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 2c81_1_A DATA FIRST_RESID 8 DATA SEQUENCE WPEWPQHSDR TRRKIEEVFQ SNRWAISGYW TGEESMERKF AKAFADFNGV DATA SEQUENCE PYCVPTTSGS TALMLALEAL GIGEGDEVIV PSLTWIATAT AVLNVNALPV DATA SEQUENCE FVDVEADTYC IDPQLIKSAI TDKTKAIIPV HLFGSMANMD EINEIAQEHN DATA SEQUENCE LFVIEDCAQS HGSVWNNQRA GTIGDIGAFS CQQGKVLTAG EGGIIVTKNP DATA SEQUENCE RLFELIQQLR ADSRVYCDDS SELMHGDMQL VKKGDIQGSN YCLSEFQSAI DATA SEQUENCE LLDQLQELDD KNAIREKNAM FLNDALSKID GIKVMKRPPQ VSRQTYYGYV DATA SEQUENCE FRFDPVKFGG LNADQFCEIL REKLNMGTFY LHPPYLPVHK NPLFCPWTKN DATA SEQUENCE RYLKSVRKTE AYWRGLHYPV SERASGQSIV IHHAILLAEP SHLSLLVDAV DATA SEQUENCE AELARKFCV 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 8 W HA 0.000 nan 4.660 nan 0.000 0.303 8 W C 0.000 176.473 176.519 -0.076 0.000 1.175 8 W CA 0.000 57.297 57.345 -0.080 0.000 1.226 8 W CB 0.000 29.372 29.460 -0.147 0.000 1.126 9 P HA 0.152 nan 4.420 nan 0.000 0.268 9 P C -0.668 176.694 177.300 0.104 0.000 1.205 9 P CA -0.000 63.205 63.100 0.174 0.000 0.771 9 P CB 0.943 32.776 31.700 0.222 0.000 0.858 10 E N 0.873 121.163 120.200 0.149 0.000 2.281 10 E HA 0.559 4.909 4.350 -0.000 0.000 0.257 10 E C -1.590 175.272 176.600 0.437 0.000 0.971 10 E CA -0.835 55.674 56.400 0.182 0.000 0.839 10 E CB 1.288 31.060 29.700 0.120 0.000 1.238 10 E HN 0.437 nan 8.360 nan 0.000 0.412 11 W N 2.889 124.332 121.300 0.239 0.000 3.138 11 W HA 0.364 5.024 4.660 -0.000 0.000 0.331 11 W C -2.553 174.015 176.519 0.081 0.000 1.166 11 W CA -1.614 55.858 57.345 0.213 0.000 1.212 11 W CB 1.562 31.225 29.460 0.338 0.000 1.399 11 W HN 0.550 nan 8.180 nan 0.000 0.514 12 P HA 0.202 nan 4.420 nan 0.000 0.277 12 P C -1.447 175.488 177.300 -0.608 0.000 1.276 12 P CA 0.259 62.705 63.100 -1.090 0.000 0.788 12 P CB 1.312 32.578 31.700 -0.723 0.000 1.114 13 Q N -0.460 118.911 119.800 -0.716 0.000 2.331 13 Q HA 0.397 4.737 4.340 -0.000 0.000 0.272 13 Q C -0.319 175.604 176.000 -0.129 0.000 1.062 13 Q CA -0.697 54.950 55.803 -0.260 0.000 0.806 13 Q CB 2.384 31.036 28.738 -0.145 0.000 1.312 13 Q HN 0.671 nan 8.270 nan 0.000 0.431 14 H N -0.849 118.132 119.070 -0.150 0.000 2.960 14 H HA 0.781 5.337 4.556 -0.000 0.000 0.338 14 H C -1.144 174.148 175.328 -0.059 0.000 1.261 14 H CA -0.724 55.259 56.048 -0.108 0.000 1.136 14 H CB 1.826 31.522 29.762 -0.110 0.000 1.875 14 H HN 0.717 nan 8.280 nan 0.000 0.550 15 S N -0.499 115.096 115.700 -0.176 0.000 2.752 15 S HA 0.188 4.658 4.470 -0.000 0.000 0.284 15 S C -0.306 174.275 174.600 -0.032 0.000 1.189 15 S CA -0.565 57.516 58.200 -0.198 0.000 0.835 15 S CB 1.503 64.643 63.200 -0.100 0.000 1.192 15 S HN 0.525 nan 8.310 nan 0.000 0.506 16 D N 0.419 120.802 120.400 -0.028 0.000 2.310 16 D HA 0.047 4.687 4.640 -0.000 0.000 0.212 16 D C 1.841 178.157 176.300 0.026 0.000 0.965 16 D CA 0.665 54.675 54.000 0.017 0.000 0.879 16 D CB -0.117 40.686 40.800 0.005 0.000 0.921 16 D HN 0.356 nan 8.370 nan 0.000 0.510 17 R N -0.027 120.482 120.500 0.015 0.000 2.092 17 R HA -0.030 4.310 4.340 -0.000 0.000 0.231 17 R C 2.014 178.329 176.300 0.026 0.000 1.119 17 R CA 1.044 57.156 56.100 0.019 0.000 0.970 17 R CB -0.712 29.596 30.300 0.013 0.000 0.864 17 R HN 0.204 nan 8.270 nan 0.000 0.440 18 T N 1.011 115.588 114.554 0.038 0.000 2.777 18 T HA -0.078 4.272 4.350 -0.000 0.000 0.266 18 T C 1.892 176.613 174.700 0.036 0.000 1.040 18 T CA 1.051 63.173 62.100 0.037 0.000 1.141 18 T CB -0.110 68.803 68.868 0.075 0.000 0.868 18 T HN 0.297 nan 8.240 nan 0.000 0.444 19 R N 0.648 121.187 120.500 0.064 0.000 2.096 19 R HA 0.046 4.386 4.340 -0.000 0.000 0.235 19 R C 2.718 179.051 176.300 0.055 0.000 1.127 19 R CA 1.029 57.165 56.100 0.059 0.000 0.968 19 R CB -0.230 30.114 30.300 0.073 0.000 0.861 19 R HN 0.275 nan 8.270 nan 0.000 0.440 20 R N 0.969 121.496 120.500 0.044 0.000 2.081 20 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 20 R C 1.982 178.300 176.300 0.030 0.000 1.131 20 R CA 1.334 57.458 56.100 0.040 0.000 0.960 20 R CB 0.113 30.431 30.300 0.030 0.000 0.856 20 R HN -0.029 nan 8.270 nan 0.000 0.436 21 K N 0.386 120.795 120.400 0.014 0.000 2.057 21 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 21 K C 2.011 178.592 176.600 -0.031 0.000 1.049 21 K CA 0.917 57.197 56.287 -0.011 0.000 0.931 21 K CB -0.203 32.285 32.500 -0.020 0.000 0.714 21 K HN 0.237 nan 8.250 nan 0.000 0.440 22 I N 1.238 121.800 120.570 -0.014 0.000 2.226 22 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 22 I C 2.308 178.426 176.117 0.001 0.000 1.100 22 I CA 1.254 62.533 61.300 -0.036 0.000 1.374 22 I CB -0.911 37.089 38.000 0.000 0.000 1.057 22 I HN 0.170 nan 8.210 nan 0.000 0.413 23 E N 1.414 121.691 120.200 0.128 0.000 2.153 23 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 23 E C 2.014 178.709 176.600 0.157 0.000 0.988 23 E CA 1.383 57.926 56.400 0.239 0.000 0.811 23 E CB -0.103 29.695 29.700 0.162 0.000 0.746 23 E HN 0.465 nan 8.360 nan 0.000 0.466 24 E N -0.684 119.547 120.200 0.053 0.000 2.110 24 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 24 E C 2.067 178.651 176.600 -0.027 0.000 0.988 24 E CA 1.226 57.635 56.400 0.015 0.000 0.804 24 E CB 0.065 29.755 29.700 -0.016 0.000 0.745 24 E HN 0.142 nan 8.360 nan 0.000 0.458 25 V N 0.663 120.501 119.914 -0.127 0.000 2.358 25 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 25 V C 1.883 177.926 176.094 -0.086 0.000 1.047 25 V CA 1.541 63.676 62.300 -0.274 0.000 1.035 25 V CB -0.488 30.921 31.823 -0.691 0.000 0.658 25 V HN 0.184 nan 8.190 nan 0.000 0.452 26 F N 0.130 120.133 119.950 0.089 0.000 2.171 26 F HA -0.158 4.369 4.527 0.000 0.000 0.300 26 F C 2.623 178.527 175.800 0.173 0.000 1.090 26 F CA 1.228 59.364 58.000 0.227 0.000 1.293 26 F CB -0.715 38.393 39.000 0.181 0.000 1.013 26 F HN 0.144 nan 8.300 nan 0.000 0.486 27 Q N -0.141 119.823 119.800 0.273 0.000 2.167 27 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 27 Q C 2.457 178.520 176.000 0.105 0.000 0.970 27 Q CA 1.668 57.568 55.803 0.161 0.000 0.855 27 Q CB -0.906 27.894 28.738 0.104 0.000 0.911 27 Q HN 0.506 nan 8.270 nan 0.000 0.438 28 S N 0.144 115.882 115.700 0.063 0.000 2.461 28 S HA -0.096 4.374 4.470 -0.000 0.000 0.228 28 S C 0.961 175.559 174.600 -0.004 0.000 1.005 28 S CA 0.739 58.932 58.200 -0.012 0.000 0.942 28 S CB -0.132 63.012 63.200 -0.094 0.000 0.776 28 S HN 0.396 nan 8.310 nan 0.000 0.514 29 N N 1.115 119.872 118.700 0.096 0.000 2.714 29 N HA -0.223 4.517 4.740 -0.000 0.000 0.250 29 N C -0.208 175.193 175.510 -0.182 0.000 1.117 29 N CA 0.937 54.011 53.050 0.039 0.000 0.719 29 N CB -1.371 37.114 38.487 -0.003 0.000 1.081 29 N HN 0.758 nan 8.380 nan 0.000 0.557 30 R N -0.047 120.400 120.500 -0.088 0.000 2.371 30 R HA 0.244 4.584 4.340 -0.000 0.000 0.312 30 R C -0.166 176.142 176.300 0.012 0.000 0.980 30 R CA -0.595 55.395 56.100 -0.184 0.000 0.867 30 R CB 0.153 30.313 30.300 -0.233 0.000 1.163 30 R HN 0.173 nan 8.270 nan 0.000 0.492 31 W N 2.390 123.507 121.300 -0.305 0.000 3.107 31 W HA 0.395 5.055 4.660 -0.000 0.000 0.293 31 W C 0.242 176.604 176.519 -0.262 0.000 1.239 31 W CA -0.308 56.799 57.345 -0.397 0.000 1.653 31 W CB 0.409 29.756 29.460 -0.188 0.000 1.068 31 W HN 0.513 nan 8.180 nan 0.000 0.615 32 A N 0.561 123.397 122.820 0.026 0.000 2.498 32 A HA 0.528 4.847 4.320 -0.000 0.000 0.298 32 A C 0.698 178.283 177.584 0.002 0.000 1.075 32 A CA -0.549 51.499 52.037 0.018 0.000 0.714 32 A CB 0.805 19.830 19.000 0.042 0.000 1.299 32 A HN 0.144 nan 8.150 nan 0.000 0.407 33 I N -0.686 119.905 120.570 0.036 0.000 2.830 33 I HA -0.060 4.110 4.170 -0.000 0.000 0.263 33 I C 1.402 177.564 176.117 0.076 0.000 1.230 33 I CA 1.933 63.279 61.300 0.077 0.000 1.480 33 I CB -0.063 38.014 38.000 0.129 0.000 1.095 33 I HN 0.436 nan 8.210 nan 0.000 0.455 34 S N 0.728 116.454 115.700 0.044 0.000 2.593 34 S HA 0.302 4.772 4.470 -0.000 0.000 0.217 34 S C 1.171 175.788 174.600 0.027 0.000 0.966 34 S CA -0.072 58.151 58.200 0.038 0.000 0.914 34 S CB -0.649 62.564 63.200 0.021 0.000 0.776 34 S HN 0.557 nan 8.310 nan 0.000 0.523 35 G N 1.107 109.898 108.800 -0.014 0.000 2.562 35 G HA2 0.490 4.450 3.960 -0.000 0.000 0.275 35 G HA3 0.490 4.450 3.960 -0.000 0.000 0.275 35 G C -0.307 174.565 174.900 -0.047 0.000 1.196 35 G CA -0.980 44.054 45.100 -0.111 0.000 0.908 35 G HN 0.473 nan 8.290 nan 0.000 0.524 36 Y N -1.708 118.594 120.300 0.003 0.000 2.298 36 Y HA 0.458 5.008 4.550 -0.000 0.000 0.329 36 Y C 0.494 176.414 175.900 0.033 0.000 1.293 36 Y CA -2.773 55.349 58.100 0.037 0.000 1.388 36 Y CB 0.622 39.094 38.460 0.020 0.000 1.309 36 Y HN 0.569 nan 8.280 nan 0.000 0.544 37 W N 3.633 125.014 121.300 0.135 0.000 2.264 37 W HA 0.136 4.796 4.660 -0.000 0.000 0.331 37 W C -0.140 176.316 176.519 -0.106 0.000 1.364 37 W CA 0.772 58.124 57.345 0.011 0.000 1.253 37 W CB 1.174 30.647 29.460 0.022 0.000 1.215 37 W HN 0.869 nan 8.180 nan 0.000 0.561 38 T N 2.018 116.246 114.554 -0.544 0.000 3.228 38 T HA 0.380 4.730 4.350 -0.000 0.000 0.278 38 T C 0.900 175.373 174.700 -0.378 0.000 1.014 38 T CA 0.283 62.049 62.100 -0.557 0.000 0.904 38 T CB 0.318 68.989 68.868 -0.328 0.000 1.110 38 T HN 0.851 nan 8.240 nan 0.000 0.541 39 G N 1.061 109.453 108.800 -0.679 0.000 2.612 39 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.200 39 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.200 39 G C -0.255 174.433 174.900 -0.354 0.000 1.053 39 G CA -0.274 44.687 45.100 -0.232 0.000 0.707 39 G HN 0.601 nan 8.290 nan 0.000 0.497 40 E N 0.298 120.039 120.200 -0.766 0.000 2.378 40 E HA 0.553 4.903 4.350 -0.000 0.000 0.265 40 E C -0.716 175.322 176.600 -0.937 0.000 0.932 40 E CA -1.033 55.048 56.400 -0.532 0.000 0.795 40 E CB 1.815 31.376 29.700 -0.230 0.000 1.296 40 E HN 0.131 nan 8.360 nan 0.000 0.438 41 E N 1.114 121.124 120.200 -0.318 0.000 2.437 41 E HA -0.005 4.345 4.350 -0.000 0.000 0.263 41 E C -0.686 175.803 176.600 -0.185 0.000 1.030 41 E CA 0.064 56.397 56.400 -0.112 0.000 0.934 41 E CB 0.522 30.279 29.700 0.095 0.000 0.943 41 E HN 0.458 nan 8.360 nan 0.000 0.444 42 S N 4.273 119.932 115.700 -0.069 0.000 2.593 42 S HA 0.046 4.516 4.470 -0.000 0.000 0.269 42 S C 1.300 175.888 174.600 -0.020 0.000 1.334 42 S CA -0.688 57.478 58.200 -0.057 0.000 1.015 42 S CB 0.702 63.924 63.200 0.037 0.000 0.912 42 S HN 0.603 nan 8.310 nan 0.000 0.541 43 M N 0.806 120.383 119.600 -0.038 0.000 2.229 43 M HA -0.051 4.429 4.480 -0.000 0.000 0.264 43 M C 2.216 178.563 176.300 0.079 0.000 1.063 43 M CA 1.376 56.672 55.300 -0.006 0.000 1.114 43 M CB -1.498 31.061 32.600 -0.069 0.000 1.387 43 M HN 0.977 nan 8.290 nan 0.000 0.420 44 E N 0.479 120.731 120.200 0.087 0.000 2.058 44 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 44 E C 2.063 178.788 176.600 0.208 0.000 0.997 44 E CA 1.156 57.661 56.400 0.175 0.000 0.801 44 E CB 0.108 29.917 29.700 0.182 0.000 0.746 44 E HN 0.419 nan 8.360 nan 0.000 0.450 45 R N 0.281 120.859 120.500 0.131 0.000 2.115 45 R HA -0.048 4.292 4.340 -0.000 0.000 0.226 45 R C 2.407 178.751 176.300 0.073 0.000 1.100 45 R CA 0.760 56.902 56.100 0.070 0.000 0.980 45 R CB -0.151 30.125 30.300 -0.038 0.000 0.875 45 R HN 0.147 nan 8.270 nan 0.000 0.445 46 K N -0.070 120.383 120.400 0.088 0.000 2.057 46 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 46 K C 1.900 178.572 176.600 0.120 0.000 1.050 46 K CA 1.203 57.539 56.287 0.083 0.000 0.935 46 K CB -0.219 32.324 32.500 0.071 0.000 0.715 46 K HN 0.051 nan 8.250 nan 0.000 0.439 47 F N 1.747 121.721 119.950 0.040 0.000 2.146 47 F HA -0.079 4.448 4.527 0.000 0.000 0.298 47 F C 2.116 177.979 175.800 0.104 0.000 1.096 47 F CA 1.056 59.089 58.000 0.054 0.000 1.275 47 F CB -0.454 38.559 39.000 0.022 0.000 1.008 47 F HN -0.055 nan 8.300 nan 0.000 0.480 48 A N 0.855 123.627 122.820 -0.080 0.000 1.908 48 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 48 A C 2.387 179.911 177.584 -0.099 0.000 1.181 48 A CA 1.879 53.851 52.037 -0.108 0.000 0.627 48 A CB -0.870 18.204 19.000 0.123 0.000 0.818 48 A HN 0.344 nan 8.150 nan 0.000 0.445 49 K N 0.114 120.486 120.400 -0.047 0.000 2.057 49 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 49 K C 2.154 178.715 176.600 -0.064 0.000 1.049 49 K CA 1.535 57.796 56.287 -0.043 0.000 0.931 49 K CB -0.563 31.929 32.500 -0.014 0.000 0.714 49 K HN 0.356 nan 8.250 nan 0.000 0.440 50 A N 0.298 123.077 122.820 -0.069 0.000 1.898 50 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 50 A C 2.107 179.650 177.584 -0.068 0.000 1.181 50 A CA 1.208 53.218 52.037 -0.044 0.000 0.620 50 A CB -0.749 18.257 19.000 0.010 0.000 0.819 50 A HN 0.394 nan 8.150 nan 0.000 0.442 51 F N 0.704 120.419 119.950 -0.392 0.000 2.259 51 F HA 0.062 4.589 4.527 0.000 0.000 0.298 51 F C 2.482 178.205 175.800 -0.128 0.000 1.088 51 F CA 0.707 58.500 58.000 -0.345 0.000 1.358 51 F CB -0.279 38.268 39.000 -0.754 0.000 1.040 51 F HN 0.246 nan 8.300 nan 0.000 0.505 52 A N -0.125 122.627 122.820 -0.113 0.000 1.902 52 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 52 A C 2.044 179.527 177.584 -0.167 0.000 1.181 52 A CA 1.966 53.922 52.037 -0.134 0.000 0.623 52 A CB -0.901 18.032 19.000 -0.111 0.000 0.818 52 A HN 0.366 nan 8.150 nan 0.000 0.443 53 D N -1.055 119.273 120.400 -0.120 0.000 2.117 53 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 53 D C 1.639 177.876 176.300 -0.106 0.000 0.987 53 D CA 1.292 55.234 54.000 -0.097 0.000 0.829 53 D CB -0.466 40.305 40.800 -0.048 0.000 0.961 53 D HN 0.462 nan 8.370 nan 0.000 0.460 54 F N 1.773 121.562 119.950 -0.269 0.000 2.095 54 F HA -0.193 4.334 4.527 0.000 0.000 0.298 54 F C 1.766 177.361 175.800 -0.342 0.000 1.104 54 F CA 1.368 59.190 58.000 -0.297 0.000 1.232 54 F CB -0.255 38.516 39.000 -0.382 0.000 0.987 54 F HN -0.166 nan 8.300 nan 0.000 0.475 55 N N -0.003 118.406 118.700 -0.484 0.000 2.461 55 N HA 0.123 4.863 4.740 -0.000 0.000 0.188 55 N C 0.863 176.208 175.510 -0.276 0.000 1.134 55 N CA 0.902 53.680 53.050 -0.452 0.000 0.878 55 N CB -0.061 38.193 38.487 -0.388 0.000 0.972 55 N HN 0.420 nan 8.380 nan 0.000 0.456 56 G N 0.162 108.817 108.800 -0.242 0.000 2.305 56 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.287 56 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.287 56 G C -0.319 174.497 174.900 -0.139 0.000 1.036 56 G CA 0.690 45.688 45.100 -0.171 0.000 0.887 56 G HN 0.310 nan 8.290 nan 0.000 0.505 57 V N -0.366 119.461 119.914 -0.146 0.000 2.628 57 V HA 0.666 4.786 4.120 -0.000 0.000 0.306 57 V C -0.809 175.158 176.094 -0.213 0.000 1.045 57 V CA -1.465 60.762 62.300 -0.122 0.000 0.905 57 V CB 1.958 33.758 31.823 -0.038 0.000 0.997 57 V HN 0.059 nan 8.190 nan 0.000 0.436 58 P HA -0.032 nan 4.420 nan 0.000 0.215 58 P C -1.040 175.668 177.300 -0.986 0.000 1.153 58 P CA 1.466 64.148 63.100 -0.697 0.000 0.853 58 P CB 0.053 31.243 31.700 -0.850 0.000 0.788 59 Y N -2.653 117.524 120.300 -0.204 0.000 2.462 59 Y HA 0.527 5.077 4.550 -0.000 0.000 0.346 59 Y C -0.292 175.563 175.900 -0.076 0.000 0.976 59 Y CA -1.306 56.582 58.100 -0.353 0.000 1.044 59 Y CB 1.358 39.469 38.460 -0.582 0.000 1.230 59 Y HN -0.166 nan 8.280 nan 0.000 0.455 60 C N 3.124 122.517 119.300 0.155 0.000 2.608 60 C HA 0.894 5.353 4.460 -0.000 0.000 0.325 60 C C -1.544 173.661 174.990 0.357 0.000 1.147 60 C CA -0.540 58.626 59.018 0.247 0.000 1.359 60 C CB 0.133 27.976 27.740 0.170 0.000 1.912 60 C HN 0.653 nan 8.230 nan 0.000 0.466 61 V N 7.885 128.002 119.914 0.339 0.000 2.447 61 V HA 0.428 4.548 4.120 -0.000 0.000 0.292 61 V C -2.253 173.985 176.094 0.239 0.000 1.021 61 V CA -1.126 61.367 62.300 0.322 0.000 0.850 61 V CB 1.759 33.746 31.823 0.274 0.000 1.005 61 V HN 0.769 nan 8.190 nan 0.000 0.426 62 P HA 0.422 nan 4.420 nan 0.000 0.274 62 P C -0.138 177.261 177.300 0.165 0.000 1.231 62 P CA 0.322 63.559 63.100 0.228 0.000 0.790 62 P CB 1.084 32.964 31.700 0.301 0.000 0.951 63 T N -1.190 113.442 114.554 0.129 0.000 2.618 63 T HA 0.343 4.693 4.350 -0.000 0.000 0.293 63 T C 1.214 175.970 174.700 0.094 0.000 1.093 63 T CA 0.143 62.312 62.100 0.115 0.000 1.061 63 T CB 0.139 69.065 68.868 0.096 0.000 1.498 63 T HN 0.401 nan 8.240 nan 0.000 0.494 64 T N -0.303 114.315 114.554 0.107 0.000 2.985 64 T HA 0.294 4.644 4.350 -0.000 0.000 0.266 64 T C 0.886 175.627 174.700 0.068 0.000 1.076 64 T CA 0.981 63.139 62.100 0.096 0.000 1.135 64 T CB -0.390 68.570 68.868 0.153 0.000 0.890 64 T HN 1.012 nan 8.240 nan 0.000 0.480 65 S N -1.584 114.149 115.700 0.054 0.000 2.611 65 S HA 0.615 5.085 4.470 -0.000 0.000 0.268 65 S C 1.038 175.667 174.600 0.049 0.000 1.156 65 S CA -0.446 57.787 58.200 0.054 0.000 0.817 65 S CB 1.022 64.254 63.200 0.055 0.000 1.122 65 S HN 0.193 nan 8.310 nan 0.000 0.466 66 G N 1.014 109.853 108.800 0.066 0.000 2.422 66 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.218 66 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.218 66 G C 1.216 176.132 174.900 0.028 0.000 1.140 66 G CA 1.044 46.179 45.100 0.059 0.000 0.775 66 G HN 0.736 nan 8.290 nan 0.000 0.545 67 S N 0.352 116.077 115.700 0.040 0.000 2.368 67 S HA -0.106 4.363 4.470 -0.000 0.000 0.225 67 S C 2.510 177.078 174.600 -0.052 0.000 1.030 67 S CA 1.680 59.889 58.200 0.015 0.000 0.999 67 S CB -0.389 62.842 63.200 0.051 0.000 0.844 67 S HN 0.409 nan 8.310 nan 0.000 0.459 68 T N 2.136 116.640 114.554 -0.082 0.000 2.904 68 T HA 0.087 4.437 4.350 -0.000 0.000 0.267 68 T C 2.124 176.720 174.700 -0.173 0.000 1.059 68 T CA 0.964 62.935 62.100 -0.215 0.000 1.137 68 T CB -0.385 68.302 68.868 -0.302 0.000 0.879 68 T HN 0.432 nan 8.240 nan 0.000 0.467 69 A N 1.391 124.168 122.820 -0.073 0.000 1.908 69 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 69 A C 2.256 179.811 177.584 -0.049 0.000 1.181 69 A CA 1.262 53.282 52.037 -0.027 0.000 0.627 69 A CB -0.852 18.171 19.000 0.039 0.000 0.818 69 A HN 0.466 nan 8.150 nan 0.000 0.445 70 L N -1.411 119.776 121.223 -0.061 0.000 2.017 70 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 70 L C 2.839 179.657 176.870 -0.086 0.000 1.073 70 L CA 1.804 56.599 54.840 -0.075 0.000 0.745 70 L CB -0.404 41.609 42.059 -0.077 0.000 0.894 70 L HN 0.578 nan 8.230 nan 0.000 0.432 71 M N -0.199 119.338 119.600 -0.104 0.000 2.080 71 M HA -0.245 4.234 4.480 -0.000 0.000 0.260 71 M C 2.230 178.465 176.300 -0.109 0.000 1.068 71 M CA 1.890 57.123 55.300 -0.112 0.000 1.109 71 M CB -0.057 32.455 32.600 -0.146 0.000 1.342 71 M HN 0.183 nan 8.290 nan 0.000 0.405 72 L N -0.073 121.073 121.223 -0.128 0.000 2.141 72 L HA -0.132 4.208 4.340 -0.000 0.000 0.209 72 L C 2.759 179.589 176.870 -0.067 0.000 1.094 72 L CA 0.946 55.731 54.840 -0.092 0.000 0.763 72 L CB -1.129 40.879 42.059 -0.085 0.000 0.908 72 L HN 0.418 nan 8.230 nan 0.000 0.437 73 A N 0.534 123.315 122.820 -0.065 0.000 1.902 73 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 73 A C 2.268 179.794 177.584 -0.097 0.000 1.181 73 A CA 1.422 53.418 52.037 -0.067 0.000 0.623 73 A CB -0.645 18.320 19.000 -0.059 0.000 0.818 73 A HN 0.345 nan 8.150 nan 0.000 0.443 74 L N -0.745 120.425 121.223 -0.088 0.000 2.046 74 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 74 L C 2.623 179.442 176.870 -0.084 0.000 1.077 74 L CA 1.657 56.445 54.840 -0.086 0.000 0.747 74 L CB -0.617 41.401 42.059 -0.069 0.000 0.896 74 L HN 0.466 nan 8.230 nan 0.000 0.432 75 E N 0.169 120.327 120.200 -0.070 0.000 2.077 75 E HA -0.224 4.126 4.350 -0.000 0.000 0.193 75 E C 2.288 178.844 176.600 -0.072 0.000 0.989 75 E CA 1.152 57.519 56.400 -0.055 0.000 0.800 75 E CB -0.186 29.492 29.700 -0.036 0.000 0.746 75 E HN 0.506 nan 8.360 nan 0.000 0.452 76 A N 1.006 123.772 122.820 -0.089 0.000 2.019 76 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 76 A C 2.027 179.509 177.584 -0.170 0.000 1.164 76 A CA 0.892 52.865 52.037 -0.106 0.000 0.644 76 A CB -0.375 18.570 19.000 -0.092 0.000 0.805 76 A HN 0.142 nan 8.150 nan 0.000 0.449 77 L N -1.171 119.906 121.223 -0.243 0.000 2.591 77 L HA 0.190 4.530 4.340 -0.000 0.000 0.228 77 L C 1.577 178.310 176.870 -0.228 0.000 1.133 77 L CA 0.475 55.046 54.840 -0.448 0.000 0.880 77 L CB -0.229 41.408 42.059 -0.702 0.000 1.033 77 L HN 0.564 nan 8.230 nan 0.000 0.450 78 G N 0.887 109.625 108.800 -0.104 0.000 2.143 78 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.248 78 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.248 78 G C 0.227 175.135 174.900 0.013 0.000 0.991 78 G CA -0.214 44.872 45.100 -0.022 0.000 0.689 78 G HN 0.296 nan 8.290 nan 0.000 0.522 79 I N 0.694 121.262 120.570 -0.002 0.000 2.575 79 I HA 0.554 4.724 4.170 -0.000 0.000 0.285 79 I C 1.208 177.326 176.117 0.002 0.000 1.085 79 I CA 0.916 62.226 61.300 0.017 0.000 1.403 79 I CB 1.218 39.224 38.000 0.009 0.000 1.409 79 I HN 0.329 nan 8.210 nan 0.000 0.557 80 G N 4.248 113.052 108.800 0.006 0.000 2.578 80 G HA2 0.166 4.126 3.960 -0.000 0.000 0.302 80 G HA3 0.166 4.126 3.960 -0.000 0.000 0.302 80 G C -1.240 173.660 174.900 -0.000 0.000 1.243 80 G CA -0.628 44.473 45.100 0.001 0.000 0.843 80 G HN 0.567 nan 8.290 nan 0.000 0.486 81 E N 0.011 120.212 120.200 0.002 0.000 2.502 81 E HA 0.343 4.693 4.350 -0.000 0.000 0.261 81 E C 1.293 177.893 176.600 0.001 0.000 0.974 81 E CA 1.388 57.788 56.400 0.001 0.000 0.936 81 E CB -0.003 29.699 29.700 0.004 0.000 0.926 81 E HN 1.888 nan 8.360 nan 0.000 0.459 82 G N 3.861 112.659 108.800 -0.002 0.000 2.195 82 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.246 82 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.246 82 G C -0.262 174.637 174.900 -0.001 0.000 0.984 82 G CA 0.235 45.334 45.100 -0.002 0.000 0.633 82 G HN 0.647 nan 8.290 nan 0.000 0.525 83 D N 0.764 121.163 120.400 -0.001 0.000 2.277 83 D HA 0.610 5.250 4.640 -0.000 0.000 0.250 83 D C 0.274 176.569 176.300 -0.009 0.000 1.032 83 D CA -0.105 53.895 54.000 0.000 0.000 0.947 83 D CB 1.229 42.036 40.800 0.011 0.000 1.159 83 D HN 0.459 nan 8.370 nan 0.000 0.460 84 E N -0.037 120.157 120.200 -0.011 0.000 2.238 84 E HA 0.550 4.900 4.350 -0.000 0.000 0.267 84 E C -1.128 175.451 176.600 -0.034 0.000 0.887 84 E CA -0.924 55.462 56.400 -0.023 0.000 0.769 84 E CB 2.511 32.199 29.700 -0.021 0.000 1.187 84 E HN 0.023 nan 8.360 nan 0.000 0.416 85 V N 3.983 123.862 119.914 -0.060 0.000 2.525 85 V HA 0.343 4.463 4.120 -0.000 0.000 0.299 85 V C -0.236 175.786 176.094 -0.119 0.000 1.034 85 V CA -0.673 61.582 62.300 -0.075 0.000 0.863 85 V CB 1.465 33.240 31.823 -0.080 0.000 0.999 85 V HN 0.629 nan 8.190 nan 0.000 0.423 86 I N 5.827 126.332 120.570 -0.109 0.000 2.416 86 I HA 0.461 4.631 4.170 -0.000 0.000 0.288 86 I C -0.029 175.998 176.117 -0.150 0.000 1.051 86 I CA -0.094 61.127 61.300 -0.131 0.000 1.375 86 I CB 1.314 39.251 38.000 -0.106 0.000 1.407 86 I HN 0.566 nan 8.210 nan 0.000 0.516 87 V N 5.111 124.913 119.914 -0.187 0.000 3.078 87 V HA 0.688 4.808 4.120 -0.000 0.000 0.311 87 V C -2.797 173.249 176.094 -0.080 0.000 1.138 87 V CA -2.267 59.939 62.300 -0.158 0.000 1.007 87 V CB 1.927 33.626 31.823 -0.206 0.000 1.045 87 V HN 0.470 nan 8.190 nan 0.000 0.432 88 P HA 0.243 nan 4.420 nan 0.000 0.278 88 P C 0.699 177.996 177.300 -0.005 0.000 1.238 88 P CA 0.167 63.231 63.100 -0.060 0.000 0.794 88 P CB 1.649 33.301 31.700 -0.080 0.000 0.955 89 S N 2.108 117.707 115.700 -0.168 0.000 2.406 89 S HA -0.068 4.402 4.470 -0.000 0.000 0.228 89 S C 0.944 175.412 174.600 -0.219 0.000 1.020 89 S CA 0.381 58.369 58.200 -0.355 0.000 0.965 89 S CB -0.591 62.262 63.200 -0.578 0.000 0.798 89 S HN 0.382 nan 8.310 nan 0.000 0.488 90 L N 2.051 123.198 121.223 -0.127 0.000 2.270 90 L HA 0.673 5.013 4.340 -0.000 0.000 0.286 90 L C -0.223 176.616 176.870 -0.052 0.000 1.059 90 L CA 0.639 55.438 54.840 -0.069 0.000 0.839 90 L CB 0.738 42.758 42.059 -0.064 0.000 1.221 90 L HN 0.347 nan 8.230 nan 0.000 0.431 91 T N 3.401 117.901 114.554 -0.089 0.000 2.652 91 T HA 0.109 4.459 4.350 -0.000 0.000 0.303 91 T C -1.825 172.652 174.700 -0.373 0.000 1.738 91 T CA -0.719 61.282 62.100 -0.165 0.000 0.969 91 T CB -0.089 68.695 68.868 -0.140 0.000 1.778 91 T HN 0.542 nan 8.240 nan 0.000 0.494 92 W N 3.717 124.607 121.300 -0.682 0.000 2.158 92 W HA 0.281 4.941 4.660 -0.000 0.000 0.339 92 W C 1.731 178.025 176.519 -0.375 0.000 1.294 92 W CA -0.242 56.676 57.345 -0.712 0.000 1.231 92 W CB 0.399 29.556 29.460 -0.506 0.000 1.143 92 W HN 0.830 nan 8.180 nan 0.000 0.571 93 I N 2.214 122.048 120.570 -1.226 0.000 2.530 93 I HA -0.209 3.961 4.170 -0.000 0.000 0.257 93 I C 1.896 177.629 176.117 -0.640 0.000 1.179 93 I CA 1.795 62.562 61.300 -0.888 0.000 1.440 93 I CB -0.772 36.723 38.000 -0.842 0.000 1.087 93 I HN 0.466 nan 8.210 nan 0.000 0.440 94 A N 1.687 124.066 122.820 -0.734 0.000 1.978 94 A HA -0.164 4.155 4.320 -0.000 0.000 0.220 94 A C 2.306 179.790 177.584 -0.166 0.000 1.170 94 A CA 2.429 54.304 52.037 -0.271 0.000 0.636 94 A CB -1.334 17.670 19.000 0.007 0.000 0.810 94 A HN 0.564 nan 8.150 nan 0.000 0.448 95 T N 0.056 114.508 114.554 -0.170 0.000 2.803 95 T HA -0.036 4.314 4.350 -0.000 0.000 0.269 95 T C 2.028 176.632 174.700 -0.160 0.000 1.052 95 T CA 1.647 63.662 62.100 -0.142 0.000 1.136 95 T CB -0.259 68.527 68.868 -0.138 0.000 0.864 95 T HN 0.618 nan 8.240 nan 0.000 0.467 96 A N 1.506 124.216 122.820 -0.184 0.000 1.956 96 A HA 0.055 4.375 4.320 -0.000 0.000 0.212 96 A C 2.570 180.079 177.584 -0.126 0.000 1.188 96 A CA 1.380 53.299 52.037 -0.197 0.000 0.675 96 A CB -0.829 18.022 19.000 -0.248 0.000 0.845 96 A HN 0.562 nan 8.150 nan 0.000 0.455 97 T N -2.092 112.412 114.554 -0.082 0.000 2.962 97 T HA 0.123 4.473 4.350 -0.000 0.000 0.270 97 T C 1.836 176.499 174.700 -0.062 0.000 1.088 97 T CA 1.341 63.415 62.100 -0.044 0.000 1.127 97 T CB -0.367 68.497 68.868 -0.007 0.000 0.883 97 T HN 0.454 nan 8.240 nan 0.000 0.493 98 A N 1.163 123.934 122.820 -0.081 0.000 1.972 98 A HA 0.105 4.425 4.320 -0.000 0.000 0.219 98 A C 2.557 180.088 177.584 -0.087 0.000 1.169 98 A CA 1.375 53.368 52.037 -0.073 0.000 0.635 98 A CB -0.951 18.000 19.000 -0.083 0.000 0.810 98 A HN 0.427 nan 8.150 nan 0.000 0.446 99 V N 0.026 119.870 119.914 -0.116 0.000 2.307 99 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 99 V C 2.517 178.521 176.094 -0.150 0.000 1.045 99 V CA 1.841 64.068 62.300 -0.123 0.000 1.024 99 V CB -0.766 30.973 31.823 -0.141 0.000 0.651 99 V HN 0.569 nan 8.190 nan 0.000 0.449 100 L N 0.281 121.360 121.223 -0.240 0.000 2.131 100 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 100 L C 2.365 179.054 176.870 -0.301 0.000 1.092 100 L CA 1.250 55.810 54.840 -0.466 0.000 0.759 100 L CB -0.754 40.718 42.059 -0.977 0.000 0.903 100 L HN 0.362 nan 8.230 nan 0.000 0.435 101 N N -0.003 118.657 118.700 -0.067 0.000 2.289 101 N HA -0.125 4.615 4.740 -0.000 0.000 0.184 101 N C 1.464 177.000 175.510 0.045 0.000 1.016 101 N CA 1.514 54.628 53.050 0.106 0.000 0.872 101 N CB -0.143 38.387 38.487 0.071 0.000 0.973 101 N HN 0.371 nan 8.380 nan 0.000 0.433 102 V N -2.967 116.937 119.914 -0.017 0.000 3.342 102 V HA 0.322 4.442 4.120 -0.000 0.000 0.322 102 V C 0.004 176.089 176.094 -0.015 0.000 1.370 102 V CA -0.191 62.102 62.300 -0.012 0.000 1.170 102 V CB -1.125 30.681 31.823 -0.028 0.000 1.101 102 V HN 0.205 nan 8.190 nan 0.000 0.442 103 N N -0.512 118.173 118.700 -0.026 0.000 2.850 103 N HA -0.145 4.595 4.740 -0.000 0.000 0.249 103 N C 0.345 175.830 175.510 -0.042 0.000 1.060 103 N CA 0.486 53.521 53.050 -0.026 0.000 0.825 103 N CB -1.166 37.324 38.487 0.005 0.000 1.132 103 N HN 0.933 nan 8.380 nan 0.000 0.564 104 A N 0.168 122.952 122.820 -0.061 0.000 2.269 104 A HA 0.796 5.116 4.320 -0.000 0.000 0.327 104 A C -0.339 177.210 177.584 -0.058 0.000 1.112 104 A CA -0.467 51.541 52.037 -0.048 0.000 0.865 104 A CB 1.014 19.988 19.000 -0.043 0.000 1.227 104 A HN 0.188 nan 8.150 nan 0.000 0.498 105 L N 1.871 123.077 121.223 -0.027 0.000 2.287 105 L HA 0.539 4.879 4.340 -0.000 0.000 0.287 105 L C -2.340 174.528 176.870 -0.003 0.000 1.022 105 L CA -1.828 53.023 54.840 0.019 0.000 0.814 105 L CB 1.701 43.783 42.059 0.040 0.000 1.217 105 L HN 0.418 nan 8.230 nan 0.000 0.420 106 P HA 0.147 nan 4.420 nan 0.000 0.280 106 P C -1.234 175.944 177.300 -0.204 0.000 1.244 106 P CA -0.193 62.788 63.100 -0.199 0.000 0.784 106 P CB 1.552 33.036 31.700 -0.360 0.000 0.913 107 V N 5.011 124.760 119.914 -0.275 0.000 2.350 107 V HA 0.271 4.390 4.120 -0.000 0.000 0.285 107 V C 0.093 176.025 176.094 -0.269 0.000 1.014 107 V CA -0.493 61.702 62.300 -0.176 0.000 0.831 107 V CB 0.342 32.124 31.823 -0.068 0.000 1.000 107 V HN 0.336 nan 8.190 nan 0.000 0.433 108 F N 3.827 123.760 119.950 -0.028 0.000 2.418 108 F HA 0.559 5.086 4.527 -0.000 0.000 0.341 108 F C 0.400 175.955 175.800 -0.408 0.000 1.120 108 F CA -0.237 57.576 58.000 -0.310 0.000 1.232 108 F CB 1.172 39.832 39.000 -0.567 0.000 1.175 108 F HN 0.160 nan 8.300 nan 0.000 0.569 109 V N 2.225 121.986 119.914 -0.255 0.000 2.789 109 V HA 0.227 4.347 4.120 -0.000 0.000 0.311 109 V C -0.374 175.560 176.094 -0.267 0.000 1.073 109 V CA -1.063 61.125 62.300 -0.186 0.000 0.921 109 V CB 2.022 33.795 31.823 -0.083 0.000 1.009 109 V HN 0.607 nan 8.190 nan 0.000 0.426 110 D N 1.427 121.762 120.400 -0.109 0.000 2.363 110 D HA 0.338 4.978 4.640 -0.000 0.000 0.240 110 D C 0.001 176.282 176.300 -0.032 0.000 1.236 110 D CA 0.192 54.164 54.000 -0.046 0.000 0.927 110 D CB 1.742 42.598 40.800 0.092 0.000 1.150 110 D HN 0.484 nan 8.370 nan 0.000 0.458 111 V N -1.420 118.493 119.914 -0.002 0.000 3.193 111 V HA 0.538 4.658 4.120 -0.000 0.000 0.320 111 V C 0.025 176.168 176.094 0.081 0.000 1.112 111 V CA -0.779 61.545 62.300 0.039 0.000 1.026 111 V CB 1.128 32.992 31.823 0.069 0.000 1.128 111 V HN 0.458 nan 8.190 nan 0.000 0.452 112 E N 0.756 121.018 120.200 0.103 0.000 2.354 112 E HA 0.462 4.812 4.350 -0.000 0.000 0.269 112 E C 1.113 177.802 176.600 0.148 0.000 1.036 112 E CA 0.118 56.576 56.400 0.096 0.000 0.876 112 E CB 1.615 31.358 29.700 0.071 0.000 1.009 112 E HN 0.870 nan 8.360 nan 0.000 0.416 113 A N 3.512 126.395 122.820 0.106 0.000 1.940 113 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 113 A C 1.363 178.942 177.584 -0.008 0.000 1.176 113 A CA 2.079 54.183 52.037 0.112 0.000 0.631 113 A CB -0.406 18.631 19.000 0.062 0.000 0.814 113 A HN 0.727 nan 8.150 nan 0.000 0.446 114 D N -2.287 118.085 120.400 -0.046 0.000 2.363 114 D HA 0.045 4.685 4.640 -0.000 0.000 0.214 114 D C 1.020 177.222 176.300 -0.162 0.000 1.093 114 D CA 1.080 55.002 54.000 -0.129 0.000 0.837 114 D CB -0.143 40.623 40.800 -0.057 0.000 0.948 114 D HN 0.434 nan 8.370 nan 0.000 0.507 115 T N -5.325 109.157 114.554 -0.120 0.000 3.029 115 T HA 0.029 4.379 4.350 -0.000 0.000 0.256 115 T C 0.286 175.022 174.700 0.060 0.000 0.914 115 T CA -0.203 61.867 62.100 -0.050 0.000 0.880 115 T CB -0.188 68.709 68.868 0.048 0.000 1.246 115 T HN -0.089 nan 8.240 nan 0.000 0.523 116 Y N 0.138 120.473 120.300 0.058 0.000 4.604 116 Y HA -0.210 4.340 4.550 0.000 0.000 0.230 116 Y C 0.589 176.517 175.900 0.047 0.000 1.066 116 Y CA -0.691 57.450 58.100 0.068 0.000 1.990 116 Y CB -2.686 35.855 38.460 0.134 0.000 1.619 116 Y HN 0.498 nan 8.280 nan 0.000 0.649 117 C N 0.188 119.592 119.300 0.173 0.000 2.399 117 C HA 0.631 5.091 4.460 -0.000 0.000 0.348 117 C C 1.423 176.434 174.990 0.034 0.000 1.183 117 C CA -1.502 57.562 59.018 0.077 0.000 2.023 117 C CB 1.410 29.189 27.740 0.064 0.000 2.361 117 C HN 0.404 nan 8.230 nan 0.000 0.521 118 I N 2.695 123.252 120.570 -0.022 0.000 2.996 118 I HA -0.110 4.060 4.170 -0.000 0.000 0.310 118 I C 0.283 176.386 176.117 -0.023 0.000 1.225 118 I CA 0.876 62.152 61.300 -0.041 0.000 1.442 118 I CB 0.202 38.154 38.000 -0.080 0.000 1.334 118 I HN 0.623 nan 8.210 nan 0.000 0.550 119 D N 10.108 130.501 120.400 -0.013 0.000 2.344 119 D HA 0.152 4.792 4.640 -0.000 0.000 0.253 119 D C -1.680 174.610 176.300 -0.015 0.000 1.255 119 D CA -2.045 51.955 54.000 -0.000 0.000 0.894 119 D CB 1.449 42.256 40.800 0.011 0.000 1.067 119 D HN 0.316 nan 8.370 nan 0.000 0.492 120 P HA -0.140 nan 4.420 nan 0.000 0.216 120 P C 0.969 178.259 177.300 -0.018 0.000 1.150 120 P CA 0.931 64.017 63.100 -0.023 0.000 0.837 120 P CB 0.304 31.997 31.700 -0.012 0.000 0.786 121 Q N -1.164 118.634 119.800 -0.003 0.000 2.515 121 Q HA 0.063 4.403 4.340 -0.000 0.000 0.212 121 Q C 1.521 177.518 176.000 -0.005 0.000 0.970 121 Q CA 0.782 56.585 55.803 0.000 0.000 0.941 121 Q CB -0.401 28.343 28.738 0.010 0.000 0.998 121 Q HN 0.405 nan 8.270 nan 0.000 0.518 122 L N -1.449 119.767 121.223 -0.012 0.000 2.817 122 L HA 0.212 4.552 4.340 -0.000 0.000 0.248 122 L C 1.659 178.513 176.870 -0.027 0.000 1.133 122 L CA -0.045 54.790 54.840 -0.009 0.000 0.935 122 L CB 0.206 42.269 42.059 0.007 0.000 1.266 122 L HN 0.081 nan 8.230 nan 0.000 0.535 123 I N 0.446 120.987 120.570 -0.049 0.000 2.202 123 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 123 I C 2.313 178.361 176.117 -0.114 0.000 1.091 123 I CA 1.360 62.612 61.300 -0.080 0.000 1.368 123 I CB -0.127 37.816 38.000 -0.095 0.000 1.058 123 I HN 0.213 nan 8.210 nan 0.000 0.410 124 K N 0.382 120.708 120.400 -0.123 0.000 2.044 124 K HA -0.228 4.092 4.320 -0.000 0.000 0.210 124 K C 2.268 178.806 176.600 -0.103 0.000 1.049 124 K CA 1.891 58.079 56.287 -0.164 0.000 0.927 124 K CB -0.414 32.035 32.500 -0.085 0.000 0.713 124 K HN 0.147 nan 8.250 nan 0.000 0.443 125 S N 0.155 115.822 115.700 -0.054 0.000 2.440 125 S HA -0.106 4.364 4.470 -0.000 0.000 0.238 125 S C 1.745 176.327 174.600 -0.031 0.000 1.010 125 S CA 1.099 59.281 58.200 -0.030 0.000 0.972 125 S CB -0.102 63.090 63.200 -0.013 0.000 0.774 125 S HN 0.399 nan 8.310 nan 0.000 0.501 126 A N 0.212 123.005 122.820 -0.044 0.000 2.195 126 A HA 0.415 4.735 4.320 -0.000 0.000 0.210 126 A C 0.694 178.245 177.584 -0.055 0.000 1.165 126 A CA -0.291 51.725 52.037 -0.035 0.000 0.806 126 A CB -0.189 18.794 19.000 -0.029 0.000 0.847 126 A HN 0.533 nan 8.150 nan 0.000 0.482 127 I N 1.967 122.483 120.570 -0.090 0.000 2.556 127 I HA 0.191 4.361 4.170 -0.000 0.000 0.284 127 I C 0.919 177.010 176.117 -0.044 0.000 1.114 127 I CA 0.266 61.508 61.300 -0.098 0.000 1.418 127 I CB 1.080 38.958 38.000 -0.203 0.000 1.394 127 I HN 0.379 nan 8.210 nan 0.000 0.552 128 T N 0.110 114.648 114.554 -0.027 0.000 2.742 128 T HA 0.265 4.615 4.350 -0.000 0.000 0.282 128 T C 0.460 175.159 174.700 -0.002 0.000 1.025 128 T CA -0.800 61.295 62.100 -0.009 0.000 1.020 128 T CB 1.647 70.510 68.868 -0.009 0.000 1.317 128 T HN 0.466 nan 8.240 nan 0.000 0.538 129 D N -0.029 120.372 120.400 0.001 0.000 2.350 129 D HA 0.009 4.649 4.640 -0.000 0.000 0.216 129 D C 1.428 177.726 176.300 -0.004 0.000 0.968 129 D CA 0.832 54.833 54.000 0.001 0.000 0.894 129 D CB 0.182 40.983 40.800 0.000 0.000 0.909 129 D HN 0.536 nan 8.370 nan 0.000 0.520 130 K N 0.091 120.488 120.400 -0.006 0.000 2.356 130 K HA 0.047 4.367 4.320 -0.000 0.000 0.195 130 K C 0.487 177.081 176.600 -0.010 0.000 1.037 130 K CA 0.156 56.440 56.287 -0.006 0.000 1.014 130 K CB 0.422 32.919 32.500 -0.006 0.000 0.815 130 K HN -0.048 nan 8.250 nan 0.000 0.507 131 T N 2.120 116.664 114.554 -0.017 0.000 2.867 131 T HA 0.052 4.402 4.350 -0.000 0.000 0.297 131 T C 0.869 175.554 174.700 -0.024 0.000 0.989 131 T CA 0.289 62.374 62.100 -0.026 0.000 1.159 131 T CB 0.814 69.656 68.868 -0.043 0.000 0.928 131 T HN -0.010 nan 8.240 nan 0.000 0.538 132 K N 0.646 121.041 120.400 -0.008 0.000 2.474 132 K HA 0.505 4.825 4.320 -0.000 0.000 0.204 132 K C 0.437 177.065 176.600 0.046 0.000 1.220 132 K CA 0.064 56.358 56.287 0.012 0.000 0.966 132 K CB 1.141 33.689 32.500 0.080 0.000 1.049 132 K HN 0.689 nan 8.250 nan 0.000 0.554 133 A N 0.682 123.525 122.820 0.038 0.000 2.586 133 A HA 0.737 5.057 4.320 -0.000 0.000 0.290 133 A C -1.554 176.023 177.584 -0.011 0.000 1.086 133 A CA -0.682 51.392 52.037 0.060 0.000 0.665 133 A CB 1.022 20.106 19.000 0.141 0.000 1.279 133 A HN 0.030 nan 8.150 nan 0.000 0.423 134 I N 0.477 121.035 120.570 -0.021 0.000 2.545 134 I HA 0.449 4.619 4.170 -0.000 0.000 0.292 134 I C -0.945 175.124 176.117 -0.080 0.000 1.040 134 I CA -0.343 60.917 61.300 -0.066 0.000 1.068 134 I CB 2.080 40.034 38.000 -0.077 0.000 1.251 134 I HN 0.484 nan 8.210 nan 0.000 0.424 135 I N 7.460 127.963 120.570 -0.112 0.000 2.557 135 I HA 0.259 4.429 4.170 -0.000 0.000 0.277 135 I C -2.272 173.739 176.117 -0.176 0.000 1.106 135 I CA -1.697 59.520 61.300 -0.138 0.000 1.180 135 I CB 0.866 38.784 38.000 -0.137 0.000 1.392 135 I HN 0.201 nan 8.210 nan 0.000 0.506 136 P HA 0.147 nan 4.420 nan 0.000 0.275 136 P C -0.539 176.535 177.300 -0.377 0.000 1.227 136 P CA -0.047 62.894 63.100 -0.265 0.000 0.781 136 P CB 1.993 33.524 31.700 -0.281 0.000 0.906 137 V N 4.122 123.835 119.914 -0.335 0.000 2.495 137 V HA 0.190 4.310 4.120 -0.000 0.000 0.298 137 V C 0.397 176.301 176.094 -0.316 0.000 1.031 137 V CA -0.620 61.477 62.300 -0.339 0.000 0.871 137 V CB 1.063 32.768 31.823 -0.197 0.000 0.988 137 V HN 0.549 nan 8.190 nan 0.000 0.432 138 H N 4.698 123.706 119.070 -0.104 0.000 2.882 138 H HA 0.285 4.841 4.556 -0.000 0.000 0.258 138 H C -0.136 175.167 175.328 -0.042 0.000 1.579 138 H CA -0.512 55.498 56.048 -0.064 0.000 1.340 138 H CB 0.736 30.461 29.762 -0.062 0.000 1.645 138 H HN 0.375 nan 8.280 nan 0.000 0.541 139 L N 2.553 123.803 121.223 0.045 0.000 2.410 139 L HA 0.004 4.344 4.340 -0.000 0.000 0.273 139 L C 0.359 177.303 176.870 0.122 0.000 1.152 139 L CA 0.481 55.300 54.840 -0.035 0.000 0.855 139 L CB -0.282 41.743 42.059 -0.057 0.000 1.129 139 L HN 0.460 nan 8.230 nan 0.000 0.463 140 F N 2.521 122.630 119.950 0.265 0.000 2.455 140 F HA -0.338 4.189 4.527 -0.000 0.000 0.665 140 F C 1.573 177.482 175.800 0.183 0.000 0.636 140 F CA 1.910 60.078 58.000 0.281 0.000 1.050 140 F CB -1.877 37.229 39.000 0.176 0.000 1.479 140 F HN 0.580 nan 8.300 nan 0.000 0.258 141 G N -0.580 108.400 108.800 0.300 0.000 4.683 141 G HA2 0.555 4.515 3.960 -0.000 0.000 0.273 141 G HA3 0.555 4.515 3.960 -0.000 0.000 0.273 141 G C -0.778 174.025 174.900 -0.161 0.000 1.065 141 G CA 0.664 45.717 45.100 -0.079 0.000 0.837 141 G HN 0.460 nan 8.290 nan 0.000 0.526 142 S N -0.180 115.529 115.700 0.015 0.000 2.618 142 S HA 0.708 5.178 4.470 -0.000 0.000 0.277 142 S C -0.631 174.029 174.600 0.099 0.000 1.138 142 S CA -0.609 57.618 58.200 0.044 0.000 0.844 142 S CB 2.015 65.267 63.200 0.087 0.000 1.127 142 S HN 0.185 nan 8.310 nan 0.000 0.474 143 M N 1.767 121.447 119.600 0.134 0.000 2.456 143 M HA 0.591 5.071 4.480 -0.000 0.000 0.324 143 M C -0.096 176.324 176.300 0.200 0.000 1.124 143 M CA -0.770 54.638 55.300 0.179 0.000 0.959 143 M CB 1.847 34.493 32.600 0.077 0.000 1.692 143 M HN 0.802 nan 8.290 nan 0.000 0.444 144 A N 2.039 125.015 122.820 0.261 0.000 2.386 144 A HA 0.176 4.496 4.320 -0.000 0.000 0.248 144 A C 0.158 177.576 177.584 -0.277 0.000 1.082 144 A CA -0.375 51.654 52.037 -0.013 0.000 0.789 144 A CB 0.102 19.030 19.000 -0.120 0.000 1.025 144 A HN 0.850 nan 8.150 nan 0.000 0.490 145 N N 2.642 121.202 118.700 -0.234 0.000 2.498 145 N HA 0.010 4.750 4.740 -0.000 0.000 0.277 145 N C 0.812 176.008 175.510 -0.522 0.000 1.208 145 N CA -0.147 52.681 53.050 -0.370 0.000 1.029 145 N CB 0.149 38.641 38.487 0.008 0.000 1.403 145 N HN 0.515 nan 8.380 nan 0.000 0.500 146 M N 1.044 119.988 119.600 -1.093 0.000 2.374 146 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 146 M C 0.877 176.996 176.300 -0.301 0.000 1.067 146 M CA 0.854 55.741 55.300 -0.688 0.000 1.103 146 M CB -0.537 31.526 32.600 -0.896 0.000 1.402 146 M HN 0.334 nan 8.290 nan 0.000 0.444 147 D N 0.592 120.943 120.400 -0.082 0.000 2.078 147 D HA -0.132 4.507 4.640 -0.000 0.000 0.193 147 D C 2.040 178.374 176.300 0.056 0.000 0.990 147 D CA 1.127 55.216 54.000 0.148 0.000 0.827 147 D CB -0.088 40.910 40.800 0.330 0.000 0.975 147 D HN 0.306 nan 8.370 nan 0.000 0.451 148 E N 0.428 120.654 120.200 0.043 0.000 2.077 148 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 148 E C 2.538 179.130 176.600 -0.014 0.000 0.989 148 E CA 0.376 56.790 56.400 0.022 0.000 0.800 148 E CB -0.226 29.489 29.700 0.026 0.000 0.746 148 E HN 0.392 nan 8.360 nan 0.000 0.452 149 I N 1.385 121.918 120.570 -0.061 0.000 2.226 149 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 149 I C 2.042 178.130 176.117 -0.048 0.000 1.100 149 I CA 1.080 62.336 61.300 -0.072 0.000 1.374 149 I CB -0.368 37.559 38.000 -0.121 0.000 1.057 149 I HN 0.105 nan 8.210 nan 0.000 0.413 150 N N 0.130 118.803 118.700 -0.046 0.000 2.244 150 N HA -0.220 4.520 4.740 -0.000 0.000 0.183 150 N C 1.840 177.354 175.510 0.007 0.000 1.016 150 N CA 0.740 53.780 53.050 -0.017 0.000 0.866 150 N CB 0.018 38.497 38.487 -0.012 0.000 0.980 150 N HN 0.395 nan 8.380 nan 0.000 0.430 151 E N 1.300 121.510 120.200 0.016 0.000 2.072 151 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 151 E C 1.881 178.509 176.600 0.047 0.000 0.985 151 E CA 0.797 57.215 56.400 0.030 0.000 0.801 151 E CB 0.085 29.807 29.700 0.036 0.000 0.750 151 E HN 0.314 nan 8.360 nan 0.000 0.452 152 I N 0.983 121.582 120.570 0.048 0.000 2.252 152 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 152 I C 2.605 178.796 176.117 0.123 0.000 1.102 152 I CA 0.960 62.318 61.300 0.096 0.000 1.385 152 I CB -0.354 37.650 38.000 0.005 0.000 1.064 152 I HN 0.191 nan 8.210 nan 0.000 0.414 153 A N 0.494 123.337 122.820 0.037 0.000 1.902 153 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 153 A C 2.477 180.072 177.584 0.017 0.000 1.181 153 A CA 2.376 54.423 52.037 0.016 0.000 0.623 153 A CB -1.152 17.843 19.000 -0.009 0.000 0.818 153 A HN 0.472 nan 8.150 nan 0.000 0.443 154 Q N -0.305 119.505 119.800 0.017 0.000 2.050 154 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 154 Q C 1.992 177.981 176.000 -0.018 0.000 0.980 154 Q CA 2.058 57.859 55.803 -0.004 0.000 0.840 154 Q CB -0.845 27.894 28.738 0.003 0.000 0.898 154 Q HN 0.898 nan 8.270 nan 0.000 0.424 155 E N -0.817 119.381 120.200 -0.002 0.000 2.110 155 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 155 E C 1.167 177.627 176.600 -0.232 0.000 0.988 155 E CA 1.334 57.671 56.400 -0.105 0.000 0.804 155 E CB -0.019 29.615 29.700 -0.111 0.000 0.745 155 E HN 0.863 nan 8.360 nan 0.000 0.458 156 H N -0.147 118.890 119.070 -0.056 0.000 2.520 156 H HA 0.246 4.802 4.556 -0.000 0.000 0.284 156 H C -0.259 175.010 175.328 -0.098 0.000 1.037 156 H CA 0.331 56.340 56.048 -0.066 0.000 1.168 156 H CB -0.183 29.543 29.762 -0.059 0.000 1.497 156 H HN 0.201 nan 8.280 nan 0.000 0.547 157 N N 1.127 119.801 118.700 -0.042 0.000 2.714 157 N HA -0.179 4.561 4.740 -0.000 0.000 0.253 157 N C -1.129 174.248 175.510 -0.221 0.000 1.024 157 N CA -0.184 52.788 53.050 -0.131 0.000 0.726 157 N CB -0.716 37.693 38.487 -0.130 0.000 0.908 157 N HN 0.302 nan 8.380 nan 0.000 0.542 158 L N 1.026 122.139 121.223 -0.184 0.000 2.333 158 L HA 0.613 4.953 4.340 -0.000 0.000 0.269 158 L C 0.173 176.905 176.870 -0.229 0.000 1.010 158 L CA -0.971 53.733 54.840 -0.226 0.000 0.818 158 L CB 0.924 42.931 42.059 -0.087 0.000 1.306 158 L HN -0.093 nan 8.230 nan 0.000 0.430 159 F N 0.704 120.645 119.950 -0.015 0.000 2.380 159 F HA 0.456 4.983 4.527 -0.000 0.000 0.325 159 F C 0.309 176.087 175.800 -0.037 0.000 1.136 159 F CA -0.565 57.423 58.000 -0.020 0.000 1.171 159 F CB 1.250 40.239 39.000 -0.020 0.000 1.230 159 F HN -0.062 nan 8.300 nan 0.000 0.554 160 V N 3.686 123.709 119.914 0.181 0.000 2.483 160 V HA 0.416 4.536 4.120 -0.000 0.000 0.297 160 V C -0.368 175.737 176.094 0.018 0.000 1.027 160 V CA -0.707 61.624 62.300 0.051 0.000 0.855 160 V CB 1.733 33.562 31.823 0.009 0.000 0.995 160 V HN 0.485 nan 8.190 nan 0.000 0.424 161 I N 3.924 124.474 120.570 -0.032 0.000 2.382 161 I HA 0.411 4.581 4.170 -0.000 0.000 0.286 161 I C 0.114 176.155 176.117 -0.127 0.000 1.002 161 I CA -0.441 60.819 61.300 -0.067 0.000 1.135 161 I CB 1.803 39.759 38.000 -0.073 0.000 1.288 161 I HN 0.601 nan 8.210 nan 0.000 0.448 162 E N 4.954 125.068 120.200 -0.143 0.000 2.223 162 E HA 0.077 4.427 4.350 -0.000 0.000 0.282 162 E C -0.717 175.708 176.600 -0.291 0.000 1.046 162 E CA -0.352 55.909 56.400 -0.231 0.000 0.857 162 E CB 1.158 30.773 29.700 -0.143 0.000 1.055 162 E HN 0.360 nan 8.360 nan 0.000 0.409 163 D N 3.380 123.581 120.400 -0.332 0.000 2.411 163 D HA 0.088 4.728 4.640 -0.000 0.000 0.225 163 D C -0.418 175.683 176.300 -0.331 0.000 1.156 163 D CA -0.408 53.413 54.000 -0.298 0.000 0.874 163 D CB 0.410 41.070 40.800 -0.232 0.000 1.034 163 D HN 0.422 nan 8.370 nan 0.000 0.502 164 C N 3.315 122.344 119.300 -0.452 0.000 2.688 164 C HA 0.332 4.792 4.460 -0.000 0.000 0.297 164 C C 2.159 176.942 174.990 -0.345 0.000 1.308 164 C CA -0.261 58.493 59.018 -0.439 0.000 1.726 164 C CB -1.195 25.979 27.740 -0.943 0.000 1.982 164 C HN 0.716 nan 8.230 nan 0.000 0.604 165 A N 0.754 123.437 122.820 -0.228 0.000 2.084 165 A HA -0.222 4.098 4.320 -0.000 0.000 0.221 165 A C 1.886 179.456 177.584 -0.025 0.000 1.161 165 A CA 1.516 53.506 52.037 -0.078 0.000 0.653 165 A CB -0.255 18.700 19.000 -0.075 0.000 0.802 165 A HN 0.773 nan 8.150 nan 0.000 0.457 166 Q N -1.735 118.015 119.800 -0.083 0.000 2.157 166 Q HA 0.306 4.646 4.340 -0.000 0.000 0.229 166 Q C 0.063 176.166 176.000 0.172 0.000 0.827 166 Q CA 0.031 55.789 55.803 -0.075 0.000 1.055 166 Q CB 0.657 29.306 28.738 -0.149 0.000 1.157 166 Q HN 0.342 nan 8.270 nan 0.000 0.482 167 S N -0.241 115.587 115.700 0.213 0.000 3.041 167 S HA 0.119 4.589 4.470 -0.000 0.000 0.250 167 S C -0.970 173.835 174.600 0.342 0.000 0.898 167 S CA -0.432 57.905 58.200 0.227 0.000 1.100 167 S CB 0.038 63.321 63.200 0.140 0.000 1.149 167 S HN 0.425 nan 8.310 nan 0.000 0.540 168 H N 0.749 120.041 119.070 0.371 0.000 3.187 168 H HA 0.354 4.910 4.556 -0.000 0.000 0.286 168 H C 1.539 177.144 175.328 0.462 0.000 0.944 168 H CA 1.733 58.102 56.048 0.534 0.000 1.429 168 H CB -0.022 29.997 29.762 0.428 0.000 1.483 168 H HN 0.480 nan 8.280 nan 0.000 0.555 169 G N 2.291 111.445 108.800 0.590 0.000 2.194 169 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.236 169 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.236 169 G C 0.493 175.483 174.900 0.149 0.000 0.987 169 G CA 0.041 45.374 45.100 0.389 0.000 0.635 169 G HN 0.654 nan 8.290 nan 0.000 0.520 170 S N -0.435 115.348 115.700 0.138 0.000 2.568 170 S HA 0.485 4.955 4.470 -0.000 0.000 0.282 170 S C 0.361 174.964 174.600 0.005 0.000 1.338 170 S CA 0.245 58.470 58.200 0.041 0.000 1.045 170 S CB 1.875 65.063 63.200 -0.020 0.000 0.873 170 S HN 0.851 nan 8.310 nan 0.000 0.516 171 V N 3.993 123.911 119.914 0.007 0.000 2.483 171 V HA 0.385 4.505 4.120 -0.000 0.000 0.297 171 V C -0.803 175.332 176.094 0.068 0.000 1.027 171 V CA -0.752 61.555 62.300 0.013 0.000 0.855 171 V CB 1.573 33.378 31.823 -0.030 0.000 0.995 171 V HN 0.911 nan 8.190 nan 0.000 0.424 172 W N 6.038 127.283 121.300 -0.091 0.000 2.411 172 W HA 0.381 5.041 4.660 0.000 0.000 0.317 172 W C 0.190 176.680 176.519 -0.049 0.000 1.030 172 W CA -0.683 56.619 57.345 -0.071 0.000 1.239 172 W CB 1.334 30.745 29.460 -0.082 0.000 1.304 172 W HN 0.845 nan 8.180 nan 0.000 0.437 173 N N 5.376 123.908 118.700 -0.279 0.000 2.714 173 N HA -0.288 4.452 4.740 -0.000 0.000 0.252 173 N C 0.209 175.704 175.510 -0.026 0.000 1.014 173 N CA 1.709 54.667 53.050 -0.152 0.000 0.735 173 N CB -1.428 37.021 38.487 -0.063 0.000 0.924 173 N HN 0.637 nan 8.380 nan 0.000 0.540 174 N N -1.387 117.288 118.700 -0.042 0.000 2.741 174 N HA -0.225 4.515 4.740 -0.000 0.000 0.250 174 N C -0.811 174.690 175.510 -0.016 0.000 1.115 174 N CA 1.118 54.148 53.050 -0.033 0.000 0.724 174 N CB -0.693 37.770 38.487 -0.039 0.000 1.090 174 N HN 0.684 nan 8.380 nan 0.000 0.558 175 Q N 0.103 119.917 119.800 0.024 0.000 2.337 175 Q HA 0.355 4.695 4.340 -0.000 0.000 0.270 175 Q C -0.192 175.816 176.000 0.014 0.000 1.043 175 Q CA -0.758 55.057 55.803 0.021 0.000 0.794 175 Q CB 2.014 30.793 28.738 0.069 0.000 1.281 175 Q HN -0.000 nan 8.270 nan 0.000 0.446 176 R N 0.736 121.211 120.500 -0.042 0.000 2.543 176 R HA 0.290 4.630 4.340 -0.000 0.000 0.277 176 R C -0.130 176.187 176.300 0.029 0.000 1.074 176 R CA -0.121 55.949 56.100 -0.050 0.000 1.076 176 R CB 0.475 30.680 30.300 -0.159 0.000 0.993 176 R HN 0.679 nan 8.270 nan 0.000 0.459 177 A N 1.137 123.980 122.820 0.038 0.000 2.566 177 A HA 0.345 4.665 4.320 -0.000 0.000 0.245 177 A C 1.325 179.004 177.584 0.158 0.000 1.056 177 A CA 1.023 53.075 52.037 0.026 0.000 0.757 177 A CB -0.303 18.659 19.000 -0.063 0.000 0.979 177 A HN 0.912 nan 8.150 nan 0.000 0.508 178 G N 1.601 110.462 108.800 0.101 0.000 2.259 178 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 178 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 178 G C 0.875 175.859 174.900 0.140 0.000 1.001 178 G CA 0.675 45.836 45.100 0.101 0.000 0.627 178 G HN 1.086 nan 8.290 nan 0.000 0.501 179 T N 0.935 115.558 114.554 0.114 0.000 3.065 179 T HA 0.347 4.697 4.350 -0.000 0.000 0.252 179 T C 2.329 177.060 174.700 0.052 0.000 1.099 179 T CA 0.904 63.049 62.100 0.076 0.000 1.063 179 T CB 0.157 69.046 68.868 0.035 0.000 0.948 179 T HN 0.418 nan 8.240 nan 0.000 0.506 180 I N 0.856 121.454 120.570 0.045 0.000 2.333 180 I HA 0.145 4.315 4.170 -0.000 0.000 0.246 180 I C 1.894 178.024 176.117 0.020 0.000 1.106 180 I CA 0.290 61.606 61.300 0.027 0.000 1.411 180 I CB -0.435 37.563 38.000 -0.003 0.000 1.082 180 I HN 0.193 nan 8.210 nan 0.000 0.420 181 G N -0.030 108.780 108.800 0.017 0.000 2.563 181 G HA2 0.035 3.995 3.960 -0.000 0.000 0.283 181 G HA3 0.035 3.995 3.960 -0.000 0.000 0.283 181 G C 0.307 175.234 174.900 0.044 0.000 1.309 181 G CA -0.226 44.884 45.100 0.017 0.000 1.022 181 G HN 0.085 nan 8.290 nan 0.000 0.501 182 D N -0.935 119.500 120.400 0.059 0.000 2.117 182 D HA -0.037 4.603 4.640 -0.000 0.000 0.198 182 D C 0.761 177.087 176.300 0.043 0.000 0.982 182 D CA 1.330 55.371 54.000 0.068 0.000 0.828 182 D CB 0.351 41.206 40.800 0.092 0.000 0.967 182 D HN 0.134 nan 8.370 nan 0.000 0.464 183 I N -0.427 120.156 120.570 0.023 0.000 2.722 183 I HA 0.353 4.523 4.170 -0.000 0.000 0.295 183 I C -0.100 176.027 176.117 0.016 0.000 1.161 183 I CA -0.889 60.431 61.300 0.032 0.000 1.032 183 I CB 2.681 40.680 38.000 -0.003 0.000 1.244 183 I HN -0.224 nan 8.210 nan 0.000 0.421 184 G N 3.432 112.269 108.800 0.062 0.000 2.415 184 G HA2 0.784 4.744 3.960 -0.000 0.000 0.327 184 G HA3 0.784 4.744 3.960 -0.000 0.000 0.327 184 G C -1.209 173.681 174.900 -0.017 0.000 1.182 184 G CA -0.491 44.597 45.100 -0.020 0.000 0.924 184 G HN 0.745 nan 8.290 nan 0.000 0.470 185 A N 1.260 123.941 122.820 -0.232 0.000 2.355 185 A HA 0.894 5.214 4.320 -0.000 0.000 0.317 185 A C -1.390 175.989 177.584 -0.341 0.000 1.094 185 A CA -0.585 51.380 52.037 -0.119 0.000 0.764 185 A CB 1.036 19.981 19.000 -0.091 0.000 1.230 185 A HN 0.555 nan 8.150 nan 0.000 0.448 186 F N 0.501 120.431 119.950 -0.034 0.000 2.588 186 F HA 0.692 5.218 4.527 -0.000 0.000 0.314 186 F C 0.633 176.429 175.800 -0.006 0.000 1.069 186 F CA -0.546 57.397 58.000 -0.095 0.000 0.931 186 F CB 2.479 41.375 39.000 -0.172 0.000 1.260 186 F HN 0.498 nan 8.300 nan 0.000 0.465 187 S N -0.043 115.800 115.700 0.238 0.000 2.549 187 S HA 0.554 5.024 4.470 -0.000 0.000 0.297 187 S C -0.492 174.284 174.600 0.293 0.000 1.115 187 S CA -0.381 57.938 58.200 0.198 0.000 1.059 187 S CB 1.061 64.326 63.200 0.109 0.000 1.046 187 S HN 0.773 nan 8.310 nan 0.000 0.506 188 C N 4.096 123.501 119.300 0.174 0.000 2.969 188 C HA 0.395 4.855 4.460 -0.000 0.000 0.260 188 C C 0.461 175.512 174.990 0.103 0.000 1.618 188 C CA -0.574 58.519 59.018 0.125 0.000 1.774 188 C CB -1.113 26.648 27.740 0.036 0.000 3.063 188 C HN 0.862 nan 8.230 nan 0.000 0.506 189 Q N 1.398 121.269 119.800 0.118 0.000 2.454 189 Q HA -0.014 4.326 4.340 -0.000 0.000 0.247 189 Q C 1.389 177.501 176.000 0.187 0.000 1.028 189 Q CA 0.650 56.520 55.803 0.112 0.000 0.910 189 Q CB 0.492 29.278 28.738 0.080 0.000 1.276 189 Q HN 0.693 nan 8.270 nan 0.000 0.489 190 Q N 2.247 122.150 119.800 0.172 0.000 2.142 190 Q HA -0.248 4.092 4.340 -0.000 0.000 0.213 190 Q C 1.408 177.725 176.000 0.527 0.000 1.004 190 Q CA 2.395 58.343 55.803 0.241 0.000 0.883 190 Q CB -0.576 28.243 28.738 0.135 0.000 0.939 190 Q HN 0.932 nan 8.270 nan 0.000 0.413 191 G N 0.356 109.483 108.800 0.546 0.000 2.534 191 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.217 191 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.217 191 G C 0.246 175.680 174.900 0.891 0.000 1.128 191 G CA 0.014 45.601 45.100 0.811 0.000 0.784 191 G HN 0.106 nan 8.290 nan 0.000 0.542 192 K N 0.488 121.254 120.400 0.611 0.000 2.180 192 K HA 0.159 4.479 4.320 -0.000 0.000 0.251 192 K C 1.800 178.592 176.600 0.319 0.000 1.014 192 K CA -0.112 56.413 56.287 0.398 0.000 0.913 192 K CB 1.074 33.676 32.500 0.170 0.000 1.008 192 K HN 0.035 nan 8.250 nan 0.000 0.490 193 V N -1.462 118.385 119.914 -0.111 0.000 2.626 193 V HA -0.056 4.064 4.120 -0.000 0.000 0.252 193 V C 0.788 176.916 176.094 0.058 0.000 1.067 193 V CA 0.838 62.956 62.300 -0.304 0.000 1.081 193 V CB -0.554 31.027 31.823 -0.402 0.000 0.686 193 V HN 0.438 nan 8.190 nan 0.000 0.468 194 L N 0.970 122.096 121.223 -0.162 0.000 2.342 194 L HA 0.805 5.145 4.340 -0.000 0.000 0.276 194 L C -0.587 176.280 176.870 -0.005 0.000 0.997 194 L CA 0.246 55.034 54.840 -0.086 0.000 0.838 194 L CB 1.333 43.254 42.059 -0.230 0.000 1.224 194 L HN 0.275 nan 8.230 nan 0.000 0.416 195 T N 3.022 117.631 114.554 0.091 0.000 2.883 195 T HA 0.799 5.149 4.350 -0.000 0.000 0.301 195 T C -0.387 174.294 174.700 -0.032 0.000 1.158 195 T CA 0.209 62.350 62.100 0.070 0.000 1.007 195 T CB 1.770 70.767 68.868 0.215 0.000 1.186 195 T HN 0.709 nan 8.240 nan 0.000 0.499 196 A N 1.108 123.898 122.820 -0.050 0.000 2.568 196 A HA 0.659 4.979 4.320 -0.000 0.000 0.287 196 A C 1.315 178.862 177.584 -0.062 0.000 0.967 196 A CA 0.772 52.756 52.037 -0.088 0.000 1.004 196 A CB -0.658 18.264 19.000 -0.130 0.000 1.233 196 A HN 1.924 nan 8.150 nan 0.000 0.513 197 G N -0.305 108.478 108.800 -0.029 0.000 3.757 197 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 197 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 197 G C -0.036 174.871 174.900 0.011 0.000 1.411 197 G CA 0.412 45.502 45.100 -0.018 0.000 0.896 197 G HN 0.565 nan 8.290 nan 0.000 0.581 198 E N 0.617 120.817 120.200 0.000 0.000 2.367 198 E HA 0.645 4.995 4.350 -0.000 0.000 0.273 198 E C 0.089 176.693 176.600 0.006 0.000 0.903 198 E CA 0.266 56.677 56.400 0.018 0.000 0.764 198 E CB 1.718 31.430 29.700 0.020 0.000 1.252 198 E HN 1.720 nan 8.360 nan 0.000 0.446 199 G N -0.446 108.369 108.800 0.025 0.000 2.347 199 G HA2 0.480 4.440 3.960 -0.000 0.000 0.303 199 G HA3 0.480 4.440 3.960 -0.000 0.000 0.303 199 G C -1.064 173.864 174.900 0.046 0.000 1.481 199 G CA -0.170 44.937 45.100 0.012 0.000 0.914 199 G HN 0.647 nan 8.290 nan 0.000 0.638 200 G N -1.130 107.701 108.800 0.052 0.000 2.692 200 G HA2 0.821 4.781 3.960 -0.000 0.000 0.291 200 G HA3 0.821 4.781 3.960 -0.000 0.000 0.291 200 G C -1.366 173.596 174.900 0.103 0.000 1.423 200 G CA -0.701 44.454 45.100 0.091 0.000 0.843 200 G HN 0.990 nan 8.290 nan 0.000 0.486 201 I N 0.051 120.711 120.570 0.151 0.000 2.722 201 I HA 0.472 4.642 4.170 -0.000 0.000 0.295 201 I C -0.949 175.335 176.117 0.279 0.000 1.161 201 I CA -0.737 60.649 61.300 0.143 0.000 1.032 201 I CB 2.633 40.550 38.000 -0.139 0.000 1.244 201 I HN 0.233 nan 8.210 nan 0.000 0.421 202 I N 5.716 126.435 120.570 0.249 0.000 2.509 202 I HA 0.619 4.788 4.170 -0.000 0.000 0.293 202 I C -0.664 175.640 176.117 0.312 0.000 1.020 202 I CA -1.027 60.431 61.300 0.264 0.000 1.088 202 I CB 2.238 40.343 38.000 0.175 0.000 1.267 202 I HN 0.328 nan 8.210 nan 0.000 0.430 203 V N 1.524 121.644 119.914 0.345 0.000 2.962 203 V HA 0.903 5.023 4.120 -0.000 0.000 0.313 203 V C -0.708 175.533 176.094 0.244 0.000 1.099 203 V CA -0.252 62.241 62.300 0.322 0.000 0.971 203 V CB 1.944 34.008 31.823 0.402 0.000 1.028 203 V HN 0.838 nan 8.190 nan 0.000 0.430 204 T N 1.532 116.224 114.554 0.230 0.000 2.840 204 T HA 0.467 4.817 4.350 -0.000 0.000 0.317 204 T C -0.023 174.811 174.700 0.223 0.000 1.401 204 T CA -0.325 61.895 62.100 0.202 0.000 1.028 204 T CB 2.274 71.260 68.868 0.197 0.000 1.317 204 T HN 0.899 nan 8.240 nan 0.000 0.495 205 K N 0.997 121.504 120.400 0.177 0.000 2.352 205 K HA 0.203 4.523 4.320 -0.000 0.000 0.194 205 K C 0.673 177.434 176.600 0.268 0.000 1.038 205 K CA -0.253 56.123 56.287 0.148 0.000 1.023 205 K CB 0.228 32.774 32.500 0.076 0.000 0.840 205 K HN 0.331 nan 8.250 nan 0.000 0.519 206 N N 1.899 120.750 118.700 0.251 0.000 2.422 206 N HA 0.075 4.815 4.740 -0.000 0.000 0.264 206 N C -2.258 173.332 175.510 0.133 0.000 1.063 206 N CA -1.796 51.370 53.050 0.194 0.000 0.959 206 N CB 1.575 40.127 38.487 0.109 0.000 1.087 206 N HN -0.200 nan 8.380 nan 0.000 0.483 207 P HA -0.095 nan 4.420 nan 0.000 0.217 207 P C 1.263 178.507 177.300 -0.093 0.000 1.150 207 P CA 1.100 64.100 63.100 -0.167 0.000 0.832 207 P CB 0.319 32.045 31.700 0.044 0.000 0.787 208 R N -0.038 120.451 120.500 -0.018 0.000 2.075 208 R HA -0.053 4.287 4.340 -0.000 0.000 0.232 208 R C 2.173 178.452 176.300 -0.036 0.000 1.126 208 R CA 1.205 57.291 56.100 -0.023 0.000 0.963 208 R CB -0.870 29.428 30.300 -0.002 0.000 0.858 208 R HN 0.143 nan 8.270 nan 0.000 0.435 209 L N 0.158 121.374 121.223 -0.011 0.000 2.083 209 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 209 L C 2.379 179.259 176.870 0.018 0.000 1.083 209 L CA 0.941 55.775 54.840 -0.010 0.000 0.752 209 L CB -0.552 41.512 42.059 0.009 0.000 0.899 209 L HN 0.226 nan 8.230 nan 0.000 0.433 210 F N 1.319 121.160 119.950 -0.181 0.000 2.095 210 F HA -0.232 4.295 4.527 0.000 0.000 0.298 210 F C 2.466 178.169 175.800 -0.162 0.000 1.104 210 F CA 1.664 59.532 58.000 -0.219 0.000 1.232 210 F CB -0.302 38.313 39.000 -0.641 0.000 0.987 210 F HN 0.076 nan 8.300 nan 0.000 0.475 211 E N 0.383 120.395 120.200 -0.314 0.000 2.077 211 E HA -0.202 4.148 4.350 -0.000 0.000 0.193 211 E C 2.417 178.859 176.600 -0.263 0.000 0.989 211 E CA 1.597 57.774 56.400 -0.371 0.000 0.800 211 E CB -0.429 29.149 29.700 -0.204 0.000 0.746 211 E HN 0.457 nan 8.360 nan 0.000 0.452 212 L N 0.626 121.754 121.223 -0.160 0.000 2.046 212 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 212 L C 2.536 179.339 176.870 -0.111 0.000 1.077 212 L CA 0.906 55.677 54.840 -0.115 0.000 0.747 212 L CB -0.424 41.587 42.059 -0.081 0.000 0.896 212 L HN 0.127 nan 8.230 nan 0.000 0.432 213 I N -0.528 119.982 120.570 -0.100 0.000 2.226 213 I HA -0.323 3.847 4.170 -0.000 0.000 0.245 213 I C 2.697 178.752 176.117 -0.104 0.000 1.100 213 I CA 1.305 62.570 61.300 -0.059 0.000 1.374 213 I CB -0.335 37.675 38.000 0.017 0.000 1.057 213 I HN 0.348 nan 8.210 nan 0.000 0.413 214 Q N 0.358 120.017 119.800 -0.234 0.000 2.030 214 Q HA -0.297 4.043 4.340 -0.000 0.000 0.204 214 Q C 2.300 178.173 176.000 -0.212 0.000 0.986 214 Q CA 1.791 57.409 55.803 -0.308 0.000 0.843 214 Q CB -0.222 28.183 28.738 -0.554 0.000 0.904 214 Q HN 0.589 nan 8.270 nan 0.000 0.420 215 Q N 0.280 119.968 119.800 -0.187 0.000 2.124 215 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 215 Q C 2.150 178.112 176.000 -0.063 0.000 0.977 215 Q CA 1.004 56.733 55.803 -0.124 0.000 0.850 215 Q CB -0.113 28.559 28.738 -0.110 0.000 0.901 215 Q HN 0.371 nan 8.270 nan 0.000 0.429 216 L N 0.479 121.680 121.223 -0.038 0.000 2.191 216 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 216 L C 2.172 179.109 176.870 0.112 0.000 1.103 216 L CA 1.214 56.071 54.840 0.028 0.000 0.769 216 L CB -0.153 41.917 42.059 0.018 0.000 0.908 216 L HN 0.239 nan 8.230 nan 0.000 0.438 217 R N -0.326 120.222 120.500 0.079 0.000 2.362 217 R HA 0.264 4.604 4.340 -0.000 0.000 0.227 217 R C 0.710 177.035 176.300 0.041 0.000 0.905 217 R CA 0.779 56.972 56.100 0.156 0.000 1.067 217 R CB 0.047 30.435 30.300 0.146 0.000 1.078 217 R HN 0.015 nan 8.270 nan 0.000 0.516 218 A N 1.023 123.826 122.820 -0.028 0.000 2.705 218 A HA 0.335 4.655 4.320 -0.000 0.000 0.294 218 A C -0.706 176.838 177.584 -0.066 0.000 1.039 218 A CA -0.391 51.610 52.037 -0.060 0.000 1.005 218 A CB -0.102 18.838 19.000 -0.099 0.000 1.192 218 A HN 0.291 nan 8.150 nan 0.000 0.513 219 D N 0.653 121.014 120.400 -0.065 0.000 2.689 219 D HA -0.170 4.470 4.640 -0.000 0.000 0.237 219 D C 0.436 176.705 176.300 -0.053 0.000 1.148 219 D CA 1.535 55.498 54.000 -0.061 0.000 0.656 219 D CB -1.554 39.209 40.800 -0.063 0.000 1.050 219 D HN 0.734 nan 8.370 nan 0.000 0.426 220 S N -2.285 113.382 115.700 -0.055 0.000 3.482 220 S HA -0.274 4.196 4.470 -0.000 0.000 0.294 220 S C 0.531 175.086 174.600 -0.074 0.000 1.244 220 S CA 1.288 59.452 58.200 -0.059 0.000 0.911 220 S CB -0.695 62.478 63.200 -0.044 0.000 1.070 220 S HN 0.548 nan 8.310 nan 0.000 0.614 221 R N 0.098 120.543 120.500 -0.092 0.000 2.828 221 R HA 0.803 5.143 4.340 -0.000 0.000 0.264 221 R C 0.205 176.400 176.300 -0.175 0.000 1.022 221 R CA -0.517 55.520 56.100 -0.105 0.000 1.021 221 R CB 1.421 31.672 30.300 -0.081 0.000 1.163 221 R HN 0.234 nan 8.270 nan 0.000 0.494 222 V N -1.876 117.931 119.914 -0.178 0.000 3.158 222 V HA 0.538 4.658 4.120 -0.000 0.000 0.311 222 V C -1.034 174.944 176.094 -0.192 0.000 1.181 222 V CA -1.188 60.946 62.300 -0.277 0.000 1.054 222 V CB 1.128 32.823 31.823 -0.213 0.000 1.085 222 V HN 0.521 nan 8.190 nan 0.000 0.446 223 Y N 1.002 121.266 120.300 -0.059 0.000 2.379 223 Y HA 0.478 5.028 4.550 -0.000 0.000 0.337 223 Y C 1.409 177.299 175.900 -0.018 0.000 1.238 223 Y CA -0.149 57.945 58.100 -0.010 0.000 1.405 223 Y CB 0.132 38.609 38.460 0.029 0.000 1.310 223 Y HN 1.102 nan 8.280 nan 0.000 0.569 224 C N 0.607 120.002 119.300 0.159 0.000 2.705 224 C HA 0.084 4.544 4.460 -0.000 0.000 0.382 224 C C 1.536 176.556 174.990 0.050 0.000 1.322 224 C CA -0.879 58.172 59.018 0.056 0.000 2.290 224 C CB 0.404 28.144 27.740 -0.000 0.000 2.650 224 C HN 0.853 nan 8.230 nan 0.000 0.695 225 D N 0.173 120.584 120.400 0.017 0.000 2.104 225 D HA -0.031 4.609 4.640 -0.000 0.000 0.194 225 D C 0.343 176.644 176.300 0.002 0.000 0.994 225 D CA 2.060 56.070 54.000 0.017 0.000 0.830 225 D CB -0.140 40.661 40.800 0.003 0.000 0.959 225 D HN 0.836 nan 8.370 nan 0.000 0.452 226 D N -1.278 119.098 120.400 -0.039 0.000 2.602 226 D HA 0.073 4.713 4.640 -0.000 0.000 0.245 226 D C 0.626 176.835 176.300 -0.152 0.000 1.325 226 D CA -0.122 53.838 54.000 -0.067 0.000 0.952 226 D CB 1.424 42.191 40.800 -0.054 0.000 1.317 226 D HN -0.073 nan 8.370 nan 0.000 0.577 227 S N 1.546 117.132 115.700 -0.190 0.000 2.442 227 S HA -0.115 4.355 4.470 -0.000 0.000 0.236 227 S C 1.566 175.878 174.600 -0.481 0.000 1.007 227 S CA 0.758 58.711 58.200 -0.413 0.000 0.965 227 S CB 0.067 63.073 63.200 -0.323 0.000 0.773 227 S HN 0.259 nan 8.310 nan 0.000 0.504 228 S N 1.095 116.661 115.700 -0.223 0.000 2.481 228 S HA 0.129 4.599 4.470 -0.000 0.000 0.231 228 S C 2.010 176.521 174.600 -0.147 0.000 0.996 228 S CA 1.022 59.142 58.200 -0.133 0.000 0.942 228 S CB -0.361 62.812 63.200 -0.045 0.000 0.768 228 S HN 0.945 nan 8.310 nan 0.000 0.520 229 E N 0.684 120.773 120.200 -0.184 0.000 2.474 229 E HA 0.331 4.681 4.350 -0.000 0.000 0.194 229 E C 0.544 177.025 176.600 -0.199 0.000 1.041 229 E CA -0.005 56.309 56.400 -0.143 0.000 0.874 229 E CB -0.367 29.271 29.700 -0.104 0.000 0.914 229 E HN 0.478 nan 8.360 nan 0.000 0.498 230 L N 1.502 122.495 121.223 -0.384 0.000 2.416 230 L HA 0.336 4.676 4.340 -0.000 0.000 0.272 230 L C 0.486 177.173 176.870 -0.304 0.000 1.161 230 L CA -0.319 54.227 54.840 -0.489 0.000 0.845 230 L CB 0.978 42.392 42.059 -1.075 0.000 1.119 230 L HN 0.301 nan 8.230 nan 0.000 0.464 231 M N 1.974 121.519 119.600 -0.091 0.000 2.598 231 M HA 0.289 4.769 4.480 -0.000 0.000 0.317 231 M C 0.031 176.497 176.300 0.277 0.000 1.201 231 M CA -0.701 54.660 55.300 0.101 0.000 0.971 231 M CB 1.132 33.772 32.600 0.067 0.000 1.657 231 M HN 0.443 nan 8.290 nan 0.000 0.470 232 H N 0.540 119.767 119.070 0.263 0.000 3.070 232 H HA 0.166 4.722 4.556 -0.000 0.000 0.313 232 H C 0.990 176.387 175.328 0.114 0.000 0.997 232 H CA 2.327 58.541 56.048 0.277 0.000 1.438 232 H CB 0.399 30.263 29.762 0.169 0.000 1.455 232 H HN 0.880 nan 8.280 nan 0.000 0.575 233 G N 4.882 113.720 108.800 0.063 0.000 2.254 233 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.225 233 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.225 233 G C -0.038 174.802 174.900 -0.101 0.000 1.003 233 G CA 0.161 45.100 45.100 -0.269 0.000 0.622 233 G HN 0.638 nan 8.290 nan 0.000 0.507 234 D N 1.566 122.012 120.400 0.076 0.000 2.341 234 D HA 0.484 5.124 4.640 -0.000 0.000 0.245 234 D C 1.059 177.451 176.300 0.154 0.000 1.106 234 D CA 0.032 54.074 54.000 0.069 0.000 0.905 234 D CB 0.575 41.381 40.800 0.011 0.000 1.202 234 D HN 0.052 nan 8.370 nan 0.000 0.426 235 M N 1.505 121.172 119.600 0.111 0.000 2.211 235 M HA 0.037 4.517 4.480 -0.000 0.000 0.356 235 M C 1.173 177.539 176.300 0.111 0.000 1.216 235 M CA 0.268 55.650 55.300 0.136 0.000 1.134 235 M CB 1.355 34.011 32.600 0.093 0.000 1.564 235 M HN 0.459 nan 8.290 nan 0.000 0.463 236 Q N 2.965 122.861 119.800 0.161 0.000 2.376 236 Q HA 0.198 4.538 4.340 -0.000 0.000 0.206 236 Q C -0.351 175.743 176.000 0.158 0.000 0.921 236 Q CA 0.494 56.392 55.803 0.159 0.000 0.911 236 Q CB 0.539 29.443 28.738 0.277 0.000 1.032 236 Q HN 0.625 nan 8.270 nan 0.000 0.510 237 L N 2.306 123.604 121.223 0.125 0.000 2.292 237 L HA 0.381 4.721 4.340 -0.000 0.000 0.284 237 L C -0.414 176.474 176.870 0.030 0.000 1.065 237 L CA -0.930 53.949 54.840 0.065 0.000 0.806 237 L CB 1.486 43.563 42.059 0.030 0.000 1.175 237 L HN 0.012 nan 8.230 nan 0.000 0.431 238 V N 0.469 120.385 119.914 0.003 0.000 3.001 238 V HA 0.527 4.647 4.120 -0.000 0.000 0.314 238 V C -0.377 175.700 176.094 -0.028 0.000 1.099 238 V CA -1.278 61.018 62.300 -0.006 0.000 0.989 238 V CB 1.729 33.551 31.823 -0.002 0.000 1.040 238 V HN 0.788 nan 8.190 nan 0.000 0.434 239 K N 1.445 121.831 120.400 -0.024 0.000 2.414 239 K HA 0.335 4.655 4.320 -0.000 0.000 0.272 239 K C -0.162 176.415 176.600 -0.039 0.000 0.993 239 K CA -0.135 56.133 56.287 -0.032 0.000 0.964 239 K CB 0.954 33.440 32.500 -0.023 0.000 0.925 239 K HN 0.761 nan 8.250 nan 0.000 0.487 240 K N 1.036 121.407 120.400 -0.047 0.000 2.763 240 K HA 0.182 4.502 4.320 -0.000 0.000 0.207 240 K C 0.618 177.193 176.600 -0.043 0.000 1.532 240 K CA 0.958 57.215 56.287 -0.051 0.000 1.059 240 K CB -0.055 32.400 32.500 -0.075 0.000 1.854 240 K HN 0.951 nan 8.250 nan 0.000 0.497 241 G N 1.786 110.559 108.800 -0.046 0.000 2.160 241 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.251 241 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.251 241 G C 0.215 175.095 174.900 -0.034 0.000 1.008 241 G CA 0.779 45.858 45.100 -0.036 0.000 0.724 241 G HN 0.431 nan 8.290 nan 0.000 0.514 242 D N -0.740 119.635 120.400 -0.042 0.000 2.289 242 D HA 0.218 4.858 4.640 -0.000 0.000 0.207 242 D C 1.187 177.466 176.300 -0.035 0.000 0.966 242 D CA 0.936 54.914 54.000 -0.037 0.000 0.868 242 D CB 0.679 41.453 40.800 -0.043 0.000 0.943 242 D HN 0.629 nan 8.370 nan 0.000 0.514 243 I N 0.276 120.823 120.570 -0.040 0.000 2.752 243 I HA 0.103 4.273 4.170 -0.000 0.000 0.295 243 I C -1.380 174.719 176.117 -0.030 0.000 1.219 243 I CA -0.852 60.428 61.300 -0.033 0.000 1.030 243 I CB 2.299 40.276 38.000 -0.039 0.000 1.259 243 I HN -0.381 nan 8.210 nan 0.000 0.423 244 Q N 4.492 124.281 119.800 -0.019 0.000 2.286 244 Q HA 0.561 4.901 4.340 -0.000 0.000 0.267 244 Q C -0.496 175.501 176.000 -0.004 0.000 1.028 244 Q CA 0.299 56.094 55.803 -0.013 0.000 0.901 244 Q CB 1.263 29.997 28.738 -0.007 0.000 1.183 244 Q HN 0.765 nan 8.270 nan 0.000 0.392 245 G N 1.892 110.686 108.800 -0.009 0.000 2.788 245 G HA2 0.724 4.684 3.960 -0.000 0.000 0.293 245 G HA3 0.724 4.684 3.960 -0.000 0.000 0.293 245 G C -1.049 173.843 174.900 -0.013 0.000 1.305 245 G CA -0.586 44.520 45.100 0.010 0.000 1.005 245 G HN 0.628 nan 8.290 nan 0.000 0.496 246 S N -1.716 113.969 115.700 -0.024 0.000 2.810 246 S HA 0.407 4.877 4.470 -0.000 0.000 0.315 246 S C -0.399 174.010 174.600 -0.319 0.000 1.138 246 S CA -0.802 57.282 58.200 -0.194 0.000 0.889 246 S CB 1.607 64.635 63.200 -0.286 0.000 1.236 246 S HN 0.677 nan 8.310 nan 0.000 0.548 247 N N 0.493 118.915 118.700 -0.463 0.000 2.415 247 N HA 0.215 4.955 4.740 -0.000 0.000 0.246 247 N C -1.661 173.525 175.510 -0.539 0.000 1.078 247 N CA 0.103 52.940 53.050 -0.356 0.000 0.942 247 N CB 0.206 38.563 38.487 -0.217 0.000 1.140 247 N HN 0.502 nan 8.380 nan 0.000 0.501 248 Y N 2.494 122.796 120.300 0.003 0.000 2.614 248 Y HA 0.283 4.833 4.550 -0.000 0.000 0.296 248 Y C -0.172 175.739 175.900 0.020 0.000 0.942 248 Y CA -0.839 57.268 58.100 0.013 0.000 1.111 248 Y CB -0.026 38.441 38.460 0.012 0.000 1.182 248 Y HN 0.437 nan 8.280 nan 0.000 0.624 249 C N 1.630 120.992 119.300 0.102 0.000 2.452 249 C HA 0.453 4.913 4.460 -0.000 0.000 0.379 249 C C 0.546 175.587 174.990 0.085 0.000 1.275 249 C CA -0.833 58.236 59.018 0.085 0.000 2.056 249 C CB -0.003 27.767 27.740 0.050 0.000 2.506 249 C HN 0.429 nan 8.230 nan 0.000 0.560 250 L N 4.200 125.473 121.223 0.083 0.000 2.349 250 L HA 0.360 4.700 4.340 -0.000 0.000 0.275 250 L C 0.785 177.679 176.870 0.039 0.000 1.115 250 L CA 0.699 55.574 54.840 0.058 0.000 0.820 250 L CB 0.892 42.978 42.059 0.045 0.000 1.135 250 L HN 0.869 nan 8.230 nan 0.000 0.445 251 S N 3.127 118.848 115.700 0.035 0.000 2.579 251 S HA 0.118 4.588 4.470 -0.000 0.000 0.275 251 S C 0.854 175.424 174.600 -0.050 0.000 1.345 251 S CA -0.324 57.894 58.200 0.030 0.000 1.031 251 S CB 0.613 63.875 63.200 0.103 0.000 0.892 251 S HN 0.721 nan 8.310 nan 0.000 0.529 252 E N 1.027 121.132 120.200 -0.159 0.000 2.204 252 E HA -0.078 4.272 4.350 -0.000 0.000 0.195 252 E C 1.410 177.793 176.600 -0.361 0.000 0.990 252 E CA 1.012 57.247 56.400 -0.276 0.000 0.821 252 E CB -0.363 29.117 29.700 -0.366 0.000 0.750 252 E HN 0.832 nan 8.360 nan 0.000 0.477 253 F N 1.479 121.291 119.950 -0.230 0.000 2.134 253 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 253 F C 2.580 178.245 175.800 -0.226 0.000 1.097 253 F CA 1.138 58.958 58.000 -0.301 0.000 1.264 253 F CB -0.497 38.278 39.000 -0.375 0.000 1.001 253 F HN 0.019 nan 8.300 nan 0.000 0.479 254 Q N -0.518 119.276 119.800 -0.009 0.000 2.083 254 Q HA -0.125 4.215 4.340 -0.000 0.000 0.198 254 Q C 2.386 178.277 176.000 -0.182 0.000 0.969 254 Q CA 1.632 57.383 55.803 -0.087 0.000 0.838 254 Q CB -0.342 28.356 28.738 -0.067 0.000 0.900 254 Q HN 0.243 nan 8.270 nan 0.000 0.436 255 S N 0.686 116.281 115.700 -0.175 0.000 2.399 255 S HA -0.169 4.301 4.470 -0.000 0.000 0.231 255 S C 1.993 176.469 174.600 -0.205 0.000 1.022 255 S CA 0.966 59.028 58.200 -0.231 0.000 0.983 255 S CB -0.244 62.910 63.200 -0.076 0.000 0.803 255 S HN 0.494 nan 8.310 nan 0.000 0.480 256 A N 1.495 124.226 122.820 -0.149 0.000 1.877 256 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 256 A C 2.047 179.567 177.584 -0.106 0.000 1.186 256 A CA 1.146 53.117 52.037 -0.111 0.000 0.620 256 A CB -0.658 18.268 19.000 -0.123 0.000 0.822 256 A HN 0.487 nan 8.150 nan 0.000 0.443 257 I N -0.295 120.200 120.570 -0.126 0.000 2.226 257 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 257 I C 2.323 178.346 176.117 -0.156 0.000 1.100 257 I CA 1.014 62.244 61.300 -0.118 0.000 1.374 257 I CB -0.333 37.596 38.000 -0.118 0.000 1.057 257 I HN 0.289 nan 8.210 nan 0.000 0.413 258 L N -0.122 120.926 121.223 -0.292 0.000 2.083 258 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 258 L C 2.568 179.316 176.870 -0.204 0.000 1.083 258 L CA 0.890 55.465 54.840 -0.442 0.000 0.752 258 L CB -0.483 40.889 42.059 -1.145 0.000 0.899 258 L HN 0.284 nan 8.230 nan 0.000 0.433 259 L N 0.491 121.659 121.223 -0.091 0.000 2.046 259 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 259 L C 2.064 178.982 176.870 0.080 0.000 1.077 259 L CA 2.133 57.061 54.840 0.147 0.000 0.747 259 L CB -0.535 41.597 42.059 0.122 0.000 0.896 259 L HN 0.296 nan 8.230 nan 0.000 0.432 260 D N -1.702 118.707 120.400 0.016 0.000 2.084 260 D HA -0.224 4.416 4.640 -0.000 0.000 0.196 260 D C 1.962 178.275 176.300 0.023 0.000 0.985 260 D CA 1.266 55.276 54.000 0.016 0.000 0.826 260 D CB -0.038 40.761 40.800 -0.002 0.000 0.978 260 D HN 0.325 nan 8.370 nan 0.000 0.456 261 Q N -0.385 119.417 119.800 0.004 0.000 2.170 261 Q HA -0.101 4.239 4.340 -0.000 0.000 0.203 261 Q C 2.262 178.288 176.000 0.043 0.000 0.976 261 Q CA 0.520 56.336 55.803 0.022 0.000 0.858 261 Q CB -0.438 28.300 28.738 0.001 0.000 0.907 261 Q HN 0.383 nan 8.270 nan 0.000 0.433 262 L N 1.323 122.581 121.223 0.058 0.000 2.141 262 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 262 L C 2.032 178.904 176.870 0.004 0.000 1.094 262 L CA 1.622 56.485 54.840 0.038 0.000 0.763 262 L CB -0.414 41.747 42.059 0.169 0.000 0.908 262 L HN 0.160 nan 8.230 nan 0.000 0.437 263 Q N -0.090 119.736 119.800 0.043 0.000 2.297 263 Q HA -0.201 4.139 4.340 -0.000 0.000 0.208 263 Q C 0.987 177.018 176.000 0.051 0.000 0.981 263 Q CA 1.613 57.444 55.803 0.047 0.000 0.876 263 Q CB -0.105 28.662 28.738 0.049 0.000 0.921 263 Q HN 0.785 nan 8.270 nan 0.000 0.446 264 E N -0.475 119.758 120.200 0.054 0.000 2.660 264 E HA 0.049 4.399 4.350 -0.000 0.000 0.216 264 E C 1.415 178.069 176.600 0.089 0.000 0.986 264 E CA -0.171 56.273 56.400 0.074 0.000 1.037 264 E CB 0.055 29.802 29.700 0.079 0.000 1.041 264 E HN 0.081 nan 8.360 nan 0.000 0.480 265 L N 2.040 123.295 121.223 0.053 0.000 2.017 265 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 265 L C 1.880 178.823 176.870 0.122 0.000 1.073 265 L CA 2.304 57.174 54.840 0.051 0.000 0.745 265 L CB -0.446 41.550 42.059 -0.106 0.000 0.894 265 L HN 0.074 nan 8.230 nan 0.000 0.432 266 D N -0.691 119.813 120.400 0.173 0.000 2.117 266 D HA -0.200 4.440 4.640 -0.000 0.000 0.197 266 D C 1.762 178.162 176.300 0.168 0.000 0.987 266 D CA 1.387 55.544 54.000 0.260 0.000 0.829 266 D CB -0.045 40.941 40.800 0.311 0.000 0.961 266 D HN 0.429 nan 8.370 nan 0.000 0.460 267 D N -0.055 120.424 120.400 0.131 0.000 2.117 267 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 267 D C 2.001 178.366 176.300 0.109 0.000 0.987 267 D CA 0.823 54.886 54.000 0.105 0.000 0.829 267 D CB -0.084 40.768 40.800 0.086 0.000 0.961 267 D HN 0.301 nan 8.370 nan 0.000 0.460 268 K N 0.461 120.935 120.400 0.123 0.000 2.097 268 K HA -0.047 4.273 4.320 -0.000 0.000 0.205 268 K C 1.902 178.578 176.600 0.125 0.000 1.050 268 K CA 0.627 56.994 56.287 0.133 0.000 0.938 268 K CB -0.105 32.500 32.500 0.175 0.000 0.718 268 K HN 0.168 nan 8.250 nan 0.000 0.442 269 N N 0.592 119.373 118.700 0.135 0.000 2.120 269 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 269 N C 1.848 177.448 175.510 0.149 0.000 1.024 269 N CA 0.785 53.924 53.050 0.149 0.000 0.852 269 N CB -0.072 38.526 38.487 0.185 0.000 1.003 269 N HN 0.167 nan 8.380 nan 0.000 0.424 270 A N 1.261 124.158 122.820 0.129 0.000 1.908 270 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 270 A C 2.092 179.729 177.584 0.087 0.000 1.181 270 A CA 1.079 53.180 52.037 0.107 0.000 0.627 270 A CB -0.600 18.453 19.000 0.088 0.000 0.818 270 A HN 0.211 nan 8.150 nan 0.000 0.445 271 I N -1.009 119.609 120.570 0.080 0.000 2.202 271 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 271 I C 2.771 178.917 176.117 0.049 0.000 1.091 271 I CA 1.392 62.725 61.300 0.055 0.000 1.368 271 I CB -0.369 37.667 38.000 0.060 0.000 1.058 271 I HN 0.293 nan 8.210 nan 0.000 0.410 272 R N 0.527 121.075 120.500 0.080 0.000 2.091 272 R HA -0.237 4.103 4.340 -0.000 0.000 0.238 272 R C 2.234 178.552 176.300 0.030 0.000 1.136 272 R CA 1.806 57.948 56.100 0.070 0.000 0.959 272 R CB -0.389 29.992 30.300 0.135 0.000 0.856 272 R HN 0.427 nan 8.270 nan 0.000 0.437 273 E N 1.186 121.462 120.200 0.126 0.000 2.072 273 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 273 E C 1.985 178.607 176.600 0.037 0.000 0.985 273 E CA 1.157 57.646 56.400 0.150 0.000 0.801 273 E CB 0.113 29.970 29.700 0.261 0.000 0.750 273 E HN 0.168 nan 8.360 nan 0.000 0.452 274 K N 0.459 120.881 120.400 0.036 0.000 2.032 274 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 274 K C 1.717 178.315 176.600 -0.004 0.000 1.048 274 K CA 1.969 58.268 56.287 0.020 0.000 0.927 274 K CB -0.150 32.355 32.500 0.007 0.000 0.712 274 K HN 0.168 nan 8.250 nan 0.000 0.441 275 N N -0.195 118.477 118.700 -0.047 0.000 2.216 275 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 275 N C 1.770 177.203 175.510 -0.128 0.000 1.017 275 N CA 0.692 53.705 53.050 -0.061 0.000 0.861 275 N CB -0.075 38.362 38.487 -0.085 0.000 0.986 275 N HN 0.261 nan 8.380 nan 0.000 0.428 276 A N 1.231 123.874 122.820 -0.294 0.000 1.902 276 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 276 A C 2.139 179.574 177.584 -0.249 0.000 1.181 276 A CA 1.182 52.894 52.037 -0.542 0.000 0.623 276 A CB -0.415 17.915 19.000 -1.118 0.000 0.818 276 A HN 0.186 nan 8.150 nan 0.000 0.443 277 M N -1.988 117.560 119.600 -0.086 0.000 2.175 277 M HA -0.055 4.425 4.480 -0.000 0.000 0.264 277 M C 2.105 178.421 176.300 0.027 0.000 1.063 277 M CA 1.630 56.944 55.300 0.023 0.000 1.119 277 M CB -0.435 32.203 32.600 0.063 0.000 1.377 277 M HN 0.558 nan 8.290 nan 0.000 0.415 278 F N 1.537 121.421 119.950 -0.111 0.000 2.095 278 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 278 F C 1.815 177.539 175.800 -0.127 0.000 1.104 278 F CA 1.681 59.620 58.000 -0.101 0.000 1.232 278 F CB -0.336 38.600 39.000 -0.107 0.000 0.987 278 F HN -0.029 nan 8.300 nan 0.000 0.475 279 L N 0.137 121.205 121.223 -0.259 0.000 2.093 279 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 279 L C 2.198 178.928 176.870 -0.234 0.000 1.085 279 L CA 1.784 56.377 54.840 -0.413 0.000 0.755 279 L CB -0.979 40.684 42.059 -0.661 0.000 0.904 279 L HN 0.245 nan 8.230 nan 0.000 0.435 280 N N 0.235 118.895 118.700 -0.066 0.000 2.069 280 N HA -0.239 4.501 4.740 -0.000 0.000 0.191 280 N C 1.361 176.843 175.510 -0.047 0.000 1.031 280 N CA 1.583 54.661 53.050 0.047 0.000 0.852 280 N CB -0.103 38.448 38.487 0.106 0.000 1.018 280 N HN 0.540 nan 8.380 nan 0.000 0.423 281 D N 0.256 120.594 120.400 -0.103 0.000 2.183 281 D HA -0.047 4.593 4.640 -0.000 0.000 0.203 281 D C 1.691 177.889 176.300 -0.169 0.000 0.969 281 D CA 0.929 54.864 54.000 -0.110 0.000 0.842 281 D CB -0.109 40.636 40.800 -0.092 0.000 0.957 281 D HN 0.223 nan 8.370 nan 0.000 0.484 282 A N 0.589 123.228 122.820 -0.301 0.000 1.874 282 A HA 0.115 4.435 4.320 -0.000 0.000 0.214 282 A C 2.312 179.776 177.584 -0.200 0.000 1.189 282 A CA 0.706 52.556 52.037 -0.311 0.000 0.615 282 A CB -0.840 17.834 19.000 -0.544 0.000 0.830 282 A HN 0.261 nan 8.150 nan 0.000 0.443 283 L N 0.869 121.968 121.223 -0.207 0.000 2.141 283 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 283 L C 2.808 179.637 176.870 -0.068 0.000 1.094 283 L CA 1.423 56.164 54.840 -0.166 0.000 0.763 283 L CB -0.439 41.460 42.059 -0.266 0.000 0.908 283 L HN 0.591 nan 8.230 nan 0.000 0.437 284 S N -0.227 115.444 115.700 -0.048 0.000 2.474 284 S HA -0.142 4.328 4.470 -0.000 0.000 0.235 284 S C 2.111 176.715 174.600 0.006 0.000 0.997 284 S CA 1.093 59.290 58.200 -0.004 0.000 0.949 284 S CB -0.375 62.824 63.200 -0.002 0.000 0.766 284 S HN 0.428 nan 8.310 nan 0.000 0.517 285 K N 1.194 121.586 120.400 -0.013 0.000 2.418 285 K HA 0.420 4.740 4.320 -0.000 0.000 0.195 285 K C 0.743 177.358 176.600 0.025 0.000 1.035 285 K CA 0.602 56.888 56.287 -0.001 0.000 1.003 285 K CB -0.763 31.723 32.500 -0.023 0.000 0.793 285 K HN 0.707 nan 8.250 nan 0.000 0.494 286 I N 2.220 122.818 120.570 0.046 0.000 2.352 286 I HA 0.093 4.263 4.170 -0.000 0.000 0.290 286 I C -0.253 175.951 176.117 0.145 0.000 1.036 286 I CA -0.873 60.486 61.300 0.099 0.000 1.336 286 I CB 1.280 39.368 38.000 0.146 0.000 1.407 286 I HN 0.180 nan 8.210 nan 0.000 0.497 287 D N 5.240 125.711 120.400 0.118 0.000 2.450 287 D HA 0.187 4.827 4.640 -0.000 0.000 0.247 287 D C 1.041 177.474 176.300 0.222 0.000 1.162 287 D CA 1.446 55.518 54.000 0.121 0.000 0.879 287 D CB 0.831 41.667 40.800 0.060 0.000 1.163 287 D HN 0.838 nan 8.370 nan 0.000 0.472 288 G N 3.389 112.350 108.800 0.268 0.000 2.213 288 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.236 288 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.236 288 G C 0.236 175.443 174.900 0.512 0.000 0.991 288 G CA 0.002 45.378 45.100 0.460 0.000 0.629 288 G HN 0.498 nan 8.290 nan 0.000 0.517 289 I N 0.679 121.472 120.570 0.371 0.000 2.377 289 I HA 0.643 4.813 4.170 -0.000 0.000 0.293 289 I C 0.070 176.282 176.117 0.159 0.000 0.987 289 I CA -0.991 60.466 61.300 0.262 0.000 1.185 289 I CB 1.608 39.735 38.000 0.211 0.000 1.341 289 I HN 0.083 nan 8.210 nan 0.000 0.455 290 K N 5.399 125.874 120.400 0.126 0.000 2.426 290 K HA 0.545 4.864 4.320 -0.000 0.000 0.254 290 K C -0.649 175.975 176.600 0.041 0.000 0.936 290 K CA -0.521 55.803 56.287 0.062 0.000 0.801 290 K CB 1.701 34.218 32.500 0.028 0.000 1.139 290 K HN 0.436 nan 8.250 nan 0.000 0.424 291 V N 1.066 120.995 119.914 0.025 0.000 3.170 291 V HA 0.539 4.659 4.120 -0.000 0.000 0.309 291 V C 0.225 176.288 176.094 -0.052 0.000 1.071 291 V CA -0.945 61.358 62.300 0.004 0.000 1.063 291 V CB 0.936 32.782 31.823 0.040 0.000 1.123 291 V HN 0.612 nan 8.190 nan 0.000 0.464 292 M N 1.736 121.283 119.600 -0.088 0.000 2.242 292 M HA 0.342 4.822 4.480 -0.000 0.000 0.344 292 M C 0.317 176.600 176.300 -0.029 0.000 1.140 292 M CA -0.048 55.186 55.300 -0.109 0.000 1.160 292 M CB 0.161 32.685 32.600 -0.127 0.000 1.491 292 M HN 1.008 nan 8.290 nan 0.000 0.459 293 K N 2.390 122.771 120.400 -0.031 0.000 2.285 293 K HA 0.347 4.667 4.320 -0.000 0.000 0.286 293 K C -0.044 176.574 176.600 0.031 0.000 1.072 293 K CA -0.484 55.807 56.287 0.006 0.000 0.913 293 K CB 0.131 32.632 32.500 0.003 0.000 1.067 293 K HN 0.746 nan 8.250 nan 0.000 0.479 294 R N 3.871 124.398 120.500 0.045 0.000 2.234 294 R HA 0.267 4.607 4.340 -0.000 0.000 0.324 294 R C -2.248 174.068 176.300 0.028 0.000 1.054 294 R CA -1.347 54.784 56.100 0.052 0.000 0.912 294 R CB 0.355 30.697 30.300 0.070 0.000 1.030 294 R HN 0.463 nan 8.270 nan 0.000 0.455 295 P HA 0.079 nan 4.420 nan 0.000 0.268 295 P C -2.283 174.935 177.300 -0.137 0.000 1.205 295 P CA -1.108 61.983 63.100 -0.016 0.000 0.771 295 P CB 0.724 32.473 31.700 0.080 0.000 0.858 296 P HA -0.167 nan 4.420 nan 0.000 0.219 296 P C 1.032 178.151 177.300 -0.301 0.000 1.146 296 P CA 1.325 64.321 63.100 -0.173 0.000 0.808 296 P CB 0.040 31.662 31.700 -0.130 0.000 0.779 297 Q N -1.177 118.290 119.800 -0.555 0.000 2.364 297 Q HA -0.008 4.332 4.340 -0.000 0.000 0.207 297 Q C 0.345 175.914 176.000 -0.717 0.000 0.970 297 Q CA 0.561 55.840 55.803 -0.873 0.000 0.888 297 Q CB -0.535 27.094 28.738 -1.848 0.000 0.951 297 Q HN 0.116 nan 8.270 nan 0.000 0.469 298 V N 1.639 121.280 119.914 -0.454 0.000 2.408 298 V HA 0.050 4.170 4.120 -0.000 0.000 0.267 298 V C 0.927 176.951 176.094 -0.117 0.000 1.047 298 V CA 0.446 62.633 62.300 -0.189 0.000 0.937 298 V CB 1.179 32.976 31.823 -0.044 0.000 0.999 298 V HN 0.334 nan 8.190 nan 0.000 0.472 299 S N 4.481 120.127 115.700 -0.090 0.000 2.483 299 S HA 0.278 4.748 4.470 -0.000 0.000 0.221 299 S C 0.757 175.352 174.600 -0.008 0.000 1.030 299 S CA -0.260 57.908 58.200 -0.053 0.000 0.925 299 S CB 0.428 63.590 63.200 -0.063 0.000 0.795 299 S HN 0.556 nan 8.310 nan 0.000 0.511 300 R N 1.472 121.973 120.500 0.001 0.000 2.514 300 R HA 0.516 4.856 4.340 -0.000 0.000 0.296 300 R C -1.639 174.682 176.300 0.036 0.000 1.012 300 R CA -0.208 55.913 56.100 0.035 0.000 0.897 300 R CB 1.637 31.953 30.300 0.026 0.000 1.184 300 R HN 0.348 nan 8.270 nan 0.000 0.440 301 Q N 1.059 120.893 119.800 0.057 0.000 2.333 301 Q HA 0.368 4.708 4.340 -0.000 0.000 0.268 301 Q C -1.059 174.928 176.000 -0.021 0.000 1.007 301 Q CA -0.166 55.609 55.803 -0.045 0.000 0.810 301 Q CB 1.767 30.398 28.738 -0.180 0.000 1.264 301 Q HN 0.448 nan 8.270 nan 0.000 0.452 302 T N 4.863 119.409 114.554 -0.014 0.000 2.780 302 T HA 0.270 4.620 4.350 -0.000 0.000 0.294 302 T C -0.932 173.774 174.700 0.010 0.000 0.949 302 T CA 0.131 62.287 62.100 0.093 0.000 1.074 302 T CB 0.069 69.039 68.868 0.171 0.000 0.910 302 T HN 0.407 nan 8.240 nan 0.000 0.501 303 Y N 3.722 124.108 120.300 0.144 0.000 2.804 303 Y HA 0.210 4.759 4.550 -0.000 0.000 0.330 303 Y C 0.832 176.814 175.900 0.138 0.000 1.092 303 Y CA -0.953 57.248 58.100 0.167 0.000 1.315 303 Y CB 0.039 38.603 38.460 0.173 0.000 1.188 303 Y HN 0.775 nan 8.280 nan 0.000 0.512 304 Y N 1.597 121.995 120.300 0.164 0.000 2.293 304 Y HA 0.182 4.732 4.550 -0.000 0.000 0.291 304 Y C 0.878 176.897 175.900 0.199 0.000 1.137 304 Y CA 0.766 58.933 58.100 0.112 0.000 1.202 304 Y CB 0.253 38.807 38.460 0.157 0.000 0.990 304 Y HN 0.407 nan 8.280 nan 0.000 0.537 305 G N -0.993 107.886 108.800 0.132 0.000 2.740 305 G HA2 0.334 4.294 3.960 -0.000 0.000 0.296 305 G HA3 0.334 4.294 3.960 -0.000 0.000 0.296 305 G C -2.413 172.596 174.900 0.182 0.000 1.439 305 G CA -0.691 44.402 45.100 -0.012 0.000 1.066 305 G HN 0.147 nan 8.290 nan 0.000 0.527 306 Y N 3.021 123.322 120.300 0.001 0.000 2.341 306 Y HA 0.594 5.144 4.550 -0.000 0.000 0.340 306 Y C -0.495 175.379 175.900 -0.043 0.000 0.997 306 Y CA -0.561 57.583 58.100 0.074 0.000 1.149 306 Y CB 1.347 39.795 38.460 -0.020 0.000 1.171 306 Y HN 0.359 nan 8.280 nan 0.000 0.494 307 V N 8.411 127.952 119.914 -0.622 0.000 2.555 307 V HA 0.508 4.628 4.120 -0.000 0.000 0.302 307 V C -0.769 175.013 176.094 -0.521 0.000 1.038 307 V CA -0.849 61.116 62.300 -0.558 0.000 0.887 307 V CB 1.154 32.733 31.823 -0.406 0.000 0.991 307 V HN 0.652 nan 8.190 nan 0.000 0.434 308 F N 2.236 121.916 119.950 -0.449 0.000 2.588 308 F HA 0.939 5.466 4.527 -0.000 0.000 0.310 308 F C -0.556 175.108 175.800 -0.227 0.000 1.082 308 F CA -1.369 56.444 58.000 -0.312 0.000 0.929 308 F CB 1.607 40.497 39.000 -0.184 0.000 1.254 308 F HN 0.297 nan 8.300 nan 0.000 0.455 309 R N 1.890 122.364 120.500 -0.044 0.000 2.720 309 R HA 0.777 5.117 4.340 -0.000 0.000 0.272 309 R C -1.453 174.847 176.300 0.001 0.000 0.991 309 R CA -0.777 55.240 56.100 -0.139 0.000 1.010 309 R CB 1.696 31.915 30.300 -0.135 0.000 1.141 309 R HN 0.759 nan 8.270 nan 0.000 0.494 310 F N -1.809 118.016 119.950 -0.209 0.000 2.599 310 F HA 0.482 5.009 4.527 -0.000 0.000 0.311 310 F C -1.013 174.772 175.800 -0.024 0.000 1.076 310 F CA -1.468 56.418 58.000 -0.189 0.000 0.937 310 F CB 1.618 40.261 39.000 -0.595 0.000 1.282 310 F HN 0.264 nan 8.300 nan 0.000 0.460 311 D N 3.663 124.253 120.400 0.317 0.000 2.380 311 D HA 0.383 5.023 4.640 -0.000 0.000 0.230 311 D C -1.965 174.607 176.300 0.452 0.000 1.154 311 D CA -2.553 51.594 54.000 0.244 0.000 0.859 311 D CB 1.727 42.680 40.800 0.254 0.000 1.045 311 D HN 0.246 nan 8.370 nan 0.000 0.495 312 P HA -0.168 nan 4.420 nan 0.000 0.217 312 P C 1.520 178.946 177.300 0.210 0.000 1.148 312 P CA 0.568 63.877 63.100 0.347 0.000 0.828 312 P CB 0.405 32.201 31.700 0.160 0.000 0.783 313 V N -0.191 119.810 119.914 0.145 0.000 2.490 313 V HA -0.211 3.909 4.120 -0.000 0.000 0.250 313 V C 1.847 177.975 176.094 0.057 0.000 1.061 313 V CA 1.791 64.137 62.300 0.077 0.000 1.064 313 V CB -0.949 30.912 31.823 0.063 0.000 0.670 313 V HN 0.226 nan 8.190 nan 0.000 0.461 314 K N -1.452 119.024 120.400 0.128 0.000 2.374 314 K HA 0.206 4.526 4.320 -0.000 0.000 0.196 314 K C 0.145 176.609 176.600 -0.227 0.000 1.023 314 K CA 0.178 56.466 56.287 0.003 0.000 1.103 314 K CB 0.319 32.851 32.500 0.053 0.000 0.848 314 K HN 0.379 nan 8.250 nan 0.000 0.528 315 F N 0.667 120.583 119.950 -0.057 0.000 2.831 315 F HA 0.249 4.776 4.527 -0.000 0.000 0.355 315 F C 0.908 176.038 175.800 -1.116 0.000 1.341 315 F CA -0.681 57.104 58.000 -0.357 0.000 1.201 315 F CB 1.098 40.135 39.000 0.061 0.000 1.058 315 F HN 0.099 nan 8.300 nan 0.000 0.514 316 G N 0.283 108.381 108.800 -1.170 0.000 2.269 316 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.277 316 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.277 316 G C 1.359 176.054 174.900 -0.342 0.000 1.008 316 G CA 0.497 45.042 45.100 -0.925 0.000 0.774 316 G HN 1.379 nan 8.290 nan 0.000 0.511 317 G N -1.762 106.952 108.800 -0.144 0.000 2.155 317 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.257 317 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.257 317 G C 0.553 175.493 174.900 0.067 0.000 0.983 317 G CA 0.569 45.670 45.100 0.002 0.000 0.676 317 G HN 1.340 nan 8.290 nan 0.000 0.528 318 L N 0.986 122.251 121.223 0.071 0.000 2.483 318 L HA 0.269 4.609 4.340 -0.000 0.000 0.276 318 L C 1.050 178.111 176.870 0.319 0.000 1.213 318 L CA -0.224 54.704 54.840 0.146 0.000 0.843 318 L CB 0.260 42.369 42.059 0.084 0.000 1.107 318 L HN 0.543 nan 8.230 nan 0.000 0.487 319 N N 1.705 120.562 118.700 0.262 0.000 2.478 319 N HA 0.314 5.054 4.740 -0.000 0.000 0.275 319 N C 0.417 176.164 175.510 0.393 0.000 1.221 319 N CA -0.237 52.991 53.050 0.297 0.000 0.979 319 N CB 0.999 39.578 38.487 0.152 0.000 1.202 319 N HN 0.560 nan 8.380 nan 0.000 0.564 320 A N -0.083 122.948 122.820 0.351 0.000 1.933 320 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 320 A C 1.388 179.065 177.584 0.154 0.000 1.175 320 A CA 1.597 53.800 52.037 0.277 0.000 0.628 320 A CB -0.741 18.322 19.000 0.106 0.000 0.814 320 A HN 0.736 nan 8.150 nan 0.000 0.444 321 D N -0.287 120.187 120.400 0.123 0.000 2.104 321 D HA -0.170 4.470 4.640 -0.000 0.000 0.194 321 D C 2.224 178.587 176.300 0.106 0.000 0.994 321 D CA 1.693 55.749 54.000 0.094 0.000 0.830 321 D CB -0.423 40.424 40.800 0.078 0.000 0.959 321 D HN 0.646 nan 8.370 nan 0.000 0.452 322 Q N -0.809 119.063 119.800 0.120 0.000 2.079 322 Q HA -0.109 4.231 4.340 -0.000 0.000 0.200 322 Q C 2.059 178.123 176.000 0.107 0.000 0.974 322 Q CA 0.616 56.479 55.803 0.100 0.000 0.840 322 Q CB -0.179 28.615 28.738 0.093 0.000 0.898 322 Q HN 0.214 nan 8.270 nan 0.000 0.430 323 F N 0.752 120.666 119.950 -0.061 0.000 2.095 323 F HA -0.280 4.247 4.527 -0.000 0.000 0.298 323 F C 2.140 177.885 175.800 -0.091 0.000 1.104 323 F CA 1.000 58.904 58.000 -0.159 0.000 1.232 323 F CB -0.470 38.262 39.000 -0.445 0.000 0.987 323 F HN 0.096 nan 8.300 nan 0.000 0.475 324 C N 0.229 119.671 119.300 0.237 0.000 2.429 324 C HA -0.137 4.323 4.460 -0.000 0.000 0.277 324 C C 3.080 178.129 174.990 0.099 0.000 1.262 324 C CA 1.493 60.592 59.018 0.136 0.000 1.733 324 C CB -1.688 26.085 27.740 0.055 0.000 2.010 324 C HN 0.656 nan 8.230 nan 0.000 0.483 325 E N 0.637 120.887 120.200 0.084 0.000 2.085 325 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 325 E C 1.623 178.252 176.600 0.048 0.000 0.994 325 E CA 1.743 58.181 56.400 0.062 0.000 0.801 325 E CB -0.724 29.009 29.700 0.056 0.000 0.743 325 E HN 0.730 nan 8.360 nan 0.000 0.453 326 I N 0.092 120.681 120.570 0.032 0.000 2.179 326 I HA -0.235 3.935 4.170 -0.000 0.000 0.242 326 I C 2.821 178.948 176.117 0.017 0.000 1.088 326 I CA 1.355 62.654 61.300 -0.003 0.000 1.357 326 I CB -0.238 37.716 38.000 -0.077 0.000 1.051 326 I HN 0.244 nan 8.210 nan 0.000 0.409 327 L N 0.090 121.344 121.223 0.052 0.000 2.046 327 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 327 L C 2.765 179.670 176.870 0.058 0.000 1.077 327 L CA 1.372 56.259 54.840 0.078 0.000 0.747 327 L CB -0.628 41.524 42.059 0.155 0.000 0.896 327 L HN 0.197 nan 8.230 nan 0.000 0.432 328 R N -0.450 120.081 120.500 0.053 0.000 2.120 328 R HA -0.158 4.181 4.340 -0.000 0.000 0.234 328 R C 2.251 178.586 176.300 0.057 0.000 1.123 328 R CA 0.928 57.055 56.100 0.044 0.000 0.975 328 R CB -0.226 30.105 30.300 0.052 0.000 0.866 328 R HN 0.332 nan 8.270 nan 0.000 0.446 329 E N 1.167 121.398 120.200 0.052 0.000 2.072 329 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 329 E C 1.572 178.205 176.600 0.055 0.000 0.985 329 E CA 1.187 57.617 56.400 0.049 0.000 0.801 329 E CB 0.244 29.965 29.700 0.034 0.000 0.750 329 E HN 0.066 nan 8.360 nan 0.000 0.452 330 K N 0.246 120.678 120.400 0.053 0.000 2.155 330 K HA -0.020 4.300 4.320 -0.000 0.000 0.203 330 K C 2.233 178.894 176.600 0.102 0.000 1.052 330 K CA 0.622 56.945 56.287 0.060 0.000 0.948 330 K CB -0.080 32.447 32.500 0.046 0.000 0.728 330 K HN 0.256 nan 8.250 nan 0.000 0.448 331 L N -0.146 121.154 121.223 0.129 0.000 2.554 331 L HA 0.131 4.471 4.340 -0.000 0.000 0.225 331 L C 0.433 177.500 176.870 0.329 0.000 1.104 331 L CA -0.099 54.887 54.840 0.243 0.000 0.866 331 L CB -0.351 41.804 42.059 0.160 0.000 1.047 331 L HN 0.348 nan 8.230 nan 0.000 0.468 332 N N 1.751 120.564 118.700 0.189 0.000 2.756 332 N HA -0.172 4.568 4.740 -0.000 0.000 0.248 332 N C -0.217 175.414 175.510 0.202 0.000 1.062 332 N CA 0.052 53.211 53.050 0.182 0.000 0.696 332 N CB -0.448 38.147 38.487 0.180 0.000 0.946 332 N HN 0.404 nan 8.380 nan 0.000 0.548 333 M N -1.109 118.532 119.600 0.068 0.000 2.602 333 M HA 0.656 5.136 4.480 -0.000 0.000 0.312 333 M C 0.734 177.080 176.300 0.077 0.000 1.181 333 M CA -0.531 54.755 55.300 -0.023 0.000 0.910 333 M CB 1.732 34.098 32.600 -0.390 0.000 1.723 333 M HN -0.058 nan 8.290 nan 0.000 0.459 334 G N 0.735 109.645 108.800 0.183 0.000 2.636 334 G HA2 0.307 4.267 3.960 -0.000 0.000 0.246 334 G HA3 0.307 4.267 3.960 -0.000 0.000 0.246 334 G C 0.379 175.419 174.900 0.234 0.000 1.216 334 G CA -0.464 44.784 45.100 0.245 0.000 0.854 334 G HN 0.886 nan 8.290 nan 0.000 0.572 335 T N 0.905 115.562 114.554 0.171 0.000 2.833 335 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 335 T C 1.848 176.625 174.700 0.128 0.000 1.054 335 T CA 1.473 63.651 62.100 0.131 0.000 1.135 335 T CB -0.256 68.665 68.868 0.088 0.000 0.869 335 T HN 0.438 nan 8.240 nan 0.000 0.466 336 F N 0.717 120.630 119.950 -0.062 0.000 2.216 336 F HA -0.069 4.458 4.527 -0.000 0.000 0.300 336 F C 1.436 177.041 175.800 -0.325 0.000 1.085 336 F CA 0.969 58.800 58.000 -0.281 0.000 1.326 336 F CB -0.196 38.508 39.000 -0.493 0.000 1.027 336 F HN 0.203 nan 8.300 nan 0.000 0.497 337 Y N -0.224 120.165 120.300 0.147 0.000 2.500 337 Y HA 0.312 4.862 4.550 -0.000 0.000 0.270 337 Y C 0.111 175.965 175.900 -0.077 0.000 1.134 337 Y CA 0.182 58.301 58.100 0.032 0.000 1.293 337 Y CB 0.445 38.928 38.460 0.040 0.000 1.063 337 Y HN -0.053 nan 8.280 nan 0.000 0.534 338 L N 1.351 122.607 121.223 0.055 0.000 2.541 338 L HA 0.430 4.770 4.340 -0.000 0.000 0.266 338 L C -1.517 175.306 176.870 -0.079 0.000 0.966 338 L CA -0.512 54.264 54.840 -0.107 0.000 0.871 338 L CB 1.053 43.079 42.059 -0.055 0.000 1.232 338 L HN 0.327 nan 8.230 nan 0.000 0.408 339 H N 2.316 121.294 119.070 -0.153 0.000 2.950 339 H HA 0.671 5.227 4.556 -0.000 0.000 0.307 339 H C -3.152 172.052 175.328 -0.207 0.000 1.403 339 H CA -1.843 54.117 56.048 -0.146 0.000 1.145 339 H CB 1.095 30.768 29.762 -0.148 0.000 1.844 339 H HN 0.146 nan 8.280 nan 0.000 0.515 340 P HA 0.263 nan 4.420 nan 0.000 0.276 340 P C -2.527 174.761 177.300 -0.020 0.000 1.252 340 P CA -1.254 61.794 63.100 -0.087 0.000 0.802 340 P CB 0.214 31.901 31.700 -0.021 0.000 1.035 341 P HA 0.056 nan 4.420 nan 0.000 0.273 341 P C -0.614 176.688 177.300 0.005 0.000 1.250 341 P CA 0.049 63.094 63.100 -0.091 0.000 0.793 341 P CB 0.059 31.724 31.700 -0.059 0.000 1.011 342 Y N -0.937 119.504 120.300 0.234 0.000 2.459 342 Y HA 0.098 4.648 4.550 -0.000 0.000 0.349 342 Y C 1.138 177.069 175.900 0.050 0.000 1.266 342 Y CA -0.019 58.171 58.100 0.151 0.000 1.483 342 Y CB -0.552 38.018 38.460 0.183 0.000 1.362 342 Y HN 0.103 nan 8.280 nan 0.000 0.628 343 L N 2.920 124.263 121.223 0.200 0.000 2.439 343 L HA 0.285 4.625 4.340 -0.000 0.000 0.261 343 L C -2.095 174.770 176.870 -0.008 0.000 1.153 343 L CA -1.926 52.943 54.840 0.048 0.000 0.808 343 L CB 0.530 42.597 42.059 0.013 0.000 1.126 343 L HN 0.372 nan 8.230 nan 0.000 0.460 344 P HA -0.030 nan 4.420 nan 0.000 0.268 344 P C 0.822 177.935 177.300 -0.312 0.000 1.208 344 P CA -0.251 62.736 63.100 -0.189 0.000 0.777 344 P CB 0.600 32.188 31.700 -0.187 0.000 0.875 345 V N 2.199 121.882 119.914 -0.384 0.000 2.282 345 V HA -0.298 3.822 4.120 -0.000 0.000 0.249 345 V C 2.267 178.034 176.094 -0.545 0.000 1.057 345 V CA 2.362 64.333 62.300 -0.549 0.000 1.032 345 V CB -1.688 29.702 31.823 -0.722 0.000 0.645 345 V HN 0.753 nan 8.190 nan 0.000 0.447 346 H N 0.327 119.014 119.070 -0.637 0.000 2.489 346 H HA -0.076 4.480 4.556 -0.000 0.000 0.293 346 H C 1.558 176.969 175.328 0.140 0.000 1.066 346 H CA 1.197 57.165 56.048 -0.133 0.000 1.305 346 H CB -0.249 29.491 29.762 -0.037 0.000 1.386 346 H HN 0.354 nan 8.280 nan 0.000 0.551 347 K N 0.601 120.759 120.400 -0.404 0.000 2.353 347 K HA 0.046 4.366 4.320 -0.000 0.000 0.195 347 K C 0.462 177.038 176.600 -0.039 0.000 1.031 347 K CA -0.361 55.808 56.287 -0.196 0.000 1.079 347 K CB 0.308 32.611 32.500 -0.328 0.000 0.857 347 K HN 0.168 nan 8.250 nan 0.000 0.535 348 N N 2.852 121.528 118.700 -0.040 0.000 2.452 348 N HA 0.030 4.770 4.740 -0.000 0.000 0.266 348 N C -2.050 173.509 175.510 0.083 0.000 1.175 348 N CA -1.454 51.602 53.050 0.012 0.000 0.945 348 N CB 1.482 39.937 38.487 -0.053 0.000 1.063 348 N HN -0.169 nan 8.380 nan 0.000 0.472 349 P HA -0.075 nan 4.420 nan 0.000 0.221 349 P C 1.194 178.509 177.300 0.025 0.000 1.145 349 P CA 0.987 64.135 63.100 0.080 0.000 0.795 349 P CB 0.297 32.040 31.700 0.072 0.000 0.775 350 L N -3.182 118.043 121.223 0.004 0.000 2.376 350 L HA -0.002 4.337 4.340 -0.000 0.000 0.219 350 L C 0.975 177.779 176.870 -0.110 0.000 1.133 350 L CA 0.143 54.948 54.840 -0.058 0.000 0.816 350 L CB -0.473 41.544 42.059 -0.070 0.000 0.933 350 L HN -0.027 nan 8.230 nan 0.000 0.449 351 F N 1.839 121.644 119.950 -0.241 0.000 2.350 351 F HA 0.265 4.792 4.527 0.000 0.000 0.365 351 F C 0.306 175.862 175.800 -0.406 0.000 1.122 351 F CA -1.589 56.226 58.000 -0.308 0.000 1.139 351 F CB 0.393 39.245 39.000 -0.247 0.000 1.220 351 F HN 0.056 nan 8.300 nan 0.000 0.499 352 C N 5.589 124.252 119.300 -1.063 0.000 3.327 352 C HA 0.366 4.826 4.460 -0.000 0.000 0.192 352 C C -1.702 172.319 174.990 -1.615 0.000 1.603 352 C CA -1.410 56.562 59.018 -1.743 0.000 1.222 352 C CB -0.501 26.597 27.740 -1.070 0.000 1.981 352 C HN 0.556 nan 8.230 nan 0.000 0.563 353 P HA -0.157 nan 4.420 nan 0.000 0.216 353 P C 1.443 178.602 177.300 -0.236 0.000 1.150 353 P CA 1.948 64.715 63.100 -0.554 0.000 0.843 353 P CB -0.131 31.202 31.700 -0.611 0.000 0.787 354 W N 0.098 121.381 121.300 -0.029 0.000 2.538 354 W HA -0.072 4.588 4.660 -0.000 0.000 0.254 354 W C 1.331 177.857 176.519 0.012 0.000 1.249 354 W CA 1.445 58.819 57.345 0.048 0.000 1.253 354 W CB -2.447 27.069 29.460 0.092 0.000 1.130 354 W HN -0.020 nan 8.180 nan 0.000 0.618 355 T N -2.046 112.298 114.554 -0.348 0.000 3.100 355 T HA 0.082 4.432 4.350 -0.000 0.000 0.253 355 T C 0.479 175.087 174.700 -0.152 0.000 1.118 355 T CA 0.070 62.056 62.100 -0.191 0.000 1.058 355 T CB -0.117 68.562 68.868 -0.315 0.000 0.953 355 T HN 0.187 nan 8.240 nan 0.000 0.515 356 K N 0.713 121.007 120.400 -0.177 0.000 2.358 356 K HA 0.419 4.739 4.320 -0.000 0.000 0.260 356 K C 0.089 176.613 176.600 -0.126 0.000 0.956 356 K CA -0.661 55.496 56.287 -0.217 0.000 0.834 356 K CB 1.004 33.231 32.500 -0.455 0.000 1.102 356 K HN -0.218 nan 8.250 nan 0.000 0.431 357 N N 2.413 121.061 118.700 -0.086 0.000 2.381 357 N HA -0.127 4.613 4.740 -0.000 0.000 0.182 357 N C 1.383 176.873 175.510 -0.033 0.000 1.025 357 N CA 0.645 53.675 53.050 -0.033 0.000 0.888 357 N CB -0.019 38.453 38.487 -0.026 0.000 0.965 357 N HN 0.550 nan 8.380 nan 0.000 0.438 358 R N -0.076 120.361 120.500 -0.105 0.000 2.105 358 R HA -0.117 4.223 4.340 -0.000 0.000 0.239 358 R C -0.171 176.148 176.300 0.032 0.000 1.135 358 R CA 0.837 56.885 56.100 -0.087 0.000 0.967 358 R CB -0.196 29.987 30.300 -0.195 0.000 0.861 358 R HN 0.102 nan 8.270 nan 0.000 0.442 359 Y N 1.220 121.497 120.300 -0.038 0.000 2.346 359 Y HA 0.177 4.727 4.550 0.000 0.000 0.330 359 Y C 0.616 176.511 175.900 -0.009 0.000 1.178 359 Y CA -1.007 57.074 58.100 -0.031 0.000 1.331 359 Y CB 0.439 38.868 38.460 -0.051 0.000 1.253 359 Y HN -0.051 nan 8.280 nan 0.000 0.529 360 L N 3.127 124.445 121.223 0.158 0.000 2.490 360 L HA 0.056 4.396 4.340 -0.000 0.000 0.274 360 L C 1.601 178.519 176.870 0.080 0.000 1.201 360 L CA 0.205 55.094 54.840 0.083 0.000 0.869 360 L CB 0.097 42.182 42.059 0.043 0.000 1.123 360 L HN 0.868 nan 8.230 nan 0.000 0.484 361 K N 1.809 122.246 120.400 0.062 0.000 2.152 361 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 361 K C 2.024 178.641 176.600 0.028 0.000 1.048 361 K CA 1.895 58.216 56.287 0.057 0.000 0.933 361 K CB -1.052 31.472 32.500 0.040 0.000 0.721 361 K HN 0.879 nan 8.250 nan 0.000 0.447 362 S N 0.207 115.912 115.700 0.009 0.000 2.447 362 S HA -0.080 4.390 4.470 -0.000 0.000 0.233 362 S C 2.029 176.605 174.600 -0.041 0.000 1.006 362 S CA 1.393 59.579 58.200 -0.023 0.000 0.957 362 S CB -0.359 62.831 63.200 -0.018 0.000 0.773 362 S HN 0.928 nan 8.310 nan 0.000 0.507 363 V N -0.053 119.859 119.914 -0.004 0.000 3.570 363 V HA 0.310 4.430 4.120 -0.000 0.000 0.257 363 V C 2.306 178.475 176.094 0.124 0.000 1.272 363 V CA 0.300 62.609 62.300 0.016 0.000 1.079 363 V CB -0.627 31.181 31.823 -0.024 0.000 0.829 363 V HN 0.556 nan 8.190 nan 0.000 0.454 364 R N 0.536 121.114 120.500 0.130 0.000 2.200 364 R HA 0.131 4.471 4.340 -0.000 0.000 0.208 364 R C 1.121 177.689 176.300 0.446 0.000 1.033 364 R CA 0.290 56.549 56.100 0.265 0.000 1.000 364 R CB -0.275 30.174 30.300 0.249 0.000 0.906 364 R HN 0.364 nan 8.270 nan 0.000 0.462 365 K N 0.237 120.729 120.400 0.152 0.000 1.867 365 K HA -0.236 4.084 4.320 -0.000 0.000 0.140 365 K C 0.267 176.955 176.600 0.147 0.000 1.408 365 K CA 2.252 58.516 56.287 -0.038 0.000 0.461 365 K CB -1.882 30.252 32.500 -0.610 0.000 0.594 365 K HN 0.581 nan 8.250 nan 0.000 0.888 366 T N -2.753 111.870 114.554 0.114 0.000 2.865 366 T HA 0.447 4.797 4.350 -0.000 0.000 0.294 366 T C 1.081 175.649 174.700 -0.219 0.000 1.119 366 T CA 0.016 62.121 62.100 0.009 0.000 1.007 366 T CB 2.610 71.435 68.868 -0.071 0.000 1.225 366 T HN 0.545 nan 8.240 nan 0.000 0.515 367 E N 0.551 120.165 120.200 -0.976 0.000 2.058 367 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 367 E C 2.224 178.511 176.600 -0.521 0.000 0.997 367 E CA 1.542 56.990 56.400 -1.587 0.000 0.801 367 E CB -0.567 28.293 29.700 -1.400 0.000 0.746 367 E HN 0.759 nan 8.360 nan 0.000 0.450 368 A N 0.232 122.880 122.820 -0.287 0.000 1.933 368 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 368 A C 2.048 179.605 177.584 -0.045 0.000 1.175 368 A CA 1.503 53.468 52.037 -0.121 0.000 0.628 368 A CB -0.961 17.981 19.000 -0.098 0.000 0.814 368 A HN 0.630 nan 8.150 nan 0.000 0.444 369 Y N -0.939 119.258 120.300 -0.172 0.000 2.128 369 Y HA -0.272 4.278 4.550 -0.000 0.000 0.284 369 Y C 2.028 177.814 175.900 -0.190 0.000 1.154 369 Y CA 2.093 60.047 58.100 -0.245 0.000 1.149 369 Y CB -0.472 37.746 38.460 -0.404 0.000 0.976 369 Y HN 0.455 nan 8.280 nan 0.000 0.505 370 W N 0.126 121.643 121.300 0.362 0.000 2.441 370 W HA -0.003 4.656 4.660 -0.000 0.000 0.302 370 W C 2.392 179.091 176.519 0.300 0.000 1.191 370 W CA 0.592 58.203 57.345 0.443 0.000 1.327 370 W CB -0.366 29.574 29.460 0.800 0.000 1.128 370 W HN -0.277 nan 8.180 nan 0.000 0.522 371 R N 0.285 121.039 120.500 0.422 0.000 2.193 371 R HA -0.042 4.298 4.340 -0.000 0.000 0.229 371 R C 2.100 178.505 176.300 0.176 0.000 1.110 371 R CA 1.349 57.615 56.100 0.276 0.000 0.988 371 R CB -1.499 28.890 30.300 0.148 0.000 0.871 371 R HN 0.335 nan 8.270 nan 0.000 0.458 372 G N 0.462 109.309 108.800 0.077 0.000 2.813 372 G HA2 0.043 4.003 3.960 -0.000 0.000 0.209 372 G HA3 0.043 4.003 3.960 -0.000 0.000 0.209 372 G C 0.725 175.597 174.900 -0.047 0.000 1.150 372 G CA -0.254 44.838 45.100 -0.013 0.000 0.785 372 G HN 0.091 nan 8.290 nan 0.000 0.535 373 L N 0.013 121.232 121.223 -0.007 0.000 2.473 373 L HA 0.255 4.595 4.340 -0.000 0.000 0.268 373 L C 0.260 177.022 176.870 -0.180 0.000 1.215 373 L CA -0.213 54.518 54.840 -0.182 0.000 0.823 373 L CB 0.703 42.666 42.059 -0.160 0.000 1.099 373 L HN 0.180 nan 8.230 nan 0.000 0.483 374 H N 1.889 120.561 119.070 -0.663 0.000 2.823 374 H HA 0.307 4.863 4.556 0.000 0.000 0.332 374 H C -1.723 173.096 175.328 -0.848 0.000 0.980 374 H CA -0.636 55.111 56.048 -0.501 0.000 1.286 374 H CB 1.101 30.684 29.762 -0.297 0.000 1.541 374 H HN 0.455 nan 8.280 nan 0.000 0.521 375 Y N 5.934 126.087 120.300 -0.246 0.000 2.628 375 Y HA 0.207 4.757 4.550 -0.000 0.000 0.354 375 Y C -2.083 173.683 175.900 -0.223 0.000 1.061 375 Y CA -2.205 55.724 58.100 -0.284 0.000 1.251 375 Y CB 1.254 39.595 38.460 -0.199 0.000 1.098 375 Y HN 0.618 nan 8.280 nan 0.000 0.626 376 P HA -0.282 nan 4.420 nan 0.000 0.218 376 P C 1.708 178.997 177.300 -0.019 0.000 1.165 376 P CA 1.902 64.920 63.100 -0.137 0.000 0.922 376 P CB 0.411 32.004 31.700 -0.178 0.000 0.794 377 V N -0.577 119.331 119.914 -0.009 0.000 2.295 377 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 377 V C 2.393 178.473 176.094 -0.023 0.000 1.049 377 V CA 2.495 64.804 62.300 0.015 0.000 1.024 377 V CB -1.561 30.291 31.823 0.048 0.000 0.648 377 V HN 0.150 nan 8.190 nan 0.000 0.447 378 S N -0.411 115.280 115.700 -0.014 0.000 2.383 378 S HA -0.243 4.227 4.470 -0.000 0.000 0.229 378 S C 1.942 176.509 174.600 -0.054 0.000 1.030 378 S CA 1.733 59.895 58.200 -0.062 0.000 1.002 378 S CB -0.310 62.889 63.200 -0.003 0.000 0.829 378 S HN 0.700 nan 8.310 nan 0.000 0.467 379 E N 0.685 120.896 120.200 0.019 0.000 2.106 379 E HA -0.100 4.250 4.350 -0.000 0.000 0.192 379 E C 2.246 178.830 176.600 -0.028 0.000 0.984 379 E CA 0.652 57.062 56.400 0.016 0.000 0.806 379 E CB -0.077 29.676 29.700 0.089 0.000 0.750 379 E HN 0.333 nan 8.360 nan 0.000 0.458 380 R N 0.697 121.175 120.500 -0.036 0.000 2.148 380 R HA -0.087 4.253 4.340 -0.000 0.000 0.227 380 R C 2.154 178.385 176.300 -0.114 0.000 1.103 380 R CA 1.002 57.068 56.100 -0.058 0.000 0.983 380 R CB -0.126 30.153 30.300 -0.035 0.000 0.874 380 R HN 0.138 nan 8.270 nan 0.000 0.451 381 A N 0.776 123.487 122.820 -0.181 0.000 1.884 381 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 381 A C 2.125 179.587 177.584 -0.203 0.000 1.197 381 A CA 2.310 54.162 52.037 -0.307 0.000 0.637 381 A CB -0.990 17.613 19.000 -0.662 0.000 0.827 381 A HN 0.604 nan 8.150 nan 0.000 0.450 382 S N -0.984 114.634 115.700 -0.137 0.000 2.507 382 S HA 0.136 4.606 4.470 -0.000 0.000 0.235 382 S C 1.633 176.193 174.600 -0.068 0.000 0.988 382 S CA 1.112 59.263 58.200 -0.081 0.000 0.944 382 S CB -0.504 62.681 63.200 -0.025 0.000 0.762 382 S HN 0.750 nan 8.310 nan 0.000 0.526 383 G N 1.194 109.941 108.800 -0.090 0.000 2.796 383 G HA2 0.181 4.141 3.960 -0.000 0.000 0.210 383 G HA3 0.181 4.141 3.960 -0.000 0.000 0.210 383 G C 0.923 175.727 174.900 -0.160 0.000 1.146 383 G CA 0.213 45.270 45.100 -0.071 0.000 0.779 383 G HN 0.730 nan 8.290 nan 0.000 0.535 384 Q N -0.360 119.243 119.800 -0.327 0.000 2.141 384 Q HA 0.464 4.804 4.340 -0.000 0.000 0.295 384 Q C -0.956 174.627 176.000 -0.695 0.000 0.870 384 Q CA -0.308 54.984 55.803 -0.851 0.000 1.096 384 Q CB 0.626 28.810 28.738 -0.923 0.000 1.288 384 Q HN 0.072 nan 8.270 nan 0.000 0.418 385 S N 0.651 116.143 115.700 -0.347 0.000 2.549 385 S HA 0.699 5.169 4.470 -0.000 0.000 0.280 385 S C -1.003 173.333 174.600 -0.440 0.000 1.109 385 S CA -0.551 57.450 58.200 -0.332 0.000 0.905 385 S CB 1.341 64.465 63.200 -0.127 0.000 1.081 385 S HN 0.315 nan 8.310 nan 0.000 0.477 386 I N 1.907 122.017 120.570 -0.767 0.000 2.433 386 I HA 0.489 4.659 4.170 -0.000 0.000 0.292 386 I C -0.748 174.902 176.117 -0.778 0.000 1.001 386 I CA -0.567 60.222 61.300 -0.853 0.000 1.119 386 I CB 1.839 39.033 38.000 -1.343 0.000 1.289 386 I HN 0.323 nan 8.210 nan 0.000 0.438 387 V N 6.361 125.856 119.914 -0.698 0.000 2.417 387 V HA 0.483 4.603 4.120 -0.000 0.000 0.291 387 V C -0.257 175.493 176.094 -0.573 0.000 1.024 387 V CA -0.597 61.256 62.300 -0.746 0.000 0.861 387 V CB 1.679 32.871 31.823 -1.052 0.000 0.985 387 V HN 0.367 nan 8.190 nan 0.000 0.436 388 I N 3.763 124.166 120.570 -0.279 0.000 2.339 388 I HA 0.331 4.501 4.170 -0.000 0.000 0.290 388 I C 0.227 176.274 176.117 -0.118 0.000 0.994 388 I CA -0.536 60.693 61.300 -0.119 0.000 1.191 388 I CB 1.025 39.071 38.000 0.076 0.000 1.343 388 I HN 0.725 nan 8.210 nan 0.000 0.458 389 H N 5.341 124.286 119.070 -0.208 0.000 2.871 389 H HA -0.023 4.533 4.556 0.000 0.000 0.355 389 H C 1.430 176.663 175.328 -0.159 0.000 1.092 389 H CA 0.569 56.458 56.048 -0.266 0.000 1.420 389 H CB 0.638 30.243 29.762 -0.261 0.000 1.400 389 H HN 0.650 nan 8.280 nan 0.000 0.604 390 H N 2.691 121.308 119.070 -0.754 0.000 2.457 390 H HA -0.124 4.432 4.556 -0.000 0.000 0.297 390 H C 1.884 177.098 175.328 -0.191 0.000 1.092 390 H CA 1.368 57.168 56.048 -0.413 0.000 1.309 390 H CB -0.367 29.118 29.762 -0.462 0.000 1.382 390 H HN 0.574 nan 8.280 nan 0.000 0.535 391 A N 1.825 124.438 122.820 -0.346 0.000 1.940 391 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 391 A C 2.200 179.881 177.584 0.162 0.000 1.176 391 A CA 1.619 53.721 52.037 0.108 0.000 0.631 391 A CB -0.518 18.760 19.000 0.464 0.000 0.814 391 A HN 0.436 nan 8.150 nan 0.000 0.446 392 I N 0.024 120.671 120.570 0.128 0.000 2.361 392 I HA -0.178 3.992 4.170 -0.000 0.000 0.251 392 I C 2.007 178.183 176.117 0.099 0.000 1.133 392 I CA 1.035 62.386 61.300 0.084 0.000 1.413 392 I CB -1.290 36.673 38.000 -0.063 0.000 1.073 392 I HN 0.299 nan 8.210 nan 0.000 0.424 393 L N -0.040 121.216 121.223 0.055 0.000 2.622 393 L HA -0.060 4.280 4.340 -0.000 0.000 0.233 393 L C 1.904 178.810 176.870 0.060 0.000 1.156 393 L CA 0.361 55.216 54.840 0.025 0.000 0.866 393 L CB -0.305 41.751 42.059 -0.004 0.000 0.980 393 L HN 0.212 nan 8.230 nan 0.000 0.448 394 L N -0.622 120.668 121.223 0.113 0.000 2.607 394 L HA 0.263 4.603 4.340 -0.000 0.000 0.228 394 L C 1.370 178.304 176.870 0.106 0.000 1.123 394 L CA -0.458 54.454 54.840 0.119 0.000 0.890 394 L CB -0.085 42.082 42.059 0.179 0.000 1.103 394 L HN 0.140 nan 8.230 nan 0.000 0.468 395 A N 0.221 123.125 122.820 0.140 0.000 2.327 395 A HA 0.280 4.600 4.320 -0.000 0.000 0.255 395 A C 0.097 177.674 177.584 -0.013 0.000 1.099 395 A CA -0.350 51.775 52.037 0.145 0.000 0.801 395 A CB 0.251 19.475 19.000 0.374 0.000 1.062 395 A HN 0.155 nan 8.150 nan 0.000 0.496 396 E N 0.831 120.917 120.200 -0.188 0.000 2.383 396 E HA 0.245 4.595 4.350 -0.000 0.000 0.264 396 E C -1.819 174.625 176.600 -0.261 0.000 1.050 396 E CA -1.302 54.910 56.400 -0.315 0.000 0.896 396 E CB 0.163 29.524 29.700 -0.565 0.000 0.982 396 E HN 0.341 nan 8.360 nan 0.000 0.424 397 P HA -0.256 nan 4.420 nan 0.000 0.216 397 P C 1.103 178.253 177.300 -0.251 0.000 1.153 397 P CA 1.868 64.702 63.100 -0.443 0.000 0.858 397 P CB 0.102 31.445 31.700 -0.594 0.000 0.789 398 S N -1.603 113.984 115.700 -0.189 0.000 2.387 398 S HA -0.282 4.188 4.470 -0.000 0.000 0.230 398 S C 1.834 176.498 174.600 0.106 0.000 1.035 398 S CA 1.483 59.655 58.200 -0.046 0.000 1.014 398 S CB -1.854 61.305 63.200 -0.067 0.000 0.836 398 S HN 0.367 nan 8.310 nan 0.000 0.466 399 H N 0.682 119.721 119.070 -0.052 0.000 2.363 399 H HA 0.128 4.684 4.556 -0.000 0.000 0.301 399 H C 1.925 177.380 175.328 0.211 0.000 1.074 399 H CA 0.963 56.984 56.048 -0.045 0.000 1.354 399 H CB -0.056 29.578 29.762 -0.212 0.000 1.397 399 H HN 0.229 nan 8.280 nan 0.000 0.516 400 L N 0.560 121.986 121.223 0.338 0.000 2.191 400 L HA -0.137 4.203 4.340 -0.000 0.000 0.212 400 L C 2.313 179.377 176.870 0.323 0.000 1.103 400 L CA 1.124 56.164 54.840 0.333 0.000 0.769 400 L CB -0.979 41.220 42.059 0.233 0.000 0.908 400 L HN 0.214 nan 8.230 nan 0.000 0.438 401 S N -0.004 115.883 115.700 0.312 0.000 2.419 401 S HA -0.116 4.354 4.470 -0.000 0.000 0.233 401 S C 2.069 176.780 174.600 0.184 0.000 1.016 401 S CA 0.790 59.156 58.200 0.277 0.000 0.974 401 S CB -0.133 63.208 63.200 0.236 0.000 0.786 401 S HN 0.371 nan 8.310 nan 0.000 0.492 402 L N 1.110 122.459 121.223 0.210 0.000 2.083 402 L HA -0.078 4.262 4.340 -0.000 0.000 0.209 402 L C 2.469 179.443 176.870 0.173 0.000 1.083 402 L CA 0.812 55.764 54.840 0.186 0.000 0.752 402 L CB -0.534 41.665 42.059 0.232 0.000 0.899 402 L HN 0.340 nan 8.230 nan 0.000 0.433 403 L N -0.102 121.236 121.223 0.192 0.000 2.017 403 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 403 L C 2.515 179.415 176.870 0.049 0.000 1.073 403 L CA 1.803 56.706 54.840 0.105 0.000 0.745 403 L CB -0.486 41.606 42.059 0.055 0.000 0.894 403 L HN 0.052 nan 8.230 nan 0.000 0.432 404 V N 0.791 120.721 119.914 0.027 0.000 2.295 404 V HA -0.287 3.833 4.120 -0.000 0.000 0.246 404 V C 2.419 178.516 176.094 0.006 0.000 1.049 404 V CA 2.029 64.308 62.300 -0.035 0.000 1.024 404 V CB -0.736 31.045 31.823 -0.071 0.000 0.648 404 V HN 0.426 nan 8.190 nan 0.000 0.447 405 D N 0.475 120.899 120.400 0.039 0.000 2.144 405 D HA -0.138 4.501 4.640 -0.000 0.000 0.199 405 D C 2.235 178.559 176.300 0.039 0.000 0.984 405 D CA 1.664 55.686 54.000 0.038 0.000 0.834 405 D CB -0.300 40.528 40.800 0.048 0.000 0.955 405 D HN 0.464 nan 8.370 nan 0.000 0.465 406 A N 0.788 123.641 122.820 0.055 0.000 1.877 406 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 406 A C 2.563 180.183 177.584 0.061 0.000 1.186 406 A CA 1.286 53.355 52.037 0.053 0.000 0.620 406 A CB -0.756 18.289 19.000 0.075 0.000 0.822 406 A HN 0.152 nan 8.150 nan 0.000 0.443 407 V N -0.171 119.800 119.914 0.096 0.000 2.427 407 V HA -0.210 3.909 4.120 -0.000 0.000 0.248 407 V C 3.001 179.199 176.094 0.172 0.000 1.051 407 V CA 1.802 64.206 62.300 0.173 0.000 1.048 407 V CB -1.204 30.698 31.823 0.133 0.000 0.666 407 V HN 0.613 nan 8.190 nan 0.000 0.456 408 A N -0.197 122.677 122.820 0.091 0.000 1.898 408 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 408 A C 2.174 179.779 177.584 0.035 0.000 1.181 408 A CA 1.746 53.824 52.037 0.069 0.000 0.620 408 A CB -0.389 18.629 19.000 0.029 0.000 0.819 408 A HN 0.619 nan 8.150 nan 0.000 0.442 409 E N -0.658 119.548 120.200 0.010 0.000 2.031 409 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 409 E C 1.951 178.501 176.600 -0.084 0.000 0.994 409 E CA 1.240 57.617 56.400 -0.038 0.000 0.800 409 E CB -0.332 29.345 29.700 -0.038 0.000 0.752 409 E HN 0.445 nan 8.360 nan 0.000 0.447 410 L N 1.179 122.363 121.223 -0.065 0.000 2.043 410 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 410 L C 2.200 179.012 176.870 -0.097 0.000 1.075 410 L CA 2.075 56.839 54.840 -0.127 0.000 0.752 410 L CB -0.653 41.343 42.059 -0.106 0.000 0.891 410 L HN 0.083 nan 8.230 nan 0.000 0.432 411 A N -0.455 122.411 122.820 0.078 0.000 1.902 411 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 411 A C 2.621 180.120 177.584 -0.142 0.000 1.181 411 A CA 2.260 54.265 52.037 -0.055 0.000 0.623 411 A CB -0.907 18.136 19.000 0.071 0.000 0.818 411 A HN 0.462 nan 8.150 nan 0.000 0.443 412 R N 0.392 120.825 120.500 -0.112 0.000 2.193 412 R HA -0.042 4.298 4.340 -0.000 0.000 0.229 412 R C 2.075 178.261 176.300 -0.189 0.000 1.110 412 R CA 2.047 58.076 56.100 -0.118 0.000 0.988 412 R CB -1.091 29.158 30.300 -0.085 0.000 0.871 412 R HN 0.718 nan 8.270 nan 0.000 0.458 413 K N -1.240 118.956 120.400 -0.339 0.000 2.365 413 K HA 0.005 4.325 4.320 -0.000 0.000 0.199 413 K C 0.444 176.688 176.600 -0.594 0.000 1.045 413 K CA 1.258 57.230 56.287 -0.527 0.000 0.962 413 K CB -0.001 32.031 32.500 -0.781 0.000 0.759 413 K HN 0.453 nan 8.250 nan 0.000 0.469 414 F N -0.359 119.513 119.950 -0.131 0.000 2.706 414 F HA 0.273 4.800 4.527 -0.000 0.000 0.308 414 F C 1.302 177.024 175.800 -0.131 0.000 1.095 414 F CA -0.778 57.141 58.000 -0.135 0.000 1.244 414 F CB -0.745 38.138 39.000 -0.195 0.000 1.063 414 F HN 0.089 nan 8.300 nan 0.000 0.582 415 C N 1.267 120.564 119.300 -0.005 0.000 2.553 415 C HA 0.848 5.308 4.460 -0.000 0.000 0.345 415 C C 0.732 175.716 174.990 -0.010 0.000 1.369 415 C CA 0.413 59.418 59.018 -0.021 0.000 2.447 415 C CB -0.095 nan 27.740 nan 0.000 2.358 415 C HN 0.452 nan 8.230 nan 0.000 0.676 416 V N 0.000 119.909 119.914 -0.009 0.000 2.409 416 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 416 V CA 0.000 nan 62.300 nan 0.000 1.235 416 V CB 0.000 nan 31.823 nan 0.000 1.184 416 V HN 0.000 nan 8.190 nan 0.000 0.556