0.000 0.770 311 A CB 0.254 19.081 19.000 -0.287 0.000 1.011 311 A HN 0.267 nan 8.150 nan 0.000 0.494 312 A N 2.689 125.138 122.820 -0.618 0.000 2.310 312 A HA 0.700 5.020 4.320 -0.001 0.000 0.304 312 A C -0.873 176.331 177.584 -0.634 0.000 1.231 312 A CA -0.383 51.209 52.037 -0.743 0.000 0.799 312 A CB 0.216 18.541 19.000 -1.125 0.000 1.162 312 A HN 0.634 nan 8.150 nan 0.000 0.486 313 F N 1.386 121.262 119.950 -0.123 0.000 2.469 313 F HA 0.731 5.257 4.527 -0.001 0.000 0.332 313 F C 0.777 176.659 175.800 0.137 0.000 1.103 313 F CA -0.271 57.703 58.000 -0.044 0.000 0.979 313 F CB 2.482 41.413 39.000 -0.115 0.000 1.137 313 F HN 0.466 nan 8.300 nan 0.000 0.463 314 S N 2.920 118.715 115.700 0.158 0.000 2.572 314 S HA 0.435 4.904 4.470 -0.001 0.000 0.274 314 S C -2.423 172.105 174.600 -0.121 0.000 1.150 314 S CA -1.366 56.799 58.200 -0.058 0.000 0.944 314 S CB 1.846 65.135 63.200 0.149 0.000 1.071 314 S HN 0.251 nan 8.310 nan 0.000 0.479 315 P HA 0.097 nan 4.420 nan 0.000 0.226 315 P C 1.030 178.480 177.300 0.249 0.000 1.153 315 P CA 0.789 63.898 63.100 0.016 0.000 0.777 315 P CB 0.121 31.776 31.700 -0.075 0.000 0.794 316 A N -0.612 122.285 122.820 0.129 0.000 2.066 316 A HA -0.097 4.223 4.320 -0.001 0.000 0.218 316 A C 1.070 178.847 177.584 0.321 0.000 1.157 316 A CA 0.717 52.905 52.037 0.252 0.000 0.670 316 A CB -1.282 17.780 19.000 0.104 0.000 0.804 316 A HN 0.251 nan 8.150 nan 0.000 0.453 317 N N 0.873 119.708 118.700 0.226 0.000 2.739 317 N HA 0.399 5.138 4.740 -0.001 0.000 0.266 317 N C -0.393 175.280 175.510 0.272 0.000 1.168 317 N CA -0.233 52.931 53.050 0.191 0.000 1.055 317 N CB 0.023 38.575 38.487 0.108 0.000 1.393 317 N HN 0.628 nan 8.380 nan 0.000 0.514 318 I N -1.768 118.951 120.570 0.247 0.000 2.982 318 I HA 0.699 4.868 4.170 -0.001 0.000 0.312 318 I C 0.081 176.226 176.117 0.046 0.000 1.041 318 I CA -1.319 60.097 61.300 0.193 0.000 1.053 318 I CB 1.268 39.283 38.000 0.025 0.000 1.248 318 I HN -0.107 nan 8.210 nan 0.000 0.471 319 V N -1.165 118.700 119.914 -0.082 0.000 2.960 319 V HA 0.685 4.804 4.120 -0.001 0.000 0.315 319 V C -2.769 173.225 176.094 -0.167 0.000 1.087 319 V CA -2.654 59.565 62.300 -0.136 0.000 0.982 319 V CB 1.034 32.757 31.823 -0.166 0.000 1.039 319 V HN 0.605 nan 8.190 nan 0.000 0.437 320 P HA 0.342 nan 4.420 nan 0.000 0.262 320 P C 0.932 178.191 177.300 -0.070 0.000 1.182 320 P CA 2.046 65.112 63.100 -0.056 0.000 0.761 320 P CB 0.705 32.430 31.700 0.041 0.000 0.795 321 G N 2.394 111.170 108.800 -0.040 0.000 2.213 321 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.226 321 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.226 321 G C -0.012 174.869 174.900 -0.032 0.000 0.992 321 G CA -0.352 44.710 45.100 -0.064 0.000 0.632 321 G HN 0.482 nan 8.290 nan 0.000 0.511 322 I N 0.865 121.409 120.570 -0.043 0.000 2.533 322 I HA 0.714 4.884 4.170 -0.001 0.000 0.290 322 I C 0.052 176.155 176.117 -0.024 0.000 1.056 322 I CA -0.696 60.650 61.300 0.076 0.000 1.057 322 I CB 2.110 40.011 38.000 -0.165 0.000 1.240 322 I HN 0.143 nan 8.210 nan 0.000 0.423 323 S N 3.770 119.492 115.700 0.037 0.000 2.903 323 S HA 0.719 5.189 4.470 -0.001 0.000 0.314 323 S C -0.812 173.767 174.600 -0.035 0.000 1.177 323 S CA -0.429 57.619 58.200 -0.253 0.000 0.859 323 S CB 0.990 64.060 63.200 -0.217 0.000 1.265 323 S HN 0.301 nan 8.310 nan 0.000 0.584 324 F N 1.828 121.941 119.950 0.271 0.000 2.272 324 F HA 0.765 5.291 4.527 -0.001 0.000 0.316 324 F C 1.027 176.957 175.800 0.215 0.000 1.068 324 F CA -0.288 57.828 58.000 0.193 0.000 1.114 324 F CB 0.121 39.164 39.000 0.072 0.000 1.611 324 F HN 0.619 nan 8.300 nan 0.000 0.519 325 S N -0.854 115.001 115.700 0.259 0.000 2.596 325 S HA 0.459 4.928 4.470 -0.001 0.000 0.270 325 S C -2.726 171.722 174.600 -0.252 0.000 1.155 325 S CA -1.148 57.068 58.200 0.026 0.000 0.827 325 S CB 1.840 65.015 63.200 -0.042 0.000 1.130 325 S HN 0.323 nan 8.310 nan 0.000 0.467 326 P HA 0.095 nan 4.420 nan 0.000 0.258 326 P C -0.323 176.744 177.300 -0.388 0.000 1.319 326 P CA 0.127 62.917 63.100 -0.516 0.000 0.785 326 P CB -0.572 30.720 31.700 -0.679 0.000 1.252 327 D N 1.451 121.676 120.400 -0.292 0.000 2.389 327 D HA -0.038 4.602 4.640 -0.001 0.000 0.263 327 D C 1.135 177.368 176.300 -0.113 0.000 1.255 327 D CA 0.251 54.197 54.000 -0.091 0.000 0.914 327 D CB 0.799 41.579 40.800 -0.033 0.000 1.116 327 D HN 0.014 nan 8.370 nan 0.000 0.502 328 K N 3.451 123.823 120.400 -0.047 0.000 2.127 328 K HA -0.183 4.136 4.320 -0.001 0.000 0.208 328 K C 1.911 178.494 176.600 -0.028 0.000 1.047 328 K CA 1.073 57.344 56.287 -0.027 0.000 0.927 328 K CB -0.007 32.510 32.500 0.028 0.000 0.716 328 K HN 0.534 nan 8.250 nan 0.000 0.450 329 M N 0.285 119.888 119.600 0.006 0.000 2.132 329 M HA -0.098 4.382 4.480 -0.001 0.000 0.263 329 M C 2.306 178.533 176.300 -0.120 0.000 1.065 329 M CA 1.046 56.369 55.300 0.039 0.000 1.122 329 M CB -0.736 31.984 32.600 0.200 0.000 1.365 329 M HN 0.156 nan 8.290 nan 0.000 0.411 330 L N 0.951 121.938 121.223 -0.393 0.000 2.056 330 L HA -0.154 4.185 4.340 -0.001 0.000 0.207 330 L C 2.418 179.056 176.870 -0.386 0.000 1.078 330 L CA 1.811 56.227 54.840 -0.706 0.000 0.749 330 L CB -0.833 40.657 42.059 -0.948 0.000 0.901 330 L HN 0.265 nan 8.230 nan 0.000 0.433 331 Q N -0.163 119.470 119.800 -0.278 0.000 2.135 331 Q HA -0.140 4.200 4.340 -0.001 0.000 0.204 331 Q C 2.106 178.020 176.000 -0.143 0.000 0.981 331 Q CA 1.636 57.308 55.803 -0.218 0.000 0.856 331 Q CB -0.801 27.846 28.738 -0.150 0.000 0.902 331 Q HN 0.680 nan 8.270 nan 0.000 0.425 332 G N 0.729 109.475 108.800 -0.090 0.000 2.422 332 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.218 332 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.218 332 G C 1.505 176.408 174.900 0.006 0.000 1.140 332 G CA 0.259 45.351 45.100 -0.014 0.000 0.775 332 G HN 0.278 nan 8.290 nan 0.000 0.545 333 R N -0.126 120.341 120.500 -0.054 0.000 2.189 333 R HA 0.149 4.489 4.340 -0.001 0.000 0.223 333 R C 2.284 178.587 176.300 0.006 0.000 1.092 333 R CA 0.333 56.454 56.100 0.034 0.000 0.989 333 R CB -0.306 29.978 30.300 -0.026 0.000 0.876 333 R HN 0.342 nan 8.270 nan 0.000 0.457 334 L N -0.303 120.851 121.223 -0.115 0.000 2.362 334 L HA -0.110 4.230 4.340 -0.001 0.000 0.219 334 L C 1.889 178.761 176.870 0.003 0.000 1.134 334 L CA 0.776 55.521 54.840 -0.158 0.000 0.807 334 L CB -0.270 41.572 42.059 -0.362 0.000 0.927 334 L HN 0.164 nan 8.230 nan 0.000 0.447 335 F N -0.449 119.456 119.950 -0.076 0.000 2.390 335 F HA 0.014 4.540 4.527 -0.001 0.000 0.281 335 F C 2.655 178.436 175.800 -0.032 0.000 1.016 335 F CA 1.028 58.999 58.000 -0.049 0.000 1.286 335 F CB -0.423 38.546 39.000 -0.052 0.000 1.134 335 F HN -0.137 nan 8.300 nan 0.000 0.597 336 S N -0.147 115.377 115.700 -0.294 0.000 2.368 336 S HA -0.290 4.179 4.470 -0.001 0.000 0.226 336 S C 2.102 176.434 174.600 -0.446 0.000 1.044 336 S CA 2.284 60.226 58.200 -0.429 0.000 1.062 336 S CB -0.807 62.244 63.200 -0.247 0.000 0.931 336 S HN 0.511 nan 8.310 nan 0.000 0.440 337 Y N 1.333 121.384 120.300 -0.415 0.000 2.114 337 Y HA 0.041 4.590 4.550 -0.001 0.000 0.284 337 Y C 2.881 178.287 175.900 -0.823 0.000 1.143 337 Y CA 1.036 58.796 58.100 -0.566 0.000 1.135 337 Y CB -1.270 36.956 38.460 -0.391 0.000 0.980 337 Y HN 0.390 nan 8.280 nan 0.000 0.499 338 G N -0.608 108.014 108.800 -0.296 0.000 2.440 338 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.218 338 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.218 338 G C 1.286 176.058 174.900 -0.213 0.000 1.154 338 G CA 1.413 46.415 45.100 -0.163 0.000 0.767 338 G HN 0.422 nan 8.290 nan 0.000 0.552 339 D N 0.584 120.757 120.400 -0.379 0.000 2.117 339 D HA 0.045 4.684 4.640 -0.001 0.000 0.197 339 D C 2.690 178.847 176.300 -0.237 0.000 0.987 339 D CA 1.424 55.198 54.000 -0.377 0.000 0.829 339 D CB -0.324 39.987 40.800 -0.815 0.000 0.961 339 D HN 0.237 nan 8.370 nan 0.000 0.460 340 A N -0.746 121.885 122.820 -0.315 0.000 1.930 340 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 340 A C 1.957 179.504 177.584 -0.062 0.000 1.175 340 A CA 1.611 53.536 52.037 -0.187 0.000 0.627 340 A CB -0.992 17.834 19.000 -0.290 0.000 0.815 340 A HN 0.475 nan 8.150 nan 0.000 0.443 341 H N -0.828 118.164 119.070 -0.131 0.000 2.353 341 H HA -0.057 4.499 4.556 -0.001 0.000 0.300 341 H C 2.411 177.629 175.328 -0.184 0.000 1.090 341 H CA 1.269 57.164 56.048 -0.256 0.000 1.327 341 H CB -0.017 29.432 29.762 -0.521 0.000 1.383 341 H HN 0.385 nan 8.280 nan 0.000 0.508 342 R N -0.111 120.432 120.500 0.073 0.000 2.120 342 R HA -0.178 4.162 4.340 -0.001 0.000 0.234 342 R C 1.989 178.351 176.300 0.103 0.000 1.123 342 R CA 1.493 57.665 56.100 0.121 0.000 0.975 342 R CB -0.243 30.124 30.300 0.111 0.000 0.866 342 R HN 0.407 nan 8.270 nan 0.000 0.446 343 Y N 1.146 121.435 120.300 -0.018 0.000 2.176 343 Y HA -0.088 4.461 4.550 -0.001 0.000 0.291 343 Y C 2.493 178.387 175.900 -0.010 0.000 1.122 343 Y CA 1.246 59.337 58.100 -0.016 0.000 1.128 343 Y CB -0.170 38.270 38.460 -0.032 0.000 1.005 343 Y HN -0.205 nan 8.280 nan 0.000 0.509 344 R N -0.083 120.347 120.500 -0.116 0.000 2.081 344 R HA -0.094 4.245 4.340 -0.001 0.000 0.235 344 R C 1.643 177.843 176.300 -0.167 0.000 1.131 344 R CA 2.162 58.151 56.100 -0.185 0.000 0.960 344 R CB -0.253 30.038 30.300 -0.015 0.000 0.856 344 R HN 0.495 nan 8.270 nan 0.000 0.436 345 L N -1.305 119.849 121.223 -0.114 0.000 2.575 345 L HA 0.385 4.724 4.340 -0.001 0.000 0.228 345 L C 0.641 177.490 176.870 -0.034 0.000 1.075 345 L CA 0.135 54.920 54.840 -0.092 0.000 0.867 345 L CB 0.929 42.908 42.059 -0.133 0.000 1.097 345 L HN 0.448 nan 8.230 nan 0.000 0.485 346 G N -0.268 108.531 108.800 -0.002 0.000 2.570 346 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.686 346 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.686 346 G C 0.018 174.993 174.900 0.126 0.000 1.257 346 G CA -0.369 44.749 45.100 0.030 0.000 0.846 346 G HN -0.282 nan 8.290 nan 0.000 0.627 347 V N 0.439 120.405 119.914 0.087 0.000 2.490 347 V HA -0.050 4.070 4.120 -0.001 0.000 0.250 347 V C 1.716 177.813 176.094 0.005 0.000 1.061 347 V CA 2.304 64.653 62.300 0.082 0.000 1.064 347 V CB -0.319 31.521 31.823 0.029 0.000 0.670 347 V HN 0.633 nan 8.190 nan 0.000 0.461 348 N N 0.336 119.027 118.700 -0.015 0.000 2.466 348 N HA 0.046 4.786 4.740 -0.001 0.000 0.251 348 N C 1.041 176.389 175.510 -0.271 0.000 1.164 348 N CA 0.517 53.510 53.050 -0.095 0.000 0.888 348 N CB -0.216 38.222 38.487 -0.081 0.000 1.177 348 N HN 0.872 nan 8.380 nan 0.000 0.498 349 H N -0.957 118.053 119.070 -0.100 0.000 2.543 349 H HA -0.069 4.487 4.556 -0.001 0.000 0.286 349 H C 1.813 177.016 175.328 -0.209 0.000 1.037 349 H CA 1.097 57.044 56.048 -0.168 0.000 1.250 349 H CB -0.417 29.255 29.762 -0.150 0.000 1.373 349 H HN 0.401 nan 8.280 nan 0.000 0.580 350 H N 0.608 119.463 119.070 -0.358 0.000 2.491 350 H HA -0.065 4.490 4.556 -0.001 0.000 0.290 350 H C 1.137 176.306 175.328 -0.264 0.000 1.050 350 H CA 1.166 57.040 56.048 -0.290 0.000 1.309 350 H CB -0.132 29.453 29.762 -0.296 0.000 1.392 350 H HN 0.555 nan 8.280 nan 0.000 0.554 351 Q N 0.898 120.274 119.800 -0.707 0.000 2.297 351 Q HA 0.145 4.485 4.340 -0.001 0.000 0.204 351 Q C 0.654 176.495 176.000 -0.266 0.000 0.962 351 Q CA 0.180 55.701 55.803 -0.470 0.000 0.879 351 Q CB 0.306 28.784 28.738 -0.435 0.000 0.947 351 Q HN 0.470 nan 8.270 nan 0.000 0.462 352 I N 2.529 122.957 120.570 -0.237 0.000 2.587 352 I HA -0.044 4.125 4.170 -0.001 0.000 0.284 352 I C -1.625 174.374 176.117 -0.197 0.000 1.134 352 I CA -1.457 59.729 61.300 -0.191 0.000 1.410 352 I CB 0.618 38.497 38.000 -0.202 0.000 1.392 352 I HN -0.090 nan 8.210 nan 0.000 0.545 353 P HA -0.256 nan 4.420 nan 0.000 0.217 353 P C 1.743 178.932 177.300 -0.185 0.000 1.158 353 P CA 1.123 64.126 63.100 -0.162 0.000 0.887 353 P CB 0.202 31.824 31.700 -0.130 0.000 0.792 354 V N -0.507 119.285 119.914 -0.204 0.000 2.515 354 V HA -0.182 3.937 4.120 -0.001 0.000 0.250 354 V C 1.599 177.574 176.094 -0.197 0.000 1.058 354 V CA 2.013 64.169 62.300 -0.241 0.000 1.064 354 V CB -0.926 30.567 31.823 -0.551 0.000 0.675 354 V HN 0.113 nan 8.190 nan 0.000 0.461 355 N N 0.526 119.088 118.700 -0.230 0.000 2.424 355 N HA 0.180 4.919 4.740 -0.001 0.000 0.178 355 N C 0.707 176.149 175.510 -0.114 0.000 1.060 355 N CA 0.776 53.707 53.050 -0.198 0.000 0.901 355 N CB -0.139 38.225 38.487 -0.205 0.000 0.979 355 N HN 0.525 nan 8.380 nan 0.000 0.451 356 A N 2.867 125.593 122.820 -0.156 0.000 2.445 356 A HA 0.298 4.618 4.320 -0.001 0.000 0.242 356 A C -1.877 175.638 177.584 -0.115 0.000 1.075 356 A CA -0.790 51.100 52.037 -0.245 0.000 0.777 356 A CB -0.040 18.743 19.000 -0.362 0.000 1.013 356 A HN 0.030 nan 8.150 nan 0.000 0.493 357 P HA 0.136 nan 4.420 nan 0.000 0.277 357 P C 0.413 177.796 177.300 0.139 0.000 1.276 357 P CA -0.416 62.726 63.100 0.071 0.000 0.788 357 P CB 0.845 32.585 31.700 0.066 0.000 1.114 358 K N -0.019 120.486 120.400 0.175 0.000 1.992 358 K HA -0.001 4.319 4.320 -0.001 0.000 0.210 358 K C 0.285 176.977 176.600 0.154 0.000 1.036 358 K CA 0.775 57.139 56.287 0.129 0.000 0.946 358 K CB -0.647 31.933 32.500 0.134 0.000 0.742 358 K HN 0.460 nan 8.250 nan 0.000 0.442 359 C N 3.202 122.586 119.300 0.139 0.000 2.703 359 C HA 0.136 4.596 4.460 -0.001 0.000 0.411 359 C C -2.101 172.935 174.990 0.076 0.000 1.290 359 C CA -1.286 57.785 59.018 0.088 0.000 2.054 359 C CB -0.158 27.625 27.740 0.072 0.000 2.732 359 C HN 0.493 nan 8.230 nan 0.000 0.650 360 P HA 0.020 nan 4.420 nan 0.000 0.252 360 P C -0.430 176.770 177.300 -0.166 0.000 1.183 360 P CA 0.476 63.416 63.100 -0.267 0.000 0.973 360 P CB -0.417 31.170 31.700 -0.189 0.000 0.990 361 F N 1.324 121.298 119.950 0.040 0.000 2.518 361 F HA 0.314 4.841 4.527 -0.001 0.000 0.359 361 F C 0.854 176.726 175.800 0.120 0.000 1.118 361 F CA -0.715 57.326 58.000 0.067 0.000 1.287 361 F CB 0.065 39.097 39.000 0.054 0.000 1.132 361 F HN 0.386 nan 8.300 nan 0.000 0.587 362 H N 1.783 120.984 119.070 0.218 0.000 2.569 362 H HA 0.530 5.085 4.556 -0.001 0.000 0.357 362 H C -1.582 173.829 175.328 0.138 0.000 1.153 362 H CA -1.171 54.965 56.048 0.146 0.000 1.193 362 H CB 1.469 31.285 29.762 0.091 0.000 1.602 362 H HN 0.838 nan 8.280 nan 0.000 0.523 363 N N 2.808 121.688 118.700 0.299 0.000 2.336 363 N HA 0.055 4.795 4.740 -0.001 0.000 0.290 363 N C -0.631 174.899 175.510 0.033 0.000 1.058 363 N CA -0.519 52.512 53.050 -0.031 0.000 0.865 363 N CB 1.389 39.839 38.487 -0.062 0.000 1.581 363 N HN 0.538 nan 8.380 nan 0.000 0.480 364 Y N 2.345 122.397 120.300 -0.414 0.000 2.347 364 Y HA 0.190 4.739 4.550 -0.001 0.000 0.294 364 Y C 0.307 175.965 175.900 -0.402 0.000 1.117 364 Y CA 0.834 58.613 58.100 -0.535 0.000 1.184 364 Y CB 0.080 38.082 38.460 -0.764 0.000 1.047 364 Y HN 0.563 nan 8.280 nan 0.000 0.546 365 H N 2.852 121.771 119.070 -0.253 0.000 3.237 365 H HA -0.003 4.553 4.556 -0.001 0.000 0.270 365 H C 0.160 175.336 175.328 -0.253 0.000 0.900 365 H CA 0.464 56.363 56.048 -0.249 0.000 1.415 365 H CB -0.074 29.607 29.762 -0.136 0.000 1.484 365 H HN 0.322 nan 8.280 nan 0.000 0.540 366 R N 2.967 123.352 120.500 -0.191 0.000 2.349 366 R HA 0.058 4.397 4.340 -0.001 0.000 0.299 366 R C -0.046 176.230 176.300 -0.039 0.000 1.027 366 R CA -0.334 55.685 56.100 -0.136 0.000 0.958 366 R CB 0.589 30.769 30.300 -0.200 0.000 1.047 366 R HN 0.699 nan 8.270 nan 0.000 0.468 367 D N 1.454 121.848 120.400 -0.010 0.000 3.528 367 D HA -0.262 4.378 4.640 -0.001 0.000 0.163 367 D C 0.202 176.515 176.300 0.021 0.000 1.069 367 D CA 2.044 56.050 54.000 0.009 0.000 1.082 367 D CB -1.319 39.482 40.800 0.002 0.000 0.538 367 D HN 1.010 nan 8.370 nan 0.000 0.579 368 G N -0.670 108.139 108.800 0.015 0.000 2.712 368 G HA2 0.400 4.359 3.960 -0.001 0.000 0.686 368 G HA3 0.400 4.359 3.960 -0.001 0.000 0.686 368 G C 0.010 174.918 174.900 0.013 0.000 1.321 368 G CA 0.479 45.589 45.100 0.016 0.000 0.813 368 G HN 1.456 nan 8.290 nan 0.000 0.599 369 A N 0.978 123.803 122.820 0.009 0.000 2.540 369 A HA 0.618 4.937 4.320 -0.001 0.000 0.239 369 A C 1.395 178.977 177.584 -0.005 0.000 1.061 369 A CA 1.665 53.703 52.037 0.002 0.000 0.758 369 A CB 0.039 19.038 19.000 -0.001 0.000 0.991 369 A HN 2.598 nan 8.150 nan 0.000 0.502 370 M N 0.829 120.425 119.600 -0.006 0.000 2.253 370 M HA -0.146 4.333 4.480 -0.001 0.000 0.195 370 M C 0.023 176.313 176.300 -0.016 0.000 0.512 370 M CA 0.620 55.914 55.300 -0.011 0.000 0.442 370 M CB -1.231 31.358 32.600 -0.018 0.000 1.189 370 M HN 0.794 nan 8.290 nan 0.000 0.923 371 R N 0.626 121.126 120.500 -0.000 0.000 2.248 371 R HA 0.500 4.839 4.340 -0.001 0.000 0.337 371 R C 0.956 177.263 176.300 0.013 0.000 1.106 371 R CA 0.423 56.530 56.100 0.011 0.000 0.959 371 R CB 0.177 30.496 30.300 0.032 0.000 1.075 371 R HN 0.521 nan 8.270 nan 0.000 0.480 372 V N 0.072 119.986 119.914 0.001 0.000 3.661 372 V HA 0.190 4.310 4.120 -0.001 0.000 0.271 372 V C 0.744 176.855 176.094 0.028 0.000 1.315 372 V CA 0.654 62.960 62.300 0.009 0.000 1.072 372 V CB 0.441 32.261 31.823 -0.004 0.000 0.830 372 V HN 0.630 nan 8.190 nan 0.000 0.443 373 D N 1.026 121.455 120.400 0.048 0.000 2.336 373 D HA 0.276 4.916 4.640 -0.001 0.000 0.229 373 D C 1.610 177.971 176.300 0.101 0.000 1.061 373 D CA 0.755 54.812 54.000 0.096 0.000 0.875 373 D CB 0.166 41.061 40.800 0.157 0.000 0.904 373 D HN 0.889 nan 8.370 nan 0.000 0.525 374 G N -0.218 108.626 108.800 0.073 0.000 2.176 374 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.232 374 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.232 374 G C 0.388 175.330 174.900 0.069 0.000 0.986 374 G CA -0.057 45.080 45.100 0.062 0.000 0.643 374 G HN 0.569 nan 8.290 nan 0.000 0.522 375 N N -1.216 117.536 118.700 0.087 0.000 6.891 375 N HA -0.200 4.539 4.740 -0.001 0.000 0.420 375 N C 1.378 176.948 175.510 0.100 0.000 0.939 375 N CA 2.138 55.237 53.050 0.082 0.000 1.300 375 N CB -1.244 37.275 38.487 0.053 0.000 0.824 375 N HN 1.231 nan 8.380 nan 0.000 0.284 376 S N -0.619 115.126 115.700 0.076 0.000 2.593 376 S HA 0.468 4.937 4.470 -0.001 0.000 0.217 376 S C 0.790 175.514 174.600 0.206 0.000 0.966 376 S CA 1.153 59.421 58.200 0.113 0.000 0.914 376 S CB 0.056 63.232 63.200 -0.041 0.000 0.776 376 S HN 1.445 nan 8.310 nan 0.000 0.523 377 G N 0.627 109.507 108.800 0.133 0.000 2.322 377 G HA2 0.199 4.158 3.960 -0.001 0.000 0.289 377 G HA3 0.199 4.158 3.960 -0.001 0.000 0.289 377 G C -0.734 174.217 174.900 0.085 0.000 1.687 377 G CA -0.844 44.331 45.100 0.126 0.000 0.944 377 G HN 0.035 nan 8.290 nan 0.000 0.718 378 N N -0.039 118.694 118.700 0.055 0.000 2.236 378 N HA 0.218 4.958 4.740 -0.001 0.000 0.196 378 N C 1.352 176.893 175.510 0.052 0.000 1.114 378 N CA 0.974 54.052 53.050 0.046 0.000 0.859 378 N CB 1.461 39.965 38.487 0.027 0.000 0.982 378 N HN 0.812 nan 8.380 nan 0.000 0.493 379 G N 0.168 109.008 108.800 0.066 0.000 2.581 379 G HA2 0.357 4.316 3.960 -0.001 0.000 0.194 379 G HA3 0.357 4.316 3.960 -0.001 0.000 0.194 379 G C -0.181 174.805 174.900 0.143 0.000 1.814 379 G CA -0.322 44.826 45.100 0.080 0.000 0.745 379 G HN 0.066 nan 8.290 nan 0.000 0.802 380 I N 2.425 123.072 120.570 0.128 0.000 2.471 380 I HA 0.238 4.407 4.170 -0.001 0.000 0.286 380 I C 0.858 177.158 176.117 0.305 0.000 1.079 380 I CA 0.431 61.829 61.300 0.164 0.000 1.398 380 I CB 1.622 39.565 38.000 -0.095 0.000 1.403 380 I HN 0.449 nan 8.210 nan 0.000 0.530 381 T N 2.065 116.857 114.554 0.396 0.000 3.288 381 T HA 0.262 4.611 4.350 -0.001 0.000 0.293 381 T C -0.385 174.504 174.700 0.315 0.000 1.008 381 T CA -0.436 61.846 62.100 0.303 0.000 0.929 381 T CB -0.349 68.589 68.868 0.116 0.000 1.152 381 T HN 0.480 nan 8.240 nan 0.000 0.517 382 Y N -1.615 118.861 120.300 0.295 0.000 2.638 382 Y HA 0.907 5.456 4.550 -0.001 0.000 0.339 382 Y C -0.898 175.167 175.900 0.275 0.000 1.084 382 Y CA -1.754 56.498 58.100 0.255 0.000 1.068 382 Y CB 1.346 39.901 38.460 0.157 0.000 1.294 382 Y HN 0.000 nan 8.280 nan 0.000 0.480 383 E N 2.271 122.595 120.200 0.208 0.000 2.321 383 E HA 0.354 4.703 4.350 -0.001 0.000 0.281 383 E C -2.936 173.744 176.600 0.134 0.000 0.910 383 E CA -1.813 54.647 56.400 0.100 0.000 0.770 383 E CB 2.284 32.007 29.700 0.039 0.000 1.225 383 E HN 0.812 nan 8.360 nan 0.000 0.417 384 P HA 0.273 nan 4.420 nan 0.000 0.271 384 P C -0.884 176.505 177.300 0.148 0.000 1.216 384 P CA -0.189 62.977 63.100 0.110 0.000 0.776 384 P CB 0.768 32.521 31.700 0.089 0.000 0.881 385 N N -1.050 117.670 118.700 0.033 0.000 2.697 385 N HA 0.346 5.085 4.740 -0.001 0.000 0.272 385 N C -0.371 175.147 175.510 0.012 0.000 1.381 385 N CA -0.963 52.079 53.050 -0.012 0.000 0.797 385 N CB 0.828 39.094 38.487 -0.367 0.000 1.523 385 N HN 0.056 nan 8.380 nan 0.000 0.518 386 S N -1.614 114.102 115.700 0.027 0.000 2.575 386 S HA 0.297 4.767 4.470 -0.001 0.000 0.237 386 S C 0.930 175.524 174.600 -0.010 0.000 0.975 386 S CA -0.253 57.959 58.200 0.020 0.000 0.960 386 S CB -0.052 63.175 63.200 0.044 0.000 0.822 386 S HN 0.770 nan 8.310 nan 0.000 0.472 387 G N 0.479 109.251 108.800 -0.048 0.000 3.159 387 G HA2 0.433 4.393 3.960 -0.001 0.000 0.232 387 G HA3 0.433 4.393 3.960 -0.001 0.000 0.232 387 G C 0.976 175.820 174.900 -0.093 0.000 1.116 387 G CA 0.060 45.119 45.100 -0.069 0.000 0.767 387 G HN 0.639 nan 8.290 nan 0.000 0.547 388 G N -0.493 108.258 108.800 -0.080 0.000 2.179 388 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.257 388 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.257 388 G C 0.346 175.169 174.900 -0.128 0.000 1.010 388 G CA 0.643 45.695 45.100 -0.081 0.000 0.736 388 G HN 1.466 nan 8.290 nan 0.000 0.513 389 V N -4.151 115.652 119.914 -0.184 0.000 2.881 389 V HA 0.861 4.980 4.120 -0.001 0.000 0.316 389 V C 1.135 177.111 176.094 -0.197 0.000 1.070 389 V CA -0.753 61.340 62.300 -0.345 0.000 0.976 389 V CB 1.182 32.634 31.823 -0.619 0.000 1.038 389 V HN 1.088 nan 8.190 nan 0.000 0.446 390 F N -0.216 119.774 119.950 0.066 0.000 3.091 390 F HA -0.157 4.370 4.527 -0.001 0.000 0.288 390 F C 0.715 176.529 175.800 0.022 0.000 0.907 390 F CA 0.675 58.742 58.000 0.112 0.000 1.028 390 F CB -2.025 37.030 39.000 0.092 0.000 1.022 390 F HN 0.700 nan 8.300 nan 0.000 0.665 391 Q N 1.614 121.494 119.800 0.133 0.000 2.296 391 Q HA 0.196 4.536 4.340 -0.001 0.000 0.262 391 Q C 0.886 176.935 176.000 0.081 0.000 0.981 391 Q CA -0.061 55.789 55.803 0.079 0.000 0.905 391 Q CB 0.855 29.616 28.738 0.040 0.000 1.186 391 Q HN 0.683 nan 8.270 nan 0.000 0.399 392 E N 1.863 122.098 120.200 0.057 0.000 2.408 392 E HA 0.027 4.377 4.350 -0.001 0.000 0.259 392 E C -0.740 175.906 176.600 0.076 0.000 1.110 392 E CA -0.150 56.280 56.400 0.051 0.000 0.929 392 E CB 0.553 30.271 29.700 0.030 0.000 0.971 392 E HN 0.386 nan 8.360 nan 0.000 0.438 393 Q N 1.797 121.662 119.800 0.108 0.000 2.506 393 Q HA 0.188 4.528 4.340 -0.001 0.000 0.242 393 Q C -2.038 174.066 176.000 0.174 0.000 1.060 393 Q CA -1.804 54.106 55.803 0.180 0.000 0.826 393 Q CB 1.440 30.371 28.738 0.322 0.000 1.169 393 Q HN 0.501 nan 8.270 nan 0.000 0.521 394 P HA -0.131 nan 4.420 nan 0.000 0.222 394 P C 0.224 177.521 177.300 -0.005 0.000 1.147 394 P CA 0.908 64.033 63.100 0.042 0.000 0.790 394 P CB 0.398 32.106 31.700 0.014 0.000 0.780 395 D N -1.423 118.932 120.400 -0.075 0.000 2.264 395 D HA -0.080 4.560 4.640 -0.001 0.000 0.208 395 D C 0.747 176.803 176.300 -0.406 0.000 0.966 395 D CA 0.933 54.765 54.000 -0.280 0.000 0.864 395 D CB -0.522 40.010 40.800 -0.448 0.000 0.933 395 D HN 0.265 nan 8.370 nan 0.000 0.499 396 F N 0.708 120.651 119.950 -0.012 0.000 2.660 396 F HA 0.203 4.729 4.527 -0.001 0.000 0.297 396 F C 0.899 176.689 175.800 -0.017 0.000 1.132 396 F CA -0.395 57.595 58.000 -0.017 0.000 1.372 396 F CB -0.129 38.861 39.000 -0.016 0.000 1.003 396 F HN -0.425 nan 8.300 nan 0.000 0.524 397 K N 1.671 122.121 120.400 0.084 0.000 2.489 397 K HA 0.054 4.374 4.320 -0.001 0.000 0.278 397 K C 0.181 176.804 176.600 0.037 0.000 1.000 397 K CA 0.424 56.742 56.287 0.052 0.000 1.012 397 K CB 0.466 32.976 32.500 0.017 0.000 0.903 397 K HN 0.294 nan 8.250 nan 0.000 0.485 398 E N 3.706 123.926 120.200 0.033 0.000 2.202 398 E HA 0.253 4.602 4.350 -0.001 0.000 0.272 398 E C -2.137 174.463 176.600 0.000 0.000 0.951 398 E CA -2.058 54.351 56.400 0.014 0.000 0.813 398 E CB 1.137 30.845 29.700 0.013 0.000 1.151 398 E HN 0.445 nan 8.360 nan 0.000 0.398 399 P HA 0.137 nan 4.420 nan 0.000 0.269 399 P C -2.515 174.774 177.300 -0.018 0.000 1.215 399 P CA -0.938 62.146 63.100 -0.026 0.000 0.780 399 P CB -0.224 31.445 31.700 -0.052 0.000 0.898 400 P HA 0.288 nan 4.420 nan 0.000 0.272 400 P C -0.892 176.409 177.300 0.001 0.000 1.240 400 P CA -0.269 62.831 63.100 0.001 0.000 0.791 400 P CB 0.287 31.988 31.700 0.002 0.000 0.978 401 L N 0.915 122.150 121.223 0.020 0.000 2.372 401 L HA 0.380 4.719 4.340 -0.001 0.000 0.274 401 L C -0.149 176.741 176.870 0.034 0.000 0.988 401 L CA -0.355 54.508 54.840 0.038 0.000 0.833 401 L CB 1.098 43.202 42.059 0.076 0.000 1.236 401 L HN 0.470 nan 8.230 nan 0.000 0.410 402 S N 4.873 120.592 115.700 0.031 0.000 2.568 402 S HA 0.501 4.970 4.470 -0.001 0.000 0.282 402 S C 0.044 174.652 174.600 0.014 0.000 1.338 402 S CA -0.336 57.876 58.200 0.020 0.000 1.045 402 S CB 0.337 63.548 63.200 0.017 0.000 0.873 402 S HN 0.522 nan 8.310 nan 0.000 0.516 403 I N 1.632 122.203 120.570 0.001 0.000 2.378 403 I HA 0.375 4.545 4.170 -0.001 0.000 0.291 403 I C -0.587 175.516 176.117 -0.024 0.000 0.992 403 I CA -0.585 60.706 61.300 -0.016 0.000 1.154 403 I CB 1.782 39.777 38.000 -0.008 0.000 1.315 403 I HN 0.614 nan 8.210 nan 0.000 0.448 404 E N 4.554 124.721 120.200 -0.055 0.000 2.145 404 E HA 0.703 5.052 4.350 -0.001 0.000 0.262 404 E C -0.058 176.471 176.600 -0.119 0.000 0.883 404 E CA -0.196 56.163 56.400 -0.069 0.000 0.748 404 E CB 1.757 31.411 29.700 -0.076 0.000 1.140 404 E HN 0.821 nan 8.360 nan 0.000 0.417 405 G N 1.496 110.260 108.800 -0.061 0.000 2.555 405 G HA2 0.274 4.233 3.960 -0.001 0.000 0.686 405 G HA3 0.274 4.233 3.960 -0.001 0.000 0.686 405 G C -0.522 174.439 174.900 0.101 0.000 1.275 405 G CA -0.607 44.476 45.100 -0.029 0.000 0.871 405 G HN 0.663 nan 8.290 nan 0.000 0.603 406 A N -0.144 122.853 122.820 0.294 0.000 2.257 406 A HA 0.992 5.312 4.320 -0.001 0.000 0.289 406 A C 0.991 178.797 177.584 0.371 0.000 1.095 406 A CA 0.817 53.023 52.037 0.283 0.000 0.836 406 A CB 0.697 19.842 19.000 0.242 0.000 1.111 406 A HN 2.599 nan 8.150 nan 0.000 0.497 407 A N 0.693 123.632 122.820 0.199 0.000 2.354 407 A HA 0.565 4.885 4.320 -0.001 0.000 0.281 407 A C -0.219 177.400 177.584 0.057 0.000 1.174 407 A CA 0.097 52.221 52.037 0.145 0.000 0.828 407 A CB -0.138 18.891 19.000 0.048 0.000 1.099 407 A HN 0.884 nan 8.150 nan 0.000 0.516 408 D N -0.447 119.962 120.400 0.015 0.000 2.764 408 D HA 0.140 4.780 4.640 -0.001 0.000 0.293 408 D C -1.307 174.797 176.300 -0.326 0.000 1.287 408 D CA -0.491 53.326 54.000 -0.305 0.000 0.768 408 D CB 0.655 41.025 40.800 -0.717 0.000 1.288 408 D HN 0.539 nan 8.370 nan 0.000 0.426 409 H N 1.158 120.057 119.070 -0.285 0.000 2.911 409 H HA 0.190 4.745 4.556 -0.001 0.000 0.273 409 H C -0.566 174.631 175.328 -0.220 0.000 1.157 409 H CA 0.037 56.005 56.048 -0.133 0.000 1.402 409 H CB 0.009 29.710 29.762 -0.101 0.000 1.463 409 H HN 0.109 nan 8.280 nan 0.000 0.475 410 W N 2.641 124.009 121.300 0.113 0.000 2.331 410 W HA 0.092 4.751 4.660 -0.001 0.000 0.306 410 W C 0.846 177.419 176.519 0.090 0.000 1.162 410 W CA -0.655 56.739 57.345 0.083 0.000 1.232 410 W CB 0.414 29.909 29.460 0.059 0.000 1.235 410 W HN 0.469 nan 8.180 nan 0.000 0.479 411 N N 2.927 121.775 118.700 0.247 0.000 2.427 411 N HA -0.101 4.638 4.740 -0.001 0.000 0.269 411 N C 1.159 176.754 175.510 0.141 0.000 1.235 411 N CA 0.298 53.418 53.050 0.116 0.000 0.934 411 N CB 0.311 38.823 38.487 0.042 0.000 1.121 411 N HN 0.539 nan 8.380 nan 0.000 0.480 412 H N 2.511 121.679 119.070 0.164 0.000 2.546 412 H HA 0.110 4.666 4.556 -0.001 0.000 0.277 412 H C 0.845 176.248 175.328 0.126 0.000 1.004 412 H CA 1.040 57.173 56.048 0.143 0.000 1.231 412 H CB 0.088 29.936 29.762 0.143 0.000 1.382 412 H HN 0.441 nan 8.280 nan 0.000 0.580 413 R N 0.869 121.278 120.500 -0.151 0.000 2.346 413 R HA -0.018 4.322 4.340 -0.001 0.000 0.199 413 R C 0.770 177.085 176.300 0.026 0.000 1.015 413 R CA 0.370 56.468 56.100 -0.004 0.000 1.058 413 R CB 0.102 30.377 30.300 -0.040 0.000 0.921 413 R HN 0.479 nan 8.270 nan 0.000 0.475 414 E N 0.787 121.013 120.200 0.042 0.000 2.274 414 E HA -0.092 4.257 4.350 -0.001 0.000 0.194 414 E C 0.044 176.641 176.600 -0.004 0.000 0.996 414 E CA 0.685 57.108 56.400 0.039 0.000 0.840 414 E CB 0.046 29.793 29.700 0.078 0.000 0.772 414 E HN 0.173 nan 8.360 nan 0.000 0.491 415 D N 1.093 121.480 120.400 -0.020 0.000 2.443 415 D HA 0.059 4.698 4.640 -0.001 0.000 0.221 415 D C -0.079 176.012 176.300 -0.348 0.000 1.097 415 D CA -0.056 53.884 54.000 -0.101 0.000 0.865 415 D CB 0.492 41.276 40.800 -0.026 0.000 1.034 415 D HN -0.111 nan 8.370 nan 0.000 0.511 416 E N 2.069 122.022 120.200 -0.411 0.000 2.419 416 E HA -0.006 4.343 4.350 -0.001 0.000 0.190 416 E C -0.366 175.755 176.600 -0.798 0.000 1.040 416 E CA -0.164 55.772 56.400 -0.772 0.000 0.900 416 E CB 0.477 30.026 29.700 -0.251 0.000 1.054 416 E HN 0.294 nan 8.360 nan 0.000 0.462 417 D N 0.031 120.095 120.400 -0.559 0.000 2.558 417 D HA -0.014 4.626 4.640 -0.001 0.000 0.221 417 D C -0.174 175.906 176.300 -0.366 0.000 1.143 417 D CA -0.033 53.780 54.000 -0.313 0.000 1.010 417 D CB -0.108 40.615 40.800 -0.128 0.000 1.068 417 D HN 0.116 nan 8.370 nan 0.000 0.511 418 Y N 0.883 120.900 120.300 -0.472 0.000 2.481 418 Y HA 0.168 4.718 4.550 -0.001 0.000 0.258 418 Y C 1.199 176.709 175.900 -0.650 0.000 1.103 418 Y CA -0.140 57.565 58.100 -0.659 0.000 1.287 418 Y CB -0.090 37.725 38.460 -1.075 0.000 1.108 418 Y HN 0.216 nan 8.280 nan 0.000 0.529 419 F N -1.081 118.967 119.950 0.164 0.000 2.622 419 F HA 0.054 4.580 4.527 -0.001 0.000 0.288 419 F C 2.448 178.279 175.800 0.053 0.000 1.120 419 F CA 0.498 58.558 58.000 0.101 0.000 1.423 419 F CB -0.907 38.149 39.000 0.094 0.000 1.127 419 F HN -0.036 nan 8.300 nan 0.000 0.588 420 S N 0.363 116.159 115.700 0.159 0.000 2.368 420 S HA -0.240 4.230 4.470 -0.001 0.000 0.225 420 S C 1.803 176.411 174.600 0.014 0.000 1.030 420 S CA 1.361 59.615 58.200 0.090 0.000 0.999 420 S CB -0.733 62.501 63.200 0.056 0.000 0.844 420 S HN 0.509 nan 8.310 nan 0.000 0.459 421 Q N 1.286 121.030 119.800 -0.093 0.000 2.083 421 Q HA 0.047 4.387 4.340 -0.001 0.000 0.198 421 Q C -0.513 175.275 176.000 -0.352 0.000 0.969 421 Q CA 1.230 56.871 55.803 -0.269 0.000 0.838 421 Q CB -0.970 27.528 28.738 -0.400 0.000 0.900 421 Q HN 0.583 nan 8.270 nan 0.000 0.436 422 P HA -0.137 nan 4.420 nan 0.000 0.226 422 P C 0.888 178.288 177.300 0.166 0.000 1.153 422 P CA 1.041 64.136 63.100 -0.009 0.000 0.777 422 P CB -0.041 31.760 31.700 0.169 0.000 0.794 423 R N 0.570 121.169 120.500 0.164 0.000 2.073 423 R HA -0.020 4.320 4.340 -0.001 0.000 0.229 423 R C 2.238 178.662 176.300 0.207 0.000 1.120 423 R CA 1.407 57.649 56.100 0.237 0.000 0.967 423 R CB -0.719 29.710 30.300 0.215 0.000 0.862 423 R HN 0.012 nan 8.270 nan 0.000 0.436 424 A N 1.203 124.090 122.820 0.111 0.000 1.933 424 A HA -0.165 4.154 4.320 -0.001 0.000 0.218 424 A C 2.019 179.652 177.584 0.083 0.000 1.175 424 A CA 1.259 53.343 52.037 0.080 0.000 0.628 424 A CB -0.530 18.488 19.000 0.029 0.000 0.814 424 A HN 0.401 nan 8.150 nan 0.000 0.444 425 L N -1.850 119.429 121.223 0.094 0.000 2.044 425 L HA -0.077 4.263 4.340 -0.001 0.000 0.205 425 L C 2.296 179.233 176.870 0.111 0.000 1.075 425 L CA 2.269 57.173 54.840 0.107 0.000 0.747 425 L CB -0.890 41.263 42.059 0.156 0.000 0.903 425 L HN 0.490 nan 8.230 nan 0.000 0.435 426 Y N 0.862 121.167 120.300 0.008 0.000 2.165 426 Y HA -0.274 4.275 4.550 -0.001 0.000 0.286 426 Y C 2.354 178.274 175.900 0.034 0.000 1.155 426 Y CA 2.305 60.357 58.100 -0.079 0.000 1.164 426 Y CB -0.205 38.122 38.460 -0.222 0.000 0.978 426 Y HN 0.395 nan 8.280 nan 0.000 0.513 427 E N -0.143 120.095 120.200 0.064 0.000 2.268 427 E HA -0.155 4.194 4.350 -0.001 0.000 0.195 427 E C 2.022 178.595 176.600 -0.046 0.000 0.995 427 E CA 0.990 57.395 56.400 0.007 0.000 0.836 427 E CB -0.163 29.605 29.700 0.113 0.000 0.763 427 E HN 0.523 nan 8.360 nan 0.000 0.491 428 L N 0.623 121.824 121.223 -0.037 0.000 2.341 428 L HA 0.038 4.377 4.340 -0.001 0.000 0.214 428 L C 0.789 177.586 176.870 -0.122 0.000 1.115 428 L CA 0.091 54.896 54.840 -0.058 0.000 0.820 428 L CB 0.068 42.113 42.059 -0.024 0.000 0.944 428 L HN 0.048 nan 8.230 nan 0.000 0.452 429 L N -0.260 120.860 121.223 -0.172 0.000 2.395 429 L HA 0.195 4.535 4.340 -0.001 0.000 0.269 429 L C 0.928 177.439 176.870 -0.600 0.000 1.133 429 L CA -0.451 54.210 54.840 -0.298 0.000 0.812 429 L CB 1.132 43.049 42.059 -0.236 0.000 1.125 429 L HN 0.107 nan 8.230 nan 0.000 0.452 430 S N -0.030 115.359 115.700 -0.519 0.000 2.596 430 S HA 0.037 4.507 4.470 -0.001 0.000 0.260 430 S C 0.514 174.634 174.600 -0.799 0.000 1.336 430 S CA -0.561 57.325 58.200 -0.524 0.000 0.993 430 S CB 0.939 63.956 63.200 -0.305 0.000 0.923 430 S HN 0.616 nan 8.310 nan 0.000 0.567 431 D N 0.640 120.736 120.400 -0.506 0.000 2.144 431 D HA -0.042 4.598 4.640 -0.001 0.000 0.199 431 D C 1.284 177.421 176.300 -0.271 0.000 0.984 431 D CA 1.292 55.080 54.000 -0.352 0.000 0.834 431 D CB -0.329 40.380 40.800 -0.150 0.000 0.955 431 D HN 0.592 nan 8.370 nan 0.000 0.465 432 D N 0.061 120.317 120.400 -0.240 0.000 2.144 432 D HA -0.119 4.520 4.640 -0.001 0.000 0.200 432 D C 1.868 178.041 176.300 -0.212 0.000 0.978 432 D CA 0.658 54.552 54.000 -0.176 0.000 0.833 432 D CB -0.152 40.568 40.800 -0.135 0.000 0.961 432 D HN 0.352 nan 8.370 nan 0.000 0.470 433 E N -0.321 119.710 120.200 -0.282 0.000 2.106 433 E HA -0.156 4.194 4.350 -0.001 0.000 0.192 433 E C 1.764 178.186 176.600 -0.298 0.000 0.984 433 E CA 0.758 57.004 56.400 -0.257 0.000 0.806 433 E CB 0.040 29.589 29.700 -0.252 0.000 0.750 433 E HN 0.493 nan 8.360 nan 0.000 0.458 434 H N -0.561 118.207 119.070 -0.503 0.000 2.353 434 H HA -0.093 4.462 4.556 -0.001 0.000 0.300 434 H C 2.190 176.766 175.328 -1.253 0.000 1.090 434 H CA 0.950 56.470 56.048 -0.881 0.000 1.327 434 H CB 0.274 29.573 29.762 -0.770 0.000 1.383 434 H HN 0.147 nan 8.280 nan 0.000 0.508 435 Q N 0.687 120.179 119.800 -0.512 0.000 2.124 435 Q HA -0.095 4.244 4.340 -0.001 0.000 0.202 435 Q C 2.276 178.171 176.000 -0.175 0.000 0.977 435 Q CA 1.033 56.686 55.803 -0.249 0.000 0.850 435 Q CB -0.140 28.569 28.738 -0.050 0.000 0.901 435 Q HN 0.523 nan 8.270 nan 0.000 0.429 436 R N -0.241 120.149 120.500 -0.183 0.000 2.092 436 R HA 0.016 4.355 4.340 -0.001 0.000 0.231 436 R C 2.407 178.656 176.300 -0.086 0.000 1.119 436 R CA 1.119 57.160 56.100 -0.098 0.000 0.970 436 R CB -0.205 30.042 30.300 -0.088 0.000 0.864 436 R HN 0.263 nan 8.270 nan 0.000 0.440 437 M N -0.259 119.232 119.600 -0.183 0.000 2.117 437 M HA -0.138 4.342 4.480 -0.001 0.000 0.262 437 M C 1.728 178.048 176.300 0.032 0.000 1.065 437 M CA 1.608 56.846 55.300 -0.103 0.000 1.114 437 M CB -0.251 32.236 32.600 -0.187 0.000 1.361 437 M HN 0.023 nan 8.290 nan 0.000 0.408 438 F N 0.539 120.497 119.950 0.013 0.000 2.134 438 F HA -0.094 4.432 4.527 -0.001 0.000 0.299 438 F C 2.714 178.498 175.800 -0.026 0.000 1.097 438 F CA 1.087 59.076 58.000 -0.018 0.000 1.264 438 F CB -1.650 37.347 39.000 -0.003 0.000 1.001 438 F HN 0.111 nan 8.300 nan 0.000 0.479 439 A N 0.076 122.998 122.820 0.169 0.000 1.930 439 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 439 A C 2.355 179.979 177.584 0.067 0.000 1.175 439 A CA 1.255 53.347 52.037 0.093 0.000 0.627 439 A CB -0.589 18.449 19.000 0.063 0.000 0.815 439 A HN 0.291 nan 8.150 nan 0.000 0.443 440 R N -0.477 120.065 120.500 0.071 0.000 2.075 440 R HA 0.042 4.382 4.340 -0.001 0.000 0.232 440 R C 1.924 178.280 176.300 0.093 0.000 1.126 440 R CA 1.518 57.669 56.100 0.084 0.000 0.963 440 R CB -0.413 29.943 30.300 0.093 0.000 0.858 440 R HN 0.560 nan 8.270 nan 0.000 0.435 441 I N 0.472 121.086 120.570 0.073 0.000 2.252 441 I HA -0.221 3.948 4.170 -0.001 0.000 0.245 441 I C 2.553 178.595 176.117 -0.126 0.000 1.102 441 I CA 1.122 62.409 61.300 -0.023 0.000 1.385 441 I CB -0.406 37.542 38.000 -0.087 0.000 1.064 441 I HN 0.188 nan 8.210 nan 0.000 0.414 442 A N 1.093 123.879 122.820 -0.056 0.000 1.940 442 A HA -0.150 4.170 4.320 -0.001 0.000 0.219 442 A C 2.445 180.001 177.584 -0.046 0.000 1.176 442 A CA 1.925 53.924 52.037 -0.064 0.000 0.631 442 A CB -1.468 17.523 19.000 -0.015 0.000 0.814 442 A HN 0.467 nan 8.150 nan 0.000 0.446 443 G N -0.769 108.031 108.800 -0.001 0.000 2.450 443 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.220 443 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.220 443 G C 1.461 176.379 174.900 0.031 0.000 1.130 443 G CA 1.090 46.203 45.100 0.022 0.000 0.760 443 G HN 0.682 nan 8.290 nan 0.000 0.557 444 E N -0.750 119.469 120.200 0.030 0.000 2.079 444 E HA 0.103 4.452 4.350 -0.001 0.000 0.191 444 E C 2.270 178.821 176.600 -0.082 0.000 0.961 444 E CA -0.084 56.371 56.400 0.091 0.000 0.823 444 E CB -0.171 29.746 29.700 0.360 0.000 0.789 444 E HN 0.252 nan 8.360 nan 0.000 0.459 445 L N 1.831 122.813 121.223 -0.401 0.000 2.191 445 L HA -0.135 4.205 4.340 -0.001 0.000 0.212 445 L C 2.268 179.028 176.870 -0.183 0.000 1.103 445 L CA 1.736 56.281 54.840 -0.492 0.000 0.769 445 L CB -0.458 41.203 42.059 -0.662 0.000 0.908 445 L HN 0.066 nan 8.230 nan 0.000 0.438 446 S N -1.902 113.730 115.700 -0.113 0.000 2.447 446 S HA -0.199 4.270 4.470 -0.001 0.000 0.233 446 S C 1.720 176.305 174.600 -0.024 0.000 1.006 446 S CA 0.858 59.024 58.200 -0.057 0.000 0.957 446 S CB -0.521 62.655 63.200 -0.040 0.000 0.773 446 S HN 0.668 nan 8.310 nan 0.000 0.507 447 Q N 0.974 120.770 119.800 -0.008 0.000 2.435 447 Q HA 0.355 4.695 4.340 -0.001 0.000 0.207 447 Q C 0.981 176.997 176.000 0.028 0.000 0.956 447 Q CA 0.519 56.330 55.803 0.014 0.000 0.917 447 Q CB -0.163 28.594 28.738 0.033 0.000 0.997 447 Q HN 0.740 nan 8.270 nan 0.000 0.497 448 A N 1.308 124.152 122.820 0.040 0.000 2.272 448 A HA 0.371 4.690 4.320 -0.001 0.000 0.275 448 A C 0.412 178.023 177.584 0.045 0.000 1.096 448 A CA -0.463 51.618 52.037 0.073 0.000 0.822 448 A CB 0.435 19.505 19.000 0.117 0.000 1.088 448 A HN 0.284 nan 8.150 nan 0.000 0.495 449 S N 0.425 116.162 115.700 0.062 0.000 2.589 449 S HA 0.140 4.609 4.470 -0.001 0.000 0.265 449 S C 0.769 175.385 174.600 0.026 0.000 1.342 449 S CA -0.240 57.987 58.200 0.044 0.000 1.005 449 S CB 0.567 63.803 63.200 0.060 0.000 0.909 449 S HN 0.578 nan 8.310 nan 0.000 0.555 450 K N 1.089 121.498 120.400 0.015 0.000 2.147 450 K HA -0.135 4.184 4.320 -0.001 0.000 0.205 450 K C 2.051 178.650 176.600 -0.000 0.000 1.049 450 K CA 1.698 57.986 56.287 0.002 0.000 0.936 450 K CB -0.558 31.942 32.500 0.000 0.000 0.722 450 K HN 0.901 nan 8.250 nan 0.000 0.446 451 E N 0.424 120.629 120.200 0.009 0.000 2.051 451 E HA -0.135 4.215 4.350 -0.001 0.000 0.192 451 E C 1.515 178.110 176.600 -0.009 0.000 0.991 451 E CA 1.441 57.843 56.400 0.003 0.000 0.799 451 E CB 0.154 29.865 29.700 0.019 0.000 0.748 451 E HN 0.158 nan 8.360 nan 0.000 0.449 452 T N 0.851 115.412 114.554 0.012 0.000 2.777 452 T HA -0.136 4.213 4.350 -0.001 0.000 0.266 452 T C 1.844 176.545 174.700 0.002 0.000 1.040 452 T CA 1.238 63.348 62.100 0.016 0.000 1.141 452 T CB -0.153 68.767 68.868 0.088 0.000 0.868 452 T HN 0.246 nan 8.240 nan 0.000 0.444 453 Q N 0.459 120.256 119.800 -0.005 0.000 2.061 453 Q HA -0.214 4.125 4.340 -0.001 0.000 0.204 453 Q C 2.513 178.489 176.000 -0.040 0.000 0.984 453 Q CA 1.590 57.374 55.803 -0.032 0.000 0.846 453 Q CB -0.188 28.529 28.738 -0.035 0.000 0.902 453 Q HN 0.351 nan 8.270 nan 0.000 0.421 454 Q N 0.786 120.563 119.800 -0.037 0.000 2.079 454 Q HA -0.136 4.203 4.340 -0.001 0.000 0.200 454 Q C 1.866 177.830 176.000 -0.061 0.000 0.974 454 Q CA 1.525 57.302 55.803 -0.044 0.000 0.840 454 Q CB -0.088 28.629 28.738 -0.036 0.000 0.898 454 Q HN 0.172 nan 8.270 nan 0.000 0.430 455 R N -0.625 119.832 120.500 -0.071 0.000 2.081 455 R HA -0.194 4.146 4.340 -0.001 0.000 0.235 455 R C 2.134 178.358 176.300 -0.127 0.000 1.131 455 R CA 1.757 57.795 56.100 -0.102 0.000 0.960 455 R CB -0.063 30.153 30.300 -0.140 0.000 0.856 455 R HN 0.253 nan 8.270 nan 0.000 0.436 456 Q N 0.295 120.024 119.800 -0.120 0.000 2.123 456 Q HA -0.050 4.289 4.340 -0.001 0.000 0.199 456 Q C 1.843 177.705 176.000 -0.230 0.000 0.966 456 Q CA 1.195 56.877 55.803 -0.203 0.000 0.845 456 Q CB 0.024 28.702 28.738 -0.101 0.000 0.907 456 Q HN 0.284 nan 8.270 nan 0.000 0.439 457 I N 1.111 121.638 120.570 -0.071 0.000 2.226 457 I HA -0.237 3.932 4.170 -0.001 0.000 0.245 457 I C 1.351 177.441 176.117 -0.045 0.000 1.100 457 I CA 1.399 62.705 61.300 0.009 0.000 1.374 457 I CB -1.211 36.776 38.000 -0.022 0.000 1.057 457 I HN 0.245 nan 8.210 nan 0.000 0.413 458 D N 0.624 120.970 120.400 -0.090 0.000 2.178 458 D HA -0.112 4.528 4.640 -0.001 0.000 0.201 458 D C 2.439 178.650 176.300 -0.149 0.000 0.980 458 D CA 0.839 54.775 54.000 -0.107 0.000 0.842 458 D CB -0.094 40.649 40.800 -0.095 0.000 0.948 458 D HN 0.302 nan 8.370 nan 0.000 0.472 459 L N -0.607 120.506 121.223 -0.183 0.000 2.109 459 L HA -0.081 4.258 4.340 -0.001 0.000 0.207 459 L C 2.119 178.881 176.870 -0.180 0.000 1.086 459 L CA 0.565 55.299 54.840 -0.177 0.000 0.760 459 L CB -0.274 41.650 42.059 -0.224 0.000 0.910 459 L HN -0.049 nan 8.230 nan 0.000 0.437 460 F N 0.255 120.076 119.950 -0.215 0.000 2.234 460 F HA -0.147 4.379 4.527 -0.001 0.000 0.299 460 F C 2.648 178.283 175.800 -0.276 0.000 1.087 460 F CA 1.169 58.920 58.000 -0.416 0.000 1.340 460 F CB -1.202 37.429 39.000 -0.615 0.000 1.031 460 F HN -0.000 nan 8.300 nan 0.000 0.500 461 T N -0.469 114.066 114.554 -0.031 0.000 2.821 461 T HA -0.150 4.200 4.350 -0.001 0.000 0.267 461 T C 1.941 176.558 174.700 -0.137 0.000 1.046 461 T CA 1.084 63.142 62.100 -0.069 0.000 1.139 461 T CB -0.154 68.662 68.868 -0.086 0.000 0.871 461 T HN 0.197 nan 8.240 nan 0.000 0.454 462 K N 0.603 120.844 120.400 -0.265 0.000 2.365 462 K HA 0.038 4.358 4.320 -0.001 0.000 0.199 462 K C 2.066 178.470 176.600 -0.327 0.000 1.045 462 K CA 0.501 56.480 56.287 -0.514 0.000 0.962 462 K CB -0.031 31.771 32.500 -1.162 0.000 0.759 462 K HN 0.203 nan 8.250 nan 0.000 0.469 463 V N -0.305 119.587 119.914 -0.037 0.000 2.379 463 V HA -0.062 4.058 4.120 -0.001 0.000 0.243 463 V C 0.681 176.874 176.094 0.165 0.000 1.035 463 V CA 0.978 63.395 62.300 0.195 0.000 1.035 463 V CB -0.168 31.854 31.823 0.333 0.000 0.673 463 V HN 0.357 nan 8.190 nan 0.000 0.457 464 H N -1.802 117.262 119.070 -0.009 0.000 3.151 464 H HA 0.204 4.759 4.556 -0.001 0.000 0.333 464 H C -2.590 172.708 175.328 -0.051 0.000 1.093 464 H CA -0.916 55.105 56.048 -0.046 0.000 1.342 464 H CB 2.443 32.110 29.762 -0.159 0.000 1.983 464 H HN -0.112 nan 8.280 nan 0.000 0.503 465 P HA -0.095 nan 4.420 nan 0.000 0.218 465 P C 0.821 178.191 177.300 0.117 0.000 1.148 465 P CA 1.306 64.427 63.100 0.036 0.000 0.822 465 P CB 0.420 32.102 31.700 -0.029 0.000 0.784 466 E N -2.549 117.847 120.200 0.326 0.000 2.358 466 E HA -0.160 4.189 4.350 -0.001 0.000 0.195 466 E C 1.564 178.199 176.600 0.058 0.000 1.010 466 E CA 0.414 56.931 56.400 0.196 0.000 0.856 466 E CB -0.351 29.522 29.700 0.290 0.000 0.795 466 E HN 0.290 nan 8.360 nan 0.000 0.504 467 Y N 1.082 121.265 120.300 -0.196 0.000 2.176 467 Y HA -0.004 4.546 4.550 -0.001 0.000 0.291 467 Y C 2.343 178.027 175.900 -0.360 0.000 1.122 467 Y CA 1.499 59.380 58.100 -0.364 0.000 1.128 467 Y CB -0.799 37.280 38.460 -0.635 0.000 1.005 467 Y HN -0.035 nan 8.280 nan 0.000 0.509 468 G N -0.340 108.432 108.800 -0.048 0.000 2.418 468 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.217 468 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.217 468 G C 1.853 176.659 174.900 -0.156 0.000 1.158 468 G CA 1.151 46.204 45.100 -0.079 0.000 0.771 468 G HN 0.536 nan 8.290 nan 0.000 0.545 469 A N 0.736 123.458 122.820 -0.163 0.000 1.930 469 A HA 0.224 4.543 4.320 -0.001 0.000 0.217 469 A C 2.663 180.051 177.584 -0.326 0.000 1.175 469 A CA 1.921 53.851 52.037 -0.179 0.000 0.627 469 A CB -0.858 18.078 19.000 -0.107 0.000 0.815 469 A HN 0.487 nan 8.150 nan 0.000 0.443 470 G N -0.695 107.726 108.800 -0.633 0.000 2.408 470 G HA2 -0.044 3.916 3.960 -0.001 0.000 0.217 470 G HA3 -0.044 3.916 3.960 -0.001 0.000 0.217 470 G C 1.444 175.764 174.900 -0.967 0.000 1.150 470 G CA 1.188 45.535 45.100 -1.255 0.000 0.776 470 G HN 0.302 nan 8.290 nan 0.000 0.542 471 V N 0.400 119.909 119.914 -0.674 0.000 2.453 471 V HA -0.091 4.029 4.120 -0.001 0.000 0.247 471 V C 2.514 178.492 176.094 -0.194 0.000 1.048 471 V CA 2.005 64.119 62.300 -0.310 0.000 1.049 471 V CB -0.156 31.494 31.823 -0.289 0.000 0.672 471 V HN 0.519 nan 8.190 nan 0.000 0.457 472 E N 0.325 120.413 120.200 -0.185 0.000 2.106 472 E HA -0.261 4.089 4.350 -0.001 0.000 0.192 472 E C 2.317 178.853 176.600 -0.105 0.000 0.984 472 E CA 1.328 57.657 56.400 -0.118 0.000 0.806 472 E CB -0.042 29.598 29.700 -0.100 0.000 0.750 472 E HN 0.524 nan 8.360 nan 0.000 0.458 473 K N -0.008 120.312 120.400 -0.133 0.000 2.057 473 K HA -0.104 4.215 4.320 -0.001 0.000 0.206 473 K C 2.017 178.583 176.600 -0.057 0.000 1.050 473 K CA 1.069 57.302 56.287 -0.090 0.000 0.935 473 K CB -0.138 32.303 32.500 -0.099 0.000 0.715 473 K HN 0.133 nan 8.250 nan 0.000 0.439 474 A N 1.080 123.865 122.820 -0.059 0.000 2.019 474 A HA -0.097 4.223 4.320 -0.001 0.000 0.219 474 A C 1.985 179.559 177.584 -0.017 0.000 1.164 474 A CA 1.142 53.176 52.037 -0.005 0.000 0.644 474 A CB -0.424 18.605 19.000 0.048 0.000 0.805 474 A HN 0.335 nan 8.150 nan 0.000 0.449 475 I N -1.002 119.542 120.570 -0.043 0.000 2.353 475 I HA -0.178 3.991 4.170 -0.001 0.000 0.248 475 I C 2.479 178.577 176.117 -0.030 0.000 1.119 475 I CA 1.443 62.718 61.300 -0.042 0.000 1.417 475 I CB -0.155 37.809 38.000 -0.059 0.000 1.078 475 I HN 0.313 nan 8.210 nan 0.000 0.421 476 K N 0.839 121.220 120.400 -0.032 0.000 2.097 476 K HA -0.122 4.198 4.320 -0.001 0.000 0.205 476 K C 2.033 178.624 176.600 -0.015 0.000 1.050 476 K CA 1.156 57.429 56.287 -0.024 0.000 0.938 476 K CB 0.164 32.647 32.500 -0.027 0.000 0.718 476 K HN 0.104 nan 8.250 nan 0.000 0.442 477 V N 1.350 121.258 119.914 -0.011 0.000 2.453 477 V HA -0.206 3.914 4.120 -0.001 0.000 0.247 477 V C 2.154 178.248 176.094 0.000 0.000 1.048 477 V CA 1.136 63.435 62.300 -0.002 0.000 1.049 477 V CB -0.271 31.556 31.823 0.007 0.000 0.672 477 V HN 0.305 nan 8.190 nan 0.000 0.457 478 L N -0.139 121.083 121.223 -0.001 0.000 2.109 478 L HA 0.018 4.357 4.340 -0.001 0.000 0.207 478 L C 1.408 178.276 176.870 -0.003 0.000 1.086 478 L CA 1.511 56.351 54.840 0.000 0.000 0.760 478 L CB -0.287 41.772 42.059 -0.001 0.000 0.910 478 L HN 0.389 nan 8.230 nan 0.000 0.437 479 E N 0.000 120.196 120.200 -0.007 0.000 2.725 479 E HA 0.000 4.349 4.350 -0.001 0.000 0.291 479 E CA 0.000 56.396 56.400 -0.007 0.000 0.976 479 E CB 0.000 29.694 29.700 -0.011 0.000 0.812 479 E HN 0.000 nan 8.360 nan 0.000 0.440