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 1aom_1_B DATA FIRST_RESID 9 DATA SEQUENCE DPAAALEDHK TRTDNRYEPS LDNLAQQDVA APGAPEGVTA LSDAQYNEAN DATA SEQUENCE KIYFERCAGC HGVLRKGATG KALTPDLTRD LGFDYLQSFI TYASPAGMPN DATA SEQUENCE WGTSGELSAE QVDLMANYLL LDPAAPPEFG MKEMRESWKV HVAPEDRPTQ DATA SEQUENCE QMNDWDLENL FSVTLRDAGQ IALIDGSTYE IKTVLDTGYA VHISRLSASG DATA SEQUENCE RYLFVIGRDG KVNMIDLWMK EPTTVAEIKI GSEARSIETS KMEGWEDKYA DATA SEQUENCE IAGAYWPPQY VIMDGETLEP KKIQSTRGMT YDEQEYHPEP RVAAILASHY DATA SEQUENCE RPEFIVNVKE TGKILLVDYT DLNNLKTTEI SAERFLHDGG LDGSHRYFIT DATA SEQUENCE AANARNKLVV IDTKEGKLVA IEDTGGQTPH PGRGANFVHP TFGPVWATSH DATA SEQUENCE MGDDSVALIG TDPEGHPDNA WKILDSFPAL GGGSLFIKTH PNSQYLYVDA DATA SEQUENCE TLNPEAEISG SVAVFDIKAM TGDGSDPEFK TLPIAEWAGI TEGQPRVVQG DATA SEQUENCE EFNKDGTEVW FSVWNGKDQE SALVVVDDKT LELKHVIKDE RLVTPTGKFN DATA SEQUENCE VYNTMTDTY 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 9 D HA 0.000 nan 4.640 nan 0.000 0.175 9 D C 0.000 176.476 176.300 0.294 0.000 2.045 9 D CA 0.000 54.152 54.000 0.254 0.000 0.868 9 D CB 0.000 40.877 40.800 0.128 0.000 0.688 10 P HA -0.052 nan 4.420 nan 0.000 0.222 10 P C 1.133 178.362 177.300 -0.119 0.000 1.147 10 P CA 0.583 63.694 63.100 0.018 0.000 0.790 10 P CB 0.209 31.894 31.700 -0.026 0.000 0.780 11 A N 0.706 123.450 122.820 -0.127 0.000 2.186 11 A HA 0.002 4.322 4.320 -0.001 0.000 0.219 11 A C 2.367 179.644 177.584 -0.512 0.000 1.159 11 A CA 1.468 53.235 52.037 -0.449 0.000 0.680 11 A CB -1.224 17.674 19.000 -0.170 0.000 0.787 11 A HN 0.257 nan 8.150 nan 0.000 0.467 12 A N -0.248 122.419 122.820 -0.255 0.000 2.125 12 A HA 0.204 4.524 4.320 -0.001 0.000 0.219 12 A C 2.294 179.669 177.584 -0.348 0.000 1.156 12 A CA 1.531 53.480 52.037 -0.147 0.000 0.671 12 A CB -0.700 18.376 19.000 0.127 0.000 0.794 12 A HN 1.035 nan 8.150 nan 0.000 0.459 13 A N -0.103 122.187 122.820 -0.884 0.000 2.070 13 A HA -0.030 4.289 4.320 -0.001 0.000 0.220 13 A C 2.010 179.245 177.584 -0.582 0.000 1.159 13 A CA 1.224 52.548 52.037 -1.188 0.000 0.656 13 A CB -0.502 17.527 19.000 -1.619 0.000 0.800 13 A HN 0.503 nan 8.150 nan 0.000 0.453 14 L N -0.756 120.112 121.223 -0.591 0.000 2.079 14 L HA -0.189 4.151 4.340 -0.001 0.000 0.210 14 L C 2.507 179.274 176.870 -0.171 0.000 1.081 14 L CA 1.525 56.160 54.840 -0.341 0.000 0.752 14 L CB -0.504 41.360 42.059 -0.325 0.000 0.896 14 L HN 0.440 nan 8.230 nan 0.000 0.433 15 E N -0.494 119.618 120.200 -0.146 0.000 2.110 15 E HA -0.082 4.267 4.350 -0.001 0.000 0.193 15 E C 1.771 178.369 176.600 -0.004 0.000 0.950 15 E CA 0.501 56.865 56.400 -0.060 0.000 0.840 15 E CB -0.309 29.363 29.700 -0.046 0.000 0.809 15 E HN 0.358 nan 8.360 nan 0.000 0.465 16 D N 0.843 121.251 120.400 0.013 0.000 2.133 16 D HA -0.157 4.483 4.640 -0.001 0.000 0.195 16 D C 1.239 177.694 176.300 0.258 0.000 0.997 16 D CA 1.297 55.374 54.000 0.128 0.000 0.840 16 D CB -0.373 40.550 40.800 0.206 0.000 0.947 16 D HN 0.408 nan 8.370 nan 0.000 0.452 17 H N -0.614 118.452 119.070 -0.008 0.000 2.505 17 H HA 0.140 4.696 4.556 -0.001 0.000 0.289 17 H C 0.479 175.785 175.328 -0.037 0.000 1.052 17 H CA -0.491 55.555 56.048 -0.003 0.000 1.156 17 H CB 0.736 30.486 29.762 -0.020 0.000 1.507 17 H HN -0.036 nan 8.280 nan 0.000 0.548 18 K N 1.750 122.183 120.400 0.055 0.000 2.326 18 K HA 0.052 4.372 4.320 -0.001 0.000 0.275 18 K C -0.416 176.178 176.600 -0.010 0.000 1.018 18 K CA -0.130 56.158 56.287 0.003 0.000 0.962 18 K CB 0.842 33.332 32.500 -0.016 0.000 0.953 18 K HN -0.059 nan 8.250 nan 0.000 0.475 19 T N 4.812 119.351 114.554 -0.026 0.000 2.814 19 T HA 0.243 4.593 4.350 -0.001 0.000 0.297 19 T C -0.253 174.427 174.700 -0.035 0.000 0.956 19 T CA -0.199 61.878 62.100 -0.040 0.000 1.123 19 T CB 0.404 69.242 68.868 -0.050 0.000 0.902 19 T HN 0.532 nan 8.240 nan 0.000 0.528 20 R N 1.562 122.041 120.500 -0.035 0.000 2.837 20 R HA 0.403 4.742 4.340 -0.001 0.000 0.271 20 R C 1.212 177.492 176.300 -0.033 0.000 0.993 20 R CA -0.848 55.234 56.100 -0.031 0.000 0.931 20 R CB 1.013 31.298 30.300 -0.025 0.000 1.206 20 R HN 0.475 nan 8.270 nan 0.000 0.474 21 T N 0.650 115.186 114.554 -0.031 0.000 2.699 21 T HA -0.190 4.159 4.350 -0.001 0.000 0.268 21 T C 1.149 175.833 174.700 -0.027 0.000 1.036 21 T CA 2.137 64.219 62.100 -0.031 0.000 1.147 21 T CB -0.259 68.591 68.868 -0.030 0.000 0.862 21 T HN 0.732 nan 8.240 nan 0.000 0.446 22 D N 1.761 122.144 120.400 -0.029 0.000 2.347 22 D HA -0.062 4.578 4.640 -0.001 0.000 0.213 22 D C 1.518 177.814 176.300 -0.006 0.000 0.985 22 D CA 0.377 54.358 54.000 -0.031 0.000 0.879 22 D CB -0.611 40.166 40.800 -0.039 0.000 0.919 22 D HN 0.504 nan 8.370 nan 0.000 0.526 23 N N 0.615 119.307 118.700 -0.014 0.000 2.299 23 N HA -0.027 4.712 4.740 -0.001 0.000 0.187 23 N C 1.302 176.801 175.510 -0.018 0.000 1.099 23 N CA -0.022 53.016 53.050 -0.019 0.000 0.867 23 N CB -0.373 38.090 38.487 -0.039 0.000 0.974 23 N HN 0.072 nan 8.380 nan 0.000 0.477 24 R N -0.915 119.579 120.500 -0.009 0.000 2.280 24 R HA -0.032 4.308 4.340 -0.001 0.000 0.207 24 R C -0.147 176.155 176.300 0.003 0.000 1.043 24 R CA 0.428 56.505 56.100 -0.038 0.000 1.006 24 R CB -0.270 30.001 30.300 -0.049 0.000 0.885 24 R HN 0.258 nan 8.270 nan 0.000 0.467 25 Y N 2.375 122.630 120.300 -0.075 0.000 2.736 25 Y HA 0.107 4.656 4.550 -0.001 0.000 0.339 25 Y C -0.625 175.249 175.900 -0.044 0.000 1.301 25 Y CA -0.164 57.910 58.100 -0.044 0.000 1.676 25 Y CB -0.084 38.334 38.460 -0.070 0.000 1.725 25 Y HN -0.164 nan 8.280 nan 0.000 0.466 26 E N 4.340 124.460 120.200 -0.134 0.000 2.314 26 E HA 0.317 4.666 4.350 -0.001 0.000 0.272 26 E C -2.669 173.881 176.600 -0.084 0.000 0.884 26 E CA -2.213 54.117 56.400 -0.116 0.000 0.753 26 E CB 1.649 31.296 29.700 -0.088 0.000 1.213 26 E HN 0.318 nan 8.360 nan 0.000 0.432 27 P HA -0.003 nan 4.420 nan 0.000 0.265 27 P C -0.331 177.039 177.300 0.116 0.000 1.193 27 P CA 0.003 63.167 63.100 0.107 0.000 0.765 27 P CB 0.663 32.454 31.700 0.151 0.000 0.823 28 S N 2.980 118.816 115.700 0.227 0.000 2.498 28 S HA 0.337 4.807 4.470 -0.001 0.000 0.324 28 S C 0.225 174.946 174.600 0.201 0.000 1.071 28 S CA -0.819 57.515 58.200 0.224 0.000 1.113 28 S CB -0.292 63.152 63.200 0.407 0.000 0.976 28 S HN 0.301 nan 8.310 nan 0.000 0.462 29 L N 5.097 126.400 121.223 0.134 0.000 2.796 29 L HA 0.261 4.601 4.340 -0.001 0.000 0.235 29 L C 0.772 177.711 176.870 0.116 0.000 1.344 29 L CA -0.383 54.512 54.840 0.092 0.000 1.245 29 L CB -0.539 41.511 42.059 -0.016 0.000 1.556 29 L HN 0.703 nan 8.230 nan 0.000 0.423 30 D N -2.001 118.484 120.400 0.142 0.000 2.310 30 D HA -0.160 4.479 4.640 -0.001 0.000 0.212 30 D C 1.401 177.773 176.300 0.119 0.000 0.965 30 D CA 0.663 54.755 54.000 0.154 0.000 0.879 30 D CB 0.085 40.998 40.800 0.187 0.000 0.921 30 D HN 0.283 nan 8.370 nan 0.000 0.510 31 N N 0.130 118.861 118.700 0.053 0.000 2.251 31 N HA -0.036 4.703 4.740 -0.001 0.000 0.181 31 N C 1.684 177.192 175.510 -0.003 0.000 1.019 31 N CA 0.377 53.406 53.050 -0.036 0.000 0.862 31 N CB -0.139 38.258 38.487 -0.150 0.000 0.992 31 N HN 0.190 nan 8.380 nan 0.000 0.429 32 L N 1.737 122.965 121.223 0.008 0.000 2.141 32 L HA 0.079 4.418 4.340 -0.001 0.000 0.209 32 L C 2.135 179.132 176.870 0.212 0.000 1.094 32 L CA 1.046 55.893 54.840 0.011 0.000 0.763 32 L CB -0.610 41.321 42.059 -0.213 0.000 0.908 32 L HN 0.069 nan 8.230 nan 0.000 0.437 33 A N -1.220 121.768 122.820 0.280 0.000 2.070 33 A HA -0.225 4.095 4.320 -0.001 0.000 0.220 33 A C 2.132 179.836 177.584 0.198 0.000 1.159 33 A CA 1.556 53.805 52.037 0.354 0.000 0.656 33 A CB -0.495 18.659 19.000 0.257 0.000 0.800 33 A HN 0.667 nan 8.150 nan 0.000 0.453 34 Q N -0.234 119.657 119.800 0.151 0.000 2.436 34 Q HA -0.043 4.296 4.340 -0.001 0.000 0.209 34 Q C 0.179 176.248 176.000 0.116 0.000 0.965 34 Q CA 0.247 56.121 55.803 0.120 0.000 0.910 34 Q CB 0.002 28.805 28.738 0.108 0.000 0.980 34 Q HN 0.728 nan 8.270 nan 0.000 0.491 35 Q N 1.338 121.223 119.800 0.141 0.000 2.313 35 Q HA 0.049 4.388 4.340 -0.001 0.000 0.266 35 Q C -0.947 175.134 176.000 0.136 0.000 0.989 35 Q CA -0.049 55.839 55.803 0.141 0.000 0.890 35 Q CB 0.642 29.479 28.738 0.166 0.000 1.200 35 Q HN 0.027 nan 8.270 nan 0.000 0.396 36 D N 1.523 121.992 120.400 0.115 0.000 2.308 36 D HA 0.270 4.909 4.640 -0.001 0.000 0.251 36 D C -1.006 175.368 176.300 0.123 0.000 1.127 36 D CA -0.197 53.867 54.000 0.106 0.000 0.876 36 D CB 0.903 41.757 40.800 0.090 0.000 1.176 36 D HN 0.274 nan 8.370 nan 0.000 0.446 37 V N 0.577 120.576 119.914 0.141 0.000 2.823 37 V HA 0.895 5.014 4.120 -0.001 0.000 0.312 37 V C -0.218 175.974 176.094 0.163 0.000 1.072 37 V CA -1.208 61.193 62.300 0.169 0.000 0.937 37 V CB 1.477 33.444 31.823 0.239 0.000 1.013 37 V HN 0.596 nan 8.190 nan 0.000 0.430 38 A N 2.800 125.677 122.820 0.094 0.000 2.354 38 A HA 0.852 5.171 4.320 -0.001 0.000 0.269 38 A C 0.660 178.191 177.584 -0.090 0.000 1.109 38 A CA 0.014 52.067 52.037 0.027 0.000 0.800 38 A CB 0.547 19.547 19.000 -0.001 0.000 1.045 38 A HN 2.240 nan 8.150 nan 0.000 0.489 39 A N 3.785 126.517 122.820 -0.146 0.000 2.440 39 A HA 0.570 4.890 4.320 -0.001 0.000 0.251 39 A C -1.613 175.714 177.584 -0.428 0.000 1.089 39 A CA -0.967 50.799 52.037 -0.452 0.000 0.779 39 A CB -0.491 18.397 19.000 -0.186 0.000 1.022 39 A HN 0.744 nan 8.150 nan 0.000 0.492 40 P HA 0.369 nan 4.420 nan 0.000 0.278 40 P C 0.289 177.451 177.300 -0.230 0.000 1.266 40 P CA -0.148 62.743 63.100 -0.348 0.000 0.807 40 P CB 0.735 32.211 31.700 -0.373 0.000 1.094 41 G N -0.630 108.081 108.800 -0.148 0.000 2.467 41 G HA2 0.475 4.435 3.960 -0.001 0.000 0.257 41 G HA3 0.475 4.435 3.960 -0.001 0.000 0.257 41 G C -0.541 174.303 174.900 -0.092 0.000 1.227 41 G CA -0.439 44.600 45.100 -0.101 0.000 0.835 41 G HN 0.637 nan 8.290 nan 0.000 0.556 42 A N 3.190 125.969 122.820 -0.068 0.000 2.260 42 A HA 0.713 5.032 4.320 -0.001 0.000 0.308 42 A C -1.854 175.705 177.584 -0.042 0.000 1.254 42 A CA -1.143 50.863 52.037 -0.052 0.000 0.874 42 A CB 0.579 19.555 19.000 -0.040 0.000 1.153 42 A HN 0.558 nan 8.150 nan 0.000 0.527 43 P HA 0.163 nan 4.420 nan 0.000 0.274 43 P C -0.021 177.264 177.300 -0.024 0.000 1.260 43 P CA -0.610 62.472 63.100 -0.030 0.000 0.793 43 P CB 0.412 32.095 31.700 -0.029 0.000 1.048 44 E N 0.076 120.263 120.200 -0.021 0.000 2.465 44 E HA 0.190 4.540 4.350 -0.001 0.000 0.260 44 E C 0.774 177.365 176.600 -0.015 0.000 0.980 44 E CA 0.857 57.247 56.400 -0.018 0.000 0.927 44 E CB -0.568 29.122 29.700 -0.015 0.000 0.934 44 E HN 0.712 nan 8.360 nan 0.000 0.459 45 G N 2.344 111.135 108.800 -0.015 0.000 2.175 45 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.244 45 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.244 45 G C -0.065 174.828 174.900 -0.012 0.000 0.982 45 G CA 0.153 45.247 45.100 -0.011 0.000 0.641 45 G HN 1.024 nan 8.290 nan 0.000 0.527 46 V N -2.284 117.619 119.914 -0.017 0.000 2.789 46 V HA 0.899 5.018 4.120 -0.001 0.000 0.311 46 V C 0.063 176.138 176.094 -0.032 0.000 1.073 46 V CA -0.268 62.022 62.300 -0.017 0.000 0.921 46 V CB 1.823 33.644 31.823 -0.002 0.000 1.009 46 V HN 0.367 nan 8.190 nan 0.000 0.426 47 T N 3.716 118.241 114.554 -0.048 0.000 2.856 47 T HA 0.717 5.066 4.350 -0.001 0.000 0.292 47 T C 0.449 175.135 174.700 -0.024 0.000 0.980 47 T CA 0.421 62.490 62.100 -0.052 0.000 1.091 47 T CB 1.338 70.149 68.868 -0.095 0.000 0.936 47 T HN 1.408 nan 8.240 nan 0.000 0.503 48 A N 3.379 126.187 122.820 -0.020 0.000 2.304 48 A HA 0.697 5.017 4.320 -0.001 0.000 0.271 48 A C -0.220 177.376 177.584 0.020 0.000 1.091 48 A CA -0.567 51.465 52.037 -0.007 0.000 0.812 48 A CB 0.200 19.186 19.000 -0.024 0.000 1.056 48 A HN 0.828 nan 8.150 nan 0.000 0.489 49 L N 1.282 122.537 121.223 0.053 0.000 2.334 49 L HA 0.421 4.761 4.340 -0.001 0.000 0.273 49 L C 0.948 177.865 176.870 0.078 0.000 1.013 49 L CA -0.638 54.261 54.840 0.099 0.000 0.816 49 L CB 2.044 44.230 42.059 0.211 0.000 1.278 49 L HN 0.954 nan 8.230 nan 0.000 0.431 50 S N -0.265 115.479 115.700 0.074 0.000 2.617 50 S HA 0.070 4.539 4.470 -0.001 0.000 0.259 50 S C 0.643 175.298 174.600 0.092 0.000 1.301 50 S CA -0.608 57.627 58.200 0.058 0.000 0.984 50 S CB 0.883 64.111 63.200 0.047 0.000 0.954 50 S HN 0.650 nan 8.310 nan 0.000 0.572 51 D N 1.054 121.495 120.400 0.069 0.000 2.123 51 D HA -0.122 4.518 4.640 -0.001 0.000 0.196 51 D C 2.210 178.581 176.300 0.118 0.000 0.992 51 D CA 1.708 55.764 54.000 0.093 0.000 0.833 51 D CB -0.478 40.357 40.800 0.059 0.000 0.954 51 D HN 0.701 nan 8.370 nan 0.000 0.455 52 A N 1.203 124.073 122.820 0.083 0.000 1.858 52 A HA -0.232 4.087 4.320 -0.001 0.000 0.216 52 A C 2.173 179.800 177.584 0.071 0.000 1.190 52 A CA 1.387 53.465 52.037 0.068 0.000 0.617 52 A CB -0.671 18.358 19.000 0.048 0.000 0.827 52 A HN 0.198 nan 8.150 nan 0.000 0.443 53 Q N -2.102 117.748 119.800 0.083 0.000 2.050 53 Q HA -0.212 4.127 4.340 -0.001 0.000 0.202 53 Q C 2.056 178.114 176.000 0.097 0.000 0.980 53 Q CA 1.896 57.746 55.803 0.079 0.000 0.840 53 Q CB -0.360 28.431 28.738 0.089 0.000 0.898 53 Q HN 0.815 nan 8.270 nan 0.000 0.424 54 Y N 1.606 121.937 120.300 0.050 0.000 2.181 54 Y HA -0.201 4.348 4.550 -0.001 0.000 0.288 54 Y C 1.963 177.898 175.900 0.058 0.000 1.146 54 Y CA 1.285 59.438 58.100 0.089 0.000 1.164 54 Y CB -0.076 38.428 38.460 0.074 0.000 0.982 54 Y HN 0.119 nan 8.280 nan 0.000 0.515 55 N N 0.482 119.241 118.700 0.098 0.000 2.120 55 N HA -0.221 4.519 4.740 -0.001 0.000 0.188 55 N C 1.907 177.358 175.510 -0.098 0.000 1.024 55 N CA 1.605 54.661 53.050 0.010 0.000 0.852 55 N CB -0.309 38.219 38.487 0.068 0.000 1.003 55 N HN 0.599 nan 8.380 nan 0.000 0.424 56 E N 0.645 120.801 120.200 -0.073 0.000 2.051 56 E HA -0.112 4.237 4.350 -0.001 0.000 0.192 56 E C 1.819 178.304 176.600 -0.191 0.000 0.991 56 E CA 1.078 57.423 56.400 -0.091 0.000 0.799 56 E CB -0.010 29.663 29.700 -0.044 0.000 0.748 56 E HN 0.304 nan 8.360 nan 0.000 0.449 57 A N 0.951 123.610 122.820 -0.268 0.000 1.930 57 A HA -0.219 4.100 4.320 -0.001 0.000 0.217 57 A C 1.943 179.032 177.584 -0.826 0.000 1.175 57 A CA 1.725 53.482 52.037 -0.465 0.000 0.627 57 A CB -0.777 17.976 19.000 -0.412 0.000 0.815 57 A HN 0.350 nan 8.150 nan 0.000 0.443 58 N N -0.114 118.102 118.700 -0.807 0.000 2.120 58 N HA -0.186 4.554 4.740 -0.001 0.000 0.188 58 N C 1.719 176.851 175.510 -0.630 0.000 1.024 58 N CA 1.929 54.474 53.050 -0.842 0.000 0.852 58 N CB -0.255 37.902 38.487 -0.551 0.000 1.003 58 N HN 0.559 nan 8.380 nan 0.000 0.424 59 K N 0.189 120.384 120.400 -0.343 0.000 2.057 59 K HA -0.063 4.257 4.320 -0.001 0.000 0.207 59 K C 1.899 178.429 176.600 -0.117 0.000 1.049 59 K CA 1.247 57.444 56.287 -0.150 0.000 0.931 59 K CB -0.160 32.303 32.500 -0.062 0.000 0.714 59 K HN 0.223 nan 8.250 nan 0.000 0.440 60 I N 0.239 120.707 120.570 -0.170 0.000 2.179 60 I HA -0.287 3.883 4.170 -0.001 0.000 0.242 60 I C 2.301 178.346 176.117 -0.119 0.000 1.088 60 I CA 1.245 62.472 61.300 -0.121 0.000 1.357 60 I CB -0.418 37.502 38.000 -0.134 0.000 1.051 60 I HN 0.233 nan 8.210 nan 0.000 0.409 61 Y N 1.335 121.423 120.300 -0.353 0.000 2.097 61 Y HA -0.319 4.230 4.550 -0.001 0.000 0.282 61 Y C 2.328 178.254 175.900 0.044 0.000 1.152 61 Y CA 1.748 59.694 58.100 -0.256 0.000 1.136 61 Y CB -0.382 37.757 38.460 -0.535 0.000 0.975 61 Y HN -0.008 nan 8.280 nan 0.000 0.498 62 F N 0.724 120.637 119.950 -0.061 0.000 2.171 62 F HA -0.139 4.387 4.527 -0.001 0.000 0.300 62 F C 2.344 178.095 175.800 -0.082 0.000 1.090 62 F CA 1.447 59.405 58.000 -0.069 0.000 1.293 62 F CB -1.075 37.937 39.000 0.019 0.000 1.013 62 F HN 0.226 nan 8.300 nan 0.000 0.486 63 E N -0.058 120.220 120.200 0.129 0.000 2.107 63 E HA -0.153 4.197 4.350 -0.001 0.000 0.191 63 E C 1.803 178.418 176.600 0.026 0.000 0.982 63 E CA 1.221 57.676 56.400 0.090 0.000 0.809 63 E CB -0.051 29.697 29.700 0.080 0.000 0.756 63 E HN 0.453 nan 8.360 nan 0.000 0.459 64 R N -1.302 119.170 120.500 -0.046 0.000 2.531 64 R HA 0.265 4.604 4.340 -0.001 0.000 0.316 64 R C 1.206 177.431 176.300 -0.125 0.000 0.955 64 R CA 0.062 56.116 56.100 -0.077 0.000 1.120 64 R CB 0.110 30.371 30.300 -0.065 0.000 1.361 64 R HN 0.061 nan 8.270 nan 0.000 0.534 65 C N -0.544 118.613 119.300 -0.239 0.000 2.878 65 C HA 0.468 4.928 4.460 -0.001 0.000 0.490 65 C C 2.564 177.347 174.990 -0.346 0.000 1.339 65 C CA 0.326 59.188 59.018 -0.261 0.000 2.353 65 C CB 0.708 28.259 27.740 -0.316 0.000 3.174 65 C HN 0.559 nan 8.230 nan 0.000 0.569 66 A N 1.719 124.189 122.820 -0.583 0.000 2.024 66 A HA 0.102 4.422 4.320 -0.001 0.000 0.220 66 A C 2.240 179.784 177.584 -0.066 0.000 1.164 66 A CA 2.148 54.024 52.037 -0.269 0.000 0.643 66 A CB -1.134 17.826 19.000 -0.066 0.000 0.806 66 A HN 0.589 nan 8.150 nan 0.000 0.451 67 G N -1.024 107.728 108.800 -0.080 0.000 2.421 67 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.216 67 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.216 67 G C 1.522 176.379 174.900 -0.072 0.000 1.171 67 G CA 1.438 46.500 45.100 -0.062 0.000 0.775 67 G HN 0.541 nan 8.290 nan 0.000 0.543 68 C N -0.816 118.418 119.300 -0.111 0.000 2.504 68 C HA 0.248 4.707 4.460 -0.001 0.000 0.279 68 C C 2.257 177.122 174.990 -0.209 0.000 1.358 68 C CA 0.228 59.128 59.018 -0.196 0.000 1.747 68 C CB -0.679 26.866 27.740 -0.324 0.000 2.037 68 C HN 0.488 nan 8.230 nan 0.000 0.503 69 H N 0.258 119.374 119.070 0.078 0.000 2.592 69 H HA 0.286 4.842 4.556 -0.001 0.000 0.265 69 H C 1.319 176.777 175.328 0.215 0.000 0.955 69 H CA 1.233 57.382 56.048 0.168 0.000 1.175 69 H CB 0.141 30.050 29.762 0.245 0.000 1.433 69 H HN 0.531 nan 8.280 nan 0.000 0.537 70 G N 0.315 109.273 108.800 0.262 0.000 2.785 70 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.686 70 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.686 70 G C 0.792 175.901 174.900 0.348 0.000 1.155 70 G CA -0.154 45.099 45.100 0.255 0.000 0.760 70 G HN 0.086 nan 8.290 nan 0.000 0.624 71 V N 1.943 121.983 119.914 0.211 0.000 2.332 71 V HA -0.166 3.953 4.120 -0.001 0.000 0.248 71 V C 2.733 178.984 176.094 0.261 0.000 1.055 71 V CA 2.534 64.933 62.300 0.166 0.000 1.038 71 V CB -0.534 31.067 31.823 -0.370 0.000 0.651 71 V HN 0.581 nan 8.190 nan 0.000 0.450 72 L N -0.678 120.645 121.223 0.166 0.000 2.591 72 L HA 0.213 4.552 4.340 -0.001 0.000 0.228 72 L C 1.141 178.096 176.870 0.141 0.000 1.133 72 L CA 0.111 55.032 54.840 0.135 0.000 0.880 72 L CB -0.253 41.891 42.059 0.141 0.000 1.033 72 L HN 0.308 nan 8.230 nan 0.000 0.450 73 R N -0.777 119.862 120.500 0.232 0.000 3.875 73 R HA -0.158 4.182 4.340 -0.001 0.000 0.321 73 R C 0.546 176.939 176.300 0.154 0.000 1.196 73 R CA 0.397 56.633 56.100 0.226 0.000 0.868 73 R CB -1.586 28.770 30.300 0.093 0.000 1.333 73 R HN 0.293 nan 8.270 nan 0.000 0.522 74 K N 0.935 121.409 120.400 0.123 0.000 2.444 74 K HA 0.113 4.433 4.320 -0.001 0.000 0.193 74 K C 1.041 177.680 176.600 0.065 0.000 1.024 74 K CA 1.045 57.355 56.287 0.038 0.000 1.077 74 K CB 0.602 33.054 32.500 -0.080 0.000 0.833 74 K HN 0.546 nan 8.250 nan 0.000 0.517 75 G N 0.383 109.290 108.800 0.177 0.000 2.777 75 G HA2 0.008 3.967 3.960 -0.001 0.000 0.686 75 G HA3 0.008 3.967 3.960 -0.001 0.000 0.686 75 G C -0.100 174.961 174.900 0.269 0.000 1.177 75 G CA -0.310 44.923 45.100 0.221 0.000 0.775 75 G HN 0.353 nan 8.290 nan 0.000 0.613 76 A N 0.654 123.615 122.820 0.235 0.000 2.144 76 A HA 0.854 5.173 4.320 -0.001 0.000 0.191 76 A C 2.238 179.981 177.584 0.264 0.000 1.705 76 A CA 1.268 53.484 52.037 0.298 0.000 1.653 76 A CB -0.584 18.534 19.000 0.196 0.000 1.624 76 A HN 2.275 nan 8.150 nan 0.000 0.691 77 T N -1.490 113.083 114.554 0.031 0.000 2.985 77 T HA 0.345 4.695 4.350 -0.001 0.000 0.266 77 T C 1.010 175.648 174.700 -0.102 0.000 1.076 77 T CA 1.009 63.008 62.100 -0.168 0.000 1.135 77 T CB -0.519 68.179 68.868 -0.283 0.000 0.890 77 T HN 0.985 nan 8.240 nan 0.000 0.480 78 G N 1.749 110.451 108.800 -0.163 0.000 2.389 78 G HA2 0.540 4.500 3.960 -0.001 0.000 0.328 78 G HA3 0.540 4.500 3.960 -0.001 0.000 0.328 78 G C -0.335 174.610 174.900 0.076 0.000 1.133 78 G CA -1.157 43.818 45.100 -0.209 0.000 0.891 78 G HN 0.664 nan 8.290 nan 0.000 0.485 79 K N 0.224 120.754 120.400 0.215 0.000 2.188 79 K HA 0.496 4.816 4.320 -0.001 0.000 0.246 79 K C 0.470 177.247 176.600 0.294 0.000 1.026 79 K CA -0.060 56.358 56.287 0.219 0.000 0.871 79 K CB 0.348 32.935 32.500 0.144 0.000 1.042 79 K HN 0.471 nan 8.250 nan 0.000 0.509 80 A N 1.027 123.950 122.820 0.171 0.000 2.445 80 A HA 0.264 4.583 4.320 -0.001 0.000 0.242 80 A C 0.250 177.886 177.584 0.088 0.000 1.075 80 A CA -0.474 51.645 52.037 0.137 0.000 0.777 80 A CB -0.203 18.840 19.000 0.072 0.000 1.013 80 A HN 0.695 nan 8.150 nan 0.000 0.493 81 L N 2.169 123.431 121.223 0.066 0.000 3.291 81 L HA 0.148 4.487 4.340 -0.001 0.000 0.307 81 L C 0.580 177.440 176.870 -0.018 0.000 1.303 81 L CA -0.262 54.574 54.840 -0.007 0.000 0.949 81 L CB 0.050 42.077 42.059 -0.053 0.000 1.375 81 L HN 0.904 nan 8.230 nan 0.000 0.596 82 T N -3.748 110.803 114.554 -0.005 0.000 2.856 82 T HA 0.158 4.508 4.350 -0.001 0.000 0.306 82 T C -1.695 172.985 174.700 -0.035 0.000 1.062 82 T CA -1.248 60.840 62.100 -0.021 0.000 1.083 82 T CB 0.952 69.818 68.868 -0.004 0.000 0.984 82 T HN -0.106 nan 8.240 nan 0.000 0.542 83 P HA -0.193 nan 4.420 nan 0.000 0.216 83 P C 1.510 178.794 177.300 -0.028 0.000 1.154 83 P CA 1.436 64.511 63.100 -0.041 0.000 0.865 83 P CB -0.066 31.605 31.700 -0.048 0.000 0.789 84 D N -0.526 119.859 120.400 -0.024 0.000 2.182 84 D HA -0.157 4.482 4.640 -0.001 0.000 0.201 84 D C 1.816 178.101 176.300 -0.024 0.000 0.986 84 D CA 1.184 55.172 54.000 -0.020 0.000 0.847 84 D CB -0.799 39.992 40.800 -0.016 0.000 0.942 84 D HN 0.245 nan 8.370 nan 0.000 0.467 85 L N 0.812 122.019 121.223 -0.027 0.000 2.145 85 L HA -0.058 4.281 4.340 -0.001 0.000 0.201 85 L C 3.052 179.894 176.870 -0.047 0.000 1.075 85 L CA 1.451 56.268 54.840 -0.038 0.000 0.773 85 L CB -0.883 41.155 42.059 -0.034 0.000 0.936 85 L HN 0.131 nan 8.230 nan 0.000 0.451 86 T N -2.097 112.436 114.554 -0.035 0.000 2.788 86 T HA -0.191 4.158 4.350 -0.001 0.000 0.268 86 T C 1.990 176.689 174.700 -0.001 0.000 1.044 86 T CA 0.928 63.016 62.100 -0.020 0.000 1.139 86 T CB -0.342 68.519 68.868 -0.011 0.000 0.867 86 T HN 0.206 nan 8.240 nan 0.000 0.454 87 R N 1.147 121.646 120.500 -0.002 0.000 2.152 87 R HA -0.035 4.305 4.340 -0.001 0.000 0.232 87 R C 2.053 178.353 176.300 0.001 0.000 1.117 87 R CA 1.476 57.582 56.100 0.011 0.000 0.981 87 R CB -0.269 30.033 30.300 0.003 0.000 0.870 87 R HN 0.451 nan 8.270 nan 0.000 0.451 88 D N 0.458 120.844 120.400 -0.024 0.000 2.149 88 D HA -0.071 4.569 4.640 -0.001 0.000 0.201 88 D C 1.894 178.156 176.300 -0.063 0.000 0.972 88 D CA 0.853 54.829 54.000 -0.040 0.000 0.835 88 D CB -0.000 40.767 40.800 -0.055 0.000 0.966 88 D HN 0.168 nan 8.370 nan 0.000 0.476 89 L N 0.026 121.198 121.223 -0.085 0.000 2.056 89 L HA 0.078 4.417 4.340 -0.001 0.000 0.207 89 L C 1.193 178.062 176.870 -0.000 0.000 1.078 89 L CA 0.825 55.575 54.840 -0.149 0.000 0.749 89 L CB -0.612 41.343 42.059 -0.174 0.000 0.901 89 L HN 0.138 nan 8.230 nan 0.000 0.433 90 G N -1.609 107.227 108.800 0.060 0.000 2.692 90 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.686 90 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.686 90 G C -0.095 174.916 174.900 0.186 0.000 1.243 90 G CA -0.109 45.066 45.100 0.126 0.000 0.782 90 G HN 0.079 nan 8.290 nan 0.000 0.625 91 F N 1.058 121.052 119.950 0.073 0.000 2.095 91 F HA -0.094 4.432 4.527 -0.001 0.000 0.298 91 F C 2.333 178.185 175.800 0.088 0.000 1.104 91 F CA 2.750 60.794 58.000 0.072 0.000 1.232 91 F CB -0.072 38.958 39.000 0.049 0.000 0.987 91 F HN 0.531 nan 8.300 nan 0.000 0.475 92 D N -0.694 119.815 120.400 0.182 0.000 2.116 92 D HA -0.282 4.357 4.640 -0.001 0.000 0.193 92 D C 1.989 178.292 176.300 0.006 0.000 0.998 92 D CA 1.957 56.004 54.000 0.077 0.000 0.836 92 D CB -0.977 39.916 40.800 0.155 0.000 0.951 92 D HN 0.487 nan 8.370 nan 0.000 0.449 93 Y N 1.261 121.550 120.300 -0.018 0.000 2.114 93 Y HA -0.176 4.374 4.550 -0.001 0.000 0.284 93 Y C 2.241 178.135 175.900 -0.011 0.000 1.143 93 Y CA 1.424 59.528 58.100 0.005 0.000 1.135 93 Y CB -0.440 38.022 38.460 0.003 0.000 0.980 93 Y HN -0.076 nan 8.280 nan 0.000 0.499 94 L N 0.217 121.435 121.223 -0.008 0.000 2.012 94 L HA -0.295 4.045 4.340 -0.001 0.000 0.210 94 L C 2.719 179.466 176.870 -0.205 0.000 1.073 94 L CA 2.010 56.788 54.840 -0.103 0.000 0.748 94 L CB -0.831 41.188 42.059 -0.067 0.000 0.891 94 L HN 0.360 nan 8.230 nan 0.000 0.431 95 Q N -0.089 119.469 119.800 -0.402 0.000 2.061 95 Q HA -0.207 4.133 4.340 -0.001 0.000 0.204 95 Q C 2.317 178.187 176.000 -0.217 0.000 0.984 95 Q CA 2.239 57.796 55.803 -0.410 0.000 0.846 95 Q CB 0.050 28.400 28.738 -0.647 0.000 0.902 95 Q HN 0.437 nan 8.270 nan 0.000 0.421 96 S N 0.154 115.741 115.700 -0.189 0.000 2.368 96 S HA -0.127 4.343 4.470 -0.001 0.000 0.225 96 S C 1.434 175.991 174.600 -0.072 0.000 1.030 96 S CA 1.105 59.218 58.200 -0.145 0.000 0.999 96 S CB -0.433 62.714 63.200 -0.088 0.000 0.844 96 S HN 0.437 nan 8.310 nan 0.000 0.459 97 F N 2.123 121.914 119.950 -0.265 0.000 2.075 97 F HA -0.029 4.497 4.527 -0.001 0.000 0.297 97 F C 1.872 177.665 175.800 -0.012 0.000 1.113 97 F CA 1.269 59.156 58.000 -0.189 0.000 1.218 97 F CB -0.288 38.415 39.000 -0.495 0.000 0.984 97 F HN 0.094 nan 8.300 nan 0.000 0.472 98 I N -0.637 120.050 120.570 0.194 0.000 2.493 98 I HA -0.269 3.901 4.170 -0.001 0.000 0.254 98 I C 2.053 178.197 176.117 0.045 0.000 1.160 98 I CA 1.328 62.731 61.300 0.172 0.000 1.445 98 I CB -0.783 37.288 38.000 0.119 0.000 1.086 98 I HN 0.126 nan 8.210 nan 0.000 0.433 99 T N 0.041 114.552 114.554 -0.071 0.000 2.803 99 T HA -0.205 4.145 4.350 -0.001 0.000 0.269 99 T C 1.493 176.073 174.700 -0.199 0.000 1.052 99 T CA 1.421 63.416 62.100 -0.176 0.000 1.136 99 T CB -0.363 68.326 68.868 -0.299 0.000 0.864 99 T HN 0.318 nan 8.240 nan 0.000 0.467 100 Y N 1.610 121.832 120.300 -0.130 0.000 2.616 100 Y HA 0.349 4.898 4.550 -0.001 0.000 0.296 100 Y C 1.350 177.202 175.900 -0.079 0.000 1.154 100 Y CA 0.128 58.146 58.100 -0.137 0.000 1.325 100 Y CB -0.695 37.620 38.460 -0.242 0.000 1.007 100 Y HN 0.370 nan 8.280 nan 0.000 0.542 101 A N -0.234 122.641 122.820 0.092 0.000 3.457 101 A HA 0.082 4.401 4.320 -0.001 0.000 0.638 101 A C 0.262 177.912 177.584 0.110 0.000 0.693 101 A CA -0.166 51.912 52.037 0.069 0.000 0.259 101 A CB -1.617 17.397 19.000 0.023 0.000 3.678 101 A HN 0.572 nan 8.150 nan 0.000 0.526 102 S N -0.565 115.126 115.700 -0.016 0.000 2.638 102 S HA 0.894 5.364 4.470 -0.001 0.000 0.302 102 S C -3.082 171.417 174.600 -0.169 0.000 1.096 102 S CA -1.333 56.733 58.200 -0.223 0.000 0.953 102 S CB 1.802 64.832 63.200 -0.284 0.000 1.107 102 S HN 0.832 nan 8.310 nan 0.000 0.503 103 P HA 0.283 nan 4.420 nan 0.000 0.266 103 P C -0.531 176.696 177.300 -0.122 0.000 1.195 103 P CA 0.110 63.133 63.100 -0.128 0.000 0.768 103 P CB 0.186 31.812 31.700 -0.123 0.000 0.838 104 A N 3.309 126.066 122.820 -0.105 0.000 2.386 104 A HA 0.543 4.862 4.320 -0.001 0.000 0.248 104 A C 1.025 178.520 177.584 -0.148 0.000 1.082 104 A CA 0.410 52.375 52.037 -0.121 0.000 0.789 104 A CB -0.244 18.688 19.000 -0.113 0.000 1.025 104 A HN 0.592 nan 8.150 nan 0.000 0.490 105 G N 0.260 108.940 108.800 -0.200 0.000 2.574 105 G HA2 0.491 4.451 3.960 -0.001 0.000 0.248 105 G HA3 0.491 4.451 3.960 -0.001 0.000 0.248 105 G C 0.267 174.959 174.900 -0.348 0.000 1.422 105 G CA -0.868 44.067 45.100 -0.275 0.000 1.051 105 G HN 0.582 nan 8.290 nan 0.000 0.560 106 M N 1.978 121.249 119.600 -0.549 0.000 2.248 106 M HA 0.191 4.670 4.480 -0.001 0.000 0.337 106 M C -1.815 174.119 176.300 -0.610 0.000 1.121 106 M CA -2.034 52.965 55.300 -0.500 0.000 1.155 106 M CB 0.434 32.759 32.600 -0.457 0.000 1.514 106 M HN 0.269 nan 8.290 nan 0.000 0.452 107 P HA 0.083 nan 4.420 nan 0.000 0.272 107 P C -0.200 176.783 177.300 -0.529 0.000 1.240 107 P CA -0.036 62.802 63.100 -0.436 0.000 0.791 107 P CB 0.404 31.863 31.700 -0.402 0.000 0.978 108 N N -0.976 117.491 118.700 -0.387 0.000 2.815 108 N HA -0.176 4.564 4.740 -0.001 0.000 0.247 108 N C 0.467 176.092 175.510 0.192 0.000 1.030 108 N CA 1.921 54.843 53.050 -0.213 0.000 0.881 108 N CB -1.436 36.702 38.487 -0.581 0.000 1.134 108 N HN 0.860 nan 8.380 nan 0.000 0.582 109 W N -3.173 118.135 121.300 0.013 0.000 1.259 109 W HA 0.256 4.915 4.660 -0.001 0.000 0.143 109 W C 0.374 176.934 176.519 0.068 0.000 0.656 109 W CA 0.109 57.505 57.345 0.086 0.000 0.642 109 W CB -0.547 29.026 29.460 0.189 0.000 0.641 109 W HN 0.035 nan 8.180 nan 0.000 0.504 110 G N 2.620 111.043 108.800 -0.628 0.000 2.684 110 G HA2 0.327 4.286 3.960 -0.001 0.000 0.255 110 G HA3 0.327 4.286 3.960 -0.001 0.000 0.255 110 G C -0.048 174.713 174.900 -0.232 0.000 1.219 110 G CA 0.666 45.393 45.100 -0.622 0.000 0.901 110 G HN 0.029 nan 8.290 nan 0.000 0.548 111 T N -1.827 112.623 114.554 -0.173 0.000 2.860 111 T HA 0.259 4.608 4.350 -0.001 0.000 0.299 111 T C 1.867 176.500 174.700 -0.112 0.000 1.045 111 T CA 0.414 62.456 62.100 -0.096 0.000 1.071 111 T CB 0.656 69.483 68.868 -0.069 0.000 0.985 111 T HN 0.723 nan 8.240 nan 0.000 0.537 112 S N 1.794 117.447 115.700 -0.078 0.000 2.470 112 S HA 0.258 4.727 4.470 -0.001 0.000 0.225 112 S C 1.798 176.355 174.600 -0.070 0.000 1.006 112 S CA 0.627 58.782 58.200 -0.075 0.000 0.934 112 S CB -0.337 62.831 63.200 -0.054 0.000 0.778 112 S HN 1.715 nan 8.310 nan 0.000 0.517 113 G N 0.835 109.595 108.800 -0.067 0.000 2.157 113 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.248 113 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.248 113 G C -0.331 174.544 174.900 -0.042 0.000 0.979 113 G CA 0.118 45.180 45.100 -0.064 0.000 0.650 113 G HN 0.609 nan 8.290 nan 0.000 0.529 114 E N -0.158 120.021 120.200 -0.036 0.000 2.191 114 E HA 0.708 5.058 4.350 -0.001 0.000 0.278 114 E C 0.024 176.610 176.600 -0.023 0.000 0.972 114 E CA -0.542 55.842 56.400 -0.027 0.000 0.804 114 E CB 1.688 31.372 29.700 -0.028 0.000 1.110 114 E HN 0.296 nan 8.360 nan 0.000 0.394 115 L N 1.649 122.860 121.223 -0.020 0.000 2.370 115 L HA 0.382 4.721 4.340 -0.001 0.000 0.266 115 L C 0.264 177.122 176.870 -0.020 0.000 1.002 115 L CA -0.911 53.918 54.840 -0.018 0.000 0.818 115 L CB 2.093 44.145 42.059 -0.013 0.000 1.325 115 L HN 0.590 nan 8.230 nan 0.000 0.418 116 S N 0.709 116.399 115.700 -0.016 0.000 2.624 116 S HA 0.353 4.823 4.470 -0.001 0.000 0.263 116 S C 1.102 175.694 174.600 -0.013 0.000 1.287 116 S CA -0.007 58.184 58.200 -0.014 0.000 0.990 116 S CB 1.484 64.678 63.200 -0.009 0.000 0.950 116 S HN 0.725 nan 8.310 nan 0.000 0.561 117 A N 0.334 123.147 122.820 -0.012 0.000 1.940 117 A HA -0.124 4.196 4.320 -0.001 0.000 0.219 117 A C 2.153 179.744 177.584 0.012 0.000 1.176 117 A CA 1.771 53.804 52.037 -0.007 0.000 0.631 117 A CB -1.194 17.802 19.000 -0.007 0.000 0.814 117 A HN 1.009 nan 8.150 nan 0.000 0.446 118 E N -0.391 119.818 120.200 0.014 0.000 2.072 118 E HA -0.247 4.102 4.350 -0.001 0.000 0.191 118 E C 2.153 178.769 176.600 0.027 0.000 0.985 118 E CA 1.313 57.729 56.400 0.026 0.000 0.801 118 E CB -0.168 29.544 29.700 0.020 0.000 0.750 118 E HN 0.768 nan 8.360 nan 0.000 0.452 119 Q N -0.060 119.745 119.800 0.009 0.000 2.124 119 Q HA -0.137 4.203 4.340 -0.001 0.000 0.202 119 Q C 2.331 178.335 176.000 0.006 0.000 0.977 119 Q CA 1.504 57.307 55.803 -0.001 0.000 0.850 119 Q CB 0.088 28.818 28.738 -0.014 0.000 0.901 119 Q HN 0.207 nan 8.270 nan 0.000 0.429 120 V N 1.498 121.415 119.914 0.006 0.000 2.332 120 V HA -0.275 3.845 4.120 -0.001 0.000 0.248 120 V C 1.506 177.611 176.094 0.018 0.000 1.055 120 V CA 2.040 64.340 62.300 -0.000 0.000 1.038 120 V CB -0.465 31.342 31.823 -0.026 0.000 0.651 120 V HN 0.339 nan 8.190 nan 0.000 0.450 121 D N -0.082 120.357 120.400 0.065 0.000 2.117 121 D HA -0.109 4.530 4.640 -0.001 0.000 0.197 121 D C 2.170 178.586 176.300 0.192 0.000 0.987 121 D CA 1.090 55.197 54.000 0.178 0.000 0.829 121 D CB -0.306 40.626 40.800 0.220 0.000 0.961 121 D HN 0.314 nan 8.370 nan 0.000 0.460 122 L N 0.061 121.351 121.223 0.112 0.000 2.042 122 L HA -0.198 4.141 4.340 -0.001 0.000 0.210 122 L C 2.378 179.307 176.870 0.098 0.000 1.076 122 L CA 0.823 55.719 54.840 0.093 0.000 0.749 122 L CB -0.337 41.737 42.059 0.024 0.000 0.893 122 L HN 0.094 nan 8.230 nan 0.000 0.432 123 M N -0.659 118.974 119.600 0.055 0.000 2.132 123 M HA -0.114 4.366 4.480 -0.001 0.000 0.263 123 M C 2.574 178.952 176.300 0.130 0.000 1.065 123 M CA 1.879 57.215 55.300 0.059 0.000 1.122 123 M CB -1.498 31.122 32.600 0.034 0.000 1.365 123 M HN 0.258 nan 8.290 nan 0.000 0.411 124 A N 0.815 123.687 122.820 0.086 0.000 1.902 124 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 124 A C 2.119 179.834 177.584 0.219 0.000 1.181 124 A CA 1.697 53.757 52.037 0.038 0.000 0.623 124 A CB -0.721 18.094 19.000 -0.309 0.000 0.818 124 A HN 0.497 nan 8.150 nan 0.000 0.443 125 N N -1.498 117.404 118.700 0.337 0.000 2.142 125 N HA -0.159 4.581 4.740 -0.001 0.000 0.186 125 N C 1.652 177.300 175.510 0.230 0.000 1.023 125 N CA 1.662 54.900 53.050 0.313 0.000 0.852 125 N CB -0.544 38.099 38.487 0.261 0.000 0.998 125 N HN 0.677 nan 8.380 nan 0.000 0.424 126 Y N 2.011 122.356 120.300 0.074 0.000 2.165 126 Y HA -0.096 4.453 4.550 -0.001 0.000 0.286 126 Y C 2.197 178.090 175.900 -0.012 0.000 1.155 126 Y CA 1.375 59.483 58.100 0.013 0.000 1.164 126 Y CB -0.402 37.974 38.460 -0.140 0.000 0.978 126 Y HN -0.028 nan 8.280 nan 0.000 0.513 127 L N -0.152 121.146 121.223 0.125 0.000 2.265 127 L HA -0.207 4.133 4.340 -0.001 0.000 0.215 127 L C 1.996 178.840 176.870 -0.044 0.000 1.117 127 L CA 0.874 55.710 54.840 -0.007 0.000 0.782 127 L CB -0.429 41.661 42.059 0.053 0.000 0.914 127 L HN 0.350 nan 8.230 nan 0.000 0.441 128 L N -0.718 120.514 121.223 0.014 0.000 2.509 128 L HA 0.067 4.406 4.340 -0.001 0.000 0.222 128 L C 0.735 177.588 176.870 -0.029 0.000 1.123 128 L CA 0.018 54.869 54.840 0.018 0.000 0.856 128 L CB 0.055 42.166 42.059 0.086 0.000 0.985 128 L HN 0.160 nan 8.230 nan 0.000 0.456 129 L N -0.506 120.675 121.223 -0.070 0.000 2.379 129 L HA 0.215 4.554 4.340 -0.001 0.000 0.269 129 L C -0.028 176.749 176.870 -0.154 0.000 1.084 129 L CA -0.674 54.108 54.840 -0.098 0.000 0.802 129 L CB 0.780 42.800 42.059 -0.065 0.000 1.175 129 L HN -0.036 nan 8.230 nan 0.000 0.448 130 D N 3.729 124.052 120.400 -0.130 0.000 2.382 130 D HA 0.110 4.749 4.640 -0.001 0.000 0.259 130 D C -2.030 174.188 176.300 -0.136 0.000 1.224 130 D CA -0.691 53.239 54.000 -0.117 0.000 0.894 130 D CB 0.758 41.508 40.800 -0.084 0.000 1.127 130 D HN 0.263 nan 8.370 nan 0.000 0.487 131 P HA 0.114 nan 4.420 nan 0.000 0.271 131 P C -0.910 176.380 177.300 -0.017 0.000 1.220 131 P CA -0.414 62.620 63.100 -0.109 0.000 0.768 131 P CB 0.897 32.525 31.700 -0.120 0.000 0.848 132 A N 3.565 126.407 122.820 0.036 0.000 2.328 132 A HA 0.563 4.883 4.320 -0.001 0.000 0.284 132 A C 0.551 178.189 177.584 0.090 0.000 1.160 132 A CA -0.589 51.481 52.037 0.056 0.000 0.818 132 A CB 0.201 19.238 19.000 0.062 0.000 1.087 132 A HN 0.648 nan 8.150 nan 0.000 0.504 133 A N 4.585 127.457 122.820 0.087 0.000 2.450 133 A HA 0.550 4.869 4.320 -0.001 0.000 0.255 133 A C -2.067 175.578 177.584 0.102 0.000 1.096 133 A CA -0.925 51.166 52.037 0.091 0.000 0.778 133 A CB -0.667 18.442 19.000 0.183 0.000 1.031 133 A HN 0.670 nan 8.150 nan 0.000 0.494 134 P HA 0.263 nan 4.420 nan 0.000 0.271 134 P C -2.419 175.069 177.300 0.314 0.000 1.233 134 P CA -0.733 62.381 63.100 0.023 0.000 0.789 134 P CB -0.239 31.187 31.700 -0.456 0.000 0.951 135 P HA 0.063 nan 4.420 nan 0.000 0.269 135 P C -0.055 177.517 177.300 0.454 0.000 1.209 135 P CA 0.259 63.559 63.100 0.333 0.000 0.776 135 P CB 0.396 32.251 31.700 0.259 0.000 0.876 136 E N 0.953 121.323 120.200 0.285 0.000 2.351 136 E HA 0.324 4.673 4.350 -0.001 0.000 0.255 136 E C -0.828 175.896 176.600 0.208 0.000 1.188 136 E CA -0.052 56.456 56.400 0.180 0.000 0.940 136 E CB 0.378 30.123 29.700 0.076 0.000 1.094 136 E HN 0.332 nan 8.360 nan 0.000 0.474 137 F N 0.145 120.078 119.950 -0.030 0.000 3.090 137 F HA 0.376 4.903 4.527 -0.001 0.000 0.381 137 F C 0.182 175.948 175.800 -0.056 0.000 1.231 137 F CA -0.321 57.666 58.000 -0.023 0.000 1.177 137 F CB 0.742 39.728 39.000 -0.022 0.000 1.598 137 F HN 0.415 nan 8.300 nan 0.000 0.589 138 G N 2.462 111.152 108.800 -0.182 0.000 2.606 138 G HA2 0.266 4.226 3.960 -0.001 0.000 0.262 138 G HA3 0.266 4.226 3.960 -0.001 0.000 0.262 138 G C 0.726 175.527 174.900 -0.164 0.000 1.394 138 G CA -0.518 44.505 45.100 -0.129 0.000 1.044 138 G HN 0.538 nan 8.290 nan 0.000 0.553 139 M N -0.221 119.310 119.600 -0.115 0.000 2.108 139 M HA -0.026 4.454 4.480 -0.001 0.000 0.261 139 M C 2.350 178.586 176.300 -0.107 0.000 1.066 139 M CA 1.955 57.196 55.300 -0.100 0.000 1.107 139 M CB -0.483 32.069 32.600 -0.080 0.000 1.356 139 M HN 0.621 nan 8.290 nan 0.000 0.406 140 K N -0.543 119.786 120.400 -0.119 0.000 2.032 140 K HA -0.237 4.082 4.320 -0.001 0.000 0.209 140 K C 1.712 178.219 176.600 -0.155 0.000 1.048 140 K CA 2.087 58.312 56.287 -0.105 0.000 0.927 140 K CB -0.122 32.320 32.500 -0.096 0.000 0.712 140 K HN 0.299 nan 8.250 nan 0.000 0.441 141 E N 0.480 120.487 120.200 -0.320 0.000 2.077 141 E HA -0.164 4.186 4.350 -0.001 0.000 0.193 141 E C 2.005 178.381 176.600 -0.373 0.000 0.989 141 E CA 1.720 57.784 56.400 -0.559 0.000 0.800 141 E CB -0.115 28.780 29.700 -1.341 0.000 0.746 141 E HN 0.355 nan 8.360 nan 0.000 0.452 142 M N -0.135 119.326 119.600 -0.232 0.000 2.086 142 M HA -0.130 4.349 4.480 -0.001 0.000 0.261 142 M C 2.219 178.588 176.300 0.116 0.000 1.067 142 M CA 1.484 56.840 55.300 0.094 0.000 1.116 142 M CB -0.226 32.420 32.600 0.077 0.000 1.348 142 M HN -0.008 nan 8.290 nan 0.000 0.407 143 R N 0.193 120.734 120.500 0.068 0.000 2.120 143 R HA -0.128 4.212 4.340 -0.001 0.000 0.234 143 R C 1.903 178.323 176.300 0.199 0.000 1.123 143 R CA 1.204 57.418 56.100 0.190 0.000 0.975 143 R CB -0.304 30.078 30.300 0.138 0.000 0.866 143 R HN 0.527 nan 8.270 nan 0.000 0.446 144 E N 0.146 120.403 120.200 0.094 0.000 2.204 144 E HA -0.131 4.219 4.350 -0.001 0.000 0.194 144 E C 1.862 178.530 176.600 0.114 0.000 0.989 144 E CA 1.520 57.965 56.400 0.075 0.000 0.824 144 E CB 0.078 29.792 29.700 0.023 0.000 0.756 144 E HN 0.318 nan 8.360 nan 0.000 0.477 145 S N -0.229 115.573 115.700 0.170 0.000 2.524 145 S HA -0.064 4.405 4.470 -0.001 0.000 0.216 145 S C 0.343 175.080 174.600 0.227 0.000 0.987 145 S CA -0.579 57.740 58.200 0.198 0.000 0.909 145 S CB -0.195 63.164 63.200 0.265 0.000 0.781 145 S HN 0.306 nan 8.310 nan 0.000 0.521 146 W N 3.942 125.257 121.300 0.025 0.000 2.368 146 W HA 0.460 5.119 4.660 -0.001 0.000 0.316 146 W C -0.637 175.850 176.519 -0.052 0.000 1.375 146 W CA -1.078 56.263 57.345 -0.007 0.000 1.261 146 W CB 0.046 29.502 29.460 -0.007 0.000 1.298 146 W HN 0.049 nan 8.180 nan 0.000 0.539 147 K N 5.308 125.555 120.400 -0.254 0.000 2.507 147 K HA 0.455 4.775 4.320 -0.001 0.000 0.251 147 K C -1.495 174.708 176.600 -0.660 0.000 0.943 147 K CA -1.089 54.881 56.287 -0.527 0.000 0.794 147 K CB 2.298 34.553 32.500 -0.408 0.000 1.188 147 K HN 0.072 nan 8.250 nan 0.000 0.428 148 V N 4.687 124.189 119.914 -0.687 0.000 2.294 148 V HA 0.098 4.218 4.120 -0.001 0.000 0.272 148 V C 0.824 176.693 176.094 -0.375 0.000 1.027 148 V CA -0.553 61.480 62.300 -0.445 0.000 0.823 148 V CB 0.499 32.111 31.823 -0.351 0.000 1.030 148 V HN 0.820 nan 8.190 nan 0.000 0.457 149 H N 3.165 122.187 119.070 -0.079 0.000 2.395 149 H HA 0.115 4.671 4.556 -0.001 0.000 0.299 149 H C 0.332 175.636 175.328 -0.041 0.000 1.070 149 H CA 1.058 57.073 56.048 -0.054 0.000 1.356 149 H CB 0.637 30.381 29.762 -0.029 0.000 1.401 149 H HN 0.393 nan 8.280 nan 0.000 0.524 150 V N 1.259 121.213 119.914 0.066 0.000 2.447 150 V HA 0.443 4.562 4.120 -0.001 0.000 0.292 150 V C 0.078 176.179 176.094 0.011 0.000 1.021 150 V CA -1.066 61.256 62.300 0.038 0.000 0.850 150 V CB 1.315 33.171 31.823 0.055 0.000 1.005 150 V HN 0.340 nan 8.190 nan 0.000 0.426 151 A N 6.414 129.230 122.820 -0.007 0.000 2.483 151 A HA 0.448 4.768 4.320 -0.001 0.000 0.238 151 A C -1.203 176.390 177.584 0.015 0.000 1.070 151 A CA -0.616 51.415 52.037 -0.010 0.000 0.770 151 A CB 0.033 19.023 19.000 -0.017 0.000 1.008 151 A HN 0.680 nan 8.150 nan 0.000 0.497 152 P HA -0.251 nan 4.420 nan 0.000 0.216 152 P C 1.059 178.384 177.300 0.040 0.000 1.154 152 P CA 2.057 65.178 63.100 0.035 0.000 0.865 152 P CB 0.002 31.715 31.700 0.022 0.000 0.789 153 E N -0.880 119.336 120.200 0.027 0.000 2.267 153 E HA -0.179 4.171 4.350 -0.001 0.000 0.197 153 E C 0.801 177.418 176.600 0.028 0.000 0.998 153 E CA 1.116 57.532 56.400 0.026 0.000 0.830 153 E CB -0.755 28.955 29.700 0.016 0.000 0.751 153 E HN 0.311 nan 8.360 nan 0.000 0.491 154 D N 0.511 120.928 120.400 0.028 0.000 2.349 154 D HA 0.095 4.734 4.640 -0.001 0.000 0.214 154 D C 0.296 176.620 176.300 0.039 0.000 1.063 154 D CA 0.072 54.089 54.000 0.028 0.000 0.847 154 D CB 0.261 41.072 40.800 0.019 0.000 0.933 154 D HN 0.123 nan 8.370 nan 0.000 0.513 155 R N 1.522 122.055 120.500 0.055 0.000 2.543 155 R HA 0.347 4.686 4.340 -0.001 0.000 0.268 155 R C -2.078 174.275 176.300 0.089 0.000 1.067 155 R CA -1.334 54.810 56.100 0.074 0.000 1.142 155 R CB 0.027 30.386 30.300 0.097 0.000 1.110 155 R HN -0.043 nan 8.270 nan 0.000 0.549 156 P HA -0.026 nan 4.420 nan 0.000 0.270 156 P C 0.180 177.613 177.300 0.221 0.000 1.223 156 P CA 0.081 63.260 63.100 0.132 0.000 0.785 156 P CB 0.649 32.426 31.700 0.130 0.000 0.923 157 T N -2.719 111.934 114.554 0.164 0.000 3.086 157 T HA 0.104 4.453 4.350 -0.001 0.000 0.250 157 T C 0.647 175.461 174.700 0.191 0.000 1.074 157 T CA -0.010 62.213 62.100 0.206 0.000 0.988 157 T CB -0.090 68.837 68.868 0.098 0.000 0.988 157 T HN 0.681 nan 8.240 nan 0.000 0.530 158 Q N -0.213 119.557 119.800 -0.050 0.000 2.534 158 Q HA 0.353 4.693 4.340 -0.001 0.000 0.290 158 Q C -1.348 174.164 176.000 -0.814 0.000 0.991 158 Q CA -1.168 54.250 55.803 -0.642 0.000 0.783 158 Q CB 1.093 29.599 28.738 -0.386 0.000 1.470 158 Q HN 0.147 nan 8.270 nan 0.000 0.406 159 Q N 1.186 120.182 119.800 -1.341 0.000 2.255 159 Q HA 0.064 4.404 4.340 -0.001 0.000 0.280 159 Q C -0.038 175.701 176.000 -0.435 0.000 1.068 159 Q CA 0.484 55.710 55.803 -0.961 0.000 0.911 159 Q CB 0.516 28.731 28.738 -0.871 0.000 1.157 159 Q HN 0.761 nan 8.270 nan 0.000 0.380 160 M N 2.444 121.880 119.600 -0.274 0.000 2.414 160 M HA 0.073 4.552 4.480 -0.001 0.000 0.251 160 M C -0.022 176.171 176.300 -0.179 0.000 1.116 160 M CA -0.032 55.159 55.300 -0.181 0.000 1.056 160 M CB 0.102 32.633 32.600 -0.115 0.000 1.388 160 M HN 0.539 nan 8.290 nan 0.000 0.487 161 N N 0.033 118.581 118.700 -0.253 0.000 2.502 161 N HA 0.164 4.904 4.740 -0.001 0.000 0.280 161 N C -0.303 175.120 175.510 -0.146 0.000 1.223 161 N CA -0.601 52.284 53.050 -0.276 0.000 0.966 161 N CB 0.383 38.450 38.487 -0.700 0.000 1.203 161 N HN -0.046 nan 8.380 nan 0.000 0.565 162 D N -1.949 118.469 120.400 0.030 0.000 2.427 162 D HA 0.072 4.712 4.640 -0.001 0.000 0.224 162 D C -0.825 175.640 176.300 0.274 0.000 1.157 162 D CA -0.543 53.526 54.000 0.115 0.000 0.828 162 D CB -0.391 40.472 40.800 0.105 0.000 0.974 162 D HN 0.369 nan 8.370 nan 0.000 0.498 163 W N 1.173 122.471 121.300 -0.004 0.000 2.150 163 W HA 0.297 4.957 4.660 -0.001 0.000 0.341 163 W C 0.773 177.301 176.519 0.015 0.000 1.276 163 W CA -1.119 56.234 57.345 0.014 0.000 1.238 163 W CB 0.054 29.535 29.460 0.036 0.000 1.128 163 W HN -0.103 nan 8.180 nan 0.000 0.581 164 D N 2.695 123.242 120.400 0.245 0.000 2.483 164 D HA 0.101 4.741 4.640 -0.001 0.000 0.220 164 D C 1.228 177.645 176.300 0.195 0.000 1.173 164 D CA 0.086 54.179 54.000 0.155 0.000 0.964 164 D CB 0.141 40.994 40.800 0.089 0.000 1.046 164 D HN 0.304 nan 8.370 nan 0.000 0.517 165 L N 2.091 123.446 121.223 0.222 0.000 2.043 165 L HA -0.184 4.156 4.340 -0.001 0.000 0.212 165 L C 2.076 179.060 176.870 0.189 0.000 1.075 165 L CA 1.178 56.161 54.840 0.238 0.000 0.752 165 L CB -0.256 41.940 42.059 0.229 0.000 0.891 165 L HN 0.382 nan 8.230 nan 0.000 0.432 166 E N -0.274 120.030 120.200 0.173 0.000 2.265 166 E HA -0.206 4.143 4.350 -0.001 0.000 0.196 166 E C 1.193 177.874 176.600 0.134 0.000 0.996 166 E CA 0.848 57.363 56.400 0.192 0.000 0.832 166 E CB -0.139 29.701 29.700 0.233 0.000 0.756 166 E HN 0.358 nan 8.360 nan 0.000 0.491 167 N N 0.297 119.061 118.700 0.106 0.000 2.230 167 N HA 0.034 4.774 4.740 -0.001 0.000 0.202 167 N C -0.385 175.210 175.510 0.141 0.000 1.119 167 N CA -0.146 52.961 53.050 0.096 0.000 0.851 167 N CB 0.314 38.860 38.487 0.099 0.000 0.990 167 N HN -0.012 nan 8.380 nan 0.000 0.497 168 L N 0.487 121.786 121.223 0.126 0.000 2.436 168 L HA 0.391 4.731 4.340 -0.001 0.000 0.265 168 L C -0.924 175.994 176.870 0.080 0.000 1.168 168 L CA 0.122 55.065 54.840 0.172 0.000 0.815 168 L CB 0.232 42.414 42.059 0.205 0.000 1.109 168 L HN -0.085 nan 8.230 nan 0.000 0.462 169 F N 2.399 122.293 119.950 -0.092 0.000 2.467 169 F HA 0.396 4.922 4.527 -0.001 0.000 0.336 169 F C 0.261 176.043 175.800 -0.029 0.000 1.123 169 F CA -0.419 57.476 58.000 -0.176 0.000 0.964 169 F CB 1.893 40.592 39.000 -0.501 0.000 1.136 169 F HN 0.386 nan 8.300 nan 0.000 0.447 170 S N 3.371 119.168 115.700 0.162 0.000 2.422 170 S HA 0.698 5.167 4.470 -0.001 0.000 0.308 170 S C -0.992 173.721 174.600 0.188 0.000 1.097 170 S CA -0.453 57.857 58.200 0.183 0.000 1.099 170 S CB 0.264 63.576 63.200 0.187 0.000 0.976 170 S HN 0.361 nan 8.310 nan 0.000 0.471 171 V N 5.258 125.263 119.914 0.152 0.000 2.448 171 V HA 0.389 4.508 4.120 -0.001 0.000 0.295 171 V C 0.386 176.527 176.094 0.079 0.000 1.025 171 V CA -0.813 61.549 62.300 0.104 0.000 0.859 171 V CB 1.836 33.728 31.823 0.115 0.000 0.988 171 V HN 0.859 nan 8.190 nan 0.000 0.431 172 T N 6.675 121.255 114.554 0.044 0.000 2.799 172 T HA 0.355 4.705 4.350 -0.001 0.000 0.296 172 T C 0.169 174.858 174.700 -0.019 0.000 0.947 172 T CA 0.120 62.226 62.100 0.011 0.000 1.141 172 T CB -0.005 68.843 68.868 -0.034 0.000 0.891 172 T HN 0.396 nan 8.240 nan 0.000 0.533 173 L N 4.705 125.930 121.223 0.002 0.000 2.494 173 L HA 0.357 4.696 4.340 -0.001 0.000 0.251 173 L C 1.885 178.752 176.870 -0.007 0.000 1.119 173 L CA -0.597 54.248 54.840 0.009 0.000 1.026 173 L CB 0.106 42.182 42.059 0.029 0.000 1.370 173 L HN 0.684 nan 8.230 nan 0.000 0.426 174 R N 1.126 121.601 120.500 -0.042 0.000 2.249 174 R HA -0.264 4.076 4.340 -0.001 0.000 0.229 174 R C 1.090 177.365 176.300 -0.042 0.000 1.104 174 R CA 2.821 58.882 56.100 -0.066 0.000 0.876 174 R CB 0.065 30.294 30.300 -0.118 0.000 0.871 174 R HN 0.547 nan 8.270 nan 0.000 0.426 175 D N -0.576 119.824 120.400 0.001 0.000 2.265 175 D HA -0.110 4.530 4.640 -0.001 0.000 0.208 175 D C 1.363 177.648 176.300 -0.025 0.000 0.977 175 D CA 1.392 55.392 54.000 0.001 0.000 0.871 175 D CB -0.102 40.738 40.800 0.066 0.000 0.925 175 D HN 0.488 nan 8.370 nan 0.000 0.485 176 A N -0.270 122.543 122.820 -0.012 0.000 2.218 176 A HA 0.417 4.737 4.320 -0.001 0.000 0.209 176 A C 1.783 179.343 177.584 -0.039 0.000 1.168 176 A CA 0.800 52.823 52.037 -0.023 0.000 0.804 176 A CB -0.328 18.674 19.000 0.002 0.000 0.834 176 A HN 0.218 nan 8.150 nan 0.000 0.482 177 G N -0.704 108.075 108.800 -0.034 0.000 2.246 177 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.273 177 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.273 177 G C -0.094 174.812 174.900 0.009 0.000 1.055 177 G CA 0.691 45.781 45.100 -0.015 0.000 0.851 177 G HN 0.673 nan 8.290 nan 0.000 0.500 178 Q N -1.235 118.573 119.800 0.014 0.000 2.552 178 Q HA 0.822 5.162 4.340 -0.001 0.000 0.289 178 Q C 0.278 176.302 176.000 0.039 0.000 1.097 178 Q CA -0.945 54.875 55.803 0.029 0.000 0.812 178 Q CB 2.180 30.935 28.738 0.028 0.000 1.460 178 Q HN 0.755 nan 8.270 nan 0.000 0.452 179 I N -2.562 118.040 120.570 0.054 0.000 2.730 179 I HA 0.924 5.093 4.170 -0.001 0.000 0.298 179 I C -1.285 174.880 176.117 0.081 0.000 1.089 179 I CA -1.211 60.131 61.300 0.070 0.000 1.041 179 I CB 2.207 40.258 38.000 0.084 0.000 1.235 179 I HN 0.551 nan 8.210 nan 0.000 0.423 180 A N 6.457 129.332 122.820 0.091 0.000 2.303 180 A HA 0.781 5.101 4.320 -0.001 0.000 0.320 180 A C -0.721 176.934 177.584 0.119 0.000 1.192 180 A CA -0.634 51.460 52.037 0.095 0.000 0.821 180 A CB 0.999 20.053 19.000 0.089 0.000 1.188 180 A HN 0.765 nan 8.150 nan 0.000 0.492 181 L N 3.969 125.260 121.223 0.113 0.000 2.255 181 L HA 0.446 4.785 4.340 -0.001 0.000 0.289 181 L C -0.723 176.173 176.870 0.045 0.000 1.046 181 L CA 0.008 54.922 54.840 0.123 0.000 0.816 181 L CB 0.526 42.700 42.059 0.193 0.000 1.197 181 L HN 0.564 nan 8.230 nan 0.000 0.427 182 I N 2.232 122.870 120.570 0.112 0.000 2.433 182 I HA 0.224 4.393 4.170 -0.001 0.000 0.292 182 I C 0.093 176.294 176.117 0.139 0.000 1.001 182 I CA -0.685 60.689 61.300 0.125 0.000 1.119 182 I CB 2.155 40.323 38.000 0.281 0.000 1.289 182 I HN 0.518 nan 8.210 nan 0.000 0.438 183 D N 4.634 125.046 120.400 0.020 0.000 2.450 183 D HA 0.006 4.645 4.640 -0.001 0.000 0.247 183 D C 1.141 177.514 176.300 0.122 0.000 1.162 183 D CA 0.319 54.316 54.000 -0.005 0.000 0.879 183 D CB 1.834 42.547 40.800 -0.145 0.000 1.163 183 D HN 0.824 nan 8.370 nan 0.000 0.472 184 G N 2.280 111.195 108.800 0.192 0.000 2.534 184 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.217 184 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.217 184 G C 1.366 176.303 174.900 0.061 0.000 1.128 184 G CA 0.919 46.204 45.100 0.308 0.000 0.784 184 G HN 0.537 nan 8.290 nan 0.000 0.542 185 S N -0.338 115.251 115.700 -0.184 0.000 2.502 185 S HA -0.031 4.439 4.470 -0.001 0.000 0.228 185 S C 2.168 176.268 174.600 -0.834 0.000 1.061 185 S CA 1.233 59.196 58.200 -0.395 0.000 0.935 185 S CB -0.196 62.895 63.200 -0.181 0.000 0.809 185 S HN 0.361 nan 8.310 nan 0.000 0.510 186 T N -2.606 111.569 114.554 -0.632 0.000 3.057 186 T HA 0.161 4.510 4.350 -0.001 0.000 0.254 186 T C 0.371 174.724 174.700 -0.579 0.000 1.094 186 T CA 0.273 62.034 62.100 -0.566 0.000 1.088 186 T CB -0.759 67.947 68.868 -0.271 0.000 0.934 186 T HN 0.356 nan 8.240 nan 0.000 0.497 187 Y N 0.325 120.537 120.300 -0.147 0.000 4.668 187 Y HA -0.184 4.366 4.550 -0.001 0.000 0.234 187 Y C 0.314 176.155 175.900 -0.097 0.000 1.056 187 Y CA 0.034 58.031 58.100 -0.173 0.000 2.025 187 Y CB -2.756 35.428 38.460 -0.460 0.000 1.613 187 Y HN 0.579 nan 8.280 nan 0.000 0.653 188 E N 1.345 121.525 120.200 -0.033 0.000 2.316 188 E HA 0.379 4.729 4.350 -0.001 0.000 0.275 188 E C 0.027 176.600 176.600 -0.046 0.000 1.029 188 E CA -0.461 55.913 56.400 -0.043 0.000 0.871 188 E CB 0.468 30.106 29.700 -0.104 0.000 1.022 188 E HN 0.350 nan 8.360 nan 0.000 0.418 189 I N 6.355 126.915 120.570 -0.018 0.000 2.406 189 I HA -0.049 4.120 4.170 -0.001 0.000 0.293 189 I C 1.306 177.372 176.117 -0.086 0.000 1.101 189 I CA -0.198 61.092 61.300 -0.018 0.000 1.334 189 I CB 0.470 38.480 38.000 0.017 0.000 1.421 189 I HN 0.457 nan 8.210 nan 0.000 0.513 190 K N 3.120 123.403 120.400 -0.196 0.000 2.103 190 K HA 0.035 4.354 4.320 -0.001 0.000 0.204 190 K C 0.828 177.367 176.600 -0.102 0.000 1.052 190 K CA 0.759 56.835 56.287 -0.353 0.000 0.945 190 K CB -0.015 31.864 32.500 -1.033 0.000 0.722 190 K HN 0.651 nan 8.250 nan 0.000 0.443 191 T N -0.829 113.722 114.554 -0.005 0.000 2.827 191 T HA 0.354 4.704 4.350 -0.001 0.000 0.328 191 T C -1.986 172.768 174.700 0.090 0.000 1.598 191 T CA -0.691 61.469 62.100 0.100 0.000 1.043 191 T CB 1.415 70.424 68.868 0.235 0.000 1.447 191 T HN -0.237 nan 8.240 nan 0.000 0.491 192 V N 4.515 124.478 119.914 0.082 0.000 2.483 192 V HA 0.587 4.706 4.120 -0.001 0.000 0.297 192 V C -0.418 175.717 176.094 0.068 0.000 1.027 192 V CA -0.706 61.636 62.300 0.070 0.000 0.855 192 V CB 1.413 33.267 31.823 0.052 0.000 0.995 192 V HN 0.765 nan 8.190 nan 0.000 0.424 193 L N 3.652 124.916 121.223 0.069 0.000 2.334 193 L HA 0.636 4.976 4.340 -0.001 0.000 0.276 193 L C -0.664 176.231 176.870 0.043 0.000 1.014 193 L CA -0.629 54.245 54.840 0.057 0.000 0.815 193 L CB 2.116 44.214 42.059 0.065 0.000 1.268 193 L HN 0.550 nan 8.230 nan 0.000 0.428 194 D N -0.318 120.101 120.400 0.031 0.000 2.175 194 D HA 0.383 5.023 4.640 -0.001 0.000 0.248 194 D C 0.610 176.929 176.300 0.031 0.000 1.047 194 D CA -0.089 53.927 54.000 0.026 0.000 0.883 194 D CB 1.903 42.713 40.800 0.016 0.000 1.180 194 D HN 0.667 nan 8.370 nan 0.000 0.438 195 T N -1.507 113.071 114.554 0.040 0.000 2.986 195 T HA 0.470 4.820 4.350 -0.001 0.000 0.264 195 T C 1.237 175.987 174.700 0.084 0.000 0.964 195 T CA 0.413 62.549 62.100 0.059 0.000 0.895 195 T CB 0.589 69.496 68.868 0.064 0.000 1.163 195 T HN 0.567 nan 8.240 nan 0.000 0.517 196 G N 1.136 109.975 108.800 0.065 0.000 3.626 196 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.241 196 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.241 196 G C -0.553 174.360 174.900 0.021 0.000 1.824 196 G CA -0.337 44.813 45.100 0.084 0.000 1.511 196 G HN 0.462 nan 8.290 nan 0.000 0.600 197 Y N 1.738 122.042 120.300 0.008 0.000 2.519 197 Y HA 0.706 5.256 4.550 -0.001 0.000 0.324 197 Y C 1.105 176.996 175.900 -0.016 0.000 1.214 197 Y CA -0.027 58.070 58.100 -0.005 0.000 1.260 197 Y CB 1.336 39.789 38.460 -0.011 0.000 1.311 197 Y HN 0.856 nan 8.280 nan 0.000 0.505 198 A N 1.357 124.242 122.820 0.107 0.000 2.566 198 A HA 0.279 4.598 4.320 -0.001 0.000 0.245 198 A C -0.388 177.223 177.584 0.045 0.000 1.056 198 A CA -0.168 51.883 52.037 0.024 0.000 0.757 198 A CB -0.767 18.206 19.000 -0.044 0.000 0.979 198 A HN 0.495 nan 8.150 nan 0.000 0.508 199 V N 3.279 123.211 119.914 0.030 0.000 2.583 199 V HA 0.122 4.241 4.120 -0.001 0.000 0.287 199 V C 1.256 177.374 176.094 0.040 0.000 1.051 199 V CA 0.241 62.566 62.300 0.042 0.000 1.010 199 V CB 1.098 32.944 31.823 0.038 0.000 0.988 199 V HN 1.123 nan 8.190 nan 0.000 0.478 200 H N 4.112 123.164 119.070 -0.030 0.000 2.406 200 H HA 0.398 4.953 4.556 -0.001 0.000 0.304 200 H C 0.312 175.659 175.328 0.032 0.000 1.042 200 H CA 1.254 57.291 56.048 -0.019 0.000 1.360 200 H CB 0.476 30.211 29.762 -0.045 0.000 1.448 200 H HN 0.644 nan 8.280 nan 0.000 0.553 201 I N -2.775 117.802 120.570 0.011 0.000 3.006 201 I HA 0.536 4.705 4.170 -0.001 0.000 0.306 201 I C -0.998 174.997 176.117 -0.204 0.000 1.250 201 I CA -0.981 60.239 61.300 -0.134 0.000 0.996 201 I CB 2.728 40.581 38.000 -0.245 0.000 1.261 201 I HN -0.239 nan 8.210 nan 0.000 0.442 202 S N 2.513 117.935 115.700 -0.465 0.000 2.482 202 S HA 0.736 5.206 4.470 -0.001 0.000 0.303 202 S C -0.626 173.718 174.600 -0.427 0.000 1.091 202 S CA -0.807 57.238 58.200 -0.258 0.000 1.057 202 S CB 1.297 64.500 63.200 0.004 0.000 1.031 202 S HN 0.457 nan 8.310 nan 0.000 0.485 203 R N 1.657 122.070 120.500 -0.145 0.000 2.771 203 R HA 0.546 4.886 4.340 -0.001 0.000 0.274 203 R C -1.492 174.861 176.300 0.089 0.000 0.987 203 R CA -0.808 55.233 56.100 -0.098 0.000 0.908 203 R CB 1.288 31.512 30.300 -0.125 0.000 1.213 203 R HN 0.420 nan 8.270 nan 0.000 0.468 204 L N 1.315 122.586 121.223 0.080 0.000 2.334 204 L HA 0.411 4.750 4.340 -0.001 0.000 0.273 204 L C 0.846 177.811 176.870 0.159 0.000 1.013 204 L CA -0.427 54.503 54.840 0.150 0.000 0.816 204 L CB 1.823 43.933 42.059 0.085 0.000 1.278 204 L HN 0.794 nan 8.230 nan 0.000 0.431 205 S N 1.058 116.911 115.700 0.254 0.000 2.584 205 S HA 0.254 4.723 4.470 -0.001 0.000 0.270 205 S C 1.268 175.920 174.600 0.088 0.000 1.346 205 S CA 0.094 58.414 58.200 0.202 0.000 1.018 205 S CB 1.058 64.458 63.200 0.333 0.000 0.899 205 S HN 0.713 nan 8.310 nan 0.000 0.542 206 A N 1.643 124.493 122.820 0.049 0.000 2.024 206 A HA -0.053 4.266 4.320 -0.001 0.000 0.220 206 A C 2.374 179.972 177.584 0.025 0.000 1.164 206 A CA 1.793 53.842 52.037 0.020 0.000 0.643 206 A CB -1.427 17.577 19.000 0.007 0.000 0.806 206 A HN 1.318 nan 8.150 nan 0.000 0.451 207 S N -2.249 113.468 115.700 0.029 0.000 2.470 207 S HA 0.340 4.810 4.470 -0.001 0.000 0.225 207 S C 1.560 176.177 174.600 0.029 0.000 1.006 207 S CA 1.152 59.364 58.200 0.020 0.000 0.934 207 S CB -0.296 62.888 63.200 -0.028 0.000 0.778 207 S HN 1.902 nan 8.310 nan 0.000 0.517 208 G N 1.703 110.515 108.800 0.021 0.000 2.176 208 G HA2 -0.327 3.633 3.960 -0.001 0.000 0.253 208 G HA3 -0.327 3.633 3.960 -0.001 0.000 0.253 208 G C 0.814 175.697 174.900 -0.030 0.000 0.979 208 G CA 0.432 45.555 45.100 0.038 0.000 0.641 208 G HN 0.587 nan 8.290 nan 0.000 0.530 209 R N -0.928 119.441 120.500 -0.219 0.000 2.080 209 R HA 0.201 4.541 4.340 -0.001 0.000 0.222 209 R C 0.247 176.179 176.300 -0.612 0.000 1.107 209 R CA 0.622 56.344 56.100 -0.629 0.000 0.980 209 R CB 0.026 29.529 30.300 -1.328 0.000 0.879 209 R HN 0.348 nan 8.270 nan 0.000 0.439 210 Y N 0.772 120.964 120.300 -0.180 0.000 2.328 210 Y HA 0.301 4.850 4.550 -0.001 0.000 0.337 210 Y C -0.422 175.389 175.900 -0.148 0.000 1.008 210 Y CA -1.134 56.837 58.100 -0.214 0.000 1.129 210 Y CB 1.529 39.843 38.460 -0.244 0.000 1.185 210 Y HN -0.000 nan 8.280 nan 0.000 0.476 211 L N 5.023 126.204 121.223 -0.069 0.000 2.272 211 L HA 0.595 4.934 4.340 -0.001 0.000 0.289 211 L C -1.717 175.034 176.870 -0.198 0.000 1.032 211 L CA -0.558 54.265 54.840 -0.028 0.000 0.810 211 L CB -0.136 41.933 42.059 0.016 0.000 1.205 211 L HN 0.355 nan 8.230 nan 0.000 0.422 212 F N 5.037 124.995 119.950 0.013 0.000 2.443 212 F HA 0.683 5.210 4.527 -0.001 0.000 0.335 212 F C 0.076 175.854 175.800 -0.038 0.000 1.104 212 F CA -0.631 57.359 58.000 -0.017 0.000 1.013 212 F CB 2.009 40.979 39.000 -0.050 0.000 1.136 212 F HN 0.394 nan 8.300 nan 0.000 0.470 213 V N 2.071 122.060 119.914 0.125 0.000 2.789 213 V HA 0.710 4.829 4.120 -0.001 0.000 0.311 213 V C -1.140 174.987 176.094 0.056 0.000 1.073 213 V CA -0.946 61.392 62.300 0.064 0.000 0.921 213 V CB 1.879 33.732 31.823 0.050 0.000 1.009 213 V HN 0.714 nan 8.190 nan 0.000 0.426 214 I N 3.313 123.898 120.570 0.024 0.000 2.406 214 I HA 0.859 5.029 4.170 -0.001 0.000 0.290 214 I C 0.654 176.779 176.117 0.013 0.000 0.999 214 I CA 0.017 61.320 61.300 0.005 0.000 1.124 214 I CB 1.442 39.420 38.000 -0.037 0.000 1.289 214 I HN 1.025 nan 8.210 nan 0.000 0.441 215 G N 5.600 114.403 108.800 0.005 0.000 2.448 215 G HA2 0.289 4.248 3.960 -0.001 0.000 0.285 215 G HA3 0.289 4.248 3.960 -0.001 0.000 0.285 215 G C 0.420 175.297 174.900 -0.038 0.000 1.176 215 G CA -0.594 44.516 45.100 0.016 0.000 0.852 215 G HN 0.766 nan 8.290 nan 0.000 0.530 216 R N 0.066 120.547 120.500 -0.032 0.000 2.193 216 R HA -0.081 4.258 4.340 -0.001 0.000 0.229 216 R C 1.348 177.565 176.300 -0.139 0.000 1.110 216 R CA 1.383 57.416 56.100 -0.112 0.000 0.988 216 R CB 0.156 30.399 30.300 -0.094 0.000 0.871 216 R HN 0.695 nan 8.270 nan 0.000 0.458 217 D N -0.929 119.388 120.400 -0.138 0.000 2.328 217 D HA 0.030 4.670 4.640 -0.001 0.000 0.226 217 D C 1.084 177.256 176.300 -0.214 0.000 1.066 217 D CA 0.748 54.615 54.000 -0.222 0.000 0.861 217 D CB 0.278 40.836 40.800 -0.402 0.000 0.912 217 D HN 0.252 nan 8.370 nan 0.000 0.521 218 G N 0.381 109.074 108.800 -0.178 0.000 2.175 218 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.244 218 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.244 218 G C 0.213 175.025 174.900 -0.147 0.000 0.982 218 G CA 0.164 45.146 45.100 -0.197 0.000 0.641 218 G HN 0.561 nan 8.290 nan 0.000 0.527 219 K N 0.964 121.310 120.400 -0.091 0.000 2.297 219 K HA 0.610 4.929 4.320 -0.001 0.000 0.286 219 K C 0.068 176.673 176.600 0.008 0.000 1.053 219 K CA -0.396 55.877 56.287 -0.024 0.000 0.940 219 K CB 1.223 33.733 32.500 0.016 0.000 1.019 219 K HN 0.222 nan 8.250 nan 0.000 0.475 220 V N 5.508 125.443 119.914 0.035 0.000 2.459 220 V HA 0.426 4.545 4.120 -0.001 0.000 0.295 220 V C -0.324 175.825 176.094 0.092 0.000 1.029 220 V CA -0.906 61.432 62.300 0.063 0.000 0.874 220 V CB 1.604 33.469 31.823 0.070 0.000 0.985 220 V HN 0.819 nan 8.190 nan 0.000 0.438 221 N N 4.298 123.049 118.700 0.085 0.000 2.284 221 N HA 0.550 5.290 4.740 -0.001 0.000 0.300 221 N C -1.108 174.392 175.510 -0.018 0.000 1.047 221 N CA -0.537 52.549 53.050 0.060 0.000 0.821 221 N CB 2.573 41.092 38.487 0.054 0.000 1.337 221 N HN 0.635 nan 8.380 nan 0.000 0.482 222 M N 3.729 123.271 119.600 -0.096 0.000 2.181 222 M HA 0.493 4.973 4.480 -0.001 0.000 0.323 222 M C -1.613 174.562 176.300 -0.209 0.000 1.004 222 M CA -0.518 54.553 55.300 -0.380 0.000 0.941 222 M CB 0.909 33.250 32.600 -0.433 0.000 1.579 222 M HN 0.443 nan 8.290 nan 0.000 0.427 223 I N 3.747 124.197 120.570 -0.200 0.000 2.404 223 I HA 0.267 4.437 4.170 -0.001 0.000 0.293 223 I C -0.619 175.508 176.117 0.017 0.000 0.992 223 I CA -0.649 60.620 61.300 -0.051 0.000 1.149 223 I CB 1.765 39.751 38.000 -0.024 0.000 1.315 223 I HN 0.583 nan 8.210 nan 0.000 0.446 224 D N 6.702 127.128 120.400 0.044 0.000 2.411 224 D HA 0.211 4.851 4.640 -0.001 0.000 0.225 224 D C 0.766 177.002 176.300 -0.107 0.000 1.156 224 D CA -0.072 53.909 54.000 -0.032 0.000 0.874 224 D CB 0.999 41.829 40.800 0.050 0.000 1.034 224 D HN 0.440 nan 8.370 nan 0.000 0.502 225 L N 2.737 123.863 121.223 -0.162 0.000 2.549 225 L HA -0.020 4.320 4.340 -0.001 0.000 0.229 225 L C 1.158 178.043 176.870 0.024 0.000 1.158 225 L CA 0.187 54.983 54.840 -0.073 0.000 0.842 225 L CB -0.050 42.011 42.059 0.004 0.000 0.952 225 L HN 0.489 nan 8.230 nan 0.000 0.452 226 W N -0.425 120.717 121.300 -0.265 0.000 3.003 226 W HA 0.156 4.816 4.660 -0.001 0.000 0.257 226 W C 1.058 177.436 176.519 -0.234 0.000 1.308 226 W CA -0.831 56.370 57.345 -0.241 0.000 1.529 226 W CB -0.398 28.936 29.460 -0.210 0.000 1.115 226 W HN 0.017 nan 8.180 nan 0.000 0.659 227 M N 0.729 120.319 119.600 -0.018 0.000 2.248 227 M HA -0.023 4.456 4.480 -0.001 0.000 0.337 227 M C 1.910 178.099 176.300 -0.186 0.000 1.121 227 M CA 0.412 55.667 55.300 -0.074 0.000 1.155 227 M CB 0.779 33.344 32.600 -0.058 0.000 1.514 227 M HN -0.181 nan 8.290 nan 0.000 0.452 228 K N 1.416 121.733 120.400 -0.137 0.000 2.074 228 K HA -0.153 4.167 4.320 -0.001 0.000 0.209 228 K C 0.328 176.825 176.600 -0.173 0.000 1.048 228 K CA 1.556 57.752 56.287 -0.151 0.000 0.926 228 K CB 0.236 32.693 32.500 -0.071 0.000 0.713 228 K HN 0.647 nan 8.250 nan 0.000 0.444 229 E N 0.828 120.958 120.200 -0.116 0.000 2.437 229 E HA 0.228 4.577 4.350 -0.001 0.000 0.238 229 E C -2.624 173.933 176.600 -0.072 0.000 0.969 229 E CA -2.589 53.776 56.400 -0.058 0.000 0.759 229 E CB 1.303 31.009 29.700 0.009 0.000 1.283 229 E HN -0.028 nan 8.360 nan 0.000 0.416 230 P HA -0.027 nan 4.420 nan 0.000 0.261 230 P C -0.745 176.556 177.300 0.002 0.000 1.183 230 P CA 0.415 63.463 63.100 -0.087 0.000 0.761 230 P CB 1.083 32.709 31.700 -0.123 0.000 0.785 231 T N 1.532 116.086 114.554 -0.000 0.000 2.787 231 T HA 0.355 4.705 4.350 -0.001 0.000 0.297 231 T C -0.809 173.895 174.700 0.007 0.000 1.221 231 T CA -0.517 61.587 62.100 0.006 0.000 1.006 231 T CB 0.699 69.561 68.868 -0.011 0.000 1.328 231 T HN 0.097 nan 8.240 nan 0.000 0.509 232 T N 2.247 116.801 114.554 -0.001 0.000 2.817 232 T HA 0.250 4.600 4.350 -0.001 0.000 0.295 232 T C 1.611 176.365 174.700 0.091 0.000 0.958 232 T CA 0.192 62.311 62.100 0.031 0.000 1.157 232 T CB 0.532 69.423 68.868 0.039 0.000 0.898 232 T HN 0.621 nan 8.240 nan 0.000 0.536 233 V N 0.657 120.628 119.914 0.096 0.000 3.590 233 V HA 0.708 4.828 4.120 -0.001 0.000 0.265 233 V C 0.603 176.765 176.094 0.114 0.000 1.239 233 V CA 0.321 62.691 62.300 0.116 0.000 1.117 233 V CB -0.717 31.147 31.823 0.068 0.000 0.818 233 V HN 0.944 nan 8.190 nan 0.000 0.451 234 A N 0.774 123.663 122.820 0.115 0.000 2.594 234 A HA 0.766 5.086 4.320 -0.001 0.000 0.296 234 A C -0.915 176.739 177.584 0.117 0.000 1.061 234 A CA -0.186 51.883 52.037 0.053 0.000 0.689 234 A CB 1.499 20.538 19.000 0.065 0.000 1.280 234 A HN 0.664 nan 8.150 nan 0.000 0.406 235 E N 0.768 121.040 120.200 0.120 0.000 2.413 235 E HA 0.860 5.210 4.350 -0.001 0.000 0.277 235 E C -1.410 175.328 176.600 0.230 0.000 0.958 235 E CA -0.764 55.737 56.400 0.168 0.000 0.779 235 E CB 2.174 31.988 29.700 0.191 0.000 1.278 235 E HN 1.016 nan 8.360 nan 0.000 0.456 236 I N 0.140 120.824 120.570 0.189 0.000 2.842 236 I HA 0.333 4.502 4.170 -0.001 0.000 0.296 236 I C -2.022 174.168 176.117 0.123 0.000 1.538 236 I CA -0.743 60.676 61.300 0.199 0.000 0.994 236 I CB 2.224 40.326 38.000 0.170 0.000 1.372 236 I HN 0.673 nan 8.210 nan 0.000 0.478 237 K N 5.176 125.662 120.400 0.145 0.000 2.182 237 K HA 0.525 4.845 4.320 -0.001 0.000 0.262 237 K C -0.038 176.588 176.600 0.044 0.000 0.957 237 K CA -0.478 55.829 56.287 0.033 0.000 0.842 237 K CB 1.309 33.836 32.500 0.045 0.000 1.099 237 K HN 0.575 nan 8.250 nan 0.000 0.438 238 I N -0.304 120.177 120.570 -0.147 0.000 4.154 238 I HA 0.476 4.646 4.170 -0.001 0.000 0.334 238 I C 0.276 176.243 176.117 -0.250 0.000 1.371 238 I CA -0.248 61.001 61.300 -0.084 0.000 1.110 238 I CB 1.144 39.107 38.000 -0.062 0.000 1.085 238 I HN 0.651 nan 8.210 nan 0.000 0.398 239 G N -0.175 108.223 108.800 -0.671 0.000 2.325 239 G HA2 0.325 4.285 3.960 -0.001 0.000 0.295 239 G HA3 0.325 4.285 3.960 -0.001 0.000 0.295 239 G C -0.371 174.175 174.900 -0.591 0.000 1.274 239 G CA 0.133 44.871 45.100 -0.602 0.000 0.857 239 G HN -0.165 nan 8.290 nan 0.000 0.499 240 S N -0.330 115.228 115.700 -0.237 0.000 2.475 240 S HA 0.305 4.774 4.470 -0.001 0.000 0.224 240 S C 0.157 174.706 174.600 -0.086 0.000 1.042 240 S CA 0.553 58.685 58.200 -0.113 0.000 0.935 240 S CB 0.201 63.471 63.200 0.116 0.000 0.801 240 S HN 0.452 nan 8.310 nan 0.000 0.509 241 E N 0.433 120.612 120.200 -0.035 0.000 2.278 241 E HA 0.706 5.056 4.350 -0.001 0.000 0.272 241 E C -1.115 175.401 176.600 -0.139 0.000 0.890 241 E CA -0.317 56.051 56.400 -0.052 0.000 0.770 241 E CB 2.153 31.906 29.700 0.089 0.000 1.212 241 E HN 0.217 nan 8.360 nan 0.000 0.415 242 A N 2.431 125.089 122.820 -0.271 0.000 2.594 242 A HA 0.717 5.036 4.320 -0.001 0.000 0.295 242 A C -0.135 177.179 177.584 -0.450 0.000 1.071 242 A CA -0.578 51.254 52.037 -0.343 0.000 0.685 242 A CB 1.430 20.301 19.000 -0.215 0.000 1.285 242 A HN 0.431 nan 8.150 nan 0.000 0.405 243 R N -0.030 120.180 120.500 -0.483 0.000 2.555 243 R HA 0.208 4.547 4.340 -0.001 0.000 0.312 243 R C -0.004 176.196 176.300 -0.166 0.000 0.938 243 R CA 0.909 56.759 56.100 -0.418 0.000 1.112 243 R CB 0.416 30.329 30.300 -0.644 0.000 1.535 243 R HN 0.921 nan 8.270 nan 0.000 0.525 244 S N -0.082 115.522 115.700 -0.160 0.000 2.570 244 S HA 0.787 5.257 4.470 -0.001 0.000 0.286 244 S C -0.422 174.087 174.600 -0.152 0.000 1.099 244 S CA -0.729 57.400 58.200 -0.120 0.000 0.913 244 S CB 2.556 65.689 63.200 -0.111 0.000 1.085 244 S HN 0.156 nan 8.310 nan 0.000 0.480 245 I N 0.480 120.947 120.570 -0.171 0.000 2.908 245 I HA 0.775 4.945 4.170 -0.001 0.000 0.300 245 I C -2.056 173.901 176.117 -0.267 0.000 1.385 245 I CA -0.258 60.907 61.300 -0.226 0.000 1.004 245 I CB 2.190 40.093 38.000 -0.161 0.000 1.309 245 I HN 0.933 nan 8.210 nan 0.000 0.449 246 E N 2.653 122.627 120.200 -0.376 0.000 2.423 246 E HA 0.570 4.920 4.350 -0.001 0.000 0.280 246 E C -1.562 174.793 176.600 -0.409 0.000 1.030 246 E CA -0.376 55.824 56.400 -0.333 0.000 0.812 246 E CB 1.995 31.533 29.700 -0.269 0.000 1.313 246 E HN 0.654 nan 8.360 nan 0.000 0.456 247 T N -0.909 113.517 114.554 -0.213 0.000 2.932 247 T HA 0.671 5.020 4.350 -0.001 0.000 0.289 247 T C -0.232 174.554 174.700 0.143 0.000 1.039 247 T CA -0.538 61.472 62.100 -0.151 0.000 1.024 247 T CB 1.120 69.877 68.868 -0.186 0.000 1.090 247 T HN 0.557 nan 8.240 nan 0.000 0.496 248 S N 0.841 116.588 115.700 0.079 0.000 2.516 248 S HA 0.283 4.753 4.470 -0.001 0.000 0.282 248 S C 0.233 174.798 174.600 -0.058 0.000 1.286 248 S CA -0.750 57.373 58.200 -0.129 0.000 1.066 248 S CB 0.343 63.294 63.200 -0.414 0.000 0.884 248 S HN 0.817 nan 8.310 nan 0.000 0.491 249 K N 0.961 121.296 120.400 -0.108 0.000 2.469 249 K HA 0.221 4.541 4.320 -0.001 0.000 0.204 249 K C -0.134 176.330 176.600 -0.226 0.000 1.047 249 K CA -0.351 55.805 56.287 -0.219 0.000 1.072 249 K CB 0.384 32.609 32.500 -0.458 0.000 0.863 249 K HN 0.605 nan 8.250 nan 0.000 0.530 250 M N 2.416 121.991 119.600 -0.042 0.000 2.200 250 M HA 0.065 4.544 4.480 -0.001 0.000 0.355 250 M C -0.004 176.390 176.300 0.157 0.000 1.283 250 M CA -0.182 55.134 55.300 0.027 0.000 1.124 250 M CB 0.622 33.238 32.600 0.026 0.000 1.625 250 M HN 0.036 nan 8.290 nan 0.000 0.463 251 E N 3.320 123.576 120.200 0.095 0.000 2.529 251 E HA 0.249 4.598 4.350 -0.001 0.000 0.259 251 E C 0.820 177.489 176.600 0.114 0.000 0.966 251 E CA 1.254 57.703 56.400 0.081 0.000 0.937 251 E CB 0.044 29.767 29.700 0.039 0.000 0.923 251 E HN 0.997 nan 8.360 nan 0.000 0.468 252 G N 3.925 112.738 108.800 0.021 0.000 2.234 252 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.235 252 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.235 252 G C 0.080 174.783 174.900 -0.327 0.000 0.997 252 G CA 0.219 45.232 45.100 -0.145 0.000 0.623 252 G HN 0.656 nan 8.290 nan 0.000 0.514 253 W N 1.898 123.195 121.300 -0.004 0.000 2.926 253 W HA 0.635 5.294 4.660 -0.001 0.000 0.419 253 W C 0.352 176.832 176.519 -0.065 0.000 0.993 253 W CA -0.573 56.769 57.345 -0.005 0.000 2.025 253 W CB 0.497 30.030 29.460 0.123 0.000 1.152 253 W HN 0.139 nan 8.180 nan 0.000 0.659 254 E N 1.201 121.440 120.200 0.066 0.000 2.480 254 E HA -0.038 4.311 4.350 -0.001 0.000 0.258 254 E C 0.672 177.275 176.600 0.005 0.000 0.984 254 E CA 1.011 57.429 56.400 0.031 0.000 0.930 254 E CB 0.088 29.795 29.700 0.013 0.000 0.936 254 E HN 0.056 nan 8.360 nan 0.000 0.466 255 D N 1.916 122.328 120.400 0.020 0.000 3.046 255 D HA -0.207 4.433 4.640 -0.001 0.000 0.210 255 D C 0.831 177.083 176.300 -0.080 0.000 1.124 255 D CA 0.843 54.857 54.000 0.024 0.000 0.986 255 D CB -0.228 40.611 40.800 0.065 0.000 1.118 255 D HN 0.388 nan 8.370 nan 0.000 0.416 256 K N -0.673 119.646 120.400 -0.135 0.000 2.062 256 K HA -0.022 4.298 4.320 -0.001 0.000 0.205 256 K C 0.864 177.052 176.600 -0.686 0.000 1.051 256 K CA 1.321 57.386 56.287 -0.370 0.000 0.941 256 K CB 0.098 32.475 32.500 -0.204 0.000 0.719 256 K HN 0.332 nan 8.250 nan 0.000 0.440 257 Y N -1.559 118.665 120.300 -0.128 0.000 2.615 257 Y HA 0.546 5.096 4.550 -0.001 0.000 0.341 257 Y C -0.615 175.176 175.900 -0.182 0.000 1.089 257 Y CA -1.536 56.474 58.100 -0.150 0.000 1.049 257 Y CB 1.882 40.219 38.460 -0.204 0.000 1.296 257 Y HN -0.067 nan 8.280 nan 0.000 0.470 258 A N 1.607 124.389 122.820 -0.063 0.000 2.498 258 A HA 0.859 5.179 4.320 -0.001 0.000 0.298 258 A C -1.864 175.463 177.584 -0.429 0.000 1.075 258 A CA -0.743 51.039 52.037 -0.426 0.000 0.714 258 A CB 1.665 20.227 19.000 -0.730 0.000 1.299 258 A HN 0.757 nan 8.150 nan 0.000 0.407 259 I N 0.595 120.751 120.570 -0.689 0.000 2.686 259 I HA 0.763 4.932 4.170 -0.001 0.000 0.295 259 I C -0.474 175.372 176.117 -0.453 0.000 1.114 259 I CA -0.729 60.180 61.300 -0.652 0.000 1.038 259 I CB 1.967 39.235 38.000 -1.219 0.000 1.238 259 I HN 0.926 nan 8.210 nan 0.000 0.420 260 A N 4.729 127.388 122.820 -0.269 0.000 2.386 260 A HA 0.866 5.185 4.320 -0.001 0.000 0.311 260 A C -0.548 176.964 177.584 -0.120 0.000 1.068 260 A CA -0.430 51.492 52.037 -0.191 0.000 0.743 260 A CB 1.571 20.488 19.000 -0.139 0.000 1.258 260 A HN 0.855 nan 8.150 nan 0.000 0.429 261 G N -0.060 108.668 108.800 -0.119 0.000 2.420 261 G HA2 0.738 4.697 3.960 -0.001 0.000 0.331 261 G HA3 0.738 4.697 3.960 -0.001 0.000 0.331 261 G C -0.408 174.449 174.900 -0.071 0.000 1.168 261 G CA 0.114 45.181 45.100 -0.056 0.000 0.936 261 G HN 1.545 nan 8.290 nan 0.000 0.479 262 A N 1.010 123.817 122.820 -0.021 0.000 2.401 262 A HA 0.677 4.996 4.320 -0.001 0.000 0.310 262 A C -0.095 177.573 177.584 0.139 0.000 1.075 262 A CA -0.653 51.367 52.037 -0.028 0.000 0.746 262 A CB 1.208 20.161 19.000 -0.077 0.000 1.277 262 A HN 0.619 nan 8.150 nan 0.000 0.425 263 Y N -0.046 120.247 120.300 -0.011 0.000 2.269 263 Y HA 0.112 4.661 4.550 -0.001 0.000 0.294 263 Y C 0.657 176.624 175.900 0.111 0.000 1.120 263 Y CA 0.313 58.443 58.100 0.050 0.000 1.159 263 Y CB 0.222 38.719 38.460 0.062 0.000 1.024 263 Y HN 0.676 nan 8.280 nan 0.000 0.532 264 W N 1.765 123.129 121.300 0.105 0.000 2.968 264 W HA 0.317 4.976 4.660 -0.001 0.000 0.337 264 W C -3.174 173.339 176.519 -0.011 0.000 1.060 264 W CA -2.267 55.095 57.345 0.027 0.000 1.240 264 W CB 2.161 31.608 29.460 -0.022 0.000 1.370 264 W HN -0.149 nan 8.180 nan 0.000 0.459 265 P HA 0.176 nan 4.420 nan 0.000 0.272 265 P C -2.556 174.376 177.300 -0.613 0.000 1.240 265 P CA -0.987 61.306 63.100 -1.346 0.000 0.791 265 P CB 0.296 31.504 31.700 -0.819 0.000 0.978 266 P HA 0.096 nan 4.420 nan 0.000 0.271 266 P C -0.787 176.406 177.300 -0.178 0.000 1.380 266 P CA 0.456 63.429 63.100 -0.211 0.000 0.992 266 P CB -0.269 31.341 31.700 -0.149 0.000 1.230 267 Q N 2.825 122.553 119.800 -0.120 0.000 2.702 267 Q HA 0.477 4.817 4.340 -0.001 0.000 0.289 267 Q C -1.657 174.319 176.000 -0.039 0.000 0.923 267 Q CA -1.081 54.641 55.803 -0.135 0.000 0.787 267 Q CB 1.047 29.668 28.738 -0.195 0.000 1.476 267 Q HN 0.313 nan 8.270 nan 0.000 0.402 268 Y N -1.619 118.619 120.300 -0.104 0.000 2.536 268 Y HA 0.875 5.424 4.550 -0.001 0.000 0.347 268 Y C -1.410 174.413 175.900 -0.127 0.000 1.000 268 Y CA -1.216 56.809 58.100 -0.125 0.000 1.051 268 Y CB 1.883 40.262 38.460 -0.135 0.000 1.259 268 Y HN 0.460 nan 8.280 nan 0.000 0.468 269 V N 3.951 123.895 119.914 0.049 0.000 2.638 269 V HA 0.425 4.544 4.120 -0.001 0.000 0.306 269 V C -0.415 175.654 176.094 -0.043 0.000 1.052 269 V CA -0.958 61.316 62.300 -0.043 0.000 0.885 269 V CB 1.748 33.526 31.823 -0.075 0.000 0.999 269 V HN 0.791 nan 8.190 nan 0.000 0.424 270 I N 5.183 125.726 120.570 -0.046 0.000 2.331 270 I HA 0.521 4.690 4.170 -0.001 0.000 0.292 270 I C -0.140 175.930 176.117 -0.079 0.000 0.998 270 I CA -0.064 61.187 61.300 -0.083 0.000 1.267 270 I CB 1.432 39.383 38.000 -0.083 0.000 1.386 270 I HN 0.501 nan 8.210 nan 0.000 0.476 271 M N 4.530 124.100 119.600 -0.050 0.000 2.662 271 M HA 0.328 4.807 4.480 -0.001 0.000 0.310 271 M C -0.333 176.031 176.300 0.106 0.000 1.204 271 M CA -0.803 54.477 55.300 -0.033 0.000 0.891 271 M CB 1.766 34.314 32.600 -0.088 0.000 1.732 271 M HN 0.438 nan 8.290 nan 0.000 0.467 272 D N 1.061 121.487 120.400 0.043 0.000 2.450 272 D HA 0.019 4.658 4.640 -0.001 0.000 0.247 272 D C 0.859 177.147 176.300 -0.021 0.000 1.162 272 D CA 0.382 54.395 54.000 0.020 0.000 0.879 272 D CB 1.378 42.163 40.800 -0.026 0.000 1.163 272 D HN 0.859 nan 8.370 nan 0.000 0.472 273 G N 3.613 112.354 108.800 -0.099 0.000 2.625 273 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.214 273 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.214 273 G C 1.151 175.996 174.900 -0.092 0.000 1.132 273 G CA 0.297 45.365 45.100 -0.053 0.000 0.782 273 G HN 0.522 nan 8.290 nan 0.000 0.538 274 E N -0.404 119.711 120.200 -0.141 0.000 2.290 274 E HA -0.013 4.337 4.350 -0.001 0.000 0.199 274 E C 2.430 178.937 176.600 -0.154 0.000 0.912 274 E CA 1.413 57.677 56.400 -0.226 0.000 0.924 274 E CB 0.253 29.880 29.700 -0.121 0.000 0.901 274 E HN 0.527 nan 8.360 nan 0.000 0.487 275 T N -2.422 112.127 114.554 -0.009 0.000 2.975 275 T HA 0.266 4.615 4.350 -0.001 0.000 0.261 275 T C 1.159 176.024 174.700 0.274 0.000 0.984 275 T CA -0.179 62.008 62.100 0.144 0.000 0.911 275 T CB 0.484 69.520 68.868 0.280 0.000 1.127 275 T HN 0.093 nan 8.240 nan 0.000 0.514 276 L N 0.202 121.488 121.223 0.104 0.000 4.800 276 L HA -0.152 4.187 4.340 -0.001 0.000 0.412 276 L C 0.345 177.003 176.870 -0.352 0.000 1.063 276 L CA 0.491 55.342 54.840 0.018 0.000 1.114 276 L CB -1.773 40.374 42.059 0.145 0.000 2.089 276 L HN 0.567 nan 8.230 nan 0.000 0.686 277 E N 3.704 123.617 120.200 -0.479 0.000 2.480 277 E HA 0.043 4.393 4.350 -0.001 0.000 0.258 277 E C -1.886 174.330 176.600 -0.641 0.000 0.984 277 E CA -1.247 54.471 56.400 -1.136 0.000 0.930 277 E CB 0.688 29.969 29.700 -0.698 0.000 0.936 277 E HN 0.083 nan 8.360 nan 0.000 0.466 278 P HA 0.008 nan 4.420 nan 0.000 0.276 278 P C -0.572 176.588 177.300 -0.234 0.000 1.253 278 P CA -0.084 62.818 63.100 -0.330 0.000 0.766 278 P CB 1.168 32.704 31.700 -0.273 0.000 0.845 279 K N 2.059 122.371 120.400 -0.146 0.000 2.306 279 K HA 0.154 4.474 4.320 -0.001 0.000 0.200 279 K C 0.539 177.084 176.600 -0.092 0.000 1.083 279 K CA 0.821 57.052 56.287 -0.094 0.000 0.959 279 K CB 0.239 32.724 32.500 -0.026 0.000 0.994 279 K HN 0.298 nan 8.250 nan 0.000 0.492 280 K N 0.800 121.138 120.400 -0.104 0.000 2.553 280 K HA 0.427 4.747 4.320 -0.001 0.000 0.250 280 K C -1.553 174.962 176.600 -0.143 0.000 0.953 280 K CA -0.118 56.102 56.287 -0.110 0.000 0.800 280 K CB 1.162 33.603 32.500 -0.097 0.000 1.243 280 K HN -0.105 nan 8.250 nan 0.000 0.435 281 I N 3.909 124.378 120.570 -0.169 0.000 2.378 281 I HA 0.385 4.554 4.170 -0.001 0.000 0.291 281 I C -0.424 175.501 176.117 -0.320 0.000 0.992 281 I CA -0.861 60.303 61.300 -0.226 0.000 1.154 281 I CB 1.766 39.671 38.000 -0.157 0.000 1.315 281 I HN 0.322 nan 8.210 nan 0.000 0.448 282 Q N 4.329 123.791 119.800 -0.564 0.000 2.325 282 Q HA 0.325 4.664 4.340 -0.001 0.000 0.270 282 Q C -0.546 175.155 176.000 -0.499 0.000 1.020 282 Q CA -0.457 54.974 55.803 -0.619 0.000 0.785 282 Q CB 2.446 30.548 28.738 -1.060 0.000 1.259 282 Q HN 0.695 nan 8.270 nan 0.000 0.452 283 S N 1.033 116.570 115.700 -0.272 0.000 2.564 283 S HA 0.192 4.661 4.470 -0.001 0.000 0.278 283 S C 0.902 175.431 174.600 -0.118 0.000 1.333 283 S CA 0.115 58.209 58.200 -0.176 0.000 1.048 283 S CB 0.470 63.605 63.200 -0.108 0.000 0.900 283 S HN 0.643 nan 8.310 nan 0.000 0.505 284 T N 1.942 116.452 114.554 -0.074 0.000 3.069 284 T HA 0.314 4.663 4.350 -0.001 0.000 0.252 284 T C 0.524 175.214 174.700 -0.017 0.000 1.053 284 T CA -0.357 61.735 62.100 -0.012 0.000 0.964 284 T CB -0.143 68.739 68.868 0.022 0.000 1.005 284 T HN 0.579 nan 8.240 nan 0.000 0.532 285 R N 1.124 121.615 120.500 -0.014 0.000 2.570 285 R HA 0.544 4.883 4.340 -0.001 0.000 0.277 285 R C 0.808 177.141 176.300 0.055 0.000 1.039 285 R CA 0.770 56.873 56.100 0.004 0.000 1.065 285 R CB 0.435 30.796 30.300 0.103 0.000 0.964 285 R HN 0.546 nan 8.270 nan 0.000 0.428 286 G N 1.450 110.231 108.800 -0.032 0.000 2.335 286 G HA2 0.192 4.151 3.960 -0.001 0.000 0.291 286 G HA3 0.192 4.151 3.960 -0.001 0.000 0.291 286 G C -1.490 173.422 174.900 0.021 0.000 1.261 286 G CA -0.923 44.229 45.100 0.086 0.000 0.871 286 G HN 0.235 nan 8.290 nan 0.000 0.491 287 M N 1.975 121.623 119.600 0.081 0.000 2.277 287 M HA 0.384 4.864 4.480 -0.001 0.000 0.350 287 M C 0.926 177.241 176.300 0.024 0.000 1.180 287 M CA -0.627 54.713 55.300 0.066 0.000 1.103 287 M CB 0.567 33.215 32.600 0.081 0.000 1.577 287 M HN 0.801 nan 8.290 nan 0.000 0.459 288 T N -0.064 114.493 114.554 0.005 0.000 2.926 288 T HA 0.087 4.436 4.350 -0.001 0.000 0.307 288 T C 1.033 175.715 174.700 -0.030 0.000 1.059 288 T CA -0.282 61.803 62.100 -0.025 0.000 1.122 288 T CB 0.252 69.082 68.868 -0.064 0.000 0.972 288 T HN 0.683 nan 8.240 nan 0.000 0.545 289 Y N 2.021 122.287 120.300 -0.057 0.000 2.242 289 Y HA -0.077 4.473 4.550 -0.001 0.000 0.291 289 Y C 1.764 177.646 175.900 -0.030 0.000 1.137 289 Y CA 1.636 59.711 58.100 -0.042 0.000 1.181 289 Y CB -0.598 37.830 38.460 -0.053 0.000 0.989 289 Y HN 0.703 nan 8.280 nan 0.000 0.527 290 D N -0.042 119.627 120.400 -1.219 0.000 2.290 290 D HA -0.109 4.530 4.640 -0.001 0.000 0.224 290 D C 1.432 177.510 176.300 -0.370 0.000 0.967 290 D CA 1.380 54.843 54.000 -0.895 0.000 0.893 290 D CB -0.850 39.299 40.800 -1.086 0.000 1.037 290 D HN 0.600 nan 8.370 nan 0.000 0.477 291 E N 0.074 120.105 120.200 -0.282 0.000 2.478 291 E HA 0.030 4.379 4.350 -0.001 0.000 0.194 291 E C -0.164 176.383 176.600 -0.089 0.000 1.045 291 E CA -0.089 56.227 56.400 -0.140 0.000 0.868 291 E CB -0.032 29.611 29.700 -0.095 0.000 0.885 291 E HN 0.251 nan 8.360 nan 0.000 0.505 292 Q N 1.269 121.010 119.800 -0.098 0.000 2.439 292 Q HA -0.228 4.111 4.340 -0.001 0.000 0.361 292 Q C -0.476 175.527 176.000 0.005 0.000 1.408 292 Q CA 0.852 56.635 55.803 -0.035 0.000 1.052 292 Q CB -1.579 27.145 28.738 -0.024 0.000 1.233 292 Q HN 0.450 nan 8.270 nan 0.000 0.347 293 E N 0.488 120.699 120.200 0.018 0.000 2.266 293 E HA 0.390 4.740 4.350 -0.001 0.000 0.268 293 E C -1.076 175.584 176.600 0.099 0.000 0.879 293 E CA -0.978 55.456 56.400 0.057 0.000 0.762 293 E CB 1.081 30.801 29.700 0.034 0.000 1.199 293 E HN 0.242 nan 8.360 nan 0.000 0.422 294 Y N 3.406 123.720 120.300 0.022 0.000 2.610 294 Y HA 0.088 4.637 4.550 -0.001 0.000 0.332 294 Y C -0.805 175.128 175.900 0.055 0.000 1.201 294 Y CA 0.440 58.564 58.100 0.040 0.000 1.465 294 Y CB 0.491 38.964 38.460 0.021 0.000 1.283 294 Y HN 0.549 nan 8.280 nan 0.000 0.563 295 H N 8.619 127.214 119.070 -0.791 0.000 2.589 295 H HA 0.279 4.834 4.556 -0.001 0.000 0.335 295 H C -2.258 172.562 175.328 -0.848 0.000 1.019 295 H CA -2.421 53.293 56.048 -0.557 0.000 1.213 295 H CB 2.401 31.997 29.762 -0.277 0.000 1.472 295 H HN 0.507 nan 8.280 nan 0.000 0.508 296 P HA 0.052 nan 4.420 nan 0.000 0.249 296 P C 0.112 177.499 177.300 0.146 0.000 1.229 296 P CA 0.522 63.556 63.100 -0.109 0.000 0.788 296 P CB 0.725 32.505 31.700 0.134 0.000 1.072 297 E N 0.627 121.023 120.200 0.327 0.000 3.909 297 E HA 0.278 4.628 4.350 -0.001 0.000 0.236 297 E C -2.694 174.001 176.600 0.157 0.000 1.222 297 E CA -1.895 54.696 56.400 0.318 0.000 1.205 297 E CB 0.943 30.881 29.700 0.397 0.000 1.249 297 E HN 0.085 nan 8.360 nan 0.000 0.411 298 P HA 0.195 nan 4.420 nan 0.000 0.280 298 P C -0.869 176.400 177.300 -0.052 0.000 1.386 298 P CA -0.258 62.756 63.100 -0.143 0.000 0.899 298 P CB 0.353 31.966 31.700 -0.146 0.000 1.098 299 R N 1.861 122.329 120.500 -0.053 0.000 2.543 299 R HA 0.281 4.620 4.340 -0.001 0.000 0.277 299 R C -0.129 176.223 176.300 0.087 0.000 1.074 299 R CA -0.645 55.465 56.100 0.016 0.000 1.076 299 R CB 0.441 30.619 30.300 -0.202 0.000 0.993 299 R HN 0.216 nan 8.270 nan 0.000 0.459 300 V N 3.223 123.244 119.914 0.178 0.000 2.461 300 V HA 0.238 4.357 4.120 -0.001 0.000 0.275 300 V C 0.713 176.933 176.094 0.210 0.000 1.047 300 V CA 0.161 62.543 62.300 0.136 0.000 0.955 300 V CB 0.874 32.754 31.823 0.094 0.000 0.988 300 V HN 1.009 nan 8.190 nan 0.000 0.471 301 A N 4.987 127.891 122.820 0.140 0.000 3.711 301 A HA 0.891 5.210 4.320 -0.001 0.000 0.185 301 A C 0.946 178.528 177.584 -0.004 0.000 1.697 301 A CA 0.226 52.340 52.037 0.128 0.000 1.787 301 A CB -0.469 18.598 19.000 0.110 0.000 1.545 301 A HN 1.072 nan 8.150 nan 0.000 0.553 302 A N -0.602 122.185 122.820 -0.056 0.000 2.483 302 A HA 0.513 4.832 4.320 -0.001 0.000 0.238 302 A C -0.329 177.213 177.584 -0.071 0.000 1.070 302 A CA 0.410 52.419 52.037 -0.046 0.000 0.770 302 A CB -0.484 18.524 19.000 0.013 0.000 1.008 302 A HN 0.520 nan 8.150 nan 0.000 0.497 303 I N 1.873 122.369 120.570 -0.122 0.000 2.499 303 I HA 0.341 4.511 4.170 -0.001 0.000 0.288 303 I C -0.983 175.020 176.117 -0.191 0.000 1.048 303 I CA -0.367 60.810 61.300 -0.205 0.000 1.062 303 I CB 1.730 39.566 38.000 -0.273 0.000 1.238 303 I HN 0.465 nan 8.210 nan 0.000 0.426 304 L N 4.882 125.962 121.223 -0.238 0.000 2.235 304 L HA 0.892 5.231 4.340 -0.001 0.000 0.260 304 L C -0.180 176.651 176.870 -0.065 0.000 1.025 304 L CA -0.538 54.204 54.840 -0.163 0.000 0.836 304 L CB 1.755 43.664 42.059 -0.250 0.000 1.395 304 L HN 0.640 nan 8.230 nan 0.000 0.443 305 A N -0.067 122.747 122.820 -0.010 0.000 2.356 305 A HA 0.672 4.991 4.320 -0.001 0.000 0.310 305 A C -0.572 176.961 177.584 -0.086 0.000 1.075 305 A CA -0.454 51.596 52.037 0.021 0.000 0.746 305 A CB 1.442 20.474 19.000 0.054 0.000 1.221 305 A HN 0.496 nan 8.150 nan 0.000 0.443 306 S N 0.450 116.078 115.700 -0.121 0.000 2.572 306 S HA 0.191 4.660 4.470 -0.001 0.000 0.279 306 S C 0.553 175.090 174.600 -0.106 0.000 1.341 306 S CA -0.139 58.021 58.200 -0.067 0.000 1.043 306 S CB 0.051 63.180 63.200 -0.119 0.000 0.887 306 S HN 0.714 nan 8.310 nan 0.000 0.516 307 H N 3.065 122.157 119.070 0.036 0.000 2.705 307 H HA 0.123 4.678 4.556 -0.001 0.000 0.269 307 H C 0.256 175.568 175.328 -0.025 0.000 0.998 307 H CA 0.356 56.417 56.048 0.022 0.000 1.193 307 H CB 0.354 30.151 29.762 0.059 0.000 1.485 307 H HN 0.699 nan 8.280 nan 0.000 0.521 308 Y N 0.621 120.934 120.300 0.022 0.000 2.503 308 Y HA 0.217 4.767 4.550 -0.001 0.000 0.277 308 Y C 0.783 176.633 175.900 -0.082 0.000 1.102 308 Y CA 0.389 58.472 58.100 -0.028 0.000 1.261 308 Y CB 0.823 39.247 38.460 -0.060 0.000 1.096 308 Y HN -0.131 nan 8.280 nan 0.000 0.546 309 R N -0.121 120.368 120.500 -0.018 0.000 2.774 309 R HA 0.303 4.642 4.340 -0.001 0.000 0.272 309 R C -2.786 173.296 176.300 -0.363 0.000 1.000 309 R CA -2.071 53.929 56.100 -0.165 0.000 0.906 309 R CB 1.466 31.660 30.300 -0.177 0.000 1.227 309 R HN -0.296 nan 8.270 nan 0.000 0.468 310 P HA 0.099 nan 4.420 nan 0.000 0.237 310 P C -1.177 175.061 177.300 -1.770 0.000 1.788 310 P CA 0.319 62.669 63.100 -1.250 0.000 1.061 310 P CB 0.165 30.962 31.700 -1.504 0.000 1.967 311 E N 0.777 120.323 120.200 -1.090 0.000 2.393 311 E HA 0.519 4.869 4.350 -0.001 0.000 0.273 311 E C -0.941 175.372 176.600 -0.478 0.000 0.918 311 E CA -0.795 55.133 56.400 -0.787 0.000 0.773 311 E CB 1.391 30.822 29.700 -0.449 0.000 1.275 311 E HN 0.049 nan 8.360 nan 0.000 0.451 312 F N 1.078 120.937 119.950 -0.151 0.000 2.425 312 F HA 0.473 4.999 4.527 -0.001 0.000 0.331 312 F C 0.156 175.787 175.800 -0.282 0.000 1.085 312 F CA -0.793 57.101 58.000 -0.177 0.000 1.028 312 F CB 0.931 39.814 39.000 -0.194 0.000 1.177 312 F HN 0.227 nan 8.300 nan 0.000 0.487 313 I N 3.540 124.039 120.570 -0.119 0.000 2.354 313 I HA 0.361 4.530 4.170 -0.001 0.000 0.286 313 I C -1.093 174.826 176.117 -0.329 0.000 1.007 313 I CA -0.662 60.449 61.300 -0.315 0.000 1.167 313 I CB 1.171 38.824 38.000 -0.579 0.000 1.320 313 I HN 0.115 nan 8.210 nan 0.000 0.458 314 V N 5.750 125.495 119.914 -0.281 0.000 2.384 314 V HA 0.340 4.459 4.120 -0.001 0.000 0.287 314 V C -0.046 175.970 176.094 -0.129 0.000 1.020 314 V CA -0.806 61.337 62.300 -0.261 0.000 0.850 314 V CB 1.502 33.067 31.823 -0.430 0.000 0.987 314 V HN 0.584 nan 8.190 nan 0.000 0.436 315 N N 3.097 121.763 118.700 -0.057 0.000 2.444 315 N HA 0.427 5.167 4.740 -0.001 0.000 0.271 315 N C -0.655 174.862 175.510 0.010 0.000 1.069 315 N CA -0.120 52.944 53.050 0.024 0.000 0.965 315 N CB 1.870 40.409 38.487 0.085 0.000 1.092 315 N HN 0.447 nan 8.380 nan 0.000 0.476 316 V N 3.744 123.659 119.914 0.001 0.000 2.326 316 V HA 0.181 4.301 4.120 -0.001 0.000 0.281 316 V C 1.504 177.576 176.094 -0.035 0.000 1.015 316 V CA -0.717 61.578 62.300 -0.007 0.000 0.823 316 V CB 1.358 33.174 31.823 -0.011 0.000 1.009 316 V HN 0.674 nan 8.190 nan 0.000 0.436 317 K N 3.420 123.808 120.400 -0.020 0.000 1.971 317 K HA -0.218 4.102 4.320 -0.001 0.000 0.221 317 K C 1.672 178.154 176.600 -0.195 0.000 1.050 317 K CA 2.367 58.634 56.287 -0.034 0.000 0.967 317 K CB 0.130 32.655 32.500 0.041 0.000 0.733 317 K HN 0.694 nan 8.250 nan 0.000 0.445 318 E N -0.379 119.646 120.200 -0.293 0.000 2.204 318 E HA -0.133 4.217 4.350 -0.001 0.000 0.195 318 E C 1.781 178.095 176.600 -0.476 0.000 0.990 318 E CA 1.866 57.947 56.400 -0.530 0.000 0.821 318 E CB -0.092 29.101 29.700 -0.844 0.000 0.750 318 E HN 0.639 nan 8.360 nan 0.000 0.477 319 T N -3.837 110.535 114.554 -0.303 0.000 3.065 319 T HA 0.231 4.581 4.350 -0.001 0.000 0.252 319 T C 1.522 176.214 174.700 -0.013 0.000 1.099 319 T CA 0.209 62.223 62.100 -0.144 0.000 1.063 319 T CB 0.235 69.047 68.868 -0.093 0.000 0.948 319 T HN 0.222 nan 8.240 nan 0.000 0.506 320 G N 2.144 110.899 108.800 -0.075 0.000 2.272 320 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.280 320 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.280 320 G C -0.320 174.517 174.900 -0.105 0.000 1.067 320 G CA -0.226 44.832 45.100 -0.070 0.000 0.902 320 G HN 0.555 nan 8.290 nan 0.000 0.500 321 K N -0.174 120.188 120.400 -0.062 0.000 2.270 321 K HA 0.650 4.969 4.320 -0.001 0.000 0.255 321 K C 0.126 176.700 176.600 -0.044 0.000 0.936 321 K CA -0.836 55.421 56.287 -0.050 0.000 0.809 321 K CB 2.194 34.687 32.500 -0.013 0.000 1.131 321 K HN 0.251 nan 8.250 nan 0.000 0.427 322 I N 4.043 124.586 120.570 -0.046 0.000 2.378 322 I HA 0.320 4.490 4.170 -0.001 0.000 0.291 322 I C -0.264 175.824 176.117 -0.047 0.000 0.992 322 I CA -0.834 60.454 61.300 -0.020 0.000 1.154 322 I CB 1.025 39.043 38.000 0.030 0.000 1.315 322 I HN 0.230 nan 8.210 nan 0.000 0.448 323 L N 7.089 128.266 121.223 -0.076 0.000 2.307 323 L HA 0.538 4.878 4.340 -0.001 0.000 0.284 323 L C -0.632 176.156 176.870 -0.136 0.000 1.023 323 L CA -0.669 54.116 54.840 -0.091 0.000 0.810 323 L CB 1.430 43.437 42.059 -0.087 0.000 1.231 323 L HN 0.416 nan 8.230 nan 0.000 0.423 324 L N 4.530 125.682 121.223 -0.119 0.000 2.295 324 L HA 0.444 4.783 4.340 -0.001 0.000 0.281 324 L C -0.630 176.156 176.870 -0.140 0.000 1.018 324 L CA -0.659 54.093 54.840 -0.146 0.000 0.841 324 L CB 1.687 43.662 42.059 -0.140 0.000 1.218 324 L HN 0.324 nan 8.230 nan 0.000 0.424 325 V N 1.810 121.636 119.914 -0.147 0.000 2.350 325 V HA 0.182 4.302 4.120 -0.001 0.000 0.276 325 V C 0.057 176.021 176.094 -0.216 0.000 1.028 325 V CA -0.644 61.588 62.300 -0.113 0.000 0.860 325 V CB 1.661 33.462 31.823 -0.037 0.000 0.990 325 V HN 0.590 nan 8.190 nan 0.000 0.453 326 D N 4.352 124.598 120.400 -0.257 0.000 2.336 326 D HA 0.085 4.725 4.640 -0.001 0.000 0.249 326 D C 0.354 176.414 176.300 -0.401 0.000 1.213 326 D CA -0.301 53.442 54.000 -0.429 0.000 0.870 326 D CB 1.122 41.732 40.800 -0.317 0.000 1.076 326 D HN 0.663 nan 8.370 nan 0.000 0.483 327 Y N 1.183 121.187 120.300 -0.493 0.000 2.470 327 Y HA 0.133 4.682 4.550 -0.001 0.000 0.284 327 Y C 1.873 177.471 175.900 -0.503 0.000 1.188 327 Y CA 0.026 57.799 58.100 -0.546 0.000 1.269 327 Y CB -0.750 37.279 38.460 -0.718 0.000 1.094 327 Y HN 0.223 nan 8.280 nan 0.000 0.518 328 T N -3.565 110.744 114.554 -0.407 0.000 3.023 328 T HA -0.031 4.319 4.350 -0.001 0.000 0.266 328 T C 0.171 174.899 174.700 0.047 0.000 1.093 328 T CA 0.884 62.881 62.100 -0.173 0.000 1.129 328 T CB -0.001 68.789 68.868 -0.130 0.000 0.899 328 T HN 0.315 nan 8.240 nan 0.000 0.491 329 D N 0.012 120.393 120.400 -0.032 0.000 2.478 329 D HA 0.265 4.904 4.640 -0.001 0.000 0.240 329 D C 0.406 176.686 176.300 -0.033 0.000 1.364 329 D CA -0.480 53.522 54.000 0.004 0.000 0.987 329 D CB 1.121 41.919 40.800 -0.003 0.000 1.328 329 D HN 0.169 nan 8.370 nan 0.000 0.584 330 L N 2.642 123.852 121.223 -0.023 0.000 2.591 330 L HA 0.215 4.554 4.340 -0.001 0.000 0.228 330 L C 1.465 178.315 176.870 -0.034 0.000 1.133 330 L CA 0.305 55.115 54.840 -0.050 0.000 0.880 330 L CB -0.054 41.962 42.059 -0.072 0.000 1.033 330 L HN 0.245 nan 8.230 nan 0.000 0.450 331 N N -0.382 118.308 118.700 -0.016 0.000 2.436 331 N HA 0.027 4.767 4.740 -0.001 0.000 0.178 331 N C 0.349 175.847 175.510 -0.020 0.000 1.026 331 N CA 0.247 53.287 53.050 -0.016 0.000 0.880 331 N CB 0.406 38.891 38.487 -0.003 0.000 1.061 331 N HN 0.203 nan 8.380 nan 0.000 0.434 332 N N 1.738 120.427 118.700 -0.019 0.000 3.044 332 N HA 0.123 4.863 4.740 -0.001 0.000 0.254 332 N C -1.295 174.195 175.510 -0.033 0.000 1.253 332 N CA -0.237 52.799 53.050 -0.022 0.000 0.944 332 N CB 1.158 39.635 38.487 -0.016 0.000 1.217 332 N HN 0.114 nan 8.380 nan 0.000 0.498 333 L N 1.742 122.943 121.223 -0.037 0.000 2.456 333 L HA 0.100 4.439 4.340 -0.001 0.000 0.277 333 L C 0.310 177.153 176.870 -0.046 0.000 1.124 333 L CA 0.315 55.129 54.840 -0.044 0.000 0.880 333 L CB 0.079 42.116 42.059 -0.037 0.000 1.192 333 L HN 0.049 nan 8.230 nan 0.000 0.463 334 K N 3.807 124.167 120.400 -0.066 0.000 2.227 334 K HA 0.478 4.798 4.320 -0.001 0.000 0.280 334 K C -0.244 176.312 176.600 -0.074 0.000 1.041 334 K CA -0.305 55.940 56.287 -0.071 0.000 0.905 334 K CB 1.029 33.474 32.500 -0.092 0.000 1.068 334 K HN 0.753 nan 8.250 nan 0.000 0.470 335 T N -1.163 113.359 114.554 -0.054 0.000 2.903 335 T HA 0.399 4.749 4.350 -0.001 0.000 0.299 335 T C -0.422 174.249 174.700 -0.050 0.000 1.093 335 T CA -0.787 61.284 62.100 -0.048 0.000 1.002 335 T CB 1.815 70.680 68.868 -0.005 0.000 1.127 335 T HN 0.254 nan 8.240 nan 0.000 0.488 336 T N 1.985 116.504 114.554 -0.059 0.000 2.815 336 T HA 0.421 4.771 4.350 -0.001 0.000 0.289 336 T C -0.646 174.027 174.700 -0.045 0.000 1.000 336 T CA -0.586 61.481 62.100 -0.054 0.000 0.958 336 T CB 1.179 70.005 68.868 -0.070 0.000 0.944 336 T HN 0.801 nan 8.240 nan 0.000 0.442 337 E N 4.661 124.844 120.200 -0.028 0.000 2.014 337 E HA 0.293 4.643 4.350 -0.001 0.000 0.275 337 E C -0.626 175.959 176.600 -0.025 0.000 0.997 337 E CA -0.451 55.938 56.400 -0.019 0.000 0.804 337 E CB 0.314 30.014 29.700 -0.000 0.000 1.090 337 E HN 0.586 nan 8.360 nan 0.000 0.401 338 I N 3.618 124.164 120.570 -0.040 0.000 2.312 338 I HA 0.078 4.247 4.170 -0.001 0.000 0.291 338 I C 0.241 176.314 176.117 -0.073 0.000 1.031 338 I CA -0.387 60.880 61.300 -0.055 0.000 1.293 338 I CB 1.446 39.405 38.000 -0.068 0.000 1.403 338 I HN 0.381 nan 8.210 nan 0.000 0.484 339 S N 5.249 120.912 115.700 -0.062 0.000 2.498 339 S HA 0.391 4.860 4.470 -0.001 0.000 0.281 339 S C 0.594 175.019 174.600 -0.291 0.000 1.265 339 S CA -0.224 57.921 58.200 -0.092 0.000 1.071 339 S CB 1.153 64.392 63.200 0.066 0.000 0.894 339 S HN 0.800 nan 8.310 nan 0.000 0.491 340 A N 3.514 126.007 122.820 -0.546 0.000 2.385 340 A HA 0.794 5.114 4.320 -0.001 0.000 0.209 340 A C -0.137 176.878 177.584 -0.948 0.000 2.123 340 A CA -0.168 51.534 52.037 -0.558 0.000 1.674 340 A CB 0.127 18.933 19.000 -0.324 0.000 1.212 340 A HN 0.596 nan 8.150 nan 0.000 0.422 341 E N -0.276 119.518 120.200 -0.676 0.000 2.343 341 E HA 0.528 4.877 4.350 -0.001 0.000 0.278 341 E C -1.110 175.387 176.600 -0.171 0.000 0.910 341 E CA -0.475 55.656 56.400 -0.448 0.000 0.757 341 E CB 1.263 30.862 29.700 -0.169 0.000 1.218 341 E HN 0.418 nan 8.360 nan 0.000 0.435 342 R N 2.104 122.635 120.500 0.051 0.000 2.694 342 R HA 0.322 4.661 4.340 -0.001 0.000 0.268 342 R C -0.337 175.878 176.300 -0.141 0.000 1.061 342 R CA 0.290 56.280 56.100 -0.184 0.000 1.133 342 R CB 0.093 30.151 30.300 -0.404 0.000 1.020 342 R HN 0.651 nan 8.270 nan 0.000 0.475 343 F N -1.156 118.818 119.950 0.040 0.000 2.999 343 F HA -0.209 4.317 4.527 -0.001 0.000 0.291 343 F C -0.156 175.684 175.800 0.067 0.000 0.824 343 F CA -0.179 57.847 58.000 0.044 0.000 1.255 343 F CB -2.089 36.937 39.000 0.043 0.000 1.333 343 F HN 0.387 nan 8.300 nan 0.000 0.502 344 L N 0.295 121.596 121.223 0.130 0.000 2.490 344 L HA 0.178 4.517 4.340 -0.001 0.000 0.274 344 L C 1.364 178.364 176.870 0.218 0.000 1.201 344 L CA 0.590 55.497 54.840 0.112 0.000 0.869 344 L CB 0.618 42.700 42.059 0.037 0.000 1.123 344 L HN 0.358 nan 8.230 nan 0.000 0.484 345 H N 0.820 119.949 119.070 0.099 0.000 4.819 345 H HA 0.209 4.764 4.556 -0.001 0.000 0.100 345 H C -0.687 174.718 175.328 0.127 0.000 1.259 345 H CA 0.193 56.326 56.048 0.142 0.000 0.709 345 H CB 0.505 30.371 29.762 0.175 0.000 1.480 345 H HN 0.711 nan 8.280 nan 0.000 0.183 346 D N -0.019 120.338 120.400 -0.072 0.000 2.384 346 D HA 0.563 5.202 4.640 -0.001 0.000 0.250 346 D C 0.372 176.692 176.300 0.034 0.000 1.029 346 D CA -0.331 53.626 54.000 -0.073 0.000 0.990 346 D CB 1.997 42.723 40.800 -0.123 0.000 1.175 346 D HN 0.698 nan 8.370 nan 0.000 0.532 347 G N -2.452 106.429 108.800 0.135 0.000 2.342 347 G HA2 0.610 4.570 3.960 -0.001 0.000 0.297 347 G HA3 0.610 4.570 3.960 -0.001 0.000 0.297 347 G C -1.220 173.894 174.900 0.356 0.000 1.313 347 G CA -0.368 44.825 45.100 0.156 0.000 0.830 347 G HN 0.833 nan 8.290 nan 0.000 0.506 348 G N -1.408 107.614 108.800 0.370 0.000 2.684 348 G HA2 0.654 4.614 3.960 -0.001 0.000 0.290 348 G HA3 0.654 4.614 3.960 -0.001 0.000 0.290 348 G C -1.029 174.177 174.900 0.511 0.000 1.425 348 G CA -0.870 44.558 45.100 0.545 0.000 0.822 348 G HN 0.678 nan 8.290 nan 0.000 0.482 349 L N 1.274 122.871 121.223 0.624 0.000 2.399 349 L HA 0.320 4.659 4.340 -0.001 0.000 0.266 349 L C 0.730 177.829 176.870 0.382 0.000 1.114 349 L CA -1.035 54.045 54.840 0.401 0.000 0.804 349 L CB 1.001 43.242 42.059 0.304 0.000 1.146 349 L HN 0.762 nan 8.230 nan 0.000 0.451 350 D N 1.171 121.739 120.400 0.279 0.000 2.393 350 D HA -0.013 4.627 4.640 -0.001 0.000 0.246 350 D C 1.139 177.560 176.300 0.203 0.000 1.275 350 D CA -0.007 54.160 54.000 0.278 0.000 0.979 350 D CB 0.819 41.796 40.800 0.295 0.000 1.101 350 D HN 0.614 nan 8.370 nan 0.000 0.505 351 G N -0.806 108.068 108.800 0.124 0.000 2.462 351 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.220 351 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.220 351 G C 1.448 176.251 174.900 -0.162 0.000 1.121 351 G CA 1.267 46.348 45.100 -0.031 0.000 0.758 351 G HN 0.583 nan 8.290 nan 0.000 0.559 352 S N -1.268 114.422 115.700 -0.017 0.000 2.593 352 S HA 0.081 4.551 4.470 -0.001 0.000 0.217 352 S C 0.949 175.595 174.600 0.077 0.000 0.966 352 S CA 0.668 58.867 58.200 -0.002 0.000 0.914 352 S CB -0.493 62.784 63.200 0.128 0.000 0.776 352 S HN 0.671 nan 8.310 nan 0.000 0.523 353 H N -0.246 118.846 119.070 0.037 0.000 2.992 353 H HA -0.169 4.386 4.556 -0.001 0.000 0.266 353 H C 1.368 176.749 175.328 0.087 0.000 1.200 353 H CA 0.852 56.893 56.048 -0.011 0.000 1.135 353 H CB -0.992 28.613 29.762 -0.261 0.000 1.282 353 H HN 0.515 nan 8.280 nan 0.000 0.351 354 R N 0.121 120.640 120.500 0.031 0.000 2.167 354 R HA 0.097 4.436 4.340 -0.001 0.000 0.201 354 R C -0.242 175.693 176.300 -0.608 0.000 1.024 354 R CA 0.489 56.230 56.100 -0.597 0.000 1.053 354 R CB 0.571 30.279 30.300 -0.987 0.000 0.987 354 R HN 0.161 nan 8.270 nan 0.000 0.493 355 Y N -0.191 120.098 120.300 -0.018 0.000 2.341 355 Y HA 0.297 4.846 4.550 -0.001 0.000 0.337 355 Y C -0.713 175.191 175.900 0.006 0.000 1.014 355 Y CA -1.308 56.764 58.100 -0.047 0.000 1.111 355 Y CB 1.251 39.700 38.460 -0.019 0.000 1.194 355 Y HN -0.085 nan 8.280 nan 0.000 0.462 356 F N 5.141 125.038 119.950 -0.089 0.000 2.405 356 F HA 0.592 5.118 4.527 -0.001 0.000 0.355 356 F C -0.885 174.756 175.800 -0.265 0.000 1.121 356 F CA -1.819 56.101 58.000 -0.134 0.000 1.112 356 F CB 0.176 39.105 39.000 -0.118 0.000 1.126 356 F HN 0.325 nan 8.300 nan 0.000 0.481 357 I N 5.950 126.078 120.570 -0.737 0.000 2.355 357 I HA 0.316 4.486 4.170 -0.001 0.000 0.288 357 I C -0.113 175.335 176.117 -1.115 0.000 0.999 357 I CA -0.445 60.245 61.300 -1.016 0.000 1.163 357 I CB 1.736 38.898 38.000 -1.396 0.000 1.316 357 I HN 0.561 nan 8.210 nan 0.000 0.454 358 T N 4.642 118.625 114.554 -0.951 0.000 2.900 358 T HA 0.733 5.082 4.350 -0.001 0.000 0.295 358 T C -0.772 173.753 174.700 -0.291 0.000 1.044 358 T CA -0.503 61.209 62.100 -0.647 0.000 0.995 358 T CB 1.543 69.904 68.868 -0.846 0.000 1.072 358 T HN 0.620 nan 8.240 nan 0.000 0.473 359 A N 2.586 125.344 122.820 -0.104 0.000 2.309 359 A HA 0.709 5.029 4.320 -0.001 0.000 0.290 359 A C 0.548 178.147 177.584 0.026 0.000 1.206 359 A CA -0.351 51.676 52.037 -0.017 0.000 0.850 359 A CB 0.077 19.091 19.000 0.024 0.000 1.118 359 A HN 1.153 nan 8.150 nan 0.000 0.523 360 A N 3.631 126.466 122.820 0.025 0.000 3.016 360 A HA 0.370 4.690 4.320 -0.001 0.000 0.303 360 A C 1.121 178.777 177.584 0.120 0.000 1.507 360 A CA -0.282 51.806 52.037 0.085 0.000 1.196 360 A CB -0.796 18.228 19.000 0.041 0.000 1.169 360 A HN 1.019 nan 8.150 nan 0.000 0.544 361 N N 2.473 121.251 118.700 0.129 0.000 2.037 361 N HA -0.265 4.475 4.740 -0.001 0.000 0.196 361 N C 1.431 176.975 175.510 0.056 0.000 1.034 361 N CA 2.330 55.429 53.050 0.082 0.000 0.861 361 N CB -0.567 37.953 38.487 0.056 0.000 1.039 361 N HN 0.487 nan 8.380 nan 0.000 0.427 362 A N -0.163 122.682 122.820 0.041 0.000 2.125 362 A HA 0.013 4.332 4.320 -0.001 0.000 0.219 362 A C 1.978 179.578 177.584 0.028 0.000 1.156 362 A CA 0.936 52.929 52.037 -0.073 0.000 0.671 362 A CB -0.365 18.372 19.000 -0.439 0.000 0.794 362 A HN 0.416 nan 8.150 nan 0.000 0.459 363 R N -0.863 119.708 120.500 0.119 0.000 2.468 363 R HA 0.103 4.443 4.340 -0.001 0.000 0.280 363 R C -0.307 176.042 176.300 0.082 0.000 0.963 363 R CA 0.036 56.205 56.100 0.116 0.000 1.083 363 R CB 0.215 30.617 30.300 0.170 0.000 1.200 363 R HN 0.431 nan 8.270 nan 0.000 0.541 364 N N 1.531 120.277 118.700 0.076 0.000 2.725 364 N HA -0.165 4.575 4.740 -0.001 0.000 0.249 364 N C -0.920 174.634 175.510 0.073 0.000 1.103 364 N CA 1.327 54.427 53.050 0.083 0.000 0.707 364 N CB -0.640 37.889 38.487 0.071 0.000 1.043 364 N HN 0.186 nan 8.380 nan 0.000 0.553 365 K N 0.412 120.845 120.400 0.055 0.000 2.208 365 K HA 0.561 4.881 4.320 -0.001 0.000 0.247 365 K C 0.481 177.077 176.600 -0.007 0.000 0.953 365 K CA -0.583 55.718 56.287 0.023 0.000 0.837 365 K CB 1.845 34.348 32.500 0.004 0.000 1.131 365 K HN 0.054 nan 8.250 nan 0.000 0.431 366 L N 1.845 123.048 121.223 -0.034 0.000 2.313 366 L HA 0.430 4.769 4.340 -0.001 0.000 0.283 366 L C -0.501 176.262 176.870 -0.178 0.000 1.013 366 L CA -1.183 53.599 54.840 -0.096 0.000 0.816 366 L CB 1.834 43.862 42.059 -0.051 0.000 1.236 366 L HN 0.127 nan 8.230 nan 0.000 0.419 367 V N 4.249 124.002 119.914 -0.267 0.000 2.435 367 V HA 0.437 4.556 4.120 -0.001 0.000 0.290 367 V C -0.054 175.777 176.094 -0.438 0.000 1.030 367 V CA -0.631 61.484 62.300 -0.308 0.000 0.881 367 V CB 2.171 33.825 31.823 -0.281 0.000 0.983 367 V HN 0.406 nan 8.190 nan 0.000 0.445 368 V N 5.810 125.449 119.914 -0.459 0.000 2.448 368 V HA 0.536 4.656 4.120 -0.001 0.000 0.295 368 V C -0.449 175.375 176.094 -0.451 0.000 1.025 368 V CA -0.543 61.395 62.300 -0.604 0.000 0.859 368 V CB 1.748 32.953 31.823 -1.030 0.000 0.988 368 V HN 0.568 nan 8.190 nan 0.000 0.431 369 I N 3.236 123.632 120.570 -0.289 0.000 2.433 369 I HA 0.401 4.571 4.170 -0.001 0.000 0.292 369 I C -0.254 175.822 176.117 -0.069 0.000 1.001 369 I CA -0.629 60.592 61.300 -0.132 0.000 1.119 369 I CB 1.844 39.855 38.000 0.017 0.000 1.289 369 I HN 0.599 nan 8.210 nan 0.000 0.438 370 D N 4.219 124.574 120.400 -0.075 0.000 2.365 370 D HA 0.091 4.730 4.640 -0.001 0.000 0.237 370 D C 1.287 177.444 176.300 -0.238 0.000 1.190 370 D CA -0.073 53.831 54.000 -0.160 0.000 0.867 370 D CB 1.170 41.939 40.800 -0.051 0.000 1.050 370 D HN 0.697 nan 8.370 nan 0.000 0.491 371 T N 1.146 115.505 114.554 -0.325 0.000 3.035 371 T HA -0.105 4.245 4.350 -0.001 0.000 0.268 371 T C 1.601 176.158 174.700 -0.239 0.000 1.109 371 T CA 0.762 62.720 62.100 -0.237 0.000 1.119 371 T CB 0.123 68.882 68.868 -0.182 0.000 0.900 371 T HN 0.362 nan 8.240 nan 0.000 0.503 372 K N 0.674 120.850 120.400 -0.374 0.000 2.031 372 K HA -0.037 4.282 4.320 -0.001 0.000 0.205 372 K C 2.072 178.598 176.600 -0.123 0.000 1.049 372 K CA 1.096 57.250 56.287 -0.222 0.000 0.939 372 K CB 0.099 32.413 32.500 -0.309 0.000 0.717 372 K HN 0.181 nan 8.250 nan 0.000 0.438 373 E N -0.443 119.675 120.200 -0.136 0.000 2.385 373 E HA 0.034 4.384 4.350 -0.001 0.000 0.194 373 E C 0.621 177.173 176.600 -0.080 0.000 1.013 373 E CA 0.772 57.123 56.400 -0.080 0.000 0.866 373 E CB 0.470 30.138 29.700 -0.054 0.000 0.832 373 E HN 0.566 nan 8.360 nan 0.000 0.500 374 G N 2.026 110.764 108.800 -0.103 0.000 2.298 374 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.287 374 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.287 374 G C -0.128 174.725 174.900 -0.078 0.000 1.075 374 G CA 0.795 45.838 45.100 -0.095 0.000 0.960 374 G HN 0.191 nan 8.290 nan 0.000 0.502 375 K N -1.262 119.091 120.400 -0.079 0.000 2.532 375 K HA 0.583 4.903 4.320 -0.001 0.000 0.265 375 K C -0.419 176.126 176.600 -0.091 0.000 0.948 375 K CA -1.255 54.988 56.287 -0.072 0.000 0.842 375 K CB 2.078 34.544 32.500 -0.055 0.000 1.392 375 K HN 0.209 nan 8.250 nan 0.000 0.436 376 L N 1.971 123.133 121.223 -0.101 0.000 2.453 376 L HA 0.086 4.425 4.340 -0.001 0.000 0.272 376 L C 0.125 176.903 176.870 -0.154 0.000 1.182 376 L CA 0.587 55.342 54.840 -0.141 0.000 0.858 376 L CB 1.050 43.027 42.059 -0.136 0.000 1.120 376 L HN 0.598 nan 8.230 nan 0.000 0.474 377 V N 4.265 124.033 119.914 -0.244 0.000 3.572 377 V HA 0.610 4.730 4.120 -0.001 0.000 0.260 377 V C 0.414 176.316 176.094 -0.320 0.000 1.324 377 V CA 0.639 62.770 62.300 -0.282 0.000 1.068 377 V CB 0.229 31.811 31.823 -0.402 0.000 0.837 377 V HN 0.983 nan 8.190 nan 0.000 0.450 378 A N -0.122 122.483 122.820 -0.359 0.000 2.590 378 A HA 0.757 5.076 4.320 -0.001 0.000 0.294 378 A C -1.693 175.758 177.584 -0.222 0.000 1.046 378 A CA -0.326 51.560 52.037 -0.251 0.000 0.684 378 A CB 1.232 20.088 19.000 -0.240 0.000 1.279 378 A HN 0.076 nan 8.150 nan 0.000 0.415 379 I N 1.575 122.065 120.570 -0.133 0.000 2.534 379 I HA 0.419 4.589 4.170 -0.001 0.000 0.286 379 I C -1.070 175.013 176.117 -0.057 0.000 1.094 379 I CA -0.387 60.845 61.300 -0.112 0.000 1.055 379 I CB 1.985 39.925 38.000 -0.099 0.000 1.225 379 I HN 0.562 nan 8.210 nan 0.000 0.435 380 E N 4.604 124.778 120.200 -0.044 0.000 2.272 380 E HA 0.264 4.613 4.350 -0.001 0.000 0.269 380 E C -1.303 175.302 176.600 0.008 0.000 0.877 380 E CA -0.658 55.738 56.400 -0.007 0.000 0.755 380 E CB 2.999 32.706 29.700 0.011 0.000 1.192 380 E HN 0.484 nan 8.360 nan 0.000 0.422 381 D N 1.398 121.808 120.400 0.017 0.000 2.350 381 D HA 0.014 4.654 4.640 -0.001 0.000 0.249 381 D C 1.003 177.328 176.300 0.042 0.000 1.119 381 D CA 0.223 54.242 54.000 0.031 0.000 0.886 381 D CB 1.188 42.002 40.800 0.024 0.000 1.195 381 D HN 0.437 nan 8.370 nan 0.000 0.437 382 T N 0.576 115.176 114.554 0.077 0.000 3.055 382 T HA 0.154 4.503 4.350 -0.001 0.000 0.265 382 T C 1.489 176.214 174.700 0.042 0.000 1.111 382 T CA 0.736 62.900 62.100 0.108 0.000 1.118 382 T CB 0.097 69.133 68.868 0.281 0.000 0.909 382 T HN 0.661 nan 8.240 nan 0.000 0.501 383 G N 0.318 109.123 108.800 0.008 0.000 2.179 383 G HA2 -0.038 3.921 3.960 -0.001 0.000 0.260 383 G HA3 -0.038 3.921 3.960 -0.001 0.000 0.260 383 G C 0.383 175.213 174.900 -0.118 0.000 0.977 383 G CA -0.041 45.035 45.100 -0.039 0.000 0.641 383 G HN 1.090 nan 8.290 nan 0.000 0.533 384 G N -1.440 107.243 108.800 -0.196 0.000 2.820 384 G HA2 0.618 4.578 3.960 -0.001 0.000 0.291 384 G HA3 0.618 4.578 3.960 -0.001 0.000 0.291 384 G C -0.718 174.061 174.900 -0.203 0.000 1.323 384 G CA -0.439 44.371 45.100 -0.483 0.000 1.055 384 G HN 0.199 nan 8.290 nan 0.000 0.520 385 Q N 0.837 120.533 119.800 -0.174 0.000 2.372 385 Q HA 0.402 4.741 4.340 -0.001 0.000 0.259 385 Q C -0.536 175.539 176.000 0.125 0.000 0.993 385 Q CA -0.179 55.626 55.803 0.003 0.000 0.854 385 Q CB 1.134 29.854 28.738 -0.030 0.000 1.231 385 Q HN 0.725 nan 8.270 nan 0.000 0.462 386 T N 2.398 117.030 114.554 0.130 0.000 3.389 386 T HA -0.094 4.256 4.350 -0.001 0.000 0.422 386 T C -2.423 172.322 174.700 0.076 0.000 0.767 386 T CA -0.223 61.924 62.100 0.079 0.000 2.199 386 T CB -1.107 67.763 68.868 0.003 0.000 1.700 386 T HN 0.437 nan 8.240 nan 0.000 0.698 387 P HA 0.129 nan 4.420 nan 0.000 0.268 387 P C -0.291 176.927 177.300 -0.136 0.000 1.205 387 P CA 0.210 63.138 63.100 -0.288 0.000 0.771 387 P CB 0.590 32.134 31.700 -0.260 0.000 0.858 388 H N 5.382 124.279 119.070 -0.289 0.000 2.808 388 H HA 0.209 4.765 4.556 -0.001 0.000 0.268 388 H C -2.136 173.048 175.328 -0.241 0.000 1.306 388 H CA -1.849 54.051 56.048 -0.248 0.000 1.565 388 H CB 1.630 31.154 29.762 -0.397 0.000 1.632 388 H HN 0.223 nan 8.280 nan 0.000 0.525 389 P HA 0.071 nan 4.420 nan 0.000 0.227 389 P C 1.017 178.285 177.300 -0.053 0.000 1.161 389 P CA 1.539 64.541 63.100 -0.163 0.000 0.788 389 P CB 1.219 32.899 31.700 -0.033 0.000 0.822 390 G N 1.672 110.409 108.800 -0.106 0.000 2.536 390 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.280 390 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.280 390 G C 0.837 175.824 174.900 0.145 0.000 1.152 390 G CA 0.303 45.533 45.100 0.217 0.000 0.970 390 G HN 0.286 nan 8.290 nan 0.000 0.549 391 R N 1.651 122.201 120.500 0.083 0.000 2.317 391 R HA 0.449 4.788 4.340 -0.001 0.000 0.208 391 R C 1.410 177.776 176.300 0.110 0.000 0.914 391 R CA 1.126 57.175 56.100 -0.086 0.000 1.060 391 R CB -0.052 29.817 30.300 -0.718 0.000 1.015 391 R HN 2.036 nan 8.270 nan 0.000 0.498 392 G N 0.535 109.355 108.800 0.035 0.000 2.741 392 G HA2 -0.107 3.852 3.960 -0.001 0.000 0.222 392 G HA3 -0.107 3.852 3.960 -0.001 0.000 0.222 392 G C -0.942 173.861 174.900 -0.162 0.000 1.364 392 G CA -0.489 44.392 45.100 -0.365 0.000 0.866 392 G HN 0.369 nan 8.290 nan 0.000 0.555 393 A N 0.281 122.868 122.820 -0.389 0.000 2.385 393 A HA 0.724 5.043 4.320 -0.001 0.000 0.290 393 A C -0.254 177.438 177.584 0.180 0.000 1.094 393 A CA -0.517 51.571 52.037 0.085 0.000 0.729 393 A CB 0.961 20.073 19.000 0.186 0.000 1.194 393 A HN 0.784 nan 8.150 nan 0.000 0.442 394 N N 1.804 120.708 118.700 0.340 0.000 2.456 394 N HA 0.793 5.532 4.740 -0.001 0.000 0.288 394 N C -0.951 174.770 175.510 0.351 0.000 1.059 394 N CA 0.261 53.494 53.050 0.304 0.000 0.946 394 N CB 1.624 40.281 38.487 0.283 0.000 1.150 394 N HN 0.674 nan 8.380 nan 0.000 0.479 395 F N -2.370 117.654 119.950 0.124 0.000 2.719 395 F HA 0.390 4.916 4.527 -0.001 0.000 0.309 395 F C -1.347 174.503 175.800 0.085 0.000 1.138 395 F CA -1.248 56.804 58.000 0.087 0.000 0.943 395 F CB 0.558 39.616 39.000 0.096 0.000 1.304 395 F HN -0.003 nan 8.300 nan 0.000 0.445 396 V N 3.129 123.196 119.914 0.256 0.000 2.339 396 V HA 0.149 4.269 4.120 -0.001 0.000 0.261 396 V C 0.276 176.530 176.094 0.267 0.000 1.058 396 V CA -0.295 62.083 62.300 0.129 0.000 0.897 396 V CB -0.098 31.779 31.823 0.089 0.000 1.052 396 V HN 0.849 nan 8.190 nan 0.000 0.480 397 H N 8.144 127.272 119.070 0.097 0.000 2.848 397 H HA 0.100 4.656 4.556 -0.001 0.000 0.341 397 H C -1.744 173.640 175.328 0.093 0.000 1.060 397 H CA -1.406 54.779 56.048 0.228 0.000 1.444 397 H CB 1.860 31.738 29.762 0.194 0.000 1.446 397 H HN 0.339 nan 8.280 nan 0.000 0.583 398 P HA -0.162 nan 4.420 nan 0.000 0.216 398 P C 1.244 178.580 177.300 0.060 0.000 1.150 398 P CA 2.627 65.706 63.100 -0.036 0.000 0.843 398 P CB 0.278 31.886 31.700 -0.152 0.000 0.787 399 T N -6.290 108.367 114.554 0.171 0.000 2.999 399 T HA 0.115 4.465 4.350 -0.001 0.000 0.247 399 T C 1.379 176.104 174.700 0.042 0.000 1.012 399 T CA 0.085 62.204 62.100 0.031 0.000 1.048 399 T CB -0.798 67.970 68.868 -0.166 0.000 1.020 399 T HN -0.169 nan 8.240 nan 0.000 0.478 400 F N 2.759 122.790 119.950 0.134 0.000 2.512 400 F HA 0.512 5.039 4.527 -0.001 0.000 0.296 400 F C 1.980 177.610 175.800 -0.283 0.000 1.110 400 F CA -0.002 57.905 58.000 -0.156 0.000 1.446 400 F CB -0.729 37.996 39.000 -0.458 0.000 1.092 400 F HN 0.620 nan 8.300 nan 0.000 0.554 401 G N -0.274 108.468 108.800 -0.097 0.000 2.587 401 G HA2 -0.181 3.778 3.960 -0.001 0.000 0.212 401 G HA3 -0.181 3.778 3.960 -0.001 0.000 0.212 401 G C -2.835 171.872 174.900 -0.322 0.000 1.327 401 G CA -1.314 43.458 45.100 -0.545 0.000 0.898 401 G HN -0.050 nan 8.290 nan 0.000 0.551 402 P HA 0.385 nan 4.420 nan 0.000 0.261 402 P C 0.234 177.382 177.300 -0.254 0.000 1.183 402 P CA 0.726 63.698 63.100 -0.213 0.000 0.761 402 P CB 0.876 32.486 31.700 -0.150 0.000 0.785 403 V N 1.144 120.886 119.914 -0.288 0.000 3.130 403 V HA 0.746 4.865 4.120 -0.001 0.000 0.310 403 V C -1.723 174.286 176.094 -0.141 0.000 1.158 403 V CA -1.216 60.918 62.300 -0.276 0.000 1.029 403 V CB 2.403 33.986 31.823 -0.399 0.000 1.057 403 V HN 0.563 nan 8.190 nan 0.000 0.436 404 W N 1.671 122.862 121.300 -0.182 0.000 2.785 404 W HA 0.872 5.532 4.660 -0.001 0.000 0.333 404 W C -0.446 176.072 176.519 -0.001 0.000 1.062 404 W CA -0.121 57.209 57.345 -0.025 0.000 1.233 404 W CB 1.917 31.419 29.460 0.070 0.000 1.413 404 W HN 1.055 nan 8.180 nan 0.000 0.489 405 A N 3.249 125.873 122.820 -0.328 0.000 2.380 405 A HA 0.822 5.141 4.320 -0.001 0.000 0.315 405 A C -1.013 176.116 177.584 -0.758 0.000 1.101 405 A CA -0.565 51.282 52.037 -0.316 0.000 0.771 405 A CB 1.980 20.995 19.000 0.026 0.000 1.287 405 A HN 0.529 nan 8.150 nan 0.000 0.436 406 T N -0.095 114.179 114.554 -0.467 0.000 2.923 406 T HA 0.641 4.990 4.350 -0.001 0.000 0.311 406 T C -0.060 174.459 174.700 -0.302 0.000 1.183 406 T CA 0.205 62.030 62.100 -0.459 0.000 1.020 406 T CB 1.121 69.751 68.868 -0.397 0.000 1.165 406 T HN 1.483 nan 8.240 nan 0.000 0.482 407 S N 2.654 118.202 115.700 -0.254 0.000 2.745 407 S HA 0.817 5.286 4.470 -0.001 0.000 0.292 407 S C -0.900 173.509 174.600 -0.318 0.000 1.127 407 S CA -0.615 57.502 58.200 -0.140 0.000 1.007 407 S CB 0.762 63.944 63.200 -0.030 0.000 1.165 407 S HN 0.842 nan 8.310 nan 0.000 0.544 408 H N -1.077 117.953 119.070 -0.068 0.000 2.821 408 H HA 0.501 5.056 4.556 -0.001 0.000 0.373 408 H C 0.355 175.634 175.328 -0.081 0.000 1.165 408 H CA -0.808 55.203 56.048 -0.063 0.000 1.154 408 H CB 1.375 31.103 29.762 -0.057 0.000 1.765 408 H HN 0.476 nan 8.280 nan 0.000 0.549 409 M N 0.487 120.095 119.600 0.013 0.000 2.394 409 M HA 0.093 4.572 4.480 -0.001 0.000 0.266 409 M C 1.923 178.210 176.300 -0.022 0.000 1.098 409 M CA 1.282 56.542 55.300 -0.067 0.000 1.149 409 M CB 0.223 32.719 32.600 -0.174 0.000 1.369 409 M HN 0.849 nan 8.290 nan 0.000 0.450 410 G N 0.705 109.513 108.800 0.014 0.000 2.712 410 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.212 410 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.212 410 G C -0.084 174.808 174.900 -0.014 0.000 1.142 410 G CA 0.442 45.540 45.100 -0.004 0.000 0.789 410 G HN 0.547 nan 8.290 nan 0.000 0.535 411 D N -1.843 118.552 120.400 -0.008 0.000 2.692 411 D HA 0.188 4.828 4.640 -0.001 0.000 0.303 411 D C -0.208 176.083 176.300 -0.016 0.000 1.278 411 D CA -0.412 53.566 54.000 -0.037 0.000 0.852 411 D CB 0.153 40.899 40.800 -0.090 0.000 1.375 411 D HN -0.045 nan 8.370 nan 0.000 0.453 412 D N -0.990 119.398 120.400 -0.020 0.000 2.328 412 D HA 0.075 4.714 4.640 -0.001 0.000 0.226 412 D C 0.122 176.424 176.300 0.003 0.000 1.066 412 D CA -0.121 53.882 54.000 0.005 0.000 0.861 412 D CB -0.489 40.326 40.800 0.025 0.000 0.912 412 D HN 0.393 nan 8.370 nan 0.000 0.521 413 S N -0.524 115.143 115.700 -0.057 0.000 2.580 413 S HA 0.435 4.904 4.470 -0.001 0.000 0.274 413 S C 0.008 174.599 174.600 -0.014 0.000 1.329 413 S CA -0.794 57.345 58.200 -0.102 0.000 1.036 413 S CB 1.688 64.731 63.200 -0.262 0.000 0.919 413 S HN -0.010 nan 8.310 nan 0.000 0.515 414 V N 1.878 121.635 119.914 -0.262 0.000 2.487 414 V HA 0.765 4.884 4.120 -0.001 0.000 0.298 414 V C 0.190 175.981 176.094 -0.506 0.000 1.028 414 V CA -0.496 61.560 62.300 -0.407 0.000 0.860 414 V CB 1.191 32.541 31.823 -0.789 0.000 0.991 414 V HN 1.233 nan 8.190 nan 0.000 0.427 415 A N 5.956 128.654 122.820 -0.203 0.000 2.350 415 A HA 0.942 5.262 4.320 -0.001 0.000 0.324 415 A C -1.024 176.512 177.584 -0.080 0.000 1.118 415 A CA -0.593 51.374 52.037 -0.117 0.000 0.783 415 A CB 1.134 20.172 19.000 0.064 0.000 1.236 415 A HN 0.779 nan 8.150 nan 0.000 0.457 416 L N 2.601 123.797 121.223 -0.045 0.000 2.341 416 L HA 0.620 4.959 4.340 -0.001 0.000 0.278 416 L C -0.594 176.251 176.870 -0.042 0.000 1.005 416 L CA -0.400 54.435 54.840 -0.010 0.000 0.818 416 L CB 1.694 43.771 42.059 0.029 0.000 1.259 416 L HN 0.725 nan 8.230 nan 0.000 0.418 417 I N 1.250 121.836 120.570 0.026 0.000 2.465 417 I HA 0.548 4.718 4.170 -0.001 0.000 0.291 417 I C 0.489 176.549 176.117 -0.096 0.000 1.014 417 I CA -0.378 60.924 61.300 0.003 0.000 1.093 417 I CB 1.884 39.974 38.000 0.151 0.000 1.267 417 I HN 0.654 nan 8.210 nan 0.000 0.431 418 G N 3.228 111.883 108.800 -0.241 0.000 2.398 418 G HA2 0.310 4.269 3.960 -0.001 0.000 0.246 418 G HA3 0.310 4.269 3.960 -0.001 0.000 0.246 418 G C 0.453 174.981 174.900 -0.620 0.000 1.289 418 G CA 0.229 45.098 45.100 -0.385 0.000 0.869 418 G HN 0.740 nan 8.290 nan 0.000 0.543 419 T N -1.350 112.844 114.554 -0.600 0.000 3.339 419 T HA 0.231 4.580 4.350 -0.001 0.000 0.292 419 T C -0.138 174.158 174.700 -0.674 0.000 1.012 419 T CA -0.383 61.234 62.100 -0.805 0.000 0.937 419 T CB 0.592 69.352 68.868 -0.180 0.000 1.164 419 T HN 0.358 nan 8.240 nan 0.000 0.509 420 D N 2.249 122.274 120.400 -0.625 0.000 2.441 420 D HA 0.327 4.967 4.640 -0.001 0.000 0.287 420 D C -1.501 174.613 176.300 -0.310 0.000 1.198 420 D CA -2.381 51.432 54.000 -0.312 0.000 0.894 420 D CB 1.690 42.434 40.800 -0.094 0.000 1.070 420 D HN 0.029 nan 8.370 nan 0.000 0.499 421 P HA -0.154 nan 4.420 nan 0.000 0.218 421 P C 0.954 178.203 177.300 -0.084 0.000 1.148 421 P CA 1.076 64.028 63.100 -0.248 0.000 0.822 421 P CB 0.741 32.372 31.700 -0.115 0.000 0.784 422 E N -0.490 119.696 120.200 -0.024 0.000 2.060 422 E HA -0.003 4.346 4.350 -0.001 0.000 0.189 422 E C 2.374 178.961 176.600 -0.022 0.000 0.974 422 E CA 1.092 57.494 56.400 0.002 0.000 0.808 422 E CB -0.595 29.129 29.700 0.041 0.000 0.768 422 E HN 0.262 nan 8.360 nan 0.000 0.453 423 G N -0.184 108.612 108.800 -0.007 0.000 2.539 423 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.215 423 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.215 423 G C 0.291 175.067 174.900 -0.207 0.000 1.141 423 G CA 0.250 45.320 45.100 -0.050 0.000 0.806 423 G HN 0.174 nan 8.290 nan 0.000 0.533 424 H N -0.349 118.663 119.070 -0.097 0.000 2.439 424 H HA 0.310 4.866 4.556 -0.001 0.000 0.228 424 H C -1.809 173.430 175.328 -0.147 0.000 1.423 424 H CA -1.372 54.616 56.048 -0.100 0.000 1.386 424 H CB 1.622 31.323 29.762 -0.102 0.000 1.641 424 H HN 0.074 nan 8.280 nan 0.000 0.508 425 P HA -0.217 nan 4.420 nan 0.000 0.215 425 P C 1.260 178.507 177.300 -0.088 0.000 1.163 425 P CA 1.372 64.422 63.100 -0.083 0.000 0.894 425 P CB 0.501 32.168 31.700 -0.056 0.000 0.791 426 D N -1.654 118.713 120.400 -0.056 0.000 2.178 426 D HA -0.108 4.532 4.640 -0.001 0.000 0.201 426 D C 1.477 177.726 176.300 -0.084 0.000 0.980 426 D CA 0.946 54.915 54.000 -0.051 0.000 0.842 426 D CB -0.676 40.110 40.800 -0.023 0.000 0.948 426 D HN 0.107 nan 8.370 nan 0.000 0.472 427 N N 0.275 118.917 118.700 -0.096 0.000 2.446 427 N HA 0.053 4.792 4.740 -0.001 0.000 0.179 427 N C 0.211 175.551 175.510 -0.284 0.000 1.054 427 N CA 0.114 53.064 53.050 -0.166 0.000 0.905 427 N CB -0.078 38.333 38.487 -0.126 0.000 0.973 427 N HN 0.017 nan 8.380 nan 0.000 0.448 428 A N 0.310 122.912 122.820 -0.364 0.000 2.548 428 A HA 0.096 4.415 4.320 -0.001 0.000 0.247 428 A C -0.059 177.186 177.584 -0.566 0.000 1.067 428 A CA -0.152 51.441 52.037 -0.740 0.000 0.757 428 A CB -0.770 17.723 19.000 -0.845 0.000 0.996 428 A HN 0.521 nan 8.150 nan 0.000 0.504 429 W N 0.288 121.482 121.300 -0.177 0.000 4.551 429 W HA -0.228 4.432 4.660 -0.001 0.000 0.343 429 W C 0.343 176.784 176.519 -0.131 0.000 1.269 429 W CA 0.844 58.089 57.345 -0.167 0.000 0.799 429 W CB -1.528 27.825 29.460 -0.177 0.000 2.352 429 W HN 0.672 nan 8.180 nan 0.000 1.462 430 K N 0.486 120.868 120.400 -0.030 0.000 2.259 430 K HA 0.454 4.774 4.320 -0.001 0.000 0.249 430 K C 0.251 176.791 176.600 -0.100 0.000 0.942 430 K CA -1.293 54.959 56.287 -0.057 0.000 0.816 430 K CB 1.603 34.042 32.500 -0.103 0.000 1.155 430 K HN -0.244 nan 8.250 nan 0.000 0.428 431 I N 4.921 125.445 120.570 -0.075 0.000 2.406 431 I HA -0.022 4.148 4.170 -0.001 0.000 0.293 431 I C 1.188 177.196 176.117 -0.182 0.000 1.101 431 I CA 0.448 61.694 61.300 -0.090 0.000 1.334 431 I CB -0.189 37.789 38.000 -0.036 0.000 1.421 431 I HN 0.629 nan 8.210 nan 0.000 0.513 432 L N 3.858 124.886 121.223 -0.326 0.000 2.270 432 L HA 0.106 4.445 4.340 -0.001 0.000 0.210 432 L C 0.364 176.961 176.870 -0.456 0.000 1.104 432 L CA 0.812 55.270 54.840 -0.637 0.000 0.804 432 L CB -0.122 41.164 42.059 -1.288 0.000 0.937 432 L HN 0.574 nan 8.230 nan 0.000 0.450 433 D N -1.705 118.596 120.400 -0.165 0.000 2.663 433 D HA 0.318 4.958 4.640 -0.001 0.000 0.233 433 D C -1.528 174.826 176.300 0.089 0.000 1.240 433 D CA -0.195 53.867 54.000 0.102 0.000 0.774 433 D CB 2.080 43.110 40.800 0.384 0.000 1.443 433 D HN -0.237 nan 8.370 nan 0.000 0.441 434 S N 1.541 117.325 115.700 0.140 0.000 2.619 434 S HA 0.823 5.293 4.470 -0.001 0.000 0.280 434 S C -1.650 173.034 174.600 0.139 0.000 1.150 434 S CA -0.663 57.525 58.200 -0.020 0.000 0.978 434 S CB 0.081 63.267 63.200 -0.023 0.000 1.041 434 S HN 0.357 nan 8.310 nan 0.000 0.485 435 F N 2.207 122.178 119.950 0.035 0.000 2.668 435 F HA 0.801 5.328 4.527 -0.001 0.000 0.309 435 F C -3.007 172.849 175.800 0.093 0.000 1.117 435 F CA -2.238 55.805 58.000 0.071 0.000 0.951 435 F CB 0.905 39.958 39.000 0.088 0.000 1.323 435 F HN 0.278 nan 8.300 nan 0.000 0.451 436 P HA 0.443 nan 4.420 nan 0.000 0.278 436 P C -0.916 176.634 177.300 0.417 0.000 1.238 436 P CA 0.131 63.406 63.100 0.292 0.000 0.794 436 P CB 1.909 33.768 31.700 0.265 0.000 0.955 437 A N 2.793 125.707 122.820 0.157 0.000 3.944 437 A HA 0.408 4.728 4.320 -0.001 0.000 0.151 437 A C 1.721 179.082 177.584 -0.372 0.000 1.301 437 A CA -0.478 51.453 52.037 -0.177 0.000 1.020 437 A CB -0.635 18.358 19.000 -0.011 0.000 1.627 437 A HN 0.456 nan 8.150 nan 0.000 0.661 438 L N -0.540 120.442 121.223 -0.401 0.000 2.046 438 L HA 0.196 4.535 4.340 -0.001 0.000 0.208 438 L C 1.320 178.179 176.870 -0.018 0.000 1.077 438 L CA 1.428 56.172 54.840 -0.161 0.000 0.747 438 L CB -0.410 41.566 42.059 -0.138 0.000 0.896 438 L HN 0.936 nan 8.230 nan 0.000 0.432 439 G N -2.329 106.457 108.800 -0.023 0.000 2.315 439 G HA2 0.351 4.311 3.960 -0.001 0.000 0.294 439 G HA3 0.351 4.311 3.960 -0.001 0.000 0.294 439 G C -0.778 174.120 174.900 -0.004 0.000 1.300 439 G CA -0.422 44.679 45.100 0.002 0.000 0.843 439 G HN 0.172 nan 8.290 nan 0.000 0.527 440 G N -1.751 107.046 108.800 -0.004 0.000 2.651 440 G HA2 0.561 4.520 3.960 -0.001 0.000 0.260 440 G HA3 0.561 4.520 3.960 -0.001 0.000 0.260 440 G C 1.293 176.185 174.900 -0.013 0.000 1.216 440 G CA 1.178 46.274 45.100 -0.007 0.000 0.913 440 G HN 2.376 nan 8.290 nan 0.000 0.535 441 G N -1.595 107.192 108.800 -0.021 0.000 2.137 441 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.237 441 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.237 441 G C 0.584 175.459 174.900 -0.042 0.000 1.002 441 G CA 0.721 45.799 45.100 -0.035 0.000 0.702 441 G HN 1.335 nan 8.290 nan 0.000 0.515 442 S N -0.992 114.684 115.700 -0.039 0.000 2.576 442 S HA 0.661 5.131 4.470 -0.001 0.000 0.276 442 S C 1.513 176.031 174.600 -0.137 0.000 1.339 442 S CA 0.040 58.219 58.200 -0.036 0.000 1.039 442 S CB 0.881 64.079 63.200 -0.002 0.000 0.902 442 S HN 0.436 nan 8.310 nan 0.000 0.516 443 L N 2.232 123.364 121.223 -0.153 0.000 2.730 443 L HA 0.453 4.792 4.340 -0.001 0.000 0.236 443 L C -0.880 175.612 176.870 -0.630 0.000 1.061 443 L CA 0.129 54.672 54.840 -0.495 0.000 0.898 443 L CB 0.328 42.068 42.059 -0.531 0.000 1.270 443 L HN 0.524 nan 8.230 nan 0.000 0.500 444 F N -0.145 119.907 119.950 0.170 0.000 2.569 444 F HA 0.508 5.035 4.527 -0.001 0.000 0.312 444 F C -0.480 175.414 175.800 0.157 0.000 1.109 444 F CA -0.646 57.455 58.000 0.168 0.000 0.919 444 F CB 2.330 41.434 39.000 0.173 0.000 1.211 444 F HN -0.302 nan 8.300 nan 0.000 0.446 445 I N 2.760 123.507 120.570 0.295 0.000 2.603 445 I HA 0.679 4.849 4.170 -0.001 0.000 0.300 445 I C -1.310 174.986 176.117 0.297 0.000 1.017 445 I CA -0.668 60.781 61.300 0.248 0.000 1.098 445 I CB 1.729 39.781 38.000 0.087 0.000 1.279 445 I HN 0.613 nan 8.210 nan 0.000 0.437 446 K N 3.516 124.155 120.400 0.399 0.000 2.546 446 K HA 0.665 4.985 4.320 -0.001 0.000 0.264 446 K C -1.198 175.786 176.600 0.639 0.000 0.937 446 K CA -0.421 56.146 56.287 0.465 0.000 0.833 446 K CB 2.179 34.928 32.500 0.414 0.000 1.378 446 K HN 0.656 nan 8.250 nan 0.000 0.432 447 T N 0.456 115.350 114.554 0.567 0.000 2.711 447 T HA 0.469 4.818 4.350 -0.001 0.000 0.302 447 T C -2.200 172.479 174.700 -0.035 0.000 1.373 447 T CA -0.470 61.886 62.100 0.427 0.000 1.000 447 T CB 0.755 69.793 68.868 0.285 0.000 1.483 447 T HN 0.577 nan 8.240 nan 0.000 0.499 448 H N 0.123 118.932 119.070 -0.434 0.000 3.046 448 H HA 0.347 4.903 4.556 -0.001 0.000 0.363 448 H C -2.464 172.733 175.328 -0.217 0.000 1.203 448 H CA -1.440 54.284 56.048 -0.540 0.000 1.169 448 H CB 2.442 31.435 29.762 -1.281 0.000 1.851 448 H HN 0.320 nan 8.280 nan 0.000 0.546 449 P HA -0.103 nan 4.420 nan 0.000 0.218 449 P C 0.584 177.914 177.300 0.050 0.000 1.146 449 P CA 1.154 64.170 63.100 -0.140 0.000 0.813 449 P CB 0.388 31.953 31.700 -0.226 0.000 0.778 450 N N -1.747 117.119 118.700 0.277 0.000 2.336 450 N HA 0.037 4.777 4.740 -0.001 0.000 0.189 450 N C 0.386 175.983 175.510 0.145 0.000 1.113 450 N CA 0.412 53.587 53.050 0.208 0.000 0.858 450 N CB 0.010 38.630 38.487 0.223 0.000 0.970 450 N HN 0.060 nan 8.380 nan 0.000 0.471 451 S N 0.248 116.026 115.700 0.130 0.000 2.593 451 S HA 0.241 4.710 4.470 -0.001 0.000 0.297 451 S C 0.619 175.222 174.600 0.005 0.000 1.112 451 S CA -0.634 57.648 58.200 0.137 0.000 1.043 451 S CB 1.333 64.708 63.200 0.291 0.000 1.054 451 S HN 0.292 nan 8.310 nan 0.000 0.516 452 Q N 1.688 121.379 119.800 -0.181 0.000 2.198 452 Q HA 0.261 4.601 4.340 -0.001 0.000 0.209 452 Q C -1.207 174.504 176.000 -0.482 0.000 0.848 452 Q CA -0.240 55.345 55.803 -0.362 0.000 0.974 452 Q CB 0.058 28.509 28.738 -0.480 0.000 1.115 452 Q HN 0.613 nan 8.270 nan 0.000 0.494 453 Y N 0.575 120.922 120.300 0.079 0.000 2.468 453 Y HA 0.531 5.080 4.550 -0.001 0.000 0.342 453 Y C -0.821 175.093 175.900 0.024 0.000 1.021 453 Y CA -1.792 56.300 58.100 -0.013 0.000 1.079 453 Y CB 1.822 40.215 38.460 -0.111 0.000 1.226 453 Y HN 0.078 nan 8.280 nan 0.000 0.460 454 L N 3.854 125.152 121.223 0.126 0.000 2.319 454 L HA 0.530 4.870 4.340 -0.001 0.000 0.281 454 L C -1.817 175.193 176.870 0.234 0.000 1.005 454 L CA -0.820 54.145 54.840 0.208 0.000 0.828 454 L CB 0.131 42.253 42.059 0.106 0.000 1.227 454 L HN 0.446 nan 8.230 nan 0.000 0.415 455 Y N 4.118 124.653 120.300 0.393 0.000 2.323 455 Y HA 0.659 5.208 4.550 -0.001 0.000 0.331 455 Y C -0.115 175.981 175.900 0.328 0.000 1.092 455 Y CA -0.745 57.575 58.100 0.367 0.000 1.150 455 Y CB 1.716 40.468 38.460 0.486 0.000 1.200 455 Y HN 0.264 nan 8.280 nan 0.000 0.472 456 V N 3.699 123.831 119.914 0.364 0.000 2.569 456 V HA 0.255 4.375 4.120 -0.001 0.000 0.301 456 V C -0.677 175.510 176.094 0.154 0.000 1.044 456 V CA -1.088 61.367 62.300 0.259 0.000 0.874 456 V CB 1.427 33.383 31.823 0.222 0.000 1.002 456 V HN 0.822 nan 8.190 nan 0.000 0.424 457 D N 3.943 124.459 120.400 0.193 0.000 2.478 457 D HA 0.708 5.348 4.640 -0.001 0.000 0.269 457 D C 0.245 176.583 176.300 0.065 0.000 1.232 457 D CA -0.442 53.630 54.000 0.120 0.000 1.059 457 D CB 1.656 42.591 40.800 0.226 0.000 1.104 457 D HN 0.721 nan 8.370 nan 0.000 0.566 458 A N -0.676 122.170 122.820 0.043 0.000 3.165 458 A HA 0.322 4.642 4.320 -0.001 0.000 0.212 458 A C 0.986 178.591 177.584 0.035 0.000 0.935 458 A CA -0.408 51.640 52.037 0.018 0.000 1.100 458 A CB -0.647 18.343 19.000 -0.016 0.000 1.260 458 A HN 0.450 nan 8.150 nan 0.000 0.532 459 T N 0.781 115.387 114.554 0.086 0.000 2.649 459 T HA -0.209 4.140 4.350 -0.001 0.000 0.268 459 T C 1.499 176.246 174.700 0.078 0.000 1.036 459 T CA 2.003 64.183 62.100 0.133 0.000 1.157 459 T CB -0.341 68.677 68.868 0.249 0.000 0.861 459 T HN 0.491 nan 8.240 nan 0.000 0.445 460 L N 0.797 122.046 121.223 0.044 0.000 2.591 460 L HA 0.185 4.524 4.340 -0.001 0.000 0.228 460 L C 1.117 177.976 176.870 -0.018 0.000 1.133 460 L CA -0.317 54.528 54.840 0.008 0.000 0.880 460 L CB -0.556 41.505 42.059 0.003 0.000 1.033 460 L HN 0.247 nan 8.230 nan 0.000 0.450 461 N N 2.515 121.206 118.700 -0.014 0.000 2.454 461 N HA -0.005 4.734 4.740 -0.001 0.000 0.260 461 N C -1.479 174.012 175.510 -0.032 0.000 1.218 461 N CA -0.826 52.211 53.050 -0.022 0.000 0.904 461 N CB 1.452 39.928 38.487 -0.019 0.000 1.065 461 N HN -0.031 nan 8.380 nan 0.000 0.462 462 P HA -0.072 nan 4.420 nan 0.000 0.230 462 P C -0.062 177.215 177.300 -0.038 0.000 1.158 462 P CA 0.892 63.968 63.100 -0.040 0.000 0.769 462 P CB 0.348 32.026 31.700 -0.036 0.000 0.807 463 E N 0.259 120.440 120.200 -0.032 0.000 2.115 463 E HA 0.433 4.782 4.350 -0.001 0.000 0.282 463 E C 1.177 177.755 176.600 -0.037 0.000 0.987 463 E CA -0.419 55.962 56.400 -0.032 0.000 0.797 463 E CB 0.781 30.467 29.700 -0.025 0.000 1.086 463 E HN -0.080 nan 8.360 nan 0.000 0.397 464 A N 5.064 127.860 122.820 -0.040 0.000 1.903 464 A HA -0.275 4.045 4.320 -0.001 0.000 0.219 464 A C 1.820 179.375 177.584 -0.048 0.000 1.191 464 A CA 1.983 53.993 52.037 -0.045 0.000 0.638 464 A CB -0.580 18.393 19.000 -0.044 0.000 0.823 464 A HN 0.834 nan 8.150 nan 0.000 0.451 465 E N -0.686 119.486 120.200 -0.046 0.000 2.097 465 E HA -0.208 4.141 4.350 -0.001 0.000 0.196 465 E C 1.947 178.511 176.600 -0.060 0.000 1.000 465 E CA 1.567 57.934 56.400 -0.054 0.000 0.804 465 E CB -0.269 29.404 29.700 -0.044 0.000 0.740 465 E HN 0.758 nan 8.360 nan 0.000 0.454 466 I N 0.614 121.156 120.570 -0.046 0.000 2.277 466 I HA -0.203 3.966 4.170 -0.001 0.000 0.243 466 I C 2.638 178.725 176.117 -0.049 0.000 1.094 466 I CA 0.977 62.250 61.300 -0.044 0.000 1.393 466 I CB -0.295 37.688 38.000 -0.027 0.000 1.078 466 I HN 0.078 nan 8.210 nan 0.000 0.417 467 S N 0.813 116.490 115.700 -0.038 0.000 2.442 467 S HA -0.084 4.386 4.470 -0.001 0.000 0.236 467 S C 1.819 176.402 174.600 -0.028 0.000 1.007 467 S CA 1.048 59.234 58.200 -0.023 0.000 0.965 467 S CB -0.808 62.379 63.200 -0.022 0.000 0.773 467 S HN 0.491 nan 8.310 nan 0.000 0.504 468 G N 0.002 108.768 108.800 -0.056 0.000 3.284 468 G HA2 0.507 4.466 3.960 -0.001 0.000 0.236 468 G HA3 0.507 4.466 3.960 -0.001 0.000 0.236 468 G C -0.010 174.807 174.900 -0.138 0.000 1.158 468 G CA -0.276 44.779 45.100 -0.075 0.000 0.774 468 G HN 0.468 nan 8.290 nan 0.000 0.545 469 S N -1.513 114.098 115.700 -0.149 0.000 2.704 469 S HA 0.749 5.219 4.470 -0.001 0.000 0.296 469 S C -1.046 173.417 174.600 -0.228 0.000 1.138 469 S CA -0.523 57.543 58.200 -0.222 0.000 0.875 469 S CB 2.600 65.685 63.200 -0.191 0.000 1.151 469 S HN -0.037 nan 8.310 nan 0.000 0.500 470 V N 0.929 120.668 119.914 -0.291 0.000 2.789 470 V HA 0.791 4.911 4.120 -0.001 0.000 0.311 470 V C -0.385 175.592 176.094 -0.195 0.000 1.073 470 V CA -0.778 61.364 62.300 -0.263 0.000 0.921 470 V CB 1.782 33.309 31.823 -0.492 0.000 1.009 470 V HN 1.034 nan 8.190 nan 0.000 0.426 471 A N 3.733 126.443 122.820 -0.183 0.000 2.301 471 A HA 0.856 5.176 4.320 -0.001 0.000 0.312 471 A C -0.807 176.638 177.584 -0.232 0.000 1.182 471 A CA -0.460 51.392 52.037 -0.307 0.000 0.826 471 A CB 1.206 19.756 19.000 -0.751 0.000 1.134 471 A HN 0.786 nan 8.150 nan 0.000 0.501 472 V N 2.655 122.392 119.914 -0.294 0.000 2.483 472 V HA 0.419 4.539 4.120 -0.001 0.000 0.297 472 V C -1.075 174.849 176.094 -0.284 0.000 1.027 472 V CA -0.265 61.845 62.300 -0.317 0.000 0.855 472 V CB 0.914 32.461 31.823 -0.460 0.000 0.995 472 V HN 0.734 nan 8.190 nan 0.000 0.424 473 F N 2.042 122.003 119.950 0.017 0.000 2.399 473 F HA 0.467 4.993 4.527 -0.001 0.000 0.334 473 F C 0.533 176.405 175.800 0.120 0.000 1.097 473 F CA -0.503 57.548 58.000 0.085 0.000 1.076 473 F CB 1.240 40.299 39.000 0.098 0.000 1.162 473 F HN 0.424 nan 8.300 nan 0.000 0.495 474 D N 3.373 123.949 120.400 0.293 0.000 2.411 474 D HA 0.222 4.861 4.640 -0.001 0.000 0.225 474 D C 1.127 177.441 176.300 0.022 0.000 1.156 474 D CA 0.103 54.234 54.000 0.218 0.000 0.874 474 D CB 0.523 41.446 40.800 0.204 0.000 1.034 474 D HN 0.493 nan 8.370 nan 0.000 0.502 475 I N 3.084 123.591 120.570 -0.105 0.000 2.208 475 I HA -0.294 3.876 4.170 -0.001 0.000 0.245 475 I C 2.225 178.243 176.117 -0.166 0.000 1.097 475 I CA 1.025 62.199 61.300 -0.210 0.000 1.363 475 I CB -0.009 37.784 38.000 -0.346 0.000 1.051 475 I HN 0.336 nan 8.210 nan 0.000 0.413 476 K N 0.655 120.968 120.400 -0.145 0.000 2.209 476 K HA -0.102 4.217 4.320 -0.001 0.000 0.204 476 K C 1.955 178.498 176.600 -0.094 0.000 1.048 476 K CA 1.312 57.531 56.287 -0.113 0.000 0.940 476 K CB -0.144 32.295 32.500 -0.103 0.000 0.729 476 K HN 0.347 nan 8.250 nan 0.000 0.451 477 A N 0.583 123.359 122.820 -0.073 0.000 2.218 477 A HA 0.109 4.428 4.320 -0.001 0.000 0.209 477 A C 0.756 178.294 177.584 -0.078 0.000 1.168 477 A CA -0.027 51.979 52.037 -0.052 0.000 0.804 477 A CB -0.151 18.843 19.000 -0.010 0.000 0.834 477 A HN 0.137 nan 8.150 nan 0.000 0.482 478 M N 0.884 120.403 119.600 -0.135 0.000 2.238 478 M HA 0.091 4.570 4.480 -0.001 0.000 0.350 478 M C 1.369 177.565 176.300 -0.174 0.000 1.321 478 M CA 0.628 55.825 55.300 -0.171 0.000 1.097 478 M CB 0.849 33.278 32.600 -0.286 0.000 1.713 478 M HN 0.421 nan 8.290 nan 0.000 0.455 479 T N -2.237 112.272 114.554 -0.076 0.000 2.969 479 T HA 0.249 4.598 4.350 -0.001 0.000 0.250 479 T C 1.273 175.921 174.700 -0.088 0.000 1.021 479 T CA 0.359 62.418 62.100 -0.067 0.000 1.003 479 T CB 0.160 69.000 68.868 -0.045 0.000 1.040 479 T HN 0.977 nan 8.240 nan 0.000 0.492 480 G N 3.517 112.291 108.800 -0.044 0.000 2.273 480 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.280 480 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.280 480 G C 0.245 175.120 174.900 -0.042 0.000 1.047 480 G CA 0.472 45.451 45.100 -0.203 0.000 0.869 480 G HN 0.783 nan 8.290 nan 0.000 0.502 481 D N -1.149 119.263 120.400 0.019 0.000 2.328 481 D HA 0.371 5.011 4.640 -0.001 0.000 0.221 481 D C 1.792 178.140 176.300 0.079 0.000 1.072 481 D CA 0.465 54.488 54.000 0.040 0.000 0.850 481 D CB -0.358 40.452 40.800 0.017 0.000 0.922 481 D HN 1.481 nan 8.370 nan 0.000 0.516 482 G N 0.265 109.139 108.800 0.124 0.000 2.258 482 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.233 482 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.233 482 G C 0.535 175.502 174.900 0.111 0.000 1.006 482 G CA 0.326 45.502 45.100 0.128 0.000 0.620 482 G HN 0.813 nan 8.290 nan 0.000 0.511 483 S N 0.553 116.303 115.700 0.083 0.000 2.624 483 S HA 0.553 5.022 4.470 -0.001 0.000 0.263 483 S C -0.447 174.200 174.600 0.078 0.000 1.287 483 S CA -0.095 58.148 58.200 0.071 0.000 0.990 483 S CB 1.468 64.694 63.200 0.044 0.000 0.950 483 S HN 0.176 nan 8.310 nan 0.000 0.561 484 D N 2.844 123.295 120.400 0.086 0.000 2.295 484 D HA 0.396 5.036 4.640 -0.001 0.000 0.248 484 D C -1.947 174.372 176.300 0.032 0.000 1.154 484 D CA -1.156 52.905 54.000 0.102 0.000 0.857 484 D CB 0.765 41.681 40.800 0.194 0.000 1.117 484 D HN 0.444 nan 8.370 nan 0.000 0.468 485 P HA 0.096 nan 4.420 nan 0.000 0.271 485 P C -0.100 177.310 177.300 0.184 0.000 1.216 485 P CA -0.231 62.842 63.100 -0.045 0.000 0.776 485 P CB 1.455 33.005 31.700 -0.249 0.000 0.881 486 E N 1.265 121.521 120.200 0.094 0.000 2.371 486 E HA 0.384 4.734 4.350 -0.001 0.000 0.257 486 E C -0.310 176.280 176.600 -0.016 0.000 1.134 486 E CA -0.176 56.212 56.400 -0.021 0.000 0.919 486 E CB 0.299 29.931 29.700 -0.114 0.000 1.025 486 E HN 0.465 nan 8.360 nan 0.000 0.438 487 F N -1.397 118.390 119.950 -0.272 0.000 2.613 487 F HA 0.530 5.056 4.527 -0.001 0.000 0.310 487 F C -0.728 174.868 175.800 -0.340 0.000 1.085 487 F CA -1.394 56.275 58.000 -0.551 0.000 0.945 487 F CB 1.030 39.306 39.000 -1.206 0.000 1.298 487 F HN 0.118 nan 8.300 nan 0.000 0.455 488 K N 0.901 121.236 120.400 -0.108 0.000 2.130 488 K HA 0.584 4.903 4.320 -0.001 0.000 0.268 488 K C -1.055 175.540 176.600 -0.008 0.000 0.983 488 K CA -0.441 55.779 56.287 -0.111 0.000 0.893 488 K CB 1.521 33.938 32.500 -0.138 0.000 1.066 488 K HN 0.881 nan 8.250 nan 0.000 0.450 489 T N 4.789 119.323 114.554 -0.033 0.000 2.743 489 T HA 0.320 4.670 4.350 -0.001 0.000 0.292 489 T C -0.326 174.260 174.700 -0.190 0.000 0.972 489 T CA -0.600 61.472 62.100 -0.047 0.000 0.967 489 T CB 0.281 69.147 68.868 -0.005 0.000 0.926 489 T HN 0.393 nan 8.240 nan 0.000 0.459 490 L N 6.448 127.501 121.223 -0.284 0.000 2.264 490 L HA 0.361 4.700 4.340 -0.001 0.000 0.289 490 L C -1.768 174.680 176.870 -0.703 0.000 1.044 490 L CA -2.220 52.293 54.840 -0.545 0.000 0.807 490 L CB 1.136 42.914 42.059 -0.469 0.000 1.192 490 L HN 0.356 nan 8.230 nan 0.000 0.425 491 P HA 0.072 nan 4.420 nan 0.000 0.225 491 P C 0.995 177.774 177.300 -0.868 0.000 1.813 491 P CA -0.299 62.354 63.100 -0.745 0.000 1.013 491 P CB 0.261 31.593 31.700 -0.612 0.000 1.961 492 I N 1.634 121.826 120.570 -0.631 0.000 2.118 492 I HA -0.263 3.906 4.170 -0.001 0.000 0.241 492 I C 2.382 178.432 176.117 -0.113 0.000 1.070 492 I CA 1.770 62.877 61.300 -0.323 0.000 1.327 492 I CB -1.985 35.847 38.000 -0.279 0.000 1.034 492 I HN 0.161 nan 8.210 nan 0.000 0.405 493 A N 0.229 122.975 122.820 -0.123 0.000 1.902 493 A HA -0.249 4.071 4.320 -0.001 0.000 0.217 493 A C 2.395 179.962 177.584 -0.027 0.000 1.181 493 A CA 1.862 53.871 52.037 -0.047 0.000 0.623 493 A CB -0.728 18.243 19.000 -0.050 0.000 0.818 493 A HN 0.553 nan 8.150 nan 0.000 0.443 494 E N -1.292 118.863 120.200 -0.075 0.000 2.077 494 E HA -0.224 4.125 4.350 -0.001 0.000 0.193 494 E C 1.719 178.385 176.600 0.111 0.000 0.989 494 E CA 1.282 57.668 56.400 -0.024 0.000 0.800 494 E CB -0.215 29.433 29.700 -0.088 0.000 0.746 494 E HN 0.759 nan 8.360 nan 0.000 0.452 495 W N 0.343 121.604 121.300 -0.066 0.000 2.374 495 W HA -0.007 4.652 4.660 -0.001 0.000 0.288 495 W C 2.267 178.731 176.519 -0.091 0.000 1.218 495 W CA 1.067 58.366 57.345 -0.078 0.000 1.245 495 W CB -0.835 28.575 29.460 -0.083 0.000 1.126 495 W HN 0.201 nan 8.180 nan 0.000 0.545 496 A N -0.380 122.525 122.820 0.141 0.000 2.167 496 A HA 0.344 4.664 4.320 -0.001 0.000 0.214 496 A C 1.725 179.314 177.584 0.008 0.000 1.151 496 A CA 1.021 53.079 52.037 0.035 0.000 0.735 496 A CB -0.933 18.080 19.000 0.023 0.000 0.802 496 A HN 0.500 nan 8.150 nan 0.000 0.467 497 G N -0.204 108.612 108.800 0.026 0.000 2.359 497 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.298 497 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.298 497 G C -0.165 174.733 174.900 -0.003 0.000 1.030 497 G CA 0.554 45.659 45.100 0.008 0.000 1.149 497 G HN 0.523 nan 8.290 nan 0.000 0.512 498 I N 0.640 121.210 120.570 -0.001 0.000 2.378 498 I HA 0.340 4.509 4.170 -0.001 0.000 0.291 498 I C 1.631 177.744 176.117 -0.007 0.000 0.992 498 I CA -0.287 61.011 61.300 -0.003 0.000 1.154 498 I CB 1.701 39.703 38.000 0.003 0.000 1.315 498 I HN 0.355 nan 8.210 nan 0.000 0.448 499 T N 1.693 116.242 114.554 -0.008 0.000 2.815 499 T HA 0.012 4.362 4.350 -0.001 0.000 0.244 499 T C 0.684 175.376 174.700 -0.013 0.000 1.040 499 T CA -0.087 62.007 62.100 -0.011 0.000 1.176 499 T CB -0.398 68.464 68.868 -0.010 0.000 0.880 499 T HN 0.661 nan 8.240 nan 0.000 0.414 500 E N 2.369 122.562 120.200 -0.011 0.000 2.481 500 E HA 0.362 4.712 4.350 -0.001 0.000 0.263 500 E C 0.939 177.528 176.600 -0.019 0.000 0.992 500 E CA -0.125 56.268 56.400 -0.013 0.000 0.938 500 E CB -0.513 29.182 29.700 -0.008 0.000 0.933 500 E HN 0.862 nan 8.360 nan 0.000 0.453 501 G N 2.232 111.017 108.800 -0.025 0.000 2.806 501 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.236 501 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.236 501 G C -0.500 174.373 174.900 -0.044 0.000 1.387 501 G CA 0.235 45.312 45.100 -0.038 0.000 0.884 501 G HN 0.797 nan 8.290 nan 0.000 0.560 502 Q N 0.876 120.639 119.800 -0.062 0.000 2.626 502 Q HA 0.411 4.750 4.340 -0.001 0.000 0.239 502 Q C -2.057 173.897 176.000 -0.078 0.000 1.101 502 Q CA -1.840 53.924 55.803 -0.065 0.000 0.918 502 Q CB 1.042 29.736 28.738 -0.073 0.000 1.151 502 Q HN 0.564 nan 8.270 nan 0.000 0.531 503 P HA 0.047 nan 4.420 nan 0.000 0.268 503 P C -0.965 176.324 177.300 -0.017 0.000 1.205 503 P CA 0.122 63.203 63.100 -0.032 0.000 0.771 503 P CB 0.834 32.540 31.700 0.010 0.000 0.858 504 R N 1.372 121.880 120.500 0.013 0.000 2.445 504 R HA 0.489 4.828 4.340 -0.001 0.000 0.308 504 R C -0.501 175.920 176.300 0.203 0.000 0.961 504 R CA -1.130 55.014 56.100 0.073 0.000 0.862 504 R CB 1.672 31.994 30.300 0.038 0.000 1.144 504 R HN 0.257 nan 8.270 nan 0.000 0.447 505 V N 3.661 123.662 119.914 0.144 0.000 2.583 505 V HA 0.329 4.448 4.120 -0.001 0.000 0.287 505 V C -0.101 176.146 176.094 0.254 0.000 1.051 505 V CA -0.292 62.106 62.300 0.164 0.000 1.010 505 V CB 1.503 33.340 31.823 0.023 0.000 0.988 505 V HN 0.498 nan 8.190 nan 0.000 0.478 506 V N 5.247 125.351 119.914 0.316 0.000 2.969 506 V HA 0.508 4.627 4.120 -0.001 0.000 0.304 506 V C -0.528 175.732 176.094 0.277 0.000 1.192 506 V CA -0.363 62.151 62.300 0.356 0.000 0.962 506 V CB 1.759 33.810 31.823 0.379 0.000 1.045 506 V HN 1.072 nan 8.190 nan 0.000 0.428 507 Q N 3.093 123.073 119.800 0.300 0.000 2.588 507 Q HA -0.135 4.204 4.340 -0.001 0.000 0.234 507 Q C -0.075 175.845 176.000 -0.133 0.000 1.382 507 Q CA 0.843 56.609 55.803 -0.062 0.000 0.700 507 Q CB -0.826 27.496 28.738 -0.694 0.000 0.808 507 Q HN 1.453 nan 8.270 nan 0.000 0.310 508 G N 3.038 111.753 108.800 -0.142 0.000 2.467 508 G HA2 0.412 4.371 3.960 -0.001 0.000 0.257 508 G HA3 0.412 4.371 3.960 -0.001 0.000 0.257 508 G C -0.638 173.995 174.900 -0.445 0.000 1.227 508 G CA 0.161 44.793 45.100 -0.781 0.000 0.835 508 G HN 0.557 nan 8.290 nan 0.000 0.556 509 E N 0.583 120.494 120.200 -0.482 0.000 2.311 509 E HA 0.494 4.843 4.350 -0.001 0.000 0.281 509 E C -1.378 175.133 176.600 -0.150 0.000 0.905 509 E CA -0.692 55.589 56.400 -0.198 0.000 0.778 509 E CB 0.895 30.461 29.700 -0.224 0.000 1.240 509 E HN 0.236 nan 8.360 nan 0.000 0.410 510 F N 2.766 122.690 119.950 -0.044 0.000 2.370 510 F HA 0.367 4.893 4.527 -0.001 0.000 0.319 510 F C 1.319 177.126 175.800 0.011 0.000 1.129 510 F CA -0.333 57.676 58.000 0.014 0.000 1.109 510 F CB 0.608 39.620 39.000 0.019 0.000 1.262 510 F HN 0.544 nan 8.300 nan 0.000 0.534 511 N N 0.876 119.774 118.700 0.330 0.000 2.364 511 N HA 0.092 4.832 4.740 -0.001 0.000 0.264 511 N C 0.636 176.210 175.510 0.108 0.000 1.263 511 N CA -0.552 52.659 53.050 0.268 0.000 0.959 511 N CB 0.249 38.966 38.487 0.384 0.000 1.204 511 N HN 0.653 nan 8.380 nan 0.000 0.550 512 K N -0.844 119.599 120.400 0.071 0.000 2.063 512 K HA -0.153 4.166 4.320 -0.001 0.000 0.208 512 K C 0.227 176.819 176.600 -0.013 0.000 1.048 512 K CA 1.606 57.913 56.287 0.033 0.000 0.928 512 K CB -0.120 32.343 32.500 -0.061 0.000 0.713 512 K HN 0.456 nan 8.250 nan 0.000 0.442 513 D N -0.607 119.781 120.400 -0.021 0.000 2.347 513 D HA 0.015 4.654 4.640 -0.001 0.000 0.215 513 D C 0.845 177.064 176.300 -0.135 0.000 0.976 513 D CA 1.120 55.101 54.000 -0.031 0.000 0.884 513 D CB 0.230 41.036 40.800 0.011 0.000 0.915 513 D HN 0.532 nan 8.370 nan 0.000 0.526 514 G N 0.943 109.538 108.800 -0.342 0.000 2.198 514 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.260 514 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.260 514 G C 1.052 175.958 174.900 0.010 0.000 1.025 514 G CA 1.117 45.798 45.100 -0.698 0.000 0.769 514 G HN 0.423 nan 8.290 nan 0.000 0.507 515 T N -3.589 111.046 114.554 0.135 0.000 3.022 515 T HA 0.484 4.834 4.350 -0.001 0.000 0.250 515 T C 0.498 175.344 174.700 0.243 0.000 1.060 515 T CA 0.850 63.066 62.100 0.194 0.000 1.013 515 T CB 0.843 69.792 68.868 0.135 0.000 0.982 515 T HN 0.533 nan 8.240 nan 0.000 0.508 516 E N 0.159 120.518 120.200 0.266 0.000 2.356 516 E HA 0.624 4.974 4.350 -0.001 0.000 0.275 516 E C -1.993 174.645 176.600 0.062 0.000 0.904 516 E CA -0.966 55.555 56.400 0.203 0.000 0.757 516 E CB 3.290 33.157 29.700 0.278 0.000 1.232 516 E HN 0.062 nan 8.360 nan 0.000 0.442 517 V N 2.620 122.430 119.914 -0.174 0.000 2.588 517 V HA 0.548 4.668 4.120 -0.001 0.000 0.304 517 V C -1.687 174.272 176.094 -0.225 0.000 1.042 517 V CA -0.471 61.476 62.300 -0.589 0.000 0.877 517 V CB 0.792 31.713 31.823 -1.504 0.000 0.996 517 V HN 0.591 nan 8.190 nan 0.000 0.425 518 W N 5.443 126.381 121.300 -0.602 0.000 2.512 518 W HA 0.776 5.435 4.660 -0.001 0.000 0.335 518 W C -0.676 175.406 176.519 -0.727 0.000 1.088 518 W CA -1.105 55.960 57.345 -0.468 0.000 1.236 518 W CB 1.106 30.361 29.460 -0.342 0.000 1.307 518 W HN 0.397 nan 8.180 nan 0.000 0.567 519 F N 0.674 120.671 119.950 0.078 0.000 2.588 519 F HA 0.443 4.970 4.527 -0.001 0.000 0.310 519 F C 0.255 176.079 175.800 0.040 0.000 1.082 519 F CA -1.089 56.932 58.000 0.034 0.000 0.929 519 F CB 1.794 40.806 39.000 0.019 0.000 1.254 519 F HN -0.037 nan 8.300 nan 0.000 0.455 520 S N 1.360 117.195 115.700 0.225 0.000 2.480 520 S HA 0.512 4.982 4.470 -0.001 0.000 0.286 520 S C -0.544 174.180 174.600 0.207 0.000 1.180 520 S CA -0.659 57.636 58.200 0.159 0.000 1.075 520 S CB 1.393 64.639 63.200 0.077 0.000 0.996 520 S HN 0.329 nan 8.310 nan 0.000 0.487 521 V N 4.598 124.617 119.914 0.175 0.000 2.247 521 V HA 0.166 4.285 4.120 -0.001 0.000 0.262 521 V C -0.606 175.634 176.094 0.243 0.000 1.096 521 V CA -0.670 61.733 62.300 0.172 0.000 0.895 521 V CB -0.308 31.574 31.823 0.098 0.000 1.141 521 V HN 0.890 nan 8.190 nan 0.000 0.478 522 W N 6.211 127.553 121.300 0.069 0.000 2.481 522 W HA 0.429 5.088 4.660 -0.001 0.000 0.320 522 W C -0.077 176.485 176.519 0.072 0.000 1.209 522 W CA -0.499 56.894 57.345 0.081 0.000 1.400 522 W CB 0.273 29.801 29.460 0.113 0.000 1.361 522 W HN 0.437 nan 8.180 nan 0.000 0.456 523 N N 2.705 121.529 118.700 0.207 0.000 2.531 523 N HA 0.613 5.353 4.740 -0.001 0.000 0.290 523 N C 0.080 175.613 175.510 0.039 0.000 1.257 523 N CA -0.333 52.726 53.050 0.015 0.000 0.863 523 N CB 1.534 40.047 38.487 0.045 0.000 1.320 523 N HN 0.473 nan 8.380 nan 0.000 0.538 524 G N -0.156 108.637 108.800 -0.011 0.000 2.699 524 G HA2 0.049 4.009 3.960 -0.001 0.000 0.246 524 G HA3 0.049 4.009 3.960 -0.001 0.000 0.246 524 G C 0.977 175.937 174.900 0.099 0.000 1.219 524 G CA 0.031 45.157 45.100 0.042 0.000 0.866 524 G HN 0.748 nan 8.290 nan 0.000 0.572 525 K N -0.892 119.577 120.400 0.116 0.000 2.209 525 K HA -0.049 4.270 4.320 -0.001 0.000 0.204 525 K C 0.350 176.990 176.600 0.067 0.000 1.048 525 K CA 1.596 57.945 56.287 0.103 0.000 0.940 525 K CB 0.231 32.790 32.500 0.099 0.000 0.729 525 K HN 0.288 nan 8.250 nan 0.000 0.451 526 D N 1.168 121.599 120.400 0.052 0.000 2.491 526 D HA 0.126 4.766 4.640 -0.001 0.000 0.228 526 D C -0.273 176.044 176.300 0.029 0.000 1.183 526 D CA 0.174 54.195 54.000 0.036 0.000 0.827 526 D CB 0.524 41.340 40.800 0.028 0.000 0.989 526 D HN 0.373 nan 8.370 nan 0.000 0.494 527 Q N 0.033 119.855 119.800 0.036 0.000 2.528 527 Q HA 0.333 4.673 4.340 -0.001 0.000 0.289 527 Q C -0.528 175.494 176.000 0.037 0.000 1.091 527 Q CA -0.821 54.998 55.803 0.027 0.000 0.797 527 Q CB 2.368 31.116 28.738 0.017 0.000 1.466 527 Q HN -0.029 nan 8.270 nan 0.000 0.436 528 E N 0.579 120.796 120.200 0.027 0.000 2.259 528 E HA 0.326 4.675 4.350 -0.001 0.000 0.281 528 E C -1.011 175.615 176.600 0.044 0.000 1.027 528 E CA 0.046 56.464 56.400 0.030 0.000 0.838 528 E CB 0.929 30.638 29.700 0.014 0.000 1.066 528 E HN 0.441 nan 8.360 nan 0.000 0.401 529 S N 1.326 117.061 115.700 0.058 0.000 2.798 529 S HA 0.947 5.416 4.470 -0.001 0.000 0.312 529 S C -1.105 173.524 174.600 0.049 0.000 1.122 529 S CA -0.406 57.843 58.200 0.082 0.000 0.949 529 S CB 1.835 65.116 63.200 0.135 0.000 1.235 529 S HN 0.727 nan 8.310 nan 0.000 0.552 530 A N 0.315 123.167 122.820 0.054 0.000 2.566 530 A HA 0.704 5.023 4.320 -0.001 0.000 0.290 530 A C -2.278 175.314 177.584 0.013 0.000 1.071 530 A CA -0.684 51.357 52.037 0.007 0.000 0.658 530 A CB 0.628 19.614 19.000 -0.023 0.000 1.285 530 A HN 0.598 nan 8.150 nan 0.000 0.427 531 L N 0.777 121.970 121.223 -0.051 0.000 2.362 531 L HA 0.657 4.996 4.340 -0.001 0.000 0.275 531 L C -0.990 175.776 176.870 -0.173 0.000 0.998 531 L CA -1.059 53.742 54.840 -0.065 0.000 0.820 531 L CB 1.859 43.865 42.059 -0.089 0.000 1.270 531 L HN 0.452 nan 8.230 nan 0.000 0.415 532 V N 3.890 123.749 119.914 -0.092 0.000 2.417 532 V HA 0.368 4.488 4.120 -0.001 0.000 0.291 532 V C -0.018 175.964 176.094 -0.186 0.000 1.024 532 V CA -0.634 61.601 62.300 -0.108 0.000 0.861 532 V CB 2.232 34.113 31.823 0.096 0.000 0.985 532 V HN 0.420 nan 8.190 nan 0.000 0.436 533 V N 6.084 125.751 119.914 -0.411 0.000 2.370 533 V HA 0.433 4.552 4.120 -0.001 0.000 0.279 533 V C -0.017 175.959 176.094 -0.196 0.000 1.029 533 V CA -0.494 61.508 62.300 -0.497 0.000 0.870 533 V CB 1.628 32.902 31.823 -0.915 0.000 0.984 533 V HN 0.601 nan 8.190 nan 0.000 0.451 534 V N 3.450 123.348 119.914 -0.026 0.000 2.483 534 V HA 0.344 4.463 4.120 -0.001 0.000 0.295 534 V C -0.072 176.062 176.094 0.068 0.000 1.035 534 V CA -0.660 61.690 62.300 0.082 0.000 0.896 534 V CB 1.981 33.977 31.823 0.289 0.000 0.986 534 V HN 0.905 nan 8.190 nan 0.000 0.447 535 D N 2.750 123.188 120.400 0.063 0.000 2.338 535 D HA 0.047 4.686 4.640 -0.001 0.000 0.255 535 D C 0.855 177.270 176.300 0.192 0.000 1.237 535 D CA 0.035 54.097 54.000 0.102 0.000 0.883 535 D CB 1.334 42.168 40.800 0.056 0.000 1.087 535 D HN 0.710 nan 8.370 nan 0.000 0.485 536 D N 3.406 123.963 120.400 0.261 0.000 2.144 536 D HA -0.196 4.443 4.640 -0.001 0.000 0.199 536 D C 1.711 178.276 176.300 0.441 0.000 0.984 536 D CA 1.251 55.508 54.000 0.427 0.000 0.834 536 D CB 0.226 41.341 40.800 0.524 0.000 0.955 536 D HN 0.427 nan 8.370 nan 0.000 0.465 537 K N -0.974 119.612 120.400 0.310 0.000 2.097 537 K HA -0.111 4.208 4.320 -0.001 0.000 0.206 537 K C 1.661 178.415 176.600 0.257 0.000 1.049 537 K CA 1.753 58.208 56.287 0.280 0.000 0.933 537 K CB -0.069 32.538 32.500 0.178 0.000 0.717 537 K HN 0.322 nan 8.250 nan 0.000 0.442 538 T N -2.155 112.505 114.554 0.176 0.000 3.001 538 T HA 0.198 4.548 4.350 -0.001 0.000 0.251 538 T C 0.907 175.654 174.700 0.077 0.000 1.040 538 T CA 0.006 62.174 62.100 0.113 0.000 0.985 538 T CB -0.036 68.871 68.868 0.066 0.000 1.011 538 T HN 0.301 nan 8.240 nan 0.000 0.509 539 L N 0.491 121.771 121.223 0.095 0.000 3.865 539 L HA -0.174 4.165 4.340 -0.001 0.000 0.408 539 L C -0.261 176.717 176.870 0.179 0.000 1.209 539 L CA 0.486 55.385 54.840 0.098 0.000 0.940 539 L CB -2.003 40.005 42.059 -0.086 0.000 1.971 539 L HN 0.522 nan 8.230 nan 0.000 0.899 540 E N -0.006 120.235 120.200 0.067 0.000 2.235 540 E HA 0.544 4.894 4.350 -0.001 0.000 0.265 540 E C -0.288 176.090 176.600 -0.370 0.000 0.940 540 E CA -1.263 55.066 56.400 -0.120 0.000 0.819 540 E CB 2.223 31.849 29.700 -0.123 0.000 1.206 540 E HN 0.097 nan 8.360 nan 0.000 0.409 541 L N 2.259 122.903 121.223 -0.964 0.000 2.499 541 L HA 0.012 4.351 4.340 -0.001 0.000 0.273 541 L C 0.698 177.297 176.870 -0.451 0.000 1.195 541 L CA 0.832 55.111 54.840 -0.934 0.000 0.882 541 L CB 0.510 41.756 42.059 -1.356 0.000 1.133 541 L HN 0.505 nan 8.230 nan 0.000 0.483 542 K N 3.064 123.279 120.400 -0.308 0.000 2.225 542 K HA 0.167 4.486 4.320 -0.001 0.000 0.204 542 K C -0.442 176.028 176.600 -0.217 0.000 1.047 542 K CA 0.632 56.792 56.287 -0.211 0.000 0.970 542 K CB 0.070 32.480 32.500 -0.150 0.000 0.939 542 K HN 0.839 nan 8.250 nan 0.000 0.472 543 H N -1.316 117.467 119.070 -0.479 0.000 3.079 543 H HA 0.504 5.060 4.556 -0.001 0.000 0.356 543 H C -1.981 173.037 175.328 -0.516 0.000 1.221 543 H CA -0.854 54.865 56.048 -0.549 0.000 1.185 543 H CB 1.708 30.905 29.762 -0.942 0.000 1.882 543 H HN -0.129 nan 8.280 nan 0.000 0.543 544 V N 5.736 125.071 119.914 -0.966 0.000 2.409 544 V HA 0.346 4.465 4.120 -0.001 0.000 0.291 544 V C 0.038 175.686 176.094 -0.744 0.000 1.020 544 V CA -0.600 61.311 62.300 -0.648 0.000 0.848 544 V CB 1.308 32.904 31.823 -0.379 0.000 0.990 544 V HN 0.607 nan 8.190 nan 0.000 0.430 545 I N 5.238 125.535 120.570 -0.454 0.000 2.304 545 I HA 0.461 4.630 4.170 -0.001 0.000 0.291 545 I C 0.067 176.093 176.117 -0.152 0.000 1.018 545 I CA -0.207 60.940 61.300 -0.255 0.000 1.260 545 I CB 0.868 38.757 38.000 -0.185 0.000 1.390 545 I HN 0.503 nan 8.210 nan 0.000 0.475 546 K N 5.193 125.526 120.400 -0.112 0.000 2.427 546 K HA 0.503 4.823 4.320 -0.001 0.000 0.252 546 K C -1.444 175.137 176.600 -0.031 0.000 0.931 546 K CA -0.823 55.427 56.287 -0.063 0.000 0.793 546 K CB 2.561 35.017 32.500 -0.072 0.000 1.211 546 K HN 0.487 nan 8.250 nan 0.000 0.426 547 D N 1.371 121.766 120.400 -0.009 0.000 2.769 547 D HA -0.023 4.617 4.640 -0.001 0.000 0.219 547 D C 0.135 176.441 176.300 0.011 0.000 1.245 547 D CA -0.222 53.779 54.000 0.003 0.000 0.801 547 D CB 2.070 42.877 40.800 0.011 0.000 1.598 547 D HN 0.587 nan 8.370 nan 0.000 0.485 548 E N 2.162 122.369 120.200 0.011 0.000 2.209 548 E HA -0.164 4.186 4.350 -0.001 0.000 0.196 548 E C 1.161 177.775 176.600 0.022 0.000 0.993 548 E CA 1.047 57.456 56.400 0.015 0.000 0.819 548 E CB 0.247 29.955 29.700 0.013 0.000 0.745 548 E HN 0.428 nan 8.360 nan 0.000 0.477 549 R N -0.178 120.336 120.500 0.023 0.000 2.193 549 R HA 0.004 4.344 4.340 -0.001 0.000 0.213 549 R C 1.141 177.462 176.300 0.035 0.000 1.055 549 R CA 0.005 56.122 56.100 0.028 0.000 0.995 549 R CB -0.159 30.158 30.300 0.028 0.000 0.893 549 R HN 0.008 nan 8.270 nan 0.000 0.459 550 L N 2.190 123.434 121.223 0.036 0.000 2.388 550 L HA 0.073 4.412 4.340 -0.001 0.000 0.252 550 L C -0.778 176.126 176.870 0.057 0.000 1.357 550 L CA 0.237 55.104 54.840 0.044 0.000 1.214 550 L CB 0.273 42.355 42.059 0.037 0.000 1.392 550 L HN -0.200 nan 8.230 nan 0.000 0.432 551 V N 2.775 122.724 119.914 0.059 0.000 2.432 551 V HA 0.238 4.358 4.120 -0.001 0.000 0.275 551 V C 0.878 177.034 176.094 0.103 0.000 1.043 551 V CA -0.003 62.344 62.300 0.078 0.000 0.925 551 V CB 1.001 32.861 31.823 0.062 0.000 0.985 551 V HN 0.830 nan 8.190 nan 0.000 0.466 552 T N 3.871 118.528 114.554 0.171 0.000 3.549 552 T HA -0.119 4.231 4.350 -0.001 0.000 0.398 552 T C -1.628 173.133 174.700 0.103 0.000 0.766 552 T CA 0.053 62.316 62.100 0.273 0.000 2.007 552 T CB -1.795 67.260 68.868 0.313 0.000 1.727 552 T HN 0.594 nan 8.240 nan 0.000 0.693 553 P HA 0.241 nan 4.420 nan 0.000 0.271 553 P C 0.941 178.148 177.300 -0.154 0.000 1.220 553 P CA 0.178 63.271 63.100 -0.011 0.000 0.768 553 P CB 1.575 33.303 31.700 0.047 0.000 0.848 554 T N 0.749 115.150 114.554 -0.254 0.000 2.964 554 T HA 0.349 4.699 4.350 -0.001 0.000 0.161 554 T C 1.010 175.535 174.700 -0.292 0.000 0.859 554 T CA 0.123 61.977 62.100 -0.410 0.000 1.015 554 T CB -0.803 67.662 68.868 -0.673 0.000 2.138 554 T HN 0.331 nan 8.240 nan 0.000 0.367 555 G N 2.187 110.815 108.800 -0.287 0.000 2.380 555 G HA2 0.477 4.437 3.960 -0.001 0.000 0.242 555 G HA3 0.477 4.437 3.960 -0.001 0.000 0.242 555 G C -0.919 173.718 174.900 -0.437 0.000 1.298 555 G CA -0.335 44.549 45.100 -0.361 0.000 0.878 555 G HN 0.649 nan 8.290 nan 0.000 0.542 556 K N 0.858 120.761 120.400 -0.828 0.000 2.378 556 K HA 0.531 4.850 4.320 -0.001 0.000 0.252 556 K C -1.509 174.428 176.600 -1.104 0.000 0.931 556 K CA -0.495 55.444 56.287 -0.580 0.000 0.794 556 K CB 2.277 34.648 32.500 -0.215 0.000 1.181 556 K HN 0.376 nan 8.250 nan 0.000 0.425 557 F N 1.361 121.258 119.950 -0.089 0.000 2.579 557 F HA 0.244 4.771 4.527 -0.001 0.000 0.325 557 F C 0.154 175.738 175.800 -0.359 0.000 1.162 557 F CA -0.962 56.931 58.000 -0.179 0.000 0.946 557 F CB 1.428 40.372 39.000 -0.093 0.000 1.211 557 F HN 0.444 nan 8.300 nan 0.000 0.447 558 N N 2.334 120.725 118.700 -0.514 0.000 2.497 558 N HA 0.114 4.853 4.740 -0.001 0.000 0.271 558 N C 0.928 176.298 175.510 -0.233 0.000 1.142 558 N CA -0.034 52.537 53.050 -0.799 0.000 0.965 558 N CB 1.604 39.515 38.487 -0.960 0.000 1.077 558 N HN 0.470 nan 8.380 nan 0.000 0.462 559 V N 4.435 124.268 119.914 -0.135 0.000 2.255 559 V HA -0.274 3.845 4.120 -0.001 0.000 0.247 559 V C 1.801 177.930 176.094 0.059 0.000 1.051 559 V CA 1.718 64.028 62.300 0.017 0.000 1.018 559 V CB -1.060 30.809 31.823 0.077 0.000 0.641 559 V HN 0.740 nan 8.190 nan 0.000 0.445 560 Y N 1.699 121.989 120.300 -0.017 0.000 2.145 560 Y HA -0.223 4.327 4.550 -0.001 0.000 0.286 560 Y C 2.535 178.470 175.900 0.059 0.000 1.145 560 Y CA 2.105 60.225 58.100 0.034 0.000 1.148 560 Y CB -0.294 38.192 38.460 0.042 0.000 0.981 560 Y HN 0.307 nan 8.280 nan 0.000 0.507 561 N N -0.957 117.831 118.700 0.147 0.000 2.309 561 N HA -0.117 4.622 4.740 -0.001 0.000 0.182 561 N C 1.615 177.193 175.510 0.113 0.000 1.018 561 N CA 1.688 54.822 53.050 0.140 0.000 0.876 561 N CB -0.481 38.132 38.487 0.210 0.000 0.972 561 N HN 0.393 nan 8.380 nan 0.000 0.434 562 T N 1.561 116.164 114.554 0.083 0.000 2.852 562 T HA 0.001 4.350 4.350 -0.001 0.000 0.256 562 T C 2.029 176.759 174.700 0.051 0.000 1.038 562 T CA 0.848 63.013 62.100 0.110 0.000 1.141 562 T CB -0.089 68.840 68.868 0.101 0.000 0.869 562 T HN 0.369 nan 8.240 nan 0.000 0.439 563 M N 2.063 121.658 119.600 -0.009 0.000 2.279 563 M HA -0.022 4.458 4.480 -0.001 0.000 0.264 563 M C 1.963 178.229 176.300 -0.056 0.000 1.062 563 M CA 1.844 57.125 55.300 -0.031 0.000 1.099 563 M CB -0.967 31.606 32.600 -0.044 0.000 1.394 563 M HN 0.218 nan 8.290 nan 0.000 0.426 564 T N -4.178 110.296 114.554 -0.133 0.000 3.069 564 T HA 0.172 4.521 4.350 -0.001 0.000 0.252 564 T C -0.046 174.656 174.700 0.002 0.000 1.053 564 T CA 0.001 62.042 62.100 -0.099 0.000 0.964 564 T CB -0.237 68.431 68.868 -0.332 0.000 1.005 564 T HN 0.461 nan 8.240 nan 0.000 0.532 565 D N 1.270 121.690 120.400 0.033 0.000 2.699 565 D HA -0.109 4.531 4.640 -0.001 0.000 0.239 565 D C -0.704 175.484 176.300 -0.186 0.000 1.136 565 D CA 0.902 54.910 54.000 0.015 0.000 0.668 565 D CB -1.941 38.747 40.800 -0.187 0.000 1.060 565 D HN 0.427 nan 8.370 nan 0.000 0.429 566 T N 1.244 115.784 114.554 -0.024 0.000 2.811 566 T HA 0.489 4.839 4.350 -0.001 0.000 0.309 566 T C -0.045 174.680 174.700 0.041 0.000 1.005 566 T CA -0.429 61.628 62.100 -0.071 0.000 0.955 566 T CB 0.217 69.092 68.868 0.012 0.000 0.970 566 T HN 0.261 nan 8.240 nan 0.000 0.496 567 Y N 0.000 120.379 120.300 0.132 0.000 2.660 567 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 567 Y CA 0.000 58.193 58.100 0.156 0.000 1.940 567 Y CB 0.000 38.590 38.460 0.217 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758