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 3ilw_1_A DATA FIRST_RESID 37 DATA SEQUENCE VGRALPEVRD GLKPVHRRVL YAMFDSGFRP DRSHAKSARS VAETMGNYHP DATA SEQUENCE HGDASIYDSL VRMAQPWSLR YPLVDGQGNF GSPGNDPPAA MRYTEARLTP DATA SEQUENCE LAMEMLREID EETVDFIPNY DGRVQEPTVL PSRFPNLLAN GSGGIAVGMA DATA SEQUENCE TNIPPHNLRE LADAVFWALE NHDADEEETL AAVMGRVKGP DFPTAGLIVG DATA SEQUENCE SQGTADAYKT GRGSIRMRGV VEVEEDSRGR TSLVITELPY QVNHDNFITS DATA SEQUENCE IAEQVRDGKL AGISNIEDQS SDRVGLRIVI EIKRDAVAKV VINNLYKHTQ DATA SEQUENCE LQTSFGANML AIVDGVPRTL RLDQLIRYYV DHQLDVIVRR TTYRLRKANE DATA SEQUENCE RAHILRGLVK ALDALDEVIA LIRASETVDI ARAGLIELLD IDEIQAQAIL DATA SEQUENCE DMQLRRLAAL ERQRIIDDLA KIEAEIADLE DILAKPERQR GIVRDELAEI DATA SEQUENCE VDRHGDDRRT RIIA 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 37 V HA 0.000 nan 4.120 nan 0.000 0.244 37 V C 0.000 176.091 176.094 -0.005 0.000 1.182 37 V CA 0.000 62.297 62.300 -0.004 0.000 1.235 37 V CB 0.000 31.820 31.823 -0.005 0.000 1.184 38 G N 0.117 108.913 108.800 -0.007 0.000 2.479 38 G HA2 -0.241 3.719 3.960 0.000 0.000 0.220 38 G HA3 -0.241 3.719 3.960 0.000 0.000 0.220 38 G C 1.351 176.249 174.900 -0.004 0.000 1.115 38 G CA 1.329 46.423 45.100 -0.009 0.000 0.757 38 G HN 0.459 nan 8.290 nan 0.000 0.560 39 R N -0.298 120.200 120.500 -0.003 0.000 2.240 39 R HA 0.282 4.622 4.340 0.000 0.000 0.203 39 R C 2.509 178.816 176.300 0.011 0.000 1.011 39 R CA 0.818 56.917 56.100 -0.002 0.000 1.007 39 R CB 0.081 30.374 30.300 -0.011 0.000 0.911 39 R HN 0.332 nan 8.270 nan 0.000 0.468 40 A N -0.316 122.509 122.820 0.008 0.000 2.167 40 A HA 0.289 4.609 4.320 0.000 0.000 0.208 40 A C 0.414 178.006 177.584 0.014 0.000 1.198 40 A CA 0.048 52.092 52.037 0.012 0.000 0.863 40 A CB 0.580 19.583 19.000 0.004 0.000 0.904 40 A HN 0.054 nan 8.150 nan 0.000 0.484 41 L N 1.554 122.782 121.223 0.009 0.000 2.365 41 L HA 0.415 4.755 4.340 0.000 0.000 0.273 41 L C -2.615 174.255 176.870 -0.001 0.000 1.000 41 L CA -2.359 52.484 54.840 0.004 0.000 0.819 41 L CB 2.317 44.373 42.059 -0.004 0.000 1.284 41 L HN 0.021 nan 8.230 nan 0.000 0.418 42 P HA 0.084 nan 4.420 nan 0.000 0.274 42 P C -0.822 176.455 177.300 -0.038 0.000 1.231 42 P CA -0.412 62.678 63.100 -0.016 0.000 0.790 42 P CB 1.113 32.805 31.700 -0.013 0.000 0.951 43 E N 1.656 121.821 120.200 -0.059 0.000 2.360 43 E HA 0.008 4.358 4.350 0.000 0.000 0.269 43 E C 0.653 177.196 176.600 -0.094 0.000 1.022 43 E CA -0.118 56.228 56.400 -0.091 0.000 0.887 43 E CB 0.557 30.187 29.700 -0.115 0.000 0.990 43 E HN 0.125 nan 8.360 nan 0.000 0.426 44 V N 5.532 125.382 119.914 -0.107 0.000 2.626 44 V HA -0.159 3.961 4.120 0.000 0.000 0.252 44 V C 1.822 177.888 176.094 -0.048 0.000 1.067 44 V CA 1.996 64.256 62.300 -0.066 0.000 1.081 44 V CB -0.307 31.462 31.823 -0.090 0.000 0.686 44 V HN 0.713 nan 8.190 nan 0.000 0.468 45 R N 0.732 121.145 120.500 -0.145 0.000 2.093 45 R HA -0.046 4.294 4.340 0.000 0.000 0.224 45 R C 1.600 177.835 176.300 -0.109 0.000 1.101 45 R CA 1.642 57.613 56.100 -0.214 0.000 0.979 45 R CB -0.197 29.692 30.300 -0.686 0.000 0.877 45 R HN 0.761 nan 8.270 nan 0.000 0.441 46 D N -2.257 118.053 120.400 -0.150 0.000 2.500 46 D HA 0.100 4.740 4.640 0.000 0.000 0.217 46 D C 0.982 177.209 176.300 -0.121 0.000 1.159 46 D CA 0.514 54.447 54.000 -0.111 0.000 0.828 46 D CB 0.564 41.292 40.800 -0.121 0.000 1.039 46 D HN 0.188 nan 8.370 nan 0.000 0.512 47 G N 0.613 109.355 108.800 -0.097 0.000 2.155 47 G HA2 -0.267 3.693 3.960 0.000 0.000 0.257 47 G HA3 -0.267 3.693 3.960 0.000 0.000 0.257 47 G C -0.027 174.829 174.900 -0.073 0.000 0.983 47 G CA 0.723 45.776 45.100 -0.078 0.000 0.676 47 G HN 0.418 nan 8.290 nan 0.000 0.528 48 L N -0.868 120.313 121.223 -0.071 0.000 2.332 48 L HA 0.683 5.023 4.340 0.000 0.000 0.269 48 L C 0.663 177.531 176.870 -0.002 0.000 1.016 48 L CA -1.084 53.732 54.840 -0.039 0.000 0.809 48 L CB 1.515 43.557 42.059 -0.029 0.000 1.280 48 L HN -0.013 nan 8.230 nan 0.000 0.447 49 K N 0.947 121.398 120.400 0.086 0.000 2.185 49 K HA 0.363 4.683 4.320 0.000 0.000 0.240 49 K C -1.846 174.787 176.600 0.055 0.000 0.983 49 K CA -1.620 54.719 56.287 0.087 0.000 0.873 49 K CB 1.549 34.148 32.500 0.165 0.000 1.118 49 K HN 0.152 nan 8.250 nan 0.000 0.441 50 P HA -0.206 nan 4.420 nan 0.000 0.216 50 P C 1.353 178.610 177.300 -0.071 0.000 1.153 50 P CA 0.773 63.853 63.100 -0.034 0.000 0.858 50 P CB 0.225 31.915 31.700 -0.017 0.000 0.789 51 V N -0.633 119.183 119.914 -0.165 0.000 2.427 51 V HA -0.241 3.879 4.120 0.000 0.000 0.248 51 V C 2.222 178.163 176.094 -0.255 0.000 1.051 51 V CA 1.943 64.060 62.300 -0.305 0.000 1.048 51 V CB -1.040 30.483 31.823 -0.499 0.000 0.666 51 V HN 0.194 nan 8.190 nan 0.000 0.456 52 H N -0.197 118.840 119.070 -0.054 0.000 2.363 52 H HA -0.081 4.476 4.556 0.000 0.000 0.301 52 H C 2.428 177.743 175.328 -0.022 0.000 1.074 52 H CA 1.831 57.863 56.048 -0.026 0.000 1.354 52 H CB -0.166 29.582 29.762 -0.023 0.000 1.397 52 H HN 0.375 nan 8.280 nan 0.000 0.516 53 R N 1.259 121.801 120.500 0.069 0.000 2.091 53 R HA -0.108 4.232 4.340 0.000 0.000 0.238 53 R C 2.391 178.673 176.300 -0.030 0.000 1.136 53 R CA 1.206 57.300 56.100 -0.009 0.000 0.959 53 R CB 0.079 30.334 30.300 -0.074 0.000 0.856 53 R HN 0.213 nan 8.270 nan 0.000 0.437 54 R N -0.503 119.968 120.500 -0.048 0.000 2.075 54 R HA -0.062 4.278 4.340 0.000 0.000 0.232 54 R C 2.291 178.620 176.300 0.049 0.000 1.126 54 R CA 1.356 57.413 56.100 -0.071 0.000 0.963 54 R CB -0.208 30.106 30.300 0.022 0.000 0.858 54 R HN 0.087 nan 8.270 nan 0.000 0.435 55 V N 1.526 121.484 119.914 0.073 0.000 2.295 55 V HA -0.246 3.874 4.120 0.000 0.000 0.246 55 V C 2.276 178.454 176.094 0.139 0.000 1.049 55 V CA 1.732 64.108 62.300 0.126 0.000 1.024 55 V CB -0.402 31.486 31.823 0.108 0.000 0.648 55 V HN 0.281 nan 8.190 nan 0.000 0.447 56 L N -1.459 119.836 121.223 0.119 0.000 2.046 56 L HA -0.216 4.124 4.340 0.000 0.000 0.208 56 L C 2.506 179.459 176.870 0.138 0.000 1.077 56 L CA 1.992 56.907 54.840 0.126 0.000 0.747 56 L CB -0.754 41.361 42.059 0.092 0.000 0.896 56 L HN 0.375 nan 8.230 nan 0.000 0.432 57 Y N 0.810 121.100 120.300 -0.017 0.000 2.181 57 Y HA -0.271 4.279 4.550 0.000 0.000 0.288 57 Y C 2.489 178.447 175.900 0.096 0.000 1.146 57 Y CA 1.122 59.209 58.100 -0.020 0.000 1.164 57 Y CB -0.339 37.990 38.460 -0.219 0.000 0.982 57 Y HN 0.109 nan 8.280 nan 0.000 0.515 58 A N 0.162 123.010 122.820 0.047 0.000 1.877 58 A HA -0.227 4.093 4.320 0.000 0.000 0.216 58 A C 2.336 179.906 177.584 -0.023 0.000 1.186 58 A CA 2.098 54.206 52.037 0.120 0.000 0.620 58 A CB -0.796 18.386 19.000 0.303 0.000 0.822 58 A HN 0.558 nan 8.150 nan 0.000 0.443 59 M N -2.175 117.464 119.600 0.064 0.000 2.086 59 M HA -0.094 4.386 4.480 0.000 0.000 0.261 59 M C 2.167 178.437 176.300 -0.050 0.000 1.067 59 M CA 1.876 57.222 55.300 0.077 0.000 1.116 59 M CB -0.459 32.291 32.600 0.249 0.000 1.348 59 M HN 0.538 nan 8.290 nan 0.000 0.407 60 F N 1.415 121.275 119.950 -0.150 0.000 2.102 60 F HA -0.258 4.269 4.527 0.000 0.000 0.298 60 F C 1.987 177.623 175.800 -0.275 0.000 1.105 60 F CA 2.218 60.117 58.000 -0.168 0.000 1.239 60 F CB -0.351 38.567 39.000 -0.137 0.000 0.991 60 F HN 0.150 nan 8.300 nan 0.000 0.474 61 D N -0.757 119.458 120.400 -0.308 0.000 2.264 61 D HA -0.121 4.519 4.640 0.000 0.000 0.208 61 D C 1.898 177.973 176.300 -0.376 0.000 0.966 61 D CA 1.264 55.038 54.000 -0.377 0.000 0.864 61 D CB -0.078 40.483 40.800 -0.399 0.000 0.933 61 D HN 0.237 nan 8.370 nan 0.000 0.499 62 S N -1.188 114.217 115.700 -0.493 0.000 2.562 62 S HA 0.237 4.707 4.470 0.000 0.000 0.221 62 S C 1.521 175.678 174.600 -0.737 0.000 0.975 62 S CA 0.577 58.337 58.200 -0.733 0.000 0.918 62 S CB 0.385 62.773 63.200 -1.354 0.000 0.772 62 S HN 0.522 nan 8.310 nan 0.000 0.531 63 G N 1.453 109.937 108.800 -0.526 0.000 2.137 63 G HA2 -0.230 3.730 3.960 0.000 0.000 0.237 63 G HA3 -0.230 3.730 3.960 0.000 0.000 0.237 63 G C -0.108 174.778 174.900 -0.023 0.000 1.002 63 G CA -0.401 44.527 45.100 -0.286 0.000 0.702 63 G HN 0.418 nan 8.290 nan 0.000 0.515 64 F N 2.005 121.920 119.950 -0.059 0.000 2.661 64 F HA 0.442 4.969 4.527 -0.000 0.000 0.356 64 F C 1.375 177.160 175.800 -0.024 0.000 1.244 64 F CA -0.870 57.116 58.000 -0.023 0.000 1.290 64 F CB -0.371 38.639 39.000 0.017 0.000 1.677 64 F HN 0.136 nan 8.300 nan 0.000 0.649 65 R N 1.436 122.012 120.500 0.126 0.000 2.607 65 R HA 0.345 4.685 4.340 0.000 0.000 0.261 65 R C -1.466 174.845 176.300 0.019 0.000 1.051 65 R CA -1.640 54.498 56.100 0.063 0.000 1.110 65 R CB 0.152 30.465 30.300 0.022 0.000 1.158 65 R HN -0.056 nan 8.270 nan 0.000 0.543 66 P HA -0.127 nan 4.420 nan 0.000 0.223 66 P C 0.061 177.344 177.300 -0.028 0.000 1.151 66 P CA 1.223 64.309 63.100 -0.024 0.000 0.787 66 P CB 0.132 31.838 31.700 0.010 0.000 0.788 67 D N -1.708 118.691 120.400 -0.003 0.000 2.342 67 D HA 0.038 4.678 4.640 0.000 0.000 0.221 67 D C 0.415 176.715 176.300 0.000 0.000 1.101 67 D CA 0.023 54.025 54.000 0.004 0.000 0.837 67 D CB 0.221 41.031 40.800 0.017 0.000 0.938 67 D HN 0.115 nan 8.370 nan 0.000 0.508 68 R N 0.107 120.600 120.500 -0.011 0.000 2.854 68 R HA 0.412 4.752 4.340 0.000 0.000 0.271 68 R C -0.082 176.198 176.300 -0.033 0.000 0.994 68 R CA -0.786 55.314 56.100 -0.000 0.000 0.945 68 R CB 1.786 32.105 30.300 0.032 0.000 1.194 68 R HN 0.051 nan 8.270 nan 0.000 0.476 69 S N 0.204 115.902 115.700 -0.003 0.000 2.569 69 S HA 0.026 4.496 4.470 0.000 0.000 0.274 69 S C -0.010 174.570 174.600 -0.033 0.000 1.353 69 S CA -0.394 57.812 58.200 0.010 0.000 1.023 69 S CB 0.183 63.413 63.200 0.050 0.000 0.876 69 S HN 0.489 nan 8.310 nan 0.000 0.540 70 H N 0.706 119.761 119.070 -0.026 0.000 2.972 70 H HA 0.439 4.995 4.556 0.000 0.000 0.343 70 H C 0.650 175.888 175.328 -0.150 0.000 1.054 70 H CA 1.129 57.139 56.048 -0.063 0.000 1.412 70 H CB 0.195 29.947 29.762 -0.018 0.000 1.385 70 H HN 0.941 nan 8.280 nan 0.000 0.600 71 A N 3.266 125.961 122.820 -0.209 0.000 2.325 71 A HA 0.358 4.678 4.320 0.000 0.000 0.333 71 A C -0.200 177.253 177.584 -0.218 0.000 1.155 71 A CA -1.063 50.726 52.037 -0.414 0.000 0.814 71 A CB 0.674 18.885 19.000 -1.314 0.000 1.206 71 A HN 0.559 nan 8.150 nan 0.000 0.482 72 K N 1.196 121.513 120.400 -0.138 0.000 2.527 72 K HA 0.030 4.350 4.320 0.000 0.000 0.278 72 K C 1.219 177.791 176.600 -0.046 0.000 0.981 72 K CA 0.336 56.587 56.287 -0.060 0.000 1.009 72 K CB 0.560 33.023 32.500 -0.060 0.000 0.895 72 K HN 0.716 nan 8.250 nan 0.000 0.493 73 S N 1.997 117.714 115.700 0.027 0.000 2.399 73 S HA -0.199 4.271 4.470 0.000 0.000 0.231 73 S C 1.881 176.494 174.600 0.022 0.000 1.022 73 S CA 1.319 59.578 58.200 0.099 0.000 0.983 73 S CB -0.095 63.238 63.200 0.222 0.000 0.803 73 S HN 0.735 nan 8.310 nan 0.000 0.480 74 A N 2.013 124.786 122.820 -0.079 0.000 1.948 74 A HA -0.200 4.120 4.320 0.000 0.000 0.220 74 A C 2.165 179.757 177.584 0.013 0.000 1.177 74 A CA 1.524 53.510 52.037 -0.085 0.000 0.636 74 A CB -0.482 18.446 19.000 -0.121 0.000 0.815 74 A HN 0.447 nan 8.150 nan 0.000 0.449 75 R N -0.639 119.891 120.500 0.050 0.000 2.075 75 R HA -0.056 4.284 4.340 0.000 0.000 0.232 75 R C 2.506 178.972 176.300 0.277 0.000 1.126 75 R CA 1.539 57.733 56.100 0.158 0.000 0.963 75 R CB -0.355 30.059 30.300 0.190 0.000 0.858 75 R HN 0.512 nan 8.270 nan 0.000 0.435 76 S N 0.289 116.171 115.700 0.304 0.000 2.387 76 S HA -0.070 4.400 4.470 0.000 0.000 0.226 76 S C 2.098 176.841 174.600 0.238 0.000 1.026 76 S CA 0.929 59.339 58.200 0.350 0.000 0.972 76 S CB -0.034 63.377 63.200 0.351 0.000 0.814 76 S HN 0.058 nan 8.310 nan 0.000 0.477 77 V N 2.153 122.176 119.914 0.182 0.000 2.295 77 V HA -0.217 3.903 4.120 0.000 0.000 0.246 77 V C 2.682 178.852 176.094 0.126 0.000 1.049 77 V CA 1.797 64.186 62.300 0.147 0.000 1.024 77 V CB -1.231 30.641 31.823 0.082 0.000 0.648 77 V HN 0.536 nan 8.190 nan 0.000 0.447 78 A N 0.000 122.879 122.820 0.098 0.000 1.908 78 A HA -0.286 4.034 4.320 0.000 0.000 0.218 78 A C 2.199 179.840 177.584 0.094 0.000 1.181 78 A CA 2.213 54.297 52.037 0.079 0.000 0.627 78 A CB -0.557 18.478 19.000 0.058 0.000 0.818 78 A HN 0.590 nan 8.150 nan 0.000 0.445 79 E N -0.307 119.969 120.200 0.126 0.000 2.110 79 E HA -0.118 4.232 4.350 0.000 0.000 0.193 79 E C 1.964 178.647 176.600 0.139 0.000 0.988 79 E CA 2.048 58.514 56.400 0.111 0.000 0.804 79 E CB -0.556 29.217 29.700 0.122 0.000 0.745 79 E HN 0.515 nan 8.360 nan 0.000 0.458 80 T N 0.490 115.175 114.554 0.219 0.000 2.777 80 T HA -0.117 4.233 4.350 0.000 0.000 0.266 80 T C 1.830 176.667 174.700 0.229 0.000 1.040 80 T CA 1.404 63.694 62.100 0.317 0.000 1.141 80 T CB -0.272 68.764 68.868 0.281 0.000 0.868 80 T HN 0.226 nan 8.240 nan 0.000 0.444 81 M N 0.916 120.611 119.600 0.159 0.000 2.132 81 M HA -0.013 4.467 4.480 0.000 0.000 0.263 81 M C 2.422 178.742 176.300 0.034 0.000 1.065 81 M CA 1.767 57.132 55.300 0.109 0.000 1.122 81 M CB -0.380 32.270 32.600 0.083 0.000 1.365 81 M HN 0.357 nan 8.290 nan 0.000 0.411 82 G N -0.131 108.692 108.800 0.038 0.000 2.421 82 G HA2 -0.166 3.794 3.960 0.000 0.000 0.217 82 G HA3 -0.166 3.794 3.960 0.000 0.000 0.217 82 G C 1.265 176.217 174.900 0.087 0.000 1.143 82 G CA 0.686 45.814 45.100 0.046 0.000 0.784 82 G HN 0.450 nan 8.290 nan 0.000 0.541 83 N N -1.284 117.364 118.700 -0.087 0.000 2.407 83 N HA 0.108 4.848 4.740 0.000 0.000 0.182 83 N C 0.924 176.230 175.510 -0.340 0.000 1.079 83 N CA 0.488 53.325 53.050 -0.355 0.000 0.882 83 N CB 0.479 38.407 38.487 -0.932 0.000 1.106 83 N HN 0.399 nan 8.380 nan 0.000 0.461 84 Y N -1.391 119.105 120.300 0.327 0.000 2.572 84 Y HA 0.266 4.817 4.550 0.000 0.000 0.274 84 Y C 0.218 176.237 175.900 0.198 0.000 1.135 84 Y CA -0.161 58.116 58.100 0.296 0.000 1.230 84 Y CB 0.430 39.028 38.460 0.230 0.000 1.293 84 Y HN -0.018 nan 8.280 nan 0.000 0.501 85 H N 1.682 120.797 119.070 0.074 0.000 2.596 85 H HA 0.342 4.898 4.556 0.000 0.000 0.240 85 H C -2.849 172.467 175.328 -0.021 0.000 1.406 85 H CA -2.131 53.945 56.048 0.046 0.000 1.504 85 H CB 1.301 31.129 29.762 0.110 0.000 1.688 85 H HN -0.193 nan 8.280 nan 0.000 0.546 86 P HA 0.126 nan 4.420 nan 0.000 0.235 86 P C -0.817 176.152 177.300 -0.552 0.000 1.725 86 P CA -0.121 62.655 63.100 -0.539 0.000 0.894 86 P CB -0.426 30.750 31.700 -0.874 0.000 1.704 87 H N -1.299 117.555 119.070 -0.360 0.000 2.529 87 H HA 0.504 5.060 4.556 0.000 0.000 0.348 87 H C 1.652 176.937 175.328 -0.071 0.000 1.152 87 H CA -0.316 55.597 56.048 -0.226 0.000 1.202 87 H CB 1.067 30.659 29.762 -0.283 0.000 1.562 87 H HN -0.043 nan 8.280 nan 0.000 0.515 88 G N 1.015 109.850 108.800 0.058 0.000 2.985 88 G HA2 -0.057 3.903 3.960 0.000 0.000 0.209 88 G HA3 -0.057 3.903 3.960 0.000 0.000 0.209 88 G C -0.143 174.802 174.900 0.075 0.000 1.165 88 G CA -0.113 45.016 45.100 0.048 0.000 0.776 88 G HN 0.774 nan 8.290 nan 0.000 0.541 89 D N -0.431 120.035 120.400 0.109 0.000 2.363 89 D HA 0.400 5.040 4.640 0.000 0.000 0.240 89 D C 1.198 177.563 176.300 0.109 0.000 1.236 89 D CA 0.017 54.076 54.000 0.098 0.000 0.927 89 D CB 1.028 41.883 40.800 0.092 0.000 1.150 89 D HN -0.064 nan 8.370 nan 0.000 0.458 90 A N 0.133 123.008 122.820 0.091 0.000 2.302 90 A HA 0.084 4.404 4.320 0.000 0.000 0.219 90 A C 1.794 179.434 177.584 0.094 0.000 1.243 90 A CA 0.317 52.420 52.037 0.110 0.000 0.856 90 A CB -0.989 18.076 19.000 0.109 0.000 0.893 90 A HN 0.523 nan 8.150 nan 0.000 0.491 91 S N 0.218 115.957 115.700 0.065 0.000 2.399 91 S HA -0.150 4.320 4.470 0.000 0.000 0.231 91 S C 1.725 176.289 174.600 -0.061 0.000 1.022 91 S CA 1.366 59.556 58.200 -0.017 0.000 0.983 91 S CB -0.630 62.539 63.200 -0.052 0.000 0.803 91 S HN 0.538 nan 8.310 nan 0.000 0.480 92 I N -0.075 120.497 120.570 0.003 0.000 2.163 92 I HA -0.113 4.057 4.170 0.000 0.000 0.240 92 I C 2.582 178.766 176.117 0.112 0.000 1.081 92 I CA 1.608 62.916 61.300 0.015 0.000 1.353 92 I CB -0.493 37.568 38.000 0.102 0.000 1.054 92 I HN 0.229 nan 8.210 nan 0.000 0.407 93 Y N 1.801 122.112 120.300 0.019 0.000 2.242 93 Y HA -0.295 4.255 4.550 0.000 0.000 0.291 93 Y C 2.104 178.024 175.900 0.033 0.000 1.137 93 Y CA 1.700 59.818 58.100 0.031 0.000 1.181 93 Y CB -0.555 37.913 38.460 0.014 0.000 0.989 93 Y HN 0.265 nan 8.280 nan 0.000 0.527 94 D N -1.051 119.343 120.400 -0.011 0.000 2.123 94 D HA -0.171 4.469 4.640 0.000 0.000 0.196 94 D C 2.112 178.378 176.300 -0.056 0.000 0.992 94 D CA 1.877 55.826 54.000 -0.085 0.000 0.833 94 D CB -0.045 40.740 40.800 -0.025 0.000 0.954 94 D HN 0.307 nan 8.370 nan 0.000 0.455 95 S N -0.371 115.304 115.700 -0.042 0.000 2.355 95 S HA -0.085 4.385 4.470 0.000 0.000 0.222 95 S C 1.960 176.610 174.600 0.084 0.000 1.031 95 S CA 0.567 58.765 58.200 -0.004 0.000 0.993 95 S CB -0.427 62.627 63.200 -0.244 0.000 0.859 95 S HN 0.372 nan 8.310 nan 0.000 0.453 96 L N 1.733 122.999 121.223 0.072 0.000 1.989 96 L HA -0.140 4.200 4.340 0.000 0.000 0.211 96 L C 2.192 179.135 176.870 0.122 0.000 1.071 96 L CA 1.437 56.356 54.840 0.132 0.000 0.749 96 L CB -0.418 41.772 42.059 0.218 0.000 0.890 96 L HN 0.142 nan 8.230 nan 0.000 0.431 97 V N 0.254 120.165 119.914 -0.006 0.000 2.255 97 V HA -0.330 3.790 4.120 0.000 0.000 0.247 97 V C 2.769 178.899 176.094 0.060 0.000 1.051 97 V CA 2.325 64.674 62.300 0.081 0.000 1.018 97 V CB -0.815 30.842 31.823 -0.276 0.000 0.641 97 V HN 0.548 nan 8.190 nan 0.000 0.445 98 R N -0.257 120.240 120.500 -0.004 0.000 2.091 98 R HA -0.168 4.172 4.340 0.000 0.000 0.238 98 R C 2.184 178.438 176.300 -0.078 0.000 1.136 98 R CA 1.935 58.010 56.100 -0.042 0.000 0.959 98 R CB -0.257 30.053 30.300 0.018 0.000 0.856 98 R HN 0.444 nan 8.270 nan 0.000 0.437 99 M N -0.277 119.317 119.600 -0.010 0.000 2.549 99 M HA -0.031 4.449 4.480 0.000 0.000 0.260 99 M C 1.876 178.116 176.300 -0.099 0.000 1.076 99 M CA 1.155 56.435 55.300 -0.032 0.000 1.090 99 M CB 0.186 32.811 32.600 0.042 0.000 1.418 99 M HN 0.249 nan 8.290 nan 0.000 0.486 100 A N -0.445 122.283 122.820 -0.153 0.000 2.267 100 A HA 0.096 4.416 4.320 0.000 0.000 0.213 100 A C 0.678 178.019 177.584 -0.406 0.000 1.192 100 A CA -0.057 51.799 52.037 -0.302 0.000 0.851 100 A CB 0.031 18.692 19.000 -0.564 0.000 0.881 100 A HN 0.420 nan 8.150 nan 0.000 0.494 101 Q N 0.372 119.881 119.800 -0.485 0.000 2.314 101 Q HA 0.231 4.571 4.340 0.000 0.000 0.257 101 Q C -1.925 173.602 176.000 -0.787 0.000 0.975 101 Q CA -2.095 53.132 55.803 -0.961 0.000 0.933 101 Q CB 1.233 29.085 28.738 -1.476 0.000 1.195 101 Q HN 0.170 nan 8.270 nan 0.000 0.426 102 P HA -0.125 nan 4.420 nan 0.000 0.233 102 P C 0.206 177.474 177.300 -0.052 0.000 1.167 102 P CA 0.771 63.752 63.100 -0.198 0.000 0.770 102 P CB 0.001 31.683 31.700 -0.031 0.000 0.837 103 W N -1.685 119.623 121.300 0.012 0.000 2.863 103 W HA 0.298 4.958 4.660 -0.000 0.000 0.258 103 W C 1.491 178.067 176.519 0.094 0.000 1.298 103 W CA 0.309 57.678 57.345 0.039 0.000 1.451 103 W CB -1.408 28.047 29.460 -0.008 0.000 1.107 103 W HN -0.259 nan 8.180 nan 0.000 0.641 104 S N 0.631 116.148 115.700 -0.305 0.000 2.412 104 S HA 0.143 4.613 4.470 0.000 0.000 0.223 104 S C 0.303 174.936 174.600 0.054 0.000 1.048 104 S CA 0.189 58.323 58.200 -0.110 0.000 0.954 104 S CB -0.163 62.855 63.200 -0.303 0.000 0.840 104 S HN -0.054 nan 8.310 nan 0.000 0.503 105 L N 1.769 122.952 121.223 -0.067 0.000 2.313 105 L HA 0.506 4.846 4.340 0.000 0.000 0.283 105 L C 0.925 177.745 176.870 -0.083 0.000 1.013 105 L CA -0.329 54.496 54.840 -0.026 0.000 0.816 105 L CB 1.536 43.563 42.059 -0.052 0.000 1.236 105 L HN -0.105 nan 8.230 nan 0.000 0.419 106 R N 2.785 123.219 120.500 -0.109 0.000 2.117 106 R HA -0.125 4.215 4.340 0.000 0.000 0.243 106 R C -0.473 175.423 176.300 -0.673 0.000 1.143 106 R CA 1.748 57.640 56.100 -0.347 0.000 0.968 106 R CB -0.143 29.968 30.300 -0.316 0.000 0.863 106 R HN 0.519 nan 8.270 nan 0.000 0.444 107 Y N -0.362 119.916 120.300 -0.037 0.000 2.681 107 Y HA 0.406 4.956 4.550 0.000 0.000 0.347 107 Y C -2.235 173.634 175.900 -0.052 0.000 1.029 107 Y CA -3.319 54.739 58.100 -0.071 0.000 1.279 107 Y CB 1.409 39.793 38.460 -0.127 0.000 1.096 107 Y HN -0.005 nan 8.280 nan 0.000 0.580 108 P HA 0.082 nan 4.420 nan 0.000 0.266 108 P C 0.504 177.811 177.300 0.012 0.000 1.195 108 P CA 0.371 63.454 63.100 -0.030 0.000 0.768 108 P CB 1.023 32.668 31.700 -0.093 0.000 0.838 109 L N 1.406 122.641 121.223 0.020 0.000 2.556 109 L HA 0.166 4.506 4.340 0.000 0.000 0.226 109 L C 0.358 177.249 176.870 0.034 0.000 1.089 109 L CA 0.181 55.051 54.840 0.050 0.000 0.864 109 L CB 0.266 42.372 42.059 0.079 0.000 1.067 109 L HN 0.136 nan 8.230 nan 0.000 0.477 110 V N -0.170 119.741 119.914 -0.003 0.000 2.628 110 V HA 0.278 4.398 4.120 0.000 0.000 0.306 110 V C -0.925 175.121 176.094 -0.080 0.000 1.045 110 V CA -0.697 61.597 62.300 -0.010 0.000 0.905 110 V CB 2.365 34.194 31.823 0.010 0.000 0.997 110 V HN -0.039 nan 8.190 nan 0.000 0.436 111 D N 3.255 123.628 120.400 -0.044 0.000 2.454 111 D HA 0.470 5.110 4.640 0.000 0.000 0.225 111 D C 0.224 176.520 176.300 -0.007 0.000 1.081 111 D CA -0.010 53.972 54.000 -0.030 0.000 0.864 111 D CB 1.380 42.193 40.800 0.022 0.000 1.040 111 D HN 0.678 nan 8.370 nan 0.000 0.517 112 G N 2.655 111.260 108.800 -0.325 0.000 2.389 112 G HA2 0.468 4.428 3.960 0.000 0.000 0.317 112 G HA3 0.468 4.428 3.960 0.000 0.000 0.317 112 G C -0.552 174.169 174.900 -0.298 0.000 1.137 112 G CA -0.517 44.207 45.100 -0.626 0.000 0.870 112 G HN 0.466 nan 8.290 nan 0.000 0.496 113 Q N 0.053 119.798 119.800 -0.092 0.000 2.340 113 Q HA 0.580 4.920 4.340 0.000 0.000 0.268 113 Q C 0.224 176.357 176.000 0.221 0.000 1.031 113 Q CA 0.052 55.796 55.803 -0.099 0.000 0.804 113 Q CB 2.297 30.777 28.738 -0.430 0.000 1.286 113 Q HN 1.221 nan 8.270 nan 0.000 0.448 114 G N 2.641 111.568 108.800 0.211 0.000 2.396 114 G HA2 -0.222 3.738 3.960 0.000 0.000 0.254 114 G HA3 -0.222 3.738 3.960 0.000 0.000 0.254 114 G C -1.054 174.030 174.900 0.307 0.000 1.248 114 G CA -0.844 44.389 45.100 0.220 0.000 1.033 114 G HN 0.581 nan 8.290 nan 0.000 0.502 115 N N 0.433 119.233 118.700 0.166 0.000 2.521 115 N HA 0.530 5.270 4.740 0.000 0.000 0.236 115 N C -0.057 175.499 175.510 0.077 0.000 1.067 115 N CA -0.657 52.480 53.050 0.146 0.000 0.939 115 N CB -0.235 38.288 38.487 0.061 0.000 1.201 115 N HN 0.365 nan 8.380 nan 0.000 0.511 116 F N 2.444 122.469 119.950 0.125 0.000 2.713 116 F HA 0.377 4.904 4.527 0.000 0.000 0.294 116 F C 1.709 177.631 175.800 0.203 0.000 1.152 116 F CA 0.440 58.508 58.000 0.113 0.000 1.385 116 F CB -0.192 38.842 39.000 0.057 0.000 0.981 116 F HN 0.673 nan 8.300 nan 0.000 0.514 117 G N 0.703 109.666 108.800 0.271 0.000 2.584 117 G HA2 -0.004 3.956 3.960 0.000 0.000 0.229 117 G HA3 -0.004 3.956 3.960 0.000 0.000 0.229 117 G C -0.253 174.786 174.900 0.233 0.000 1.320 117 G CA -0.387 44.848 45.100 0.225 0.000 0.891 117 G HN 0.847 nan 8.290 nan 0.000 0.573 118 S N -1.750 113.958 115.700 0.014 0.000 2.688 118 S HA 0.789 5.259 4.470 0.000 0.000 0.275 118 S C -2.700 171.293 174.600 -1.012 0.000 1.175 118 S CA -0.090 57.730 58.200 -0.633 0.000 0.818 118 S CB 1.998 64.963 63.200 -0.391 0.000 1.157 118 S HN 0.601 nan 8.310 nan 0.000 0.482 119 P HA 0.228 nan 4.420 nan 0.000 0.242 119 P C 0.747 177.621 177.300 -0.711 0.000 1.197 119 P CA 0.801 63.097 63.100 -1.341 0.000 0.765 119 P CB -0.438 30.257 31.700 -1.675 0.000 0.936 120 G N -0.173 108.349 108.800 -0.464 0.000 2.945 120 G HA2 0.097 4.057 3.960 0.000 0.000 0.156 120 G HA3 0.097 4.057 3.960 0.000 0.000 0.156 120 G C 0.568 175.403 174.900 -0.107 0.000 1.375 120 G CA -0.251 44.737 45.100 -0.186 0.000 1.039 120 G HN -0.077 nan 8.290 nan 0.000 0.586 121 N N 0.896 119.565 118.700 -0.052 0.000 2.270 121 N HA 0.106 4.846 4.740 0.000 0.000 0.198 121 N C -0.390 175.113 175.510 -0.012 0.000 1.117 121 N CA 0.027 53.064 53.050 -0.021 0.000 0.845 121 N CB 0.397 38.880 38.487 -0.007 0.000 0.980 121 N HN 0.386 nan 8.380 nan 0.000 0.486 122 D N 2.606 122.991 120.400 -0.024 0.000 2.450 122 D HA 0.066 4.706 4.640 0.000 0.000 0.247 122 D C -2.173 174.138 176.300 0.017 0.000 1.162 122 D CA -0.604 53.392 54.000 -0.006 0.000 0.879 122 D CB 0.865 41.654 40.800 -0.018 0.000 1.163 122 D HN 0.077 nan 8.370 nan 0.000 0.472 123 P HA 0.183 nan 4.420 nan 0.000 0.275 123 P C -2.436 174.888 177.300 0.039 0.000 1.227 123 P CA -1.133 61.987 63.100 0.034 0.000 0.781 123 P CB 0.000 31.721 31.700 0.034 0.000 0.906 124 P HA 0.089 nan 4.420 nan 0.000 0.269 124 P C -0.246 177.079 177.300 0.041 0.000 1.215 124 P CA 0.020 63.123 63.100 0.005 0.000 0.780 124 P CB 0.296 31.939 31.700 -0.095 0.000 0.898 125 A N 1.920 124.757 122.820 0.029 0.000 2.386 125 A HA 0.498 4.818 4.320 0.000 0.000 0.246 125 A C 0.538 178.228 177.584 0.177 0.000 1.089 125 A CA 0.088 52.184 52.037 0.097 0.000 0.790 125 A CB -0.481 18.568 19.000 0.082 0.000 1.042 125 A HN 0.620 nan 8.150 nan 0.000 0.497 126 A N 0.852 123.799 122.820 0.212 0.000 2.406 126 A HA 0.395 4.715 4.320 0.000 0.000 0.243 126 A C 1.371 178.857 177.584 -0.162 0.000 1.082 126 A CA 0.342 52.408 52.037 0.048 0.000 0.786 126 A CB -0.266 18.739 19.000 0.008 0.000 1.029 126 A HN 1.410 nan 8.150 nan 0.000 0.495 127 M N 1.016 120.259 119.600 -0.595 0.000 2.358 127 M HA -0.126 4.354 4.480 0.000 0.000 0.264 127 M C 1.603 177.682 176.300 -0.368 0.000 1.064 127 M CA 2.091 56.941 55.300 -0.750 0.000 1.093 127 M CB -0.471 31.491 32.600 -1.065 0.000 1.401 127 M HN 0.780 nan 8.290 nan 0.000 0.440 128 R N -0.739 119.523 120.500 -0.398 0.000 2.299 128 R HA -0.034 4.306 4.340 0.000 0.000 0.197 128 R C 0.092 176.186 176.300 -0.343 0.000 0.971 128 R CA 0.764 56.624 56.100 -0.401 0.000 1.030 128 R CB -0.342 29.640 30.300 -0.529 0.000 0.932 128 R HN 0.435 nan 8.270 nan 0.000 0.477 129 Y N 1.117 121.374 120.300 -0.072 0.000 2.500 129 Y HA 0.208 4.758 4.550 0.000 0.000 0.246 129 Y C 0.542 176.428 175.900 -0.024 0.000 1.146 129 Y CA -0.352 57.724 58.100 -0.039 0.000 1.230 129 Y CB 0.917 39.356 38.460 -0.035 0.000 1.214 129 Y HN 0.103 nan 8.280 nan 0.000 0.526 130 T N -2.367 112.245 114.554 0.096 0.000 2.930 130 T HA 0.748 5.098 4.350 0.000 0.000 0.290 130 T C -0.453 174.337 174.700 0.150 0.000 1.052 130 T CA -0.834 61.328 62.100 0.103 0.000 1.017 130 T CB 2.937 71.743 68.868 -0.104 0.000 1.137 130 T HN 0.037 nan 8.240 nan 0.000 0.511 131 E N -0.481 119.867 120.200 0.247 0.000 2.369 131 E HA 0.697 5.047 4.350 0.000 0.000 0.270 131 E C -1.276 175.518 176.600 0.324 0.000 0.909 131 E CA -1.522 54.995 56.400 0.195 0.000 0.775 131 E CB 2.447 32.201 29.700 0.090 0.000 1.270 131 E HN 1.002 nan 8.360 nan 0.000 0.445 132 A N 1.780 124.763 122.820 0.272 0.000 2.566 132 A HA 0.699 5.019 4.320 0.000 0.000 0.297 132 A C -1.193 176.474 177.584 0.139 0.000 1.059 132 A CA -0.840 51.367 52.037 0.283 0.000 0.691 132 A CB 1.471 20.652 19.000 0.302 0.000 1.282 132 A HN 0.688 nan 8.150 nan 0.000 0.401 133 R N 1.249 121.807 120.500 0.096 0.000 2.795 133 R HA 0.788 5.128 4.340 0.000 0.000 0.268 133 R C -1.353 174.985 176.300 0.063 0.000 1.041 133 R CA -0.961 55.163 56.100 0.041 0.000 0.927 133 R CB 0.756 30.980 30.300 -0.128 0.000 1.235 133 R HN 0.490 nan 8.270 nan 0.000 0.463 134 L N 1.547 122.830 121.223 0.101 0.000 2.461 134 L HA 0.205 4.545 4.340 0.000 0.000 0.272 134 L C 0.868 177.760 176.870 0.036 0.000 1.197 134 L CA -0.182 54.712 54.840 0.090 0.000 0.836 134 L CB 0.866 43.008 42.059 0.138 0.000 1.105 134 L HN 0.840 nan 8.230 nan 0.000 0.477 135 T N -1.140 113.429 114.554 0.025 0.000 2.816 135 T HA 0.249 4.599 4.350 0.000 0.000 0.282 135 T C -1.940 172.748 174.700 -0.019 0.000 0.993 135 T CA -1.728 60.368 62.100 -0.007 0.000 0.994 135 T CB 1.245 70.098 68.868 -0.024 0.000 1.025 135 T HN 0.333 nan 8.240 nan 0.000 0.529 136 P HA 0.016 nan 4.420 nan 0.000 0.216 136 P C 1.687 178.831 177.300 -0.258 0.000 1.150 136 P CA 0.829 63.864 63.100 -0.109 0.000 0.837 136 P CB -0.071 31.588 31.700 -0.067 0.000 0.786 137 L N -1.230 119.776 121.223 -0.361 0.000 2.093 137 L HA -0.139 4.201 4.340 0.000 0.000 0.208 137 L C 2.417 179.305 176.870 0.030 0.000 1.085 137 L CA 1.350 55.985 54.840 -0.343 0.000 0.755 137 L CB -1.004 40.732 42.059 -0.538 0.000 0.904 137 L HN -0.048 nan 8.230 nan 0.000 0.435 138 A N -0.441 122.411 122.820 0.054 0.000 1.933 138 A HA -0.214 4.106 4.320 0.000 0.000 0.218 138 A C 2.269 179.913 177.584 0.099 0.000 1.175 138 A CA 1.356 53.462 52.037 0.115 0.000 0.628 138 A CB -0.333 18.724 19.000 0.095 0.000 0.814 138 A HN 0.275 nan 8.150 nan 0.000 0.444 139 M N -0.131 119.522 119.600 0.087 0.000 2.202 139 M HA -0.112 4.368 4.480 0.000 0.000 0.262 139 M C 1.621 177.975 176.300 0.090 0.000 1.063 139 M CA 1.155 56.527 55.300 0.121 0.000 1.097 139 M CB -1.212 31.467 32.600 0.131 0.000 1.382 139 M HN 0.396 nan 8.290 nan 0.000 0.413 140 E N -0.437 119.822 120.200 0.098 0.000 2.216 140 E HA -0.033 4.317 4.350 0.000 0.000 0.192 140 E C 2.024 178.697 176.600 0.121 0.000 0.988 140 E CA 0.667 57.150 56.400 0.138 0.000 0.834 140 E CB -0.203 29.620 29.700 0.205 0.000 0.772 140 E HN 0.448 nan 8.360 nan 0.000 0.479 141 M N -0.131 119.533 119.600 0.108 0.000 2.213 141 M HA -0.069 4.411 4.480 0.000 0.000 0.263 141 M C 1.984 178.235 176.300 -0.081 0.000 1.062 141 M CA 1.113 56.402 55.300 -0.018 0.000 1.105 141 M CB -0.539 32.047 32.600 -0.023 0.000 1.385 141 M HN 0.052 nan 8.290 nan 0.000 0.417 142 L N -1.074 120.064 121.223 -0.142 0.000 2.640 142 L HA 0.176 4.516 4.340 0.000 0.000 0.230 142 L C 1.122 177.810 176.870 -0.303 0.000 1.123 142 L CA -0.230 54.387 54.840 -0.371 0.000 0.900 142 L CB -0.086 41.477 42.059 -0.826 0.000 1.146 142 L HN 0.139 nan 8.230 nan 0.000 0.484 143 R N 1.856 122.300 120.500 -0.094 0.000 2.502 143 R HA -0.085 4.255 4.340 0.000 0.000 0.292 143 R C 0.096 176.389 176.300 -0.011 0.000 0.998 143 R CA 0.467 56.566 56.100 -0.001 0.000 1.056 143 R CB -0.002 30.323 30.300 0.041 0.000 0.939 143 R HN 0.271 nan 8.270 nan 0.000 0.411 144 E N 2.390 122.613 120.200 0.038 0.000 2.791 144 E HA -0.292 4.058 4.350 0.000 0.000 0.271 144 E C 0.658 177.249 176.600 -0.014 0.000 1.044 144 E CA 0.769 57.182 56.400 0.021 0.000 0.814 144 E CB -1.183 28.521 29.700 0.006 0.000 1.400 144 E HN 0.759 nan 8.360 nan 0.000 0.423 145 I N 1.162 121.731 120.570 -0.002 0.000 2.756 145 I HA -0.189 3.981 4.170 0.000 0.000 0.262 145 I C 1.797 177.971 176.117 0.096 0.000 1.225 145 I CA 1.730 63.061 61.300 0.052 0.000 1.472 145 I CB 0.073 38.092 38.000 0.032 0.000 1.094 145 I HN 0.227 nan 8.210 nan 0.000 0.454 146 D N 0.061 120.495 120.400 0.057 0.000 2.328 146 D HA -0.119 4.521 4.640 0.000 0.000 0.226 146 D C 0.702 176.812 176.300 -0.317 0.000 1.066 146 D CA 0.350 54.323 54.000 -0.045 0.000 0.861 146 D CB -0.223 40.615 40.800 0.062 0.000 0.912 146 D HN 0.470 nan 8.370 nan 0.000 0.521 147 E N 0.851 120.806 120.200 -0.409 0.000 2.609 147 E HA 0.074 4.424 4.350 0.000 0.000 0.208 147 E C -0.523 175.623 176.600 -0.757 0.000 1.013 147 E CA -0.273 55.554 56.400 -0.954 0.000 1.093 147 E CB 0.080 29.510 29.700 -0.450 0.000 1.129 147 E HN 0.264 nan 8.360 nan 0.000 0.450 148 E N -0.195 119.729 120.200 -0.461 0.000 2.476 148 E HA -0.229 4.121 4.350 0.000 0.000 0.251 148 E C 0.749 177.307 176.600 -0.069 0.000 1.130 148 E CA 0.841 57.131 56.400 -0.183 0.000 0.736 148 E CB -1.676 27.969 29.700 -0.092 0.000 1.298 148 E HN 0.446 nan 8.360 nan 0.000 0.400 149 T N -3.285 111.232 114.554 -0.061 0.000 3.067 149 T HA 0.203 4.553 4.350 0.000 0.000 0.257 149 T C 0.979 175.681 174.700 0.003 0.000 1.105 149 T CA 0.549 62.625 62.100 -0.039 0.000 1.104 149 T CB 0.196 69.026 68.868 -0.063 0.000 0.925 149 T HN 0.305 nan 8.240 nan 0.000 0.498 150 V N -1.897 118.057 119.914 0.067 0.000 3.007 150 V HA 0.609 4.729 4.120 0.000 0.000 0.311 150 V C -1.672 174.500 176.094 0.130 0.000 1.120 150 V CA -1.510 60.833 62.300 0.071 0.000 0.980 150 V CB 2.014 33.840 31.823 0.004 0.000 1.033 150 V HN -0.077 nan 8.190 nan 0.000 0.429 151 D N 2.393 122.832 120.400 0.065 0.000 2.425 151 D HA 0.441 5.081 4.640 0.000 0.000 0.247 151 D C -0.696 175.651 176.300 0.078 0.000 1.147 151 D CA 0.753 54.808 54.000 0.092 0.000 0.879 151 D CB 0.783 41.600 40.800 0.029 0.000 1.179 151 D HN 0.470 nan 8.370 nan 0.000 0.456 152 F N 1.387 121.298 119.950 -0.066 0.000 2.483 152 F HA 0.521 5.048 4.527 0.000 0.000 0.329 152 F C 0.712 176.485 175.800 -0.045 0.000 1.064 152 F CA -0.977 56.974 58.000 -0.081 0.000 0.986 152 F CB 1.063 40.016 39.000 -0.079 0.000 1.218 152 F HN 0.173 nan 8.300 nan 0.000 0.484 153 I N -0.735 119.906 120.570 0.118 0.000 3.074 153 I HA 0.661 4.831 4.170 0.000 0.000 0.310 153 I C -3.015 173.165 176.117 0.106 0.000 1.153 153 I CA -2.980 58.371 61.300 0.086 0.000 0.993 153 I CB 2.195 40.215 38.000 0.034 0.000 1.237 153 I HN 0.206 nan 8.210 nan 0.000 0.443 154 P HA 0.086 nan 4.420 nan 0.000 0.268 154 P C -0.814 176.544 177.300 0.096 0.000 1.205 154 P CA -0.089 63.060 63.100 0.081 0.000 0.771 154 P CB 0.318 32.044 31.700 0.045 0.000 0.858 155 N N 2.568 121.337 118.700 0.115 0.000 2.332 155 N HA -0.067 4.673 4.740 0.000 0.000 0.282 155 N C 1.184 176.749 175.510 0.092 0.000 1.288 155 N CA -0.077 53.075 53.050 0.169 0.000 0.949 155 N CB -0.534 38.084 38.487 0.218 0.000 1.108 155 N HN 0.481 nan 8.380 nan 0.000 0.542 156 Y N -1.454 118.895 120.300 0.083 0.000 2.333 156 Y HA -0.009 4.541 4.550 -0.000 0.000 0.290 156 Y C 0.970 176.884 175.900 0.024 0.000 1.144 156 Y CA 1.546 59.676 58.100 0.051 0.000 1.228 156 Y CB -0.571 37.916 38.460 0.045 0.000 0.985 156 Y HN 0.550 nan 8.280 nan 0.000 0.542 157 D N -1.053 118.898 120.400 -0.749 0.000 2.431 157 D HA 0.187 4.827 4.640 0.000 0.000 0.213 157 D C 1.732 177.876 176.300 -0.261 0.000 1.130 157 D CA 0.211 53.908 54.000 -0.506 0.000 0.834 157 D CB -0.025 40.341 40.800 -0.723 0.000 0.985 157 D HN 0.516 nan 8.370 nan 0.000 0.504 158 G N 1.262 109.953 108.800 -0.180 0.000 2.189 158 G HA2 -0.418 3.542 3.960 0.000 0.000 0.267 158 G HA3 -0.418 3.542 3.960 0.000 0.000 0.267 158 G C 1.258 176.113 174.900 -0.076 0.000 0.975 158 G CA 0.483 45.532 45.100 -0.084 0.000 0.644 158 G HN 0.445 nan 8.290 nan 0.000 0.537 159 R N -0.581 119.847 120.500 -0.120 0.000 2.161 159 R HA 0.397 4.737 4.340 0.000 0.000 0.213 159 R C 1.330 177.614 176.300 -0.027 0.000 1.055 159 R CA 1.414 57.466 56.100 -0.080 0.000 0.996 159 R CB 0.242 30.475 30.300 -0.112 0.000 0.901 159 R HN 0.886 nan 8.270 nan 0.000 0.456 160 V N -3.289 116.627 119.914 0.003 0.000 3.181 160 V HA 0.424 4.544 4.120 0.000 0.000 0.308 160 V C -1.282 174.906 176.094 0.157 0.000 1.214 160 V CA -1.336 61.016 62.300 0.087 0.000 1.053 160 V CB 2.308 34.203 31.823 0.122 0.000 1.069 160 V HN -0.173 nan 8.190 nan 0.000 0.441 161 Q N 1.352 121.289 119.800 0.229 0.000 2.235 161 Q HA 0.582 4.922 4.340 0.000 0.000 0.256 161 Q C -0.812 175.449 176.000 0.436 0.000 0.951 161 Q CA -0.294 55.686 55.803 0.295 0.000 0.890 161 Q CB 2.408 31.299 28.738 0.256 0.000 1.279 161 Q HN 1.044 nan 8.270 nan 0.000 0.444 162 E N 0.998 121.352 120.200 0.257 0.000 2.343 162 E HA 0.597 4.947 4.350 0.000 0.000 0.270 162 E C -2.726 173.456 176.600 -0.696 0.000 0.895 162 E CA -2.280 54.028 56.400 -0.153 0.000 0.767 162 E CB 2.217 31.865 29.700 -0.087 0.000 1.248 162 E HN 0.145 nan 8.360 nan 0.000 0.440 163 P HA -0.020 nan 4.420 nan 0.000 0.275 163 P C 0.740 177.635 177.300 -0.676 0.000 1.227 163 P CA -0.158 62.051 63.100 -1.484 0.000 0.781 163 P CB 1.301 32.144 31.700 -1.428 0.000 0.906 164 T N 0.161 114.442 114.554 -0.456 0.000 3.023 164 T HA 0.103 4.453 4.350 0.000 0.000 0.266 164 T C 0.763 175.322 174.700 -0.236 0.000 1.093 164 T CA 0.429 62.374 62.100 -0.258 0.000 1.129 164 T CB -0.152 68.619 68.868 -0.162 0.000 0.899 164 T HN 0.350 nan 8.240 nan 0.000 0.491 165 V N 0.068 119.821 119.914 -0.269 0.000 3.147 165 V HA 0.516 4.636 4.120 0.000 0.000 0.299 165 V C -1.739 174.240 176.094 -0.193 0.000 1.302 165 V CA -1.453 60.720 62.300 -0.212 0.000 1.015 165 V CB 2.210 33.907 31.823 -0.208 0.000 1.086 165 V HN 0.379 nan 8.190 nan 0.000 0.437 166 L N 5.032 126.177 121.223 -0.130 0.000 2.375 166 L HA 0.502 4.842 4.340 0.000 0.000 0.268 166 L C -1.665 175.243 176.870 0.065 0.000 1.058 166 L CA -1.782 53.005 54.840 -0.088 0.000 0.803 166 L CB 1.588 43.586 42.059 -0.101 0.000 1.212 166 L HN 0.440 nan 8.230 nan 0.000 0.451 167 P HA -0.201 nan 4.420 nan 0.000 0.216 167 P C 0.583 177.902 177.300 0.031 0.000 1.150 167 P CA 1.041 64.132 63.100 -0.014 0.000 0.843 167 P CB 0.146 31.804 31.700 -0.070 0.000 0.787 168 S N -1.309 114.398 115.700 0.012 0.000 3.572 168 S HA -0.182 4.288 4.470 0.000 0.000 0.394 168 S C 0.953 175.576 174.600 0.038 0.000 0.923 168 S CA -0.115 58.064 58.200 -0.034 0.000 1.291 168 S CB -1.053 62.192 63.200 0.074 0.000 0.914 168 S HN 0.064 nan 8.310 nan 0.000 0.545 169 R N 0.749 121.271 120.500 0.038 0.000 2.346 169 R HA 0.163 4.503 4.340 0.000 0.000 0.199 169 R C 0.592 177.048 176.300 0.261 0.000 1.015 169 R CA 0.792 56.971 56.100 0.132 0.000 1.058 169 R CB -1.017 29.347 30.300 0.107 0.000 0.921 169 R HN 0.692 nan 8.270 nan 0.000 0.475 170 F N -1.685 118.325 119.950 0.100 0.000 2.620 170 F HA 0.606 5.133 4.527 0.000 0.000 0.320 170 F C -2.638 173.020 175.800 -0.237 0.000 1.069 170 F CA -3.488 54.494 58.000 -0.031 0.000 0.953 170 F CB 1.337 40.254 39.000 -0.138 0.000 1.322 170 F HN -0.293 nan 8.300 nan 0.000 0.479 171 P HA 0.115 nan 4.420 nan 0.000 0.244 171 P C -0.428 176.514 177.300 -0.597 0.000 1.769 171 P CA 0.283 62.668 63.100 -1.192 0.000 1.102 171 P CB 0.468 31.550 31.700 -1.029 0.000 1.937 172 N N 2.368 120.658 118.700 -0.683 0.000 2.188 172 N HA -0.169 4.571 4.740 0.000 0.000 0.184 172 N C 1.542 176.957 175.510 -0.159 0.000 1.018 172 N CA 0.865 53.652 53.050 -0.438 0.000 0.858 172 N CB -0.606 37.535 38.487 -0.578 0.000 0.989 172 N HN 0.095 nan 8.380 nan 0.000 0.426 173 L N 0.531 121.651 121.223 -0.172 0.000 1.989 173 L HA -0.041 4.299 4.340 0.000 0.000 0.211 173 L C 1.892 178.755 176.870 -0.012 0.000 1.071 173 L CA 1.651 56.451 54.840 -0.066 0.000 0.749 173 L CB -0.803 41.226 42.059 -0.050 0.000 0.890 173 L HN 0.296 nan 8.230 nan 0.000 0.431 174 L N -0.902 120.279 121.223 -0.070 0.000 2.156 174 L HA -0.098 4.242 4.340 0.000 0.000 0.208 174 L C 2.574 179.528 176.870 0.140 0.000 1.095 174 L CA 0.923 55.759 54.840 -0.007 0.000 0.770 174 L CB -0.741 41.184 42.059 -0.224 0.000 0.914 174 L HN 0.387 nan 8.230 nan 0.000 0.439 175 A N -0.152 122.718 122.820 0.084 0.000 1.872 175 A HA -0.141 4.179 4.320 0.000 0.000 0.214 175 A C 2.011 179.751 177.584 0.261 0.000 1.187 175 A CA 1.564 53.731 52.037 0.217 0.000 0.614 175 A CB -0.300 18.841 19.000 0.236 0.000 0.826 175 A HN 0.376 nan 8.150 nan 0.000 0.442 176 N N -1.010 117.810 118.700 0.200 0.000 2.356 176 N HA 0.228 4.968 4.740 0.000 0.000 0.178 176 N C 1.037 176.616 175.510 0.116 0.000 1.075 176 N CA 1.029 54.171 53.050 0.153 0.000 0.889 176 N CB 0.476 39.049 38.487 0.142 0.000 0.999 176 N HN 0.612 nan 8.380 nan 0.000 0.464 177 G N 0.558 109.433 108.800 0.124 0.000 2.697 177 G HA2 -0.194 3.766 3.960 0.000 0.000 0.240 177 G HA3 -0.194 3.766 3.960 0.000 0.000 0.240 177 G C -0.594 174.385 174.900 0.133 0.000 1.346 177 G CA 0.058 45.254 45.100 0.159 0.000 0.887 177 G HN 0.408 nan 8.290 nan 0.000 0.569 178 S N -1.382 114.419 115.700 0.168 0.000 2.552 178 S HA 0.792 5.262 4.470 0.000 0.000 0.272 178 S C 0.665 175.337 174.600 0.120 0.000 1.150 178 S CA 1.239 59.501 58.200 0.103 0.000 0.849 178 S CB 0.961 64.196 63.200 0.059 0.000 1.113 178 S HN 3.051 nan 8.310 nan 0.000 0.458 179 G N 1.854 110.698 108.800 0.072 0.000 2.498 179 G HA2 0.348 4.308 3.960 0.000 0.000 0.245 179 G HA3 0.348 4.308 3.960 0.000 0.000 0.245 179 G C 0.414 175.337 174.900 0.039 0.000 1.204 179 G CA 0.006 45.133 45.100 0.045 0.000 0.933 179 G HN 2.120 nan 8.290 nan 0.000 0.574 180 G N -2.366 106.422 108.800 -0.020 0.000 2.342 180 G HA2 0.615 4.575 3.960 0.000 0.000 0.297 180 G HA3 0.615 4.575 3.960 0.000 0.000 0.297 180 G C 0.696 175.477 174.900 -0.199 0.000 1.313 180 G CA 0.170 45.224 45.100 -0.077 0.000 0.830 180 G HN 1.914 nan 8.290 nan 0.000 0.506 181 I N -1.459 118.974 120.570 -0.228 0.000 3.419 181 I HA 0.557 4.727 4.170 0.000 0.000 0.286 181 I C 1.287 177.303 176.117 -0.170 0.000 1.268 181 I CA 0.552 61.684 61.300 -0.281 0.000 1.414 181 I CB 0.011 37.883 38.000 -0.213 0.000 1.074 181 I HN 0.567 nan 8.210 nan 0.000 0.457 182 A N 1.860 124.605 122.820 -0.124 0.000 2.466 182 A HA 0.371 4.691 4.320 0.000 0.000 0.238 182 A C 0.474 178.015 177.584 -0.072 0.000 1.074 182 A CA -0.228 51.760 52.037 -0.081 0.000 0.774 182 A CB 0.154 19.117 19.000 -0.062 0.000 1.015 182 A HN 0.158 nan 8.150 nan 0.000 0.498 183 V N 1.819 121.702 119.914 -0.052 0.000 2.720 183 V HA 0.335 4.455 4.120 0.000 0.000 0.307 183 V C 1.709 177.780 176.094 -0.037 0.000 1.071 183 V CA 1.933 64.208 62.300 -0.042 0.000 1.199 183 V CB 0.109 31.916 31.823 -0.028 0.000 0.900 183 V HN 2.028 nan 8.190 nan 0.000 0.494 184 G N 4.087 112.866 108.800 -0.036 0.000 2.179 184 G HA2 -0.217 3.743 3.960 0.000 0.000 0.260 184 G HA3 -0.217 3.743 3.960 0.000 0.000 0.260 184 G C 0.191 175.073 174.900 -0.029 0.000 0.977 184 G CA 0.018 45.102 45.100 -0.027 0.000 0.641 184 G HN 0.482 nan 8.290 nan 0.000 0.533 185 M N 0.690 120.266 119.600 -0.040 0.000 2.249 185 M HA 0.440 4.920 4.480 0.000 0.000 0.340 185 M C 1.861 178.144 176.300 -0.028 0.000 1.166 185 M CA 0.628 55.906 55.300 -0.037 0.000 1.115 185 M CB 0.523 33.090 32.600 -0.056 0.000 1.606 185 M HN 0.477 nan 8.290 nan 0.000 0.448 186 A N 2.664 125.475 122.820 -0.015 0.000 1.968 186 A HA 0.012 4.332 4.320 0.000 0.000 0.217 186 A C 1.177 178.758 177.584 -0.004 0.000 1.169 186 A CA 1.590 53.622 52.037 -0.008 0.000 0.638 186 A CB 0.035 19.034 19.000 -0.002 0.000 0.812 186 A HN 0.766 nan 8.150 nan 0.000 0.446 187 T N -1.744 112.808 114.554 -0.003 0.000 2.843 187 T HA 0.509 4.859 4.350 0.000 0.000 0.302 187 T C -2.071 172.631 174.700 0.003 0.000 1.232 187 T CA -0.624 61.482 62.100 0.010 0.000 1.009 187 T CB 1.424 70.309 68.868 0.029 0.000 1.254 187 T HN 0.136 nan 8.240 nan 0.000 0.504 188 N N 2.701 121.415 118.700 0.023 0.000 2.751 188 N HA 0.361 5.101 4.740 0.000 0.000 0.238 188 N C -1.520 174.118 175.510 0.214 0.000 1.351 188 N CA -0.291 52.767 53.050 0.014 0.000 0.751 188 N CB 0.157 38.492 38.487 -0.254 0.000 1.342 188 N HN 0.578 nan 8.380 nan 0.000 0.540 189 I N 2.911 123.653 120.570 0.288 0.000 2.331 189 I HA 0.441 4.611 4.170 0.000 0.000 0.292 189 I C -1.907 174.487 176.117 0.461 0.000 0.998 189 I CA -2.012 59.500 61.300 0.353 0.000 1.267 189 I CB 1.699 39.833 38.000 0.224 0.000 1.386 189 I HN 0.234 nan 8.210 nan 0.000 0.476 190 P HA 0.263 nan 4.420 nan 0.000 0.276 190 P C -2.624 174.610 177.300 -0.110 0.000 1.244 190 P CA -1.842 61.268 63.100 0.018 0.000 0.801 190 P CB -0.005 31.321 31.700 -0.624 0.000 1.006 191 P HA 0.266 nan 4.420 nan 0.000 0.276 191 P C -0.866 176.082 177.300 -0.585 0.000 1.252 191 P CA 0.208 63.164 63.100 -0.239 0.000 0.802 191 P CB 0.610 32.156 31.700 -0.258 0.000 1.035 192 H N -1.621 117.380 119.070 -0.115 0.000 2.985 192 H HA 0.351 4.907 4.556 0.000 0.000 0.360 192 H C -0.256 175.075 175.328 0.006 0.000 1.221 192 H CA -0.645 55.335 56.048 -0.113 0.000 1.121 192 H CB 0.960 30.666 29.762 -0.095 0.000 1.854 192 H HN 0.324 nan 8.280 nan 0.000 0.551 193 N N 1.116 119.875 118.700 0.098 0.000 2.470 193 N HA -0.004 4.736 4.740 0.000 0.000 0.268 193 N C 0.808 176.378 175.510 0.100 0.000 1.136 193 N CA -0.237 52.886 53.050 0.123 0.000 0.961 193 N CB 0.686 39.194 38.487 0.034 0.000 1.067 193 N HN 0.516 nan 8.380 nan 0.000 0.468 194 L N 4.518 125.800 121.223 0.097 0.000 2.046 194 L HA -0.054 4.286 4.340 0.000 0.000 0.208 194 L C 1.949 178.751 176.870 -0.112 0.000 1.077 194 L CA 1.738 56.483 54.840 -0.160 0.000 0.747 194 L CB -0.360 41.385 42.059 -0.523 0.000 0.896 194 L HN 0.637 nan 8.230 nan 0.000 0.432 195 R N -0.478 119.994 120.500 -0.045 0.000 2.081 195 R HA -0.154 4.186 4.340 0.000 0.000 0.235 195 R C 2.135 178.406 176.300 -0.048 0.000 1.131 195 R CA 1.768 57.849 56.100 -0.033 0.000 0.960 195 R CB -0.354 29.952 30.300 0.010 0.000 0.856 195 R HN 0.540 nan 8.270 nan 0.000 0.436 196 E N 0.639 120.816 120.200 -0.038 0.000 2.072 196 E HA -0.152 4.198 4.350 0.000 0.000 0.191 196 E C 2.079 178.615 176.600 -0.107 0.000 0.985 196 E CA 0.921 57.290 56.400 -0.052 0.000 0.801 196 E CB -0.080 29.600 29.700 -0.032 0.000 0.750 196 E HN 0.277 nan 8.360 nan 0.000 0.452 197 L N 0.705 121.851 121.223 -0.129 0.000 2.042 197 L HA -0.202 4.138 4.340 0.000 0.000 0.210 197 L C 2.608 179.328 176.870 -0.250 0.000 1.076 197 L CA 1.034 55.757 54.840 -0.195 0.000 0.749 197 L CB -0.509 41.433 42.059 -0.195 0.000 0.893 197 L HN 0.160 nan 8.230 nan 0.000 0.432 198 A N -0.272 122.367 122.820 -0.302 0.000 1.933 198 A HA -0.228 4.092 4.320 0.000 0.000 0.218 198 A C 1.920 179.062 177.584 -0.738 0.000 1.175 198 A CA 1.877 53.547 52.037 -0.613 0.000 0.628 198 A CB -0.488 18.177 19.000 -0.557 0.000 0.814 198 A HN 0.342 nan 8.150 nan 0.000 0.444 199 D N 0.175 120.418 120.400 -0.261 0.000 2.123 199 D HA -0.105 4.535 4.640 0.000 0.000 0.196 199 D C 2.238 178.556 176.300 0.030 0.000 0.992 199 D CA 1.639 55.645 54.000 0.012 0.000 0.833 199 D CB -0.413 40.419 40.800 0.053 0.000 0.954 199 D HN 0.427 nan 8.370 nan 0.000 0.455 200 A N 0.465 123.246 122.820 -0.064 0.000 1.898 200 A HA -0.120 4.200 4.320 0.000 0.000 0.216 200 A C 2.559 180.177 177.584 0.057 0.000 1.181 200 A CA 1.163 53.189 52.037 -0.020 0.000 0.620 200 A CB -0.735 18.185 19.000 -0.133 0.000 0.819 200 A HN 0.144 nan 8.150 nan 0.000 0.442 201 V N -0.716 119.156 119.914 -0.070 0.000 2.343 201 V HA -0.249 3.871 4.120 0.000 0.000 0.247 201 V C 2.351 178.516 176.094 0.118 0.000 1.051 201 V CA 2.056 64.355 62.300 -0.001 0.000 1.036 201 V CB -1.052 30.724 31.823 -0.078 0.000 0.654 201 V HN 0.546 nan 8.190 nan 0.000 0.451 202 F N -1.068 118.954 119.950 0.119 0.000 2.161 202 F HA -0.199 4.328 4.527 0.000 0.000 0.300 202 F C 2.171 178.032 175.800 0.102 0.000 1.089 202 F CA 1.219 59.273 58.000 0.091 0.000 1.282 202 F CB -1.168 37.878 39.000 0.076 0.000 1.010 202 F HN 0.276 nan 8.300 nan 0.000 0.485 203 W N 0.811 122.214 121.300 0.172 0.000 2.379 203 W HA -0.082 4.578 4.660 0.000 0.000 0.307 203 W C 2.465 179.023 176.519 0.065 0.000 1.200 203 W CA 2.364 59.764 57.345 0.091 0.000 1.297 203 W CB -0.426 29.060 29.460 0.043 0.000 1.140 203 W HN -0.047 nan 8.180 nan 0.000 0.507 204 A N 0.145 123.211 122.820 0.411 0.000 1.972 204 A HA -0.172 4.148 4.320 0.000 0.000 0.219 204 A C 2.014 179.618 177.584 0.035 0.000 1.169 204 A CA 1.730 53.907 52.037 0.235 0.000 0.635 204 A CB -0.962 18.182 19.000 0.240 0.000 0.810 204 A HN 0.424 nan 8.150 nan 0.000 0.446 205 L N -1.194 120.068 121.223 0.064 0.000 2.072 205 L HA -0.152 4.188 4.340 0.000 0.000 0.205 205 L C 2.654 179.507 176.870 -0.028 0.000 1.079 205 L CA 1.680 56.544 54.840 0.040 0.000 0.752 205 L CB -0.335 41.781 42.059 0.096 0.000 0.906 205 L HN 0.468 nan 8.230 nan 0.000 0.436 206 E N 0.576 120.715 120.200 -0.102 0.000 2.106 206 E HA -0.130 4.220 4.350 0.000 0.000 0.192 206 E C 0.746 177.199 176.600 -0.245 0.000 0.984 206 E CA 0.978 57.275 56.400 -0.173 0.000 0.806 206 E CB 0.127 29.694 29.700 -0.222 0.000 0.750 206 E HN 0.321 nan 8.360 nan 0.000 0.458 207 N N 1.046 119.452 118.700 -0.490 0.000 3.170 207 N HA -0.002 4.738 4.740 0.000 0.000 0.305 207 N C 0.368 175.673 175.510 -0.343 0.000 1.499 207 N CA 0.070 52.769 53.050 -0.584 0.000 1.110 207 N CB 0.247 37.922 38.487 -1.353 0.000 1.390 207 N HN 0.423 nan 8.380 nan 0.000 0.508 208 H N 0.618 119.569 119.070 -0.199 0.000 2.489 208 H HA -0.083 4.473 4.556 0.000 0.000 0.293 208 H C 0.284 175.569 175.328 -0.072 0.000 1.066 208 H CA 1.049 57.031 56.048 -0.109 0.000 1.305 208 H CB 0.193 29.905 29.762 -0.083 0.000 1.386 208 H HN 0.297 nan 8.280 nan 0.000 0.551 209 D N 0.553 120.533 120.400 -0.700 0.000 2.431 209 D HA 0.254 4.894 4.640 0.000 0.000 0.213 209 D C 0.608 176.770 176.300 -0.231 0.000 1.130 209 D CA -0.085 53.622 54.000 -0.488 0.000 0.834 209 D CB -0.234 40.172 40.800 -0.657 0.000 0.985 209 D HN 0.416 nan 8.370 nan 0.000 0.504 210 A N 1.511 124.235 122.820 -0.160 0.000 2.498 210 A HA 0.322 4.642 4.320 0.000 0.000 0.239 210 A C 0.423 178.024 177.584 0.028 0.000 1.068 210 A CA -0.233 51.802 52.037 -0.004 0.000 0.766 210 A CB 0.184 19.293 19.000 0.181 0.000 1.003 210 A HN 0.345 nan 8.150 nan 0.000 0.497 211 D N 1.416 121.835 120.400 0.031 0.000 2.393 211 D HA 0.081 4.721 4.640 0.000 0.000 0.246 211 D C 0.679 176.996 176.300 0.028 0.000 1.275 211 D CA 0.087 54.097 54.000 0.017 0.000 0.979 211 D CB 0.209 41.013 40.800 0.007 0.000 1.101 211 D HN 0.595 nan 8.370 nan 0.000 0.505 212 E N -0.795 119.408 120.200 0.006 0.000 2.072 212 E HA -0.192 4.158 4.350 0.000 0.000 0.191 212 E C 1.732 178.327 176.600 -0.008 0.000 0.985 212 E CA 1.081 57.477 56.400 -0.006 0.000 0.801 212 E CB -0.039 29.652 29.700 -0.015 0.000 0.750 212 E HN 0.692 nan 8.360 nan 0.000 0.452 213 E N 1.180 121.377 120.200 -0.004 0.000 2.058 213 E HA -0.283 4.067 4.350 0.000 0.000 0.194 213 E C 2.115 178.701 176.600 -0.023 0.000 0.997 213 E CA 1.343 57.736 56.400 -0.012 0.000 0.801 213 E CB 0.043 29.740 29.700 -0.004 0.000 0.746 213 E HN 0.212 nan 8.360 nan 0.000 0.450 214 E N -0.694 119.511 120.200 0.009 0.000 2.106 214 E HA -0.151 4.199 4.350 0.000 0.000 0.192 214 E C 1.893 178.452 176.600 -0.068 0.000 0.984 214 E CA 1.631 58.044 56.400 0.021 0.000 0.806 214 E CB 0.056 29.836 29.700 0.132 0.000 0.750 214 E HN 0.223 nan 8.360 nan 0.000 0.458 215 T N 1.483 116.040 114.554 0.005 0.000 2.746 215 T HA -0.157 4.193 4.350 0.000 0.000 0.267 215 T C 1.761 176.317 174.700 -0.240 0.000 1.039 215 T CA 1.110 63.170 62.100 -0.067 0.000 1.142 215 T CB -0.254 68.679 68.868 0.109 0.000 0.866 215 T HN 0.123 nan 8.240 nan 0.000 0.444 216 L N 1.533 122.669 121.223 -0.144 0.000 2.017 216 L HA 0.074 4.414 4.340 0.000 0.000 0.208 216 L C 2.617 179.373 176.870 -0.189 0.000 1.073 216 L CA 1.928 56.683 54.840 -0.141 0.000 0.745 216 L CB -1.093 40.922 42.059 -0.072 0.000 0.894 216 L HN 0.219 nan 8.230 nan 0.000 0.432 217 A N -0.457 122.250 122.820 -0.188 0.000 1.908 217 A HA -0.153 4.167 4.320 0.000 0.000 0.218 217 A C 2.442 179.833 177.584 -0.321 0.000 1.181 217 A CA 2.069 53.989 52.037 -0.196 0.000 0.627 217 A CB -1.224 17.688 19.000 -0.147 0.000 0.818 217 A HN 0.593 nan 8.150 nan 0.000 0.445 218 A N -0.237 122.244 122.820 -0.566 0.000 1.898 218 A HA 0.044 4.364 4.320 0.000 0.000 0.216 218 A C 2.302 179.488 177.584 -0.663 0.000 1.181 218 A CA 2.055 53.548 52.037 -0.906 0.000 0.620 218 A CB -1.108 16.522 19.000 -2.284 0.000 0.819 218 A HN 1.151 nan 8.150 nan 0.000 0.442 219 V N -3.197 116.405 119.914 -0.520 0.000 2.591 219 V HA -0.112 4.008 4.120 0.000 0.000 0.249 219 V C 2.192 178.110 176.094 -0.294 0.000 1.053 219 V CA 1.914 64.005 62.300 -0.349 0.000 1.068 219 V CB -0.851 30.805 31.823 -0.278 0.000 0.689 219 V HN 0.458 nan 8.190 nan 0.000 0.462 220 M N 1.293 120.744 119.600 -0.248 0.000 2.394 220 M HA 0.127 4.607 4.480 0.000 0.000 0.264 220 M C 2.187 178.423 176.300 -0.107 0.000 1.073 220 M CA 1.489 56.703 55.300 -0.143 0.000 1.111 220 M CB -0.581 31.996 32.600 -0.039 0.000 1.401 220 M HN 0.545 nan 8.290 nan 0.000 0.448 221 G N 0.282 108.986 108.800 -0.159 0.000 2.443 221 G HA2 -0.153 3.807 3.960 0.000 0.000 0.219 221 G HA3 -0.153 3.807 3.960 0.000 0.000 0.219 221 G C 1.699 176.539 174.900 -0.101 0.000 1.131 221 G CA 0.469 45.495 45.100 -0.123 0.000 0.775 221 G HN 0.402 nan 8.290 nan 0.000 0.547 222 R N -1.226 119.196 120.500 -0.131 0.000 2.279 222 R HA 0.228 4.568 4.340 0.000 0.000 0.195 222 R C -0.149 176.098 176.300 -0.088 0.000 0.905 222 R CA -0.057 55.986 56.100 -0.094 0.000 1.044 222 R CB 0.874 31.115 30.300 -0.098 0.000 1.056 222 R HN 0.159 nan 8.270 nan 0.000 0.535 223 V N 2.856 122.696 119.914 -0.125 0.000 2.304 223 V HA 0.117 4.237 4.120 0.000 0.000 0.269 223 V C 0.531 176.634 176.094 0.014 0.000 1.036 223 V CA -0.296 61.936 62.300 -0.113 0.000 0.840 223 V CB 1.343 32.978 31.823 -0.314 0.000 1.036 223 V HN 0.089 nan 8.190 nan 0.000 0.466 224 K N 3.095 123.518 120.400 0.038 0.000 2.211 224 K HA 0.188 4.508 4.320 0.000 0.000 0.203 224 K C 0.949 177.610 176.600 0.102 0.000 1.050 224 K CA 0.939 57.258 56.287 0.053 0.000 0.945 224 K CB 0.154 32.657 32.500 0.005 0.000 0.732 224 K HN 0.870 nan 8.250 nan 0.000 0.451 225 G N 0.268 109.158 108.800 0.150 0.000 2.320 225 G HA2 0.156 4.116 3.960 0.000 0.000 0.297 225 G HA3 0.156 4.116 3.960 0.000 0.000 0.297 225 G C -3.186 171.668 174.900 -0.076 0.000 1.344 225 G CA -1.163 43.984 45.100 0.079 0.000 0.851 225 G HN -0.262 nan 8.290 nan 0.000 0.567 226 P HA 0.276 nan 4.420 nan 0.000 0.269 226 P C -0.939 175.804 177.300 -0.928 0.000 1.211 226 P CA 0.405 62.893 63.100 -1.020 0.000 0.781 226 P CB 0.625 31.470 31.700 -1.424 0.000 0.877 227 D N 1.551 121.389 120.400 -0.937 0.000 2.402 227 D HA 0.297 4.937 4.640 0.000 0.000 0.252 227 D C -1.217 174.702 176.300 -0.634 0.000 1.294 227 D CA -0.429 53.197 54.000 -0.624 0.000 0.948 227 D CB -0.018 40.602 40.800 -0.300 0.000 1.202 227 D HN -0.045 nan 8.370 nan 0.000 0.561 228 F N 3.344 123.091 119.950 -0.337 0.000 2.382 228 F HA 0.330 4.857 4.527 0.000 0.000 0.331 228 F C -0.815 174.830 175.800 -0.258 0.000 1.121 228 F CA -2.072 55.672 58.000 -0.428 0.000 1.183 228 F CB 0.594 39.382 39.000 -0.354 0.000 1.207 228 F HN 0.230 nan 8.300 nan 0.000 0.555 229 P HA -0.113 nan 4.420 nan 0.000 0.220 229 P C 0.976 178.337 177.300 0.100 0.000 1.148 229 P CA 1.572 64.671 63.100 -0.001 0.000 0.803 229 P CB -0.296 31.429 31.700 0.042 0.000 0.782 230 T N -4.015 110.658 114.554 0.199 0.000 3.194 230 T HA 0.507 4.857 4.350 0.000 0.000 0.251 230 T C 1.080 175.861 174.700 0.136 0.000 1.132 230 T CA 0.339 62.556 62.100 0.194 0.000 1.028 230 T CB -0.543 68.469 68.868 0.240 0.000 0.976 230 T HN 0.279 nan 8.240 nan 0.000 0.535 231 A N 1.100 123.995 122.820 0.124 0.000 5.255 231 A HA 0.210 4.530 4.320 0.000 0.000 0.295 231 A C 1.462 179.117 177.584 0.117 0.000 2.040 231 A CA 0.932 53.020 52.037 0.085 0.000 0.716 231 A CB -1.955 17.075 19.000 0.050 0.000 1.229 231 A HN 2.296 nan 8.150 nan 0.000 0.358 232 G N -2.399 106.441 108.800 0.067 0.000 2.598 232 G HA2 0.204 4.164 3.960 0.000 0.000 0.244 232 G HA3 0.204 4.164 3.960 0.000 0.000 0.244 232 G C -0.204 174.731 174.900 0.058 0.000 1.302 232 G CA 0.284 45.416 45.100 0.054 0.000 0.903 232 G HN 2.024 nan 8.290 nan 0.000 0.575 233 L N -0.656 120.596 121.223 0.049 0.000 2.371 233 L HA 0.770 5.110 4.340 0.000 0.000 0.262 233 L C -0.010 176.886 176.870 0.044 0.000 1.006 233 L CA -0.967 53.888 54.840 0.026 0.000 0.818 233 L CB 2.238 44.292 42.059 -0.009 0.000 1.354 233 L HN 0.565 nan 8.230 nan 0.000 0.415 234 I N 1.561 122.142 120.570 0.019 0.000 2.465 234 I HA 0.417 4.587 4.170 0.000 0.000 0.291 234 I C -0.806 175.297 176.117 -0.024 0.000 1.014 234 I CA -0.825 60.483 61.300 0.014 0.000 1.093 234 I CB 2.456 40.451 38.000 -0.008 0.000 1.267 234 I HN 0.169 nan 8.210 nan 0.000 0.431 235 V N 5.579 125.471 119.914 -0.036 0.000 2.347 235 V HA 0.802 4.922 4.120 0.000 0.000 0.280 235 V C 0.498 176.567 176.094 -0.042 0.000 1.021 235 V CA -0.220 62.049 62.300 -0.050 0.000 0.847 235 V CB 0.662 32.435 31.823 -0.082 0.000 0.990 235 V HN 1.084 nan 8.190 nan 0.000 0.444 236 G N 4.624 113.401 108.800 -0.037 0.000 2.795 236 G HA2 -0.088 3.872 3.960 0.000 0.000 0.664 236 G HA3 -0.088 3.872 3.960 0.000 0.000 0.664 236 G C 0.364 175.240 174.900 -0.039 0.000 1.381 236 G CA 0.027 45.106 45.100 -0.034 0.000 0.853 236 G HN 1.433 nan 8.290 nan 0.000 0.545 237 S N -1.391 114.286 115.700 -0.038 0.000 2.559 237 S HA 0.171 4.641 4.470 0.000 0.000 0.226 237 S C 1.695 176.264 174.600 -0.053 0.000 1.030 237 S CA 1.059 59.231 58.200 -0.046 0.000 0.956 237 S CB 0.573 63.753 63.200 -0.032 0.000 0.900 237 S HN 0.939 nan 8.310 nan 0.000 0.510 238 Q N 1.870 121.645 119.800 -0.042 0.000 2.046 238 Q HA -0.043 4.297 4.340 0.000 0.000 0.200 238 Q C 2.099 178.067 176.000 -0.053 0.000 0.975 238 Q CA 1.909 57.689 55.803 -0.038 0.000 0.836 238 Q CB -0.878 27.845 28.738 -0.025 0.000 0.896 238 Q HN 0.650 nan 8.270 nan 0.000 0.428 239 G N -0.267 108.502 108.800 -0.052 0.000 2.418 239 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 239 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 239 G C 1.371 176.199 174.900 -0.119 0.000 1.158 239 G CA 1.269 46.339 45.100 -0.051 0.000 0.771 239 G HN 0.372 nan 8.290 nan 0.000 0.545 240 T N 1.648 116.093 114.554 -0.182 0.000 2.708 240 T HA -0.009 4.341 4.350 0.000 0.000 0.266 240 T C 2.840 177.260 174.700 -0.466 0.000 1.037 240 T CA 1.622 63.482 62.100 -0.400 0.000 1.146 240 T CB -0.422 68.245 68.868 -0.336 0.000 0.865 240 T HN 0.366 nan 8.240 nan 0.000 0.435 241 A N 1.912 124.607 122.820 -0.208 0.000 1.902 241 A HA -0.169 4.151 4.320 0.000 0.000 0.217 241 A C 2.110 179.657 177.584 -0.061 0.000 1.181 241 A CA 1.834 53.817 52.037 -0.090 0.000 0.623 241 A CB -0.698 18.283 19.000 -0.032 0.000 0.818 241 A HN 0.358 nan 8.150 nan 0.000 0.443 242 D N 0.126 120.485 120.400 -0.067 0.000 2.104 242 D HA -0.082 4.558 4.640 0.000 0.000 0.194 242 D C 2.261 178.553 176.300 -0.014 0.000 0.994 242 D CA 1.606 55.591 54.000 -0.026 0.000 0.830 242 D CB -0.501 40.286 40.800 -0.020 0.000 0.959 242 D HN 0.424 nan 8.370 nan 0.000 0.452 243 A N 0.323 123.099 122.820 -0.074 0.000 1.902 243 A HA -0.212 4.108 4.320 0.000 0.000 0.217 243 A C 2.000 179.645 177.584 0.103 0.000 1.181 243 A CA 1.193 53.219 52.037 -0.020 0.000 0.623 243 A CB -0.949 17.991 19.000 -0.100 0.000 0.818 243 A HN 0.209 nan 8.150 nan 0.000 0.443 244 Y N 0.087 120.404 120.300 0.028 0.000 2.314 244 Y HA -0.025 4.525 4.550 0.000 0.000 0.293 244 Y C 2.253 178.150 175.900 -0.004 0.000 1.129 244 Y CA 1.000 59.102 58.100 0.003 0.000 1.201 244 Y CB -0.498 37.950 38.460 -0.021 0.000 0.999 244 Y HN 0.324 nan 8.280 nan 0.000 0.541 245 K N -0.758 119.728 120.400 0.143 0.000 2.228 245 K HA -0.038 4.282 4.320 0.000 0.000 0.202 245 K C 1.557 178.194 176.600 0.062 0.000 1.051 245 K CA 1.729 58.063 56.287 0.078 0.000 0.960 245 K CB -0.041 32.487 32.500 0.046 0.000 0.743 245 K HN 0.418 nan 8.250 nan 0.000 0.458 246 T N -5.317 109.277 114.554 0.066 0.000 3.009 246 T HA 0.257 4.607 4.350 0.000 0.000 0.267 246 T C 1.288 176.026 174.700 0.064 0.000 0.942 246 T CA 0.401 62.533 62.100 0.053 0.000 0.883 246 T CB 1.106 69.997 68.868 0.038 0.000 1.192 246 T HN 0.244 nan 8.240 nan 0.000 0.524 247 G N 1.876 110.728 108.800 0.087 0.000 2.217 247 G HA2 -0.203 3.757 3.960 0.000 0.000 0.246 247 G HA3 -0.203 3.757 3.960 0.000 0.000 0.246 247 G C 0.053 175.005 174.900 0.087 0.000 0.990 247 G CA -0.080 45.078 45.100 0.097 0.000 0.627 247 G HN 0.750 nan 8.290 nan 0.000 0.522 248 R N -0.175 120.364 120.500 0.065 0.000 2.628 248 R HA 0.646 4.986 4.340 0.000 0.000 0.288 248 R C -0.118 176.207 176.300 0.041 0.000 0.980 248 R CA -0.116 56.016 56.100 0.053 0.000 0.891 248 R CB 2.207 32.528 30.300 0.035 0.000 1.188 248 R HN 0.787 nan 8.270 nan 0.000 0.450 249 G N -0.129 108.699 108.800 0.047 0.000 2.667 249 G HA2 0.243 4.204 3.960 0.000 0.000 0.294 249 G HA3 0.243 4.204 3.960 0.000 0.000 0.294 249 G C -1.583 173.350 174.900 0.056 0.000 1.467 249 G CA -0.477 44.641 45.100 0.030 0.000 0.852 249 G HN 0.327 nan 8.290 nan 0.000 0.521 250 S N 0.713 116.436 115.700 0.038 0.000 2.423 250 S HA 0.580 5.050 4.470 0.000 0.000 0.317 250 S C 0.068 174.705 174.600 0.062 0.000 1.065 250 S CA -0.653 57.579 58.200 0.054 0.000 1.111 250 S CB -0.319 62.897 63.200 0.025 0.000 0.968 250 S HN 0.415 nan 8.310 nan 0.000 0.474 251 I N 5.253 125.902 120.570 0.131 0.000 2.312 251 I HA 0.371 4.541 4.170 0.000 0.000 0.290 251 I C 0.556 176.741 176.117 0.114 0.000 1.008 251 I CA -0.619 60.746 61.300 0.107 0.000 1.226 251 I CB 1.095 39.174 38.000 0.131 0.000 1.371 251 I HN 0.518 nan 8.210 nan 0.000 0.468 252 R N 7.706 128.233 120.500 0.045 0.000 2.248 252 R HA 0.420 4.760 4.340 0.000 0.000 0.328 252 R C -0.765 175.545 176.300 0.018 0.000 1.067 252 R CA -0.164 55.947 56.100 0.017 0.000 0.924 252 R CB 0.534 30.817 30.300 -0.028 0.000 1.013 252 R HN 0.596 nan 8.270 nan 0.000 0.454 253 M N 3.983 123.595 119.600 0.021 0.000 2.423 253 M HA 0.445 4.925 4.480 0.000 0.000 0.335 253 M C -0.084 176.178 176.300 -0.064 0.000 1.177 253 M CA -0.420 54.880 55.300 0.001 0.000 1.038 253 M CB 2.078 34.662 32.600 -0.027 0.000 1.641 253 M HN 0.460 nan 8.290 nan 0.000 0.455 254 R N 0.140 120.598 120.500 -0.070 0.000 2.673 254 R HA 0.585 4.925 4.340 0.000 0.000 0.281 254 R C -0.059 176.215 176.300 -0.044 0.000 0.991 254 R CA -0.678 55.360 56.100 -0.103 0.000 0.896 254 R CB 2.244 32.423 30.300 -0.202 0.000 1.201 254 R HN 0.927 nan 8.270 nan 0.000 0.457 255 G N 0.678 109.462 108.800 -0.027 0.000 2.570 255 G HA2 0.332 4.292 3.960 0.000 0.000 0.276 255 G HA3 0.332 4.292 3.960 0.000 0.000 0.276 255 G C -0.715 174.200 174.900 0.026 0.000 1.346 255 G CA -0.314 44.767 45.100 -0.030 0.000 1.034 255 G HN 0.264 nan 8.290 nan 0.000 0.512 256 V N -0.319 119.602 119.914 0.011 0.000 2.448 256 V HA 0.506 4.626 4.120 0.000 0.000 0.295 256 V C -0.360 175.753 176.094 0.031 0.000 1.025 256 V CA -0.472 61.848 62.300 0.032 0.000 0.859 256 V CB 1.571 33.403 31.823 0.015 0.000 0.988 256 V HN 0.518 nan 8.190 nan 0.000 0.431 257 V N 3.977 123.923 119.914 0.054 0.000 2.656 257 V HA 0.595 4.715 4.120 0.000 0.000 0.307 257 V C -0.549 175.560 176.094 0.026 0.000 1.051 257 V CA -0.812 61.509 62.300 0.035 0.000 0.893 257 V CB 2.074 33.916 31.823 0.032 0.000 0.999 257 V HN 0.912 nan 8.190 nan 0.000 0.426 258 E N 1.904 122.112 120.200 0.013 0.000 2.238 258 E HA 0.640 4.990 4.350 0.000 0.000 0.267 258 E C -1.351 175.250 176.600 0.003 0.000 0.887 258 E CA -0.808 55.597 56.400 0.010 0.000 0.769 258 E CB 2.768 32.472 29.700 0.008 0.000 1.187 258 E HN 0.474 nan 8.360 nan 0.000 0.416 259 V N 2.779 122.694 119.914 0.001 0.000 2.432 259 V HA 0.164 4.284 4.120 0.000 0.000 0.275 259 V C -0.183 175.910 176.094 -0.002 0.000 1.043 259 V CA -0.297 62.001 62.300 -0.003 0.000 0.925 259 V CB 0.959 32.779 31.823 -0.005 0.000 0.985 259 V HN 0.639 nan 8.190 nan 0.000 0.466 260 E N 4.922 125.120 120.200 -0.003 0.000 2.158 260 E HA 0.529 4.879 4.350 0.000 0.000 0.271 260 E C -0.648 175.950 176.600 -0.004 0.000 0.911 260 E CA -0.502 55.896 56.400 -0.003 0.000 0.767 260 E CB 1.896 31.595 29.700 -0.003 0.000 1.120 260 E HN 0.871 nan 8.360 nan 0.000 0.405 261 E N 2.361 122.559 120.200 -0.003 0.000 2.416 261 E HA 0.449 4.799 4.350 0.000 0.000 0.273 261 E C -1.198 175.400 176.600 -0.003 0.000 0.935 261 E CA -0.934 55.464 56.400 -0.004 0.000 0.784 261 E CB 1.987 31.685 29.700 -0.004 0.000 1.301 261 E HN 0.386 nan 8.360 nan 0.000 0.454 262 D N -0.501 119.896 120.400 -0.004 0.000 2.714 262 D HA 0.160 4.800 4.640 0.000 0.000 0.278 262 D C 0.544 176.842 176.300 -0.003 0.000 1.102 262 D CA -0.444 53.554 54.000 -0.003 0.000 1.108 262 D CB 0.869 41.667 40.800 -0.003 0.000 1.444 262 D HN 0.345 nan 8.370 nan 0.000 0.568 263 S N -1.072 114.626 115.700 -0.003 0.000 2.515 263 S HA -0.046 4.424 4.470 0.000 0.000 0.231 263 S C 1.284 175.882 174.600 -0.003 0.000 0.987 263 S CA 0.141 58.340 58.200 -0.002 0.000 0.936 263 S CB -0.437 62.761 63.200 -0.002 0.000 0.766 263 S HN 0.477 nan 8.310 nan 0.000 0.528 264 R N 0.802 121.300 120.500 -0.003 0.000 2.310 264 R HA 0.289 4.629 4.340 0.000 0.000 0.202 264 R C 1.585 177.882 176.300 -0.004 0.000 0.933 264 R CA 0.421 56.519 56.100 -0.004 0.000 1.054 264 R CB -0.275 30.022 30.300 -0.004 0.000 0.985 264 R HN 0.552 nan 8.270 nan 0.000 0.489 265 G N 1.796 110.593 108.800 -0.004 0.000 2.157 265 G HA2 -0.362 3.598 3.960 0.000 0.000 0.248 265 G HA3 -0.362 3.598 3.960 0.000 0.000 0.248 265 G C 0.115 175.011 174.900 -0.006 0.000 0.979 265 G CA 0.077 45.173 45.100 -0.005 0.000 0.650 265 G HN 0.387 nan 8.290 nan 0.000 0.529 266 R N 0.932 121.428 120.500 -0.006 0.000 2.522 266 R HA 0.445 4.785 4.340 0.000 0.000 0.284 266 R C -0.578 175.717 176.300 -0.008 0.000 1.032 266 R CA 1.035 57.130 56.100 -0.007 0.000 1.049 266 R CB 0.202 30.497 30.300 -0.007 0.000 0.956 266 R HN 0.135 nan 8.270 nan 0.000 0.422 267 T N 2.402 116.950 114.554 -0.009 0.000 2.893 267 T HA 0.410 4.760 4.350 0.000 0.000 0.293 267 T C -1.199 173.494 174.700 -0.012 0.000 1.027 267 T CA -0.607 61.487 62.100 -0.010 0.000 0.988 267 T CB 1.954 70.815 68.868 -0.011 0.000 1.043 267 T HN 0.515 nan 8.240 nan 0.000 0.461 268 S N 1.749 117.442 115.700 -0.011 0.000 2.549 268 S HA 0.655 5.126 4.470 0.000 0.000 0.280 268 S C -0.988 173.606 174.600 -0.010 0.000 1.109 268 S CA -0.804 57.389 58.200 -0.011 0.000 0.905 268 S CB 1.055 64.250 63.200 -0.009 0.000 1.081 268 S HN 0.501 nan 8.310 nan 0.000 0.477 269 L N 2.017 123.234 121.223 -0.011 0.000 2.309 269 L HA 0.710 5.050 4.340 0.000 0.000 0.282 269 L C -0.962 175.909 176.870 0.001 0.000 1.036 269 L CA -0.910 53.925 54.840 -0.008 0.000 0.806 269 L CB 1.354 43.404 42.059 -0.015 0.000 1.220 269 L HN 0.291 nan 8.230 nan 0.000 0.429 270 V N 4.487 124.403 119.914 0.003 0.000 2.407 270 V HA 0.403 4.523 4.120 0.000 0.000 0.291 270 V C 0.004 176.102 176.094 0.007 0.000 1.018 270 V CA -0.301 62.002 62.300 0.005 0.000 0.842 270 V CB 1.878 33.701 31.823 0.000 0.000 0.996 270 V HN 0.525 nan 8.190 nan 0.000 0.426 271 I N 4.814 125.391 120.570 0.011 0.000 2.304 271 I HA 0.298 4.468 4.170 0.000 0.000 0.291 271 I C 1.215 177.307 176.117 -0.042 0.000 1.018 271 I CA 0.010 61.308 61.300 -0.003 0.000 1.260 271 I CB 1.787 39.806 38.000 0.030 0.000 1.390 271 I HN 0.794 nan 8.210 nan 0.000 0.475 272 T N 0.729 115.257 114.554 -0.043 0.000 3.010 272 T HA 0.347 4.697 4.350 0.000 0.000 0.257 272 T C 0.382 175.046 174.700 -0.060 0.000 1.020 272 T CA -0.161 61.910 62.100 -0.048 0.000 0.938 272 T CB 0.217 69.072 68.868 -0.020 0.000 1.049 272 T HN 0.531 nan 8.240 nan 0.000 0.522 273 E N 0.398 120.554 120.200 -0.072 0.000 2.366 273 E HA 0.680 5.030 4.350 0.000 0.000 0.278 273 E C -1.664 174.864 176.600 -0.119 0.000 0.923 273 E CA -0.804 55.557 56.400 -0.065 0.000 0.761 273 E CB 2.675 32.366 29.700 -0.015 0.000 1.231 273 E HN 0.132 nan 8.360 nan 0.000 0.443 274 L N 1.762 122.910 121.223 -0.125 0.000 2.309 274 L HA 0.572 4.912 4.340 0.000 0.000 0.261 274 L C -2.416 174.396 176.870 -0.097 0.000 1.021 274 L CA -2.352 52.375 54.840 -0.188 0.000 0.823 274 L CB 1.957 43.839 42.059 -0.296 0.000 1.366 274 L HN 0.273 nan 8.230 nan 0.000 0.423 275 P HA -0.071 nan 4.420 nan 0.000 0.270 275 P C -1.088 176.154 177.300 -0.097 0.000 1.227 275 P CA -0.131 62.895 63.100 -0.124 0.000 0.788 275 P CB 0.206 31.833 31.700 -0.123 0.000 0.926 276 Y N 2.031 122.079 120.300 -0.420 0.000 2.811 276 Y HA -0.120 4.430 4.550 0.000 0.000 0.334 276 Y C 1.386 177.194 175.900 -0.153 0.000 1.247 276 Y CA 0.900 58.791 58.100 -0.348 0.000 1.526 276 Y CB -0.437 37.541 38.460 -0.803 0.000 1.284 276 Y HN 0.532 nan 8.280 nan 0.000 0.586 277 Q N 1.059 120.597 119.800 -0.437 0.000 2.452 277 Q HA -0.196 4.144 4.340 0.000 0.000 0.248 277 Q C -0.689 175.211 176.000 -0.167 0.000 0.874 277 Q CA 0.766 56.335 55.803 -0.391 0.000 1.208 277 Q CB -1.909 26.497 28.738 -0.554 0.000 1.569 277 Q HN 0.377 nan 8.270 nan 0.000 0.579 278 V N 2.269 122.125 119.914 -0.097 0.000 2.389 278 V HA 0.128 4.248 4.120 0.000 0.000 0.264 278 V C 0.629 176.738 176.094 0.025 0.000 1.049 278 V CA -0.452 61.825 62.300 -0.039 0.000 0.932 278 V CB 1.206 32.985 31.823 -0.073 0.000 1.011 278 V HN 0.226 nan 8.190 nan 0.000 0.475 279 N N 4.087 122.808 118.700 0.035 0.000 2.475 279 N HA 0.057 4.797 4.740 0.000 0.000 0.267 279 N C 1.159 176.762 175.510 0.155 0.000 1.169 279 N CA 0.301 53.370 53.050 0.032 0.000 0.947 279 N CB 0.518 39.016 38.487 0.019 0.000 1.061 279 N HN 0.718 nan 8.380 nan 0.000 0.466 280 H N 2.073 121.128 119.070 -0.025 0.000 2.353 280 H HA -0.103 4.453 4.556 0.000 0.000 0.300 280 H C 0.458 175.841 175.328 0.092 0.000 1.090 280 H CA 0.948 57.013 56.048 0.028 0.000 1.327 280 H CB 0.564 30.296 29.762 -0.049 0.000 1.383 280 H HN 0.605 nan 8.280 nan 0.000 0.508 281 D N 0.245 120.740 120.400 0.158 0.000 2.117 281 D HA -0.100 4.540 4.640 0.000 0.000 0.198 281 D C 1.611 177.958 176.300 0.079 0.000 0.982 281 D CA 0.862 54.916 54.000 0.090 0.000 0.828 281 D CB -0.355 40.467 40.800 0.036 0.000 0.967 281 D HN 0.462 nan 8.370 nan 0.000 0.464 282 N N -0.271 118.482 118.700 0.088 0.000 2.244 282 N HA -0.116 4.624 4.740 0.000 0.000 0.183 282 N C 1.632 177.203 175.510 0.101 0.000 1.016 282 N CA 0.212 53.304 53.050 0.070 0.000 0.866 282 N CB -0.096 38.428 38.487 0.061 0.000 0.980 282 N HN 0.053 nan 8.380 nan 0.000 0.430 283 F N 2.037 121.996 119.950 0.015 0.000 2.102 283 F HA -0.068 4.459 4.527 0.000 0.000 0.298 283 F C 1.893 177.693 175.800 0.000 0.000 1.105 283 F CA 1.188 59.194 58.000 0.010 0.000 1.239 283 F CB -0.292 38.715 39.000 0.013 0.000 0.991 283 F HN -0.075 nan 8.300 nan 0.000 0.474 284 I N -0.246 120.266 120.570 -0.097 0.000 2.226 284 I HA -0.322 3.848 4.170 0.000 0.000 0.245 284 I C 2.253 178.252 176.117 -0.196 0.000 1.100 284 I CA 1.806 62.977 61.300 -0.215 0.000 1.374 284 I CB -0.853 37.124 38.000 -0.038 0.000 1.057 284 I HN 0.158 nan 8.210 nan 0.000 0.413 285 T N 0.113 114.606 114.554 -0.101 0.000 2.759 285 T HA -0.186 4.164 4.350 0.000 0.000 0.269 285 T C 2.084 176.719 174.700 -0.109 0.000 1.042 285 T CA 1.808 63.859 62.100 -0.082 0.000 1.140 285 T CB -0.320 68.525 68.868 -0.038 0.000 0.864 285 T HN 0.561 nan 8.240 nan 0.000 0.455 286 S N 1.278 116.900 115.700 -0.131 0.000 2.382 286 S HA -0.043 4.427 4.470 0.000 0.000 0.228 286 S C 2.072 176.572 174.600 -0.167 0.000 1.027 286 S CA 0.780 58.908 58.200 -0.119 0.000 0.991 286 S CB -0.737 62.418 63.200 -0.076 0.000 0.823 286 S HN 0.528 nan 8.310 nan 0.000 0.469 287 I N 2.306 122.704 120.570 -0.286 0.000 2.202 287 I HA -0.117 4.053 4.170 0.000 0.000 0.242 287 I C 3.156 179.178 176.117 -0.158 0.000 1.091 287 I CA 1.144 62.292 61.300 -0.254 0.000 1.368 287 I CB -0.794 36.994 38.000 -0.355 0.000 1.058 287 I HN 0.437 nan 8.210 nan 0.000 0.410 288 A N 0.563 123.296 122.820 -0.145 0.000 1.908 288 A HA -0.253 4.068 4.320 0.000 0.000 0.218 288 A C 2.199 179.735 177.584 -0.081 0.000 1.181 288 A CA 1.937 53.915 52.037 -0.098 0.000 0.627 288 A CB -0.636 18.314 19.000 -0.083 0.000 0.818 288 A HN 0.482 nan 8.150 nan 0.000 0.445 289 E N -0.698 119.454 120.200 -0.080 0.000 2.072 289 E HA -0.168 4.183 4.350 0.000 0.000 0.191 289 E C 2.245 178.804 176.600 -0.067 0.000 0.985 289 E CA 1.045 57.407 56.400 -0.063 0.000 0.801 289 E CB -0.132 29.537 29.700 -0.052 0.000 0.750 289 E HN 0.562 nan 8.360 nan 0.000 0.452 290 Q N 0.293 120.046 119.800 -0.078 0.000 2.167 290 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 290 Q C 2.375 178.320 176.000 -0.092 0.000 0.970 290 Q CA 0.842 56.593 55.803 -0.086 0.000 0.855 290 Q CB -0.096 28.594 28.738 -0.080 0.000 0.911 290 Q HN 0.218 nan 8.270 nan 0.000 0.438 291 V N 0.974 120.839 119.914 -0.083 0.000 2.323 291 V HA -0.202 3.918 4.120 0.000 0.000 0.244 291 V C 2.521 178.577 176.094 -0.063 0.000 1.041 291 V CA 1.719 63.975 62.300 -0.073 0.000 1.025 291 V CB -0.557 31.226 31.823 -0.068 0.000 0.656 291 V HN 0.306 nan 8.190 nan 0.000 0.451 292 R N 0.294 120.758 120.500 -0.059 0.000 2.127 292 R HA -0.181 4.159 4.340 0.000 0.000 0.238 292 R C 0.921 177.192 176.300 -0.049 0.000 1.134 292 R CA 1.890 57.961 56.100 -0.049 0.000 0.975 292 R CB -0.172 30.101 30.300 -0.045 0.000 0.865 292 R HN 0.482 nan 8.270 nan 0.000 0.447 293 D N -1.318 119.047 120.400 -0.058 0.000 2.395 293 D HA 0.184 4.824 4.640 0.000 0.000 0.226 293 D C 0.716 176.974 176.300 -0.071 0.000 1.146 293 D CA 0.734 54.699 54.000 -0.058 0.000 0.830 293 D CB 0.851 41.618 40.800 -0.055 0.000 0.958 293 D HN 0.490 nan 8.370 nan 0.000 0.501 294 G N 0.657 109.413 108.800 -0.073 0.000 2.175 294 G HA2 -0.302 3.658 3.960 0.000 0.000 0.244 294 G HA3 -0.302 3.658 3.960 0.000 0.000 0.244 294 G C 0.521 175.357 174.900 -0.107 0.000 0.982 294 G CA 0.030 45.085 45.100 -0.076 0.000 0.641 294 G HN 0.367 nan 8.290 nan 0.000 0.527 295 K N -0.255 120.052 120.400 -0.154 0.000 2.209 295 K HA 0.770 5.090 4.320 0.000 0.000 0.238 295 K C 1.160 177.681 176.600 -0.132 0.000 1.028 295 K CA -0.586 55.571 56.287 -0.218 0.000 0.935 295 K CB 0.602 32.820 32.500 -0.470 0.000 1.162 295 K HN 0.432 nan 8.250 nan 0.000 0.485 296 L N 0.146 121.312 121.223 -0.096 0.000 3.677 296 L HA -0.283 4.057 4.340 0.000 0.000 0.464 296 L C 0.966 177.808 176.870 -0.048 0.000 1.278 296 L CA 0.234 55.046 54.840 -0.047 0.000 0.806 296 L CB -1.721 40.307 42.059 -0.052 0.000 1.610 296 L HN 0.906 nan 8.230 nan 0.000 0.867 297 A N -0.072 122.723 122.820 -0.042 0.000 2.172 297 A HA 0.138 4.458 4.320 0.000 0.000 0.216 297 A C 2.006 179.572 177.584 -0.029 0.000 1.154 297 A CA 1.532 53.548 52.037 -0.036 0.000 0.701 297 A CB -0.204 18.778 19.000 -0.031 0.000 0.789 297 A HN 0.717 nan 8.150 nan 0.000 0.465 298 G N -0.887 107.897 108.800 -0.026 0.000 2.985 298 G HA2 0.329 4.289 3.960 0.000 0.000 0.209 298 G HA3 0.329 4.289 3.960 0.000 0.000 0.209 298 G C 0.421 175.305 174.900 -0.028 0.000 1.165 298 G CA -0.132 44.954 45.100 -0.024 0.000 0.776 298 G HN 0.424 nan 8.290 nan 0.000 0.541 299 I N 1.522 122.072 120.570 -0.033 0.000 2.353 299 I HA 0.156 4.326 4.170 0.000 0.000 0.293 299 I C 1.430 177.526 176.117 -0.034 0.000 0.992 299 I CA -0.362 60.916 61.300 -0.036 0.000 1.268 299 I CB 2.089 40.061 38.000 -0.046 0.000 1.387 299 I HN 0.133 nan 8.210 nan 0.000 0.478 300 S N 3.878 119.560 115.700 -0.031 0.000 2.497 300 S HA 0.192 4.662 4.470 0.000 0.000 0.221 300 S C 0.432 175.015 174.600 -0.029 0.000 1.037 300 S CA -0.054 58.129 58.200 -0.028 0.000 0.920 300 S CB 0.192 63.379 63.200 -0.023 0.000 0.800 300 S HN 0.700 nan 8.310 nan 0.000 0.505 301 N N -0.387 118.294 118.700 -0.031 0.000 2.598 301 N HA 0.556 5.296 4.740 0.000 0.000 0.263 301 N C -2.079 173.409 175.510 -0.036 0.000 1.254 301 N CA -0.654 52.377 53.050 -0.032 0.000 0.863 301 N CB 2.069 40.541 38.487 -0.025 0.000 1.586 301 N HN 0.410 nan 8.380 nan 0.000 0.491 302 I N 0.046 120.592 120.570 -0.039 0.000 2.582 302 I HA 0.591 4.761 4.170 0.000 0.000 0.292 302 I C -1.340 174.758 176.117 -0.032 0.000 1.066 302 I CA -0.385 60.890 61.300 -0.042 0.000 1.053 302 I CB 1.701 39.661 38.000 -0.067 0.000 1.241 302 I HN 0.563 nan 8.210 nan 0.000 0.421 303 E N 5.219 125.406 120.200 -0.022 0.000 2.290 303 E HA 0.213 4.563 4.350 0.000 0.000 0.274 303 E C -1.835 174.759 176.600 -0.009 0.000 0.889 303 E CA -0.727 55.663 56.400 -0.016 0.000 0.760 303 E CB 1.513 31.205 29.700 -0.013 0.000 1.206 303 E HN 0.619 nan 8.360 nan 0.000 0.419 304 D N 3.524 123.920 120.400 -0.006 0.000 2.365 304 D HA 0.097 4.737 4.640 0.000 0.000 0.237 304 D C -0.304 175.995 176.300 -0.003 0.000 1.190 304 D CA 0.182 54.182 54.000 -0.001 0.000 0.867 304 D CB 1.049 41.852 40.800 0.005 0.000 1.050 304 D HN 0.441 nan 8.370 nan 0.000 0.491 305 Q N 1.640 121.438 119.800 -0.004 0.000 2.189 305 Q HA 0.184 4.524 4.340 0.000 0.000 0.221 305 Q C 0.027 176.025 176.000 -0.004 0.000 0.848 305 Q CA -0.374 55.427 55.803 -0.004 0.000 1.007 305 Q CB 0.640 29.376 28.738 -0.004 0.000 1.116 305 Q HN 0.294 nan 8.270 nan 0.000 0.481 306 S N 1.364 117.062 115.700 -0.004 0.000 2.572 306 S HA 0.292 4.762 4.470 0.000 0.000 0.279 306 S C 0.239 174.840 174.600 0.002 0.000 1.341 306 S CA -0.218 57.980 58.200 -0.003 0.000 1.043 306 S CB 0.879 64.080 63.200 0.002 0.000 0.887 306 S HN 0.445 nan 8.310 nan 0.000 0.516 307 S N 0.521 116.224 115.700 0.004 0.000 2.625 307 S HA 0.403 4.873 4.470 0.000 0.000 0.271 307 S C -0.077 174.530 174.600 0.011 0.000 1.161 307 S CA -0.810 57.393 58.200 0.006 0.000 0.820 307 S CB 1.029 64.233 63.200 0.005 0.000 1.137 307 S HN 0.381 nan 8.310 nan 0.000 0.470 308 D N 0.629 121.037 120.400 0.013 0.000 2.182 308 D HA -0.069 4.571 4.640 0.000 0.000 0.201 308 D C 1.835 178.147 176.300 0.020 0.000 0.986 308 D CA 1.245 55.257 54.000 0.020 0.000 0.847 308 D CB -0.160 40.653 40.800 0.022 0.000 0.942 308 D HN 0.623 nan 8.370 nan 0.000 0.467 309 R N 0.389 120.898 120.500 0.015 0.000 2.093 309 R HA -0.068 4.272 4.340 0.000 0.000 0.224 309 R C 1.803 178.111 176.300 0.014 0.000 1.101 309 R CA 1.257 57.365 56.100 0.015 0.000 0.979 309 R CB 0.203 30.510 30.300 0.011 0.000 0.877 309 R HN 0.216 nan 8.270 nan 0.000 0.441 310 V N -2.821 117.100 119.914 0.011 0.000 3.643 310 V HA 0.443 4.563 4.120 0.000 0.000 0.280 310 V C 0.928 177.028 176.094 0.010 0.000 1.351 310 V CA 0.285 62.591 62.300 0.009 0.000 1.073 310 V CB -0.053 31.772 31.823 0.004 0.000 0.863 310 V HN 0.548 nan 8.190 nan 0.000 0.436 311 G N 1.279 110.087 108.800 0.015 0.000 2.539 311 G HA2 -0.248 3.712 3.960 0.000 0.000 0.256 311 G HA3 -0.248 3.712 3.960 0.000 0.000 0.256 311 G C -0.515 174.389 174.900 0.006 0.000 1.233 311 G CA 0.123 45.235 45.100 0.019 0.000 0.936 311 G HN 1.055 nan 8.290 nan 0.000 0.571 312 L N 1.190 122.409 121.223 -0.005 0.000 2.410 312 L HA 0.703 5.043 4.340 0.000 0.000 0.273 312 L C 0.793 177.628 176.870 -0.058 0.000 1.152 312 L CA 0.774 55.576 54.840 -0.063 0.000 0.855 312 L CB 0.702 42.662 42.059 -0.165 0.000 1.129 312 L HN 0.810 nan 8.230 nan 0.000 0.463 313 R N 6.193 126.661 120.500 -0.052 0.000 2.921 313 R HA 0.415 4.755 4.340 0.000 0.000 0.269 313 R C -1.749 174.538 176.300 -0.021 0.000 1.696 313 R CA -0.373 55.709 56.100 -0.030 0.000 1.161 313 R CB 0.375 30.666 30.300 -0.015 0.000 1.337 313 R HN 0.742 nan 8.270 nan 0.000 0.496 314 I N 4.265 124.827 120.570 -0.013 0.000 2.321 314 I HA 0.320 4.490 4.170 0.000 0.000 0.291 314 I C -0.231 175.898 176.117 0.020 0.000 0.998 314 I CA -1.055 60.256 61.300 0.018 0.000 1.227 314 I CB 1.966 40.014 38.000 0.079 0.000 1.368 314 I HN 0.150 nan 8.210 nan 0.000 0.466 315 V N 7.879 127.798 119.914 0.008 0.000 2.384 315 V HA 0.438 4.558 4.120 0.000 0.000 0.287 315 V C -0.006 176.085 176.094 -0.005 0.000 1.020 315 V CA -0.420 61.880 62.300 0.001 0.000 0.850 315 V CB 1.664 33.484 31.823 -0.004 0.000 0.987 315 V HN 0.486 nan 8.190 nan 0.000 0.436 316 I N 4.110 124.676 120.570 -0.006 0.000 2.382 316 I HA 0.390 4.560 4.170 0.000 0.000 0.285 316 I C 0.205 176.310 176.117 -0.019 0.000 1.007 316 I CA -0.316 60.973 61.300 -0.018 0.000 1.142 316 I CB 1.646 39.636 38.000 -0.018 0.000 1.289 316 I HN 0.669 nan 8.210 nan 0.000 0.453 317 E N 7.537 127.724 120.200 -0.021 0.000 2.313 317 E HA 0.437 4.787 4.350 0.000 0.000 0.276 317 E C -0.717 175.870 176.600 -0.022 0.000 1.031 317 E CA -0.579 55.809 56.400 -0.019 0.000 0.857 317 E CB 1.269 30.958 29.700 -0.018 0.000 1.040 317 E HN 0.616 nan 8.360 nan 0.000 0.408 318 I N 0.290 120.848 120.570 -0.020 0.000 2.707 318 I HA 0.478 4.648 4.170 0.000 0.000 0.309 318 I C -0.439 175.666 176.117 -0.019 0.000 1.001 318 I CA -1.151 60.136 61.300 -0.022 0.000 1.129 318 I CB 1.571 39.557 38.000 -0.023 0.000 1.308 318 I HN 0.305 nan 8.210 nan 0.000 0.466 319 K N 2.629 123.018 120.400 -0.019 0.000 2.258 319 K HA 0.249 4.569 4.320 0.000 0.000 0.264 319 K C 0.924 177.516 176.600 -0.014 0.000 1.007 319 K CA -0.591 55.686 56.287 -0.017 0.000 0.941 319 K CB 0.651 33.141 32.500 -0.017 0.000 0.966 319 K HN 0.525 nan 8.250 nan 0.000 0.480 320 R N 1.686 122.179 120.500 -0.012 0.000 2.117 320 R HA -0.163 4.177 4.340 0.000 0.000 0.243 320 R C 0.973 177.268 176.300 -0.010 0.000 1.143 320 R CA 1.876 57.970 56.100 -0.010 0.000 0.968 320 R CB -0.452 29.843 30.300 -0.009 0.000 0.863 320 R HN 0.764 nan 8.270 nan 0.000 0.444 321 D N -1.074 119.320 120.400 -0.010 0.000 2.328 321 D HA 0.113 4.753 4.640 0.000 0.000 0.221 321 D C -0.015 176.279 176.300 -0.010 0.000 1.072 321 D CA -0.089 53.906 54.000 -0.009 0.000 0.850 321 D CB 0.080 40.875 40.800 -0.009 0.000 0.922 321 D HN 0.055 nan 8.370 nan 0.000 0.516 322 A N 0.070 122.883 122.820 -0.011 0.000 2.306 322 A HA 0.608 4.928 4.320 0.000 0.000 0.330 322 A C -0.393 177.183 177.584 -0.012 0.000 1.146 322 A CA -0.755 51.274 52.037 -0.013 0.000 0.827 322 A CB 1.552 20.542 19.000 -0.016 0.000 1.178 322 A HN 0.060 nan 8.150 nan 0.000 0.490 323 V N 2.312 122.219 119.914 -0.012 0.000 2.383 323 V HA 0.387 4.508 4.120 0.000 0.000 0.275 323 V C 1.475 177.558 176.094 -0.018 0.000 1.036 323 V CA 0.308 62.601 62.300 -0.012 0.000 0.889 323 V CB 0.692 32.509 31.823 -0.009 0.000 0.985 323 V HN 1.184 nan 8.190 nan 0.000 0.459 324 A N 4.791 127.600 122.820 -0.019 0.000 1.917 324 A HA -0.189 4.132 4.320 0.000 0.000 0.219 324 A C 2.054 179.615 177.584 -0.039 0.000 1.182 324 A CA 1.876 53.897 52.037 -0.028 0.000 0.633 324 A CB -0.351 18.636 19.000 -0.022 0.000 0.819 324 A HN 0.822 nan 8.150 nan 0.000 0.448 325 K N -0.695 119.688 120.400 -0.029 0.000 2.288 325 K HA 0.041 4.361 4.320 0.000 0.000 0.201 325 K C 1.756 178.331 176.600 -0.042 0.000 1.048 325 K CA 0.946 57.213 56.287 -0.033 0.000 0.956 325 K CB -0.115 32.379 32.500 -0.009 0.000 0.746 325 K HN 0.349 nan 8.250 nan 0.000 0.461 326 V N 0.593 120.489 119.914 -0.030 0.000 2.379 326 V HA -0.186 3.935 4.120 0.000 0.000 0.245 326 V C 2.144 178.214 176.094 -0.040 0.000 1.044 326 V CA 1.293 63.579 62.300 -0.024 0.000 1.036 326 V CB -0.118 31.698 31.823 -0.010 0.000 0.664 326 V HN 0.039 nan 8.190 nan 0.000 0.453 327 V N 0.043 119.929 119.914 -0.046 0.000 2.407 327 V HA -0.254 3.866 4.120 0.000 0.000 0.248 327 V C 2.198 178.226 176.094 -0.110 0.000 1.055 327 V CA 2.013 64.280 62.300 -0.055 0.000 1.049 327 V CB -0.543 31.253 31.823 -0.046 0.000 0.662 327 V HN 0.438 nan 8.190 nan 0.000 0.455 328 I N 0.501 120.972 120.570 -0.166 0.000 2.163 328 I HA -0.277 3.893 4.170 0.000 0.000 0.243 328 I C 2.443 178.243 176.117 -0.528 0.000 1.085 328 I CA 2.077 63.166 61.300 -0.352 0.000 1.347 328 I CB -0.535 37.266 38.000 -0.332 0.000 1.044 328 I HN 0.366 nan 8.210 nan 0.000 0.408 329 N N 1.278 119.807 118.700 -0.285 0.000 2.149 329 N HA -0.198 4.542 4.740 0.000 0.000 0.188 329 N C 1.456 176.924 175.510 -0.068 0.000 1.019 329 N CA 1.711 54.681 53.050 -0.134 0.000 0.857 329 N CB -0.261 38.223 38.487 -0.005 0.000 0.997 329 N HN 0.337 nan 8.380 nan 0.000 0.426 330 N N -0.707 117.968 118.700 -0.042 0.000 2.309 330 N HA -0.025 4.715 4.740 0.000 0.000 0.182 330 N C 1.354 176.903 175.510 0.064 0.000 1.018 330 N CA 0.483 53.567 53.050 0.056 0.000 0.876 330 N CB 0.031 38.587 38.487 0.115 0.000 0.972 330 N HN 0.224 nan 8.380 nan 0.000 0.434 331 L N -0.323 120.883 121.223 -0.029 0.000 2.109 331 L HA -0.119 4.221 4.340 0.000 0.000 0.207 331 L C 1.620 178.551 176.870 0.101 0.000 1.086 331 L CA 0.780 55.633 54.840 0.022 0.000 0.760 331 L CB -0.340 41.703 42.059 -0.026 0.000 0.910 331 L HN 0.215 nan 8.230 nan 0.000 0.437 332 Y N 0.578 120.899 120.300 0.035 0.000 2.181 332 Y HA -0.205 4.345 4.550 0.000 0.000 0.288 332 Y C 2.516 178.388 175.900 -0.046 0.000 1.146 332 Y CA 0.777 58.882 58.100 0.007 0.000 1.164 332 Y CB -0.667 37.789 38.460 -0.007 0.000 0.982 332 Y HN 0.102 nan 8.280 nan 0.000 0.515 333 K N -1.133 119.273 120.400 0.011 0.000 2.062 333 K HA -0.107 4.213 4.320 0.000 0.000 0.205 333 K C 1.316 177.735 176.600 -0.301 0.000 1.051 333 K CA 1.372 57.517 56.287 -0.237 0.000 0.941 333 K CB -0.132 32.042 32.500 -0.544 0.000 0.719 333 K HN 0.383 nan 8.250 nan 0.000 0.440 334 H N -0.445 118.667 119.070 0.070 0.000 2.652 334 H HA 0.124 4.680 4.556 0.000 0.000 0.274 334 H C 0.579 175.939 175.328 0.053 0.000 1.021 334 H CA 0.634 56.709 56.048 0.044 0.000 1.187 334 H CB 0.709 30.481 29.762 0.016 0.000 1.505 334 H HN 0.232 nan 8.280 nan 0.000 0.530 335 T N -3.006 111.654 114.554 0.177 0.000 2.812 335 T HA 0.228 4.578 4.350 0.000 0.000 0.294 335 T C 0.540 175.379 174.700 0.232 0.000 1.159 335 T CA -0.849 61.370 62.100 0.198 0.000 1.008 335 T CB 2.231 71.232 68.868 0.222 0.000 1.289 335 T HN -0.025 nan 8.240 nan 0.000 0.514 336 Q N 0.127 120.102 119.800 0.293 0.000 2.329 336 Q HA 0.148 4.489 4.340 0.000 0.000 0.208 336 Q C 1.416 177.481 176.000 0.108 0.000 0.934 336 Q CA -0.177 55.732 55.803 0.176 0.000 0.951 336 Q CB -0.182 28.641 28.738 0.142 0.000 1.017 336 Q HN 0.555 nan 8.270 nan 0.000 0.490 337 L N 0.943 122.308 121.223 0.238 0.000 2.127 337 L HA -0.162 4.178 4.340 0.000 0.000 0.211 337 L C 0.781 177.732 176.870 0.134 0.000 1.089 337 L CA 1.726 56.642 54.840 0.126 0.000 0.757 337 L CB -0.043 42.203 42.059 0.311 0.000 0.899 337 L HN 0.193 nan 8.230 nan 0.000 0.434 338 Q N -0.961 118.934 119.800 0.158 0.000 2.340 338 Q HA 0.533 4.873 4.340 0.000 0.000 0.268 338 Q C -0.860 175.148 176.000 0.014 0.000 1.031 338 Q CA -0.509 55.295 55.803 0.002 0.000 0.804 338 Q CB 1.853 30.513 28.738 -0.131 0.000 1.286 338 Q HN 0.059 nan 8.270 nan 0.000 0.448 339 T N 1.396 115.941 114.554 -0.014 0.000 2.885 339 T HA 0.353 4.703 4.350 0.000 0.000 0.322 339 T C -1.490 173.216 174.700 0.010 0.000 1.387 339 T CA -0.529 61.572 62.100 0.002 0.000 1.041 339 T CB 1.971 70.842 68.868 0.005 0.000 1.287 339 T HN 0.645 nan 8.240 nan 0.000 0.491 340 S N 1.972 117.682 115.700 0.017 0.000 2.537 340 S HA 0.565 5.035 4.470 0.000 0.000 0.275 340 S C -0.640 174.005 174.600 0.075 0.000 1.272 340 S CA -0.528 57.700 58.200 0.046 0.000 1.050 340 S CB 0.008 63.221 63.200 0.022 0.000 0.961 340 S HN 0.505 nan 8.310 nan 0.000 0.496 341 F N 4.761 124.714 119.950 0.005 0.000 2.335 341 F HA 0.534 5.061 4.527 0.000 0.000 0.365 341 F C 0.758 176.582 175.800 0.041 0.000 1.122 341 F CA -0.835 57.188 58.000 0.039 0.000 1.151 341 F CB 0.110 39.178 39.000 0.112 0.000 1.282 341 F HN 0.644 nan 8.300 nan 0.000 0.513 342 G N 6.010 114.672 108.800 -0.231 0.000 2.741 342 G HA2 0.446 4.406 3.960 0.000 0.000 0.301 342 G HA3 0.446 4.406 3.960 0.000 0.000 0.301 342 G C -0.055 174.751 174.900 -0.157 0.000 0.834 342 G CA -0.222 44.808 45.100 -0.117 0.000 1.683 342 G HN 0.956 nan 8.290 nan 0.000 0.506 343 A N 2.643 125.521 122.820 0.095 0.000 2.462 343 A HA 0.494 4.814 4.320 0.000 0.000 0.243 343 A C 0.456 178.094 177.584 0.090 0.000 1.076 343 A CA -0.285 51.877 52.037 0.209 0.000 0.773 343 A CB 0.405 19.633 19.000 0.380 0.000 1.010 343 A HN 0.656 nan 8.150 nan 0.000 0.493 344 N N 1.845 120.596 118.700 0.086 0.000 2.621 344 N HA 0.220 4.960 4.740 0.000 0.000 0.271 344 N C -1.067 174.495 175.510 0.086 0.000 1.181 344 N CA -0.179 52.906 53.050 0.059 0.000 0.805 344 N CB 0.586 39.079 38.487 0.009 0.000 1.351 344 N HN 0.528 nan 8.380 nan 0.000 0.539 345 M N 3.415 123.077 119.600 0.104 0.000 3.396 345 M HA 0.219 4.699 4.480 0.000 0.000 0.255 345 M C -0.628 175.722 176.300 0.083 0.000 1.398 345 M CA -0.620 54.751 55.300 0.118 0.000 1.554 345 M CB -0.128 32.562 32.600 0.149 0.000 1.070 345 M HN 0.334 nan 8.290 nan 0.000 0.587 346 L N 2.427 123.688 121.223 0.064 0.000 2.287 346 L HA 0.860 5.200 4.340 0.000 0.000 0.287 346 L C -0.666 176.222 176.870 0.030 0.000 1.022 346 L CA -0.047 54.817 54.840 0.040 0.000 0.814 346 L CB 1.190 43.265 42.059 0.027 0.000 1.217 346 L HN 0.560 nan 8.230 nan 0.000 0.420 347 A N 5.086 127.915 122.820 0.015 0.000 2.566 347 A HA 0.714 5.034 4.320 0.000 0.000 0.292 347 A C -1.067 176.494 177.584 -0.039 0.000 1.112 347 A CA -0.659 51.374 52.037 -0.008 0.000 0.707 347 A CB 0.932 19.930 19.000 -0.002 0.000 1.302 347 A HN 0.608 nan 8.150 nan 0.000 0.409 348 I N 1.165 121.700 120.570 -0.058 0.000 2.416 348 I HA 0.362 4.532 4.170 0.000 0.000 0.288 348 I C -0.762 175.269 176.117 -0.142 0.000 1.051 348 I CA -0.298 60.952 61.300 -0.084 0.000 1.375 348 I CB 1.338 39.295 38.000 -0.072 0.000 1.407 348 I HN 0.260 nan 8.210 nan 0.000 0.516 349 V N 5.613 125.420 119.914 -0.179 0.000 2.407 349 V HA 0.221 4.341 4.120 0.000 0.000 0.291 349 V C -0.146 175.815 176.094 -0.221 0.000 1.018 349 V CA -0.611 61.507 62.300 -0.303 0.000 0.842 349 V CB 1.255 32.786 31.823 -0.485 0.000 0.996 349 V HN 0.794 nan 8.190 nan 0.000 0.426 350 D N 4.399 124.682 120.400 -0.194 0.000 2.708 350 D HA -0.202 4.438 4.640 0.000 0.000 0.236 350 D C 1.377 177.622 176.300 -0.090 0.000 1.146 350 D CA 1.776 55.702 54.000 -0.123 0.000 0.662 350 D CB -0.910 39.828 40.800 -0.103 0.000 1.059 350 D HN 1.428 nan 8.370 nan 0.000 0.428 351 G N -2.224 106.522 108.800 -0.090 0.000 2.179 351 G HA2 -0.319 3.641 3.960 0.000 0.000 0.260 351 G HA3 -0.319 3.641 3.960 0.000 0.000 0.260 351 G C 0.360 175.227 174.900 -0.055 0.000 0.977 351 G CA 0.377 45.439 45.100 -0.064 0.000 0.641 351 G HN 0.619 nan 8.290 nan 0.000 0.533 352 V N 1.839 121.714 119.914 -0.065 0.000 2.417 352 V HA 0.534 4.654 4.120 0.000 0.000 0.291 352 V C -2.007 174.056 176.094 -0.052 0.000 1.024 352 V CA -1.867 60.404 62.300 -0.049 0.000 0.861 352 V CB 2.031 33.828 31.823 -0.044 0.000 0.985 352 V HN 0.077 nan 8.190 nan 0.000 0.436 353 P HA 0.418 nan 4.420 nan 0.000 0.271 353 P C -0.649 176.641 177.300 -0.018 0.000 1.216 353 P CA -0.196 62.889 63.100 -0.026 0.000 0.771 353 P CB 0.545 32.236 31.700 -0.014 0.000 0.864 354 R N 1.154 121.646 120.500 -0.013 0.000 2.651 354 R HA 0.461 4.801 4.340 0.000 0.000 0.278 354 R C -0.758 175.558 176.300 0.027 0.000 1.010 354 R CA -0.638 55.466 56.100 0.007 0.000 0.896 354 R CB 1.887 32.189 30.300 0.004 0.000 1.211 354 R HN 0.285 nan 8.270 nan 0.000 0.456 355 T N 3.896 118.473 114.554 0.038 0.000 2.743 355 T HA 0.424 4.774 4.350 0.000 0.000 0.293 355 T C -0.102 174.639 174.700 0.068 0.000 0.945 355 T CA -0.288 61.842 62.100 0.050 0.000 1.030 355 T CB 0.381 69.275 68.868 0.044 0.000 0.912 355 T HN 0.171 nan 8.240 nan 0.000 0.483 356 L N 3.260 124.533 121.223 0.084 0.000 2.342 356 L HA 0.600 4.940 4.340 0.000 0.000 0.271 356 L C 0.691 177.617 176.870 0.094 0.000 1.008 356 L CA -1.233 53.668 54.840 0.101 0.000 0.818 356 L CB 1.910 44.046 42.059 0.128 0.000 1.296 356 L HN 0.445 nan 8.230 nan 0.000 0.427 357 R N 0.515 121.062 120.500 0.078 0.000 2.580 357 R HA 0.196 4.536 4.340 0.000 0.000 0.267 357 R C 0.828 177.151 176.300 0.038 0.000 1.125 357 R CA -0.788 55.353 56.100 0.069 0.000 1.188 357 R CB 0.602 30.928 30.300 0.043 0.000 1.155 357 R HN 0.415 nan 8.270 nan 0.000 0.586 358 L N 1.712 122.940 121.223 0.009 0.000 2.093 358 L HA -0.170 4.170 4.340 0.000 0.000 0.208 358 L C 1.790 178.580 176.870 -0.134 0.000 1.085 358 L CA 1.929 56.690 54.840 -0.133 0.000 0.755 358 L CB -0.627 41.205 42.059 -0.379 0.000 0.904 358 L HN 0.761 nan 8.230 nan 0.000 0.435 359 D N -1.451 118.890 120.400 -0.098 0.000 2.178 359 D HA -0.268 4.373 4.640 0.000 0.000 0.202 359 D C 1.762 178.009 176.300 -0.088 0.000 0.974 359 D CA 1.352 55.298 54.000 -0.090 0.000 0.841 359 D CB -0.354 40.402 40.800 -0.074 0.000 0.953 359 D HN 0.561 nan 8.370 nan 0.000 0.478 360 Q N 0.140 119.896 119.800 -0.074 0.000 2.083 360 Q HA 0.037 4.377 4.340 0.000 0.000 0.198 360 Q C 2.697 178.692 176.000 -0.010 0.000 0.969 360 Q CA 0.612 56.343 55.803 -0.120 0.000 0.838 360 Q CB -0.017 28.723 28.738 0.004 0.000 0.900 360 Q HN 0.292 nan 8.270 nan 0.000 0.436 361 L N 0.336 121.588 121.223 0.049 0.000 2.046 361 L HA -0.213 4.127 4.340 0.000 0.000 0.208 361 L C 2.245 179.157 176.870 0.071 0.000 1.077 361 L CA 0.768 55.660 54.840 0.086 0.000 0.747 361 L CB -0.354 41.712 42.059 0.012 0.000 0.896 361 L HN 0.293 nan 8.230 nan 0.000 0.432 362 I N -0.589 119.979 120.570 -0.005 0.000 2.202 362 I HA -0.210 3.960 4.170 0.000 0.000 0.242 362 I C 2.737 178.901 176.117 0.079 0.000 1.091 362 I CA 1.373 62.692 61.300 0.030 0.000 1.368 362 I CB -0.972 37.009 38.000 -0.031 0.000 1.058 362 I HN 0.308 nan 8.210 nan 0.000 0.410 363 R N -0.086 120.403 120.500 -0.020 0.000 2.075 363 R HA -0.178 4.162 4.340 0.000 0.000 0.232 363 R C 2.275 178.542 176.300 -0.054 0.000 1.126 363 R CA 1.233 57.291 56.100 -0.071 0.000 0.963 363 R CB -0.608 29.581 30.300 -0.186 0.000 0.858 363 R HN 0.334 nan 8.270 nan 0.000 0.435 364 Y N -0.469 119.863 120.300 0.054 0.000 2.274 364 Y HA -0.238 4.312 4.550 0.000 0.000 0.290 364 Y C 2.202 178.139 175.900 0.061 0.000 1.145 364 Y CA 0.908 59.033 58.100 0.042 0.000 1.203 364 Y CB -0.793 37.684 38.460 0.027 0.000 0.984 364 Y HN 0.118 nan 8.280 nan 0.000 0.533 365 Y N -0.054 120.324 120.300 0.131 0.000 2.145 365 Y HA -0.221 4.329 4.550 0.000 0.000 0.286 365 Y C 2.339 178.291 175.900 0.087 0.000 1.145 365 Y CA 1.522 59.673 58.100 0.085 0.000 1.148 365 Y CB -0.702 37.768 38.460 0.017 0.000 0.981 365 Y HN -0.114 nan 8.280 nan 0.000 0.507 366 V N 0.710 120.578 119.914 -0.076 0.000 2.332 366 V HA -0.315 3.805 4.120 0.000 0.000 0.248 366 V C 2.059 178.073 176.094 -0.133 0.000 1.055 366 V CA 2.228 64.441 62.300 -0.146 0.000 1.038 366 V CB -0.729 31.096 31.823 0.004 0.000 0.651 366 V HN 0.389 nan 8.190 nan 0.000 0.450 367 D N -0.931 119.448 120.400 -0.034 0.000 2.149 367 D HA -0.205 4.435 4.640 0.000 0.000 0.198 367 D C 2.071 178.367 176.300 -0.007 0.000 0.990 367 D CA 1.769 55.771 54.000 0.003 0.000 0.839 367 D CB -0.336 40.512 40.800 0.080 0.000 0.948 367 D HN 0.624 nan 8.370 nan 0.000 0.460 368 H N 0.858 119.843 119.070 -0.141 0.000 2.353 368 H HA -0.053 4.504 4.556 0.000 0.000 0.300 368 H C 1.870 177.061 175.328 -0.228 0.000 1.090 368 H CA 1.559 57.506 56.048 -0.169 0.000 1.327 368 H CB 0.089 29.744 29.762 -0.179 0.000 1.383 368 H HN -0.038 nan 8.280 nan 0.000 0.508 369 Q N 0.270 119.797 119.800 -0.455 0.000 2.084 369 Q HA -0.092 4.248 4.340 0.000 0.000 0.202 369 Q C 2.724 178.572 176.000 -0.254 0.000 0.978 369 Q CA 1.207 56.752 55.803 -0.430 0.000 0.844 369 Q CB -0.394 28.098 28.738 -0.411 0.000 0.898 369 Q HN 0.515 nan 8.270 nan 0.000 0.426 370 L N 0.660 121.778 121.223 -0.176 0.000 2.141 370 L HA -0.192 4.148 4.340 0.000 0.000 0.209 370 L C 2.161 178.971 176.870 -0.101 0.000 1.094 370 L CA 1.200 55.974 54.840 -0.109 0.000 0.763 370 L CB -0.394 41.622 42.059 -0.072 0.000 0.908 370 L HN 0.169 nan 8.230 nan 0.000 0.437 371 D N -0.081 120.253 120.400 -0.110 0.000 2.097 371 D HA -0.154 4.486 4.640 0.000 0.000 0.195 371 D C 2.168 178.399 176.300 -0.115 0.000 0.989 371 D CA 1.075 55.027 54.000 -0.080 0.000 0.827 371 D CB 0.105 40.885 40.800 -0.034 0.000 0.966 371 D HN -0.008 nan 8.370 nan 0.000 0.456 372 V N 0.826 120.608 119.914 -0.220 0.000 2.332 372 V HA -0.230 3.890 4.120 0.000 0.000 0.248 372 V C 2.436 178.462 176.094 -0.114 0.000 1.055 372 V CA 1.093 63.271 62.300 -0.204 0.000 1.038 372 V CB -0.372 31.256 31.823 -0.326 0.000 0.651 372 V HN 0.322 nan 8.190 nan 0.000 0.450 373 I N -0.382 120.124 120.570 -0.106 0.000 2.252 373 I HA -0.135 4.035 4.170 0.000 0.000 0.245 373 I C 2.457 178.553 176.117 -0.035 0.000 1.102 373 I CA 1.357 62.621 61.300 -0.060 0.000 1.385 373 I CB -1.096 36.869 38.000 -0.057 0.000 1.064 373 I HN 0.158 nan 8.210 nan 0.000 0.414 374 V N 1.052 120.942 119.914 -0.039 0.000 2.343 374 V HA -0.246 3.874 4.120 0.000 0.000 0.247 374 V C 2.686 178.779 176.094 -0.001 0.000 1.051 374 V CA 1.636 63.924 62.300 -0.019 0.000 1.036 374 V CB -0.678 31.132 31.823 -0.022 0.000 0.654 374 V HN 0.364 nan 8.190 nan 0.000 0.451 375 R N -0.400 120.095 120.500 -0.007 0.000 2.081 375 R HA -0.142 4.198 4.340 0.000 0.000 0.235 375 R C 2.548 178.875 176.300 0.045 0.000 1.131 375 R CA 1.571 57.680 56.100 0.015 0.000 0.960 375 R CB -0.391 29.907 30.300 -0.002 0.000 0.856 375 R HN 0.413 nan 8.270 nan 0.000 0.436 376 R N 0.360 120.873 120.500 0.021 0.000 2.081 376 R HA -0.108 4.232 4.340 0.000 0.000 0.235 376 R C 1.732 178.098 176.300 0.110 0.000 1.131 376 R CA 1.943 58.076 56.100 0.055 0.000 0.960 376 R CB -0.190 30.121 30.300 0.018 0.000 0.856 376 R HN 0.138 nan 8.270 nan 0.000 0.436 377 T N -0.014 114.576 114.554 0.060 0.000 2.821 377 T HA -0.089 4.261 4.350 0.000 0.000 0.267 377 T C 1.683 176.415 174.700 0.054 0.000 1.046 377 T CA 1.790 63.920 62.100 0.049 0.000 1.139 377 T CB -0.259 68.620 68.868 0.019 0.000 0.871 377 T HN 0.373 nan 8.240 nan 0.000 0.454 378 T N 0.989 115.580 114.554 0.061 0.000 2.746 378 T HA -0.097 4.253 4.350 0.000 0.000 0.267 378 T C 1.610 176.355 174.700 0.076 0.000 1.039 378 T CA 1.186 63.317 62.100 0.053 0.000 1.142 378 T CB -0.484 68.413 68.868 0.048 0.000 0.866 378 T HN 0.496 nan 8.240 nan 0.000 0.444 379 Y N 2.116 122.412 120.300 -0.007 0.000 2.145 379 Y HA -0.137 4.413 4.550 0.000 0.000 0.286 379 Y C 2.507 178.406 175.900 -0.003 0.000 1.145 379 Y CA 1.348 59.445 58.100 -0.005 0.000 1.148 379 Y CB -0.174 38.285 38.460 -0.001 0.000 0.981 379 Y HN -0.007 nan 8.280 nan 0.000 0.507 380 R N -0.511 120.028 120.500 0.065 0.000 2.120 380 R HA -0.144 4.196 4.340 0.000 0.000 0.234 380 R C 2.124 178.369 176.300 -0.092 0.000 1.123 380 R CA 1.406 57.486 56.100 -0.034 0.000 0.975 380 R CB -0.542 29.798 30.300 0.067 0.000 0.866 380 R HN 0.375 nan 8.270 nan 0.000 0.446 381 L N 1.129 122.319 121.223 -0.054 0.000 2.072 381 L HA -0.110 4.230 4.340 0.000 0.000 0.205 381 L C 2.404 179.222 176.870 -0.087 0.000 1.079 381 L CA 1.652 56.460 54.840 -0.054 0.000 0.752 381 L CB -0.387 41.656 42.059 -0.027 0.000 0.906 381 L HN -0.004 nan 8.230 nan 0.000 0.436 382 R N -0.701 119.727 120.500 -0.119 0.000 2.075 382 R HA -0.139 4.201 4.340 0.000 0.000 0.232 382 R C 2.081 178.275 176.300 -0.176 0.000 1.126 382 R CA 1.146 57.167 56.100 -0.131 0.000 0.963 382 R CB -0.072 30.151 30.300 -0.128 0.000 0.858 382 R HN 0.186 nan 8.270 nan 0.000 0.435 383 K N 0.619 120.844 120.400 -0.293 0.000 2.057 383 K HA -0.062 4.258 4.320 0.000 0.000 0.207 383 K C 2.038 178.554 176.600 -0.140 0.000 1.049 383 K CA 1.465 57.590 56.287 -0.270 0.000 0.931 383 K CB -0.538 31.710 32.500 -0.419 0.000 0.714 383 K HN 0.308 nan 8.250 nan 0.000 0.440 384 A N 2.248 124.999 122.820 -0.114 0.000 1.902 384 A HA -0.191 4.129 4.320 0.000 0.000 0.217 384 A C 2.027 179.587 177.584 -0.040 0.000 1.181 384 A CA 1.633 53.634 52.037 -0.060 0.000 0.623 384 A CB -0.478 18.496 19.000 -0.044 0.000 0.818 384 A HN 0.284 nan 8.150 nan 0.000 0.443 385 N N -0.102 118.570 118.700 -0.047 0.000 2.149 385 N HA -0.154 4.586 4.740 0.000 0.000 0.188 385 N C 1.674 177.178 175.510 -0.010 0.000 1.019 385 N CA 1.589 54.622 53.050 -0.028 0.000 0.857 385 N CB -0.336 38.124 38.487 -0.045 0.000 0.997 385 N HN 0.675 nan 8.380 nan 0.000 0.426 386 E N 0.504 120.685 120.200 -0.033 0.000 2.077 386 E HA -0.148 4.202 4.350 0.000 0.000 0.193 386 E C 2.100 178.722 176.600 0.038 0.000 0.989 386 E CA 0.650 57.047 56.400 -0.004 0.000 0.800 386 E CB -0.023 29.653 29.700 -0.040 0.000 0.746 386 E HN 0.279 nan 8.360 nan 0.000 0.452 387 R N 0.766 121.268 120.500 0.004 0.000 2.081 387 R HA -0.118 4.222 4.340 0.000 0.000 0.235 387 R C 2.269 178.581 176.300 0.020 0.000 1.131 387 R CA 1.291 57.395 56.100 0.007 0.000 0.960 387 R CB -0.214 30.079 30.300 -0.011 0.000 0.856 387 R HN 0.134 nan 8.270 nan 0.000 0.436 388 A N 0.110 122.944 122.820 0.024 0.000 1.940 388 A HA -0.248 4.072 4.320 0.000 0.000 0.219 388 A C 1.960 179.578 177.584 0.056 0.000 1.176 388 A CA 1.931 53.985 52.037 0.029 0.000 0.631 388 A CB -0.877 18.139 19.000 0.027 0.000 0.814 388 A HN 0.631 nan 8.150 nan 0.000 0.446 389 H N -0.338 118.718 119.070 -0.023 0.000 2.353 389 H HA -0.068 4.488 4.556 0.000 0.000 0.300 389 H C 1.738 177.056 175.328 -0.017 0.000 1.090 389 H CA 1.836 57.872 56.048 -0.019 0.000 1.327 389 H CB -0.060 29.689 29.762 -0.021 0.000 1.383 389 H HN 0.331 nan 8.280 nan 0.000 0.508 390 I N 0.287 120.853 120.570 -0.008 0.000 2.252 390 I HA -0.215 3.955 4.170 0.000 0.000 0.245 390 I C 2.439 178.511 176.117 -0.076 0.000 1.102 390 I CA 0.976 62.236 61.300 -0.067 0.000 1.385 390 I CB -1.147 36.847 38.000 -0.010 0.000 1.064 390 I HN 0.346 nan 8.210 nan 0.000 0.414 391 L N 0.016 121.214 121.223 -0.043 0.000 2.083 391 L HA -0.188 4.152 4.340 0.000 0.000 0.209 391 L C 2.743 179.581 176.870 -0.053 0.000 1.083 391 L CA 1.185 56.003 54.840 -0.038 0.000 0.752 391 L CB -0.525 41.523 42.059 -0.019 0.000 0.899 391 L HN 0.189 nan 8.230 nan 0.000 0.433 392 R N -0.219 120.240 120.500 -0.070 0.000 2.096 392 R HA -0.113 4.227 4.340 0.000 0.000 0.235 392 R C 2.366 178.607 176.300 -0.098 0.000 1.127 392 R CA 1.227 57.282 56.100 -0.075 0.000 0.968 392 R CB -0.657 29.601 30.300 -0.071 0.000 0.861 392 R HN 0.433 nan 8.270 nan 0.000 0.440 393 G N 1.019 109.732 108.800 -0.146 0.000 2.402 393 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 393 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 393 G C 1.436 176.290 174.900 -0.077 0.000 1.162 393 G CA 0.295 45.318 45.100 -0.129 0.000 0.777 393 G HN 0.112 nan 8.290 nan 0.000 0.539 394 L N 0.329 121.513 121.223 -0.066 0.000 2.093 394 L HA -0.059 4.281 4.340 0.000 0.000 0.208 394 L C 2.937 179.786 176.870 -0.035 0.000 1.085 394 L CA 0.378 55.193 54.840 -0.043 0.000 0.755 394 L CB -0.473 41.565 42.059 -0.034 0.000 0.904 394 L HN 0.079 nan 8.230 nan 0.000 0.435 395 V N -0.038 119.854 119.914 -0.037 0.000 2.427 395 V HA -0.255 3.865 4.120 0.000 0.000 0.248 395 V C 2.484 178.561 176.094 -0.027 0.000 1.051 395 V CA 1.589 63.873 62.300 -0.028 0.000 1.048 395 V CB -0.501 31.307 31.823 -0.025 0.000 0.666 395 V HN 0.415 nan 8.190 nan 0.000 0.456 396 K N 0.370 120.749 120.400 -0.034 0.000 2.063 396 K HA -0.173 4.147 4.320 0.000 0.000 0.208 396 K C 2.316 178.901 176.600 -0.026 0.000 1.048 396 K CA 1.588 57.857 56.287 -0.030 0.000 0.928 396 K CB -0.428 32.049 32.500 -0.038 0.000 0.713 396 K HN 0.481 nan 8.250 nan 0.000 0.442 397 A N 1.447 124.250 122.820 -0.028 0.000 1.902 397 A HA -0.119 4.201 4.320 0.000 0.000 0.217 397 A C 2.130 179.703 177.584 -0.018 0.000 1.181 397 A CA 1.192 53.215 52.037 -0.023 0.000 0.623 397 A CB -0.596 18.389 19.000 -0.024 0.000 0.818 397 A HN 0.157 nan 8.150 nan 0.000 0.443 398 L N -0.516 120.696 121.223 -0.018 0.000 2.083 398 L HA -0.180 4.160 4.340 0.000 0.000 0.209 398 L C 1.882 178.744 176.870 -0.013 0.000 1.083 398 L CA 1.306 56.138 54.840 -0.014 0.000 0.752 398 L CB -0.627 41.424 42.059 -0.014 0.000 0.899 398 L HN 0.286 nan 8.230 nan 0.000 0.433 399 D N 0.336 120.728 120.400 -0.014 0.000 2.219 399 D HA -0.081 4.559 4.640 0.000 0.000 0.205 399 D C 1.410 177.703 176.300 -0.011 0.000 0.970 399 D CA 1.291 55.283 54.000 -0.012 0.000 0.851 399 D CB 0.143 40.935 40.800 -0.013 0.000 0.943 399 D HN 0.291 nan 8.370 nan 0.000 0.488 400 A N 0.078 122.891 122.820 -0.012 0.000 2.793 400 A HA 0.226 4.546 4.320 0.000 0.000 0.301 400 A C 1.338 178.916 177.584 -0.010 0.000 1.172 400 A CA -0.353 51.678 52.037 -0.011 0.000 0.973 400 A CB -0.106 18.887 19.000 -0.011 0.000 1.164 400 A HN 0.069 nan 8.150 nan 0.000 0.542 401 L N -0.238 120.979 121.223 -0.010 0.000 2.056 401 L HA -0.093 4.247 4.340 0.000 0.000 0.207 401 L C 1.641 178.506 176.870 -0.008 0.000 1.078 401 L CA 2.224 57.059 54.840 -0.009 0.000 0.749 401 L CB -0.346 41.708 42.059 -0.009 0.000 0.901 401 L HN 0.463 nan 8.230 nan 0.000 0.433 402 D N -0.342 120.054 120.400 -0.007 0.000 2.104 402 D HA -0.218 4.422 4.640 0.000 0.000 0.194 402 D C 2.016 178.312 176.300 -0.006 0.000 0.994 402 D CA 1.520 55.516 54.000 -0.006 0.000 0.830 402 D CB 0.034 40.831 40.800 -0.005 0.000 0.959 402 D HN 0.406 nan 8.370 nan 0.000 0.452 403 E N 0.254 120.450 120.200 -0.007 0.000 2.072 403 E HA -0.086 4.264 4.350 0.000 0.000 0.191 403 E C 2.350 178.945 176.600 -0.007 0.000 0.985 403 E CA 0.215 56.611 56.400 -0.007 0.000 0.801 403 E CB -0.227 29.469 29.700 -0.007 0.000 0.750 403 E HN 0.065 nan 8.360 nan 0.000 0.452 404 V N 0.897 120.806 119.914 -0.008 0.000 2.295 404 V HA -0.255 3.865 4.120 0.000 0.000 0.246 404 V C 2.156 178.245 176.094 -0.008 0.000 1.049 404 V CA 1.645 63.940 62.300 -0.009 0.000 1.024 404 V CB -0.407 31.409 31.823 -0.011 0.000 0.648 404 V HN 0.274 nan 8.190 nan 0.000 0.447 405 I N 0.259 120.825 120.570 -0.007 0.000 2.252 405 I HA -0.205 3.965 4.170 0.000 0.000 0.245 405 I C 2.681 178.795 176.117 -0.005 0.000 1.102 405 I CA 1.389 62.685 61.300 -0.006 0.000 1.385 405 I CB -0.628 37.369 38.000 -0.006 0.000 1.064 405 I HN 0.294 nan 8.210 nan 0.000 0.414 406 A N 0.903 123.720 122.820 -0.005 0.000 1.908 406 A HA -0.227 4.093 4.320 0.000 0.000 0.218 406 A C 2.370 179.951 177.584 -0.004 0.000 1.181 406 A CA 1.589 53.623 52.037 -0.004 0.000 0.627 406 A CB -0.841 18.157 19.000 -0.004 0.000 0.818 406 A HN 0.475 nan 8.150 nan 0.000 0.445 407 L N -0.586 120.634 121.223 -0.005 0.000 2.056 407 L HA -0.109 4.231 4.340 0.000 0.000 0.207 407 L C 2.326 179.193 176.870 -0.005 0.000 1.078 407 L CA 1.494 56.331 54.840 -0.005 0.000 0.749 407 L CB -0.225 41.831 42.059 -0.006 0.000 0.901 407 L HN 0.428 nan 8.230 nan 0.000 0.433 408 I N -0.388 120.179 120.570 -0.005 0.000 2.179 408 I HA -0.286 3.884 4.170 0.000 0.000 0.242 408 I C 2.634 178.749 176.117 -0.004 0.000 1.088 408 I CA 1.281 62.578 61.300 -0.005 0.000 1.357 408 I CB -0.304 37.693 38.000 -0.005 0.000 1.051 408 I HN 0.206 nan 8.210 nan 0.000 0.409 409 R N 0.620 121.118 120.500 -0.004 0.000 2.152 409 R HA -0.067 4.273 4.340 0.000 0.000 0.232 409 R C 2.151 178.449 176.300 -0.003 0.000 1.117 409 R CA 1.275 57.373 56.100 -0.003 0.000 0.981 409 R CB -0.278 30.020 30.300 -0.003 0.000 0.870 409 R HN 0.355 nan 8.270 nan 0.000 0.451 410 A N 0.282 123.100 122.820 -0.003 0.000 2.218 410 A HA 0.112 4.432 4.320 0.000 0.000 0.209 410 A C 0.532 178.114 177.584 -0.002 0.000 1.168 410 A CA 0.043 52.079 52.037 -0.003 0.000 0.804 410 A CB 0.342 19.340 19.000 -0.003 0.000 0.834 410 A HN 0.063 nan 8.150 nan 0.000 0.482 411 S N 0.240 115.938 115.700 -0.003 0.000 2.523 411 S HA 0.138 4.608 4.470 0.000 0.000 0.275 411 S C 0.989 175.588 174.600 -0.002 0.000 1.281 411 S CA -0.309 57.890 58.200 -0.002 0.000 1.050 411 S CB 1.479 64.678 63.200 -0.003 0.000 0.937 411 S HN 0.585 nan 8.310 nan 0.000 0.492 412 E N 1.932 122.131 120.200 -0.002 0.000 2.106 412 E HA -0.108 4.242 4.350 0.000 0.000 0.192 412 E C 0.793 177.392 176.600 -0.001 0.000 0.984 412 E CA 1.106 57.505 56.400 -0.002 0.000 0.806 412 E CB 0.235 29.934 29.700 -0.001 0.000 0.750 412 E HN 0.777 nan 8.360 nan 0.000 0.458 413 T N -4.062 110.491 114.554 -0.002 0.000 2.864 413 T HA 0.291 4.641 4.350 0.000 0.000 0.289 413 T C 1.023 175.722 174.700 -0.002 0.000 1.082 413 T CA -0.521 61.578 62.100 -0.001 0.000 1.009 413 T CB 1.502 70.369 68.868 -0.001 0.000 1.234 413 T HN -0.174 nan 8.240 nan 0.000 0.526 414 V N 1.065 120.978 119.914 -0.002 0.000 2.427 414 V HA -0.086 4.034 4.120 0.000 0.000 0.248 414 V C 2.325 178.418 176.094 -0.002 0.000 1.051 414 V CA 1.958 64.257 62.300 -0.002 0.000 1.048 414 V CB -0.800 31.022 31.823 -0.002 0.000 0.666 414 V HN 0.860 nan 8.190 nan 0.000 0.456 415 D N 0.164 120.564 120.400 -0.001 0.000 2.144 415 D HA -0.127 4.513 4.640 0.000 0.000 0.199 415 D C 2.036 178.336 176.300 -0.001 0.000 0.984 415 D CA 1.377 55.377 54.000 -0.001 0.000 0.834 415 D CB -0.119 40.681 40.800 -0.000 0.000 0.955 415 D HN 0.405 nan 8.370 nan 0.000 0.465 416 I N 0.913 121.482 120.570 -0.001 0.000 2.353 416 I HA -0.173 3.997 4.170 0.000 0.000 0.248 416 I C 2.443 178.558 176.117 -0.002 0.000 1.119 416 I CA 0.670 61.969 61.300 -0.002 0.000 1.417 416 I CB -0.098 37.901 38.000 -0.002 0.000 1.078 416 I HN -0.091 nan 8.210 nan 0.000 0.421 417 A N 0.842 123.660 122.820 -0.003 0.000 1.902 417 A HA -0.247 4.073 4.320 0.000 0.000 0.217 417 A C 2.413 179.995 177.584 -0.004 0.000 1.181 417 A CA 1.747 53.781 52.037 -0.004 0.000 0.623 417 A CB -0.613 18.385 19.000 -0.004 0.000 0.818 417 A HN 0.339 nan 8.150 nan 0.000 0.443 418 R N -0.387 120.111 120.500 -0.003 0.000 2.081 418 R HA -0.094 4.246 4.340 0.000 0.000 0.235 418 R C 2.271 178.569 176.300 -0.003 0.000 1.131 418 R CA 1.494 57.592 56.100 -0.003 0.000 0.960 418 R CB -0.410 29.889 30.300 -0.002 0.000 0.856 418 R HN 0.430 nan 8.270 nan 0.000 0.436 419 A N 0.065 122.884 122.820 -0.002 0.000 1.902 419 A HA -0.053 4.267 4.320 0.000 0.000 0.217 419 A C 2.335 179.917 177.584 -0.003 0.000 1.181 419 A CA 1.628 53.664 52.037 -0.001 0.000 0.623 419 A CB -1.157 17.842 19.000 -0.001 0.000 0.818 419 A HN 0.583 nan 8.150 nan 0.000 0.443 420 G N -0.325 108.473 108.800 -0.003 0.000 2.408 420 G HA2 -0.114 3.846 3.960 0.000 0.000 0.217 420 G HA3 -0.114 3.846 3.960 0.000 0.000 0.217 420 G C 1.534 176.431 174.900 -0.006 0.000 1.150 420 G CA 0.974 46.072 45.100 -0.004 0.000 0.776 420 G HN 0.432 nan 8.290 nan 0.000 0.542 421 L N -0.025 121.194 121.223 -0.007 0.000 2.093 421 L HA 0.054 4.394 4.340 0.000 0.000 0.208 421 L C 2.798 179.662 176.870 -0.011 0.000 1.085 421 L CA 0.470 55.304 54.840 -0.010 0.000 0.755 421 L CB -0.294 41.758 42.059 -0.012 0.000 0.904 421 L HN 0.179 nan 8.230 nan 0.000 0.435 422 I N -0.138 120.428 120.570 -0.008 0.000 2.163 422 I HA -0.326 3.844 4.170 0.000 0.000 0.243 422 I C 2.664 178.778 176.117 -0.005 0.000 1.085 422 I CA 1.562 62.859 61.300 -0.006 0.000 1.347 422 I CB -0.230 37.769 38.000 -0.001 0.000 1.044 422 I HN 0.344 nan 8.210 nan 0.000 0.408 423 E N 0.923 121.121 120.200 -0.004 0.000 2.047 423 E HA -0.268 4.082 4.350 0.000 0.000 0.191 423 E C 2.243 178.840 176.600 -0.005 0.000 0.987 423 E CA 1.193 57.591 56.400 -0.004 0.000 0.799 423 E CB -0.018 29.680 29.700 -0.003 0.000 0.752 423 E HN 0.301 nan 8.360 nan 0.000 0.449 424 L N 0.602 121.821 121.223 -0.007 0.000 2.017 424 L HA -0.126 4.214 4.340 0.000 0.000 0.208 424 L C 1.949 178.813 176.870 -0.010 0.000 1.073 424 L CA 1.717 56.553 54.840 -0.008 0.000 0.745 424 L CB -0.127 41.927 42.059 -0.009 0.000 0.894 424 L HN 0.212 nan 8.230 nan 0.000 0.432 425 L N -1.222 119.994 121.223 -0.012 0.000 2.640 425 L HA 0.167 4.507 4.340 0.000 0.000 0.230 425 L C 0.181 177.041 176.870 -0.016 0.000 1.123 425 L CA 0.147 54.977 54.840 -0.017 0.000 0.900 425 L CB -0.136 41.909 42.059 -0.023 0.000 1.146 425 L HN 0.243 nan 8.230 nan 0.000 0.484 426 D N 2.041 122.434 120.400 -0.011 0.000 2.737 426 D HA -0.193 4.447 4.640 0.000 0.000 0.238 426 D C -0.274 176.020 176.300 -0.010 0.000 1.157 426 D CA 0.685 54.681 54.000 -0.007 0.000 0.694 426 D CB -0.761 40.036 40.800 -0.004 0.000 1.021 426 D HN 0.492 nan 8.370 nan 0.000 0.420 427 I N -2.687 117.875 120.570 -0.013 0.000 3.264 427 I HA 0.760 4.930 4.170 0.000 0.000 0.309 427 I C 0.271 176.390 176.117 0.003 0.000 1.099 427 I CA -1.059 60.228 61.300 -0.021 0.000 0.989 427 I CB 1.696 39.665 38.000 -0.051 0.000 1.250 427 I HN -0.067 nan 8.210 nan 0.000 0.478 428 D N 0.200 120.610 120.400 0.017 0.000 2.549 428 D HA 0.203 4.843 4.640 0.000 0.000 0.270 428 D C 0.618 176.937 176.300 0.031 0.000 1.181 428 D CA -0.405 53.623 54.000 0.046 0.000 1.070 428 D CB 0.937 41.801 40.800 0.106 0.000 1.154 428 D HN 0.748 nan 8.370 nan 0.000 0.602 429 E N -0.404 119.817 120.200 0.035 0.000 2.077 429 E HA -0.154 4.196 4.350 0.000 0.000 0.193 429 E C 1.808 178.423 176.600 0.024 0.000 0.989 429 E CA 1.141 57.555 56.400 0.023 0.000 0.800 429 E CB -0.311 29.402 29.700 0.021 0.000 0.746 429 E HN 0.585 nan 8.360 nan 0.000 0.452 430 I N -0.115 120.484 120.570 0.047 0.000 2.353 430 I HA -0.261 3.909 4.170 0.000 0.000 0.248 430 I C 2.042 178.172 176.117 0.022 0.000 1.119 430 I CA 1.070 62.399 61.300 0.048 0.000 1.417 430 I CB -0.013 38.039 38.000 0.086 0.000 1.078 430 I HN 0.216 nan 8.210 nan 0.000 0.421 431 Q N 0.505 120.301 119.800 -0.006 0.000 2.046 431 Q HA -0.160 4.180 4.340 0.000 0.000 0.200 431 Q C 2.377 178.349 176.000 -0.047 0.000 0.975 431 Q CA 1.684 57.440 55.803 -0.078 0.000 0.836 431 Q CB -0.293 28.343 28.738 -0.170 0.000 0.896 431 Q HN 0.645 nan 8.270 nan 0.000 0.428 432 A N 0.818 123.621 122.820 -0.028 0.000 1.902 432 A HA -0.281 4.039 4.320 0.000 0.000 0.217 432 A C 2.051 179.627 177.584 -0.013 0.000 1.181 432 A CA 1.770 53.796 52.037 -0.019 0.000 0.623 432 A CB -0.549 18.445 19.000 -0.011 0.000 0.818 432 A HN 0.256 nan 8.150 nan 0.000 0.443 433 Q N -0.194 119.602 119.800 -0.007 0.000 2.124 433 Q HA -0.017 4.323 4.340 0.000 0.000 0.202 433 Q C 2.010 178.006 176.000 -0.007 0.000 0.977 433 Q CA 2.010 57.811 55.803 -0.004 0.000 0.850 433 Q CB -0.602 28.138 28.738 0.003 0.000 0.901 433 Q HN 0.570 nan 8.270 nan 0.000 0.429 434 A N -0.094 122.719 122.820 -0.011 0.000 1.969 434 A HA -0.107 4.213 4.320 0.000 0.000 0.218 434 A C 2.077 179.651 177.584 -0.017 0.000 1.169 434 A CA 1.277 53.306 52.037 -0.013 0.000 0.635 434 A CB -0.623 18.366 19.000 -0.019 0.000 0.810 434 A HN 0.465 nan 8.150 nan 0.000 0.445 435 I N -0.415 120.142 120.570 -0.021 0.000 2.179 435 I HA -0.252 3.918 4.170 0.000 0.000 0.242 435 I C 2.278 178.387 176.117 -0.013 0.000 1.088 435 I CA 1.136 62.424 61.300 -0.019 0.000 1.357 435 I CB -0.332 37.655 38.000 -0.023 0.000 1.051 435 I HN 0.272 nan 8.210 nan 0.000 0.409 436 L N 0.256 121.472 121.223 -0.011 0.000 2.191 436 L HA -0.220 4.121 4.340 0.000 0.000 0.212 436 L C 1.528 178.395 176.870 -0.006 0.000 1.103 436 L CA 1.072 55.907 54.840 -0.008 0.000 0.769 436 L CB -0.523 41.532 42.059 -0.006 0.000 0.908 436 L HN 0.267 nan 8.230 nan 0.000 0.438 437 D N -0.845 119.551 120.400 -0.006 0.000 2.340 437 D HA 0.053 4.693 4.640 0.000 0.000 0.220 437 D C 0.961 177.258 176.300 -0.005 0.000 1.039 437 D CA 0.329 54.327 54.000 -0.005 0.000 0.866 437 D CB 0.153 40.951 40.800 -0.003 0.000 0.913 437 D HN 0.213 nan 8.370 nan 0.000 0.523 438 M N 1.114 120.709 119.600 -0.007 0.000 2.239 438 M HA 0.010 4.490 4.480 0.000 0.000 0.348 438 M C 0.377 176.674 176.300 -0.005 0.000 1.239 438 M CA 0.420 55.716 55.300 -0.007 0.000 1.114 438 M CB 0.686 33.281 32.600 -0.009 0.000 1.641 438 M HN -0.163 nan 8.290 nan 0.000 0.453 439 Q N 2.420 122.217 119.800 -0.004 0.000 2.306 439 Q HA 0.208 4.548 4.340 0.000 0.000 0.241 439 Q C 0.948 176.945 176.000 -0.004 0.000 0.948 439 Q CA -0.412 55.389 55.803 -0.003 0.000 0.886 439 Q CB 1.311 30.047 28.738 -0.002 0.000 1.227 439 Q HN 0.752 nan 8.270 nan 0.000 0.457 440 L N 1.470 122.691 121.223 -0.003 0.000 2.127 440 L HA -0.248 4.093 4.340 0.000 0.000 0.211 440 L C 2.459 179.327 176.870 -0.003 0.000 1.089 440 L CA 1.462 56.300 54.840 -0.003 0.000 0.757 440 L CB -0.535 41.523 42.059 -0.003 0.000 0.899 440 L HN 0.686 nan 8.230 nan 0.000 0.434 441 R N 0.046 120.544 120.500 -0.002 0.000 2.159 441 R HA -0.155 4.185 4.340 0.000 0.000 0.237 441 R C 1.790 178.088 176.300 -0.003 0.000 1.131 441 R CA 0.929 57.028 56.100 -0.002 0.000 0.982 441 R CB -0.517 29.782 30.300 -0.001 0.000 0.868 441 R HN 0.258 nan 8.270 nan 0.000 0.453 442 R N 1.011 121.508 120.500 -0.003 0.000 2.339 442 R HA 0.088 4.428 4.340 0.000 0.000 0.199 442 R C 1.538 177.835 176.300 -0.005 0.000 1.018 442 R CA 0.539 56.636 56.100 -0.004 0.000 1.036 442 R CB -0.125 30.172 30.300 -0.006 0.000 0.899 442 R HN 0.402 nan 8.270 nan 0.000 0.473 443 L N 0.134 121.354 121.223 -0.005 0.000 2.607 443 L HA 0.256 4.596 4.340 0.000 0.000 0.228 443 L C 0.954 177.821 176.870 -0.004 0.000 1.123 443 L CA -0.320 54.517 54.840 -0.005 0.000 0.890 443 L CB -0.057 41.999 42.059 -0.005 0.000 1.103 443 L HN -0.056 nan 8.230 nan 0.000 0.468 444 A N 0.295 123.113 122.820 -0.003 0.000 2.466 444 A HA 0.408 4.728 4.320 0.000 0.000 0.238 444 A C 1.558 179.140 177.584 -0.003 0.000 1.074 444 A CA 0.615 52.650 52.037 -0.003 0.000 0.774 444 A CB 0.541 19.539 19.000 -0.002 0.000 1.015 444 A HN 0.297 nan 8.150 nan 0.000 0.498 445 A N 1.145 123.963 122.820 -0.003 0.000 1.892 445 A HA -0.132 4.188 4.320 0.000 0.000 0.218 445 A C 1.965 179.547 177.584 -0.003 0.000 1.188 445 A CA 2.000 54.035 52.037 -0.003 0.000 0.631 445 A CB -0.709 18.289 19.000 -0.003 0.000 0.822 445 A HN 1.288 nan 8.150 nan 0.000 0.447 446 L N -0.377 120.845 121.223 -0.002 0.000 2.131 446 L HA -0.113 4.227 4.340 0.000 0.000 0.210 446 L C 2.073 178.942 176.870 -0.003 0.000 1.092 446 L CA 1.997 56.836 54.840 -0.002 0.000 0.759 446 L CB -0.422 41.636 42.059 -0.001 0.000 0.903 446 L HN 0.363 nan 8.230 nan 0.000 0.435 447 E N -0.303 119.896 120.200 -0.003 0.000 2.158 447 E HA -0.123 4.227 4.350 0.000 0.000 0.191 447 E C 2.275 178.872 176.600 -0.005 0.000 0.982 447 E CA 0.667 57.065 56.400 -0.003 0.000 0.823 447 E CB -0.161 29.537 29.700 -0.003 0.000 0.766 447 E HN 0.569 nan 8.360 nan 0.000 0.468 448 R N 0.627 121.123 120.500 -0.005 0.000 2.081 448 R HA -0.141 4.200 4.340 0.000 0.000 0.235 448 R C 2.365 178.661 176.300 -0.007 0.000 1.131 448 R CA 1.342 57.438 56.100 -0.007 0.000 0.960 448 R CB -0.193 30.103 30.300 -0.007 0.000 0.856 448 R HN 0.052 nan 8.270 nan 0.000 0.436 449 Q N 1.030 120.827 119.800 -0.005 0.000 2.172 449 Q HA -0.079 4.261 4.340 0.000 0.000 0.200 449 Q C 1.980 177.977 176.000 -0.005 0.000 0.964 449 Q CA 1.339 57.139 55.803 -0.005 0.000 0.855 449 Q CB -0.073 28.662 28.738 -0.004 0.000 0.918 449 Q HN 0.134 nan 8.270 nan 0.000 0.444 450 R N -0.254 120.244 120.500 -0.004 0.000 2.091 450 R HA -0.137 4.203 4.340 0.000 0.000 0.238 450 R C 2.077 178.374 176.300 -0.005 0.000 1.136 450 R CA 1.674 57.772 56.100 -0.004 0.000 0.959 450 R CB -0.373 29.925 30.300 -0.003 0.000 0.856 450 R HN 0.383 nan 8.270 nan 0.000 0.437 451 I N 0.524 121.090 120.570 -0.007 0.000 2.163 451 I HA -0.334 3.836 4.170 0.000 0.000 0.243 451 I C 2.245 178.356 176.117 -0.010 0.000 1.085 451 I CA 1.478 62.773 61.300 -0.009 0.000 1.347 451 I CB -0.212 37.782 38.000 -0.011 0.000 1.044 451 I HN 0.224 nan 8.210 nan 0.000 0.408 452 I N 0.420 120.984 120.570 -0.009 0.000 2.226 452 I HA -0.301 3.869 4.170 0.000 0.000 0.245 452 I C 2.051 178.164 176.117 -0.007 0.000 1.100 452 I CA 1.349 62.643 61.300 -0.009 0.000 1.374 452 I CB -0.520 37.475 38.000 -0.009 0.000 1.057 452 I HN 0.217 nan 8.210 nan 0.000 0.413 453 D N 0.883 121.280 120.400 -0.006 0.000 2.123 453 D HA -0.185 4.455 4.640 0.000 0.000 0.196 453 D C 1.793 178.090 176.300 -0.004 0.000 0.992 453 D CA 1.283 55.281 54.000 -0.004 0.000 0.833 453 D CB -0.393 40.405 40.800 -0.003 0.000 0.954 453 D HN 0.270 nan 8.370 nan 0.000 0.455 454 D N -0.141 120.257 120.400 -0.005 0.000 2.178 454 D HA -0.110 4.530 4.640 0.000 0.000 0.201 454 D C 2.064 178.361 176.300 -0.005 0.000 0.980 454 D CA 0.200 54.198 54.000 -0.004 0.000 0.842 454 D CB -0.227 40.571 40.800 -0.004 0.000 0.948 454 D HN 0.125 nan 8.370 nan 0.000 0.472 455 L N 0.910 122.129 121.223 -0.006 0.000 2.017 455 L HA -0.064 4.276 4.340 0.000 0.000 0.208 455 L C 2.081 178.948 176.870 -0.005 0.000 1.073 455 L CA 1.805 56.641 54.840 -0.006 0.000 0.745 455 L CB -0.946 41.107 42.059 -0.009 0.000 0.894 455 L HN -0.020 nan 8.230 nan 0.000 0.432 456 A N -0.601 122.216 122.820 -0.005 0.000 1.902 456 A HA -0.239 4.081 4.320 0.000 0.000 0.217 456 A C 2.333 179.915 177.584 -0.003 0.000 1.181 456 A CA 2.014 54.049 52.037 -0.004 0.000 0.623 456 A CB -0.515 18.483 19.000 -0.004 0.000 0.818 456 A HN 0.520 nan 8.150 nan 0.000 0.443 457 K N -1.036 119.362 120.400 -0.003 0.000 2.026 457 K HA -0.095 4.225 4.320 0.000 0.000 0.208 457 K C 1.806 178.405 176.600 -0.002 0.000 1.048 457 K CA 1.447 57.733 56.287 -0.002 0.000 0.929 457 K CB -0.324 32.175 32.500 -0.001 0.000 0.713 457 K HN 0.435 nan 8.250 nan 0.000 0.439 458 I N 2.049 122.618 120.570 -0.003 0.000 2.493 458 I HA -0.197 3.973 4.170 0.000 0.000 0.254 458 I C 1.671 177.785 176.117 -0.004 0.000 1.160 458 I CA 1.510 62.808 61.300 -0.004 0.000 1.445 458 I CB -0.021 37.976 38.000 -0.005 0.000 1.086 458 I HN 0.147 nan 8.210 nan 0.000 0.433 459 E N 0.215 120.413 120.200 -0.003 0.000 2.150 459 E HA -0.167 4.183 4.350 0.000 0.000 0.193 459 E C 2.235 178.832 176.600 -0.004 0.000 0.985 459 E CA 1.048 57.446 56.400 -0.003 0.000 0.814 459 E CB -0.240 29.459 29.700 -0.002 0.000 0.752 459 E HN 0.606 nan 8.360 nan 0.000 0.466 460 A N 1.331 124.148 122.820 -0.004 0.000 1.929 460 A HA -0.207 4.114 4.320 0.000 0.000 0.216 460 A C 2.030 179.612 177.584 -0.004 0.000 1.176 460 A CA 1.276 53.310 52.037 -0.004 0.000 0.628 460 A CB -0.307 18.691 19.000 -0.003 0.000 0.816 460 A HN 0.212 nan 8.150 nan 0.000 0.444 461 E N -0.104 120.093 120.200 -0.004 0.000 2.110 461 E HA -0.158 4.192 4.350 0.000 0.000 0.193 461 E C 1.835 178.431 176.600 -0.006 0.000 0.988 461 E CA 1.118 57.516 56.400 -0.004 0.000 0.804 461 E CB -0.199 29.499 29.700 -0.003 0.000 0.745 461 E HN 0.664 nan 8.360 nan 0.000 0.458 462 I N 0.935 121.500 120.570 -0.008 0.000 2.226 462 I HA -0.277 3.893 4.170 0.000 0.000 0.245 462 I C 2.578 178.689 176.117 -0.010 0.000 1.100 462 I CA 1.064 62.358 61.300 -0.011 0.000 1.374 462 I CB -0.322 37.672 38.000 -0.011 0.000 1.057 462 I HN 0.181 nan 8.210 nan 0.000 0.413 463 A N 0.332 123.147 122.820 -0.008 0.000 1.902 463 A HA -0.314 4.006 4.320 0.000 0.000 0.217 463 A C 1.999 179.578 177.584 -0.009 0.000 1.181 463 A CA 2.396 54.428 52.037 -0.008 0.000 0.623 463 A CB -0.755 18.240 19.000 -0.007 0.000 0.818 463 A HN 0.459 nan 8.150 nan 0.000 0.443 464 D N -0.256 120.140 120.400 -0.007 0.000 2.117 464 D HA -0.111 4.529 4.640 0.000 0.000 0.197 464 D C 1.831 178.127 176.300 -0.007 0.000 0.987 464 D CA 1.274 55.270 54.000 -0.007 0.000 0.829 464 D CB -0.213 40.584 40.800 -0.005 0.000 0.961 464 D HN 0.423 nan 8.370 nan 0.000 0.460 465 L N 0.161 121.380 121.223 -0.006 0.000 2.046 465 L HA -0.101 4.239 4.340 0.000 0.000 0.208 465 L C 2.464 179.329 176.870 -0.008 0.000 1.077 465 L CA 1.144 55.982 54.840 -0.005 0.000 0.747 465 L CB -0.454 41.603 42.059 -0.004 0.000 0.896 465 L HN 0.095 nan 8.230 nan 0.000 0.432 466 E N 0.000 120.194 120.200 -0.010 0.000 2.085 466 E HA -0.285 4.065 4.350 0.000 0.000 0.194 466 E C 1.706 178.298 176.600 -0.013 0.000 0.994 466 E CA 1.638 58.031 56.400 -0.012 0.000 0.801 466 E CB -0.090 29.603 29.700 -0.012 0.000 0.743 466 E HN 0.452 nan 8.360 nan 0.000 0.453 467 D N 0.403 120.795 120.400 -0.013 0.000 2.117 467 D HA -0.125 4.515 4.640 0.000 0.000 0.198 467 D C 1.817 178.106 176.300 -0.018 0.000 0.982 467 D CA 0.892 54.883 54.000 -0.016 0.000 0.828 467 D CB 0.034 40.825 40.800 -0.015 0.000 0.967 467 D HN 0.089 nan 8.370 nan 0.000 0.464 468 I N 0.060 120.620 120.570 -0.016 0.000 2.179 468 I HA -0.239 3.931 4.170 0.000 0.000 0.242 468 I C 2.253 178.357 176.117 -0.021 0.000 1.088 468 I CA 0.725 62.013 61.300 -0.019 0.000 1.357 468 I CB -0.230 37.762 38.000 -0.013 0.000 1.051 468 I HN 0.131 nan 8.210 nan 0.000 0.409 469 L N 0.504 121.717 121.223 -0.016 0.000 2.131 469 L HA -0.175 4.165 4.340 0.000 0.000 0.210 469 L C 2.609 179.467 176.870 -0.021 0.000 1.092 469 L CA 1.144 55.974 54.840 -0.017 0.000 0.759 469 L CB -0.636 41.416 42.059 -0.012 0.000 0.903 469 L HN 0.247 nan 8.230 nan 0.000 0.435 470 A N -0.591 122.217 122.820 -0.021 0.000 2.169 470 A HA -0.007 4.313 4.320 0.000 0.000 0.212 470 A C 0.905 178.471 177.584 -0.030 0.000 1.153 470 A CA 0.593 52.616 52.037 -0.023 0.000 0.756 470 A CB -0.041 18.947 19.000 -0.020 0.000 0.813 470 A HN 0.242 nan 8.150 nan 0.000 0.471 471 K N -0.169 120.209 120.400 -0.035 0.000 2.579 471 K HA 0.290 4.610 4.320 0.000 0.000 0.225 471 K C -2.457 174.107 176.600 -0.060 0.000 0.992 471 K CA -1.836 54.423 56.287 -0.046 0.000 1.018 471 K CB 1.835 34.310 32.500 -0.042 0.000 1.249 471 K HN -0.075 nan 8.250 nan 0.000 0.489 472 P HA -0.223 nan 4.420 nan 0.000 0.217 472 P C 0.469 177.698 177.300 -0.120 0.000 1.151 472 P CA 1.364 64.405 63.100 -0.098 0.000 0.849 472 P CB 0.339 31.965 31.700 -0.123 0.000 0.787 473 E N -1.112 119.013 120.200 -0.125 0.000 2.274 473 E HA -0.089 4.261 4.350 0.000 0.000 0.194 473 E C 2.185 178.735 176.600 -0.083 0.000 0.996 473 E CA 0.338 56.663 56.400 -0.125 0.000 0.840 473 E CB -0.216 29.412 29.700 -0.121 0.000 0.772 473 E HN 0.226 nan 8.360 nan 0.000 0.491 474 R N 0.856 121.316 120.500 -0.066 0.000 2.081 474 R HA -0.149 4.191 4.340 0.000 0.000 0.235 474 R C 2.265 178.537 176.300 -0.046 0.000 1.131 474 R CA 1.385 57.455 56.100 -0.050 0.000 0.960 474 R CB -0.049 30.227 30.300 -0.039 0.000 0.856 474 R HN 0.226 nan 8.270 nan 0.000 0.436 475 Q N -0.301 119.468 119.800 -0.051 0.000 2.084 475 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 475 Q C 2.147 178.119 176.000 -0.047 0.000 0.978 475 Q CA 1.457 57.232 55.803 -0.047 0.000 0.844 475 Q CB -0.074 28.633 28.738 -0.052 0.000 0.898 475 Q HN 0.263 nan 8.270 nan 0.000 0.426 476 R N -0.172 120.291 120.500 -0.060 0.000 2.081 476 R HA -0.091 4.249 4.340 0.000 0.000 0.235 476 R C 2.402 178.686 176.300 -0.027 0.000 1.131 476 R CA 1.181 57.252 56.100 -0.047 0.000 0.960 476 R CB -0.529 29.728 30.300 -0.072 0.000 0.856 476 R HN 0.348 nan 8.270 nan 0.000 0.436 477 G N 1.275 110.051 108.800 -0.040 0.000 2.422 477 G HA2 -0.230 3.730 3.960 0.000 0.000 0.218 477 G HA3 -0.230 3.730 3.960 0.000 0.000 0.218 477 G C 1.449 176.337 174.900 -0.020 0.000 1.146 477 G CA 0.569 45.647 45.100 -0.036 0.000 0.769 477 G HN 0.168 nan 8.290 nan 0.000 0.547 478 I N 0.305 120.865 120.570 -0.016 0.000 2.179 478 I HA -0.165 4.005 4.170 0.000 0.000 0.242 478 I C 2.776 178.902 176.117 0.015 0.000 1.088 478 I CA 0.535 61.833 61.300 -0.004 0.000 1.357 478 I CB -0.246 37.748 38.000 -0.009 0.000 1.051 478 I HN 0.034 nan 8.210 nan 0.000 0.409 479 V N 0.859 120.782 119.914 0.015 0.000 2.295 479 V HA -0.306 3.814 4.120 0.000 0.000 0.246 479 V C 2.632 178.795 176.094 0.115 0.000 1.049 479 V CA 2.061 64.385 62.300 0.042 0.000 1.024 479 V CB -0.846 30.986 31.823 0.016 0.000 0.648 479 V HN 0.433 nan 8.190 nan 0.000 0.447 480 R N 0.194 120.763 120.500 0.115 0.000 2.094 480 R HA -0.232 4.108 4.340 0.000 0.000 0.239 480 R C 2.059 178.419 176.300 0.100 0.000 1.137 480 R CA 2.453 58.652 56.100 0.165 0.000 0.943 480 R CB -0.494 29.808 30.300 0.003 0.000 0.850 480 R HN 0.517 nan 8.270 nan 0.000 0.433 481 D N 0.143 120.556 120.400 0.022 0.000 2.144 481 D HA -0.129 4.511 4.640 0.000 0.000 0.200 481 D C 1.849 178.184 176.300 0.058 0.000 0.978 481 D CA 1.220 55.223 54.000 0.004 0.000 0.833 481 D CB -0.170 40.623 40.800 -0.012 0.000 0.961 481 D HN 0.455 nan 8.370 nan 0.000 0.470 482 E N 0.049 120.295 120.200 0.076 0.000 2.072 482 E HA -0.135 4.215 4.350 0.000 0.000 0.191 482 E C 2.077 178.758 176.600 0.135 0.000 0.985 482 E CA 0.280 56.733 56.400 0.088 0.000 0.801 482 E CB -0.057 29.685 29.700 0.070 0.000 0.750 482 E HN 0.089 nan 8.360 nan 0.000 0.452 483 L N 1.091 122.428 121.223 0.189 0.000 2.046 483 L HA -0.115 4.225 4.340 0.000 0.000 0.208 483 L C 2.207 179.244 176.870 0.278 0.000 1.077 483 L CA 1.913 56.894 54.840 0.235 0.000 0.747 483 L CB -0.609 41.609 42.059 0.265 0.000 0.896 483 L HN 0.025 nan 8.230 nan 0.000 0.432 484 A N -0.875 122.154 122.820 0.349 0.000 1.908 484 A HA -0.286 4.034 4.320 0.000 0.000 0.218 484 A C 2.345 180.016 177.584 0.145 0.000 1.181 484 A CA 1.909 54.124 52.037 0.296 0.000 0.627 484 A CB -0.749 18.287 19.000 0.059 0.000 0.818 484 A HN 0.622 nan 8.150 nan 0.000 0.445 485 E N -0.331 119.929 120.200 0.099 0.000 2.077 485 E HA -0.161 4.189 4.350 0.000 0.000 0.193 485 E C 1.890 178.524 176.600 0.057 0.000 0.989 485 E CA 1.160 57.594 56.400 0.057 0.000 0.800 485 E CB -0.201 29.529 29.700 0.050 0.000 0.746 485 E HN 0.684 nan 8.360 nan 0.000 0.452 486 I N 0.332 120.965 120.570 0.106 0.000 2.179 486 I HA -0.263 3.907 4.170 0.000 0.000 0.242 486 I C 2.356 178.524 176.117 0.085 0.000 1.088 486 I CA 0.775 62.162 61.300 0.145 0.000 1.357 486 I CB -0.116 37.981 38.000 0.162 0.000 1.051 486 I HN 0.058 nan 8.210 nan 0.000 0.409 487 V N 0.568 120.522 119.914 0.065 0.000 2.427 487 V HA -0.265 3.855 4.120 0.000 0.000 0.248 487 V C 2.013 178.112 176.094 0.008 0.000 1.051 487 V CA 1.814 64.127 62.300 0.021 0.000 1.048 487 V CB -0.691 31.165 31.823 0.054 0.000 0.666 487 V HN 0.382 nan 8.190 nan 0.000 0.456 488 D N -0.142 120.269 120.400 0.018 0.000 2.123 488 D HA -0.183 4.457 4.640 0.000 0.000 0.196 488 D C 2.333 178.583 176.300 -0.084 0.000 0.992 488 D CA 1.418 55.409 54.000 -0.015 0.000 0.833 488 D CB -0.182 40.613 40.800 -0.008 0.000 0.954 488 D HN 0.328 nan 8.370 nan 0.000 0.455 489 R N -0.807 119.589 120.500 -0.174 0.000 2.100 489 R HA -0.017 4.323 4.340 0.000 0.000 0.220 489 R C 1.446 177.461 176.300 -0.476 0.000 1.091 489 R CA 0.873 56.746 56.100 -0.378 0.000 0.986 489 R CB 0.233 30.172 30.300 -0.601 0.000 0.888 489 R HN 0.273 nan 8.270 nan 0.000 0.444 490 H N -1.587 117.451 119.070 -0.053 0.000 2.827 490 H HA 0.234 4.790 4.556 0.000 0.000 0.269 490 H C 0.483 175.765 175.328 -0.076 0.000 1.031 490 H CA 0.382 56.381 56.048 -0.082 0.000 1.202 490 H CB 0.569 30.230 29.762 -0.168 0.000 1.511 490 H HN 0.182 nan 8.280 nan 0.000 0.517 491 G N 1.742 110.547 108.800 0.009 0.000 2.527 491 G HA2 0.292 4.252 3.960 0.000 0.000 0.248 491 G HA3 0.292 4.252 3.960 0.000 0.000 0.248 491 G C -0.256 174.688 174.900 0.073 0.000 1.231 491 G CA -0.150 44.959 45.100 0.015 0.000 0.838 491 G HN 0.301 nan 8.290 nan 0.000 0.570 492 D N -0.649 119.823 120.400 0.121 0.000 2.652 492 D HA 0.320 4.961 4.640 0.000 0.000 0.285 492 D C -1.004 175.335 176.300 0.064 0.000 1.173 492 D CA -0.848 53.206 54.000 0.090 0.000 0.981 492 D CB 0.504 41.365 40.800 0.101 0.000 1.440 492 D HN 0.196 nan 8.370 nan 0.000 0.485 493 D N -0.303 120.118 120.400 0.033 0.000 2.368 493 D HA 0.166 4.806 4.640 0.000 0.000 0.240 493 D C 0.393 176.695 176.300 0.003 0.000 1.169 493 D CA -0.075 53.935 54.000 0.016 0.000 0.906 493 D CB 0.655 41.459 40.800 0.007 0.000 1.187 493 D HN 0.340 nan 8.370 nan 0.000 0.435 494 R N 1.154 121.649 120.500 -0.007 0.000 2.590 494 R HA 0.063 4.403 4.340 0.000 0.000 0.274 494 R C 0.727 177.005 176.300 -0.037 0.000 1.061 494 R CA 0.254 56.335 56.100 -0.032 0.000 1.081 494 R CB 0.575 30.853 30.300 -0.035 0.000 0.984 494 R HN 0.406 nan 8.270 nan 0.000 0.448 495 R N 1.344 121.809 120.500 -0.058 0.000 2.142 495 R HA 0.094 4.434 4.340 0.000 0.000 0.204 495 R C 0.074 176.356 176.300 -0.030 0.000 1.059 495 R CA 0.560 56.637 56.100 -0.039 0.000 1.055 495 R CB 0.371 30.645 30.300 -0.042 0.000 0.976 495 R HN 0.538 nan 8.270 nan 0.000 0.483 496 T N 2.380 116.897 114.554 -0.061 0.000 2.761 496 T HA 0.253 4.603 4.350 0.000 0.000 0.296 496 T C -0.187 174.484 174.700 -0.048 0.000 0.934 496 T CA -0.169 61.910 62.100 -0.036 0.000 1.091 496 T CB 0.943 69.751 68.868 -0.099 0.000 0.896 496 T HN -0.000 nan 8.240 nan 0.000 0.515 497 R N 2.699 123.187 120.500 -0.019 0.000 2.308 497 R HA 0.462 4.803 4.340 0.000 0.000 0.305 497 R C -0.225 176.059 176.300 -0.026 0.000 1.053 497 R CA -0.299 55.787 56.100 -0.022 0.000 0.957 497 R CB 0.497 30.791 30.300 -0.010 0.000 1.022 497 R HN 0.584 nan 8.270 nan 0.000 0.461 498 I N 5.418 125.967 120.570 -0.035 0.000 2.315 498 I HA 0.323 4.493 4.170 0.000 0.000 0.291 498 I C 0.319 176.420 176.117 -0.026 0.000 1.006 498 I CA -0.367 60.911 61.300 -0.036 0.000 1.265 498 I CB 0.609 38.581 38.000 -0.046 0.000 1.387 498 I HN 0.555 nan 8.210 nan 0.000 0.475 499 I N 2.958 123.513 120.570 -0.026 0.000 3.170 499 I HA 0.919 5.089 4.170 0.000 0.000 0.312 499 I C 0.137 176.240 176.117 -0.024 0.000 1.085 499 I CA -0.974 60.313 61.300 -0.021 0.000 0.999 499 I CB 1.735 39.724 38.000 -0.019 0.000 1.233 499 I HN 0.507 nan 8.210 nan 0.000 0.467 500 A N 0.000 122.809 122.820 -0.019 0.000 2.254 500 A HA 0.000 4.320 4.320 0.000 0.000 0.244 500 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 500 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 500 A HN 0.000 nan 8.150 nan 0.000 0.486