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 3hrk_1_B DATA FIRST_RESID 49 DATA SEQUENCE VETEPVQGCR DFPPEAMRCR RHLFDVFHAT AKTFGFEEYD APVLESEELY DATA SEQUENCE IRKAGEEITE QMFNFITXXX HRVALRPEMT PSLARLLLGK GRSLLLPAKW DATA SEQUENCE YSIPQCWRYE AITRGRRREH YQWNMDIVGV KSVSAEVELV CAACWAMRSL DATA SEQUENCE GLSSKDVGIK VNSRKVLQTV VEQAGVTSDK FAPVCVIVDK MEKIPREEVE DATA SEQUENCE AQLAVLGLEP TVVDAITTTL SLKSIDEIAQ RVGEEHEAVK ELRQFFEQVE DATA SEQUENCE AYGYGDWVLF DASVVRGLAY YTGIVFEGFD REGKFRALCG GGRYDNLLTT DATA SEQUENCE YGSPTPIPCA GFGFGDCVIV ELLQEKRLLP DIPHVVDDVV IPFDESMRPH DATA SEQUENCE ALAVLRRLRD AGRSADIILD KKKVVQAFNY ADRVGAVRAV LVAPEEWERG DATA SEQUENCE EVQVKMLXXX XXXXXXXXXX XFAVPLDRLV 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 49 V HA 0.000 nan 4.120 nan 0.000 0.244 49 V C 0.000 176.099 176.094 0.009 0.000 1.182 49 V CA 0.000 62.304 62.300 0.007 0.000 1.235 49 V CB 0.000 31.826 31.823 0.006 0.000 1.184 50 E N 2.078 122.284 120.200 0.010 0.000 2.152 50 E HA 0.459 4.800 4.350 -0.014 0.000 0.285 50 E C 1.176 177.785 176.600 0.015 0.000 1.043 50 E CA 0.720 57.127 56.400 0.012 0.000 0.839 50 E CB 1.705 31.413 29.700 0.014 0.000 1.069 50 E HN 0.458 nan 8.360 nan 0.000 0.399 51 T N 1.246 115.808 114.554 0.014 0.000 3.039 51 T HA 0.143 4.485 4.350 -0.014 0.000 0.250 51 T C 0.469 175.180 174.700 0.017 0.000 1.052 51 T CA -0.103 62.006 62.100 0.014 0.000 1.125 51 T CB -0.078 68.796 68.868 0.010 0.000 0.908 51 T HN 0.314 nan 8.240 nan 0.000 0.473 52 E N 3.405 123.616 120.200 0.018 0.000 2.404 52 E HA 0.286 4.627 4.350 -0.014 0.000 0.261 52 E C -2.119 174.501 176.600 0.032 0.000 1.074 52 E CA -1.563 54.850 56.400 0.021 0.000 0.917 52 E CB 0.679 30.391 29.700 0.021 0.000 0.965 52 E HN 0.430 nan 8.360 nan 0.000 0.433 53 P HA 0.126 nan 4.420 nan 0.000 0.278 53 P C -0.329 177.019 177.300 0.081 0.000 1.258 53 P CA -0.522 62.614 63.100 0.059 0.000 0.811 53 P CB 0.584 32.317 31.700 0.055 0.000 1.063 54 V N 0.887 120.866 119.914 0.109 0.000 2.540 54 V HA 0.245 4.356 4.120 -0.014 0.000 0.297 54 V C 1.511 177.709 176.094 0.173 0.000 1.024 54 V CA 1.440 63.821 62.300 0.135 0.000 1.105 54 V CB -1.013 30.904 31.823 0.156 0.000 0.938 54 V HN 1.093 nan 8.190 nan 0.000 0.482 55 Q N 4.016 123.914 119.800 0.164 0.000 1.640 55 Q HA -0.286 4.046 4.340 -0.014 0.000 0.401 55 Q C 1.371 177.464 176.000 0.154 0.000 0.902 55 Q CA 1.749 57.665 55.803 0.189 0.000 0.738 55 Q CB -1.877 27.045 28.738 0.308 0.000 4.166 55 Q HN 1.991 nan 8.270 nan 0.000 0.686 56 G N -0.752 108.153 108.800 0.175 0.000 3.639 56 G HA2 0.443 4.395 3.960 -0.014 0.000 0.279 56 G HA3 0.443 4.395 3.960 -0.014 0.000 0.279 56 G C 0.292 175.241 174.900 0.082 0.000 1.312 56 G CA 0.597 45.764 45.100 0.110 0.000 1.355 56 G HN 1.089 nan 8.290 nan 0.000 0.595 57 C N -0.288 119.069 119.300 0.095 0.000 2.351 57 C HA 0.669 5.121 4.460 -0.014 0.000 0.359 57 C C 0.585 175.584 174.990 0.015 0.000 1.193 57 C CA -1.017 58.034 59.018 0.055 0.000 2.270 57 C CB 1.069 28.904 27.740 0.158 0.000 2.369 57 C HN 0.531 nan 8.230 nan 0.000 0.553 58 R N 1.144 121.631 120.500 -0.022 0.000 2.460 58 R HA 0.409 4.741 4.340 -0.014 0.000 0.303 58 R C -0.915 175.269 176.300 -0.194 0.000 0.968 58 R CA -0.437 55.552 56.100 -0.185 0.000 0.889 58 R CB 0.799 30.866 30.300 -0.388 0.000 1.123 58 R HN 0.659 nan 8.270 nan 0.000 0.455 59 D N 1.615 121.889 120.400 -0.210 0.000 2.339 59 D HA 0.122 4.753 4.640 -0.014 0.000 0.245 59 D C -0.535 175.546 176.300 -0.366 0.000 1.115 59 D CA 0.404 54.327 54.000 -0.129 0.000 0.917 59 D CB 0.763 41.527 40.800 -0.060 0.000 1.192 59 D HN 0.337 nan 8.370 nan 0.000 0.428 60 F N 1.897 121.854 119.950 0.012 0.000 2.550 60 F HA 0.231 4.750 4.527 -0.014 0.000 0.348 60 F C -1.733 174.050 175.800 -0.028 0.000 1.219 60 F CA -1.489 56.497 58.000 -0.022 0.000 1.203 60 F CB 1.297 40.266 39.000 -0.051 0.000 1.436 60 F HN -0.028 nan 8.300 nan 0.000 0.541 61 P HA 0.215 nan 4.420 nan 0.000 0.274 61 P C -2.273 175.058 177.300 0.050 0.000 1.246 61 P CA -1.431 61.701 63.100 0.053 0.000 0.795 61 P CB 0.776 32.486 31.700 0.017 0.000 1.006 62 P HA -0.238 nan 4.420 nan 0.000 0.218 62 P C 1.546 178.846 177.300 -0.000 0.000 1.154 62 P CA 1.695 64.796 63.100 0.002 0.000 0.872 62 P CB 0.021 31.722 31.700 0.003 0.000 0.790 63 E N -0.754 119.450 120.200 0.006 0.000 2.031 63 E HA -0.202 4.140 4.350 -0.014 0.000 0.193 63 E C 1.991 178.594 176.600 0.005 0.000 0.994 63 E CA 1.387 57.786 56.400 -0.002 0.000 0.800 63 E CB -0.516 29.180 29.700 -0.006 0.000 0.752 63 E HN 0.100 nan 8.360 nan 0.000 0.447 64 A N 0.663 123.498 122.820 0.026 0.000 1.898 64 A HA -0.165 4.147 4.320 -0.014 0.000 0.216 64 A C 2.087 179.756 177.584 0.142 0.000 1.181 64 A CA 1.577 53.654 52.037 0.067 0.000 0.620 64 A CB -0.523 18.493 19.000 0.027 0.000 0.819 64 A HN 0.383 nan 8.150 nan 0.000 0.442 65 M N 0.194 119.875 119.600 0.134 0.000 2.149 65 M HA -0.147 4.325 4.480 -0.014 0.000 0.261 65 M C 1.974 178.211 176.300 -0.105 0.000 1.064 65 M CA 1.509 56.821 55.300 0.019 0.000 1.102 65 M CB -0.602 31.985 32.600 -0.021 0.000 1.369 65 M HN 0.400 nan 8.290 nan 0.000 0.408 66 R N -1.182 119.278 120.500 -0.067 0.000 2.073 66 R HA -0.201 4.131 4.340 -0.014 0.000 0.234 66 R C 2.602 178.857 176.300 -0.075 0.000 1.134 66 R CA 1.722 57.772 56.100 -0.084 0.000 0.952 66 R CB -1.411 28.851 30.300 -0.063 0.000 0.850 66 R HN 0.644 nan 8.270 nan 0.000 0.433 67 C N 0.875 120.148 119.300 -0.045 0.000 2.401 67 C HA -0.146 4.306 4.460 -0.014 0.000 0.276 67 C C 2.739 177.698 174.990 -0.051 0.000 1.233 67 C CA 1.061 60.069 59.018 -0.018 0.000 1.753 67 C CB -0.834 26.911 27.740 0.008 0.000 2.029 67 C HN 0.426 nan 8.230 nan 0.000 0.478 68 R N -0.047 120.357 120.500 -0.160 0.000 2.070 68 R HA -0.079 4.253 4.340 -0.014 0.000 0.233 68 R C 2.754 178.715 176.300 -0.564 0.000 1.137 68 R CA 1.412 57.247 56.100 -0.442 0.000 0.945 68 R CB -0.385 29.423 30.300 -0.820 0.000 0.845 68 R HN 0.466 nan 8.270 nan 0.000 0.430 69 R N -0.296 119.931 120.500 -0.454 0.000 2.096 69 R HA -0.214 4.117 4.340 -0.014 0.000 0.240 69 R C 2.237 178.436 176.300 -0.169 0.000 1.139 69 R CA 2.135 58.047 56.100 -0.314 0.000 0.952 69 R CB -1.123 29.053 30.300 -0.207 0.000 0.854 69 R HN 0.498 nan 8.270 nan 0.000 0.436 70 H N 0.615 119.564 119.070 -0.202 0.000 2.353 70 H HA -0.158 4.390 4.556 -0.013 0.000 0.298 70 H C 1.889 177.075 175.328 -0.236 0.000 1.103 70 H CA 2.000 57.941 56.048 -0.179 0.000 1.293 70 H CB -0.257 29.415 29.762 -0.151 0.000 1.372 70 H HN 0.099 nan 8.280 nan 0.000 0.501 71 L N -0.894 120.110 121.223 -0.365 0.000 2.044 71 L HA -0.062 4.270 4.340 -0.014 0.000 0.205 71 L C 1.826 178.257 176.870 -0.732 0.000 1.075 71 L CA 1.437 55.928 54.840 -0.582 0.000 0.747 71 L CB -0.836 41.038 42.059 -0.308 0.000 0.903 71 L HN 0.225 nan 8.230 nan 0.000 0.435 72 F N 0.352 119.944 119.950 -0.597 0.000 2.134 72 F HA -0.170 4.350 4.527 -0.013 0.000 0.299 72 F C 2.348 177.983 175.800 -0.276 0.000 1.097 72 F CA 1.100 58.870 58.000 -0.382 0.000 1.264 72 F CB -1.226 37.713 39.000 -0.101 0.000 1.001 72 F HN 0.194 nan 8.300 nan 0.000 0.479 73 D N 0.036 120.425 120.400 -0.018 0.000 2.133 73 D HA -0.154 4.478 4.640 -0.014 0.000 0.195 73 D C 2.535 178.726 176.300 -0.181 0.000 0.997 73 D CA 1.201 55.181 54.000 -0.034 0.000 0.840 73 D CB -0.643 40.099 40.800 -0.095 0.000 0.947 73 D HN 0.101 nan 8.370 nan 0.000 0.452 74 V N 0.748 120.407 119.914 -0.425 0.000 2.358 74 V HA -0.224 3.888 4.120 -0.014 0.000 0.246 74 V C 2.158 177.927 176.094 -0.542 0.000 1.047 74 V CA 1.139 63.140 62.300 -0.498 0.000 1.035 74 V CB -0.522 30.904 31.823 -0.660 0.000 0.658 74 V HN 0.037 nan 8.190 nan 0.000 0.452 75 F N 0.231 119.688 119.950 -0.821 0.000 2.069 75 F HA -0.162 4.358 4.527 -0.013 0.000 0.298 75 F C 2.596 177.767 175.800 -1.048 0.000 1.113 75 F CA 1.451 58.538 58.000 -1.521 0.000 1.214 75 F CB -1.384 36.567 39.000 -1.748 0.000 0.978 75 F HN 0.272 nan 8.300 nan 0.000 0.474 76 H N -0.466 118.418 119.070 -0.310 0.000 2.293 76 H HA -0.071 4.477 4.556 -0.014 0.000 0.300 76 H C 2.348 177.596 175.328 -0.133 0.000 1.082 76 H CA 1.521 57.469 56.048 -0.166 0.000 1.308 76 H CB -0.867 28.899 29.762 0.007 0.000 1.375 76 H HN 0.231 nan 8.280 nan 0.000 0.495 77 A N 0.653 123.493 122.820 0.034 0.000 1.908 77 A HA -0.193 4.119 4.320 -0.014 0.000 0.218 77 A C 2.662 180.341 177.584 0.159 0.000 1.181 77 A CA 2.359 54.441 52.037 0.075 0.000 0.627 77 A CB -0.980 18.040 19.000 0.033 0.000 0.818 77 A HN 0.423 nan 8.150 nan 0.000 0.445 78 T N 0.174 114.794 114.554 0.111 0.000 2.737 78 T HA 0.020 4.362 4.350 -0.014 0.000 0.265 78 T C 2.259 177.170 174.700 0.352 0.000 1.038 78 T CA 1.575 63.894 62.100 0.366 0.000 1.144 78 T CB -0.556 68.446 68.868 0.222 0.000 0.866 78 T HN 0.633 nan 8.240 nan 0.000 0.434 79 A N 1.981 124.846 122.820 0.074 0.000 1.859 79 A HA -0.248 4.064 4.320 -0.014 0.000 0.218 79 A C 2.205 179.923 177.584 0.222 0.000 1.209 79 A CA 2.405 54.417 52.037 -0.042 0.000 0.639 79 A CB -0.790 17.706 19.000 -0.839 0.000 0.835 79 A HN 0.500 nan 8.150 nan 0.000 0.450 80 K N -1.258 119.236 120.400 0.157 0.000 2.020 80 K HA -0.186 4.126 4.320 -0.014 0.000 0.212 80 K C 2.050 178.790 176.600 0.233 0.000 1.050 80 K CA 2.145 58.557 56.287 0.208 0.000 0.929 80 K CB -0.524 32.075 32.500 0.164 0.000 0.714 80 K HN 0.497 nan 8.250 nan 0.000 0.443 81 T N 0.147 114.859 114.554 0.263 0.000 2.778 81 T HA -0.157 4.185 4.350 -0.014 0.000 0.269 81 T C 1.320 176.103 174.700 0.138 0.000 1.050 81 T CA 1.502 63.723 62.100 0.202 0.000 1.137 81 T CB -0.244 68.797 68.868 0.288 0.000 0.860 81 T HN 0.213 nan 8.240 nan 0.000 0.468 82 F N 0.494 120.561 119.950 0.195 0.000 2.765 82 F HA 0.371 4.889 4.527 -0.015 0.000 0.302 82 F C 1.711 177.713 175.800 0.336 0.000 1.111 82 F CA -0.080 58.076 58.000 0.261 0.000 1.359 82 F CB 0.245 39.447 39.000 0.335 0.000 1.097 82 F HN 0.275 nan 8.300 nan 0.000 0.577 83 G N 0.701 109.751 108.800 0.417 0.000 2.248 83 G HA2 -0.297 3.655 3.960 -0.014 0.000 0.263 83 G HA3 -0.297 3.655 3.960 -0.014 0.000 0.263 83 G C -0.243 174.827 174.900 0.284 0.000 1.082 83 G CA -0.518 44.747 45.100 0.275 0.000 0.863 83 G HN 0.145 nan 8.290 nan 0.000 0.495 84 F N 0.380 120.472 119.950 0.236 0.000 2.397 84 F HA 0.565 5.084 4.527 -0.014 0.000 0.331 84 F C 0.914 176.948 175.800 0.390 0.000 1.090 84 F CA -0.829 57.359 58.000 0.313 0.000 1.065 84 F CB 1.191 40.382 39.000 0.319 0.000 1.184 84 F HN 0.158 nan 8.300 nan 0.000 0.499 85 E N 1.011 121.510 120.200 0.498 0.000 2.231 85 E HA 0.191 4.533 4.350 -0.014 0.000 0.277 85 E C -0.727 176.015 176.600 0.238 0.000 0.999 85 E CA -0.739 55.842 56.400 0.302 0.000 0.827 85 E CB 1.429 31.140 29.700 0.018 0.000 1.101 85 E HN 0.507 nan 8.360 nan 0.000 0.393 86 E N 2.647 122.863 120.200 0.026 0.000 2.331 86 E HA 0.181 4.523 4.350 -0.014 0.000 0.272 86 E C -1.318 175.113 176.600 -0.282 0.000 1.036 86 E CA -0.269 55.839 56.400 -0.488 0.000 0.864 86 E CB 0.616 30.056 29.700 -0.434 0.000 1.035 86 E HN 0.446 nan 8.360 nan 0.000 0.408 87 Y N 0.793 120.822 120.300 -0.452 0.000 2.669 87 Y HA 0.703 5.245 4.550 -0.012 0.000 0.335 87 Y C -1.239 174.542 175.900 -0.199 0.000 1.116 87 Y CA -1.198 56.696 58.100 -0.344 0.000 1.081 87 Y CB 1.779 39.993 38.460 -0.409 0.000 1.297 87 Y HN 0.391 nan 8.280 nan 0.000 0.484 88 D N 0.262 120.585 120.400 -0.127 0.000 2.717 88 D HA 0.691 5.323 4.640 -0.014 0.000 0.223 88 D C -1.538 174.788 176.300 0.044 0.000 1.240 88 D CA -0.294 53.615 54.000 -0.152 0.000 0.801 88 D CB 2.314 43.040 40.800 -0.124 0.000 1.556 88 D HN 1.031 nan 8.370 nan 0.000 0.462 89 A N 2.144 124.994 122.820 0.050 0.000 2.344 89 A HA 0.907 5.218 4.320 -0.014 0.000 0.307 89 A C -2.570 175.040 177.584 0.044 0.000 1.151 89 A CA -1.384 50.698 52.037 0.075 0.000 0.842 89 A CB 0.768 19.834 19.000 0.110 0.000 1.350 89 A HN 0.479 nan 8.150 nan 0.000 0.459 90 P HA 0.191 nan 4.420 nan 0.000 0.271 90 P C 0.832 178.161 177.300 0.048 0.000 1.218 90 P CA -0.257 62.866 63.100 0.038 0.000 0.780 90 P CB 0.951 32.669 31.700 0.031 0.000 0.901 91 V N 3.269 123.211 119.914 0.045 0.000 2.515 91 V HA -0.086 4.026 4.120 -0.014 0.000 0.250 91 V C 0.833 176.955 176.094 0.048 0.000 1.058 91 V CA 1.247 63.582 62.300 0.058 0.000 1.064 91 V CB -0.504 31.358 31.823 0.065 0.000 0.675 91 V HN 0.324 nan 8.190 nan 0.000 0.461 92 L N 1.417 122.656 121.223 0.026 0.000 2.292 92 L HA 0.522 4.854 4.340 -0.014 0.000 0.284 92 L C -0.123 176.766 176.870 0.031 0.000 1.065 92 L CA 0.456 55.304 54.840 0.013 0.000 0.806 92 L CB 0.822 42.881 42.059 -0.000 0.000 1.175 92 L HN 0.213 nan 8.230 nan 0.000 0.431 93 E N 1.773 122.007 120.200 0.057 0.000 2.423 93 E HA 0.290 4.632 4.350 -0.014 0.000 0.269 93 E C -1.176 175.447 176.600 0.040 0.000 0.948 93 E CA -0.708 55.736 56.400 0.074 0.000 0.802 93 E CB 2.054 31.857 29.700 0.173 0.000 1.339 93 E HN 0.536 nan 8.360 nan 0.000 0.445 94 S N 0.178 115.884 115.700 0.010 0.000 2.562 94 S HA -0.029 4.433 4.470 -0.014 0.000 0.281 94 S C 1.127 175.750 174.600 0.038 0.000 1.333 94 S CA 0.188 58.377 58.200 -0.019 0.000 1.052 94 S CB 0.676 63.871 63.200 -0.007 0.000 0.884 94 S HN 0.571 nan 8.310 nan 0.000 0.506 95 E N 3.166 123.352 120.200 -0.023 0.000 2.058 95 E HA -0.175 4.167 4.350 -0.014 0.000 0.194 95 E C 2.332 178.992 176.600 0.100 0.000 0.997 95 E CA 1.645 58.077 56.400 0.052 0.000 0.801 95 E CB -0.431 29.229 29.700 -0.066 0.000 0.746 95 E HN 0.928 nan 8.360 nan 0.000 0.450 96 E N 0.789 121.008 120.200 0.033 0.000 2.169 96 E HA -0.270 4.071 4.350 -0.014 0.000 0.202 96 E C 1.851 178.475 176.600 0.039 0.000 1.016 96 E CA 1.656 58.088 56.400 0.054 0.000 0.817 96 E CB -1.178 28.567 29.700 0.075 0.000 0.736 96 E HN 0.293 nan 8.360 nan 0.000 0.462 97 L N -0.932 120.263 121.223 -0.048 0.000 2.127 97 L HA -0.103 4.229 4.340 -0.014 0.000 0.211 97 L C 1.461 178.195 176.870 -0.227 0.000 1.089 97 L CA 1.576 56.291 54.840 -0.209 0.000 0.757 97 L CB -0.221 41.516 42.059 -0.536 0.000 0.899 97 L HN 0.537 nan 8.230 nan 0.000 0.434 98 Y N -1.220 119.146 120.300 0.111 0.000 2.683 98 Y HA 0.320 4.862 4.550 -0.013 0.000 0.297 98 Y C 0.323 176.265 175.900 0.070 0.000 1.147 98 Y CA -0.644 57.520 58.100 0.108 0.000 1.274 98 Y CB -0.391 38.117 38.460 0.081 0.000 1.143 98 Y HN -0.041 nan 8.280 nan 0.000 0.527 99 I N 1.398 122.050 120.570 0.136 0.000 2.278 99 I HA 0.159 4.321 4.170 -0.014 0.000 0.296 99 I C 0.822 176.953 176.117 0.024 0.000 1.121 99 I CA 0.484 61.828 61.300 0.075 0.000 1.267 99 I CB 0.456 38.485 38.000 0.049 0.000 1.447 99 I HN 0.354 nan 8.210 nan 0.000 0.509 100 R N 3.254 123.773 120.500 0.032 0.000 2.306 100 R HA 0.251 4.583 4.340 -0.014 0.000 0.183 100 R C 0.057 176.355 176.300 -0.003 0.000 0.937 100 R CA -0.451 55.646 56.100 -0.005 0.000 1.118 100 R CB 0.228 30.531 30.300 0.006 0.000 1.224 100 R HN 0.277 nan 8.270 nan 0.000 0.597 101 K N 0.634 121.039 120.400 0.008 0.000 3.244 101 K HA -0.157 4.155 4.320 -0.014 0.000 0.270 101 K C -0.424 176.168 176.600 -0.014 0.000 1.016 101 K CA 0.402 56.690 56.287 0.001 0.000 0.754 101 K CB -1.218 31.286 32.500 0.006 0.000 1.326 101 K HN 0.398 nan 8.250 nan 0.000 0.465 102 A N 0.658 123.461 122.820 -0.028 0.000 3.163 102 A HA 0.498 4.809 4.320 -0.014 0.000 0.283 102 A C 1.457 179.011 177.584 -0.050 0.000 1.412 102 A CA 0.579 52.591 52.037 -0.042 0.000 1.053 102 A CB -0.206 18.758 19.000 -0.061 0.000 1.082 102 A HN 1.023 nan 8.150 nan 0.000 0.639 103 G N -0.336 108.443 108.800 -0.035 0.000 2.168 103 G HA2 -0.261 3.691 3.960 -0.014 0.000 0.257 103 G HA3 -0.261 3.691 3.960 -0.014 0.000 0.257 103 G C 0.042 174.917 174.900 -0.041 0.000 0.997 103 G CA 0.611 45.690 45.100 -0.035 0.000 0.708 103 G HN 0.690 nan 8.290 nan 0.000 0.520 104 E N -0.512 119.662 120.200 -0.043 0.000 2.391 104 E HA 0.345 4.687 4.350 -0.014 0.000 0.255 104 E C 0.943 177.524 176.600 -0.031 0.000 1.187 104 E CA -0.235 56.136 56.400 -0.049 0.000 0.941 104 E CB 0.568 30.235 29.700 -0.056 0.000 1.010 104 E HN 0.430 nan 8.360 nan 0.000 0.458 105 E N 0.316 120.498 120.200 -0.031 0.000 2.452 105 E HA 0.017 4.359 4.350 -0.014 0.000 0.197 105 E C 1.614 178.213 176.600 -0.002 0.000 1.022 105 E CA -0.009 56.380 56.400 -0.017 0.000 0.890 105 E CB 0.250 29.936 29.700 -0.022 0.000 0.918 105 E HN 0.472 nan 8.360 nan 0.000 0.496 106 I N 0.926 121.494 120.570 -0.005 0.000 2.928 106 I HA -0.148 4.013 4.170 -0.014 0.000 0.266 106 I C 1.785 177.915 176.117 0.021 0.000 1.234 106 I CA 0.828 62.135 61.300 0.011 0.000 1.483 106 I CB 0.251 38.253 38.000 0.002 0.000 1.097 106 I HN 0.005 nan 8.210 nan 0.000 0.455 107 T N 0.506 115.073 114.554 0.021 0.000 2.821 107 T HA -0.130 4.212 4.350 -0.014 0.000 0.267 107 T C 1.512 176.231 174.700 0.033 0.000 1.046 107 T CA 1.407 63.526 62.100 0.031 0.000 1.139 107 T CB -0.013 68.873 68.868 0.030 0.000 0.871 107 T HN 0.318 nan 8.240 nan 0.000 0.454 108 E N 1.000 121.221 120.200 0.034 0.000 2.307 108 E HA 0.119 4.461 4.350 -0.014 0.000 0.195 108 E C 1.152 177.801 176.600 0.081 0.000 0.975 108 E CA 0.204 56.631 56.400 0.045 0.000 0.878 108 E CB -0.021 29.699 29.700 0.035 0.000 0.845 108 E HN 0.438 nan 8.360 nan 0.000 0.488 109 Q N 0.454 120.305 119.800 0.085 0.000 2.892 109 Q HA 0.126 4.458 4.340 -0.014 0.000 0.237 109 Q C -0.587 175.523 176.000 0.184 0.000 1.157 109 Q CA 0.086 55.977 55.803 0.147 0.000 0.939 109 Q CB -0.405 28.399 28.738 0.109 0.000 1.715 109 Q HN 0.119 nan 8.270 nan 0.000 0.451 110 M N 0.182 119.864 119.600 0.138 0.000 2.464 110 M HA 0.362 4.834 4.480 -0.014 0.000 0.308 110 M C -1.395 174.924 176.300 0.033 0.000 1.127 110 M CA -0.517 54.850 55.300 0.111 0.000 0.913 110 M CB 1.288 33.906 32.600 0.030 0.000 1.689 110 M HN 0.068 nan 8.290 nan 0.000 0.445 111 F N 4.680 124.624 119.950 -0.011 0.000 2.541 111 F HA 0.317 4.836 4.527 -0.014 0.000 0.351 111 F C 0.107 175.919 175.800 0.019 0.000 1.209 111 F CA -0.685 57.285 58.000 -0.051 0.000 1.277 111 F CB -0.432 38.538 39.000 -0.049 0.000 1.632 111 F HN 0.492 nan 8.300 nan 0.000 0.619 112 N N 3.073 121.830 118.700 0.094 0.000 2.405 112 N HA 0.665 5.396 4.740 -0.014 0.000 0.299 112 N C -0.766 174.851 175.510 0.179 0.000 1.075 112 N CA -0.516 52.577 53.050 0.071 0.000 0.884 112 N CB 2.063 40.547 38.487 -0.005 0.000 1.194 112 N HN 0.334 nan 8.380 nan 0.000 0.491 113 F N -1.886 118.029 119.950 -0.057 0.000 3.052 113 F HA 0.677 5.196 4.527 -0.013 0.000 0.323 113 F C -1.740 174.027 175.800 -0.056 0.000 1.178 113 F CA -1.383 56.581 58.000 -0.060 0.000 0.892 113 F CB 1.164 40.127 39.000 -0.061 0.000 1.416 113 F HN 0.240 nan 8.300 nan 0.000 0.488 114 I N 1.375 122.028 120.570 0.138 0.000 2.509 114 I HA 0.413 4.575 4.170 -0.014 0.000 0.293 114 I C -0.111 176.087 176.117 0.134 0.000 1.020 114 I CA -0.785 60.517 61.300 0.004 0.000 1.088 114 I CB 1.998 40.011 38.000 0.022 0.000 1.267 114 I HN 0.843 nan 8.210 nan 0.000 0.430 120 R N 1.376 121.579 120.500 -0.494 0.000 2.707 120 R HA 0.611 4.942 4.340 -0.014 0.000 0.270 120 R C -0.520 175.533 176.300 -0.411 0.000 1.083 120 R CA -0.004 55.848 56.100 -0.412 0.000 1.182 120 R CB 0.761 30.836 30.300 -0.375 0.000 1.084 120 R HN 0.417 nan 8.270 nan 0.000 0.528 121 V N -4.176 115.481 119.914 -0.429 0.000 3.226 121 V HA 0.932 5.043 4.120 -0.014 0.000 0.304 121 V C -1.213 174.637 176.094 -0.406 0.000 1.336 121 V CA -0.629 61.424 62.300 -0.412 0.000 1.066 121 V CB 1.511 33.021 31.823 -0.522 0.000 1.087 121 V HN 1.222 nan 8.190 nan 0.000 0.451 122 A N 0.934 123.616 122.820 -0.230 0.000 2.604 122 A HA 0.794 5.106 4.320 -0.014 0.000 0.295 122 A C -1.311 176.261 177.584 -0.020 0.000 1.067 122 A CA -0.720 51.261 52.037 -0.094 0.000 0.683 122 A CB 1.552 20.535 19.000 -0.028 0.000 1.281 122 A HN 1.157 nan 8.150 nan 0.000 0.407 123 L N 2.829 124.066 121.223 0.022 0.000 2.319 123 L HA 0.343 4.675 4.340 -0.014 0.000 0.280 123 L C 1.241 178.122 176.870 0.019 0.000 1.099 123 L CA -0.612 54.208 54.840 -0.034 0.000 0.828 123 L CB 0.701 42.587 42.059 -0.289 0.000 1.150 123 L HN 0.923 nan 8.230 nan 0.000 0.442 124 R N 4.466 125.004 120.500 0.063 0.000 2.583 124 R HA 0.038 4.369 4.340 -0.014 0.000 0.274 124 R C -2.204 174.117 176.300 0.036 0.000 0.998 124 R CA -0.849 55.274 56.100 0.037 0.000 1.081 124 R CB 0.171 30.574 30.300 0.171 0.000 0.940 124 R HN 0.353 nan 8.270 nan 0.000 0.413 125 P HA 0.058 nan 4.420 nan 0.000 0.268 125 P C -0.981 176.361 177.300 0.069 0.000 1.248 125 P CA 0.469 63.584 63.100 0.025 0.000 0.851 125 P CB 0.503 32.192 31.700 -0.019 0.000 1.238 126 E N -2.301 117.952 120.200 0.089 0.000 2.392 126 E HA 0.423 4.764 4.350 -0.014 0.000 0.279 126 E C 0.127 176.824 176.600 0.162 0.000 0.964 126 E CA -0.875 55.601 56.400 0.127 0.000 0.777 126 E CB 0.682 30.473 29.700 0.151 0.000 1.249 126 E HN -0.355 nan 8.360 nan 0.000 0.449 127 M N 1.153 120.818 119.600 0.108 0.000 2.287 127 M HA 0.024 4.495 4.480 -0.014 0.000 0.266 127 M C 1.523 177.887 176.300 0.108 0.000 1.079 127 M CA 1.914 57.280 55.300 0.110 0.000 1.146 127 M CB -0.333 32.315 32.600 0.079 0.000 1.374 127 M HN 0.791 nan 8.290 nan 0.000 0.435 128 T N 1.349 115.938 114.554 0.058 0.000 2.620 128 T HA -0.154 4.188 4.350 -0.014 0.000 0.267 128 T C -0.796 173.841 174.700 -0.105 0.000 1.044 128 T CA 2.159 64.225 62.100 -0.057 0.000 1.161 128 T CB -1.744 66.981 68.868 -0.238 0.000 0.862 128 T HN 0.295 nan 8.240 nan 0.000 0.438 129 P HA -0.044 nan 4.420 nan 0.000 0.215 129 P C 1.803 178.929 177.300 -0.292 0.000 1.157 129 P CA 1.241 64.210 63.100 -0.219 0.000 0.874 129 P CB -0.201 31.407 31.700 -0.152 0.000 0.790 130 S N -0.550 115.082 115.700 -0.113 0.000 2.400 130 S HA -0.160 4.302 4.470 -0.014 0.000 0.232 130 S C 1.771 176.353 174.600 -0.029 0.000 1.025 130 S CA 1.052 59.216 58.200 -0.060 0.000 0.993 130 S CB -1.162 62.077 63.200 0.065 0.000 0.808 130 S HN 0.071 nan 8.310 nan 0.000 0.478 131 L N 2.262 123.486 121.223 0.001 0.000 1.994 131 L HA 0.033 4.364 4.340 -0.014 0.000 0.208 131 L C 2.405 179.177 176.870 -0.164 0.000 1.071 131 L CA 2.026 56.844 54.840 -0.036 0.000 0.745 131 L CB -1.306 40.739 42.059 -0.024 0.000 0.892 131 L HN 0.215 nan 8.230 nan 0.000 0.431 132 A N -0.190 122.497 122.820 -0.223 0.000 1.917 132 A HA -0.313 3.998 4.320 -0.014 0.000 0.219 132 A C 2.561 179.961 177.584 -0.306 0.000 1.182 132 A CA 2.196 54.060 52.037 -0.287 0.000 0.633 132 A CB -0.782 17.970 19.000 -0.413 0.000 0.819 132 A HN 0.573 nan 8.150 nan 0.000 0.448 133 R N -1.024 119.274 120.500 -0.336 0.000 2.082 133 R HA -0.148 4.184 4.340 -0.014 0.000 0.234 133 R C 1.996 178.217 176.300 -0.131 0.000 1.136 133 R CA 1.779 57.729 56.100 -0.251 0.000 0.935 133 R CB -0.474 29.690 30.300 -0.226 0.000 0.842 133 R HN 0.387 nan 8.270 nan 0.000 0.430 134 L N 1.025 122.204 121.223 -0.073 0.000 2.013 134 L HA -0.231 4.100 4.340 -0.014 0.000 0.212 134 L C 2.359 179.213 176.870 -0.025 0.000 1.073 134 L CA 1.668 56.517 54.840 0.013 0.000 0.753 134 L CB -0.744 41.395 42.059 0.134 0.000 0.890 134 L HN 0.281 nan 8.230 nan 0.000 0.432 135 L N -1.470 119.658 121.223 -0.158 0.000 1.956 135 L HA -0.298 4.034 4.340 -0.014 0.000 0.216 135 L C 2.528 179.304 176.870 -0.157 0.000 1.073 135 L CA 1.553 56.232 54.840 -0.268 0.000 0.762 135 L CB -0.676 41.158 42.059 -0.375 0.000 0.889 135 L HN 0.256 nan 8.230 nan 0.000 0.433 136 L N -0.408 120.733 121.223 -0.137 0.000 2.079 136 L HA -0.193 4.139 4.340 -0.014 0.000 0.210 136 L C 2.613 179.448 176.870 -0.060 0.000 1.081 136 L CA 1.349 56.134 54.840 -0.090 0.000 0.752 136 L CB -0.993 41.019 42.059 -0.078 0.000 0.896 136 L HN 0.381 nan 8.230 nan 0.000 0.433 137 G N -0.375 108.394 108.800 -0.052 0.000 2.440 137 G HA2 -0.326 3.626 3.960 -0.014 0.000 0.218 137 G HA3 -0.326 3.626 3.960 -0.014 0.000 0.218 137 G C 1.613 176.509 174.900 -0.008 0.000 1.154 137 G CA 0.790 45.876 45.100 -0.023 0.000 0.767 137 G HN 0.177 nan 8.290 nan 0.000 0.552 138 K N 0.286 120.686 120.400 0.001 0.000 2.211 138 K HA 0.122 4.433 4.320 -0.014 0.000 0.204 138 K C 1.830 178.427 176.600 -0.005 0.000 1.047 138 K CA 0.968 57.266 56.287 0.018 0.000 0.935 138 K CB -0.629 31.898 32.500 0.045 0.000 0.728 138 K HN 0.528 nan 8.250 nan 0.000 0.452 139 G N -1.626 107.158 108.800 -0.026 0.000 2.550 139 G HA2 -0.463 3.488 3.960 -0.014 0.000 0.277 139 G HA3 -0.463 3.488 3.960 -0.014 0.000 0.277 139 G C 1.011 175.894 174.900 -0.028 0.000 1.190 139 G CA 1.436 46.520 45.100 -0.027 0.000 0.971 139 G HN 0.422 nan 8.290 nan 0.000 0.559 140 R N -0.128 120.361 120.500 -0.020 0.000 2.159 140 R HA 0.149 4.480 4.340 -0.014 0.000 0.237 140 R C 3.183 179.475 176.300 -0.013 0.000 1.131 140 R CA 2.965 59.054 56.100 -0.018 0.000 0.982 140 R CB -1.460 28.832 30.300 -0.013 0.000 0.868 140 R HN 2.234 nan 8.270 nan 0.000 0.453 141 S N -0.091 115.606 115.700 -0.005 0.000 2.547 141 S HA 0.064 4.526 4.470 -0.014 0.000 0.235 141 S C 0.865 175.472 174.600 0.011 0.000 0.980 141 S CA 0.425 58.629 58.200 0.006 0.000 0.941 141 S CB -0.471 62.738 63.200 0.016 0.000 0.763 141 S HN 0.473 nan 8.310 nan 0.000 0.532 142 L N 2.801 124.020 121.223 -0.007 0.000 2.433 142 L HA 0.462 4.794 4.340 -0.014 0.000 0.275 142 L C -0.698 176.155 176.870 -0.028 0.000 1.128 142 L CA -0.319 54.509 54.840 -0.019 0.000 0.875 142 L CB 0.036 42.047 42.059 -0.079 0.000 1.171 142 L HN 0.280 nan 8.230 nan 0.000 0.463 143 L N 6.685 127.907 121.223 -0.003 0.000 2.289 143 L HA 0.497 4.829 4.340 -0.014 0.000 0.285 143 L C -0.330 176.519 176.870 -0.034 0.000 1.049 143 L CA -0.244 54.591 54.840 -0.008 0.000 0.804 143 L CB 1.001 43.072 42.059 0.020 0.000 1.195 143 L HN 0.535 nan 8.230 nan 0.000 0.428 144 L N 3.583 124.776 121.223 -0.050 0.000 2.354 144 L HA 0.636 4.968 4.340 -0.014 0.000 0.264 144 L C -1.883 174.954 176.870 -0.056 0.000 1.008 144 L CA -1.870 52.924 54.840 -0.076 0.000 0.819 144 L CB 1.806 43.807 42.059 -0.097 0.000 1.339 144 L HN 0.489 nan 8.230 nan 0.000 0.420 145 P HA 0.415 nan 4.420 nan 0.000 0.272 145 P C -1.236 176.005 177.300 -0.099 0.000 1.240 145 P CA -0.398 62.646 63.100 -0.094 0.000 0.791 145 P CB 1.182 32.832 31.700 -0.083 0.000 0.978 146 A N 1.324 124.049 122.820 -0.158 0.000 2.386 146 A HA 0.616 4.928 4.320 -0.014 0.000 0.311 146 A C -0.682 176.796 177.584 -0.176 0.000 1.068 146 A CA -0.750 51.200 52.037 -0.145 0.000 0.743 146 A CB 1.304 20.113 19.000 -0.317 0.000 1.258 146 A HN 0.499 nan 8.150 nan 0.000 0.429 147 K N 1.704 122.071 120.400 -0.055 0.000 2.575 147 K HA 0.336 4.648 4.320 -0.014 0.000 0.236 147 K C -1.958 174.764 176.600 0.202 0.000 0.976 147 K CA -0.049 56.047 56.287 -0.319 0.000 0.985 147 K CB 1.160 33.120 32.500 -0.901 0.000 1.198 147 K HN 0.628 nan 8.250 nan 0.000 0.464 148 W N 2.991 124.362 121.300 0.119 0.000 2.666 148 W HA 0.356 5.011 4.660 -0.008 0.000 0.334 148 W C -0.273 176.645 176.519 0.665 0.000 1.051 148 W CA -1.067 56.470 57.345 0.320 0.000 1.224 148 W CB 0.864 30.284 29.460 -0.067 0.000 1.405 148 W HN 0.404 nan 8.180 nan 0.000 0.513 149 Y N 0.067 120.806 120.300 0.733 0.000 2.609 149 Y HA 0.826 5.367 4.550 -0.015 0.000 0.342 149 Y C -0.610 175.342 175.900 0.088 0.000 1.058 149 Y CA -1.544 56.798 58.100 0.403 0.000 1.055 149 Y CB 1.825 40.435 38.460 0.251 0.000 1.292 149 Y HN 0.391 nan 8.280 nan 0.000 0.476 150 S N 1.396 116.968 115.700 -0.212 0.000 2.567 150 S HA 0.653 5.115 4.470 -0.014 0.000 0.270 150 S C -1.646 172.862 174.600 -0.153 0.000 1.152 150 S CA -0.947 56.946 58.200 -0.512 0.000 0.835 150 S CB 1.071 63.650 63.200 -1.035 0.000 1.115 150 S HN 0.815 nan 8.310 nan 0.000 0.459 151 I N 1.879 122.333 120.570 -0.193 0.000 2.905 151 I HA 0.347 4.509 4.170 -0.014 0.000 0.297 151 I C -2.563 173.508 176.117 -0.076 0.000 1.358 151 I CA -1.720 59.470 61.300 -0.185 0.000 0.975 151 I CB 1.355 39.082 38.000 -0.455 0.000 1.857 151 I HN 0.424 nan 8.210 nan 0.000 0.612 152 P HA 0.172 nan 4.420 nan 0.000 0.282 152 P C -0.769 176.403 177.300 -0.213 0.000 1.249 152 P CA -0.391 62.653 63.100 -0.094 0.000 0.806 152 P CB 1.359 32.991 31.700 -0.113 0.000 0.984 153 Q N 0.682 120.253 119.800 -0.381 0.000 2.394 153 Q HA 0.340 4.671 4.340 -0.014 0.000 0.248 153 Q C -1.114 174.621 176.000 -0.442 0.000 0.992 153 Q CA 0.113 55.453 55.803 -0.771 0.000 0.888 153 Q CB 0.492 28.771 28.738 -0.766 0.000 1.257 153 Q HN 0.510 nan 8.270 nan 0.000 0.462 154 C N 2.352 121.256 119.300 -0.659 0.000 2.888 154 C HA 0.499 4.951 4.460 -0.014 0.000 0.308 154 C C -1.737 172.939 174.990 -0.523 0.000 1.213 154 C CA -0.739 58.037 59.018 -0.403 0.000 1.461 154 C CB 0.904 28.388 27.740 -0.426 0.000 1.934 154 C HN 0.947 nan 8.230 nan 0.000 0.474 155 W N 2.434 123.666 121.300 -0.114 0.000 2.463 155 W HA 0.625 5.277 4.660 -0.014 0.000 0.316 155 W C 0.031 176.604 176.519 0.089 0.000 1.004 155 W CA -0.417 56.838 57.345 -0.151 0.000 1.309 155 W CB 0.739 29.930 29.460 -0.449 0.000 1.288 155 W HN 0.355 nan 8.180 nan 0.000 0.423 156 R N 2.493 123.206 120.500 0.355 0.000 2.393 156 R HA 0.223 4.555 4.340 -0.014 0.000 0.315 156 R C -0.846 175.807 176.300 0.589 0.000 0.952 156 R CA -1.309 55.025 56.100 0.390 0.000 0.842 156 R CB 1.847 32.269 30.300 0.204 0.000 1.163 156 R HN 0.304 nan 8.270 nan 0.000 0.450 157 Y N 3.206 123.750 120.300 0.406 0.000 2.734 157 Y HA 0.050 4.591 4.550 -0.014 0.000 0.353 157 Y C 0.466 176.429 175.900 0.105 0.000 1.244 157 Y CA -0.020 58.195 58.100 0.192 0.000 1.950 157 Y CB -0.563 37.800 38.460 -0.160 0.000 2.028 157 Y HN 0.614 nan 8.280 nan 0.000 0.421 158 E N 0.792 121.082 120.200 0.149 0.000 3.362 158 E HA 0.653 4.995 4.350 -0.014 0.000 0.253 158 E C 0.005 176.584 176.600 -0.036 0.000 0.962 158 E CA -0.133 56.285 56.400 0.029 0.000 1.399 158 E CB 0.964 30.693 29.700 0.049 0.000 1.668 158 E HN 0.304 nan 8.360 nan 0.000 0.563 159 A N 0.252 123.057 122.820 -0.025 0.000 2.610 159 A HA 0.281 4.593 4.320 -0.014 0.000 0.286 159 A C 0.464 178.041 177.584 -0.012 0.000 1.306 159 A CA -0.132 51.883 52.037 -0.037 0.000 0.942 159 A CB -0.651 18.326 19.000 -0.038 0.000 1.112 159 A HN 0.616 nan 8.150 nan 0.000 0.527 160 I N -1.511 119.065 120.570 0.011 0.000 4.896 160 I HA -0.356 3.806 4.170 -0.014 0.000 0.038 160 I C 1.392 177.518 176.117 0.015 0.000 0.635 160 I CA 2.264 63.578 61.300 0.023 0.000 0.268 160 I CB -1.593 36.421 38.000 0.025 0.000 0.352 160 I HN 0.503 nan 8.210 nan 0.000 0.150 161 T N 0.370 114.931 114.554 0.012 0.000 2.882 161 T HA 0.581 4.923 4.350 -0.014 0.000 0.287 161 T C 0.835 175.545 174.700 0.015 0.000 1.014 161 T CA 0.419 62.529 62.100 0.017 0.000 1.049 161 T CB 0.661 69.539 68.868 0.017 0.000 1.001 161 T HN 0.606 nan 8.240 nan 0.000 0.525 162 R N 1.088 121.605 120.500 0.028 0.000 2.043 162 R HA 0.220 4.552 4.340 -0.014 0.000 0.221 162 R C 1.598 177.928 176.300 0.049 0.000 1.196 162 R CA 1.073 57.201 56.100 0.047 0.000 0.949 162 R CB -0.355 29.990 30.300 0.075 0.000 0.838 162 R HN 0.621 nan 8.270 nan 0.000 0.446 163 G N -0.790 108.047 108.800 0.061 0.000 4.294 163 G HA2 0.364 4.315 3.960 -0.014 0.000 0.301 163 G HA3 0.364 4.315 3.960 -0.014 0.000 0.301 163 G C -0.438 174.468 174.900 0.010 0.000 1.321 163 G CA -0.127 45.000 45.100 0.045 0.000 1.190 163 G HN 0.477 nan 8.290 nan 0.000 0.600 164 R N 1.006 121.503 120.500 -0.004 0.000 2.655 164 R HA 0.495 4.826 4.340 -0.014 0.000 0.261 164 R C 0.340 176.624 176.300 -0.026 0.000 1.624 164 R CA -0.735 55.338 56.100 -0.044 0.000 1.655 164 R CB -0.409 29.864 30.300 -0.044 0.000 1.356 164 R HN 0.462 nan 8.270 nan 0.000 0.684 165 R N 0.076 120.568 120.500 -0.013 0.000 2.707 165 R HA 0.276 4.607 4.340 -0.014 0.000 0.270 165 R C 0.784 177.096 176.300 0.020 0.000 1.083 165 R CA -0.475 55.633 56.100 0.013 0.000 1.182 165 R CB 0.831 31.143 30.300 0.019 0.000 1.084 165 R HN 0.465 nan 8.270 nan 0.000 0.528 166 R N 0.707 121.245 120.500 0.064 0.000 2.328 166 R HA -0.081 4.251 4.340 -0.014 0.000 0.207 166 R C 0.463 176.737 176.300 -0.045 0.000 1.056 166 R CA 0.908 57.095 56.100 0.145 0.000 1.016 166 R CB 0.028 30.518 30.300 0.317 0.000 0.872 166 R HN 0.510 nan 8.270 nan 0.000 0.471 167 E N 0.712 120.766 120.200 -0.243 0.000 2.356 167 E HA 0.111 4.453 4.350 -0.014 0.000 0.275 167 E C -1.658 174.795 176.600 -0.246 0.000 0.904 167 E CA -0.725 55.269 56.400 -0.676 0.000 0.757 167 E CB 1.712 30.555 29.700 -1.429 0.000 1.232 167 E HN 0.213 nan 8.360 nan 0.000 0.442 168 H N 1.566 120.368 119.070 -0.447 0.000 3.064 168 H HA 0.325 4.872 4.556 -0.014 0.000 0.352 168 H C -1.778 173.437 175.328 -0.189 0.000 1.260 168 H CA -0.609 55.355 56.048 -0.139 0.000 1.160 168 H CB 0.024 29.771 29.762 -0.026 0.000 1.879 168 H HN 0.440 nan 8.280 nan 0.000 0.544 169 Y N 0.967 121.247 120.300 -0.035 0.000 2.301 169 Y HA 0.315 4.857 4.550 -0.014 0.000 0.325 169 Y C 0.759 176.628 175.900 -0.052 0.000 1.203 169 Y CA -0.032 58.030 58.100 -0.064 0.000 1.255 169 Y CB 1.443 40.007 38.460 0.174 0.000 1.232 169 Y HN 0.608 nan 8.280 nan 0.000 0.501 170 Q N 2.990 122.784 119.800 -0.010 0.000 2.269 170 Q HA 0.167 4.498 4.340 -0.014 0.000 0.263 170 Q C -1.919 174.072 176.000 -0.016 0.000 0.983 170 Q CA -0.815 55.012 55.803 0.040 0.000 0.777 170 Q CB 0.887 29.607 28.738 -0.031 0.000 1.273 170 Q HN 0.760 nan 8.270 nan 0.000 0.440 171 W N 5.277 126.371 121.300 -0.343 0.000 2.485 171 W HA 0.331 4.984 4.660 -0.011 0.000 0.315 171 W C -1.240 175.103 176.519 -0.294 0.000 1.304 171 W CA -0.303 56.700 57.345 -0.570 0.000 1.345 171 W CB 0.303 28.916 29.460 -1.413 0.000 1.368 171 W HN 0.545 nan 8.180 nan 0.000 0.497 172 N N 6.179 124.667 118.700 -0.354 0.000 2.425 172 N HA 0.328 5.060 4.740 -0.014 0.000 0.268 172 N C -0.348 174.777 175.510 -0.642 0.000 0.991 172 N CA -0.298 52.478 53.050 -0.458 0.000 0.931 172 N CB 1.023 39.432 38.487 -0.129 0.000 1.130 172 N HN 0.133 nan 8.380 nan 0.000 0.493 173 M N 1.570 120.490 119.600 -1.133 0.000 2.227 173 M HA 0.409 4.881 4.480 -0.014 0.000 0.335 173 M C -1.079 174.993 176.300 -0.381 0.000 1.053 173 M CA -0.548 54.210 55.300 -0.904 0.000 0.973 173 M CB 1.263 32.870 32.600 -1.655 0.000 1.623 173 M HN 0.399 nan 8.290 nan 0.000 0.434 174 D N 2.870 123.368 120.400 0.164 0.000 2.964 174 D HA 0.575 5.207 4.640 -0.014 0.000 0.234 174 D C -0.843 175.605 176.300 0.248 0.000 1.223 174 D CA -0.265 53.857 54.000 0.204 0.000 0.889 174 D CB 2.225 43.124 40.800 0.166 0.000 1.609 174 D HN 0.424 nan 8.370 nan 0.000 0.523 175 I N 1.771 122.420 120.570 0.132 0.000 2.354 175 I HA 0.446 4.608 4.170 -0.014 0.000 0.292 175 I C -0.645 175.398 176.117 -0.123 0.000 0.989 175 I CA -0.926 60.367 61.300 -0.012 0.000 1.188 175 I CB 1.508 39.521 38.000 0.022 0.000 1.342 175 I HN 0.029 nan 8.210 nan 0.000 0.457 176 V N 4.969 124.761 119.914 -0.203 0.000 2.487 176 V HA 0.667 4.779 4.120 -0.014 0.000 0.298 176 V C 0.661 176.628 176.094 -0.211 0.000 1.028 176 V CA -0.228 61.916 62.300 -0.259 0.000 0.860 176 V CB 1.235 32.832 31.823 -0.377 0.000 0.991 176 V HN 1.055 nan 8.190 nan 0.000 0.427 177 G N 3.938 112.631 108.800 -0.179 0.000 2.134 177 G HA2 -0.142 3.810 3.960 -0.014 0.000 0.209 177 G HA3 -0.142 3.810 3.960 -0.014 0.000 0.209 177 G C -0.317 174.525 174.900 -0.097 0.000 0.993 177 G CA -0.005 45.015 45.100 -0.134 0.000 0.669 177 G HN 0.786 nan 8.290 nan 0.000 0.519 178 V N 0.584 120.443 119.914 -0.091 0.000 2.444 178 V HA 0.394 4.506 4.120 -0.014 0.000 0.294 178 V C 1.236 177.302 176.094 -0.046 0.000 1.022 178 V CA -0.280 61.986 62.300 -0.056 0.000 0.850 178 V CB 1.598 33.397 31.823 -0.040 0.000 0.992 178 V HN 0.310 nan 8.190 nan 0.000 0.426 179 K N 1.959 122.341 120.400 -0.031 0.000 2.021 179 K HA 0.007 4.318 4.320 -0.014 0.000 0.205 179 K C 1.201 177.801 176.600 0.000 0.000 1.047 179 K CA 1.131 57.406 56.287 -0.019 0.000 0.943 179 K CB -0.005 32.486 32.500 -0.015 0.000 0.725 179 K HN 0.772 nan 8.250 nan 0.000 0.439 180 S N 0.523 116.230 115.700 0.010 0.000 2.617 180 S HA 0.032 4.494 4.470 -0.014 0.000 0.259 180 S C 1.483 176.110 174.600 0.046 0.000 1.301 180 S CA -0.424 57.794 58.200 0.030 0.000 0.984 180 S CB 1.183 64.402 63.200 0.032 0.000 0.954 180 S HN 0.102 nan 8.310 nan 0.000 0.572 181 V N -1.176 118.780 119.914 0.069 0.000 3.141 181 V HA -0.069 4.043 4.120 -0.014 0.000 0.265 181 V C 2.031 178.193 176.094 0.113 0.000 1.126 181 V CA 1.412 63.769 62.300 0.094 0.000 1.141 181 V CB -1.892 30.017 31.823 0.144 0.000 0.743 181 V HN 0.823 nan 8.190 nan 0.000 0.492 182 S N 1.750 117.502 115.700 0.087 0.000 2.399 182 S HA -0.317 4.145 4.470 -0.014 0.000 0.235 182 S C 2.238 176.886 174.600 0.080 0.000 1.063 182 S CA 2.178 60.423 58.200 0.075 0.000 1.070 182 S CB -0.826 62.404 63.200 0.049 0.000 0.904 182 S HN 1.017 nan 8.310 nan 0.000 0.456 183 A N 1.726 124.588 122.820 0.072 0.000 1.834 183 A HA -0.181 4.131 4.320 -0.014 0.000 0.216 183 A C 2.040 179.690 177.584 0.110 0.000 1.203 183 A CA 1.889 53.976 52.037 0.084 0.000 0.621 183 A CB -1.047 17.988 19.000 0.058 0.000 0.841 183 A HN 0.432 nan 8.150 nan 0.000 0.446 184 E N -0.353 119.901 120.200 0.090 0.000 2.108 184 E HA -0.206 4.136 4.350 -0.014 0.000 0.203 184 E C 1.914 178.540 176.600 0.044 0.000 1.022 184 E CA 1.639 58.059 56.400 0.035 0.000 0.823 184 E CB -0.714 28.928 29.700 -0.096 0.000 0.744 184 E HN 0.327 nan 8.360 nan 0.000 0.456 185 V N 0.684 120.708 119.914 0.182 0.000 2.231 185 V HA -0.356 3.756 4.120 -0.014 0.000 0.248 185 V C 2.352 178.468 176.094 0.037 0.000 1.054 185 V CA 2.310 64.719 62.300 0.182 0.000 1.015 185 V CB -0.632 31.255 31.823 0.106 0.000 0.638 185 V HN 0.296 nan 8.190 nan 0.000 0.444 186 E N 0.153 120.388 120.200 0.059 0.000 2.048 186 E HA -0.272 4.069 4.350 -0.014 0.000 0.202 186 E C 2.039 178.701 176.600 0.104 0.000 1.021 186 E CA 2.151 58.622 56.400 0.119 0.000 0.825 186 E CB -0.528 29.296 29.700 0.208 0.000 0.756 186 E HN 0.518 nan 8.360 nan 0.000 0.454 187 L N -0.520 120.782 121.223 0.132 0.000 2.013 187 L HA -0.227 4.105 4.340 -0.014 0.000 0.212 187 L C 2.545 179.422 176.870 0.012 0.000 1.073 187 L CA 1.339 56.286 54.840 0.178 0.000 0.753 187 L CB -0.442 41.812 42.059 0.325 0.000 0.890 187 L HN 0.146 nan 8.230 nan 0.000 0.432 188 V N -1.295 118.506 119.914 -0.188 0.000 2.358 188 V HA -0.309 3.803 4.120 -0.014 0.000 0.246 188 V C 2.531 178.533 176.094 -0.153 0.000 1.047 188 V CA 1.756 63.861 62.300 -0.325 0.000 1.035 188 V CB -0.457 31.164 31.823 -0.337 0.000 0.658 188 V HN 0.582 nan 8.190 nan 0.000 0.452 189 C N 0.331 119.587 119.300 -0.072 0.000 2.411 189 C HA -0.115 4.337 4.460 -0.014 0.000 0.279 189 C C 3.062 178.058 174.990 0.010 0.000 1.288 189 C CA 0.720 59.770 59.018 0.053 0.000 1.764 189 C CB -1.446 26.151 27.740 -0.239 0.000 1.974 189 C HN 0.634 nan 8.230 nan 0.000 0.498 190 A N 0.697 123.292 122.820 -0.375 0.000 1.902 190 A HA 0.059 4.371 4.320 -0.014 0.000 0.217 190 A C 2.396 179.909 177.584 -0.118 0.000 1.181 190 A CA 2.089 53.674 52.037 -0.753 0.000 0.623 190 A CB -0.932 17.581 19.000 -0.813 0.000 0.818 190 A HN 0.566 nan 8.150 nan 0.000 0.443 191 A N -0.729 122.014 122.820 -0.128 0.000 1.883 191 A HA -0.206 4.106 4.320 -0.014 0.000 0.217 191 A C 2.350 179.944 177.584 0.015 0.000 1.186 191 A CA 1.779 53.808 52.037 -0.013 0.000 0.624 191 A CB -1.416 17.424 19.000 -0.266 0.000 0.822 191 A HN 0.615 nan 8.150 nan 0.000 0.444 192 C N -2.158 117.021 119.300 -0.203 0.000 2.388 192 C HA -0.189 4.263 4.460 -0.014 0.000 0.277 192 C C 2.431 177.135 174.990 -0.477 0.000 1.210 192 C CA 0.755 59.341 59.018 -0.719 0.000 1.743 192 C CB -1.726 25.263 27.740 -1.252 0.000 2.047 192 C HN 0.805 nan 8.230 nan 0.000 0.458 193 W N 1.658 122.839 121.300 -0.199 0.000 2.301 193 W HA -0.285 4.367 4.660 -0.014 0.000 0.325 193 W C 2.512 179.026 176.519 -0.008 0.000 1.250 193 W CA 1.881 59.266 57.345 0.067 0.000 1.261 193 W CB -0.574 29.128 29.460 0.403 0.000 1.157 193 W HN 0.405 nan 8.180 nan 0.000 0.473 194 A N 0.877 123.684 122.820 -0.022 0.000 1.869 194 A HA -0.325 3.987 4.320 -0.014 0.000 0.218 194 A C 1.999 179.447 177.584 -0.226 0.000 1.203 194 A CA 2.804 54.720 52.037 -0.202 0.000 0.638 194 A CB -1.285 17.674 19.000 -0.069 0.000 0.831 194 A HN 0.467 nan 8.150 nan 0.000 0.450 195 M N -1.795 117.765 119.600 -0.066 0.000 2.065 195 M HA -0.192 4.279 4.480 -0.014 0.000 0.259 195 M C 2.361 178.661 176.300 0.000 0.000 1.069 195 M CA 2.175 57.505 55.300 0.050 0.000 1.110 195 M CB -0.340 32.411 32.600 0.252 0.000 1.328 195 M HN 0.467 nan 8.290 nan 0.000 0.405 196 R N 0.620 121.084 120.500 -0.059 0.000 2.103 196 R HA -0.115 4.217 4.340 -0.014 0.000 0.242 196 R C 1.891 178.069 176.300 -0.203 0.000 1.142 196 R CA 2.427 58.519 56.100 -0.014 0.000 0.960 196 R CB -0.973 29.328 30.300 0.002 0.000 0.858 196 R HN 0.266 nan 8.270 nan 0.000 0.439 197 S N 0.417 115.834 115.700 -0.471 0.000 2.370 197 S HA -0.071 4.391 4.470 -0.014 0.000 0.226 197 S C 1.711 176.138 174.600 -0.287 0.000 1.033 197 S CA 1.459 59.337 58.200 -0.538 0.000 1.011 197 S CB -0.256 62.502 63.200 -0.737 0.000 0.852 197 S HN 0.337 nan 8.310 nan 0.000 0.457 198 L N 0.525 121.614 121.223 -0.225 0.000 2.465 198 L HA 0.091 4.423 4.340 -0.014 0.000 0.224 198 L C 1.642 178.501 176.870 -0.019 0.000 1.145 198 L CA 0.606 55.373 54.840 -0.122 0.000 0.834 198 L CB -0.529 41.465 42.059 -0.109 0.000 0.944 198 L HN 0.550 nan 8.230 nan 0.000 0.451 199 G N -0.367 108.419 108.800 -0.023 0.000 2.135 199 G HA2 -0.186 3.766 3.960 -0.014 0.000 0.183 199 G HA3 -0.186 3.766 3.960 -0.014 0.000 0.183 199 G C -0.011 174.914 174.900 0.042 0.000 1.004 199 G CA -0.446 44.661 45.100 0.012 0.000 0.677 199 G HN 0.149 nan 8.290 nan 0.000 0.512 200 L N 0.435 121.706 121.223 0.080 0.000 2.416 200 L HA 0.877 5.209 4.340 -0.014 0.000 0.263 200 L C 0.971 177.932 176.870 0.151 0.000 1.065 200 L CA -0.249 54.654 54.840 0.104 0.000 0.798 200 L CB 1.754 43.901 42.059 0.146 0.000 1.267 200 L HN 0.487 nan 8.230 nan 0.000 0.467 201 S N -2.103 113.592 115.700 -0.007 0.000 2.685 201 S HA 0.231 4.693 4.470 -0.014 0.000 0.282 201 S C 0.581 174.697 174.600 -0.807 0.000 1.159 201 S CA 0.008 58.107 58.200 -0.169 0.000 0.833 201 S CB 1.363 64.498 63.200 -0.108 0.000 1.151 201 S HN 0.675 nan 8.310 nan 0.000 0.485 202 S N 0.985 115.975 115.700 -1.183 0.000 2.400 202 S HA -0.134 4.327 4.470 -0.014 0.000 0.232 202 S C 1.398 175.605 174.600 -0.655 0.000 1.025 202 S CA 1.269 58.649 58.200 -1.366 0.000 0.993 202 S CB -0.709 61.872 63.200 -1.031 0.000 0.808 202 S HN 0.682 nan 8.310 nan 0.000 0.478 203 K N 1.463 121.618 120.400 -0.409 0.000 2.288 203 K HA 0.094 4.406 4.320 -0.014 0.000 0.201 203 K C 1.491 177.954 176.600 -0.227 0.000 1.048 203 K CA 1.218 57.357 56.287 -0.246 0.000 0.956 203 K CB -0.157 32.254 32.500 -0.149 0.000 0.746 203 K HN 0.523 nan 8.250 nan 0.000 0.461 204 D N -0.920 119.323 120.400 -0.261 0.000 2.262 204 D HA 0.008 4.640 4.640 -0.014 0.000 0.212 204 D C -0.042 176.110 176.300 -0.247 0.000 0.964 204 D CA 0.502 54.391 54.000 -0.184 0.000 0.875 204 D CB 0.471 41.202 40.800 -0.114 0.000 0.996 204 D HN -0.154 nan 8.370 nan 0.000 0.497 205 V N 0.012 119.706 119.914 -0.367 0.000 2.709 205 V HA 0.672 4.784 4.120 -0.014 0.000 0.308 205 V C 0.102 175.887 176.094 -0.515 0.000 1.062 205 V CA -0.747 61.319 62.300 -0.390 0.000 0.901 205 V CB 2.192 33.938 31.823 -0.128 0.000 1.003 205 V HN 0.158 nan 8.190 nan 0.000 0.425 206 G N 3.485 111.836 108.800 -0.748 0.000 2.630 206 G HA2 0.815 4.767 3.960 -0.014 0.000 0.296 206 G HA3 0.815 4.767 3.960 -0.014 0.000 0.296 206 G C -1.449 173.501 174.900 0.083 0.000 1.285 206 G CA -0.632 44.238 45.100 -0.384 0.000 0.958 206 G HN 0.581 nan 8.290 nan 0.000 0.479 207 I N 0.913 121.705 120.570 0.369 0.000 2.439 207 I HA 0.267 4.428 4.170 -0.014 0.000 0.283 207 I C -0.233 176.127 176.117 0.406 0.000 1.023 207 I CA -0.608 60.931 61.300 0.397 0.000 1.100 207 I CB 2.038 40.202 38.000 0.274 0.000 1.238 207 I HN 0.236 nan 8.210 nan 0.000 0.445 208 K N 5.024 125.632 120.400 0.347 0.000 2.218 208 K HA 0.679 4.990 4.320 -0.014 0.000 0.276 208 K C -0.859 175.860 176.600 0.198 0.000 1.022 208 K CA -0.536 55.864 56.287 0.189 0.000 0.946 208 K CB 1.986 34.451 32.500 -0.058 0.000 1.000 208 K HN 0.262 nan 8.250 nan 0.000 0.468 209 V N 2.100 122.148 119.914 0.222 0.000 2.841 209 V HA 0.470 4.582 4.120 -0.014 0.000 0.310 209 V C -0.522 175.708 176.094 0.226 0.000 1.090 209 V CA -0.953 61.492 62.300 0.242 0.000 0.930 209 V CB 2.009 34.031 31.823 0.331 0.000 1.014 209 V HN 0.855 nan 8.190 nan 0.000 0.425 210 N N 0.850 119.653 118.700 0.173 0.000 3.116 210 N HA 0.429 5.161 4.740 -0.014 0.000 0.244 210 N C -1.774 173.838 175.510 0.170 0.000 1.485 210 N CA -0.329 52.850 53.050 0.215 0.000 0.884 210 N CB 2.431 40.939 38.487 0.034 0.000 1.415 210 N HN 0.653 nan 8.380 nan 0.000 0.524 211 S N 0.127 115.951 115.700 0.207 0.000 2.561 211 S HA 0.447 4.909 4.470 -0.014 0.000 0.303 211 S C 0.711 175.410 174.600 0.164 0.000 1.110 211 S CA -0.478 57.819 58.200 0.161 0.000 1.034 211 S CB 0.871 64.176 63.200 0.176 0.000 1.010 211 S HN 0.523 nan 8.310 nan 0.000 0.482 212 R N 2.693 123.292 120.500 0.165 0.000 2.237 212 R HA -0.014 4.318 4.340 -0.014 0.000 0.219 212 R C 1.610 178.047 176.300 0.229 0.000 1.080 212 R CA 0.962 57.198 56.100 0.227 0.000 0.995 212 R CB -0.021 30.453 30.300 0.290 0.000 0.875 212 R HN 0.607 nan 8.270 nan 0.000 0.462 213 K N 0.135 120.642 120.400 0.179 0.000 2.057 213 K HA -0.106 4.205 4.320 -0.014 0.000 0.207 213 K C 1.996 178.678 176.600 0.136 0.000 1.049 213 K CA 1.228 57.605 56.287 0.149 0.000 0.931 213 K CB -0.160 32.451 32.500 0.185 0.000 0.714 213 K HN -0.042 nan 8.250 nan 0.000 0.440 214 V N 2.006 121.997 119.914 0.127 0.000 2.250 214 V HA -0.301 3.811 4.120 -0.014 0.000 0.253 214 V C 2.209 178.335 176.094 0.053 0.000 1.065 214 V CA 1.716 64.045 62.300 0.049 0.000 1.039 214 V CB -0.452 31.419 31.823 0.081 0.000 0.647 214 V HN 0.353 nan 8.190 nan 0.000 0.446 215 L N -0.190 121.098 121.223 0.109 0.000 1.988 215 L HA -0.182 4.150 4.340 -0.014 0.000 0.207 215 L C 2.479 179.379 176.870 0.050 0.000 1.071 215 L CA 2.378 57.298 54.840 0.134 0.000 0.744 215 L CB -1.540 40.669 42.059 0.251 0.000 0.893 215 L HN 0.487 nan 8.230 nan 0.000 0.433 216 Q N -1.021 118.742 119.800 -0.063 0.000 2.197 216 Q HA -0.255 4.077 4.340 -0.014 0.000 0.211 216 Q C 1.806 177.650 176.000 -0.260 0.000 0.993 216 Q CA 2.816 58.311 55.803 -0.514 0.000 0.883 216 Q CB 0.042 28.489 28.738 -0.485 0.000 0.916 216 Q HN 0.567 nan 8.270 nan 0.000 0.418 217 T N 0.025 114.535 114.554 -0.073 0.000 2.614 217 T HA -0.135 4.207 4.350 -0.014 0.000 0.263 217 T C 1.874 176.561 174.700 -0.021 0.000 1.055 217 T CA 1.621 63.718 62.100 -0.006 0.000 1.162 217 T CB -0.456 68.458 68.868 0.077 0.000 0.863 217 T HN 0.150 nan 8.240 nan 0.000 0.414 218 V N 1.383 121.292 119.914 -0.008 0.000 2.278 218 V HA -0.206 3.905 4.120 -0.014 0.000 0.251 218 V C 2.655 178.752 176.094 0.004 0.000 1.062 218 V CA 1.653 63.956 62.300 0.005 0.000 1.038 218 V CB -0.905 30.932 31.823 0.023 0.000 0.646 218 V HN 0.303 nan 8.190 nan 0.000 0.447 219 V N -0.416 119.498 119.914 -0.000 0.000 2.237 219 V HA -0.315 3.797 4.120 -0.014 0.000 0.245 219 V C 2.462 178.545 176.094 -0.019 0.000 1.046 219 V CA 2.398 64.704 62.300 0.010 0.000 1.007 219 V CB -0.662 31.186 31.823 0.042 0.000 0.638 219 V HN 0.639 nan 8.190 nan 0.000 0.445 220 E N -0.581 119.578 120.200 -0.068 0.000 2.187 220 E HA -0.318 4.024 4.350 -0.014 0.000 0.199 220 E C 2.286 178.872 176.600 -0.023 0.000 1.004 220 E CA 1.671 58.038 56.400 -0.056 0.000 0.813 220 E CB -0.048 29.601 29.700 -0.084 0.000 0.736 220 E HN 0.651 nan 8.360 nan 0.000 0.468 221 Q N -0.266 119.526 119.800 -0.014 0.000 2.123 221 Q HA 0.010 4.342 4.340 -0.014 0.000 0.199 221 Q C 0.612 176.613 176.000 0.002 0.000 0.966 221 Q CA 0.675 56.477 55.803 -0.002 0.000 0.845 221 Q CB 0.109 28.849 28.738 0.004 0.000 0.907 221 Q HN 0.185 nan 8.270 nan 0.000 0.439 222 A N -0.040 122.784 122.820 0.005 0.000 2.313 222 A HA 0.446 4.758 4.320 -0.014 0.000 0.261 222 A C 0.628 178.217 177.584 0.008 0.000 1.090 222 A CA 0.154 52.197 52.037 0.009 0.000 0.807 222 A CB 0.366 19.375 19.000 0.015 0.000 1.055 222 A HN 0.341 nan 8.150 nan 0.000 0.492 223 G N 0.173 108.979 108.800 0.010 0.000 3.316 223 G HA2 0.459 4.411 3.960 -0.014 0.000 0.255 223 G HA3 0.459 4.411 3.960 -0.014 0.000 0.255 223 G C -0.238 174.670 174.900 0.015 0.000 0.880 223 G CA 0.278 45.384 45.100 0.010 0.000 1.956 223 G HN 1.241 nan 8.290 nan 0.000 0.634 224 V N -0.318 119.607 119.914 0.018 0.000 2.409 224 V HA 0.472 4.584 4.120 -0.014 0.000 0.290 224 V C 0.497 176.607 176.094 0.026 0.000 1.017 224 V CA -1.011 61.305 62.300 0.027 0.000 0.841 224 V CB 0.163 32.010 31.823 0.041 0.000 1.003 224 V HN 0.522 nan 8.190 nan 0.000 0.426 225 T N 1.317 115.885 114.554 0.024 0.000 2.704 225 T HA -0.144 4.198 4.350 -0.014 0.000 0.251 225 T C 1.561 176.289 174.700 0.046 0.000 1.019 225 T CA 0.714 62.830 62.100 0.027 0.000 1.146 225 T CB 0.022 68.907 68.868 0.028 0.000 1.043 225 T HN 1.600 nan 8.240 nan 0.000 0.466 226 S N 1.156 116.879 115.700 0.039 0.000 2.419 226 S HA -0.252 4.210 4.470 -0.014 0.000 0.235 226 S C 1.512 176.195 174.600 0.138 0.000 1.019 226 S CA 1.362 59.609 58.200 0.079 0.000 0.982 226 S CB -0.746 62.479 63.200 0.042 0.000 0.789 226 S HN 0.928 nan 8.310 nan 0.000 0.490 227 D N 3.018 123.468 120.400 0.085 0.000 2.968 227 D HA -0.299 4.333 4.640 -0.014 0.000 0.215 227 D C 1.895 178.246 176.300 0.084 0.000 1.086 227 D CA 3.390 57.433 54.000 0.070 0.000 0.891 227 D CB -0.930 39.898 40.800 0.046 0.000 1.019 227 D HN 0.673 nan 8.370 nan 0.000 0.494 228 K N -1.068 119.388 120.400 0.093 0.000 2.444 228 K HA 0.102 4.413 4.320 -0.014 0.000 0.193 228 K C 1.816 178.488 176.600 0.119 0.000 1.024 228 K CA 0.842 57.177 56.287 0.081 0.000 1.077 228 K CB -0.948 31.591 32.500 0.064 0.000 0.833 228 K HN 0.398 nan 8.250 nan 0.000 0.517 229 F N 1.597 121.554 119.950 0.011 0.000 2.060 229 F HA 0.065 4.586 4.527 -0.010 0.000 0.295 229 F C 2.529 178.338 175.800 0.015 0.000 1.120 229 F CA 1.211 59.221 58.000 0.016 0.000 1.205 229 F CB -0.638 38.376 39.000 0.024 0.000 0.986 229 F HN 0.212 nan 8.300 nan 0.000 0.470 230 A N 0.946 123.558 122.820 -0.346 0.000 1.892 230 A HA -0.169 4.142 4.320 -0.014 0.000 0.218 230 A C -0.035 177.374 177.584 -0.291 0.000 1.188 230 A CA 2.161 53.937 52.037 -0.435 0.000 0.631 230 A CB -2.308 16.586 19.000 -0.178 0.000 0.822 230 A HN 0.397 nan 8.150 nan 0.000 0.447 231 P HA -0.133 nan 4.420 nan 0.000 0.216 231 P C 1.615 178.850 177.300 -0.110 0.000 1.153 231 P CA 1.572 64.610 63.100 -0.103 0.000 0.858 231 P CB -0.198 31.473 31.700 -0.048 0.000 0.789 232 V N -0.856 118.991 119.914 -0.112 0.000 2.407 232 V HA -0.275 3.836 4.120 -0.014 0.000 0.248 232 V C 2.539 178.555 176.094 -0.130 0.000 1.055 232 V CA 1.904 64.159 62.300 -0.076 0.000 1.049 232 V CB -1.596 30.235 31.823 0.013 0.000 0.662 232 V HN 0.203 nan 8.190 nan 0.000 0.455 233 C N -0.792 118.344 119.300 -0.274 0.000 2.422 233 C HA -0.097 4.355 4.460 -0.014 0.000 0.279 233 C C 2.792 177.690 174.990 -0.153 0.000 1.305 233 C CA 0.734 59.606 59.018 -0.243 0.000 1.757 233 C CB -0.834 26.676 27.740 -0.385 0.000 1.962 233 C HN 0.440 nan 8.230 nan 0.000 0.499 234 V N 0.803 120.628 119.914 -0.149 0.000 2.307 234 V HA -0.195 3.917 4.120 -0.014 0.000 0.245 234 V C 2.186 178.234 176.094 -0.077 0.000 1.045 234 V CA 2.000 64.237 62.300 -0.105 0.000 1.024 234 V CB -0.402 31.362 31.823 -0.097 0.000 0.651 234 V HN 0.513 nan 8.190 nan 0.000 0.449 235 I N -0.522 120.007 120.570 -0.069 0.000 2.113 235 I HA -0.219 3.943 4.170 -0.014 0.000 0.238 235 I C 2.365 178.455 176.117 -0.045 0.000 1.070 235 I CA 1.489 62.760 61.300 -0.048 0.000 1.332 235 I CB -0.521 37.457 38.000 -0.036 0.000 1.044 235 I HN 0.128 nan 8.210 nan 0.000 0.402 236 V N 0.949 120.836 119.914 -0.046 0.000 2.568 236 V HA -0.328 3.784 4.120 -0.014 0.000 0.253 236 V C 2.053 178.121 176.094 -0.044 0.000 1.072 236 V CA 2.246 64.525 62.300 -0.035 0.000 1.084 236 V CB -0.827 30.983 31.823 -0.023 0.000 0.676 236 V HN 0.500 nan 8.190 nan 0.000 0.469 237 D N 0.749 121.117 120.400 -0.055 0.000 2.218 237 D HA -0.150 4.482 4.640 -0.014 0.000 0.204 237 D C 2.104 178.372 176.300 -0.053 0.000 0.976 237 D CA 1.515 55.480 54.000 -0.058 0.000 0.853 237 D CB -0.074 40.688 40.800 -0.062 0.000 0.939 237 D HN 0.451 nan 8.370 nan 0.000 0.481 238 K N 0.160 120.532 120.400 -0.047 0.000 2.504 238 K HA 0.030 4.341 4.320 -0.014 0.000 0.195 238 K C 1.814 178.390 176.600 -0.040 0.000 1.036 238 K CA 0.751 57.013 56.287 -0.042 0.000 0.984 238 K CB -0.704 31.773 32.500 -0.037 0.000 0.788 238 K HN 0.219 nan 8.250 nan 0.000 0.488 239 M N 0.587 120.162 119.600 -0.042 0.000 2.108 239 M HA -0.172 4.299 4.480 -0.014 0.000 0.261 239 M C 2.716 178.989 176.300 -0.045 0.000 1.066 239 M CA 2.284 57.560 55.300 -0.040 0.000 1.107 239 M CB -0.998 31.578 32.600 -0.040 0.000 1.356 239 M HN 0.707 nan 8.290 nan 0.000 0.406 240 E N 1.040 121.207 120.200 -0.055 0.000 2.023 240 E HA -0.232 4.109 4.350 -0.014 0.000 0.196 240 E C 2.234 178.806 176.600 -0.046 0.000 1.003 240 E CA 2.712 59.077 56.400 -0.058 0.000 0.809 240 E CB -1.245 28.413 29.700 -0.070 0.000 0.755 240 E HN 0.658 nan 8.360 nan 0.000 0.449 241 K N -0.391 119.984 120.400 -0.042 0.000 2.147 241 K HA 0.470 4.782 4.320 -0.014 0.000 0.205 241 K C 1.323 177.904 176.600 -0.031 0.000 1.049 241 K CA 1.902 58.168 56.287 -0.035 0.000 0.936 241 K CB -1.015 31.465 32.500 -0.034 0.000 0.722 241 K HN 1.523 nan 8.250 nan 0.000 0.446 242 I N -0.938 119.613 120.570 -0.031 0.000 3.191 242 I HA 0.686 4.848 4.170 -0.014 0.000 0.313 242 I C -2.984 173.118 176.117 -0.026 0.000 1.193 242 I CA -2.665 58.618 61.300 -0.027 0.000 0.968 242 I CB 2.118 40.103 38.000 -0.025 0.000 1.262 242 I HN 0.049 nan 8.210 nan 0.000 0.456 243 P HA 0.448 nan 4.420 nan 0.000 0.276 243 P C -0.176 177.113 177.300 -0.018 0.000 1.244 243 P CA -0.149 62.939 63.100 -0.020 0.000 0.801 243 P CB 0.906 32.595 31.700 -0.018 0.000 1.006 244 R N 0.698 121.188 120.500 -0.017 0.000 2.096 244 R HA -0.147 4.185 4.340 -0.014 0.000 0.235 244 R C 1.931 178.224 176.300 -0.012 0.000 1.127 244 R CA 1.604 57.695 56.100 -0.015 0.000 0.968 244 R CB -0.998 29.294 30.300 -0.013 0.000 0.861 244 R HN 0.460 nan 8.270 nan 0.000 0.440 245 E N 0.511 120.704 120.200 -0.011 0.000 2.150 245 E HA -0.163 4.179 4.350 -0.014 0.000 0.193 245 E C 1.700 178.295 176.600 -0.010 0.000 0.985 245 E CA 1.107 57.501 56.400 -0.009 0.000 0.814 245 E CB -0.012 29.683 29.700 -0.008 0.000 0.752 245 E HN 0.452 nan 8.360 nan 0.000 0.466 246 E N -0.354 119.839 120.200 -0.012 0.000 2.158 246 E HA -0.087 4.255 4.350 -0.014 0.000 0.191 246 E C 1.702 178.294 176.600 -0.013 0.000 0.982 246 E CA 0.533 56.925 56.400 -0.013 0.000 0.823 246 E CB 0.308 29.999 29.700 -0.015 0.000 0.766 246 E HN 0.057 nan 8.360 nan 0.000 0.468 247 V N 1.350 121.255 119.914 -0.015 0.000 2.244 247 V HA -0.253 3.859 4.120 -0.014 0.000 0.244 247 V C 1.997 178.085 176.094 -0.010 0.000 1.042 247 V CA 2.125 64.416 62.300 -0.015 0.000 1.006 247 V CB -0.597 31.215 31.823 -0.017 0.000 0.641 247 V HN 0.270 nan 8.190 nan 0.000 0.446 248 E N 0.366 120.561 120.200 -0.007 0.000 2.171 248 E HA -0.249 4.093 4.350 -0.014 0.000 0.197 248 E C 2.237 178.835 176.600 -0.003 0.000 0.997 248 E CA 1.336 57.734 56.400 -0.003 0.000 0.810 248 E CB -0.328 29.371 29.700 -0.003 0.000 0.738 248 E HN 0.627 nan 8.360 nan 0.000 0.467 249 A N 1.098 123.915 122.820 -0.005 0.000 1.873 249 A HA -0.225 4.087 4.320 -0.014 0.000 0.215 249 A C 2.037 179.618 177.584 -0.005 0.000 1.186 249 A CA 1.246 53.280 52.037 -0.005 0.000 0.616 249 A CB -0.362 18.634 19.000 -0.007 0.000 0.823 249 A HN 0.157 nan 8.150 nan 0.000 0.442 250 Q N -0.525 119.271 119.800 -0.007 0.000 2.224 250 Q HA -0.038 4.294 4.340 -0.014 0.000 0.203 250 Q C 1.972 177.969 176.000 -0.005 0.000 0.970 250 Q CA 1.114 56.912 55.803 -0.008 0.000 0.865 250 Q CB -0.259 28.471 28.738 -0.013 0.000 0.922 250 Q HN 0.682 nan 8.270 nan 0.000 0.445 251 L N -0.378 120.843 121.223 -0.003 0.000 2.131 251 L HA -0.068 4.264 4.340 -0.014 0.000 0.206 251 L C 2.450 179.323 176.870 0.006 0.000 1.087 251 L CA 0.726 55.569 54.840 0.003 0.000 0.767 251 L CB -0.495 41.568 42.059 0.007 0.000 0.917 251 L HN 0.164 nan 8.230 nan 0.000 0.441 252 A N -0.350 122.472 122.820 0.004 0.000 1.972 252 A HA -0.132 4.180 4.320 -0.014 0.000 0.219 252 A C 2.331 179.917 177.584 0.004 0.000 1.169 252 A CA 1.490 53.530 52.037 0.005 0.000 0.635 252 A CB -0.687 18.314 19.000 0.003 0.000 0.810 252 A HN 0.196 nan 8.150 nan 0.000 0.446 253 V N -0.609 119.306 119.914 0.001 0.000 2.515 253 V HA -0.154 3.958 4.120 -0.014 0.000 0.250 253 V C 2.231 178.326 176.094 0.002 0.000 1.058 253 V CA 1.621 63.921 62.300 0.001 0.000 1.064 253 V CB -0.469 31.352 31.823 -0.003 0.000 0.675 253 V HN 0.552 nan 8.190 nan 0.000 0.461 254 L N 0.659 121.884 121.223 0.003 0.000 2.622 254 L HA 0.232 4.564 4.340 -0.014 0.000 0.233 254 L C 1.564 178.441 176.870 0.011 0.000 1.156 254 L CA 1.531 56.374 54.840 0.006 0.000 0.866 254 L CB -0.367 41.696 42.059 0.007 0.000 0.980 254 L HN 0.431 nan 8.230 nan 0.000 0.448 255 G N -1.866 106.940 108.800 0.010 0.000 2.278 255 G HA2 -0.225 3.727 3.960 -0.014 0.000 0.210 255 G HA3 -0.225 3.727 3.960 -0.014 0.000 0.210 255 G C 0.150 175.058 174.900 0.013 0.000 1.000 255 G CA 0.013 45.119 45.100 0.011 0.000 0.635 255 G HN 0.183 nan 8.290 nan 0.000 0.495 256 L N 1.771 123.004 121.223 0.016 0.000 2.483 256 L HA 0.516 4.848 4.340 -0.014 0.000 0.276 256 L C 1.026 177.905 176.870 0.014 0.000 1.213 256 L CA 0.234 55.085 54.840 0.019 0.000 0.843 256 L CB 0.384 42.457 42.059 0.024 0.000 1.107 256 L HN 0.266 nan 8.230 nan 0.000 0.487 257 E N 3.419 123.627 120.200 0.014 0.000 2.410 257 E HA 0.090 4.432 4.350 -0.014 0.000 0.255 257 E C -1.590 175.017 176.600 0.011 0.000 1.194 257 E CA -1.043 55.364 56.400 0.011 0.000 0.955 257 E CB 0.148 29.855 29.700 0.011 0.000 0.988 257 E HN 0.324 nan 8.360 nan 0.000 0.461 258 P HA -0.114 nan 4.420 nan 0.000 0.217 258 P C 1.056 178.362 177.300 0.009 0.000 1.151 258 P CA 1.652 64.757 63.100 0.008 0.000 0.828 258 P CB -0.000 31.703 31.700 0.006 0.000 0.788 259 T N -2.943 111.617 114.554 0.009 0.000 2.867 259 T HA -0.090 4.252 4.350 -0.014 0.000 0.268 259 T C 1.864 176.571 174.700 0.012 0.000 1.057 259 T CA 1.022 63.127 62.100 0.009 0.000 1.136 259 T CB -1.347 67.526 68.868 0.008 0.000 0.874 259 T HN -0.051 nan 8.240 nan 0.000 0.466 260 V N 0.864 120.787 119.914 0.014 0.000 2.488 260 V HA -0.016 4.096 4.120 -0.014 0.000 0.246 260 V C 2.594 178.701 176.094 0.022 0.000 1.046 260 V CA 1.235 63.547 62.300 0.019 0.000 1.053 260 V CB -0.460 31.377 31.823 0.023 0.000 0.679 260 V HN 0.447 nan 8.190 nan 0.000 0.458 261 V N 0.646 120.571 119.914 0.019 0.000 2.287 261 V HA -0.253 3.859 4.120 -0.014 0.000 0.248 261 V C 2.421 178.524 176.094 0.015 0.000 1.053 261 V CA 2.528 64.838 62.300 0.017 0.000 1.027 261 V CB -0.843 30.987 31.823 0.012 0.000 0.646 261 V HN 0.587 nan 8.190 nan 0.000 0.447 262 D N 0.389 120.796 120.400 0.012 0.000 2.106 262 D HA -0.191 4.441 4.640 -0.014 0.000 0.191 262 D C 2.265 178.573 176.300 0.014 0.000 0.997 262 D CA 1.897 55.903 54.000 0.011 0.000 0.834 262 D CB -0.506 40.299 40.800 0.009 0.000 0.956 262 D HN 0.428 nan 8.370 nan 0.000 0.448 263 A N 0.685 123.514 122.820 0.016 0.000 1.917 263 A HA -0.217 4.095 4.320 -0.014 0.000 0.219 263 A C 2.452 180.051 177.584 0.024 0.000 1.182 263 A CA 1.393 53.441 52.037 0.018 0.000 0.633 263 A CB -0.857 18.155 19.000 0.019 0.000 0.819 263 A HN 0.255 nan 8.150 nan 0.000 0.448 264 I N -1.092 119.495 120.570 0.028 0.000 2.142 264 I HA -0.238 3.924 4.170 -0.014 0.000 0.240 264 I C 2.682 178.814 176.117 0.025 0.000 1.078 264 I CA 1.802 63.123 61.300 0.035 0.000 1.343 264 I CB -0.841 37.182 38.000 0.039 0.000 1.046 264 I HN 0.259 nan 8.210 nan 0.000 0.405 265 T N 0.454 115.018 114.554 0.017 0.000 2.620 265 T HA -0.253 4.089 4.350 -0.014 0.000 0.267 265 T C 1.855 176.562 174.700 0.012 0.000 1.044 265 T CA 2.465 64.571 62.100 0.010 0.000 1.161 265 T CB -0.473 68.398 68.868 0.006 0.000 0.862 265 T HN 0.444 nan 8.240 nan 0.000 0.438 266 T N 1.823 116.386 114.554 0.015 0.000 2.652 266 T HA -0.167 4.174 4.350 -0.014 0.000 0.267 266 T C 2.428 177.144 174.700 0.027 0.000 1.039 266 T CA 2.069 64.180 62.100 0.018 0.000 1.153 266 T CB -1.036 67.841 68.868 0.016 0.000 0.863 266 T HN 0.742 nan 8.240 nan 0.000 0.428 267 T N 1.822 116.395 114.554 0.032 0.000 2.652 267 T HA -0.119 4.223 4.350 -0.014 0.000 0.267 267 T C 1.929 176.661 174.700 0.053 0.000 1.039 267 T CA 1.011 63.139 62.100 0.047 0.000 1.153 267 T CB -0.879 68.019 68.868 0.050 0.000 0.863 267 T HN 0.086 nan 8.240 nan 0.000 0.428 268 L N 2.466 123.708 121.223 0.032 0.000 2.081 268 L HA -0.061 4.271 4.340 -0.014 0.000 0.212 268 L C 2.985 179.855 176.870 -0.001 0.000 1.080 268 L CA 2.052 56.897 54.840 0.009 0.000 0.754 268 L CB -0.937 41.119 42.059 -0.006 0.000 0.893 268 L HN 0.659 nan 8.230 nan 0.000 0.433 269 S N -1.922 113.785 115.700 0.012 0.000 2.593 269 S HA 0.092 4.554 4.470 -0.014 0.000 0.217 269 S C 0.814 175.439 174.600 0.041 0.000 0.966 269 S CA -0.365 57.841 58.200 0.010 0.000 0.914 269 S CB -0.691 62.513 63.200 0.007 0.000 0.776 269 S HN 0.226 nan 8.310 nan 0.000 0.523 270 L N 2.183 123.452 121.223 0.077 0.000 2.578 270 L HA 0.082 4.414 4.340 -0.014 0.000 0.279 270 L C 1.583 178.572 176.870 0.199 0.000 1.227 270 L CA -0.442 54.472 54.840 0.124 0.000 0.900 270 L CB 0.346 42.497 42.059 0.153 0.000 1.144 270 L HN 0.118 nan 8.230 nan 0.000 0.496 271 K N 1.350 121.839 120.400 0.149 0.000 2.031 271 K HA 0.059 4.370 4.320 -0.014 0.000 0.205 271 K C 0.793 177.550 176.600 0.262 0.000 1.049 271 K CA 0.733 57.112 56.287 0.153 0.000 0.939 271 K CB 0.093 32.638 32.500 0.075 0.000 0.717 271 K HN 0.614 nan 8.250 nan 0.000 0.438 272 S N -1.664 114.117 115.700 0.136 0.000 2.720 272 S HA 0.343 4.805 4.470 -0.014 0.000 0.287 272 S C 0.947 175.298 174.600 -0.416 0.000 1.168 272 S CA -0.653 57.512 58.200 -0.059 0.000 0.832 272 S CB 0.632 63.795 63.200 -0.061 0.000 1.166 272 S HN -0.049 nan 8.310 nan 0.000 0.493 273 I N 2.080 122.285 120.570 -0.608 0.000 2.142 273 I HA -0.111 4.051 4.170 -0.014 0.000 0.240 273 I C 2.127 178.078 176.117 -0.278 0.000 1.078 273 I CA 1.442 62.410 61.300 -0.554 0.000 1.343 273 I CB -0.558 37.181 38.000 -0.436 0.000 1.046 273 I HN 0.628 nan 8.210 nan 0.000 0.405 274 D N 0.671 120.955 120.400 -0.193 0.000 2.157 274 D HA -0.297 4.335 4.640 -0.014 0.000 0.191 274 D C 2.064 178.307 176.300 -0.095 0.000 1.004 274 D CA 1.968 55.900 54.000 -0.113 0.000 0.854 274 D CB -0.171 40.580 40.800 -0.082 0.000 0.936 274 D HN 0.555 nan 8.370 nan 0.000 0.446 275 E N -0.019 120.122 120.200 -0.099 0.000 2.107 275 E HA -0.122 4.220 4.350 -0.014 0.000 0.191 275 E C 2.383 178.943 176.600 -0.068 0.000 0.982 275 E CA 0.146 56.510 56.400 -0.060 0.000 0.809 275 E CB 0.178 29.864 29.700 -0.023 0.000 0.756 275 E HN 0.159 nan 8.360 nan 0.000 0.459 276 I N 1.273 121.771 120.570 -0.120 0.000 2.118 276 I HA -0.316 3.845 4.170 -0.014 0.000 0.241 276 I C 2.583 178.640 176.117 -0.100 0.000 1.070 276 I CA 1.446 62.680 61.300 -0.112 0.000 1.327 276 I CB -1.504 36.390 38.000 -0.176 0.000 1.034 276 I HN 0.141 nan 8.210 nan 0.000 0.405 277 A N 0.329 123.091 122.820 -0.096 0.000 1.971 277 A HA -0.298 4.014 4.320 -0.014 0.000 0.222 277 A C 2.192 179.747 177.584 -0.049 0.000 1.182 277 A CA 2.171 54.169 52.037 -0.065 0.000 0.649 277 A CB -0.839 18.131 19.000 -0.051 0.000 0.818 277 A HN 0.626 nan 8.150 nan 0.000 0.458 278 Q N -1.990 117.783 119.800 -0.045 0.000 2.378 278 Q HA 0.002 4.333 4.340 -0.014 0.000 0.205 278 Q C 2.343 178.327 176.000 -0.028 0.000 0.954 278 Q CA 1.129 56.914 55.803 -0.030 0.000 0.901 278 Q CB -0.121 28.602 28.738 -0.024 0.000 0.981 278 Q HN 0.740 nan 8.270 nan 0.000 0.483 279 R N 0.438 120.915 120.500 -0.039 0.000 2.265 279 R HA 0.134 4.466 4.340 -0.014 0.000 0.194 279 R C 1.564 177.832 176.300 -0.053 0.000 0.931 279 R CA 1.178 57.257 56.100 -0.035 0.000 1.032 279 R CB -0.047 30.236 30.300 -0.028 0.000 0.980 279 R HN 0.248 nan 8.270 nan 0.000 0.497 280 V N -4.962 114.903 119.914 -0.082 0.000 3.440 280 V HA 0.579 4.691 4.120 -0.014 0.000 0.301 280 V C 0.695 176.755 176.094 -0.057 0.000 1.555 280 V CA -0.163 62.065 62.300 -0.121 0.000 1.095 280 V CB -0.240 31.378 31.823 -0.342 0.000 0.936 280 V HN 1.287 nan 8.190 nan 0.000 0.452 281 G N 1.487 110.272 108.800 -0.026 0.000 2.764 281 G HA2 -0.158 3.793 3.960 -0.014 0.000 0.686 281 G HA3 -0.158 3.793 3.960 -0.014 0.000 0.686 281 G C 0.080 174.998 174.900 0.031 0.000 1.258 281 G CA 0.357 45.466 45.100 0.016 0.000 0.846 281 G HN 0.592 nan 8.290 nan 0.000 0.596 282 E N 0.430 120.644 120.200 0.024 0.000 2.153 282 E HA -0.063 4.279 4.350 -0.014 0.000 0.194 282 E C 1.242 177.879 176.600 0.061 0.000 0.988 282 E CA 1.579 57.996 56.400 0.029 0.000 0.811 282 E CB 0.104 29.813 29.700 0.014 0.000 0.746 282 E HN 0.557 nan 8.360 nan 0.000 0.466 283 E N 1.326 121.565 120.200 0.065 0.000 1.865 283 E HA 0.088 4.430 4.350 -0.014 0.000 0.269 283 E C -0.439 176.239 176.600 0.131 0.000 1.177 283 E CA 0.233 56.674 56.400 0.070 0.000 0.932 283 E CB 0.058 29.784 29.700 0.043 0.000 1.066 283 E HN 0.269 nan 8.360 nan 0.000 0.405 284 H N 1.417 120.493 119.070 0.010 0.000 3.114 284 H HA -0.012 4.542 4.556 -0.002 0.000 0.325 284 H C 0.648 175.989 175.328 0.021 0.000 1.206 284 H CA -0.161 55.894 56.048 0.012 0.000 1.316 284 H CB 1.119 30.887 29.762 0.010 0.000 1.981 284 H HN 0.374 nan 8.280 nan 0.000 0.527 285 E N 2.968 123.020 120.200 -0.248 0.000 2.017 285 E HA -0.129 4.213 4.350 -0.014 0.000 0.193 285 E C 1.833 178.535 176.600 0.170 0.000 0.997 285 E CA 1.088 57.465 56.400 -0.038 0.000 0.804 285 E CB -0.220 29.415 29.700 -0.109 0.000 0.757 285 E HN 0.499 nan 8.360 nan 0.000 0.448 286 A N 1.603 124.640 122.820 0.361 0.000 1.927 286 A HA -0.207 4.104 4.320 -0.014 0.000 0.220 286 A C 2.597 180.307 177.584 0.210 0.000 1.185 286 A CA 2.097 54.310 52.037 0.293 0.000 0.639 286 A CB -1.086 18.086 19.000 0.287 0.000 0.820 286 A HN 0.209 nan 8.150 nan 0.000 0.451 287 V N 0.815 120.857 119.914 0.213 0.000 2.244 287 V HA -0.284 3.828 4.120 -0.014 0.000 0.244 287 V C 2.640 178.797 176.094 0.105 0.000 1.042 287 V CA 2.528 64.885 62.300 0.095 0.000 1.006 287 V CB -0.676 31.181 31.823 0.058 0.000 0.641 287 V HN 0.893 nan 8.190 nan 0.000 0.446 288 K N 0.200 120.668 120.400 0.115 0.000 2.211 288 K HA -0.167 4.145 4.320 -0.014 0.000 0.203 288 K C 1.816 178.489 176.600 0.121 0.000 1.050 288 K CA 1.847 58.192 56.287 0.097 0.000 0.945 288 K CB -0.289 32.255 32.500 0.075 0.000 0.732 288 K HN 0.504 nan 8.250 nan 0.000 0.451 289 E N 1.026 121.307 120.200 0.134 0.000 2.051 289 E HA -0.143 4.199 4.350 -0.014 0.000 0.192 289 E C 2.054 178.785 176.600 0.218 0.000 0.991 289 E CA 1.380 57.870 56.400 0.149 0.000 0.799 289 E CB -0.131 29.647 29.700 0.130 0.000 0.748 289 E HN 0.285 nan 8.360 nan 0.000 0.449 290 L N 0.600 121.971 121.223 0.246 0.000 2.056 290 L HA -0.177 4.155 4.340 -0.014 0.000 0.207 290 L C 2.550 179.705 176.870 0.475 0.000 1.078 290 L CA 1.153 56.236 54.840 0.404 0.000 0.749 290 L CB -0.268 42.005 42.059 0.357 0.000 0.901 290 L HN 0.043 nan 8.230 nan 0.000 0.433 291 R N -0.432 120.230 120.500 0.271 0.000 2.096 291 R HA -0.190 4.142 4.340 -0.014 0.000 0.235 291 R C 2.258 178.687 176.300 0.214 0.000 1.127 291 R CA 1.395 57.621 56.100 0.211 0.000 0.968 291 R CB -0.412 29.950 30.300 0.103 0.000 0.861 291 R HN 0.514 nan 8.270 nan 0.000 0.440 292 Q N -0.103 119.812 119.800 0.192 0.000 2.020 292 Q HA -0.171 4.161 4.340 -0.014 0.000 0.202 292 Q C 1.922 178.024 176.000 0.169 0.000 0.982 292 Q CA 1.600 57.495 55.803 0.154 0.000 0.838 292 Q CB -0.271 28.546 28.738 0.132 0.000 0.899 292 Q HN 0.226 nan 8.270 nan 0.000 0.423 293 F N 0.562 120.561 119.950 0.081 0.000 2.063 293 F HA -0.287 4.232 4.527 -0.014 0.000 0.298 293 F C 1.630 177.402 175.800 -0.047 0.000 1.109 293 F CA 1.597 59.588 58.000 -0.015 0.000 1.212 293 F CB -0.513 38.440 39.000 -0.077 0.000 0.973 293 F HN -0.001 nan 8.300 nan 0.000 0.480 294 F N 1.165 120.990 119.950 -0.209 0.000 2.186 294 F HA -0.118 4.400 4.527 -0.015 0.000 0.299 294 F C 2.628 178.325 175.800 -0.173 0.000 1.090 294 F CA 1.634 59.456 58.000 -0.297 0.000 1.307 294 F CB -0.830 38.148 39.000 -0.036 0.000 1.019 294 F HN 0.264 nan 8.300 nan 0.000 0.489 295 E N -0.220 120.034 120.200 0.091 0.000 2.152 295 E HA -0.210 4.132 4.350 -0.014 0.000 0.192 295 E C 1.832 178.438 176.600 0.010 0.000 0.983 295 E CA 1.121 57.556 56.400 0.059 0.000 0.818 295 E CB -0.573 29.166 29.700 0.065 0.000 0.758 295 E HN 0.507 nan 8.360 nan 0.000 0.467 296 Q N 0.687 120.467 119.800 -0.034 0.000 2.137 296 Q HA -0.039 4.293 4.340 -0.014 0.000 0.198 296 Q C 2.401 178.371 176.000 -0.050 0.000 0.960 296 Q CA 1.227 57.014 55.803 -0.027 0.000 0.847 296 Q CB 0.228 28.962 28.738 -0.007 0.000 0.915 296 Q HN 0.184 nan 8.270 nan 0.000 0.448 297 V N 1.306 121.109 119.914 -0.185 0.000 2.358 297 V HA -0.248 3.864 4.120 -0.014 0.000 0.246 297 V C 1.816 177.925 176.094 0.026 0.000 1.047 297 V CA 1.844 64.064 62.300 -0.133 0.000 1.035 297 V CB -0.414 31.191 31.823 -0.364 0.000 0.658 297 V HN 0.343 nan 8.190 nan 0.000 0.452 298 E N 0.288 120.500 120.200 0.021 0.000 2.085 298 E HA -0.231 4.111 4.350 -0.014 0.000 0.194 298 E C 2.317 178.952 176.600 0.058 0.000 0.994 298 E CA 1.432 57.878 56.400 0.077 0.000 0.801 298 E CB -0.370 29.378 29.700 0.079 0.000 0.743 298 E HN 0.614 nan 8.360 nan 0.000 0.453 299 A N 0.567 123.411 122.820 0.039 0.000 1.877 299 A HA -0.225 4.087 4.320 -0.014 0.000 0.216 299 A C 2.034 179.621 177.584 0.005 0.000 1.186 299 A CA 1.446 53.496 52.037 0.022 0.000 0.620 299 A CB -0.856 18.159 19.000 0.024 0.000 0.822 299 A HN 0.442 nan 8.150 nan 0.000 0.443 300 Y N -0.028 120.208 120.300 -0.107 0.000 2.421 300 Y HA 0.148 4.691 4.550 -0.013 0.000 0.292 300 Y C 1.517 177.261 175.900 -0.260 0.000 1.136 300 Y CA 1.351 59.336 58.100 -0.191 0.000 1.255 300 Y CB -0.051 38.280 38.460 -0.215 0.000 0.991 300 Y HN 0.540 nan 8.280 nan 0.000 0.552 301 G N -1.486 107.280 108.800 -0.058 0.000 2.145 301 G HA2 -0.259 3.693 3.960 -0.014 0.000 0.176 301 G HA3 -0.259 3.693 3.960 -0.014 0.000 0.176 301 G C -0.463 174.553 174.900 0.193 0.000 1.013 301 G CA -0.031 45.049 45.100 -0.033 0.000 0.689 301 G HN 0.272 nan 8.290 nan 0.000 0.506 302 Y N 1.132 121.566 120.300 0.223 0.000 2.764 302 Y HA 0.479 5.021 4.550 -0.014 0.000 0.350 302 Y C 1.899 177.979 175.900 0.300 0.000 0.982 302 Y CA -0.918 57.353 58.100 0.285 0.000 1.431 302 Y CB 0.272 38.816 38.460 0.140 0.000 1.326 302 Y HN 0.170 nan 8.280 nan 0.000 0.550 303 G N 0.396 109.427 108.800 0.384 0.000 2.433 303 G HA2 -0.265 3.686 3.960 -0.014 0.000 0.216 303 G HA3 -0.265 3.686 3.960 -0.014 0.000 0.216 303 G C 1.014 176.087 174.900 0.289 0.000 1.186 303 G CA 1.071 46.336 45.100 0.276 0.000 0.779 303 G HN 0.365 nan 8.290 nan 0.000 0.543 304 D N -0.499 120.065 120.400 0.274 0.000 2.348 304 D HA -0.036 4.595 4.640 -0.014 0.000 0.216 304 D C 1.726 178.088 176.300 0.103 0.000 0.970 304 D CA 0.311 54.398 54.000 0.145 0.000 0.889 304 D CB -0.104 40.720 40.800 0.040 0.000 0.912 304 D HN 0.562 nan 8.370 nan 0.000 0.524 305 W N 1.088 122.451 121.300 0.105 0.000 2.436 305 W HA 0.064 4.715 4.660 -0.014 0.000 0.284 305 W C 0.982 177.569 176.519 0.113 0.000 1.225 305 W CA 0.428 57.807 57.345 0.057 0.000 1.271 305 W CB -0.122 29.330 29.460 -0.013 0.000 1.114 305 W HN -0.174 nan 8.180 nan 0.000 0.559 306 V N -0.031 120.113 119.914 0.383 0.000 2.975 306 V HA 0.885 4.996 4.120 -0.014 0.000 0.318 306 V C -0.518 175.851 176.094 0.458 0.000 1.077 306 V CA -1.389 61.138 62.300 0.378 0.000 1.000 306 V CB 1.417 33.399 31.823 0.265 0.000 1.066 306 V HN 0.062 nan 8.190 nan 0.000 0.452 307 L N -0.250 121.302 121.223 0.547 0.000 2.710 307 L HA 0.713 5.045 4.340 -0.014 0.000 0.260 307 L C -1.042 176.177 176.870 0.581 0.000 0.993 307 L CA -0.705 54.454 54.840 0.531 0.000 0.877 307 L CB 1.695 43.943 42.059 0.316 0.000 1.461 307 L HN 0.827 nan 8.230 nan 0.000 0.413 308 F N 1.747 121.860 119.950 0.271 0.000 2.412 308 F HA 0.652 5.170 4.527 -0.015 0.000 0.348 308 F C -0.332 175.539 175.800 0.120 0.000 1.102 308 F CA 0.418 58.553 58.000 0.226 0.000 1.196 308 F CB 0.837 39.837 39.000 -0.000 0.000 1.144 308 F HN 0.721 nan 8.300 nan 0.000 0.541 309 D N 4.579 124.452 120.400 -0.879 0.000 2.479 309 D HA 0.306 4.938 4.640 -0.014 0.000 0.246 309 D C 0.358 176.084 176.300 -0.956 0.000 1.336 309 D CA -0.105 53.449 54.000 -0.744 0.000 0.967 309 D CB 1.752 42.340 40.800 -0.353 0.000 1.275 309 D HN 0.701 nan 8.370 nan 0.000 0.577 310 A N 2.419 124.667 122.820 -0.954 0.000 2.131 310 A HA -0.137 4.175 4.320 -0.014 0.000 0.220 310 A C 1.959 179.418 177.584 -0.208 0.000 1.158 310 A CA 1.894 53.666 52.037 -0.443 0.000 0.665 310 A CB -0.262 18.722 19.000 -0.027 0.000 0.795 310 A HN 0.534 nan 8.150 nan 0.000 0.460 311 S N -0.791 114.779 115.700 -0.217 0.000 2.461 311 S HA 0.068 4.530 4.470 -0.014 0.000 0.228 311 S C 0.608 175.132 174.600 -0.127 0.000 1.005 311 S CA 0.477 58.595 58.200 -0.138 0.000 0.942 311 S CB -0.726 62.392 63.200 -0.138 0.000 0.776 311 S HN 0.159 nan 8.310 nan 0.000 0.514 312 V N 3.103 122.921 119.914 -0.158 0.000 2.521 312 V HA 0.275 4.387 4.120 -0.014 0.000 0.286 312 V C 1.215 177.255 176.094 -0.090 0.000 1.034 312 V CA 0.348 62.572 62.300 -0.127 0.000 1.045 312 V CB 0.978 32.724 31.823 -0.127 0.000 0.974 312 V HN 0.513 nan 8.190 nan 0.000 0.480 313 V N 2.068 121.931 119.914 -0.085 0.000 3.294 313 V HA 0.521 4.633 4.120 -0.014 0.000 0.255 313 V C 0.288 176.335 176.094 -0.079 0.000 1.528 313 V CA -0.313 61.949 62.300 -0.063 0.000 1.086 313 V CB 0.175 31.973 31.823 -0.042 0.000 0.906 313 V HN 0.867 nan 8.190 nan 0.000 0.433 314 R N 0.070 120.517 120.500 -0.089 0.000 1.324 314 R HA -0.087 4.245 4.340 -0.014 0.000 0.434 314 R C 0.609 176.893 176.300 -0.027 0.000 1.325 314 R CA 0.765 56.829 56.100 -0.061 0.000 1.172 314 R CB -1.798 28.461 30.300 -0.068 0.000 3.276 314 R HN 0.871 nan 8.270 nan 0.000 0.517 315 G N 0.779 109.563 108.800 -0.027 0.000 3.337 315 G HA2 0.403 4.355 3.960 -0.014 0.000 0.246 315 G HA3 0.403 4.355 3.960 -0.014 0.000 0.246 315 G C 0.255 175.086 174.900 -0.114 0.000 1.131 315 G CA -0.122 44.940 45.100 -0.065 0.000 0.773 315 G HN 0.197 nan 8.290 nan 0.000 0.544 316 L N 0.785 121.919 121.223 -0.149 0.000 2.333 316 L HA 0.500 4.831 4.340 -0.014 0.000 0.280 316 L C 1.106 177.664 176.870 -0.519 0.000 1.004 316 L CA -0.938 53.646 54.840 -0.427 0.000 0.820 316 L CB 2.237 43.864 42.059 -0.720 0.000 1.247 316 L HN 0.038 nan 8.230 nan 0.000 0.416 317 A N 2.542 125.088 122.820 -0.456 0.000 2.259 317 A HA -0.060 4.252 4.320 -0.014 0.000 0.208 317 A C 1.041 178.511 177.584 -0.191 0.000 1.201 317 A CA 0.405 52.279 52.037 -0.273 0.000 0.824 317 A CB -0.479 18.412 19.000 -0.181 0.000 0.838 317 A HN 0.794 nan 8.150 nan 0.000 0.485 318 Y N -3.822 116.352 120.300 -0.210 0.000 2.458 318 Y HA 0.430 4.971 4.550 -0.015 0.000 0.256 318 Y C 0.045 175.901 175.900 -0.074 0.000 1.159 318 Y CA -2.167 55.840 58.100 -0.154 0.000 1.261 318 Y CB -1.563 36.784 38.460 -0.188 0.000 1.119 318 Y HN 0.231 nan 8.280 nan 0.000 0.524 319 Y N 1.853 122.296 120.300 0.239 0.000 2.425 319 Y HA 0.201 4.741 4.550 -0.016 0.000 0.331 319 Y C 1.758 177.789 175.900 0.218 0.000 1.157 319 Y CA 0.542 58.794 58.100 0.252 0.000 1.372 319 Y CB 1.265 39.792 38.460 0.111 0.000 1.253 319 Y HN 0.245 nan 8.280 nan 0.000 0.536 320 T N -1.862 112.930 114.554 0.398 0.000 2.999 320 T HA 0.355 4.697 4.350 -0.014 0.000 0.247 320 T C 0.987 175.829 174.700 0.237 0.000 1.012 320 T CA 0.488 62.758 62.100 0.284 0.000 1.048 320 T CB 0.150 69.145 68.868 0.211 0.000 1.020 320 T HN 0.748 nan 8.240 nan 0.000 0.478 321 G N 1.249 110.179 108.800 0.217 0.000 3.088 321 G HA2 0.578 4.529 3.960 -0.014 0.000 0.197 321 G HA3 0.578 4.529 3.960 -0.014 0.000 0.197 321 G C -0.547 174.427 174.900 0.123 0.000 1.611 321 G CA -0.807 44.386 45.100 0.156 0.000 0.771 321 G HN 0.390 nan 8.290 nan 0.000 0.789 322 I N 1.614 122.236 120.570 0.088 0.000 2.634 322 I HA 0.371 4.533 4.170 -0.014 0.000 0.284 322 I C 0.081 176.209 176.117 0.018 0.000 1.124 322 I CA -0.105 61.218 61.300 0.038 0.000 1.417 322 I CB 1.252 39.219 38.000 -0.054 0.000 1.396 322 I HN 0.242 nan 8.210 nan 0.000 0.571 323 V N 4.138 124.044 119.914 -0.014 0.000 3.012 323 V HA 0.731 4.843 4.120 -0.014 0.000 0.307 323 V C -1.005 175.080 176.094 -0.015 0.000 1.166 323 V CA -0.819 61.364 62.300 -0.197 0.000 0.974 323 V CB 1.811 33.424 31.823 -0.350 0.000 1.040 323 V HN 0.694 nan 8.190 nan 0.000 0.428 324 F N -0.636 119.190 119.950 -0.207 0.000 2.686 324 F HA 0.928 5.445 4.527 -0.016 0.000 0.311 324 F C -0.765 174.974 175.800 -0.102 0.000 1.128 324 F CA -0.795 57.130 58.000 -0.126 0.000 0.946 324 F CB 2.080 41.015 39.000 -0.108 0.000 1.336 324 F HN 0.699 nan 8.300 nan 0.000 0.457 325 E N 0.216 120.500 120.200 0.140 0.000 2.291 325 E HA 0.500 4.842 4.350 -0.014 0.000 0.276 325 E C -0.941 175.764 176.600 0.174 0.000 0.896 325 E CA -0.949 55.481 56.400 0.049 0.000 0.774 325 E CB 2.296 31.983 29.700 -0.021 0.000 1.227 325 E HN 1.107 nan 8.360 nan 0.000 0.413 326 G N 3.011 111.880 108.800 0.114 0.000 2.372 326 G HA2 0.539 4.491 3.960 -0.014 0.000 0.283 326 G HA3 0.539 4.491 3.960 -0.014 0.000 0.283 326 G C -0.752 174.285 174.900 0.228 0.000 1.177 326 G CA -0.245 44.943 45.100 0.147 0.000 0.842 326 G HN 0.384 nan 8.290 nan 0.000 0.503 327 F N 0.825 120.796 119.950 0.035 0.000 2.626 327 F HA 0.556 5.075 4.527 -0.014 0.000 0.311 327 F C -0.591 175.250 175.800 0.069 0.000 1.088 327 F CA -1.622 56.406 58.000 0.046 0.000 0.949 327 F CB 1.810 40.829 39.000 0.031 0.000 1.322 327 F HN 0.490 nan 8.300 nan 0.000 0.461 328 D N 2.592 122.981 120.400 -0.019 0.000 2.264 328 D HA 0.195 4.827 4.640 -0.014 0.000 0.250 328 D C 0.520 176.734 176.300 -0.144 0.000 1.113 328 D CA -0.515 53.421 54.000 -0.106 0.000 0.871 328 D CB 1.719 42.629 40.800 0.184 0.000 1.167 328 D HN 0.633 nan 8.370 nan 0.000 0.447 329 R N 2.534 122.858 120.500 -0.293 0.000 2.117 329 R HA -0.162 4.170 4.340 -0.014 0.000 0.243 329 R C 1.526 177.865 176.300 0.065 0.000 1.143 329 R CA 1.219 57.248 56.100 -0.119 0.000 0.968 329 R CB -0.295 29.920 30.300 -0.141 0.000 0.863 329 R HN 0.684 nan 8.270 nan 0.000 0.444 330 E N -0.398 119.809 120.200 0.012 0.000 2.268 330 E HA -0.047 4.295 4.350 -0.014 0.000 0.195 330 E C 0.726 177.324 176.600 -0.003 0.000 0.995 330 E CA 0.583 56.982 56.400 -0.002 0.000 0.836 330 E CB -0.023 29.655 29.700 -0.036 0.000 0.763 330 E HN 0.523 nan 8.360 nan 0.000 0.491 331 G N 1.613 110.438 108.800 0.042 0.000 2.289 331 G HA2 -0.304 3.648 3.960 -0.014 0.000 0.280 331 G HA3 -0.304 3.648 3.960 -0.014 0.000 0.280 331 G C 0.488 175.316 174.900 -0.120 0.000 1.089 331 G CA 0.576 45.697 45.100 0.035 0.000 0.939 331 G HN 0.201 nan 8.290 nan 0.000 0.499 332 K N -1.366 118.851 120.400 -0.306 0.000 2.214 332 K HA 0.285 4.597 4.320 -0.014 0.000 0.201 332 K C 0.597 176.758 176.600 -0.731 0.000 1.049 332 K CA 0.798 56.658 56.287 -0.711 0.000 0.978 332 K CB 0.368 32.071 32.500 -1.328 0.000 0.842 332 K HN 0.443 nan 8.250 nan 0.000 0.474 333 F N 0.781 120.753 119.950 0.037 0.000 2.598 333 F HA 0.413 4.931 4.527 -0.014 0.000 0.327 333 F C 0.873 176.691 175.800 0.030 0.000 1.057 333 F CA -1.491 56.526 58.000 0.028 0.000 0.957 333 F CB 0.608 39.626 39.000 0.028 0.000 1.278 333 F HN -0.343 nan 8.300 nan 0.000 0.484 334 R N 0.676 121.304 120.500 0.213 0.000 3.016 334 R HA 0.255 4.586 4.340 -0.014 0.000 0.285 334 R C -0.123 176.246 176.300 0.114 0.000 1.041 334 R CA 0.067 56.233 56.100 0.111 0.000 1.196 334 R CB 0.079 30.415 30.300 0.060 0.000 1.160 334 R HN 0.821 nan 8.270 nan 0.000 0.530 335 A N 1.358 124.210 122.820 0.055 0.000 2.524 335 A HA 0.063 4.375 4.320 -0.014 0.000 0.250 335 A C 1.745 179.318 177.584 -0.017 0.000 1.078 335 A CA -0.111 51.948 52.037 0.037 0.000 0.761 335 A CB -0.066 18.931 19.000 -0.005 0.000 1.012 335 A HN 0.679 nan 8.150 nan 0.000 0.500 336 L N 1.914 123.110 121.223 -0.045 0.000 2.013 336 L HA -0.173 4.159 4.340 -0.014 0.000 0.212 336 L C 1.146 177.750 176.870 -0.443 0.000 1.073 336 L CA 1.920 56.633 54.840 -0.212 0.000 0.753 336 L CB -0.637 41.280 42.059 -0.238 0.000 0.890 336 L HN 1.000 nan 8.230 nan 0.000 0.432 337 C N -3.262 115.809 119.300 -0.383 0.000 3.311 337 C HA 0.866 5.318 4.460 -0.014 0.000 0.325 337 C C -0.187 174.706 174.990 -0.162 0.000 1.352 337 C CA -0.381 58.419 59.018 -0.364 0.000 1.308 337 C CB 0.897 28.235 27.740 -0.670 0.000 1.619 337 C HN 0.314 nan 8.230 nan 0.000 0.469 338 G N -0.438 108.304 108.800 -0.097 0.000 2.742 338 G HA2 0.929 4.881 3.960 -0.014 0.000 0.296 338 G HA3 0.929 4.881 3.960 -0.014 0.000 0.296 338 G C -0.634 174.112 174.900 -0.256 0.000 1.436 338 G CA 0.213 45.194 45.100 -0.198 0.000 0.928 338 G HN 2.149 nan 8.290 nan 0.000 0.520 339 G N -1.426 106.900 108.800 -0.790 0.000 2.570 339 G HA2 1.059 5.010 3.960 -0.014 0.000 0.310 339 G HA3 1.059 5.010 3.960 -0.014 0.000 0.310 339 G C -0.193 173.979 174.900 -1.214 0.000 1.266 339 G CA 0.317 44.991 45.100 -0.709 0.000 0.825 339 G HN 2.210 nan 8.290 nan 0.000 0.483 340 G N -1.336 107.165 108.800 -0.500 0.000 2.356 340 G HA2 0.508 4.460 3.960 -0.014 0.000 0.300 340 G HA3 0.508 4.460 3.960 -0.014 0.000 0.300 340 G C -1.238 173.880 174.900 0.364 0.000 1.331 340 G CA -0.258 44.724 45.100 -0.196 0.000 0.905 340 G HN 0.743 nan 8.290 nan 0.000 0.587 341 R N -0.554 120.140 120.500 0.324 0.000 2.357 341 R HA 0.624 4.956 4.340 -0.014 0.000 0.296 341 R C -0.708 175.880 176.300 0.480 0.000 1.052 341 R CA -0.695 55.590 56.100 0.308 0.000 0.988 341 R CB 0.472 30.866 30.300 0.155 0.000 1.025 341 R HN 0.915 nan 8.270 nan 0.000 0.469 342 Y N 1.935 122.359 120.300 0.208 0.000 2.592 342 Y HA 0.350 4.893 4.550 -0.011 0.000 0.354 342 Y C -0.583 175.347 175.900 0.050 0.000 1.063 342 Y CA -1.044 57.145 58.100 0.148 0.000 1.205 342 Y CB 0.863 39.357 38.460 0.057 0.000 1.106 342 Y HN 0.537 nan 8.280 nan 0.000 0.649 343 D N 1.006 121.434 120.400 0.046 0.000 2.183 343 D HA -0.130 4.501 4.640 -0.014 0.000 0.203 343 D C 0.924 177.227 176.300 0.006 0.000 0.969 343 D CA 1.329 55.312 54.000 -0.028 0.000 0.842 343 D CB 0.202 41.000 40.800 -0.003 0.000 0.957 343 D HN 0.572 nan 8.370 nan 0.000 0.484 344 N N 0.238 118.977 118.700 0.064 0.000 2.424 344 N HA -0.021 4.711 4.740 -0.014 0.000 0.178 344 N C 1.712 177.253 175.510 0.050 0.000 1.060 344 N CA -0.047 53.034 53.050 0.052 0.000 0.901 344 N CB -0.074 38.452 38.487 0.065 0.000 0.979 344 N HN 0.116 nan 8.380 nan 0.000 0.451 345 L N 0.506 121.782 121.223 0.089 0.000 2.042 345 L HA -0.088 4.244 4.340 -0.014 0.000 0.210 345 L C 1.589 178.527 176.870 0.113 0.000 1.076 345 L CA 1.357 56.243 54.840 0.076 0.000 0.749 345 L CB -0.474 41.635 42.059 0.083 0.000 0.893 345 L HN 0.018 nan 8.230 nan 0.000 0.432 346 L N -0.887 120.395 121.223 0.099 0.000 2.201 346 L HA -0.133 4.199 4.340 -0.014 0.000 0.212 346 L C 2.444 179.353 176.870 0.065 0.000 1.105 346 L CA 2.052 56.948 54.840 0.093 0.000 0.775 346 L CB -1.343 40.715 42.059 -0.001 0.000 0.913 346 L HN 0.378 nan 8.230 nan 0.000 0.440 347 T N -2.637 111.934 114.554 0.027 0.000 2.777 347 T HA -0.149 4.192 4.350 -0.014 0.000 0.266 347 T C 1.794 176.490 174.700 -0.005 0.000 1.040 347 T CA 1.649 63.754 62.100 0.008 0.000 1.141 347 T CB -0.604 68.263 68.868 -0.001 0.000 0.868 347 T HN 0.275 nan 8.240 nan 0.000 0.444 348 T N 1.195 115.724 114.554 -0.041 0.000 2.759 348 T HA -0.104 4.237 4.350 -0.014 0.000 0.269 348 T C 1.394 175.973 174.700 -0.202 0.000 1.042 348 T CA 1.213 63.226 62.100 -0.144 0.000 1.140 348 T CB -0.494 68.225 68.868 -0.249 0.000 0.864 348 T HN 0.483 nan 8.240 nan 0.000 0.455 349 Y N 0.643 120.923 120.300 -0.034 0.000 2.511 349 Y HA 0.368 4.909 4.550 -0.015 0.000 0.279 349 Y C 1.824 177.701 175.900 -0.039 0.000 1.157 349 Y CA 0.018 58.092 58.100 -0.044 0.000 1.300 349 Y CB 0.151 38.573 38.460 -0.063 0.000 1.052 349 Y HN 0.346 nan 8.280 nan 0.000 0.529 350 G N -0.082 108.769 108.800 0.085 0.000 2.186 350 G HA2 -0.213 3.739 3.960 -0.014 0.000 0.130 350 G HA3 -0.213 3.739 3.960 -0.014 0.000 0.130 350 G C -0.171 174.743 174.900 0.023 0.000 1.031 350 G CA -0.006 45.117 45.100 0.038 0.000 0.697 350 G HN 0.225 nan 8.290 nan 0.000 0.494 351 S N 1.118 116.830 115.700 0.020 0.000 2.510 351 S HA 0.505 4.967 4.470 -0.014 0.000 0.279 351 S C 0.146 174.740 174.600 -0.009 0.000 1.284 351 S CA -0.433 57.766 58.200 -0.003 0.000 1.059 351 S CB 1.033 64.224 63.200 -0.015 0.000 0.901 351 S HN 0.220 nan 8.310 nan 0.000 0.491 352 P HA 0.023 nan 4.420 nan 0.000 0.236 352 P C 0.230 177.520 177.300 -0.016 0.000 1.172 352 P CA 0.723 63.815 63.100 -0.013 0.000 0.759 352 P CB -0.149 31.543 31.700 -0.013 0.000 0.843 353 T N -0.578 113.963 114.554 -0.021 0.000 3.172 353 T HA 0.385 4.727 4.350 -0.014 0.000 0.320 353 T C -3.274 171.408 174.700 -0.029 0.000 1.085 353 T CA -2.067 60.019 62.100 -0.024 0.000 1.052 353 T CB 1.942 70.794 68.868 -0.026 0.000 1.107 353 T HN -0.251 nan 8.240 nan 0.000 0.458 354 P HA 0.350 nan 4.420 nan 0.000 0.268 354 P C -0.724 176.548 177.300 -0.047 0.000 1.204 354 P CA -0.195 62.888 63.100 -0.029 0.000 0.768 354 P CB 0.496 32.184 31.700 -0.020 0.000 0.842 355 I N 4.885 125.417 120.570 -0.063 0.000 2.439 355 I HA 0.246 4.408 4.170 -0.014 0.000 0.283 355 I C -2.153 173.887 176.117 -0.128 0.000 1.023 355 I CA -2.844 58.399 61.300 -0.096 0.000 1.100 355 I CB 2.185 40.116 38.000 -0.115 0.000 1.238 355 I HN 0.113 nan 8.210 nan 0.000 0.445 356 P HA 0.083 nan 4.420 nan 0.000 0.268 356 P C -0.741 176.408 177.300 -0.252 0.000 1.204 356 P CA 0.009 63.017 63.100 -0.154 0.000 0.768 356 P CB 0.996 32.634 31.700 -0.104 0.000 0.842 357 C N 2.407 121.465 119.300 -0.403 0.000 2.888 357 C HA 0.856 5.308 4.460 -0.014 0.000 0.308 357 C C -0.043 174.562 174.990 -0.641 0.000 1.213 357 C CA -0.081 58.553 59.018 -0.640 0.000 1.461 357 C CB 1.801 28.853 27.740 -1.146 0.000 1.934 357 C HN 0.743 nan 8.230 nan 0.000 0.474 358 A N 1.342 123.965 122.820 -0.329 0.000 2.556 358 A HA 1.053 5.365 4.320 -0.014 0.000 0.294 358 A C -0.511 177.209 177.584 0.228 0.000 1.091 358 A CA 0.186 52.236 52.037 0.021 0.000 0.704 358 A CB 1.765 20.835 19.000 0.116 0.000 1.300 358 A HN 2.033 nan 8.150 nan 0.000 0.406 359 G N -0.714 108.348 108.800 0.437 0.000 2.355 359 G HA2 0.648 4.599 3.960 -0.014 0.000 0.296 359 G HA3 0.648 4.599 3.960 -0.014 0.000 0.296 359 G C -1.229 173.854 174.900 0.304 0.000 1.507 359 G CA 0.006 45.290 45.100 0.307 0.000 0.823 359 G HN 1.971 nan 8.290 nan 0.000 0.569 360 F N -0.749 119.271 119.950 0.117 0.000 2.629 360 F HA 0.944 5.462 4.527 -0.015 0.000 0.316 360 F C 0.168 175.941 175.800 -0.045 0.000 1.081 360 F CA -1.187 56.823 58.000 0.017 0.000 0.954 360 F CB 1.585 40.633 39.000 0.080 0.000 1.337 360 F HN 0.881 nan 8.300 nan 0.000 0.474 361 G N 0.436 109.417 108.800 0.302 0.000 2.420 361 G HA2 0.610 4.561 3.960 -0.014 0.000 0.331 361 G HA3 0.610 4.561 3.960 -0.014 0.000 0.331 361 G C -2.402 172.732 174.900 0.390 0.000 1.168 361 G CA -0.807 44.428 45.100 0.225 0.000 0.936 361 G HN 0.837 nan 8.290 nan 0.000 0.479 362 F N 1.989 122.046 119.950 0.179 0.000 2.828 362 F HA 0.506 5.024 4.527 -0.014 0.000 0.355 362 F C 0.707 176.623 175.800 0.193 0.000 1.200 362 F CA -0.877 57.249 58.000 0.209 0.000 1.062 362 F CB 1.261 40.444 39.000 0.306 0.000 1.351 362 F HN 0.766 nan 8.300 nan 0.000 0.504 363 G N 2.962 112.018 108.800 0.427 0.000 2.594 363 G HA2 0.076 4.028 3.960 -0.014 0.000 0.243 363 G HA3 0.076 4.028 3.960 -0.014 0.000 0.243 363 G C 0.354 175.597 174.900 0.570 0.000 1.229 363 G CA -0.085 45.286 45.100 0.453 0.000 0.843 363 G HN 0.753 nan 8.290 nan 0.000 0.578 364 D N -0.872 119.837 120.400 0.514 0.000 2.369 364 D HA 0.033 4.664 4.640 -0.014 0.000 0.211 364 D C 1.444 177.955 176.300 0.351 0.000 1.077 364 D CA -0.094 54.209 54.000 0.505 0.000 0.842 364 D CB -0.130 41.008 40.800 0.563 0.000 0.947 364 D HN 0.204 nan 8.370 nan 0.000 0.509 365 C N -0.512 118.951 119.300 0.271 0.000 2.742 365 C HA 0.148 4.600 4.460 -0.014 0.000 0.284 365 C C 2.718 177.748 174.990 0.066 0.000 1.481 365 C CA 0.094 59.206 59.018 0.158 0.000 1.809 365 C CB -0.437 27.377 27.740 0.122 0.000 1.991 365 C HN 0.158 nan 8.230 nan 0.000 0.660 366 V N 1.893 121.829 119.914 0.036 0.000 2.231 366 V HA -0.269 3.842 4.120 -0.014 0.000 0.250 366 V C 2.266 178.286 176.094 -0.124 0.000 1.058 366 V CA 2.575 64.832 62.300 -0.072 0.000 1.022 366 V CB -0.792 31.018 31.823 -0.022 0.000 0.640 366 V HN 0.569 nan 8.190 nan 0.000 0.445 367 I N -0.169 120.426 120.570 0.042 0.000 2.185 367 I HA -0.234 3.927 4.170 -0.014 0.000 0.246 367 I C 2.181 178.307 176.117 0.014 0.000 1.088 367 I CA 1.760 63.123 61.300 0.105 0.000 1.347 367 I CB -0.376 37.865 38.000 0.401 0.000 1.041 367 I HN 0.113 nan 8.210 nan 0.000 0.415 368 V N 0.577 120.505 119.914 0.024 0.000 2.379 368 V HA -0.237 3.875 4.120 -0.014 0.000 0.245 368 V C 2.405 178.443 176.094 -0.094 0.000 1.044 368 V CA 1.972 64.271 62.300 -0.001 0.000 1.036 368 V CB -0.822 31.029 31.823 0.047 0.000 0.664 368 V HN 0.454 nan 8.190 nan 0.000 0.453 369 E N -0.149 119.937 120.200 -0.191 0.000 2.147 369 E HA -0.296 4.046 4.350 -0.014 0.000 0.199 369 E C 2.108 178.451 176.600 -0.428 0.000 1.005 369 E CA 1.644 57.849 56.400 -0.326 0.000 0.810 369 E CB -0.221 29.166 29.700 -0.522 0.000 0.736 369 E HN 0.410 nan 8.360 nan 0.000 0.460 370 L N 0.620 121.542 121.223 -0.503 0.000 2.095 370 L HA -0.082 4.250 4.340 -0.014 0.000 0.204 370 L C 2.046 178.869 176.870 -0.079 0.000 1.080 370 L CA 1.356 56.012 54.840 -0.307 0.000 0.759 370 L CB -0.275 41.655 42.059 -0.215 0.000 0.914 370 L HN 0.074 nan 8.230 nan 0.000 0.439 371 L N -0.975 120.213 121.223 -0.058 0.000 2.083 371 L HA -0.213 4.119 4.340 -0.014 0.000 0.209 371 L C 2.589 179.451 176.870 -0.013 0.000 1.083 371 L CA 1.267 56.101 54.840 -0.011 0.000 0.752 371 L CB -0.507 41.558 42.059 0.010 0.000 0.899 371 L HN 0.363 nan 8.230 nan 0.000 0.433 372 Q N -0.523 119.261 119.800 -0.026 0.000 2.167 372 Q HA -0.217 4.114 4.340 -0.014 0.000 0.202 372 Q C 2.163 178.168 176.000 0.010 0.000 0.970 372 Q CA 1.182 56.977 55.803 -0.013 0.000 0.855 372 Q CB 0.063 28.791 28.738 -0.016 0.000 0.911 372 Q HN 0.404 nan 8.270 nan 0.000 0.438 373 E N 0.132 120.350 120.200 0.028 0.000 2.208 373 E HA -0.123 4.218 4.350 -0.014 0.000 0.193 373 E C 0.781 177.415 176.600 0.057 0.000 0.988 373 E CA 0.645 57.092 56.400 0.077 0.000 0.828 373 E CB 0.378 30.190 29.700 0.186 0.000 0.763 373 E HN 0.057 nan 8.360 nan 0.000 0.478 374 K N 0.562 120.984 120.400 0.038 0.000 2.410 374 K HA 0.126 4.437 4.320 -0.014 0.000 0.200 374 K C -0.101 176.505 176.600 0.010 0.000 1.023 374 K CA -0.162 56.140 56.287 0.025 0.000 1.149 374 K CB 0.295 32.809 32.500 0.024 0.000 0.859 374 K HN 0.090 nan 8.250 nan 0.000 0.514 375 R N 0.752 121.255 120.500 0.005 0.000 3.322 375 R HA -0.170 4.161 4.340 -0.014 0.000 0.253 375 R C 0.322 176.612 176.300 -0.017 0.000 0.987 375 R CA 0.305 56.400 56.100 -0.008 0.000 0.666 375 R CB -1.958 28.338 30.300 -0.006 0.000 1.072 375 R HN 0.213 nan 8.270 nan 0.000 0.447 376 L N -0.089 121.124 121.223 -0.018 0.000 2.808 376 L HA 0.209 4.541 4.340 -0.014 0.000 0.246 376 L C 0.716 177.552 176.870 -0.057 0.000 1.153 376 L CA 0.074 54.899 54.840 -0.024 0.000 0.956 376 L CB 0.442 42.502 42.059 0.001 0.000 1.270 376 L HN 0.204 nan 8.230 nan 0.000 0.528 377 L N 2.417 123.600 121.223 -0.068 0.000 2.784 377 L HA 0.308 4.640 4.340 -0.014 0.000 0.241 377 L C -1.957 174.845 176.870 -0.112 0.000 1.352 377 L CA -1.298 53.474 54.840 -0.113 0.000 0.911 377 L CB 0.775 42.794 42.059 -0.066 0.000 1.227 377 L HN -0.001 nan 8.230 nan 0.000 0.501 378 P HA 0.013 nan 4.420 nan 0.000 0.271 378 P C -0.451 176.782 177.300 -0.112 0.000 1.226 378 P CA -0.195 62.847 63.100 -0.096 0.000 0.765 378 P CB 0.921 32.569 31.700 -0.086 0.000 0.835 379 D N 3.214 123.565 120.400 -0.081 0.000 2.434 379 D HA 0.046 4.678 4.640 -0.014 0.000 0.252 379 D C -0.208 176.050 176.300 -0.071 0.000 1.185 379 D CA 0.217 54.173 54.000 -0.074 0.000 0.886 379 D CB 0.327 41.097 40.800 -0.049 0.000 1.148 379 D HN 0.278 nan 8.370 nan 0.000 0.483 380 I N 6.961 127.483 120.570 -0.080 0.000 2.306 380 I HA 0.184 4.346 4.170 -0.014 0.000 0.288 380 I C -1.771 174.326 176.117 -0.033 0.000 1.036 380 I CA -1.767 59.497 61.300 -0.060 0.000 1.221 380 I CB 1.609 39.566 38.000 -0.072 0.000 1.385 380 I HN 0.200 nan 8.210 nan 0.000 0.472 381 P HA 0.037 nan 4.420 nan 0.000 0.274 381 P C -0.430 176.904 177.300 0.057 0.000 1.237 381 P CA -0.117 62.987 63.100 0.008 0.000 0.793 381 P CB 0.526 32.220 31.700 -0.011 0.000 0.977 382 H N 0.357 119.396 119.070 -0.051 0.000 3.001 382 H HA 0.262 4.810 4.556 -0.014 0.000 0.334 382 H C -0.232 175.066 175.328 -0.049 0.000 1.034 382 H CA -0.604 55.415 56.048 -0.049 0.000 1.420 382 H CB 0.452 30.183 29.762 -0.052 0.000 1.405 382 H HN 0.262 nan 8.280 nan 0.000 0.593 383 V N 2.927 123.072 119.914 0.384 0.000 3.040 383 V HA 0.680 4.791 4.120 -0.014 0.000 0.312 383 V C -1.067 175.136 176.094 0.182 0.000 1.115 383 V CA -0.858 61.507 62.300 0.109 0.000 0.998 383 V CB 1.534 33.388 31.823 0.050 0.000 1.042 383 V HN 0.560 nan 8.190 nan 0.000 0.433 384 V N 1.418 121.347 119.914 0.025 0.000 2.841 384 V HA 0.497 4.609 4.120 -0.014 0.000 0.310 384 V C 0.515 176.629 176.094 0.033 0.000 1.090 384 V CA -0.170 62.171 62.300 0.069 0.000 0.930 384 V CB 2.132 33.992 31.823 0.061 0.000 1.014 384 V HN 1.033 nan 8.190 nan 0.000 0.425 385 D N 2.384 122.810 120.400 0.043 0.000 2.092 385 D HA -0.032 4.600 4.640 -0.014 0.000 0.193 385 D C 0.029 176.348 176.300 0.031 0.000 0.994 385 D CA 1.817 55.837 54.000 0.032 0.000 0.828 385 D CB 0.282 41.102 40.800 0.033 0.000 0.963 385 D HN 0.726 nan 8.370 nan 0.000 0.450 386 D N -0.758 119.665 120.400 0.038 0.000 2.732 386 D HA 0.350 4.982 4.640 -0.014 0.000 0.229 386 D C -0.742 175.586 176.300 0.047 0.000 1.152 386 D CA -0.527 53.497 54.000 0.041 0.000 0.854 386 D CB 3.100 43.925 40.800 0.042 0.000 1.590 386 D HN -0.276 nan 8.370 nan 0.000 0.468 387 V N 1.366 121.309 119.914 0.049 0.000 2.444 387 V HA 0.279 4.391 4.120 -0.014 0.000 0.294 387 V C -0.036 176.069 176.094 0.019 0.000 1.022 387 V CA -0.816 61.516 62.300 0.053 0.000 0.850 387 V CB 1.918 33.791 31.823 0.084 0.000 0.992 387 V HN 0.317 nan 8.190 nan 0.000 0.426 388 V N 6.742 126.657 119.914 0.002 0.000 2.348 388 V HA 0.406 4.518 4.120 -0.014 0.000 0.270 388 V C 0.078 176.134 176.094 -0.062 0.000 1.037 388 V CA -0.173 62.117 62.300 -0.017 0.000 0.872 388 V CB 1.037 32.856 31.823 -0.008 0.000 1.002 388 V HN 0.660 nan 8.190 nan 0.000 0.464 389 I N 8.483 129.005 120.570 -0.081 0.000 2.306 389 I HA 0.316 4.477 4.170 -0.014 0.000 0.288 389 I C -2.119 173.951 176.117 -0.078 0.000 1.036 389 I CA -1.963 59.257 61.300 -0.133 0.000 1.221 389 I CB 1.752 39.608 38.000 -0.241 0.000 1.385 389 I HN 0.394 nan 8.210 nan 0.000 0.472 390 P HA -0.014 nan 4.420 nan 0.000 0.276 390 P C 0.481 177.779 177.300 -0.003 0.000 1.235 390 P CA -0.063 63.013 63.100 -0.040 0.000 0.772 390 P CB 0.938 32.593 31.700 -0.075 0.000 0.871 391 F N 3.548 123.454 119.950 -0.073 0.000 2.075 391 F HA -0.180 4.339 4.527 -0.014 0.000 0.297 391 F C 0.586 176.358 175.800 -0.047 0.000 1.113 391 F CA 1.919 59.891 58.000 -0.046 0.000 1.218 391 F CB 0.075 39.068 39.000 -0.012 0.000 0.984 391 F HN 0.332 nan 8.300 nan 0.000 0.472 392 D N -2.135 118.366 120.400 0.169 0.000 2.614 392 D HA 0.175 4.807 4.640 -0.014 0.000 0.264 392 D C 0.528 176.834 176.300 0.010 0.000 1.092 392 D CA -0.513 53.505 54.000 0.030 0.000 1.071 392 D CB 0.127 41.005 40.800 0.131 0.000 1.443 392 D HN -0.127 nan 8.370 nan 0.000 0.528 393 E N -0.267 119.918 120.200 -0.025 0.000 2.268 393 E HA -0.126 4.216 4.350 -0.014 0.000 0.195 393 E C 1.797 178.364 176.600 -0.055 0.000 0.995 393 E CA 1.119 57.489 56.400 -0.050 0.000 0.836 393 E CB -0.294 29.373 29.700 -0.054 0.000 0.763 393 E HN 0.552 nan 8.360 nan 0.000 0.491 394 S N 0.392 116.076 115.700 -0.026 0.000 2.399 394 S HA -0.120 4.342 4.470 -0.014 0.000 0.231 394 S C 1.812 176.351 174.600 -0.102 0.000 1.022 394 S CA 0.763 58.935 58.200 -0.047 0.000 0.983 394 S CB -0.073 63.125 63.200 -0.003 0.000 0.803 394 S HN 0.078 nan 8.310 nan 0.000 0.480 395 M N 1.099 120.657 119.600 -0.070 0.000 2.562 395 M HA 0.205 4.676 4.480 -0.014 0.000 0.257 395 M C 2.101 178.272 176.300 -0.215 0.000 1.099 395 M CA 0.543 55.762 55.300 -0.134 0.000 1.099 395 M CB -1.192 31.379 32.600 -0.048 0.000 1.427 395 M HN 0.504 nan 8.290 nan 0.000 0.489 396 R N 1.399 121.797 120.500 -0.170 0.000 2.112 396 R HA -0.188 4.144 4.340 -0.014 0.000 0.242 396 R C -0.939 175.236 176.300 -0.209 0.000 1.137 396 R CA 2.126 58.129 56.100 -0.161 0.000 0.944 396 R CB -1.239 28.984 30.300 -0.127 0.000 0.857 396 R HN 0.176 nan 8.270 nan 0.000 0.435 397 P HA -0.114 nan 4.420 nan 0.000 0.218 397 P C 0.517 177.621 177.300 -0.327 0.000 1.149 397 P CA 1.238 64.159 63.100 -0.300 0.000 0.817 397 P CB -0.062 31.419 31.700 -0.365 0.000 0.785 398 H N -0.393 118.458 119.070 -0.364 0.000 2.363 398 H HA 0.087 4.635 4.556 -0.014 0.000 0.301 398 H C 2.029 177.091 175.328 -0.443 0.000 1.074 398 H CA 1.381 57.040 56.048 -0.648 0.000 1.354 398 H CB -1.130 27.703 29.762 -1.548 0.000 1.397 398 H HN 0.030 nan 8.280 nan 0.000 0.516 399 A N 1.583 124.267 122.820 -0.227 0.000 1.884 399 A HA -0.185 4.127 4.320 -0.014 0.000 0.219 399 A C 2.725 180.269 177.584 -0.067 0.000 1.197 399 A CA 1.705 53.668 52.037 -0.122 0.000 0.637 399 A CB -1.126 17.811 19.000 -0.106 0.000 0.827 399 A HN 0.295 nan 8.150 nan 0.000 0.450 400 L N -0.859 120.318 121.223 -0.076 0.000 2.013 400 L HA -0.273 4.059 4.340 -0.014 0.000 0.212 400 L C 3.143 180.014 176.870 0.001 0.000 1.073 400 L CA 1.305 56.122 54.840 -0.039 0.000 0.753 400 L CB -0.722 41.306 42.059 -0.052 0.000 0.890 400 L HN 0.469 nan 8.230 nan 0.000 0.432 401 A N -0.195 122.635 122.820 0.017 0.000 1.903 401 A HA -0.225 4.087 4.320 -0.014 0.000 0.219 401 A C 2.297 179.944 177.584 0.105 0.000 1.191 401 A CA 2.486 54.576 52.037 0.089 0.000 0.638 401 A CB -1.059 18.051 19.000 0.185 0.000 0.823 401 A HN 0.253 nan 8.150 nan 0.000 0.451 402 V N -0.597 119.377 119.914 0.099 0.000 2.427 402 V HA -0.189 3.923 4.120 -0.014 0.000 0.248 402 V C 2.443 178.579 176.094 0.071 0.000 1.051 402 V CA 1.734 64.102 62.300 0.115 0.000 1.048 402 V CB -0.855 31.039 31.823 0.118 0.000 0.666 402 V HN 0.567 nan 8.190 nan 0.000 0.456 403 L N 0.726 121.974 121.223 0.042 0.000 2.017 403 L HA -0.145 4.187 4.340 -0.014 0.000 0.208 403 L C 2.589 179.479 176.870 0.034 0.000 1.073 403 L CA 2.164 57.023 54.840 0.031 0.000 0.745 403 L CB -0.715 41.350 42.059 0.011 0.000 0.894 403 L HN 0.251 nan 8.230 nan 0.000 0.432 404 R N -0.021 120.500 120.500 0.035 0.000 2.096 404 R HA -0.219 4.113 4.340 -0.014 0.000 0.240 404 R C 2.523 178.848 176.300 0.041 0.000 1.139 404 R CA 2.082 58.203 56.100 0.035 0.000 0.952 404 R CB -0.608 29.715 30.300 0.037 0.000 0.854 404 R HN 0.409 nan 8.270 nan 0.000 0.436 405 R N -0.253 120.279 120.500 0.053 0.000 2.127 405 R HA -0.073 4.259 4.340 -0.014 0.000 0.238 405 R C 2.040 178.367 176.300 0.046 0.000 1.134 405 R CA 1.671 57.803 56.100 0.054 0.000 0.975 405 R CB -0.201 30.142 30.300 0.072 0.000 0.865 405 R HN 0.316 nan 8.270 nan 0.000 0.447 406 L N -0.660 120.591 121.223 0.046 0.000 2.068 406 L HA -0.032 4.300 4.340 -0.014 0.000 0.204 406 L C 2.532 179.422 176.870 0.034 0.000 1.076 406 L CA 1.060 55.924 54.840 0.040 0.000 0.753 406 L CB -0.351 41.734 42.059 0.042 0.000 0.910 406 L HN 0.120 nan 8.230 nan 0.000 0.439 407 R N 0.126 120.645 120.500 0.032 0.000 2.120 407 R HA -0.162 4.170 4.340 -0.014 0.000 0.234 407 R C 1.781 178.096 176.300 0.024 0.000 1.123 407 R CA 1.392 57.508 56.100 0.027 0.000 0.975 407 R CB -0.265 30.050 30.300 0.025 0.000 0.866 407 R HN 0.335 nan 8.270 nan 0.000 0.446 408 D N 0.481 120.897 120.400 0.026 0.000 2.117 408 D HA -0.085 4.547 4.640 -0.014 0.000 0.198 408 D C 1.376 177.689 176.300 0.022 0.000 0.982 408 D CA 1.358 55.373 54.000 0.024 0.000 0.828 408 D CB -0.142 40.674 40.800 0.026 0.000 0.967 408 D HN 0.217 nan 8.370 nan 0.000 0.464 409 A N -0.406 122.429 122.820 0.025 0.000 2.258 409 A HA 0.393 4.705 4.320 -0.014 0.000 0.206 409 A C 1.674 179.270 177.584 0.021 0.000 1.222 409 A CA 1.054 53.105 52.037 0.023 0.000 0.822 409 A CB -0.627 18.389 19.000 0.026 0.000 0.804 409 A HN 0.271 nan 8.150 nan 0.000 0.483 410 G N -0.893 107.920 108.800 0.021 0.000 2.143 410 G HA2 -0.254 3.697 3.960 -0.014 0.000 0.249 410 G HA3 -0.254 3.697 3.960 -0.014 0.000 0.249 410 G C 0.330 175.242 174.900 0.020 0.000 0.981 410 G CA 0.271 45.382 45.100 0.018 0.000 0.665 410 G HN 0.654 nan 8.290 nan 0.000 0.528 411 R N 0.395 120.910 120.500 0.024 0.000 2.577 411 R HA 0.550 4.882 4.340 -0.014 0.000 0.269 411 R C 0.669 176.987 176.300 0.030 0.000 1.084 411 R CA 0.341 56.457 56.100 0.027 0.000 1.163 411 R CB 0.859 31.178 30.300 0.031 0.000 1.100 411 R HN 0.521 nan 8.270 nan 0.000 0.547 412 S N 0.212 115.933 115.700 0.034 0.000 2.429 412 S HA 0.705 5.167 4.470 -0.014 0.000 0.302 412 S C -0.604 174.026 174.600 0.050 0.000 1.115 412 S CA -0.692 57.534 58.200 0.042 0.000 1.095 412 S CB 1.695 64.925 63.200 0.049 0.000 0.987 412 S HN 0.706 nan 8.310 nan 0.000 0.474 413 A N 2.394 125.245 122.820 0.051 0.000 2.587 413 A HA 0.831 5.143 4.320 -0.014 0.000 0.293 413 A C -1.389 176.230 177.584 0.057 0.000 1.087 413 A CA -0.675 51.393 52.037 0.052 0.000 0.692 413 A CB 1.784 20.809 19.000 0.043 0.000 1.291 413 A HN 0.774 nan 8.150 nan 0.000 0.407 414 D N -0.195 120.242 120.400 0.062 0.000 2.552 414 D HA 0.709 5.341 4.640 -0.014 0.000 0.239 414 D C -1.550 174.773 176.300 0.038 0.000 1.139 414 D CA -0.093 53.953 54.000 0.076 0.000 0.914 414 D CB 2.284 43.170 40.800 0.144 0.000 1.461 414 D HN 0.682 nan 8.370 nan 0.000 0.462 415 I N 1.172 121.740 120.570 -0.004 0.000 2.752 415 I HA 0.282 4.444 4.170 -0.014 0.000 0.295 415 I C -1.173 174.846 176.117 -0.163 0.000 1.219 415 I CA -0.827 60.433 61.300 -0.066 0.000 1.030 415 I CB 1.624 39.591 38.000 -0.055 0.000 1.259 415 I HN 0.200 nan 8.210 nan 0.000 0.423 416 I N 7.669 128.109 120.570 -0.218 0.000 2.587 416 I HA 0.052 4.214 4.170 -0.014 0.000 0.284 416 I C 0.861 176.845 176.117 -0.222 0.000 1.134 416 I CA 0.370 61.479 61.300 -0.318 0.000 1.410 416 I CB 0.524 38.351 38.000 -0.288 0.000 1.392 416 I HN 0.711 nan 8.210 nan 0.000 0.545 417 L N 3.582 124.671 121.223 -0.224 0.000 2.286 417 L HA 0.142 4.473 4.340 -0.014 0.000 0.203 417 L C 0.591 177.385 176.870 -0.125 0.000 1.068 417 L CA 0.455 55.207 54.840 -0.146 0.000 0.811 417 L CB -0.143 41.844 42.059 -0.119 0.000 0.989 417 L HN 0.459 nan 8.230 nan 0.000 0.467 418 D N 0.977 121.295 120.400 -0.136 0.000 2.312 418 D HA 0.098 4.730 4.640 -0.014 0.000 0.248 418 D C -0.080 176.151 176.300 -0.114 0.000 1.086 418 D CA -0.265 53.671 54.000 -0.107 0.000 0.948 418 D CB 0.989 41.735 40.800 -0.091 0.000 1.162 418 D HN -0.120 nan 8.370 nan 0.000 0.446 419 K N 1.648 121.992 120.400 -0.092 0.000 2.419 419 K HA 0.034 4.346 4.320 -0.014 0.000 0.282 419 K C -0.440 176.102 176.600 -0.097 0.000 1.056 419 K CA 0.223 56.454 56.287 -0.093 0.000 1.035 419 K CB 0.022 32.479 32.500 -0.073 0.000 0.921 419 K HN 0.404 nan 8.250 nan 0.000 0.472 420 K N 2.988 123.318 120.400 -0.116 0.000 2.536 420 K HA 0.368 4.680 4.320 -0.014 0.000 0.269 420 K C -0.972 175.552 176.600 -0.127 0.000 0.965 420 K CA -1.329 54.893 56.287 -0.108 0.000 0.860 420 K CB 1.011 33.450 32.500 -0.103 0.000 1.423 420 K HN 0.129 nan 8.250 nan 0.000 0.438 421 K N 0.776 121.114 120.400 -0.104 0.000 2.187 421 K HA 0.059 4.371 4.320 -0.014 0.000 0.247 421 K C 1.374 177.901 176.600 -0.122 0.000 1.019 421 K CA -0.049 56.169 56.287 -0.114 0.000 0.893 421 K CB 0.784 33.240 32.500 -0.072 0.000 1.025 421 K HN 0.542 nan 8.250 nan 0.000 0.500 422 V N 0.946 120.785 119.914 -0.124 0.000 2.358 422 V HA -0.203 3.909 4.120 -0.014 0.000 0.246 422 V C 2.406 178.517 176.094 0.028 0.000 1.047 422 V CA 1.355 63.588 62.300 -0.111 0.000 1.035 422 V CB -0.578 31.224 31.823 -0.035 0.000 0.658 422 V HN 0.468 nan 8.190 nan 0.000 0.452 423 V N -0.102 119.878 119.914 0.111 0.000 2.231 423 V HA -0.387 3.724 4.120 -0.014 0.000 0.248 423 V C 2.599 178.769 176.094 0.126 0.000 1.054 423 V CA 2.483 64.895 62.300 0.187 0.000 1.015 423 V CB -0.905 30.977 31.823 0.098 0.000 0.638 423 V HN 0.537 nan 8.190 nan 0.000 0.444 424 Q N -0.400 119.423 119.800 0.039 0.000 2.156 424 Q HA -0.309 4.023 4.340 -0.014 0.000 0.211 424 Q C 2.375 178.385 176.000 0.016 0.000 0.995 424 Q CA 2.174 57.992 55.803 0.024 0.000 0.877 424 Q CB -0.539 28.190 28.738 -0.015 0.000 0.920 424 Q HN 0.711 nan 8.270 nan 0.000 0.416 425 A N 0.469 123.238 122.820 -0.085 0.000 1.859 425 A HA -0.221 4.091 4.320 -0.014 0.000 0.217 425 A C 1.795 179.310 177.584 -0.115 0.000 1.198 425 A CA 1.751 53.681 52.037 -0.178 0.000 0.629 425 A CB -1.012 17.757 19.000 -0.386 0.000 0.830 425 A HN 0.365 nan 8.150 nan 0.000 0.446 426 F N 0.551 120.520 119.950 0.032 0.000 2.171 426 F HA -0.179 4.340 4.527 -0.014 0.000 0.300 426 F C 2.179 177.997 175.800 0.030 0.000 1.090 426 F CA 1.654 59.672 58.000 0.029 0.000 1.293 426 F CB -0.932 38.073 39.000 0.009 0.000 1.013 426 F HN 0.255 nan 8.300 nan 0.000 0.486 427 N N -0.825 117.997 118.700 0.203 0.000 2.069 427 N HA -0.259 4.473 4.740 -0.014 0.000 0.191 427 N C 1.749 177.316 175.510 0.095 0.000 1.031 427 N CA 1.494 54.616 53.050 0.120 0.000 0.852 427 N CB -0.834 37.707 38.487 0.091 0.000 1.018 427 N HN 0.283 nan 8.380 nan 0.000 0.423 428 Y N 1.356 121.651 120.300 -0.009 0.000 2.128 428 Y HA -0.227 4.315 4.550 -0.014 0.000 0.284 428 Y C 2.279 178.157 175.900 -0.036 0.000 1.154 428 Y CA 1.689 59.769 58.100 -0.034 0.000 1.149 428 Y CB -0.612 37.814 38.460 -0.056 0.000 0.976 428 Y HN 0.099 nan 8.280 nan 0.000 0.505 429 A N 0.360 123.250 122.820 0.117 0.000 1.884 429 A HA -0.287 4.025 4.320 -0.014 0.000 0.219 429 A C 2.059 179.612 177.584 -0.051 0.000 1.197 429 A CA 2.298 54.361 52.037 0.044 0.000 0.637 429 A CB -1.099 17.973 19.000 0.120 0.000 0.827 429 A HN 0.603 nan 8.150 nan 0.000 0.450 430 D N -0.763 119.630 120.400 -0.012 0.000 2.123 430 D HA -0.154 4.478 4.640 -0.014 0.000 0.196 430 D C 2.178 178.406 176.300 -0.119 0.000 0.992 430 D CA 1.242 55.215 54.000 -0.045 0.000 0.833 430 D CB -0.288 40.506 40.800 -0.010 0.000 0.954 430 D HN 0.240 nan 8.370 nan 0.000 0.455 431 R N 0.848 121.243 120.500 -0.174 0.000 2.070 431 R HA -0.091 4.241 4.340 -0.014 0.000 0.232 431 R C 2.553 178.671 176.300 -0.304 0.000 1.138 431 R CA 0.831 56.797 56.100 -0.223 0.000 0.936 431 R CB -1.694 28.451 30.300 -0.259 0.000 0.839 431 R HN 0.307 nan 8.270 nan 0.000 0.429 432 V N -1.493 118.137 119.914 -0.474 0.000 3.444 432 V HA 0.257 4.369 4.120 -0.014 0.000 0.271 432 V C 0.939 176.767 176.094 -0.444 0.000 1.188 432 V CA 0.614 62.585 62.300 -0.548 0.000 1.168 432 V CB -1.147 30.287 31.823 -0.648 0.000 0.810 432 V HN 0.487 nan 8.190 nan 0.000 0.500 433 G N 0.199 108.840 108.800 -0.266 0.000 2.351 433 G HA2 0.013 3.964 3.960 -0.014 0.000 0.297 433 G HA3 0.013 3.964 3.960 -0.014 0.000 0.297 433 G C 0.157 174.982 174.900 -0.125 0.000 1.054 433 G CA 0.200 45.200 45.100 -0.166 0.000 1.123 433 G HN 1.723 nan 8.290 nan 0.000 0.512 434 A N -0.297 122.467 122.820 -0.094 0.000 2.354 434 A HA 0.722 5.034 4.320 -0.014 0.000 0.269 434 A C 1.434 179.011 177.584 -0.013 0.000 1.109 434 A CA 0.298 52.311 52.037 -0.040 0.000 0.800 434 A CB 1.233 20.228 19.000 -0.007 0.000 1.045 434 A HN 1.095 nan 8.150 nan 0.000 0.489 435 V N 1.877 121.791 119.914 0.000 0.000 2.719 435 V HA 0.067 4.179 4.120 -0.014 0.000 0.252 435 V C 1.215 177.319 176.094 0.017 0.000 1.065 435 V CA 1.897 64.201 62.300 0.007 0.000 1.086 435 V CB -0.691 31.138 31.823 0.010 0.000 0.700 435 V HN 0.839 nan 8.190 nan 0.000 0.467 436 R N -0.486 120.032 120.500 0.030 0.000 2.604 436 R HA 0.616 4.948 4.340 -0.014 0.000 0.270 436 R C -1.517 174.822 176.300 0.065 0.000 1.052 436 R CA -0.179 55.948 56.100 0.045 0.000 0.902 436 R CB 1.834 32.157 30.300 0.039 0.000 1.233 436 R HN 0.121 nan 8.270 nan 0.000 0.455 437 A N 3.575 126.454 122.820 0.099 0.000 2.273 437 A HA 0.487 4.799 4.320 -0.014 0.000 0.315 437 A C -0.867 176.781 177.584 0.106 0.000 1.256 437 A CA -0.573 51.533 52.037 0.116 0.000 0.851 437 A CB 1.310 20.453 19.000 0.237 0.000 1.172 437 A HN 0.363 nan 8.150 nan 0.000 0.508 438 V N 4.527 124.481 119.914 0.067 0.000 2.288 438 V HA 0.198 4.309 4.120 -0.014 0.000 0.266 438 V C -0.158 175.969 176.094 0.056 0.000 1.048 438 V CA -0.436 61.908 62.300 0.073 0.000 0.842 438 V CB 0.528 32.392 31.823 0.067 0.000 1.064 438 V HN 0.783 nan 8.190 nan 0.000 0.472 439 L N 6.824 128.098 121.223 0.084 0.000 2.331 439 L HA 0.441 4.773 4.340 -0.014 0.000 0.278 439 L C 0.055 176.995 176.870 0.116 0.000 1.106 439 L CA 0.405 55.293 54.840 0.079 0.000 0.824 439 L CB 1.472 43.612 42.059 0.135 0.000 1.142 439 L HN 0.390 nan 8.230 nan 0.000 0.443 440 V N 6.773 126.746 119.914 0.099 0.000 2.240 440 V HA 0.642 4.753 4.120 -0.014 0.000 0.265 440 V C 0.597 176.760 176.094 0.114 0.000 1.073 440 V CA -0.170 62.188 62.300 0.098 0.000 0.857 440 V CB 0.063 31.890 31.823 0.007 0.000 1.114 440 V HN 0.984 nan 8.190 nan 0.000 0.469 441 A N 6.877 129.768 122.820 0.118 0.000 2.269 441 A HA 0.881 5.193 4.320 -0.014 0.000 0.319 441 A C -1.626 175.935 177.584 -0.037 0.000 1.110 441 A CA -1.551 50.473 52.037 -0.022 0.000 0.847 441 A CB 1.161 20.101 19.000 -0.101 0.000 1.161 441 A HN 0.520 nan 8.150 nan 0.000 0.497 442 P HA -0.018 nan 4.420 nan 0.000 0.216 442 P C 1.175 178.480 177.300 0.007 0.000 1.154 442 P CA 1.060 64.139 63.100 -0.036 0.000 0.857 442 P CB 0.128 31.760 31.700 -0.113 0.000 0.787 443 E N 0.042 120.191 120.200 -0.086 0.000 2.086 443 E HA -0.260 4.082 4.350 -0.014 0.000 0.200 443 E C 1.789 178.388 176.600 -0.002 0.000 1.012 443 E CA 1.471 57.844 56.400 -0.044 0.000 0.812 443 E CB -0.113 29.546 29.700 -0.068 0.000 0.743 443 E HN 0.090 nan 8.360 nan 0.000 0.453 444 E N 0.244 120.455 120.200 0.019 0.000 2.047 444 E HA -0.159 4.183 4.350 -0.014 0.000 0.191 444 E C 1.444 178.084 176.600 0.066 0.000 0.987 444 E CA 1.039 57.466 56.400 0.045 0.000 0.799 444 E CB -0.602 29.144 29.700 0.076 0.000 0.752 444 E HN 0.478 nan 8.360 nan 0.000 0.449 445 W N 1.730 122.987 121.300 -0.072 0.000 2.321 445 W HA -0.233 4.419 4.660 -0.014 0.000 0.306 445 W C 1.711 178.162 176.519 -0.114 0.000 1.217 445 W CA 1.564 58.849 57.345 -0.100 0.000 1.257 445 W CB 0.079 29.463 29.460 -0.128 0.000 1.145 445 W HN 0.112 nan 8.180 nan 0.000 0.509 446 E N 0.876 121.061 120.200 -0.025 0.000 2.077 446 E HA -0.205 4.136 4.350 -0.014 0.000 0.193 446 E C 1.896 178.385 176.600 -0.185 0.000 0.989 446 E CA 1.309 57.639 56.400 -0.117 0.000 0.800 446 E CB -0.362 29.329 29.700 -0.016 0.000 0.746 446 E HN 0.374 nan 8.360 nan 0.000 0.452 447 R N -0.390 120.031 120.500 -0.131 0.000 2.328 447 R HA 0.077 4.409 4.340 -0.014 0.000 0.206 447 R C 0.918 177.107 176.300 -0.184 0.000 0.990 447 R CA 0.500 56.523 56.100 -0.128 0.000 1.085 447 R CB -0.318 29.938 30.300 -0.074 0.000 0.998 447 R HN 0.170 nan 8.270 nan 0.000 0.484 448 G N 1.794 110.398 108.800 -0.326 0.000 2.350 448 G HA2 -0.296 3.656 3.960 -0.014 0.000 0.298 448 G HA3 -0.296 3.656 3.960 -0.014 0.000 0.298 448 G C -0.496 174.262 174.900 -0.237 0.000 1.037 448 G CA 0.383 45.235 45.100 -0.414 0.000 1.074 448 G HN 0.465 nan 8.290 nan 0.000 0.511 449 E N -2.101 118.013 120.200 -0.143 0.000 2.449 449 E HA 0.703 5.045 4.350 -0.014 0.000 0.278 449 E C -0.171 176.493 176.600 0.107 0.000 0.992 449 E CA -0.698 55.696 56.400 -0.010 0.000 0.807 449 E CB 2.684 32.386 29.700 0.002 0.000 1.350 449 E HN 0.850 nan 8.360 nan 0.000 0.462 450 V N -1.962 118.025 119.914 0.123 0.000 3.102 450 V HA 0.525 4.636 4.120 -0.014 0.000 0.312 450 V C -1.081 175.090 176.094 0.127 0.000 1.135 450 V CA -0.948 61.447 62.300 0.158 0.000 1.022 450 V CB 1.876 33.807 31.823 0.180 0.000 1.056 450 V HN 0.626 nan 8.190 nan 0.000 0.436 451 Q N 1.023 120.905 119.800 0.136 0.000 2.274 451 Q HA 0.692 5.024 4.340 -0.014 0.000 0.256 451 Q C -1.165 174.913 176.000 0.130 0.000 0.927 451 Q CA -0.460 55.426 55.803 0.138 0.000 0.939 451 Q CB 2.033 30.867 28.738 0.161 0.000 1.201 451 Q HN 0.706 nan 8.270 nan 0.000 0.426 452 V N 3.879 123.858 119.914 0.108 0.000 2.448 452 V HA 0.368 4.480 4.120 -0.014 0.000 0.295 452 V C -0.549 175.580 176.094 0.058 0.000 1.025 452 V CA -0.590 61.762 62.300 0.087 0.000 0.859 452 V CB 1.872 33.735 31.823 0.066 0.000 0.988 452 V HN 0.584 nan 8.190 nan 0.000 0.431 453 K N 5.683 126.131 120.400 0.080 0.000 2.292 453 K HA 0.593 4.905 4.320 -0.014 0.000 0.257 453 K C -0.942 175.672 176.600 0.023 0.000 0.940 453 K CA -0.781 55.523 56.287 0.028 0.000 0.811 453 K CB 1.327 33.865 32.500 0.062 0.000 1.120 453 K HN 0.495 nan 8.250 nan 0.000 0.428 454 M N 5.447 125.031 119.600 -0.027 0.000 2.233 454 M HA 0.372 4.844 4.480 -0.014 0.000 0.355 454 M C -0.274 176.013 176.300 -0.022 0.000 1.191 454 M CA -0.481 54.809 55.300 -0.017 0.000 1.101 454 M CB 0.762 33.341 32.600 -0.035 0.000 1.592 454 M HN 0.545 nan 8.290 nan 0.000 0.461 471 A N 0.947 123.931 122.820 0.274 0.000 2.365 471 A HA 0.804 5.116 4.320 -0.014 0.000 0.318 471 A C -1.670 175.984 177.584 0.117 0.000 1.091 471 A CA -0.535 51.593 52.037 0.151 0.000 0.763 471 A CB 1.677 20.741 19.000 0.106 0.000 1.248 471 A HN 0.231 nan 8.150 nan 0.000 0.442 472 V N 3.435 123.402 119.914 0.089 0.000 2.841 472 V HA 0.560 4.671 4.120 -0.014 0.000 0.310 472 V C -2.492 173.630 176.094 0.046 0.000 1.090 472 V CA -1.567 60.775 62.300 0.069 0.000 0.930 472 V CB 2.509 34.376 31.823 0.072 0.000 1.014 472 V HN 0.857 nan 8.190 nan 0.000 0.425 473 P HA 0.260 nan 4.420 nan 0.000 0.278 473 P C 0.573 177.876 177.300 0.006 0.000 1.238 473 P CA -0.326 62.772 63.100 -0.003 0.000 0.794 473 P CB 1.455 33.147 31.700 -0.013 0.000 0.955 474 L N 2.041 123.255 121.223 -0.015 0.000 2.189 474 L HA -0.192 4.140 4.340 -0.014 0.000 0.214 474 L C 2.009 178.889 176.870 0.017 0.000 1.097 474 L CA 1.972 56.820 54.840 0.012 0.000 0.764 474 L CB -1.169 40.877 42.059 -0.022 0.000 0.900 474 L HN 0.517 nan 8.230 nan 0.000 0.436 475 D N -1.085 119.315 120.400 0.001 0.000 2.355 475 D HA -0.123 4.509 4.640 -0.014 0.000 0.218 475 D C 1.478 177.787 176.300 0.015 0.000 1.004 475 D CA 0.407 54.411 54.000 0.006 0.000 0.880 475 D CB 0.098 40.895 40.800 -0.005 0.000 0.911 475 D HN 0.366 nan 8.370 nan 0.000 0.528 476 R N -0.038 120.473 120.500 0.019 0.000 2.543 476 R HA 0.326 4.657 4.340 -0.014 0.000 0.323 476 R C 1.843 178.163 176.300 0.032 0.000 1.002 476 R CA -0.209 55.905 56.100 0.023 0.000 1.106 476 R CB 0.468 30.781 30.300 0.021 0.000 1.280 476 R HN 0.121 nan 8.270 nan 0.000 0.549 477 L N 0.459 121.705 121.223 0.038 0.000 2.217 477 L HA 0.008 4.340 4.340 -0.014 0.000 0.211 477 L C 0.692 177.584 176.870 0.037 0.000 1.107 477 L CA 0.811 55.677 54.840 0.044 0.000 0.783 477 L CB -0.069 42.023 42.059 0.055 0.000 0.919 477 L HN -0.058 nan 8.230 nan 0.000 0.442 478 V N 0.000 119.934 119.914 0.033 0.000 2.409 478 V HA 0.000 4.112 4.120 -0.014 0.000 0.244 478 V CA 0.000 62.316 62.300 0.027 0.000 1.235 478 V CB 0.000 31.840 31.823 0.028 0.000 1.184 478 V HN 0.000 nan 8.190 nan 0.000 0.556