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 2nqn_1_A DATA FIRST_RESID 6 DATA SEQUENCE GLMSLDTALN EMLSRVTPLT AQETLPLVQC FGRILASDVV SPLDVPGFDN DATA SEQUENCE SAMDGYAVRL ADIASGQPLP VAGKSFAGQP YHGEWPAGTC IRIMWGAPVP DATA SEQUENCE EGCEAVVMQE QTEQMDNGVR FTAEVRSGQN IRRRGEDISA GAVVFPAGTR DATA SEQUENCE LTTAELPVIA SLGIAEVPVI RKVRVALFST GDELQLPGQP LGDGQIYDTN DATA SEQUENCE RLAVHLMLEQ LGCEVINLGI IRDDPHALRA AFIEADSQAD VVISSGGVSV DATA SEQUENCE GEADYTKTIL EELGEIAFWK LAIKPGKPFA FGKLSNSWFC GLPGNPVSAT DATA SEQUENCE LTFYQLVQPL LAKLSGNTAS GLPARQRVRT ASRLKKTPGR LDFQRGVLQR DATA SEQUENCE NADGELEVTT TGHQGSHIFS SFSLGNCFIV LERDRGNVEV GEWVEVEPFN DATA SEQUENCE ALFGG 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 6 G HA2 0.000 nan 3.960 nan 0.000 0.244 6 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 6 G C 0.000 174.928 174.900 0.046 0.000 0.946 6 G CA 0.000 45.127 45.100 0.045 0.000 0.502 7 L N -2.053 119.187 121.223 0.028 0.000 6.827 7 L HA 0.080 4.418 4.340 -0.003 0.000 0.053 7 L C 0.157 177.021 176.870 -0.010 0.000 2.957 7 L CA 0.726 55.578 54.840 0.019 0.000 0.993 7 L CB -0.649 41.436 42.059 0.043 0.000 3.270 7 L HN 0.934 nan 8.230 nan 0.000 1.265 8 M N 2.026 121.610 119.600 -0.026 0.000 2.239 8 M HA 0.415 4.893 4.480 -0.003 0.000 0.348 8 M C 0.302 176.549 176.300 -0.088 0.000 1.239 8 M CA 0.656 55.895 55.300 -0.100 0.000 1.114 8 M CB 0.859 33.334 32.600 -0.208 0.000 1.641 8 M HN 0.526 nan 8.290 nan 0.000 0.453 9 S N 4.875 120.512 115.700 -0.106 0.000 2.610 9 S HA 0.198 4.666 4.470 -0.003 0.000 0.273 9 S C 1.010 175.548 174.600 -0.104 0.000 1.274 9 S CA -0.970 57.183 58.200 -0.079 0.000 1.023 9 S CB 1.189 64.347 63.200 -0.070 0.000 0.962 9 S HN 0.981 nan 8.310 nan 0.000 0.523 10 L N 0.977 122.165 121.223 -0.057 0.000 2.013 10 L HA -0.181 4.156 4.340 -0.003 0.000 0.212 10 L C 2.504 179.313 176.870 -0.102 0.000 1.073 10 L CA 2.369 57.171 54.840 -0.062 0.000 0.753 10 L CB -0.638 41.434 42.059 0.023 0.000 0.890 10 L HN 0.996 nan 8.230 nan 0.000 0.432 11 D N -1.177 119.174 120.400 -0.081 0.000 2.104 11 D HA -0.212 4.426 4.640 -0.003 0.000 0.194 11 D C 1.767 177.989 176.300 -0.129 0.000 0.994 11 D CA 2.048 55.994 54.000 -0.090 0.000 0.830 11 D CB 0.271 41.031 40.800 -0.068 0.000 0.959 11 D HN 0.341 nan 8.370 nan 0.000 0.452 12 T N 0.456 114.917 114.554 -0.155 0.000 2.674 12 T HA -0.090 4.258 4.350 -0.003 0.000 0.265 12 T C 2.005 176.523 174.700 -0.304 0.000 1.039 12 T CA 1.761 63.739 62.100 -0.203 0.000 1.150 12 T CB -0.415 68.324 68.868 -0.215 0.000 0.864 12 T HN 0.292 nan 8.240 nan 0.000 0.427 13 A N 1.368 123.948 122.820 -0.400 0.000 1.883 13 A HA -0.059 4.259 4.320 -0.003 0.000 0.217 13 A C 2.233 179.639 177.584 -0.298 0.000 1.186 13 A CA 1.305 52.993 52.037 -0.581 0.000 0.624 13 A CB -0.915 17.820 19.000 -0.441 0.000 0.822 13 A HN 0.368 nan 8.150 nan 0.000 0.444 14 L N 0.453 121.547 121.223 -0.216 0.000 1.989 14 L HA -0.186 4.152 4.340 -0.003 0.000 0.211 14 L C 2.021 178.789 176.870 -0.169 0.000 1.071 14 L CA 2.495 57.224 54.840 -0.184 0.000 0.749 14 L CB -1.398 40.568 42.059 -0.154 0.000 0.890 14 L HN 0.522 nan 8.230 nan 0.000 0.431 15 N N -0.812 117.800 118.700 -0.148 0.000 2.166 15 N HA -0.241 4.497 4.740 -0.003 0.000 0.186 15 N C 1.818 177.269 175.510 -0.099 0.000 1.019 15 N CA 1.290 54.272 53.050 -0.114 0.000 0.856 15 N CB 0.004 38.433 38.487 -0.097 0.000 0.993 15 N HN 0.402 nan 8.380 nan 0.000 0.426 16 E N 0.017 120.148 120.200 -0.114 0.000 2.051 16 E HA -0.119 4.229 4.350 -0.003 0.000 0.192 16 E C 1.871 178.475 176.600 0.007 0.000 0.991 16 E CA 1.362 57.747 56.400 -0.025 0.000 0.799 16 E CB -0.106 29.566 29.700 -0.046 0.000 0.748 16 E HN 0.399 nan 8.360 nan 0.000 0.449 17 M N -0.246 119.280 119.600 -0.124 0.000 2.067 17 M HA -0.138 4.340 4.480 -0.003 0.000 0.260 17 M C 2.265 178.387 176.300 -0.297 0.000 1.069 17 M CA 1.431 56.490 55.300 -0.401 0.000 1.117 17 M CB -0.361 31.845 32.600 -0.656 0.000 1.334 17 M HN 0.161 nan 8.290 nan 0.000 0.407 18 L N -0.200 120.888 121.223 -0.226 0.000 2.083 18 L HA -0.169 4.169 4.340 -0.003 0.000 0.209 18 L C 2.734 179.535 176.870 -0.116 0.000 1.083 18 L CA 1.557 56.290 54.840 -0.179 0.000 0.752 18 L CB -1.147 40.827 42.059 -0.142 0.000 0.899 18 L HN 0.445 nan 8.230 nan 0.000 0.433 19 S N -0.105 115.552 115.700 -0.073 0.000 2.442 19 S HA -0.125 4.343 4.470 -0.003 0.000 0.236 19 S C 1.910 176.517 174.600 0.011 0.000 1.007 19 S CA 0.581 58.768 58.200 -0.022 0.000 0.965 19 S CB -0.246 62.952 63.200 -0.003 0.000 0.773 19 S HN 0.449 nan 8.310 nan 0.000 0.504 20 R N 0.342 120.840 120.500 -0.003 0.000 2.254 20 R HA 0.316 4.654 4.340 -0.003 0.000 0.195 20 R C -0.058 176.272 176.300 0.050 0.000 0.957 20 R CA 0.086 56.233 56.100 0.080 0.000 1.024 20 R CB -0.097 30.301 30.300 0.164 0.000 0.952 20 R HN 0.314 nan 8.270 nan 0.000 0.484 21 V N 2.176 122.004 119.914 -0.144 0.000 2.546 21 V HA 0.118 4.236 4.120 -0.003 0.000 0.284 21 V C 0.234 176.355 176.094 0.046 0.000 1.050 21 V CA 0.232 62.454 62.300 -0.129 0.000 0.981 21 V CB 1.713 33.337 31.823 -0.333 0.000 0.990 21 V HN 0.093 nan 8.190 nan 0.000 0.474 22 T N 7.128 121.777 114.554 0.158 0.000 2.770 22 T HA 0.415 4.763 4.350 -0.003 0.000 0.283 22 T C -2.510 172.251 174.700 0.102 0.000 0.988 22 T CA -1.031 61.143 62.100 0.123 0.000 0.957 22 T CB 1.534 70.491 68.868 0.149 0.000 0.930 22 T HN 0.461 nan 8.240 nan 0.000 0.443 23 P HA 0.135 nan 4.420 nan 0.000 0.266 23 P C -0.247 177.086 177.300 0.055 0.000 1.195 23 P CA -0.685 62.441 63.100 0.044 0.000 0.768 23 P CB 0.388 32.101 31.700 0.022 0.000 0.838 24 L N 2.544 123.798 121.223 0.053 0.000 2.473 24 L HA 0.129 4.467 4.340 -0.003 0.000 0.268 24 L C 1.611 178.502 176.870 0.035 0.000 1.215 24 L CA 1.269 56.139 54.840 0.050 0.000 0.823 24 L CB -0.289 41.798 42.059 0.046 0.000 1.099 24 L HN 0.613 nan 8.230 nan 0.000 0.483 25 T N -2.165 112.409 114.554 0.033 0.000 3.009 25 T HA 0.392 4.740 4.350 -0.003 0.000 0.267 25 T C 0.534 175.247 174.700 0.021 0.000 0.942 25 T CA 0.255 62.370 62.100 0.025 0.000 0.883 25 T CB -0.031 68.852 68.868 0.025 0.000 1.192 25 T HN 0.586 nan 8.240 nan 0.000 0.524 26 A N 2.518 125.352 122.820 0.023 0.000 2.540 26 A HA 0.515 4.832 4.320 -0.003 0.000 0.239 26 A C 0.332 177.926 177.584 0.017 0.000 1.061 26 A CA -0.212 51.837 52.037 0.019 0.000 0.758 26 A CB -0.061 18.952 19.000 0.021 0.000 0.991 26 A HN 0.763 nan 8.150 nan 0.000 0.502 27 Q N 1.128 120.937 119.800 0.014 0.000 2.528 27 Q HA 0.758 5.096 4.340 -0.003 0.000 0.289 27 Q C -1.026 174.981 176.000 0.012 0.000 1.091 27 Q CA -0.934 54.876 55.803 0.012 0.000 0.797 27 Q CB 1.733 30.477 28.738 0.011 0.000 1.466 27 Q HN 0.803 nan 8.270 nan 0.000 0.436 28 E N 0.112 120.318 120.200 0.010 0.000 2.383 28 E HA 0.528 4.876 4.350 -0.003 0.000 0.275 28 E C -1.306 175.299 176.600 0.009 0.000 0.918 28 E CA -0.996 55.410 56.400 0.010 0.000 0.764 28 E CB 2.238 31.944 29.700 0.011 0.000 1.252 28 E HN 0.483 nan 8.360 nan 0.000 0.449 29 T N 2.335 116.895 114.554 0.010 0.000 2.758 29 T HA 0.504 4.852 4.350 -0.003 0.000 0.285 29 T C -0.435 174.271 174.700 0.010 0.000 0.981 29 T CA -0.483 61.622 62.100 0.010 0.000 0.965 29 T CB 0.245 69.120 68.868 0.010 0.000 0.927 29 T HN 0.297 nan 8.240 nan 0.000 0.448 30 L N 4.540 125.769 121.223 0.010 0.000 2.354 30 L HA 0.576 4.914 4.340 -0.003 0.000 0.264 30 L C -2.505 174.372 176.870 0.012 0.000 1.008 30 L CA -2.963 51.884 54.840 0.012 0.000 0.819 30 L CB 2.026 44.092 42.059 0.013 0.000 1.339 30 L HN 0.324 nan 8.230 nan 0.000 0.420 31 P HA 0.135 nan 4.420 nan 0.000 0.269 31 P C 0.827 178.138 177.300 0.017 0.000 1.215 31 P CA -0.284 62.826 63.100 0.015 0.000 0.780 31 P CB 0.664 32.374 31.700 0.016 0.000 0.898 32 L N 2.091 123.324 121.223 0.017 0.000 2.043 32 L HA -0.184 4.154 4.340 -0.003 0.000 0.212 32 L C 2.348 179.236 176.870 0.030 0.000 1.075 32 L CA 1.494 56.344 54.840 0.017 0.000 0.752 32 L CB -0.924 41.146 42.059 0.017 0.000 0.891 32 L HN 0.240 nan 8.230 nan 0.000 0.432 33 V N -0.227 119.707 119.914 0.034 0.000 2.828 33 V HA -0.263 3.855 4.120 -0.003 0.000 0.260 33 V C 1.912 178.038 176.094 0.052 0.000 1.101 33 V CA 1.717 64.043 62.300 0.044 0.000 1.123 33 V CB -0.297 31.544 31.823 0.031 0.000 0.704 33 V HN 0.565 nan 8.190 nan 0.000 0.493 34 Q N -2.263 117.563 119.800 0.044 0.000 2.247 34 Q HA 0.125 4.463 4.340 -0.003 0.000 0.204 34 Q C 1.529 177.562 176.000 0.056 0.000 0.872 34 Q CA 0.262 56.094 55.803 0.047 0.000 0.951 34 Q CB 0.393 29.150 28.738 0.031 0.000 1.099 34 Q HN 0.658 nan 8.270 nan 0.000 0.501 35 C N 0.463 119.796 119.300 0.055 0.000 2.791 35 C HA 0.208 4.666 4.460 -0.003 0.000 0.270 35 C C 0.671 175.678 174.990 0.028 0.000 1.257 35 C CA -0.774 58.260 59.018 0.027 0.000 1.699 35 C CB -1.361 26.370 27.740 -0.015 0.000 1.904 35 C HN 0.414 nan 8.230 nan 0.000 0.603 36 F N 1.468 121.401 119.950 -0.027 0.000 2.578 36 F HA 0.413 4.938 4.527 -0.004 0.000 0.381 36 F C 1.416 177.199 175.800 -0.027 0.000 1.069 36 F CA 1.926 59.908 58.000 -0.030 0.000 1.231 36 F CB 0.416 39.403 39.000 -0.022 0.000 1.086 36 F HN 0.456 nan 8.300 nan 0.000 0.564 37 G N 3.922 112.521 108.800 -0.334 0.000 2.205 37 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.261 37 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.261 37 G C 0.433 175.287 174.900 -0.076 0.000 0.980 37 G CA -0.169 44.865 45.100 -0.111 0.000 0.632 37 G HN 0.599 nan 8.290 nan 0.000 0.533 38 R N 0.182 120.636 120.500 -0.078 0.000 2.560 38 R HA 0.528 4.865 4.340 -0.003 0.000 0.270 38 R C 0.568 176.821 176.300 -0.079 0.000 1.074 38 R CA -0.743 55.326 56.100 -0.051 0.000 1.140 38 R CB 0.416 30.699 30.300 -0.028 0.000 1.073 38 R HN 0.214 nan 8.270 nan 0.000 0.527 39 I N 3.023 123.563 120.570 -0.052 0.000 2.315 39 I HA 0.197 4.365 4.170 -0.003 0.000 0.291 39 I C 0.891 176.984 176.117 -0.039 0.000 1.006 39 I CA -0.804 60.465 61.300 -0.051 0.000 1.265 39 I CB 0.504 38.484 38.000 -0.033 0.000 1.387 39 I HN 0.329 nan 8.210 nan 0.000 0.475 40 L N 5.172 126.368 121.223 -0.046 0.000 2.559 40 L HA -0.025 4.313 4.340 -0.003 0.000 0.274 40 L C 1.422 178.288 176.870 -0.006 0.000 1.205 40 L CA 0.076 54.901 54.840 -0.024 0.000 0.907 40 L CB 1.143 43.193 42.059 -0.016 0.000 1.153 40 L HN 0.815 nan 8.230 nan 0.000 0.490 41 A N 3.088 125.909 122.820 0.001 0.000 2.030 41 A HA 0.114 4.432 4.320 -0.003 0.000 0.215 41 A C 0.779 178.371 177.584 0.012 0.000 1.164 41 A CA 0.499 52.540 52.037 0.007 0.000 0.697 41 A CB 0.137 19.142 19.000 0.007 0.000 0.827 41 A HN 0.660 nan 8.150 nan 0.000 0.457 42 S N 0.144 115.853 115.700 0.016 0.000 2.595 42 S HA 0.442 4.910 4.470 -0.003 0.000 0.281 42 S C -1.629 172.990 174.600 0.032 0.000 1.117 42 S CA -0.963 57.249 58.200 0.021 0.000 0.873 42 S CB 1.327 64.538 63.200 0.019 0.000 1.108 42 S HN 0.284 nan 8.310 nan 0.000 0.477 43 D N 1.338 121.757 120.400 0.032 0.000 2.449 43 D HA 0.202 4.840 4.640 -0.003 0.000 0.236 43 D C -0.377 175.953 176.300 0.050 0.000 1.149 43 D CA 0.230 54.256 54.000 0.044 0.000 0.878 43 D CB 0.480 41.296 40.800 0.027 0.000 1.198 43 D HN 0.153 nan 8.370 nan 0.000 0.446 44 V N 2.772 122.733 119.914 0.078 0.000 2.370 44 V HA 0.215 4.333 4.120 -0.003 0.000 0.279 44 V C 0.143 176.257 176.094 0.032 0.000 1.029 44 V CA -0.599 61.748 62.300 0.079 0.000 0.870 44 V CB 1.607 33.529 31.823 0.165 0.000 0.984 44 V HN 0.214 nan 8.190 nan 0.000 0.451 45 V N 4.338 124.262 119.914 0.016 0.000 2.417 45 V HA 0.338 4.456 4.120 -0.003 0.000 0.291 45 V C 0.480 176.568 176.094 -0.009 0.000 1.024 45 V CA -0.407 61.889 62.300 -0.007 0.000 0.861 45 V CB 1.926 33.746 31.823 -0.004 0.000 0.985 45 V HN 0.872 nan 8.190 nan 0.000 0.436 46 S N 7.002 122.686 115.700 -0.028 0.000 2.516 46 S HA 0.199 4.667 4.470 -0.003 0.000 0.282 46 S C -1.100 173.490 174.600 -0.018 0.000 1.286 46 S CA -0.786 57.398 58.200 -0.026 0.000 1.066 46 S CB 0.862 64.033 63.200 -0.048 0.000 0.884 46 S HN 0.690 nan 8.310 nan 0.000 0.491 47 P HA 0.182 nan 4.420 nan 0.000 0.245 47 P C -0.499 176.795 177.300 -0.009 0.000 1.206 47 P CA 0.226 63.322 63.100 -0.006 0.000 0.781 47 P CB -0.183 31.517 31.700 0.000 0.000 0.994 48 L N -4.160 117.053 121.223 -0.016 0.000 2.403 48 L HA 0.675 5.013 4.340 -0.003 0.000 0.253 48 L C -0.684 176.165 176.870 -0.035 0.000 1.045 48 L CA -1.188 53.640 54.840 -0.020 0.000 0.845 48 L CB 0.247 42.296 42.059 -0.016 0.000 1.447 48 L HN -0.412 nan 8.230 nan 0.000 0.411 49 D N 0.464 120.839 120.400 -0.041 0.000 2.304 49 D HA 0.569 5.207 4.640 -0.003 0.000 0.247 49 D C -0.919 175.325 176.300 -0.094 0.000 1.089 49 D CA 0.064 54.027 54.000 -0.062 0.000 0.910 49 D CB 2.351 43.116 40.800 -0.057 0.000 1.199 49 D HN 0.390 nan 8.370 nan 0.000 0.426 50 V N 4.151 123.998 119.914 -0.111 0.000 2.509 50 V HA 0.223 4.341 4.120 -0.003 0.000 0.289 50 V C -2.344 173.657 176.094 -0.155 0.000 1.026 50 V CA -1.362 60.855 62.300 -0.138 0.000 0.872 50 V CB 2.105 33.868 31.823 -0.100 0.000 1.017 50 V HN 0.401 nan 8.190 nan 0.000 0.436 51 P HA 0.229 nan 4.420 nan 0.000 0.276 51 P C 0.889 177.951 177.300 -0.397 0.000 1.244 51 P CA -0.087 62.781 63.100 -0.386 0.000 0.801 51 P CB 1.445 32.854 31.700 -0.486 0.000 1.006 52 G N 0.589 109.074 108.800 -0.525 0.000 2.848 52 G HA2 0.259 4.217 3.960 -0.003 0.000 0.208 52 G HA3 0.259 4.217 3.960 -0.003 0.000 0.208 52 G C -0.158 174.671 174.900 -0.119 0.000 1.152 52 G CA 0.050 44.998 45.100 -0.253 0.000 0.789 52 G HN 0.585 nan 8.290 nan 0.000 0.531 53 F N -2.466 117.470 119.950 -0.023 0.000 2.770 53 F HA 0.455 4.980 4.527 -0.003 0.000 0.313 53 F C -1.646 174.141 175.800 -0.021 0.000 1.154 53 F CA -2.603 55.387 58.000 -0.016 0.000 0.923 53 F CB 0.178 39.172 39.000 -0.011 0.000 1.301 53 F HN -0.200 nan 8.300 nan 0.000 0.449 54 D N 2.318 122.878 120.400 0.267 0.000 2.425 54 D HA 0.304 4.942 4.640 -0.003 0.000 0.247 54 D C -0.397 176.051 176.300 0.248 0.000 1.147 54 D CA 0.415 54.514 54.000 0.165 0.000 0.879 54 D CB 0.364 41.235 40.800 0.119 0.000 1.179 54 D HN 0.745 nan 8.370 nan 0.000 0.456 55 N N -0.166 118.615 118.700 0.135 0.000 2.525 55 N HA 0.249 4.987 4.740 -0.003 0.000 0.270 55 N C -1.086 174.455 175.510 0.052 0.000 1.321 55 N CA -0.829 52.296 53.050 0.125 0.000 0.797 55 N CB 1.492 40.047 38.487 0.114 0.000 1.529 55 N HN 0.209 nan 8.380 nan 0.000 0.491 56 S N -0.757 114.972 115.700 0.047 0.000 2.549 56 S HA 0.390 4.858 4.470 -0.003 0.000 0.279 56 S C 1.092 175.761 174.600 0.115 0.000 1.321 56 S CA -0.043 58.202 58.200 0.075 0.000 1.054 56 S CB 0.133 63.385 63.200 0.086 0.000 0.899 56 S HN 0.704 nan 8.310 nan 0.000 0.497 57 A N 5.379 128.307 122.820 0.180 0.000 2.235 57 A HA 0.340 4.658 4.320 -0.003 0.000 0.208 57 A C 0.677 178.562 177.584 0.501 0.000 1.172 57 A CA 0.489 52.707 52.037 0.302 0.000 0.786 57 A CB -0.601 18.515 19.000 0.193 0.000 0.804 57 A HN 1.000 nan 8.150 nan 0.000 0.479 58 M N -2.444 117.410 119.600 0.423 0.000 3.230 58 M HA 0.198 4.676 4.480 -0.003 0.000 0.268 58 M C -2.694 173.731 176.300 0.210 0.000 0.916 58 M CA -0.803 54.684 55.300 0.311 0.000 0.808 58 M CB 0.142 32.812 32.600 0.116 0.000 1.584 58 M HN -0.010 nan 8.290 nan 0.000 0.568 59 D N 1.161 121.643 120.400 0.137 0.000 2.414 59 D HA 0.652 5.290 4.640 -0.003 0.000 0.242 59 D C 0.727 177.032 176.300 0.009 0.000 1.129 59 D CA 1.144 55.183 54.000 0.065 0.000 0.885 59 D CB 1.304 42.125 40.800 0.034 0.000 1.198 59 D HN 0.954 nan 8.370 nan 0.000 0.437 60 G N 0.230 108.964 108.800 -0.109 0.000 2.566 60 G HA2 0.261 4.219 3.960 -0.003 0.000 0.138 60 G HA3 0.261 4.219 3.960 -0.003 0.000 0.138 60 G C -1.982 172.658 174.900 -0.433 0.000 1.133 60 G CA -0.731 44.293 45.100 -0.127 0.000 1.037 60 G HN 0.358 nan 8.290 nan 0.000 0.491 61 Y N 0.262 120.648 120.300 0.143 0.000 2.492 61 Y HA 0.741 5.289 4.550 -0.003 0.000 0.346 61 Y C 0.434 176.418 175.900 0.141 0.000 0.997 61 Y CA -0.395 57.799 58.100 0.157 0.000 1.025 61 Y CB 2.286 40.934 38.460 0.313 0.000 1.263 61 Y HN 0.858 nan 8.280 nan 0.000 0.454 62 A N 2.427 125.351 122.820 0.173 0.000 2.309 62 A HA 0.837 5.155 4.320 -0.003 0.000 0.298 62 A C -0.297 177.452 177.584 0.274 0.000 1.165 62 A CA -0.240 51.858 52.037 0.102 0.000 0.821 62 A CB 0.183 19.097 19.000 -0.143 0.000 1.102 62 A HN 1.000 nan 8.150 nan 0.000 0.500 63 V N 0.228 120.322 119.914 0.300 0.000 3.112 63 V HA 0.845 4.963 4.120 -0.003 0.000 0.310 63 V C -0.724 175.483 176.094 0.188 0.000 1.364 63 V CA -1.295 61.174 62.300 0.281 0.000 1.058 63 V CB 1.638 33.386 31.823 -0.126 0.000 1.079 63 V HN 0.924 nan 8.190 nan 0.000 0.463 64 R N 0.423 120.901 120.500 -0.036 0.000 2.673 64 R HA 0.502 4.840 4.340 -0.003 0.000 0.281 64 R C 0.666 176.888 176.300 -0.129 0.000 0.991 64 R CA -0.673 55.370 56.100 -0.094 0.000 0.896 64 R CB 2.082 32.249 30.300 -0.222 0.000 1.201 64 R HN 0.821 nan 8.270 nan 0.000 0.457 65 L N 2.672 123.840 121.223 -0.093 0.000 2.034 65 L HA -0.296 4.042 4.340 -0.003 0.000 0.217 65 L C 1.687 178.492 176.870 -0.108 0.000 1.077 65 L CA 2.931 57.716 54.840 -0.092 0.000 0.769 65 L CB -0.999 41.024 42.059 -0.060 0.000 0.890 65 L HN 0.928 nan 8.230 nan 0.000 0.435 66 A N 1.116 123.868 122.820 -0.113 0.000 1.877 66 A HA -0.368 3.949 4.320 -0.003 0.000 0.218 66 A C 1.730 179.242 177.584 -0.121 0.000 1.301 66 A CA 2.828 54.796 52.037 -0.115 0.000 0.699 66 A CB -1.543 17.372 19.000 -0.140 0.000 0.844 66 A HN 0.675 nan 8.150 nan 0.000 0.464 67 D N -0.986 119.321 120.400 -0.156 0.000 2.315 67 D HA -0.115 4.523 4.640 -0.003 0.000 0.211 67 D C 1.370 177.592 176.300 -0.130 0.000 0.977 67 D CA 1.224 55.142 54.000 -0.138 0.000 0.894 67 D CB -0.189 40.514 40.800 -0.162 0.000 0.910 67 D HN 0.374 nan 8.370 nan 0.000 0.490 68 I N 0.008 120.479 120.570 -0.165 0.000 3.035 68 I HA 0.169 4.337 4.170 -0.003 0.000 0.271 68 I C 2.019 178.086 176.117 -0.083 0.000 1.190 68 I CA 0.106 61.306 61.300 -0.167 0.000 1.472 68 I CB -0.212 37.641 38.000 -0.245 0.000 1.116 68 I HN -0.015 nan 8.210 nan 0.000 0.443 69 A N -0.480 122.296 122.820 -0.075 0.000 2.015 69 A HA -0.188 4.130 4.320 -0.003 0.000 0.219 69 A C 2.489 180.053 177.584 -0.033 0.000 1.163 69 A CA 1.744 53.752 52.037 -0.048 0.000 0.646 69 A CB -0.979 17.992 19.000 -0.049 0.000 0.806 69 A HN 0.507 nan 8.150 nan 0.000 0.448 70 S N -0.697 114.981 115.700 -0.037 0.000 2.356 70 S HA 0.175 4.643 4.470 -0.003 0.000 0.223 70 S C 1.622 176.218 174.600 -0.008 0.000 1.032 70 S CA 1.982 60.169 58.200 -0.023 0.000 1.005 70 S CB -0.678 62.508 63.200 -0.025 0.000 0.867 70 S HN 2.056 nan 8.310 nan 0.000 0.449 71 G N 0.812 109.613 108.800 0.002 0.000 2.132 71 G HA2 -0.195 3.763 3.960 -0.003 0.000 0.228 71 G HA3 -0.195 3.763 3.960 -0.003 0.000 0.228 71 G C -0.242 174.677 174.900 0.031 0.000 1.000 71 G CA 0.350 45.462 45.100 0.021 0.000 0.693 71 G HN 0.895 nan 8.290 nan 0.000 0.515 72 Q N 0.583 120.403 119.800 0.033 0.000 2.297 72 Q HA 0.632 4.970 4.340 -0.003 0.000 0.268 72 Q C -2.740 173.298 176.000 0.064 0.000 1.045 72 Q CA -1.996 53.827 55.803 0.034 0.000 0.861 72 Q CB 2.632 31.380 28.738 0.017 0.000 1.344 72 Q HN 0.205 nan 8.270 nan 0.000 0.452 73 P HA 0.216 nan 4.420 nan 0.000 0.276 73 P C -0.753 176.586 177.300 0.065 0.000 1.253 73 P CA 0.045 63.173 63.100 0.047 0.000 0.766 73 P CB 0.341 32.038 31.700 -0.004 0.000 0.845 74 L N 6.356 127.661 121.223 0.136 0.000 2.292 74 L HA 0.452 4.790 4.340 -0.003 0.000 0.284 74 L C -2.048 174.881 176.870 0.097 0.000 1.065 74 L CA -2.422 52.499 54.840 0.136 0.000 0.806 74 L CB 0.927 43.115 42.059 0.215 0.000 1.175 74 L HN 0.188 nan 8.230 nan 0.000 0.431 75 P HA 0.120 nan 4.420 nan 0.000 0.284 75 P C -0.374 176.982 177.300 0.092 0.000 1.253 75 P CA -0.447 62.688 63.100 0.060 0.000 0.800 75 P CB 1.312 33.041 31.700 0.048 0.000 0.961 76 V N 3.225 123.187 119.914 0.079 0.000 2.420 76 V HA 0.038 4.156 4.120 -0.003 0.000 0.274 76 V C 1.761 177.873 176.094 0.031 0.000 1.003 76 V CA 0.977 63.328 62.300 0.085 0.000 1.092 76 V CB -0.518 31.364 31.823 0.099 0.000 1.002 76 V HN 0.733 nan 8.190 nan 0.000 0.473 77 A N 4.336 127.162 122.820 0.011 0.000 1.984 77 A HA 0.555 4.873 4.320 -0.003 0.000 0.214 77 A C 1.166 178.637 177.584 -0.189 0.000 1.173 77 A CA 1.013 53.041 52.037 -0.014 0.000 0.673 77 A CB 0.052 19.118 19.000 0.110 0.000 0.830 77 A HN 0.954 nan 8.150 nan 0.000 0.453 78 G N -0.971 107.535 108.800 -0.490 0.000 2.663 78 G HA2 0.547 4.504 3.960 -0.003 0.000 0.299 78 G HA3 0.547 4.504 3.960 -0.003 0.000 0.299 78 G C -1.677 172.833 174.900 -0.651 0.000 1.372 78 G CA -0.362 44.262 45.100 -0.793 0.000 0.781 78 G HN 0.468 nan 8.290 nan 0.000 0.491 79 K N -1.377 118.692 120.400 -0.551 0.000 2.501 79 K HA 0.724 5.042 4.320 -0.003 0.000 0.252 79 K C -1.118 175.152 176.600 -0.549 0.000 0.934 79 K CA -0.732 55.209 56.287 -0.576 0.000 0.797 79 K CB 2.168 34.244 32.500 -0.707 0.000 1.270 79 K HN 0.514 nan 8.250 nan 0.000 0.431 80 S N 3.496 118.889 115.700 -0.511 0.000 2.478 80 S HA 0.626 5.094 4.470 -0.003 0.000 0.312 80 S C -1.140 173.317 174.600 -0.237 0.000 1.094 80 S CA -0.658 57.350 58.200 -0.319 0.000 1.081 80 S CB 0.084 63.170 63.200 -0.191 0.000 1.007 80 S HN 0.536 nan 8.310 nan 0.000 0.475 81 F N 2.002 121.920 119.950 -0.053 0.000 2.585 81 F HA 0.551 5.076 4.527 -0.003 0.000 0.350 81 F C 1.714 177.501 175.800 -0.021 0.000 1.074 81 F CA -1.133 56.849 58.000 -0.031 0.000 1.032 81 F CB 0.940 39.926 39.000 -0.023 0.000 1.330 81 F HN 0.713 nan 8.300 nan 0.000 0.495 82 A N 1.029 123.983 122.820 0.223 0.000 1.883 82 A HA -0.263 4.055 4.320 -0.003 0.000 0.226 82 A C 1.819 179.463 177.584 0.099 0.000 1.512 82 A CA 2.565 54.664 52.037 0.104 0.000 0.738 82 A CB -1.612 17.418 19.000 0.051 0.000 0.848 82 A HN 0.978 nan 8.150 nan 0.000 0.477 83 G N -1.713 107.142 108.800 0.092 0.000 3.651 83 G HA2 0.444 4.402 3.960 -0.003 0.000 0.279 83 G HA3 0.444 4.402 3.960 -0.003 0.000 0.279 83 G C 0.065 174.995 174.900 0.051 0.000 1.024 83 G CA 0.146 45.287 45.100 0.068 0.000 0.813 83 G HN 0.608 nan 8.290 nan 0.000 0.518 84 Q N 1.894 121.740 119.800 0.077 0.000 2.700 84 Q HA 0.256 4.594 4.340 -0.003 0.000 0.249 84 Q C -2.633 173.340 176.000 -0.045 0.000 1.033 84 Q CA -2.068 53.765 55.803 0.051 0.000 0.804 84 Q CB 1.992 30.815 28.738 0.141 0.000 1.164 84 Q HN 0.179 nan 8.270 nan 0.000 0.500 85 P HA -0.097 nan 4.420 nan 0.000 0.271 85 P C -1.184 175.865 177.300 -0.419 0.000 1.244 85 P CA -0.086 62.894 63.100 -0.201 0.000 0.793 85 P CB 0.649 32.267 31.700 -0.136 0.000 0.984 86 Y N 1.309 121.296 120.300 -0.521 0.000 2.328 86 Y HA 0.377 4.925 4.550 -0.003 0.000 0.336 86 Y C -0.141 175.446 175.900 -0.522 0.000 0.960 86 Y CA -0.379 57.364 58.100 -0.595 0.000 1.134 86 Y CB 0.887 39.087 38.460 -0.433 0.000 1.166 86 Y HN 0.416 nan 8.280 nan 0.000 0.464 87 H N 3.342 121.991 119.070 -0.702 0.000 2.865 87 H HA 0.847 5.401 4.556 -0.003 0.000 0.372 87 H C 0.101 175.103 175.328 -0.543 0.000 1.173 87 H CA -0.960 54.815 56.048 -0.456 0.000 1.147 87 H CB 1.879 31.494 29.762 -0.245 0.000 1.805 87 H HN 0.933 nan 8.280 nan 0.000 0.553 88 G N 1.639 110.374 108.800 -0.109 0.000 2.254 88 G HA2 -0.131 3.827 3.960 -0.003 0.000 0.193 88 G HA3 -0.131 3.827 3.960 -0.003 0.000 0.193 88 G C -1.314 173.621 174.900 0.058 0.000 1.233 88 G CA -0.398 44.663 45.100 -0.066 0.000 1.290 88 G HN 0.790 nan 8.290 nan 0.000 0.517 89 E N -0.420 119.844 120.200 0.107 0.000 2.191 89 E HA 0.532 4.880 4.350 -0.003 0.000 0.278 89 E C -1.206 175.622 176.600 0.381 0.000 0.972 89 E CA -0.832 55.690 56.400 0.203 0.000 0.804 89 E CB 2.233 32.017 29.700 0.141 0.000 1.110 89 E HN 0.509 nan 8.360 nan 0.000 0.394 90 W N 4.992 126.373 121.300 0.134 0.000 2.416 90 W HA 0.364 5.022 4.660 -0.003 0.000 0.294 90 W C -2.542 174.011 176.519 0.056 0.000 0.966 90 W CA -3.208 54.206 57.345 0.115 0.000 1.686 90 W CB 0.133 29.657 29.460 0.107 0.000 1.612 90 W HN 0.438 nan 8.180 nan 0.000 0.420 91 P HA -0.093 nan 4.420 nan 0.000 0.258 91 P C 0.796 178.023 177.300 -0.122 0.000 1.136 91 P CA 0.945 64.081 63.100 0.060 0.000 0.761 91 P CB 0.382 32.142 31.700 0.099 0.000 0.724 92 A N 3.681 126.418 122.820 -0.139 0.000 2.310 92 A HA 0.046 4.364 4.320 -0.003 0.000 0.206 92 A C 1.664 179.125 177.584 -0.205 0.000 1.253 92 A CA 1.515 53.421 52.037 -0.219 0.000 0.768 92 A CB -0.916 18.001 19.000 -0.138 0.000 0.755 92 A HN 0.667 nan 8.150 nan 0.000 0.505 93 G N -1.747 106.962 108.800 -0.151 0.000 3.815 93 G HA2 0.349 4.307 3.960 -0.003 0.000 0.265 93 G HA3 0.349 4.307 3.960 -0.003 0.000 0.265 93 G C 0.484 175.361 174.900 -0.037 0.000 1.026 93 G CA 0.764 45.807 45.100 -0.095 0.000 0.868 93 G HN 0.640 nan 8.290 nan 0.000 0.476 94 T N -1.953 112.594 114.554 -0.013 0.000 2.844 94 T HA 0.658 5.006 4.350 -0.003 0.000 0.274 94 T C 0.143 175.057 174.700 0.356 0.000 0.991 94 T CA -0.365 61.831 62.100 0.161 0.000 0.983 94 T CB 1.616 70.622 68.868 0.230 0.000 1.310 94 T HN 0.731 nan 8.240 nan 0.000 0.596 95 C N -0.027 119.556 119.300 0.471 0.000 3.080 95 C HA 0.874 5.332 4.460 -0.003 0.000 0.307 95 C C -1.161 173.995 174.990 0.276 0.000 1.311 95 C CA -1.082 58.268 59.018 0.553 0.000 1.533 95 C CB 0.566 28.595 27.740 0.482 0.000 1.970 95 C HN 0.846 nan 8.230 nan 0.000 0.467 96 I N 2.294 122.871 120.570 0.011 0.000 2.433 96 I HA 0.502 4.670 4.170 -0.003 0.000 0.292 96 I C 0.293 176.324 176.117 -0.144 0.000 1.001 96 I CA -0.208 60.894 61.300 -0.329 0.000 1.119 96 I CB 1.487 38.984 38.000 -0.838 0.000 1.289 96 I HN 0.889 nan 8.210 nan 0.000 0.438 97 R N 5.507 125.885 120.500 -0.203 0.000 2.543 97 R HA 0.587 4.925 4.340 -0.003 0.000 0.277 97 R C -1.129 174.970 176.300 -0.333 0.000 1.074 97 R CA 0.273 56.187 56.100 -0.311 0.000 1.076 97 R CB 0.542 30.683 30.300 -0.266 0.000 0.993 97 R HN 0.708 nan 8.270 nan 0.000 0.459 98 I N 3.466 123.864 120.570 -0.287 0.000 2.841 98 I HA 0.333 4.501 4.170 -0.003 0.000 0.298 98 I C -1.557 174.549 176.117 -0.018 0.000 1.304 98 I CA -0.915 60.292 61.300 -0.154 0.000 1.019 98 I CB 1.776 39.707 38.000 -0.115 0.000 1.282 98 I HN 0.520 nan 8.210 nan 0.000 0.432 99 M N 5.369 125.038 119.600 0.115 0.000 2.436 99 M HA 0.218 4.696 4.480 -0.003 0.000 0.331 99 M C -1.086 175.340 176.300 0.210 0.000 1.135 99 M CA -0.659 54.763 55.300 0.204 0.000 0.987 99 M CB 1.239 34.031 32.600 0.319 0.000 1.687 99 M HN 0.696 nan 8.290 nan 0.000 0.445 100 W N 3.513 124.839 121.300 0.043 0.000 2.549 100 W HA 0.260 4.918 4.660 -0.003 0.000 0.343 100 W C 0.993 177.546 176.519 0.056 0.000 1.278 100 W CA 2.483 59.852 57.345 0.040 0.000 1.277 100 W CB -0.101 29.374 29.460 0.025 0.000 1.249 100 W HN 0.975 nan 8.180 nan 0.000 0.572 101 G N 3.293 111.890 108.800 -0.340 0.000 2.213 101 G HA2 -0.091 3.867 3.960 -0.003 0.000 0.236 101 G HA3 -0.091 3.867 3.960 -0.003 0.000 0.236 101 G C 0.256 175.121 174.900 -0.058 0.000 0.991 101 G CA -0.138 44.730 45.100 -0.387 0.000 0.629 101 G HN 1.339 nan 8.290 nan 0.000 0.517 102 A N 1.560 124.395 122.820 0.026 0.000 2.371 102 A HA 0.693 5.011 4.320 -0.003 0.000 0.257 102 A C -1.729 175.903 177.584 0.079 0.000 1.089 102 A CA -0.879 51.203 52.037 0.075 0.000 0.794 102 A CB 0.423 19.467 19.000 0.074 0.000 1.029 102 A HN 0.222 nan 8.150 nan 0.000 0.488 103 P HA 0.168 nan 4.420 nan 0.000 0.270 103 P C 0.288 177.564 177.300 -0.041 0.000 1.242 103 P CA 0.152 63.231 63.100 -0.035 0.000 0.768 103 P CB 0.364 31.822 31.700 -0.402 0.000 0.820 104 V N 3.447 123.370 119.914 0.016 0.000 2.872 104 V HA 0.254 4.372 4.120 -0.003 0.000 0.307 104 V C -2.017 174.054 176.094 -0.037 0.000 1.072 104 V CA -1.253 61.037 62.300 -0.016 0.000 1.148 104 V CB -0.588 31.254 31.823 0.032 0.000 0.954 104 V HN 0.438 nan 8.190 nan 0.000 0.490 105 P HA 0.242 nan 4.420 nan 0.000 0.279 105 P C -0.331 177.005 177.300 0.060 0.000 1.252 105 P CA -0.400 62.663 63.100 -0.063 0.000 0.811 105 P CB 0.655 32.200 31.700 -0.258 0.000 1.035 106 E N 0.743 121.010 120.200 0.113 0.000 2.502 106 E HA 0.079 4.427 4.350 -0.003 0.000 0.261 106 E C 1.311 178.062 176.600 0.252 0.000 0.974 106 E CA 1.580 58.071 56.400 0.150 0.000 0.936 106 E CB -0.243 29.535 29.700 0.129 0.000 0.926 106 E HN 0.812 nan 8.360 nan 0.000 0.459 107 G N 3.193 112.110 108.800 0.195 0.000 2.148 107 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.254 107 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.254 107 G C 0.490 175.561 174.900 0.284 0.000 0.981 107 G CA 0.248 45.467 45.100 0.199 0.000 0.670 107 G HN 0.666 nan 8.290 nan 0.000 0.528 108 C N 0.332 119.814 119.300 0.303 0.000 2.576 108 C HA 0.662 5.120 4.460 -0.003 0.000 0.401 108 C C 1.701 176.795 174.990 0.173 0.000 1.314 108 C CA 0.294 59.500 59.018 0.312 0.000 1.855 108 C CB 0.371 28.218 27.740 0.179 0.000 2.537 108 C HN 0.555 nan 8.230 nan 0.000 0.578 109 E N 2.674 122.963 120.200 0.148 0.000 2.307 109 E HA 0.363 4.711 4.350 -0.003 0.000 0.195 109 E C 0.497 177.139 176.600 0.069 0.000 0.975 109 E CA 0.772 57.220 56.400 0.079 0.000 0.878 109 E CB 0.507 30.229 29.700 0.037 0.000 0.845 109 E HN 0.861 nan 8.360 nan 0.000 0.488 110 A N -0.336 122.534 122.820 0.084 0.000 2.608 110 A HA 0.574 4.892 4.320 -0.003 0.000 0.292 110 A C -1.512 176.129 177.584 0.094 0.000 1.066 110 A CA -0.674 51.406 52.037 0.072 0.000 0.676 110 A CB 1.404 20.430 19.000 0.044 0.000 1.277 110 A HN -0.049 nan 8.150 nan 0.000 0.413 111 V N 0.589 120.563 119.914 0.100 0.000 2.581 111 V HA 0.641 4.759 4.120 -0.003 0.000 0.303 111 V C -0.579 175.610 176.094 0.159 0.000 1.041 111 V CA -0.512 61.865 62.300 0.129 0.000 0.907 111 V CB 1.769 33.659 31.823 0.111 0.000 0.994 111 V HN 0.755 nan 8.190 nan 0.000 0.442 112 V N 5.626 125.685 119.914 0.241 0.000 2.444 112 V HA 0.385 4.503 4.120 -0.003 0.000 0.294 112 V C 0.231 176.498 176.094 0.289 0.000 1.022 112 V CA -0.660 61.812 62.300 0.288 0.000 0.850 112 V CB 1.770 33.862 31.823 0.448 0.000 0.992 112 V HN 0.982 nan 8.190 nan 0.000 0.426 113 M N 3.691 123.410 119.600 0.197 0.000 2.260 113 M HA 0.156 4.634 4.480 -0.003 0.000 0.348 113 M C 1.080 177.494 176.300 0.189 0.000 1.342 113 M CA 0.420 55.812 55.300 0.153 0.000 1.040 113 M CB 0.377 33.038 32.600 0.101 0.000 1.810 113 M HN 0.800 nan 8.290 nan 0.000 0.453 114 Q N 2.551 122.456 119.800 0.175 0.000 2.376 114 Q HA -0.202 4.136 4.340 -0.003 0.000 0.211 114 Q C 0.511 176.594 176.000 0.138 0.000 0.986 114 Q CA 2.273 58.220 55.803 0.240 0.000 0.886 114 Q CB 0.044 28.859 28.738 0.129 0.000 0.927 114 Q HN 0.957 nan 8.270 nan 0.000 0.457 115 E N 0.103 120.355 120.200 0.088 0.000 2.427 115 E HA -0.046 4.302 4.350 -0.003 0.000 0.196 115 E C 0.631 177.254 176.600 0.039 0.000 1.028 115 E CA 0.573 57.002 56.400 0.049 0.000 0.864 115 E CB 0.136 29.857 29.700 0.035 0.000 0.813 115 E HN 0.416 nan 8.360 nan 0.000 0.514 116 Q N 0.479 120.314 119.800 0.059 0.000 2.225 116 Q HA 0.153 4.491 4.340 -0.003 0.000 0.259 116 Q C -0.370 175.628 176.000 -0.003 0.000 0.872 116 Q CA 0.048 55.881 55.803 0.050 0.000 1.042 116 Q CB 0.613 29.408 28.738 0.095 0.000 1.142 116 Q HN 0.165 nan 8.270 nan 0.000 0.463 117 T N -2.885 111.620 114.554 -0.083 0.000 2.952 117 T HA 0.491 4.839 4.350 -0.003 0.000 0.305 117 T C -1.083 173.490 174.700 -0.210 0.000 1.064 117 T CA -0.834 61.095 62.100 -0.286 0.000 1.008 117 T CB 2.532 71.039 68.868 -0.603 0.000 1.078 117 T HN -0.100 nan 8.240 nan 0.000 0.459 118 E N 1.954 122.020 120.200 -0.224 0.000 2.155 118 E HA 0.463 4.811 4.350 -0.003 0.000 0.264 118 E C -0.791 175.707 176.600 -0.170 0.000 0.886 118 E CA -0.521 55.794 56.400 -0.143 0.000 0.752 118 E CB 1.418 31.064 29.700 -0.089 0.000 1.133 118 E HN 0.569 nan 8.360 nan 0.000 0.414 119 Q N 2.899 122.620 119.800 -0.132 0.000 2.255 119 Q HA 0.120 4.458 4.340 -0.003 0.000 0.280 119 Q C -0.210 175.742 176.000 -0.081 0.000 1.068 119 Q CA 0.865 56.599 55.803 -0.115 0.000 0.911 119 Q CB 0.464 29.167 28.738 -0.058 0.000 1.157 119 Q HN 0.579 nan 8.270 nan 0.000 0.380 120 M N 3.838 123.389 119.600 -0.081 0.000 3.157 120 M HA 0.061 4.539 4.480 -0.003 0.000 0.213 120 M C -0.593 175.687 176.300 -0.034 0.000 1.177 120 M CA -0.229 55.040 55.300 -0.052 0.000 1.109 120 M CB 0.376 32.945 32.600 -0.052 0.000 1.262 120 M HN 0.775 nan 8.290 nan 0.000 0.570 121 D N 2.014 122.399 120.400 -0.026 0.000 2.948 121 D HA -0.272 4.366 4.640 -0.003 0.000 0.209 121 D C -0.107 176.188 176.300 -0.010 0.000 1.239 121 D CA 1.574 55.566 54.000 -0.014 0.000 0.604 121 D CB -1.290 39.504 40.800 -0.009 0.000 0.987 121 D HN 0.930 nan 8.370 nan 0.000 0.394 122 N N -2.712 115.981 118.700 -0.012 0.000 2.463 122 N HA 0.057 4.795 4.740 -0.003 0.000 0.243 122 N C 0.431 175.938 175.510 -0.005 0.000 1.465 122 N CA -0.295 52.752 53.050 -0.004 0.000 2.304 122 N CB -0.386 38.099 38.487 -0.003 0.000 1.407 122 N HN 0.569 nan 8.380 nan 0.000 0.935 123 G N 0.289 109.077 108.800 -0.020 0.000 2.315 123 G HA2 0.389 4.347 3.960 -0.003 0.000 0.294 123 G HA3 0.389 4.347 3.960 -0.003 0.000 0.294 123 G C -2.213 172.635 174.900 -0.086 0.000 1.300 123 G CA -0.256 44.829 45.100 -0.026 0.000 0.843 123 G HN 0.167 nan 8.290 nan 0.000 0.527 124 V N 0.810 120.645 119.914 -0.131 0.000 2.448 124 V HA 0.642 4.760 4.120 -0.003 0.000 0.295 124 V C 0.319 176.205 176.094 -0.347 0.000 1.025 124 V CA -0.749 61.341 62.300 -0.350 0.000 0.859 124 V CB 1.566 32.987 31.823 -0.670 0.000 0.988 124 V HN 0.729 nan 8.190 nan 0.000 0.431 125 R N 3.262 123.550 120.500 -0.352 0.000 2.312 125 R HA 0.508 4.846 4.340 -0.003 0.000 0.311 125 R C -1.515 174.573 176.300 -0.353 0.000 1.004 125 R CA -0.496 55.487 56.100 -0.193 0.000 0.902 125 R CB 0.873 31.112 30.300 -0.102 0.000 1.073 125 R HN 0.545 nan 8.270 nan 0.000 0.457 126 F N 3.250 123.157 119.950 -0.071 0.000 2.313 126 F HA 0.197 4.722 4.527 -0.003 0.000 0.369 126 F C 1.488 177.274 175.800 -0.024 0.000 1.109 126 F CA -0.353 57.617 58.000 -0.051 0.000 1.132 126 F CB 1.415 40.393 39.000 -0.037 0.000 1.291 126 F HN 0.564 nan 8.300 nan 0.000 0.496 127 T N 1.807 116.403 114.554 0.070 0.000 2.356 127 T HA -0.161 4.187 4.350 -0.003 0.000 0.212 127 T C 1.286 176.033 174.700 0.077 0.000 1.539 127 T CA 0.984 63.116 62.100 0.053 0.000 1.399 127 T CB -0.324 68.558 68.868 0.024 0.000 0.889 127 T HN 0.617 nan 8.240 nan 0.000 0.378 128 A N 1.442 124.304 122.820 0.070 0.000 2.577 128 A HA 0.230 4.548 4.320 -0.003 0.000 0.233 128 A C 0.468 178.096 177.584 0.074 0.000 1.076 128 A CA -0.224 51.851 52.037 0.063 0.000 0.767 128 A CB -0.299 18.736 19.000 0.059 0.000 1.017 128 A HN 0.648 nan 8.150 nan 0.000 0.511 129 E N 0.100 120.330 120.200 0.051 0.000 2.409 129 E HA 0.398 4.746 4.350 -0.003 0.000 0.257 129 E C -0.716 175.909 176.600 0.042 0.000 1.150 129 E CA -0.168 56.256 56.400 0.040 0.000 0.942 129 E CB 0.667 30.382 29.700 0.024 0.000 0.979 129 E HN 0.394 nan 8.360 nan 0.000 0.447 130 V N 3.069 122.996 119.914 0.022 0.000 2.513 130 V HA 0.458 4.575 4.120 -0.003 0.000 0.299 130 V C -0.300 175.801 176.094 0.011 0.000 1.035 130 V CA -0.805 61.507 62.300 0.019 0.000 0.889 130 V CB 1.546 33.361 31.823 -0.014 0.000 0.988 130 V HN 0.610 nan 8.190 nan 0.000 0.440 131 R N 2.927 123.440 120.500 0.021 0.000 2.239 131 R HA 0.425 4.763 4.340 -0.003 0.000 0.332 131 R C 0.338 176.650 176.300 0.020 0.000 0.988 131 R CA -0.093 56.017 56.100 0.018 0.000 0.859 131 R CB 1.054 31.368 30.300 0.023 0.000 1.148 131 R HN 0.990 nan 8.270 nan 0.000 0.482 132 S N 2.493 118.201 115.700 0.013 0.000 2.593 132 S HA 0.086 4.554 4.470 -0.003 0.000 0.303 132 S C 1.260 175.877 174.600 0.027 0.000 1.267 132 S CA 0.605 58.816 58.200 0.017 0.000 1.047 132 S CB 0.505 63.712 63.200 0.010 0.000 0.777 132 S HN 1.075 nan 8.310 nan 0.000 0.498 133 G N 2.024 110.846 108.800 0.036 0.000 2.234 133 G HA2 -0.338 3.620 3.960 -0.003 0.000 0.260 133 G HA3 -0.338 3.620 3.960 -0.003 0.000 0.260 133 G C 0.073 175.001 174.900 0.047 0.000 0.987 133 G CA 0.424 45.548 45.100 0.041 0.000 0.625 133 G HN 1.513 nan 8.290 nan 0.000 0.532 134 Q N 0.227 120.056 119.800 0.049 0.000 2.300 134 Q HA 0.436 4.774 4.340 -0.003 0.000 0.280 134 Q C 0.784 176.827 176.000 0.072 0.000 1.033 134 Q CA 0.382 56.219 55.803 0.057 0.000 0.903 134 Q CB 0.283 29.055 28.738 0.057 0.000 1.195 134 Q HN 0.371 nan 8.270 nan 0.000 0.386 135 N N 1.165 119.911 118.700 0.076 0.000 2.741 135 N HA -0.171 4.567 4.740 -0.003 0.000 0.251 135 N C -1.136 174.428 175.510 0.091 0.000 1.112 135 N CA 1.159 54.265 53.050 0.094 0.000 0.750 135 N CB -1.492 37.061 38.487 0.109 0.000 1.119 135 N HN 0.690 nan 8.380 nan 0.000 0.561 136 I N 0.856 121.470 120.570 0.073 0.000 2.362 136 I HA 0.234 4.402 4.170 -0.003 0.000 0.289 136 I C 0.507 176.654 176.117 0.051 0.000 0.994 136 I CA -0.547 60.792 61.300 0.065 0.000 1.158 136 I CB 1.381 39.418 38.000 0.061 0.000 1.315 136 I HN -0.226 nan 8.210 nan 0.000 0.451 137 R N 6.473 126.997 120.500 0.041 0.000 2.198 137 R HA 0.346 4.684 4.340 -0.003 0.000 0.339 137 R C -0.410 175.893 176.300 0.006 0.000 1.020 137 R CA -0.717 55.392 56.100 0.015 0.000 0.864 137 R CB 0.847 31.139 30.300 -0.012 0.000 1.105 137 R HN 0.508 nan 8.270 nan 0.000 0.463 138 R N 3.058 123.561 120.500 0.006 0.000 2.490 138 R HA 0.116 4.454 4.340 -0.003 0.000 0.280 138 R C 0.268 176.553 176.300 -0.025 0.000 1.077 138 R CA -0.622 55.482 56.100 0.007 0.000 1.065 138 R CB 0.593 30.900 30.300 0.012 0.000 1.003 138 R HN 0.592 nan 8.270 nan 0.000 0.470 139 R N 0.473 120.962 120.500 -0.019 0.000 2.697 139 R HA 0.010 4.348 4.340 -0.003 0.000 0.265 139 R C 0.652 176.920 176.300 -0.052 0.000 1.009 139 R CA 1.122 57.187 56.100 -0.059 0.000 1.099 139 R CB 0.036 30.329 30.300 -0.012 0.000 0.965 139 R HN 0.877 nan 8.270 nan 0.000 0.428 140 G N 1.814 110.569 108.800 -0.076 0.000 2.196 140 G HA2 -0.410 3.548 3.960 -0.003 0.000 0.268 140 G HA3 -0.410 3.548 3.960 -0.003 0.000 0.268 140 G C 0.703 175.571 174.900 -0.054 0.000 0.975 140 G CA 0.770 45.834 45.100 -0.059 0.000 0.648 140 G HN 0.883 nan 8.290 nan 0.000 0.538 141 E N 0.011 120.178 120.200 -0.055 0.000 2.051 141 E HA -0.142 4.206 4.350 -0.003 0.000 0.192 141 E C 1.866 178.437 176.600 -0.049 0.000 0.991 141 E CA 1.425 57.800 56.400 -0.042 0.000 0.799 141 E CB -0.055 29.623 29.700 -0.036 0.000 0.748 141 E HN 0.539 nan 8.360 nan 0.000 0.449 142 D N 0.011 120.371 120.400 -0.066 0.000 2.084 142 D HA 0.054 4.692 4.640 -0.003 0.000 0.199 142 D C 0.643 176.900 176.300 -0.072 0.000 0.981 142 D CA 1.049 55.010 54.000 -0.064 0.000 0.841 142 D CB 0.394 41.150 40.800 -0.073 0.000 0.997 142 D HN 0.173 nan 8.370 nan 0.000 0.454 143 I N 0.273 120.795 120.570 -0.080 0.000 2.569 143 I HA 0.125 4.293 4.170 -0.003 0.000 0.290 143 I C -0.803 175.271 176.117 -0.071 0.000 1.088 143 I CA -0.601 60.650 61.300 -0.082 0.000 1.047 143 I CB 2.393 40.337 38.000 -0.092 0.000 1.237 143 I HN -0.183 nan 8.210 nan 0.000 0.421 144 S N 3.959 119.622 115.700 -0.062 0.000 2.489 144 S HA 0.776 5.244 4.470 -0.003 0.000 0.291 144 S C 0.083 174.656 174.600 -0.044 0.000 1.151 144 S CA -0.864 57.307 58.200 -0.049 0.000 1.082 144 S CB 1.857 65.034 63.200 -0.039 0.000 1.019 144 S HN 0.739 nan 8.310 nan 0.000 0.492 145 A N 1.687 124.486 122.820 -0.035 0.000 2.520 145 A HA 0.516 4.834 4.320 -0.003 0.000 0.235 145 A C 1.577 179.146 177.584 -0.024 0.000 1.065 145 A CA 0.255 52.276 52.037 -0.027 0.000 0.764 145 A CB -1.185 17.803 19.000 -0.019 0.000 1.002 145 A HN 2.350 nan 8.150 nan 0.000 0.502 146 G N 0.026 108.812 108.800 -0.022 0.000 2.205 146 G HA2 0.125 4.083 3.960 -0.003 0.000 0.261 146 G HA3 0.125 4.083 3.960 -0.003 0.000 0.261 146 G C 0.613 175.498 174.900 -0.025 0.000 0.980 146 G CA 0.687 45.776 45.100 -0.019 0.000 0.632 146 G HN 2.227 nan 8.290 nan 0.000 0.533 147 A N -0.187 122.612 122.820 -0.036 0.000 2.322 147 A HA 0.725 5.043 4.320 -0.003 0.000 0.269 147 A C 0.485 178.035 177.584 -0.056 0.000 1.094 147 A CA 0.145 52.154 52.037 -0.047 0.000 0.807 147 A CB 1.262 20.227 19.000 -0.059 0.000 1.047 147 A HN 1.082 nan 8.150 nan 0.000 0.487 148 V N 3.182 123.060 119.914 -0.059 0.000 2.408 148 V HA 0.110 4.228 4.120 -0.003 0.000 0.267 148 V C 1.062 177.078 176.094 -0.130 0.000 1.047 148 V CA 0.074 62.336 62.300 -0.064 0.000 0.937 148 V CB 0.954 32.753 31.823 -0.040 0.000 0.999 148 V HN 0.735 nan 8.190 nan 0.000 0.472 149 V N 5.334 125.139 119.914 -0.182 0.000 2.426 149 V HA 0.191 4.309 4.120 -0.003 0.000 0.242 149 V C 0.290 175.975 176.094 -0.683 0.000 1.036 149 V CA 1.144 63.181 62.300 -0.438 0.000 1.044 149 V CB -0.142 31.418 31.823 -0.438 0.000 0.688 149 V HN 0.659 nan 8.190 nan 0.000 0.462 150 F N 1.271 121.212 119.950 -0.015 0.000 2.539 150 F HA 0.540 5.065 4.527 -0.003 0.000 0.318 150 F C -2.588 173.202 175.800 -0.017 0.000 1.135 150 F CA -2.445 55.545 58.000 -0.018 0.000 0.915 150 F CB 2.151 41.138 39.000 -0.022 0.000 1.176 150 F HN -0.074 nan 8.300 nan 0.000 0.440 151 P HA 0.240 nan 4.420 nan 0.000 0.276 151 P C -0.731 176.613 177.300 0.073 0.000 1.244 151 P CA -0.338 62.813 63.100 0.085 0.000 0.801 151 P CB 1.004 32.738 31.700 0.056 0.000 1.006 152 A N 0.967 123.813 122.820 0.044 0.000 2.483 152 A HA 0.437 4.755 4.320 -0.003 0.000 0.238 152 A C 1.429 179.023 177.584 0.017 0.000 1.070 152 A CA 0.813 52.866 52.037 0.027 0.000 0.770 152 A CB -1.453 17.559 19.000 0.020 0.000 1.008 152 A HN 0.893 nan 8.150 nan 0.000 0.497 153 G N 1.158 109.960 108.800 0.004 0.000 2.176 153 G HA2 -0.189 3.769 3.960 -0.003 0.000 0.232 153 G HA3 -0.189 3.769 3.960 -0.003 0.000 0.232 153 G C 0.403 175.292 174.900 -0.018 0.000 0.986 153 G CA 0.378 45.474 45.100 -0.006 0.000 0.643 153 G HN 1.195 nan 8.290 nan 0.000 0.522 154 T N 1.220 115.763 114.554 -0.019 0.000 2.814 154 T HA 0.437 4.785 4.350 -0.003 0.000 0.297 154 T C 0.598 175.236 174.700 -0.103 0.000 0.956 154 T CA -0.136 61.935 62.100 -0.047 0.000 1.123 154 T CB 1.318 70.165 68.868 -0.035 0.000 0.902 154 T HN 0.479 nan 8.240 nan 0.000 0.528 155 R N 3.895 124.323 120.500 -0.120 0.000 2.288 155 R HA 0.247 4.585 4.340 -0.003 0.000 0.330 155 R C -0.320 175.826 176.300 -0.256 0.000 1.069 155 R CA -0.454 55.549 56.100 -0.161 0.000 0.941 155 R CB -0.062 30.155 30.300 -0.138 0.000 0.998 155 R HN 0.591 nan 8.270 nan 0.000 0.452 156 L N 4.078 125.128 121.223 -0.288 0.000 2.410 156 L HA 0.194 4.532 4.340 -0.003 0.000 0.273 156 L C 0.555 177.087 176.870 -0.564 0.000 1.152 156 L CA 0.392 55.008 54.840 -0.373 0.000 0.855 156 L CB 1.213 43.105 42.059 -0.278 0.000 1.129 156 L HN 0.739 nan 8.230 nan 0.000 0.463 157 T N -0.181 114.050 114.554 -0.538 0.000 2.696 157 T HA 0.160 4.508 4.350 -0.003 0.000 0.291 157 T C 0.974 175.519 174.700 -0.258 0.000 1.095 157 T CA -0.433 61.264 62.100 -0.672 0.000 1.026 157 T CB 1.777 70.376 68.868 -0.449 0.000 1.390 157 T HN 0.607 nan 8.240 nan 0.000 0.513 158 T N 1.461 116.016 114.554 0.002 0.000 2.929 158 T HA -0.030 4.318 4.350 -0.003 0.000 0.271 158 T C 1.928 176.638 174.700 0.016 0.000 1.085 158 T CA 1.221 63.377 62.100 0.094 0.000 1.125 158 T CB -0.327 68.641 68.868 0.167 0.000 0.874 158 T HN 0.595 nan 8.240 nan 0.000 0.494 159 A N 1.179 123.980 122.820 -0.033 0.000 1.968 159 A HA 0.008 4.326 4.320 -0.003 0.000 0.217 159 A C 2.142 179.697 177.584 -0.048 0.000 1.169 159 A CA 1.132 53.158 52.037 -0.018 0.000 0.638 159 A CB -0.142 18.847 19.000 -0.017 0.000 0.812 159 A HN 0.428 nan 8.150 nan 0.000 0.446 160 E N -0.400 119.670 120.200 -0.217 0.000 2.175 160 E HA 0.190 4.538 4.350 -0.003 0.000 0.195 160 E C 1.791 178.250 176.600 -0.234 0.000 0.934 160 E CA 0.221 56.351 56.400 -0.450 0.000 0.870 160 E CB -0.298 28.763 29.700 -1.065 0.000 0.838 160 E HN 0.461 nan 8.360 nan 0.000 0.474 161 L N 1.253 122.369 121.223 -0.178 0.000 2.043 161 L HA -0.147 4.191 4.340 -0.003 0.000 0.212 161 L C -0.744 176.128 176.870 0.004 0.000 1.075 161 L CA 1.398 56.194 54.840 -0.074 0.000 0.752 161 L CB -1.242 40.788 42.059 -0.048 0.000 0.891 161 L HN 0.177 nan 8.230 nan 0.000 0.432 162 P HA -0.070 nan 4.420 nan 0.000 0.223 162 P C 1.831 179.173 177.300 0.069 0.000 1.151 162 P CA 0.788 63.916 63.100 0.046 0.000 0.787 162 P CB 0.135 31.863 31.700 0.047 0.000 0.788 163 V N -0.252 119.730 119.914 0.112 0.000 2.379 163 V HA -0.184 3.934 4.120 -0.003 0.000 0.245 163 V C 2.307 178.496 176.094 0.157 0.000 1.044 163 V CA 1.436 63.834 62.300 0.163 0.000 1.036 163 V CB -0.951 31.065 31.823 0.323 0.000 0.664 163 V HN 0.049 nan 8.190 nan 0.000 0.453 164 I N 0.669 121.345 120.570 0.177 0.000 2.286 164 I HA -0.232 3.936 4.170 -0.003 0.000 0.248 164 I C 2.646 178.807 176.117 0.073 0.000 1.115 164 I CA 1.499 62.881 61.300 0.136 0.000 1.392 164 I CB -0.576 37.485 38.000 0.103 0.000 1.065 164 I HN 0.294 nan 8.210 nan 0.000 0.418 165 A N 0.747 123.600 122.820 0.056 0.000 1.930 165 A HA -0.200 4.118 4.320 -0.003 0.000 0.217 165 A C 2.446 180.050 177.584 0.034 0.000 1.175 165 A CA 1.892 53.953 52.037 0.039 0.000 0.627 165 A CB -0.750 18.270 19.000 0.034 0.000 0.815 165 A HN 0.522 nan 8.150 nan 0.000 0.443 166 S N -0.395 115.328 115.700 0.038 0.000 2.507 166 S HA 0.038 4.506 4.470 -0.003 0.000 0.235 166 S C 1.329 175.937 174.600 0.014 0.000 0.988 166 S CA 1.092 59.306 58.200 0.024 0.000 0.944 166 S CB -0.496 62.718 63.200 0.023 0.000 0.762 166 S HN 0.448 nan 8.310 nan 0.000 0.526 167 L N 0.597 121.833 121.223 0.023 0.000 2.607 167 L HA 0.388 4.726 4.340 -0.003 0.000 0.228 167 L C 1.829 178.707 176.870 0.013 0.000 1.123 167 L CA 0.271 55.118 54.840 0.013 0.000 0.890 167 L CB -0.403 41.666 42.059 0.018 0.000 1.103 167 L HN 0.548 nan 8.230 nan 0.000 0.468 168 G N 0.930 109.740 108.800 0.017 0.000 2.179 168 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.260 168 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.260 168 G C 0.262 175.173 174.900 0.018 0.000 0.977 168 G CA -0.196 44.913 45.100 0.016 0.000 0.641 168 G HN 0.296 nan 8.290 nan 0.000 0.533 169 I N 1.280 121.865 120.570 0.024 0.000 2.396 169 I HA 0.455 4.623 4.170 -0.003 0.000 0.289 169 I C 1.557 177.688 176.117 0.024 0.000 1.056 169 I CA 0.226 61.541 61.300 0.025 0.000 1.365 169 I CB 1.444 39.464 38.000 0.033 0.000 1.407 169 I HN 0.148 nan 8.210 nan 0.000 0.509 170 A N 6.078 128.910 122.820 0.020 0.000 2.132 170 A HA 0.097 4.415 4.320 -0.003 0.000 0.213 170 A C 0.579 178.173 177.584 0.017 0.000 1.154 170 A CA 0.538 52.586 52.037 0.018 0.000 0.753 170 A CB -0.043 18.967 19.000 0.015 0.000 0.826 170 A HN 0.814 nan 8.150 nan 0.000 0.469 171 E N -1.108 119.102 120.200 0.017 0.000 2.412 171 E HA 0.563 4.911 4.350 -0.003 0.000 0.279 171 E C -1.149 175.460 176.600 0.015 0.000 0.984 171 E CA -0.895 55.513 56.400 0.014 0.000 0.788 171 E CB 1.771 31.479 29.700 0.013 0.000 1.277 171 E HN 0.349 nan 8.360 nan 0.000 0.455 172 V N -2.708 117.212 119.914 0.011 0.000 3.049 172 V HA 0.686 4.804 4.120 -0.003 0.000 0.309 172 V C -2.873 173.225 176.094 0.007 0.000 1.148 172 V CA -2.537 59.770 62.300 0.011 0.000 0.990 172 V CB 1.715 33.543 31.823 0.008 0.000 1.039 172 V HN 0.673 nan 8.190 nan 0.000 0.430 173 P HA 0.456 nan 4.420 nan 0.000 0.281 173 P C -0.593 176.709 177.300 0.003 0.000 1.252 173 P CA -0.074 63.031 63.100 0.008 0.000 0.778 173 P CB 1.536 33.242 31.700 0.010 0.000 0.895 174 V N 1.622 121.536 119.914 0.001 0.000 2.962 174 V HA 0.483 4.601 4.120 -0.003 0.000 0.313 174 V C 0.061 176.156 176.094 0.002 0.000 1.099 174 V CA -1.317 60.981 62.300 -0.004 0.000 0.971 174 V CB 1.893 33.710 31.823 -0.010 0.000 1.028 174 V HN 0.229 nan 8.190 nan 0.000 0.430 175 I N 2.935 123.505 120.570 0.000 0.000 2.752 175 I HA 0.217 4.385 4.170 -0.003 0.000 0.287 175 I C 1.205 177.327 176.117 0.009 0.000 1.188 175 I CA 0.326 61.630 61.300 0.006 0.000 1.427 175 I CB 0.395 38.399 38.000 0.006 0.000 1.365 175 I HN 1.017 nan 8.210 nan 0.000 0.585 176 R N 5.491 125.999 120.500 0.014 0.000 2.784 176 R HA 0.180 4.518 4.340 -0.003 0.000 0.266 176 R C -0.286 176.025 176.300 0.017 0.000 1.044 176 R CA -0.481 55.629 56.100 0.016 0.000 1.151 176 R CB 0.420 30.731 30.300 0.019 0.000 1.037 176 R HN 0.412 nan 8.270 nan 0.000 0.478 177 K N 1.106 121.517 120.400 0.018 0.000 2.355 177 K HA 0.090 4.408 4.320 -0.003 0.000 0.270 177 K C -0.349 176.266 176.600 0.025 0.000 1.003 177 K CA -0.504 55.795 56.287 0.020 0.000 0.957 177 K CB 0.896 33.408 32.500 0.020 0.000 0.939 177 K HN 0.287 nan 8.250 nan 0.000 0.482 178 V N 3.671 123.600 119.914 0.026 0.000 2.572 178 V HA 0.048 4.166 4.120 -0.003 0.000 0.291 178 V C 0.563 176.678 176.094 0.035 0.000 1.039 178 V CA -0.098 62.224 62.300 0.037 0.000 1.055 178 V CB 0.454 32.300 31.823 0.038 0.000 0.969 178 V HN 0.637 nan 8.190 nan 0.000 0.482 179 R N 3.565 124.090 120.500 0.042 0.000 2.265 179 R HA 0.661 4.999 4.340 -0.003 0.000 0.319 179 R C -1.278 175.048 176.300 0.043 0.000 1.006 179 R CA -0.548 55.573 56.100 0.034 0.000 0.880 179 R CB 1.631 31.951 30.300 0.034 0.000 1.077 179 R HN 0.502 nan 8.270 nan 0.000 0.454 180 V N 2.144 122.073 119.914 0.024 0.000 2.531 180 V HA 0.476 4.594 4.120 -0.003 0.000 0.301 180 V C -0.157 175.941 176.094 0.006 0.000 1.034 180 V CA -0.961 61.356 62.300 0.028 0.000 0.865 180 V CB 1.749 33.588 31.823 0.027 0.000 0.995 180 V HN 0.918 nan 8.190 nan 0.000 0.424 181 A N 5.595 128.434 122.820 0.031 0.000 2.310 181 A HA 0.882 5.200 4.320 -0.003 0.000 0.299 181 A C -0.792 176.791 177.584 -0.002 0.000 1.147 181 A CA -0.459 51.603 52.037 0.042 0.000 0.818 181 A CB 0.955 20.017 19.000 0.103 0.000 1.096 181 A HN 0.817 nan 8.150 nan 0.000 0.495 182 L N 3.164 124.392 121.223 0.009 0.000 2.464 182 L HA 0.835 5.173 4.340 -0.003 0.000 0.266 182 L C -1.702 175.208 176.870 0.067 0.000 0.965 182 L CA -0.630 54.173 54.840 -0.062 0.000 0.833 182 L CB 1.818 43.832 42.059 -0.075 0.000 1.296 182 L HN 0.951 nan 8.230 nan 0.000 0.405 183 F N 1.345 121.274 119.950 -0.035 0.000 2.741 183 F HA 0.766 5.291 4.527 -0.003 0.000 0.311 183 F C -1.057 174.733 175.800 -0.016 0.000 1.149 183 F CA -0.727 57.251 58.000 -0.037 0.000 0.930 183 F CB 1.318 40.269 39.000 -0.082 0.000 1.312 183 F HN 0.397 nan 8.300 nan 0.000 0.450 184 S N -0.027 115.871 115.700 0.329 0.000 2.704 184 S HA 0.902 5.370 4.470 -0.003 0.000 0.296 184 S C -1.110 173.643 174.600 0.256 0.000 1.138 184 S CA -0.470 57.864 58.200 0.222 0.000 0.875 184 S CB 1.903 65.172 63.200 0.115 0.000 1.151 184 S HN 1.253 nan 8.310 nan 0.000 0.500 185 T N -1.046 113.621 114.554 0.188 0.000 2.889 185 T HA 0.730 5.078 4.350 -0.003 0.000 0.315 185 T C -0.792 173.978 174.700 0.117 0.000 1.291 185 T CA 0.355 62.547 62.100 0.153 0.000 1.028 185 T CB 1.108 70.084 68.868 0.179 0.000 1.235 185 T HN 2.287 nan 8.240 nan 0.000 0.491 186 G N 2.770 111.632 108.800 0.105 0.000 2.380 186 G HA2 0.141 4.099 3.960 -0.003 0.000 0.250 186 G HA3 0.141 4.099 3.960 -0.003 0.000 0.250 186 G C -0.108 174.831 174.900 0.064 0.000 1.578 186 G CA -0.456 44.696 45.100 0.088 0.000 0.974 186 G HN 0.633 nan 8.290 nan 0.000 0.680 187 D N 1.018 121.454 120.400 0.059 0.000 2.384 187 D HA -0.039 4.599 4.640 -0.003 0.000 0.222 187 D C 2.081 178.393 176.300 0.020 0.000 0.976 187 D CA 1.389 55.411 54.000 0.037 0.000 0.915 187 D CB 0.346 41.166 40.800 0.032 0.000 0.896 187 D HN 0.840 nan 8.370 nan 0.000 0.523 188 E N -0.123 120.090 120.200 0.021 0.000 2.358 188 E HA 0.020 4.368 4.350 -0.003 0.000 0.195 188 E C 0.579 177.170 176.600 -0.015 0.000 1.010 188 E CA 0.248 56.649 56.400 0.001 0.000 0.856 188 E CB -0.012 29.695 29.700 0.011 0.000 0.795 188 E HN 0.207 nan 8.360 nan 0.000 0.504 189 L N 1.745 122.972 121.223 0.007 0.000 2.305 189 L HA 0.322 4.660 4.340 -0.003 0.000 0.281 189 L C -0.053 176.821 176.870 0.007 0.000 1.085 189 L CA -0.580 54.266 54.840 0.010 0.000 0.813 189 L CB 0.855 42.938 42.059 0.041 0.000 1.157 189 L HN 0.023 nan 8.230 nan 0.000 0.436 190 Q N 2.174 121.973 119.800 -0.000 0.000 2.399 190 Q HA 0.604 4.942 4.340 -0.003 0.000 0.276 190 Q C -1.172 174.939 176.000 0.185 0.000 1.098 190 Q CA -0.523 55.305 55.803 0.041 0.000 0.827 190 Q CB 2.275 30.965 28.738 -0.080 0.000 1.386 190 Q HN 0.464 nan 8.270 nan 0.000 0.443 191 L N 3.917 125.247 121.223 0.179 0.000 2.292 191 L HA 0.477 4.815 4.340 -0.003 0.000 0.284 191 L C -2.062 174.918 176.870 0.183 0.000 1.065 191 L CA -2.046 52.886 54.840 0.154 0.000 0.806 191 L CB 1.113 43.216 42.059 0.074 0.000 1.175 191 L HN 0.498 nan 8.230 nan 0.000 0.431 192 P HA 0.004 nan 4.420 nan 0.000 0.261 192 P C 0.770 177.987 177.300 -0.138 0.000 1.173 192 P CA 0.876 63.793 63.100 -0.304 0.000 0.760 192 P CB 0.706 32.216 31.700 -0.316 0.000 0.783 193 G N 1.757 110.475 108.800 -0.137 0.000 2.278 193 G HA2 -0.187 3.771 3.960 -0.003 0.000 0.210 193 G HA3 -0.187 3.771 3.960 -0.003 0.000 0.210 193 G C 0.094 175.024 174.900 0.051 0.000 1.000 193 G CA -0.410 44.667 45.100 -0.038 0.000 0.635 193 G HN 0.551 nan 8.290 nan 0.000 0.495 194 Q N 1.526 121.409 119.800 0.139 0.000 2.221 194 Q HA 0.521 4.859 4.340 -0.003 0.000 0.242 194 Q C -2.274 173.853 176.000 0.211 0.000 0.940 194 Q CA -1.719 54.173 55.803 0.149 0.000 0.896 194 Q CB 1.816 30.634 28.738 0.134 0.000 1.226 194 Q HN 0.289 nan 8.270 nan 0.000 0.463 195 P HA 0.115 nan 4.420 nan 0.000 0.278 195 P C -1.148 176.156 177.300 0.006 0.000 1.238 195 P CA -0.443 62.709 63.100 0.085 0.000 0.794 195 P CB 0.692 32.419 31.700 0.045 0.000 0.955 196 L N 2.476 123.668 121.223 -0.051 0.000 2.276 196 L HA 0.571 4.909 4.340 -0.003 0.000 0.286 196 L C 0.805 177.621 176.870 -0.089 0.000 1.061 196 L CA 0.351 55.085 54.840 -0.177 0.000 0.807 196 L CB 0.503 42.399 42.059 -0.271 0.000 1.177 196 L HN 0.592 nan 8.230 nan 0.000 0.429 197 G N 2.485 111.234 108.800 -0.084 0.000 2.702 197 G HA2 0.462 4.420 3.960 -0.003 0.000 0.295 197 G HA3 0.462 4.420 3.960 -0.003 0.000 0.295 197 G C -1.202 173.672 174.900 -0.044 0.000 1.446 197 G CA -0.390 44.681 45.100 -0.048 0.000 0.983 197 G HN 0.578 nan 8.290 nan 0.000 0.520 198 D N 1.359 121.739 120.400 -0.034 0.000 4.201 198 D HA -0.134 4.504 4.640 -0.003 0.000 0.238 198 D C 1.481 177.764 176.300 -0.029 0.000 1.070 198 D CA 2.092 56.077 54.000 -0.025 0.000 1.208 198 D CB -0.723 40.067 40.800 -0.016 0.000 0.825 198 D HN 1.730 nan 8.370 nan 0.000 0.404 199 G N 2.263 111.046 108.800 -0.028 0.000 2.244 199 G HA2 -0.374 3.584 3.960 -0.003 0.000 0.274 199 G HA3 -0.374 3.584 3.960 -0.003 0.000 0.274 199 G C 0.481 175.356 174.900 -0.041 0.000 1.002 199 G CA 1.214 46.298 45.100 -0.026 0.000 0.740 199 G HN 0.612 nan 8.290 nan 0.000 0.516 200 Q N -0.684 119.074 119.800 -0.070 0.000 2.256 200 Q HA 0.714 5.052 4.340 -0.003 0.000 0.232 200 Q C 0.785 176.692 176.000 -0.156 0.000 0.965 200 Q CA -0.058 55.684 55.803 -0.102 0.000 0.908 200 Q CB 1.151 29.814 28.738 -0.125 0.000 1.209 200 Q HN 0.777 nan 8.270 nan 0.000 0.489 201 I N -2.826 117.643 120.570 -0.168 0.000 2.994 201 I HA 0.420 4.588 4.170 -0.003 0.000 0.306 201 I C -1.381 174.607 176.117 -0.215 0.000 1.195 201 I CA -1.289 59.898 61.300 -0.189 0.000 1.001 201 I CB 1.495 39.463 38.000 -0.053 0.000 1.244 201 I HN 0.489 nan 8.210 nan 0.000 0.437 202 Y N 1.302 121.600 120.300 -0.004 0.000 2.335 202 Y HA 0.215 4.763 4.550 -0.003 0.000 0.331 202 Y C 0.383 176.272 175.900 -0.020 0.000 1.094 202 Y CA -0.066 58.027 58.100 -0.012 0.000 1.253 202 Y CB 0.616 39.063 38.460 -0.021 0.000 1.203 202 Y HN 0.544 nan 8.280 nan 0.000 0.508 203 D N 1.698 122.188 120.400 0.150 0.000 2.450 203 D HA -0.006 4.632 4.640 -0.003 0.000 0.247 203 D C 0.783 177.105 176.300 0.037 0.000 1.162 203 D CA 0.567 54.611 54.000 0.072 0.000 0.879 203 D CB 0.956 41.795 40.800 0.065 0.000 1.163 203 D HN 0.744 nan 8.370 nan 0.000 0.472 204 T N 0.170 114.717 114.554 -0.012 0.000 2.980 204 T HA 0.042 4.390 4.350 -0.003 0.000 0.252 204 T C 1.306 175.935 174.700 -0.117 0.000 0.962 204 T CA -0.321 61.729 62.100 -0.084 0.000 0.932 204 T CB -0.126 68.656 68.868 -0.144 0.000 1.188 204 T HN 0.142 nan 8.240 nan 0.000 0.500 205 N N 1.920 120.573 118.700 -0.078 0.000 2.120 205 N HA 0.021 4.759 4.740 -0.003 0.000 0.188 205 N C 1.902 177.367 175.510 -0.075 0.000 1.024 205 N CA 1.168 54.175 53.050 -0.071 0.000 0.852 205 N CB -0.405 38.073 38.487 -0.015 0.000 1.003 205 N HN 0.443 nan 8.380 nan 0.000 0.424 206 R N 0.570 121.045 120.500 -0.041 0.000 2.081 206 R HA -0.004 4.334 4.340 -0.003 0.000 0.235 206 R C 2.128 178.414 176.300 -0.024 0.000 1.131 206 R CA 0.727 56.813 56.100 -0.024 0.000 0.960 206 R CB -0.313 29.998 30.300 0.019 0.000 0.856 206 R HN 0.212 nan 8.270 nan 0.000 0.436 207 L N 0.130 121.323 121.223 -0.051 0.000 2.056 207 L HA -0.127 4.211 4.340 -0.003 0.000 0.207 207 L C 2.257 179.070 176.870 -0.095 0.000 1.078 207 L CA 1.786 56.583 54.840 -0.073 0.000 0.749 207 L CB -0.670 41.328 42.059 -0.103 0.000 0.901 207 L HN 0.322 nan 8.230 nan 0.000 0.433 208 A N -0.444 122.294 122.820 -0.136 0.000 1.883 208 A HA -0.188 4.130 4.320 -0.003 0.000 0.217 208 A C 2.197 179.627 177.584 -0.256 0.000 1.186 208 A CA 2.076 54.009 52.037 -0.174 0.000 0.624 208 A CB -0.938 17.964 19.000 -0.163 0.000 0.822 208 A HN 0.330 nan 8.150 nan 0.000 0.444 209 V N -0.307 119.432 119.914 -0.291 0.000 2.343 209 V HA -0.258 3.860 4.120 -0.003 0.000 0.247 209 V C 2.550 178.459 176.094 -0.308 0.000 1.051 209 V CA 2.181 64.184 62.300 -0.495 0.000 1.036 209 V CB -1.048 30.549 31.823 -0.376 0.000 0.654 209 V HN 0.756 nan 8.190 nan 0.000 0.451 210 H N 0.369 119.306 119.070 -0.221 0.000 2.290 210 H HA -0.134 4.420 4.556 -0.003 0.000 0.298 210 H C 2.223 177.466 175.328 -0.141 0.000 1.087 210 H CA 2.179 58.143 56.048 -0.140 0.000 1.291 210 H CB -0.287 29.417 29.762 -0.096 0.000 1.369 210 H HN 0.332 nan 8.280 nan 0.000 0.492 211 L N -0.231 121.020 121.223 0.047 0.000 2.012 211 L HA -0.249 4.089 4.340 -0.003 0.000 0.210 211 L C 3.076 179.901 176.870 -0.075 0.000 1.073 211 L CA 1.559 56.384 54.840 -0.026 0.000 0.748 211 L CB -0.431 41.567 42.059 -0.100 0.000 0.891 211 L HN 0.269 nan 8.230 nan 0.000 0.431 212 M N -0.798 118.695 119.600 -0.178 0.000 2.117 212 M HA -0.211 4.267 4.480 -0.003 0.000 0.262 212 M C 2.332 178.611 176.300 -0.035 0.000 1.065 212 M CA 1.697 56.897 55.300 -0.166 0.000 1.114 212 M CB -0.347 32.050 32.600 -0.339 0.000 1.361 212 M HN 0.237 nan 8.290 nan 0.000 0.408 213 L N -0.317 120.868 121.223 -0.062 0.000 2.046 213 L HA -0.217 4.121 4.340 -0.003 0.000 0.208 213 L C 2.408 179.285 176.870 0.012 0.000 1.077 213 L CA 1.374 56.228 54.840 0.023 0.000 0.747 213 L CB -0.620 41.409 42.059 -0.050 0.000 0.896 213 L HN 0.351 nan 8.230 nan 0.000 0.432 214 E N -0.539 119.666 120.200 0.009 0.000 2.072 214 E HA -0.212 4.136 4.350 -0.003 0.000 0.191 214 E C 2.256 178.871 176.600 0.025 0.000 0.985 214 E CA 0.805 57.224 56.400 0.031 0.000 0.801 214 E CB 0.096 29.844 29.700 0.081 0.000 0.750 214 E HN 0.409 nan 8.360 nan 0.000 0.452 215 Q N 0.093 119.900 119.800 0.012 0.000 2.224 215 Q HA -0.057 4.281 4.340 -0.003 0.000 0.203 215 Q C 2.042 178.059 176.000 0.029 0.000 0.970 215 Q CA 0.733 56.542 55.803 0.010 0.000 0.865 215 Q CB -0.023 28.705 28.738 -0.017 0.000 0.922 215 Q HN 0.351 nan 8.270 nan 0.000 0.445 216 L N -0.886 120.357 121.223 0.034 0.000 2.599 216 L HA 0.083 4.421 4.340 -0.003 0.000 0.230 216 L C 1.053 177.944 176.870 0.035 0.000 1.141 216 L CA 0.530 55.392 54.840 0.037 0.000 0.877 216 L CB -0.175 41.914 42.059 0.050 0.000 1.009 216 L HN 0.341 nan 8.230 nan 0.000 0.447 217 G N -0.932 107.891 108.800 0.038 0.000 2.141 217 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.242 217 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.242 217 G C 0.256 175.173 174.900 0.027 0.000 0.982 217 G CA -0.052 45.070 45.100 0.038 0.000 0.662 217 G HN 0.324 nan 8.290 nan 0.000 0.527 218 C N 0.353 119.667 119.300 0.023 0.000 2.520 218 C HA 0.602 5.060 4.460 -0.003 0.000 0.376 218 C C 0.906 175.897 174.990 0.002 0.000 1.268 218 C CA -0.550 58.477 59.018 0.015 0.000 2.414 218 C CB 1.227 28.979 27.740 0.019 0.000 2.521 218 C HN 0.522 nan 8.230 nan 0.000 0.618 219 E N 0.769 120.969 120.200 0.000 0.000 2.167 219 E HA 0.408 4.756 4.350 -0.003 0.000 0.284 219 E C -1.134 175.444 176.600 -0.037 0.000 1.016 219 E CA -0.133 56.263 56.400 -0.007 0.000 0.817 219 E CB 0.945 30.649 29.700 0.006 0.000 1.080 219 E HN 0.469 nan 8.360 nan 0.000 0.397 220 V N 5.846 125.711 119.914 -0.081 0.000 2.427 220 V HA 0.320 4.437 4.120 -0.003 0.000 0.286 220 V C -0.028 176.001 176.094 -0.109 0.000 1.034 220 V CA -0.602 61.595 62.300 -0.172 0.000 0.893 220 V CB 1.278 32.813 31.823 -0.481 0.000 0.982 220 V HN 0.560 nan 8.190 nan 0.000 0.452 221 I N 4.228 124.755 120.570 -0.073 0.000 2.428 221 I HA 0.308 4.476 4.170 -0.003 0.000 0.279 221 I C 0.235 176.354 176.117 0.003 0.000 1.040 221 I CA 0.197 61.490 61.300 -0.011 0.000 1.171 221 I CB 0.778 38.789 38.000 0.018 0.000 1.312 221 I HN 0.603 nan 8.210 nan 0.000 0.470 222 N N 5.483 124.199 118.700 0.026 0.000 2.469 222 N HA 0.170 4.908 4.740 -0.003 0.000 0.239 222 N C 0.538 176.104 175.510 0.092 0.000 1.053 222 N CA -0.448 52.649 53.050 0.079 0.000 0.937 222 N CB 0.647 39.246 38.487 0.187 0.000 1.163 222 N HN 0.455 nan 8.380 nan 0.000 0.509 223 L N 3.153 124.445 121.223 0.115 0.000 2.627 223 L HA 0.281 4.618 4.340 -0.003 0.000 0.233 223 L C 1.551 178.464 176.870 0.071 0.000 1.144 223 L CA 0.599 55.487 54.840 0.081 0.000 0.892 223 L CB -1.654 40.446 42.059 0.068 0.000 1.039 223 L HN 0.815 nan 8.230 nan 0.000 0.442 224 G N 0.185 109.045 108.800 0.100 0.000 2.601 224 G HA2 -0.316 3.642 3.960 -0.003 0.000 0.252 224 G HA3 -0.316 3.642 3.960 -0.003 0.000 0.252 224 G C 0.091 175.050 174.900 0.097 0.000 1.294 224 G CA -0.183 44.967 45.100 0.082 0.000 0.912 224 G HN 0.148 nan 8.290 nan 0.000 0.574 225 I N 1.510 122.122 120.570 0.069 0.000 2.337 225 I HA 0.246 4.414 4.170 -0.003 0.000 0.291 225 I C 0.558 176.697 176.117 0.037 0.000 1.046 225 I CA -0.665 60.678 61.300 0.072 0.000 1.324 225 I CB 0.821 38.858 38.000 0.061 0.000 1.409 225 I HN 0.253 nan 8.210 nan 0.000 0.494 226 I N 6.746 127.333 120.570 0.028 0.000 2.474 226 I HA 0.205 4.373 4.170 -0.003 0.000 0.287 226 I C 0.783 176.913 176.117 0.021 0.000 1.048 226 I CA -0.421 60.857 61.300 -0.036 0.000 1.383 226 I CB 0.503 38.411 38.000 -0.153 0.000 1.412 226 I HN 0.651 nan 8.210 nan 0.000 0.531 227 R N 3.463 123.971 120.500 0.013 0.000 2.694 227 R HA 0.151 4.489 4.340 -0.003 0.000 0.268 227 R C -0.520 175.821 176.300 0.068 0.000 1.061 227 R CA -0.650 55.470 56.100 0.034 0.000 1.133 227 R CB 0.477 30.786 30.300 0.015 0.000 1.020 227 R HN 0.391 nan 8.270 nan 0.000 0.475 228 D N 1.566 122.014 120.400 0.081 0.000 2.541 228 D HA 0.048 4.686 4.640 -0.003 0.000 0.231 228 D C -1.022 175.260 176.300 -0.030 0.000 1.163 228 D CA 0.834 54.913 54.000 0.133 0.000 1.077 228 D CB -0.210 40.662 40.800 0.121 0.000 1.110 228 D HN 0.506 nan 8.370 nan 0.000 0.499 229 D N 0.375 120.750 120.400 -0.043 0.000 2.977 229 D HA 0.218 4.856 4.640 -0.003 0.000 0.220 229 D C -2.081 174.132 176.300 -0.145 0.000 1.267 229 D CA -1.545 52.344 54.000 -0.185 0.000 0.884 229 D CB 1.922 42.687 40.800 -0.059 0.000 1.667 229 D HN -0.168 nan 8.370 nan 0.000 0.536 230 P HA -0.199 nan 4.420 nan 0.000 0.216 230 P C 0.906 178.105 177.300 -0.168 0.000 1.150 230 P CA 1.228 64.213 63.100 -0.192 0.000 0.843 230 P CB 0.073 31.542 31.700 -0.385 0.000 0.787 231 H N -0.890 118.176 119.070 -0.006 0.000 2.363 231 H HA 0.103 4.658 4.556 -0.002 0.000 0.301 231 H C 2.007 177.335 175.328 0.001 0.000 1.074 231 H CA 1.500 57.547 56.048 -0.002 0.000 1.354 231 H CB -0.932 28.817 29.762 -0.021 0.000 1.397 231 H HN 0.067 nan 8.280 nan 0.000 0.516 232 A N 1.679 124.555 122.820 0.094 0.000 1.902 232 A HA -0.109 4.209 4.320 -0.003 0.000 0.217 232 A C 2.628 180.205 177.584 -0.012 0.000 1.181 232 A CA 0.977 53.030 52.037 0.027 0.000 0.623 232 A CB -0.863 18.142 19.000 0.009 0.000 0.818 232 A HN 0.301 nan 8.150 nan 0.000 0.443 233 L N -0.790 120.457 121.223 0.041 0.000 2.017 233 L HA -0.186 4.152 4.340 -0.003 0.000 0.208 233 L C 2.847 179.788 176.870 0.119 0.000 1.073 233 L CA 1.708 56.580 54.840 0.054 0.000 0.745 233 L CB -0.440 41.757 42.059 0.231 0.000 0.894 233 L HN 0.433 nan 8.230 nan 0.000 0.432 234 R N -0.465 120.119 120.500 0.141 0.000 2.096 234 R HA -0.158 4.180 4.340 -0.003 0.000 0.235 234 R C 2.246 178.612 176.300 0.109 0.000 1.127 234 R CA 1.304 57.494 56.100 0.151 0.000 0.968 234 R CB -0.420 29.935 30.300 0.091 0.000 0.861 234 R HN 0.417 nan 8.270 nan 0.000 0.440 235 A N 1.258 124.106 122.820 0.047 0.000 1.930 235 A HA -0.067 4.251 4.320 -0.003 0.000 0.217 235 A C 2.363 179.916 177.584 -0.052 0.000 1.175 235 A CA 1.544 53.585 52.037 0.007 0.000 0.627 235 A CB -0.500 18.497 19.000 -0.005 0.000 0.815 235 A HN 0.387 nan 8.150 nan 0.000 0.443 236 A N -1.167 121.550 122.820 -0.171 0.000 1.898 236 A HA 0.020 4.338 4.320 -0.003 0.000 0.216 236 A C 2.000 179.422 177.584 -0.270 0.000 1.181 236 A CA 1.352 53.157 52.037 -0.388 0.000 0.620 236 A CB -0.731 17.718 19.000 -0.920 0.000 0.819 236 A HN 0.471 nan 8.150 nan 0.000 0.442 237 F N -0.063 119.822 119.950 -0.109 0.000 2.102 237 F HA -0.146 4.379 4.527 -0.004 0.000 0.298 237 F C 2.160 177.979 175.800 0.033 0.000 1.105 237 F CA 1.535 59.570 58.000 0.058 0.000 1.239 237 F CB -0.281 38.737 39.000 0.030 0.000 0.991 237 F HN 0.118 nan 8.300 nan 0.000 0.474 238 I N 0.223 120.903 120.570 0.183 0.000 2.163 238 I HA -0.324 3.844 4.170 -0.003 0.000 0.243 238 I C 2.462 178.621 176.117 0.069 0.000 1.085 238 I CA 2.028 63.387 61.300 0.099 0.000 1.347 238 I CB -0.527 37.507 38.000 0.057 0.000 1.044 238 I HN 0.198 nan 8.210 nan 0.000 0.408 239 E N 1.569 121.795 120.200 0.044 0.000 2.107 239 E HA -0.178 4.170 4.350 -0.003 0.000 0.191 239 E C 2.161 178.792 176.600 0.053 0.000 0.982 239 E CA 1.252 57.670 56.400 0.030 0.000 0.809 239 E CB -0.178 29.523 29.700 0.001 0.000 0.756 239 E HN 0.406 nan 8.360 nan 0.000 0.459 240 A N 1.278 124.147 122.820 0.082 0.000 1.877 240 A HA -0.240 4.078 4.320 -0.003 0.000 0.216 240 A C 2.050 179.710 177.584 0.126 0.000 1.186 240 A CA 1.855 53.968 52.037 0.128 0.000 0.620 240 A CB -0.996 18.138 19.000 0.223 0.000 0.822 240 A HN 0.529 nan 8.150 nan 0.000 0.443 241 D N -0.208 120.280 120.400 0.147 0.000 2.218 241 D HA -0.147 4.491 4.640 -0.003 0.000 0.204 241 D C 1.982 178.315 176.300 0.054 0.000 0.976 241 D CA 1.775 55.839 54.000 0.107 0.000 0.853 241 D CB -0.008 40.854 40.800 0.103 0.000 0.939 241 D HN 0.482 nan 8.370 nan 0.000 0.481 242 S N -1.512 114.217 115.700 0.049 0.000 2.527 242 S HA -0.002 4.466 4.470 -0.003 0.000 0.222 242 S C 1.584 176.200 174.600 0.027 0.000 0.985 242 S CA 0.167 58.384 58.200 0.027 0.000 0.921 242 S CB 0.147 63.361 63.200 0.023 0.000 0.772 242 S HN 0.174 nan 8.310 nan 0.000 0.529 243 Q N 0.293 120.116 119.800 0.038 0.000 2.245 243 Q HA 0.547 4.885 4.340 -0.003 0.000 0.236 243 Q C 0.433 176.457 176.000 0.039 0.000 0.842 243 Q CA 0.502 56.325 55.803 0.034 0.000 0.945 243 Q CB 1.116 29.874 28.738 0.034 0.000 1.122 243 Q HN 0.653 nan 8.270 nan 0.000 0.506 244 A N 0.155 123.005 122.820 0.051 0.000 2.435 244 A HA 0.513 4.831 4.320 -0.003 0.000 0.296 244 A C -0.121 177.502 177.584 0.064 0.000 1.147 244 A CA -0.484 51.588 52.037 0.058 0.000 0.775 244 A CB 1.056 20.098 19.000 0.069 0.000 1.340 244 A HN -0.079 nan 8.150 nan 0.000 0.427 245 D N -0.764 119.686 120.400 0.082 0.000 2.355 245 D HA 0.194 4.832 4.640 -0.003 0.000 0.206 245 D C -0.198 176.207 176.300 0.175 0.000 1.010 245 D CA 1.158 55.225 54.000 0.112 0.000 0.875 245 D CB 0.755 41.631 40.800 0.127 0.000 0.966 245 D HN 0.179 nan 8.370 nan 0.000 0.512 246 V N 1.273 121.280 119.914 0.155 0.000 2.808 246 V HA 0.295 4.413 4.120 -0.003 0.000 0.308 246 V C -0.368 175.804 176.094 0.130 0.000 1.099 246 V CA -0.876 61.534 62.300 0.184 0.000 0.920 246 V CB 2.986 34.911 31.823 0.170 0.000 1.014 246 V HN -0.279 nan 8.190 nan 0.000 0.425 247 V N 5.559 125.562 119.914 0.150 0.000 2.448 247 V HA 0.573 4.691 4.120 -0.003 0.000 0.295 247 V C -0.403 175.675 176.094 -0.026 0.000 1.025 247 V CA -0.357 62.023 62.300 0.133 0.000 0.859 247 V CB 1.743 33.767 31.823 0.334 0.000 0.988 247 V HN 0.695 nan 8.190 nan 0.000 0.431 248 I N 3.365 123.841 120.570 -0.157 0.000 2.406 248 I HA 0.402 4.570 4.170 -0.003 0.000 0.290 248 I C 0.104 175.961 176.117 -0.433 0.000 0.999 248 I CA -0.322 60.811 61.300 -0.278 0.000 1.124 248 I CB 2.149 40.086 38.000 -0.104 0.000 1.289 248 I HN 0.587 nan 8.210 nan 0.000 0.441 249 S N 3.512 118.971 115.700 -0.402 0.000 2.422 249 S HA 0.170 4.638 4.470 -0.003 0.000 0.298 249 S C 0.887 175.397 174.600 -0.149 0.000 1.118 249 S CA -0.370 57.624 58.200 -0.342 0.000 1.083 249 S CB 1.219 64.436 63.200 0.028 0.000 0.971 249 S HN 0.662 nan 8.310 nan 0.000 0.478 250 S N 3.675 119.300 115.700 -0.125 0.000 2.489 250 S HA 0.384 4.852 4.470 -0.003 0.000 0.228 250 S C 0.754 175.369 174.600 0.025 0.000 0.995 250 S CA 0.737 58.916 58.200 -0.035 0.000 0.934 250 S CB -0.432 62.747 63.200 -0.034 0.000 0.771 250 S HN 1.241 nan 8.310 nan 0.000 0.522 251 G N -2.388 106.439 108.800 0.046 0.000 2.368 251 G HA2 0.452 4.410 3.960 -0.003 0.000 0.301 251 G HA3 0.452 4.410 3.960 -0.003 0.000 0.301 251 G C 0.262 175.223 174.900 0.100 0.000 1.640 251 G CA -0.202 44.947 45.100 0.080 0.000 0.941 251 G HN 0.820 nan 8.290 nan 0.000 0.695 252 G N -1.383 107.478 108.800 0.103 0.000 2.339 252 G HA2 -0.012 3.946 3.960 -0.003 0.000 0.209 252 G HA3 -0.012 3.946 3.960 -0.003 0.000 0.209 252 G C 0.503 175.459 174.900 0.093 0.000 1.015 252 G CA 0.644 45.804 45.100 0.100 0.000 0.635 252 G HN 1.801 nan 8.290 nan 0.000 0.499 253 V N 2.267 122.269 119.914 0.146 0.000 2.607 253 V HA 0.621 4.739 4.120 -0.003 0.000 0.289 253 V C 1.326 177.505 176.094 0.141 0.000 1.053 253 V CA 0.309 62.707 62.300 0.163 0.000 0.996 253 V CB 1.549 33.572 31.823 0.333 0.000 0.995 253 V HN 0.836 nan 8.190 nan 0.000 0.476 254 S N 3.291 119.032 115.700 0.069 0.000 2.558 254 S HA 0.078 4.546 4.470 -0.003 0.000 0.293 254 S C 0.540 175.261 174.600 0.202 0.000 1.292 254 S CA 0.058 58.288 58.200 0.050 0.000 1.063 254 S CB 0.734 63.876 63.200 -0.096 0.000 0.831 254 S HN 1.101 nan 8.310 nan 0.000 0.499 255 V N 2.250 122.267 119.914 0.172 0.000 3.085 255 V HA 0.709 4.827 4.120 -0.003 0.000 0.345 255 V C 1.126 177.375 176.094 0.258 0.000 1.397 255 V CA 0.316 62.807 62.300 0.318 0.000 1.165 255 V CB -0.489 31.480 31.823 0.243 0.000 1.153 255 V HN 1.134 nan 8.190 nan 0.000 0.495 256 G N 0.286 109.028 108.800 -0.097 0.000 3.967 256 G HA2 -0.103 3.854 3.960 -0.003 0.000 0.210 256 G HA3 -0.103 3.854 3.960 -0.003 0.000 0.210 256 G C 0.034 174.773 174.900 -0.268 0.000 1.127 256 G CA -0.061 44.890 45.100 -0.248 0.000 0.887 256 G HN 0.457 nan 8.290 nan 0.000 0.367 257 E N 1.489 121.608 120.200 -0.134 0.000 2.442 257 E HA 0.511 4.859 4.350 -0.003 0.000 0.262 257 E C 0.704 177.213 176.600 -0.152 0.000 1.004 257 E CA 0.596 56.934 56.400 -0.103 0.000 0.928 257 E CB 0.935 30.609 29.700 -0.043 0.000 0.937 257 E HN 0.693 nan 8.360 nan 0.000 0.446 258 A N 4.588 127.338 122.820 -0.116 0.000 2.454 258 A HA 0.394 4.712 4.320 -0.003 0.000 0.260 258 A C -0.466 177.073 177.584 -0.075 0.000 1.106 258 A CA 0.094 52.064 52.037 -0.111 0.000 0.780 258 A CB 0.071 19.026 19.000 -0.075 0.000 1.044 258 A HN 0.679 nan 8.150 nan 0.000 0.498 259 D N 0.766 121.115 120.400 -0.085 0.000 2.769 259 D HA -0.004 4.634 4.640 -0.003 0.000 0.309 259 D C 0.145 176.416 176.300 -0.048 0.000 1.315 259 D CA -0.049 53.924 54.000 -0.044 0.000 0.780 259 D CB -0.415 40.344 40.800 -0.069 0.000 1.312 259 D HN 0.478 nan 8.370 nan 0.000 0.437 260 Y N -0.682 119.602 120.300 -0.027 0.000 2.333 260 Y HA -0.056 4.492 4.550 -0.003 0.000 0.290 260 Y C 2.124 178.011 175.900 -0.023 0.000 1.144 260 Y CA 2.200 60.281 58.100 -0.033 0.000 1.228 260 Y CB -1.125 37.314 38.460 -0.036 0.000 0.985 260 Y HN 0.467 nan 8.280 nan 0.000 0.542 261 T N -1.625 112.478 114.554 -0.751 0.000 2.857 261 T HA -0.169 4.179 4.350 -0.003 0.000 0.266 261 T C 1.796 176.380 174.700 -0.194 0.000 1.048 261 T CA 1.427 63.239 62.100 -0.479 0.000 1.139 261 T CB -0.409 68.205 68.868 -0.422 0.000 0.874 261 T HN 0.447 nan 8.240 nan 0.000 0.455 262 K N 0.880 121.173 120.400 -0.177 0.000 2.057 262 K HA -0.090 4.228 4.320 -0.003 0.000 0.207 262 K C 2.387 178.932 176.600 -0.093 0.000 1.049 262 K CA 1.721 57.927 56.287 -0.135 0.000 0.931 262 K CB -0.552 31.805 32.500 -0.238 0.000 0.714 262 K HN 0.364 nan 8.250 nan 0.000 0.440 263 T N 1.064 115.569 114.554 -0.082 0.000 2.746 263 T HA -0.107 4.241 4.350 -0.003 0.000 0.267 263 T C 1.774 176.430 174.700 -0.072 0.000 1.039 263 T CA 1.507 63.575 62.100 -0.053 0.000 1.142 263 T CB -0.157 68.702 68.868 -0.015 0.000 0.866 263 T HN 0.165 nan 8.240 nan 0.000 0.444 264 I N 0.469 120.992 120.570 -0.078 0.000 2.286 264 I HA -0.108 4.060 4.170 -0.003 0.000 0.248 264 I C 2.308 178.263 176.117 -0.270 0.000 1.115 264 I CA 0.960 62.188 61.300 -0.120 0.000 1.392 264 I CB -0.257 37.713 38.000 -0.050 0.000 1.065 264 I HN 0.199 nan 8.210 nan 0.000 0.418 265 L N 0.241 121.281 121.223 -0.304 0.000 1.994 265 L HA -0.256 4.082 4.340 -0.003 0.000 0.208 265 L C 2.471 179.159 176.870 -0.303 0.000 1.071 265 L CA 1.753 56.325 54.840 -0.447 0.000 0.745 265 L CB -0.432 41.464 42.059 -0.272 0.000 0.892 265 L HN 0.266 nan 8.230 nan 0.000 0.431 266 E N -0.651 119.469 120.200 -0.133 0.000 2.204 266 E HA -0.277 4.071 4.350 -0.003 0.000 0.195 266 E C 1.919 178.450 176.600 -0.115 0.000 0.990 266 E CA 1.149 57.498 56.400 -0.084 0.000 0.821 266 E CB 0.064 29.759 29.700 -0.008 0.000 0.750 266 E HN 0.486 nan 8.360 nan 0.000 0.477 267 E N 0.615 120.736 120.200 -0.133 0.000 2.230 267 E HA -0.099 4.249 4.350 -0.003 0.000 0.192 267 E C 1.784 178.296 176.600 -0.148 0.000 0.987 267 E CA 0.371 56.702 56.400 -0.115 0.000 0.841 267 E CB 0.175 29.820 29.700 -0.091 0.000 0.783 267 E HN 0.245 nan 8.360 nan 0.000 0.481 268 L N 0.104 121.192 121.223 -0.226 0.000 2.529 268 L HA 0.316 4.654 4.340 -0.003 0.000 0.223 268 L C 1.036 177.757 176.870 -0.249 0.000 1.113 268 L CA 0.376 55.068 54.840 -0.248 0.000 0.861 268 L CB 0.590 42.429 42.059 -0.367 0.000 1.012 268 L HN 0.187 nan 8.230 nan 0.000 0.461 269 G N -1.057 107.590 108.800 -0.257 0.000 2.488 269 G HA2 0.174 4.132 3.960 -0.003 0.000 0.301 269 G HA3 0.174 4.132 3.960 -0.003 0.000 0.301 269 G C -1.422 173.349 174.900 -0.214 0.000 1.339 269 G CA -0.567 44.390 45.100 -0.238 0.000 0.803 269 G HN -0.201 nan 8.290 nan 0.000 0.482 270 E N 0.311 120.390 120.200 -0.202 0.000 1.986 270 E HA 0.382 4.730 4.350 -0.003 0.000 0.264 270 E C -0.690 175.768 176.600 -0.236 0.000 1.023 270 E CA -0.147 56.152 56.400 -0.168 0.000 0.834 270 E CB 1.056 30.687 29.700 -0.116 0.000 1.111 270 E HN 0.227 nan 8.360 nan 0.000 0.417 271 I N 1.894 122.288 120.570 -0.294 0.000 2.441 271 I HA 0.318 4.486 4.170 -0.003 0.000 0.295 271 I C 0.147 175.915 176.117 -0.582 0.000 0.994 271 I CA -0.552 60.458 61.300 -0.483 0.000 1.144 271 I CB 1.900 39.535 38.000 -0.608 0.000 1.314 271 I HN 0.278 nan 8.210 nan 0.000 0.445 272 A N 5.761 128.176 122.820 -0.675 0.000 2.312 272 A HA 0.794 5.112 4.320 -0.003 0.000 0.326 272 A C -1.087 175.952 177.584 -0.907 0.000 1.172 272 A CA -0.324 51.364 52.037 -0.582 0.000 0.821 272 A CB 0.295 19.036 19.000 -0.431 0.000 1.166 272 A HN 0.503 nan 8.150 nan 0.000 0.493 273 F N 2.504 122.362 119.950 -0.153 0.000 2.311 273 F HA 0.339 4.864 4.527 -0.004 0.000 0.371 273 F C -0.331 175.557 175.800 0.148 0.000 1.083 273 F CA -0.409 57.555 58.000 -0.060 0.000 1.113 273 F CB 0.794 39.795 39.000 0.003 0.000 1.349 273 F HN 0.535 nan 8.300 nan 0.000 0.470 274 W N 2.451 123.881 121.300 0.218 0.000 2.283 274 W HA 0.471 5.129 4.660 -0.003 0.000 0.341 274 W C -0.077 176.566 176.519 0.207 0.000 1.206 274 W CA -1.413 56.054 57.345 0.204 0.000 1.294 274 W CB 0.642 30.232 29.460 0.216 0.000 1.154 274 W HN 0.185 nan 8.180 nan 0.000 0.613 275 K N 2.623 123.264 120.400 0.401 0.000 2.621 275 K HA 0.256 4.574 4.320 -0.003 0.000 0.233 275 K C -0.907 175.804 176.600 0.185 0.000 0.972 275 K CA -0.887 55.554 56.287 0.257 0.000 0.988 275 K CB 1.074 33.688 32.500 0.190 0.000 1.187 275 K HN -0.018 nan 8.250 nan 0.000 0.471 276 L N 1.547 122.882 121.223 0.186 0.000 2.395 276 L HA 0.252 4.590 4.340 -0.003 0.000 0.269 276 L C 0.852 177.769 176.870 0.078 0.000 1.133 276 L CA -0.011 54.891 54.840 0.104 0.000 0.812 276 L CB 0.843 42.960 42.059 0.098 0.000 1.125 276 L HN 0.615 nan 8.230 nan 0.000 0.452 277 A N 5.776 128.623 122.820 0.045 0.000 3.091 277 A HA 0.501 4.819 4.320 -0.003 0.000 0.264 277 A C 0.089 177.707 177.584 0.057 0.000 1.673 277 A CA -0.197 51.865 52.037 0.042 0.000 1.362 277 A CB -1.239 17.771 19.000 0.016 0.000 1.137 277 A HN 0.618 nan 8.150 nan 0.000 0.617 278 I N -3.001 117.619 120.570 0.083 0.000 3.174 278 I HA 0.831 4.999 4.170 -0.003 0.000 0.313 278 I C -0.844 175.346 176.117 0.121 0.000 1.155 278 I CA -1.369 60.006 61.300 0.124 0.000 0.977 278 I CB 2.482 40.567 38.000 0.141 0.000 1.248 278 I HN 0.121 nan 8.210 nan 0.000 0.453 279 K N 3.328 123.824 120.400 0.160 0.000 2.561 279 K HA 0.530 4.848 4.320 -0.003 0.000 0.254 279 K C -3.032 173.672 176.600 0.173 0.000 0.942 279 K CA -1.303 55.064 56.287 0.134 0.000 0.818 279 K CB 2.694 35.249 32.500 0.093 0.000 1.306 279 K HN 0.433 nan 8.250 nan 0.000 0.435 280 P HA 0.322 nan 4.420 nan 0.000 0.275 280 P C 0.171 177.543 177.300 0.120 0.000 1.266 280 P CA 0.554 63.731 63.100 0.130 0.000 0.793 280 P CB 0.656 32.441 31.700 0.142 0.000 1.074 281 G N -0.543 108.332 108.800 0.124 0.000 2.627 281 G HA2 -0.035 3.923 3.960 -0.003 0.000 0.214 281 G HA3 -0.035 3.923 3.960 -0.003 0.000 0.214 281 G C -0.118 174.856 174.900 0.122 0.000 1.331 281 G CA 0.433 45.607 45.100 0.123 0.000 0.891 281 G HN 0.842 nan 8.290 nan 0.000 0.539 282 K N -2.287 118.196 120.400 0.137 0.000 1.984 282 K HA -0.024 4.294 4.320 -0.003 0.000 0.160 282 K C -2.573 174.153 176.600 0.211 0.000 2.589 282 K CA 0.714 57.091 56.287 0.150 0.000 1.234 282 K CB -0.718 31.862 32.500 0.133 0.000 2.858 282 K HN 0.591 nan 8.250 nan 0.000 0.360 283 P HA 0.372 nan 4.420 nan 0.000 0.277 283 P C -1.029 176.510 177.300 0.399 0.000 1.240 283 P CA 0.114 63.386 63.100 0.287 0.000 0.798 283 P CB 0.393 32.230 31.700 0.229 0.000 0.979 284 F N 0.658 120.735 119.950 0.211 0.000 2.652 284 F HA 0.543 5.068 4.527 -0.003 0.000 0.320 284 F C -1.800 174.052 175.800 0.087 0.000 1.115 284 F CA -0.765 57.331 58.000 0.159 0.000 1.053 284 F CB 0.881 39.994 39.000 0.188 0.000 1.297 284 F HN 0.447 nan 8.300 nan 0.000 0.471 285 A N 5.604 128.059 122.820 -0.608 0.000 2.304 285 A HA 0.824 5.142 4.320 -0.003 0.000 0.323 285 A C -2.020 174.968 177.584 -0.993 0.000 1.195 285 A CA -0.461 51.186 52.037 -0.650 0.000 0.826 285 A CB 0.726 19.620 19.000 -0.177 0.000 1.184 285 A HN 0.861 nan 8.150 nan 0.000 0.496 286 F N 1.669 120.979 119.950 -1.067 0.000 2.601 286 F HA 0.744 5.269 4.527 -0.003 0.000 0.309 286 F C 0.112 175.626 175.800 -0.478 0.000 1.089 286 F CA 0.531 58.051 58.000 -0.801 0.000 0.940 286 F CB 1.969 40.438 39.000 -0.885 0.000 1.273 286 F HN 1.179 nan 8.300 nan 0.000 0.450 287 G N 3.900 111.937 108.800 -1.271 0.000 2.315 287 G HA2 0.262 4.220 3.960 -0.003 0.000 0.294 287 G HA3 0.262 4.220 3.960 -0.003 0.000 0.294 287 G C -2.342 172.295 174.900 -0.437 0.000 1.300 287 G CA -1.084 43.558 45.100 -0.764 0.000 0.843 287 G HN 0.636 nan 8.290 nan 0.000 0.527 288 K N 0.397 120.606 120.400 -0.317 0.000 2.185 288 K HA 0.657 4.975 4.320 -0.003 0.000 0.269 288 K C -0.143 176.254 176.600 -0.338 0.000 0.987 288 K CA -0.502 55.513 56.287 -0.453 0.000 0.865 288 K CB 1.124 33.274 32.500 -0.584 0.000 1.090 288 K HN 0.409 nan 8.250 nan 0.000 0.450 289 L N 1.061 122.097 121.223 -0.312 0.000 2.578 289 L HA 0.243 4.581 4.340 -0.003 0.000 0.259 289 L C 1.832 178.563 176.870 -0.230 0.000 1.082 289 L CA -0.485 54.223 54.840 -0.220 0.000 0.843 289 L CB 1.037 43.033 42.059 -0.106 0.000 1.535 289 L HN 0.697 nan 8.230 nan 0.000 0.510 290 S N 0.131 115.736 115.700 -0.159 0.000 2.359 290 S HA -0.108 4.360 4.470 -0.003 0.000 0.224 290 S C 0.889 175.395 174.600 -0.157 0.000 1.035 290 S CA 1.421 59.536 58.200 -0.141 0.000 1.018 290 S CB -0.184 62.962 63.200 -0.090 0.000 0.876 290 S HN 0.614 nan 8.310 nan 0.000 0.448 291 N N 0.621 119.239 118.700 -0.136 0.000 2.365 291 N HA 0.192 4.930 4.740 -0.003 0.000 0.257 291 N C -0.704 174.716 175.510 -0.150 0.000 1.287 291 N CA 0.112 53.083 53.050 -0.132 0.000 0.882 291 N CB 1.138 39.586 38.487 -0.066 0.000 1.250 291 N HN 0.402 nan 8.380 nan 0.000 0.507 292 S N -0.939 114.623 115.700 -0.229 0.000 2.636 292 S HA 0.534 5.002 4.470 -0.003 0.000 0.268 292 S C -1.888 172.515 174.600 -0.328 0.000 1.159 292 S CA -0.948 57.135 58.200 -0.195 0.000 0.815 292 S CB 1.261 64.461 63.200 0.001 0.000 1.130 292 S HN 0.204 nan 8.310 nan 0.000 0.471 293 W N 0.833 122.147 121.300 0.023 0.000 2.496 293 W HA 0.705 5.364 4.660 -0.003 0.000 0.327 293 W C -0.571 175.959 176.519 0.020 0.000 1.086 293 W CA -0.570 56.757 57.345 -0.029 0.000 1.222 293 W CB 1.266 30.752 29.460 0.043 0.000 1.304 293 W HN 0.627 nan 8.180 nan 0.000 0.547 294 F N 3.160 123.124 119.950 0.023 0.000 2.469 294 F HA 0.652 5.177 4.527 -0.003 0.000 0.332 294 F C -0.823 174.945 175.800 -0.053 0.000 1.103 294 F CA -1.240 56.747 58.000 -0.022 0.000 0.979 294 F CB 0.781 39.726 39.000 -0.093 0.000 1.137 294 F HN 0.182 nan 8.300 nan 0.000 0.463 295 C N 4.474 123.144 119.300 -1.050 0.000 2.346 295 C HA 0.739 5.197 4.460 -0.003 0.000 0.326 295 C C 0.369 174.623 174.990 -1.228 0.000 1.224 295 C CA -0.876 57.663 59.018 -0.799 0.000 1.408 295 C CB 0.495 28.172 27.740 -0.106 0.000 2.089 295 C HN 1.069 nan 8.230 nan 0.000 0.456 296 G N 3.889 112.062 108.800 -1.046 0.000 2.370 296 G HA2 0.605 4.563 3.960 -0.003 0.000 0.317 296 G HA3 0.605 4.563 3.960 -0.003 0.000 0.317 296 G C -0.931 173.935 174.900 -0.056 0.000 1.162 296 G CA -0.175 44.677 45.100 -0.413 0.000 0.922 296 G HN 0.468 nan 8.290 nan 0.000 0.454 297 L N 3.716 124.986 121.223 0.078 0.000 2.360 297 L HA 0.548 4.886 4.340 -0.003 0.000 0.271 297 L C -1.699 175.281 176.870 0.183 0.000 1.057 297 L CA -2.578 52.387 54.840 0.209 0.000 0.803 297 L CB 1.525 43.688 42.059 0.173 0.000 1.207 297 L HN 0.337 nan 8.230 nan 0.000 0.445 298 P HA 0.143 nan 4.420 nan 0.000 0.274 298 P C 0.523 177.907 177.300 0.140 0.000 1.237 298 P CA -0.339 62.864 63.100 0.171 0.000 0.793 298 P CB 0.729 32.537 31.700 0.181 0.000 0.977 299 G N 1.509 110.382 108.800 0.122 0.000 2.422 299 G HA2 -0.195 3.763 3.960 -0.003 0.000 0.218 299 G HA3 -0.195 3.763 3.960 -0.003 0.000 0.218 299 G C 0.756 175.721 174.900 0.109 0.000 1.140 299 G CA 0.242 45.404 45.100 0.104 0.000 0.775 299 G HN 0.625 nan 8.290 nan 0.000 0.545 300 N N 1.072 119.848 118.700 0.127 0.000 2.447 300 N HA 0.160 4.898 4.740 -0.003 0.000 0.263 300 N C -1.239 174.375 175.510 0.174 0.000 1.226 300 N CA -1.093 52.044 53.050 0.146 0.000 0.906 300 N CB 1.453 40.035 38.487 0.158 0.000 1.060 300 N HN -0.117 nan 8.380 nan 0.000 0.468 301 P HA -0.202 nan 4.420 nan 0.000 0.215 301 P C 1.154 178.710 177.300 0.428 0.000 1.157 301 P CA 0.896 64.130 63.100 0.222 0.000 0.874 301 P CB 0.188 31.968 31.700 0.133 0.000 0.790 302 V N -0.396 119.802 119.914 0.473 0.000 2.343 302 V HA -0.220 3.898 4.120 -0.003 0.000 0.247 302 V C 2.425 178.728 176.094 0.347 0.000 1.051 302 V CA 2.344 64.938 62.300 0.491 0.000 1.036 302 V CB -1.473 30.561 31.823 0.350 0.000 0.654 302 V HN 0.151 nan 8.190 nan 0.000 0.451 303 S N 0.194 116.047 115.700 0.256 0.000 2.368 303 S HA -0.174 4.294 4.470 -0.003 0.000 0.225 303 S C 2.217 176.928 174.600 0.186 0.000 1.030 303 S CA 1.481 59.799 58.200 0.196 0.000 0.999 303 S CB -0.489 62.814 63.200 0.173 0.000 0.844 303 S HN 0.655 nan 8.310 nan 0.000 0.459 304 A N 1.106 124.044 122.820 0.196 0.000 1.898 304 A HA -0.094 4.224 4.320 -0.003 0.000 0.216 304 A C 2.341 180.046 177.584 0.201 0.000 1.181 304 A CA 1.996 54.142 52.037 0.183 0.000 0.620 304 A CB -1.305 17.782 19.000 0.146 0.000 0.819 304 A HN 0.460 nan 8.150 nan 0.000 0.442 305 T N 0.323 115.004 114.554 0.212 0.000 2.708 305 T HA -0.110 4.238 4.350 -0.003 0.000 0.266 305 T C 1.864 176.708 174.700 0.240 0.000 1.037 305 T CA 1.319 63.535 62.100 0.193 0.000 1.146 305 T CB -0.309 68.600 68.868 0.068 0.000 0.865 305 T HN 0.304 nan 8.240 nan 0.000 0.435 306 L N 1.090 122.438 121.223 0.208 0.000 2.046 306 L HA -0.105 4.233 4.340 -0.003 0.000 0.208 306 L C 2.329 179.187 176.870 -0.020 0.000 1.077 306 L CA 1.973 56.870 54.840 0.094 0.000 0.747 306 L CB -1.521 40.567 42.059 0.048 0.000 0.896 306 L HN 0.293 nan 8.230 nan 0.000 0.432 307 T N 0.063 114.619 114.554 0.004 0.000 2.746 307 T HA -0.244 4.104 4.350 -0.003 0.000 0.267 307 T C 1.613 176.241 174.700 -0.119 0.000 1.039 307 T CA 1.843 63.871 62.100 -0.120 0.000 1.142 307 T CB -0.520 68.314 68.868 -0.056 0.000 0.866 307 T HN 0.432 nan 8.240 nan 0.000 0.444 308 F N 0.569 120.487 119.950 -0.053 0.000 2.102 308 F HA -0.123 4.402 4.527 -0.004 0.000 0.298 308 F C 2.174 177.956 175.800 -0.031 0.000 1.105 308 F CA 1.062 59.043 58.000 -0.033 0.000 1.239 308 F CB -0.448 38.563 39.000 0.018 0.000 0.991 308 F HN 0.165 nan 8.300 nan 0.000 0.474 309 Y N 0.694 121.047 120.300 0.088 0.000 2.224 309 Y HA -0.222 4.326 4.550 -0.003 0.000 0.289 309 Y C 2.291 178.071 175.900 -0.199 0.000 1.146 309 Y CA 1.875 59.987 58.100 0.019 0.000 1.182 309 Y CB -0.182 38.398 38.460 0.201 0.000 0.983 309 Y HN 0.116 nan 8.280 nan 0.000 0.524 310 Q N -0.797 118.932 119.800 -0.118 0.000 2.376 310 Q HA 0.102 4.440 4.340 -0.003 0.000 0.206 310 Q C 1.895 177.699 176.000 -0.328 0.000 0.921 310 Q CA 0.776 56.416 55.803 -0.271 0.000 0.911 310 Q CB 0.682 29.127 28.738 -0.487 0.000 1.032 310 Q HN 0.529 nan 8.270 nan 0.000 0.510 311 L N -1.323 119.659 121.223 -0.402 0.000 2.519 311 L HA 0.072 4.410 4.340 -0.003 0.000 0.194 311 L C 2.087 178.701 176.870 -0.427 0.000 1.072 311 L CA 0.235 54.807 54.840 -0.447 0.000 0.845 311 L CB -0.036 41.608 42.059 -0.692 0.000 1.138 311 L HN -0.130 nan 8.230 nan 0.000 0.487 312 V N -0.005 119.605 119.914 -0.506 0.000 2.379 312 V HA -0.267 3.851 4.120 -0.003 0.000 0.245 312 V C 2.341 178.071 176.094 -0.607 0.000 1.044 312 V CA 1.736 63.724 62.300 -0.519 0.000 1.036 312 V CB -0.481 30.950 31.823 -0.654 0.000 0.664 312 V HN 0.466 nan 8.190 nan 0.000 0.453 313 Q N 0.236 119.564 119.800 -0.787 0.000 2.077 313 Q HA -0.210 4.128 4.340 -0.003 0.000 0.206 313 Q C -0.146 175.643 176.000 -0.351 0.000 0.989 313 Q CA 2.581 58.041 55.803 -0.572 0.000 0.853 313 Q CB -0.905 27.489 28.738 -0.574 0.000 0.907 313 Q HN 0.530 nan 8.270 nan 0.000 0.418 314 P HA -0.130 nan 4.420 nan 0.000 0.219 314 P C 1.250 178.427 177.300 -0.206 0.000 1.150 314 P CA 0.874 63.836 63.100 -0.229 0.000 0.814 314 P CB -0.103 31.469 31.700 -0.214 0.000 0.787 315 L N -1.045 120.037 121.223 -0.235 0.000 2.056 315 L HA -0.101 4.237 4.340 -0.003 0.000 0.207 315 L C 2.263 179.042 176.870 -0.151 0.000 1.078 315 L CA 1.473 56.189 54.840 -0.206 0.000 0.749 315 L CB -0.790 41.141 42.059 -0.213 0.000 0.901 315 L HN -0.167 nan 8.230 nan 0.000 0.433 316 L N -0.536 120.597 121.223 -0.150 0.000 2.093 316 L HA -0.165 4.173 4.340 -0.003 0.000 0.208 316 L C 2.780 179.603 176.870 -0.078 0.000 1.085 316 L CA 1.017 55.802 54.840 -0.092 0.000 0.755 316 L CB -0.924 41.079 42.059 -0.093 0.000 0.904 316 L HN 0.363 nan 8.230 nan 0.000 0.435 317 A N -0.106 122.652 122.820 -0.104 0.000 1.902 317 A HA -0.235 4.083 4.320 -0.003 0.000 0.217 317 A C 2.428 179.973 177.584 -0.066 0.000 1.181 317 A CA 1.744 53.732 52.037 -0.082 0.000 0.623 317 A CB -0.386 18.556 19.000 -0.096 0.000 0.818 317 A HN 0.270 nan 8.150 nan 0.000 0.443 318 K N -0.561 119.791 120.400 -0.079 0.000 2.025 318 K HA 0.002 4.319 4.320 -0.003 0.000 0.207 318 K C 1.941 178.518 176.600 -0.038 0.000 1.049 318 K CA 1.139 57.388 56.287 -0.064 0.000 0.933 318 K CB -0.293 32.155 32.500 -0.088 0.000 0.714 318 K HN 0.479 nan 8.250 nan 0.000 0.438 319 L N 1.127 122.328 121.223 -0.036 0.000 2.127 319 L HA -0.194 4.143 4.340 -0.003 0.000 0.211 319 L C 2.433 179.312 176.870 0.015 0.000 1.089 319 L CA 1.553 56.398 54.840 0.008 0.000 0.757 319 L CB -0.385 41.692 42.059 0.029 0.000 0.899 319 L HN 0.325 nan 8.230 nan 0.000 0.434 320 S N -1.010 114.688 115.700 -0.003 0.000 2.474 320 S HA -0.024 4.444 4.470 -0.003 0.000 0.235 320 S C 1.591 176.189 174.600 -0.003 0.000 0.997 320 S CA 0.808 59.007 58.200 -0.002 0.000 0.949 320 S CB 0.159 63.351 63.200 -0.013 0.000 0.766 320 S HN 0.591 nan 8.310 nan 0.000 0.517 321 G N 0.984 109.780 108.800 -0.007 0.000 2.179 321 G HA2 -0.242 3.716 3.960 -0.003 0.000 0.220 321 G HA3 -0.242 3.716 3.960 -0.003 0.000 0.220 321 G C -0.078 174.813 174.900 -0.015 0.000 0.990 321 G CA -0.055 45.041 45.100 -0.006 0.000 0.646 321 G HN 0.657 nan 8.290 nan 0.000 0.517 322 N N 1.633 120.319 118.700 -0.025 0.000 2.447 322 N HA 0.302 5.040 4.740 -0.003 0.000 0.263 322 N C 1.575 177.068 175.510 -0.028 0.000 1.226 322 N CA 1.003 54.034 53.050 -0.032 0.000 0.906 322 N CB 0.938 39.400 38.487 -0.041 0.000 1.060 322 N HN 0.422 nan 8.380 nan 0.000 0.468 323 T N 0.273 114.813 114.554 -0.023 0.000 3.235 323 T HA 0.499 4.847 4.350 -0.003 0.000 0.251 323 T C 0.456 175.143 174.700 -0.020 0.000 1.060 323 T CA -0.407 61.682 62.100 -0.018 0.000 0.949 323 T CB -0.089 68.774 68.868 -0.008 0.000 1.020 323 T HN 0.465 nan 8.240 nan 0.000 0.564 324 A N 0.717 123.520 122.820 -0.027 0.000 2.435 324 A HA 0.791 5.109 4.320 -0.003 0.000 0.296 324 A C 0.077 177.640 177.584 -0.035 0.000 1.147 324 A CA -0.851 51.170 52.037 -0.026 0.000 0.775 324 A CB 1.260 20.247 19.000 -0.023 0.000 1.340 324 A HN 0.289 nan 8.150 nan 0.000 0.427 325 S N -0.527 115.154 115.700 -0.032 0.000 2.579 325 S HA 0.391 4.859 4.470 -0.003 0.000 0.275 325 S C 1.150 175.721 174.600 -0.048 0.000 1.345 325 S CA 0.258 58.433 58.200 -0.042 0.000 1.031 325 S CB 1.055 64.237 63.200 -0.030 0.000 0.892 325 S HN 1.208 nan 8.310 nan 0.000 0.529 326 G N 0.655 109.410 108.800 -0.074 0.000 3.337 326 G HA2 0.419 4.377 3.960 -0.003 0.000 0.246 326 G HA3 0.419 4.377 3.960 -0.003 0.000 0.246 326 G C -0.179 174.659 174.900 -0.105 0.000 1.131 326 G CA -0.032 45.013 45.100 -0.091 0.000 0.773 326 G HN 0.442 nan 8.290 nan 0.000 0.544 327 L N 0.565 121.751 121.223 -0.063 0.000 2.370 327 L HA 0.512 4.850 4.340 -0.003 0.000 0.266 327 L C -2.176 174.730 176.870 0.059 0.000 1.002 327 L CA -1.902 52.925 54.840 -0.022 0.000 0.818 327 L CB 2.784 44.830 42.059 -0.022 0.000 1.325 327 L HN -0.122 nan 8.230 nan 0.000 0.418 328 P HA 0.307 nan 4.420 nan 0.000 0.272 328 P C -1.018 176.360 177.300 0.130 0.000 1.230 328 P CA -0.476 62.712 63.100 0.146 0.000 0.788 328 P CB 0.585 32.415 31.700 0.216 0.000 0.949 329 A N 2.155 125.034 122.820 0.098 0.000 2.287 329 A HA 0.453 4.771 4.320 -0.003 0.000 0.273 329 A C 0.345 177.983 177.584 0.090 0.000 1.091 329 A CA -0.408 51.675 52.037 0.076 0.000 0.817 329 A CB 0.315 19.345 19.000 0.050 0.000 1.069 329 A HN 0.491 nan 8.150 nan 0.000 0.492 330 R N -0.282 120.260 120.500 0.069 0.000 2.782 330 R HA 0.589 4.927 4.340 -0.003 0.000 0.258 330 R C -0.706 175.616 176.300 0.036 0.000 1.055 330 R CA -0.635 55.505 56.100 0.066 0.000 1.065 330 R CB 1.253 31.587 30.300 0.057 0.000 1.172 330 R HN 0.917 nan 8.270 nan 0.000 0.510 331 Q N 0.216 120.035 119.800 0.033 0.000 2.418 331 Q HA 0.388 4.726 4.340 -0.003 0.000 0.282 331 Q C -1.263 174.748 176.000 0.018 0.000 1.044 331 Q CA -1.065 54.746 55.803 0.014 0.000 0.813 331 Q CB 2.184 30.936 28.738 0.023 0.000 1.428 331 Q HN 0.442 nan 8.270 nan 0.000 0.402 332 R N 1.483 121.973 120.500 -0.016 0.000 2.298 332 R HA 0.571 4.909 4.340 -0.003 0.000 0.310 332 R C -1.257 175.140 176.300 0.161 0.000 1.068 332 R CA -0.102 55.995 56.100 -0.004 0.000 0.957 332 R CB 0.909 31.069 30.300 -0.234 0.000 1.003 332 R HN 0.546 nan 8.270 nan 0.000 0.454 333 V N 4.034 124.151 119.914 0.338 0.000 3.147 333 V HA 0.423 4.541 4.120 -0.003 0.000 0.306 333 V C -0.465 175.831 176.094 0.336 0.000 1.209 333 V CA -1.000 61.531 62.300 0.384 0.000 1.023 333 V CB 2.426 34.341 31.823 0.153 0.000 1.059 333 V HN 0.780 nan 8.190 nan 0.000 0.435 334 R N 0.625 121.139 120.500 0.023 0.000 2.404 334 R HA 0.608 4.946 4.340 -0.003 0.000 0.291 334 R C -0.534 175.688 176.300 -0.130 0.000 1.025 334 R CA -0.384 55.561 56.100 -0.258 0.000 0.991 334 R CB 1.450 31.445 30.300 -0.508 0.000 1.053 334 R HN 0.810 nan 8.270 nan 0.000 0.479 335 T N 1.102 115.579 114.554 -0.129 0.000 2.889 335 T HA 0.270 4.618 4.350 -0.003 0.000 0.291 335 T C 0.727 175.364 174.700 -0.105 0.000 0.995 335 T CA -0.558 61.487 62.100 -0.092 0.000 1.092 335 T CB 1.726 70.550 68.868 -0.073 0.000 0.954 335 T HN 0.704 nan 8.240 nan 0.000 0.506 336 A N 1.882 124.652 122.820 -0.084 0.000 2.430 336 A HA 0.540 4.858 4.320 -0.003 0.000 0.243 336 A C 0.837 178.381 177.584 -0.067 0.000 1.254 336 A CA -0.305 51.685 52.037 -0.079 0.000 0.914 336 A CB 0.337 19.295 19.000 -0.070 0.000 0.998 336 A HN 0.595 nan 8.150 nan 0.000 0.515 337 S N -0.445 115.216 115.700 -0.065 0.000 2.542 337 S HA 0.518 4.986 4.470 -0.003 0.000 0.293 337 S C -0.236 174.331 174.600 -0.055 0.000 1.089 337 S CA -0.708 57.458 58.200 -0.057 0.000 0.961 337 S CB 1.726 64.893 63.200 -0.056 0.000 1.062 337 S HN 0.555 nan 8.310 nan 0.000 0.483 338 R N 2.293 122.764 120.500 -0.049 0.000 2.340 338 R HA 0.472 4.810 4.340 -0.003 0.000 0.300 338 R C -1.323 174.948 176.300 -0.047 0.000 1.069 338 R CA -0.198 55.874 56.100 -0.046 0.000 0.984 338 R CB 0.115 30.391 30.300 -0.040 0.000 1.003 338 R HN 0.559 nan 8.270 nan 0.000 0.459 339 L N 4.977 126.172 121.223 -0.046 0.000 2.322 339 L HA 0.445 4.783 4.340 -0.003 0.000 0.281 339 L C -0.190 176.653 176.870 -0.046 0.000 1.014 339 L CA -1.040 53.771 54.840 -0.049 0.000 0.815 339 L CB 1.853 43.884 42.059 -0.046 0.000 1.247 339 L HN 0.494 nan 8.230 nan 0.000 0.421 340 K N 3.290 123.658 120.400 -0.053 0.000 2.312 340 K HA 0.404 4.722 4.320 -0.003 0.000 0.287 340 K C -0.589 175.985 176.600 -0.044 0.000 1.062 340 K CA -0.557 55.700 56.287 -0.049 0.000 0.934 340 K CB 1.509 33.971 32.500 -0.063 0.000 1.027 340 K HN 0.348 nan 8.250 nan 0.000 0.478 341 K N 1.333 121.713 120.400 -0.034 0.000 2.513 341 K HA 0.239 4.557 4.320 -0.003 0.000 0.251 341 K C -1.374 175.214 176.600 -0.021 0.000 0.939 341 K CA -0.300 55.970 56.287 -0.029 0.000 0.793 341 K CB 1.716 34.197 32.500 -0.032 0.000 1.241 341 K HN 0.359 nan 8.250 nan 0.000 0.431 342 T N 6.294 120.840 114.554 -0.015 0.000 2.749 342 T HA 0.436 4.784 4.350 -0.003 0.000 0.287 342 T C -2.547 172.148 174.700 -0.008 0.000 0.970 342 T CA -1.457 60.638 62.100 -0.008 0.000 0.980 342 T CB 1.282 70.150 68.868 -0.001 0.000 0.924 342 T HN 0.457 nan 8.240 nan 0.000 0.456 343 P HA 0.321 nan 4.420 nan 0.000 0.267 343 P C 1.051 178.349 177.300 -0.003 0.000 1.200 343 P CA 0.619 63.713 63.100 -0.009 0.000 0.772 343 P CB 0.495 32.190 31.700 -0.008 0.000 0.855 344 G N 1.495 110.292 108.800 -0.005 0.000 2.428 344 G HA2 -0.142 3.816 3.960 -0.003 0.000 0.199 344 G HA3 -0.142 3.816 3.960 -0.003 0.000 0.199 344 G C 0.015 174.918 174.900 0.005 0.000 1.005 344 G CA -0.480 44.621 45.100 0.002 0.000 0.671 344 G HN 0.564 nan 8.290 nan 0.000 0.485 345 R N -0.312 120.190 120.500 0.003 0.000 2.686 345 R HA 0.589 4.927 4.340 -0.003 0.000 0.283 345 R C -1.150 175.144 176.300 -0.011 0.000 0.978 345 R CA -0.987 55.119 56.100 0.010 0.000 0.897 345 R CB 2.349 32.668 30.300 0.032 0.000 1.192 345 R HN 0.221 nan 8.270 nan 0.000 0.457 346 L N 2.613 123.828 121.223 -0.013 0.000 2.456 346 L HA 0.144 4.482 4.340 -0.003 0.000 0.277 346 L C -0.513 176.313 176.870 -0.073 0.000 1.124 346 L CA 0.367 55.157 54.840 -0.083 0.000 0.880 346 L CB 0.180 42.193 42.059 -0.076 0.000 1.192 346 L HN 0.418 nan 8.230 nan 0.000 0.463 347 D N 4.731 125.055 120.400 -0.126 0.000 2.359 347 D HA 0.164 4.802 4.640 -0.003 0.000 0.230 347 D C -0.823 175.401 176.300 -0.128 0.000 1.118 347 D CA -0.099 53.869 54.000 -0.053 0.000 0.844 347 D CB 0.325 41.108 40.800 -0.029 0.000 1.059 347 D HN 0.346 nan 8.370 nan 0.000 0.493 348 F N 3.346 123.281 119.950 -0.026 0.000 2.573 348 F HA 0.178 4.703 4.527 -0.003 0.000 0.349 348 F C 1.357 177.221 175.800 0.108 0.000 1.213 348 F CA -0.425 57.563 58.000 -0.020 0.000 1.300 348 F CB 0.112 38.975 39.000 -0.228 0.000 1.661 348 F HN 0.125 nan 8.300 nan 0.000 0.616 349 Q N 1.103 121.007 119.800 0.174 0.000 2.471 349 Q HA 0.359 4.697 4.340 -0.003 0.000 0.223 349 Q C 0.042 176.123 176.000 0.134 0.000 1.045 349 Q CA -0.469 55.396 55.803 0.103 0.000 0.956 349 Q CB 0.895 29.640 28.738 0.011 0.000 1.249 349 Q HN 0.360 nan 8.270 nan 0.000 0.549 350 R N -0.461 120.018 120.500 -0.035 0.000 2.460 350 R HA 0.642 4.980 4.340 -0.003 0.000 0.303 350 R C -0.347 175.838 176.300 -0.192 0.000 0.968 350 R CA -0.046 55.953 56.100 -0.169 0.000 0.889 350 R CB 1.812 31.919 30.300 -0.322 0.000 1.123 350 R HN 0.742 nan 8.270 nan 0.000 0.455 351 G N -0.088 108.547 108.800 -0.274 0.000 2.766 351 G HA2 0.549 4.507 3.960 -0.003 0.000 0.288 351 G HA3 0.549 4.507 3.960 -0.003 0.000 0.288 351 G C -1.578 173.153 174.900 -0.282 0.000 1.408 351 G CA -0.563 44.403 45.100 -0.224 0.000 0.852 351 G HN 0.337 nan 8.290 nan 0.000 0.487 352 V N 0.942 120.738 119.914 -0.195 0.000 2.349 352 V HA 0.354 4.472 4.120 -0.003 0.000 0.284 352 V C -0.599 175.413 176.094 -0.137 0.000 1.014 352 V CA -0.694 61.500 62.300 -0.177 0.000 0.826 352 V CB 1.062 32.811 31.823 -0.124 0.000 1.009 352 V HN 0.541 nan 8.190 nan 0.000 0.431 353 L N 6.112 127.248 121.223 -0.146 0.000 2.331 353 L HA 0.536 4.874 4.340 -0.003 0.000 0.278 353 L C 0.157 176.986 176.870 -0.069 0.000 1.106 353 L CA 0.678 55.461 54.840 -0.096 0.000 0.824 353 L CB 0.888 42.890 42.059 -0.095 0.000 1.142 353 L HN 0.914 nan 8.230 nan 0.000 0.443 354 Q N 4.469 124.240 119.800 -0.049 0.000 2.522 354 Q HA 0.476 4.814 4.340 -0.003 0.000 0.285 354 Q C -1.252 174.734 176.000 -0.025 0.000 0.982 354 Q CA -1.037 54.744 55.803 -0.036 0.000 0.805 354 Q CB 1.612 30.326 28.738 -0.040 0.000 1.457 354 Q HN 0.503 nan 8.270 nan 0.000 0.394 355 R N 1.626 122.116 120.500 -0.018 0.000 2.357 355 R HA 0.251 4.589 4.340 -0.003 0.000 0.296 355 R C 0.241 176.532 176.300 -0.016 0.000 1.052 355 R CA -0.189 55.904 56.100 -0.012 0.000 0.988 355 R CB 0.566 30.863 30.300 -0.006 0.000 1.025 355 R HN 0.741 nan 8.270 nan 0.000 0.469 356 N N 2.105 120.795 118.700 -0.017 0.000 2.547 356 N HA 0.127 4.865 4.740 -0.003 0.000 0.301 356 N C 0.776 176.276 175.510 -0.016 0.000 1.328 356 N CA -0.065 52.972 53.050 -0.021 0.000 0.932 356 N CB -0.367 38.103 38.487 -0.029 0.000 1.104 356 N HN 0.400 nan 8.380 nan 0.000 0.548 357 A N -0.601 122.209 122.820 -0.017 0.000 1.873 357 A HA -0.119 4.199 4.320 -0.003 0.000 0.215 357 A C 1.004 178.582 177.584 -0.009 0.000 1.186 357 A CA 1.843 53.872 52.037 -0.013 0.000 0.616 357 A CB -1.068 17.923 19.000 -0.015 0.000 0.823 357 A HN 0.728 nan 8.150 nan 0.000 0.442 358 D N -0.788 119.607 120.400 -0.009 0.000 2.338 358 D HA 0.342 4.980 4.640 -0.003 0.000 0.239 358 D C 1.189 177.490 176.300 0.002 0.000 1.095 358 D CA 1.003 55.001 54.000 -0.003 0.000 0.888 358 D CB -0.271 40.528 40.800 -0.002 0.000 0.899 358 D HN 0.597 nan 8.370 nan 0.000 0.525 359 G N 0.736 109.536 108.800 -0.000 0.000 2.153 359 G HA2 -0.353 3.605 3.960 -0.003 0.000 0.252 359 G HA3 -0.353 3.605 3.960 -0.003 0.000 0.252 359 G C 0.147 175.052 174.900 0.008 0.000 0.994 359 G CA 0.061 45.163 45.100 0.003 0.000 0.698 359 G HN 0.382 nan 8.290 nan 0.000 0.521 360 E N -0.683 119.521 120.200 0.006 0.000 2.301 360 E HA 0.611 4.959 4.350 -0.003 0.000 0.275 360 E C 0.245 176.850 176.600 0.009 0.000 1.030 360 E CA -0.790 55.619 56.400 0.014 0.000 0.852 360 E CB 0.634 30.338 29.700 0.008 0.000 1.060 360 E HN 0.178 nan 8.360 nan 0.000 0.401 361 L N 4.520 125.758 121.223 0.025 0.000 2.290 361 L HA 0.278 4.616 4.340 -0.003 0.000 0.284 361 L C -0.403 176.475 176.870 0.013 0.000 1.078 361 L CA 0.444 55.295 54.840 0.018 0.000 0.815 361 L CB 0.441 42.520 42.059 0.032 0.000 1.162 361 L HN 0.631 nan 8.230 nan 0.000 0.435 362 E N 3.964 124.155 120.200 -0.014 0.000 2.393 362 E HA 0.698 5.046 4.350 -0.003 0.000 0.273 362 E C -1.607 174.969 176.600 -0.041 0.000 0.918 362 E CA -1.042 55.338 56.400 -0.033 0.000 0.773 362 E CB 1.923 31.588 29.700 -0.058 0.000 1.275 362 E HN 0.256 nan 8.360 nan 0.000 0.451 363 V N -0.466 119.419 119.914 -0.048 0.000 2.667 363 V HA 0.685 4.803 4.120 -0.003 0.000 0.308 363 V C -0.252 175.801 176.094 -0.068 0.000 1.048 363 V CA -0.567 61.696 62.300 -0.061 0.000 0.928 363 V CB 1.394 33.183 31.823 -0.057 0.000 1.004 363 V HN 0.780 nan 8.190 nan 0.000 0.444 364 T N 1.764 116.271 114.554 -0.078 0.000 2.908 364 T HA 0.485 4.833 4.350 -0.003 0.000 0.290 364 T C -0.026 174.624 174.700 -0.084 0.000 1.034 364 T CA -0.248 61.808 62.100 -0.073 0.000 1.010 364 T CB 1.796 70.624 68.868 -0.067 0.000 1.068 364 T HN 1.058 nan 8.240 nan 0.000 0.481 365 T N 0.601 115.111 114.554 -0.074 0.000 2.868 365 T HA 0.218 4.566 4.350 -0.003 0.000 0.292 365 T C 1.674 176.324 174.700 -0.083 0.000 1.028 365 T CA 0.167 62.219 62.100 -0.080 0.000 1.059 365 T CB 0.467 69.296 68.868 -0.067 0.000 0.991 365 T HN 0.768 nan 8.240 nan 0.000 0.531 366 T N 0.798 115.293 114.554 -0.097 0.000 3.043 366 T HA 0.472 4.820 4.350 -0.003 0.000 0.263 366 T C 1.260 175.926 174.700 -0.058 0.000 1.094 366 T CA 0.577 62.621 62.100 -0.094 0.000 1.127 366 T CB -0.296 68.493 68.868 -0.131 0.000 0.905 366 T HN 1.219 nan 8.240 nan 0.000 0.490 367 G N 0.493 109.266 108.800 -0.045 0.000 2.240 367 G HA2 0.038 3.996 3.960 -0.003 0.000 0.199 367 G HA3 0.038 3.996 3.960 -0.003 0.000 0.199 367 G C -0.992 173.918 174.900 0.018 0.000 1.342 367 G CA -0.571 44.527 45.100 -0.004 0.000 1.145 367 G HN 0.660 nan 8.290 nan 0.000 0.477 368 H N 1.566 120.629 119.070 -0.011 0.000 3.004 368 H HA 0.387 4.941 4.556 -0.003 0.000 0.316 368 H C 1.290 176.616 175.328 -0.002 0.000 1.014 368 H CA 0.592 56.654 56.048 0.023 0.000 1.454 368 H CB 0.872 30.686 29.762 0.087 0.000 1.472 368 H HN 0.318 nan 8.280 nan 0.000 0.571 369 Q N 3.803 123.553 119.800 -0.083 0.000 2.320 369 Q HA 0.131 4.469 4.340 -0.003 0.000 0.201 369 Q C 0.816 176.894 176.000 0.130 0.000 0.910 369 Q CA 0.336 56.135 55.803 -0.008 0.000 0.946 369 Q CB 0.533 29.229 28.738 -0.070 0.000 1.062 369 Q HN 0.813 nan 8.270 nan 0.000 0.503 370 G N 1.190 110.280 108.800 0.483 0.000 2.554 370 G HA2 0.098 4.056 3.960 -0.003 0.000 0.238 370 G HA3 0.098 4.056 3.960 -0.003 0.000 0.238 370 G C 0.700 175.794 174.900 0.324 0.000 1.259 370 G CA 0.078 45.502 45.100 0.539 0.000 0.843 370 G HN 0.271 nan 8.290 nan 0.000 0.582 371 S N -0.088 115.788 115.700 0.293 0.000 2.710 371 S HA -0.025 4.443 4.470 -0.003 0.000 0.224 371 S C 1.398 176.133 174.600 0.225 0.000 0.948 371 S CA 0.476 58.803 58.200 0.211 0.000 0.949 371 S CB -0.349 62.968 63.200 0.195 0.000 0.778 371 S HN 0.845 nan 8.310 nan 0.000 0.498 372 H N 1.391 120.528 119.070 0.111 0.000 2.548 372 H HA 0.391 4.945 4.556 -0.003 0.000 0.265 372 H C 0.590 175.977 175.328 0.097 0.000 0.969 372 H CA -0.159 55.941 56.048 0.085 0.000 1.155 372 H CB -0.459 29.322 29.762 0.032 0.000 1.394 372 H HN 0.692 nan 8.280 nan 0.000 0.570 373 I N -4.604 115.790 120.570 -0.293 0.000 2.934 373 I HA 0.337 4.505 4.170 -0.003 0.000 0.306 373 I C -0.373 175.791 176.117 0.079 0.000 1.110 373 I CA -1.286 59.918 61.300 -0.161 0.000 1.019 373 I CB 1.825 39.616 38.000 -0.349 0.000 1.227 373 I HN -0.180 nan 8.210 nan 0.000 0.434 374 F N 1.576 121.532 119.950 0.009 0.000 2.724 374 F HA 0.087 4.612 4.527 -0.003 0.000 0.306 374 F C 2.341 178.218 175.800 0.129 0.000 1.100 374 F CA 0.738 58.821 58.000 0.138 0.000 1.255 374 F CB 0.521 39.612 39.000 0.152 0.000 1.072 374 F HN 0.656 nan 8.300 nan 0.000 0.589 375 S N -0.599 115.170 115.700 0.116 0.000 2.465 375 S HA -0.212 4.256 4.470 -0.003 0.000 0.241 375 S C 2.178 176.740 174.600 -0.064 0.000 1.000 375 S CA 1.243 59.473 58.200 0.050 0.000 0.964 375 S CB -1.131 62.087 63.200 0.030 0.000 0.763 375 S HN 0.445 nan 8.310 nan 0.000 0.512 376 S N 1.030 116.609 115.700 -0.201 0.000 2.419 376 S HA -0.008 4.460 4.470 -0.003 0.000 0.233 376 S C 1.463 175.842 174.600 -0.368 0.000 1.016 376 S CA 0.657 58.676 58.200 -0.302 0.000 0.974 376 S CB -1.066 61.891 63.200 -0.405 0.000 0.786 376 S HN 0.559 nan 8.310 nan 0.000 0.492 377 F N 1.709 121.450 119.950 -0.349 0.000 2.259 377 F HA 0.046 4.571 4.527 -0.003 0.000 0.298 377 F C 3.097 178.796 175.800 -0.167 0.000 1.088 377 F CA 1.038 58.749 58.000 -0.482 0.000 1.358 377 F CB -0.335 38.120 39.000 -0.908 0.000 1.040 377 F HN 0.349 nan 8.300 nan 0.000 0.505 378 S N 0.086 115.840 115.700 0.091 0.000 2.388 378 S HA -0.027 4.441 4.470 -0.003 0.000 0.223 378 S C 1.983 176.624 174.600 0.068 0.000 1.034 378 S CA 0.621 58.893 58.200 0.121 0.000 0.963 378 S CB -0.306 62.969 63.200 0.125 0.000 0.827 378 S HN 0.288 nan 8.310 nan 0.000 0.481 379 L N 1.024 122.253 121.223 0.010 0.000 2.201 379 L HA 0.171 4.509 4.340 -0.003 0.000 0.212 379 L C 1.605 178.439 176.870 -0.060 0.000 1.105 379 L CA 0.551 55.377 54.840 -0.024 0.000 0.775 379 L CB -0.676 41.356 42.059 -0.046 0.000 0.913 379 L HN 0.355 nan 8.230 nan 0.000 0.440 380 G N -0.459 108.289 108.800 -0.085 0.000 2.531 380 G HA2 0.261 4.219 3.960 -0.003 0.000 0.313 380 G HA3 0.261 4.219 3.960 -0.003 0.000 0.313 380 G C 0.086 174.806 174.900 -0.300 0.000 1.238 380 G CA -0.161 44.803 45.100 -0.226 0.000 0.994 380 G HN 0.321 nan 8.290 nan 0.000 0.493 381 N N -2.471 115.825 118.700 -0.674 0.000 2.142 381 N HA 0.145 4.883 4.740 -0.003 0.000 0.233 381 N C -0.062 174.672 175.510 -1.293 0.000 1.335 381 N CA 0.162 52.787 53.050 -0.709 0.000 0.837 381 N CB -0.382 37.949 38.487 -0.260 0.000 1.238 381 N HN 0.859 nan 8.380 nan 0.000 0.501 382 C N -2.470 115.713 119.300 -1.862 0.000 3.275 382 C HA 0.741 5.199 4.460 -0.003 0.000 0.340 382 C C -1.578 172.863 174.990 -0.916 0.000 1.366 382 C CA -1.630 56.640 59.018 -1.247 0.000 1.227 382 C CB 0.043 27.509 27.740 -0.457 0.000 1.512 382 C HN 0.048 nan 8.230 nan 0.000 0.461 383 F N 1.199 121.072 119.950 -0.128 0.000 2.443 383 F HA 0.693 5.218 4.527 -0.003 0.000 0.335 383 F C 0.500 176.294 175.800 -0.011 0.000 1.104 383 F CA -0.745 57.293 58.000 0.062 0.000 1.013 383 F CB 1.446 40.631 39.000 0.309 0.000 1.136 383 F HN 0.428 nan 8.300 nan 0.000 0.470 384 I N 4.515 125.175 120.570 0.151 0.000 2.307 384 I HA 0.177 4.345 4.170 -0.003 0.000 0.287 384 I C -0.701 175.412 176.117 -0.007 0.000 1.054 384 I CA -0.659 60.664 61.300 0.039 0.000 1.218 384 I CB 0.766 38.760 38.000 -0.010 0.000 1.398 384 I HN 0.218 nan 8.210 nan 0.000 0.475 385 V N 7.757 127.628 119.914 -0.072 0.000 2.326 385 V HA 0.150 4.268 4.120 -0.003 0.000 0.249 385 V C 0.469 176.421 176.094 -0.237 0.000 1.114 385 V CA -0.199 61.919 62.300 -0.304 0.000 1.028 385 V CB -0.297 31.308 31.823 -0.363 0.000 1.170 385 V HN 0.499 nan 8.190 nan 0.000 0.494 386 L N 4.070 125.164 121.223 -0.215 0.000 2.319 386 L HA 0.354 4.692 4.340 -0.003 0.000 0.280 386 L C 0.657 177.436 176.870 -0.153 0.000 1.099 386 L CA -0.569 54.188 54.840 -0.138 0.000 0.828 386 L CB 0.666 42.670 42.059 -0.092 0.000 1.150 386 L HN 0.536 nan 8.230 nan 0.000 0.442 387 E N 1.894 122.027 120.200 -0.110 0.000 2.467 387 E HA -0.095 4.253 4.350 -0.003 0.000 0.264 387 E C 0.973 177.527 176.600 -0.077 0.000 1.020 387 E CA 0.170 56.513 56.400 -0.095 0.000 0.945 387 E CB 0.463 30.125 29.700 -0.063 0.000 0.942 387 E HN 0.373 nan 8.360 nan 0.000 0.449 388 R N 2.058 122.517 120.500 -0.069 0.000 2.113 388 R HA -0.235 4.103 4.340 -0.003 0.000 0.244 388 R C 0.573 176.853 176.300 -0.033 0.000 1.142 388 R CA 2.033 58.105 56.100 -0.047 0.000 0.953 388 R CB 0.042 30.319 30.300 -0.038 0.000 0.860 388 R HN 0.544 nan 8.270 nan 0.000 0.438 389 D N -0.222 120.159 120.400 -0.030 0.000 2.347 389 D HA -0.039 4.599 4.640 -0.003 0.000 0.213 389 D C 0.482 176.770 176.300 -0.021 0.000 0.985 389 D CA 0.250 54.237 54.000 -0.022 0.000 0.879 389 D CB -0.080 40.709 40.800 -0.019 0.000 0.919 389 D HN 0.183 nan 8.370 nan 0.000 0.526 390 R N 0.254 120.738 120.500 -0.027 0.000 2.694 390 R HA 0.345 4.683 4.340 -0.003 0.000 0.268 390 R C 0.706 176.993 176.300 -0.021 0.000 1.061 390 R CA 0.095 56.181 56.100 -0.023 0.000 1.133 390 R CB 0.611 30.894 30.300 -0.028 0.000 1.020 390 R HN 0.041 nan 8.270 nan 0.000 0.475 391 G N 1.184 109.974 108.800 -0.018 0.000 3.119 391 G HA2 0.147 4.104 3.960 -0.003 0.000 0.206 391 G HA3 0.147 4.104 3.960 -0.003 0.000 0.206 391 G C -0.831 174.057 174.900 -0.020 0.000 1.313 391 G CA -0.757 44.333 45.100 -0.017 0.000 1.010 391 G HN 0.611 nan 8.290 nan 0.000 0.578 392 N N -0.674 118.013 118.700 -0.020 0.000 2.345 392 N HA 0.167 4.905 4.740 -0.003 0.000 0.243 392 N C -0.282 175.213 175.510 -0.024 0.000 1.246 392 N CA 0.179 53.215 53.050 -0.024 0.000 0.863 392 N CB 1.136 39.609 38.487 -0.023 0.000 1.096 392 N HN 0.149 nan 8.380 nan 0.000 0.446 393 V N 1.705 121.602 119.914 -0.029 0.000 2.487 393 V HA 0.259 4.376 4.120 -0.003 0.000 0.298 393 V C 0.136 176.207 176.094 -0.037 0.000 1.028 393 V CA -0.855 61.428 62.300 -0.030 0.000 0.860 393 V CB 1.816 33.621 31.823 -0.030 0.000 0.991 393 V HN 0.474 nan 8.190 nan 0.000 0.427 394 E N 2.246 122.422 120.200 -0.040 0.000 2.283 394 E HA 0.434 4.782 4.350 -0.003 0.000 0.271 394 E C -0.304 176.257 176.600 -0.065 0.000 1.031 394 E CA -0.722 55.649 56.400 -0.047 0.000 0.868 394 E CB 2.124 31.798 29.700 -0.043 0.000 1.094 394 E HN 0.383 nan 8.360 nan 0.000 0.401 395 V N 1.398 121.272 119.914 -0.067 0.000 2.720 395 V HA 0.138 4.256 4.120 -0.003 0.000 0.307 395 V C 1.567 177.595 176.094 -0.111 0.000 1.071 395 V CA 1.953 64.203 62.300 -0.084 0.000 1.199 395 V CB 0.135 31.914 31.823 -0.073 0.000 0.900 395 V HN 1.027 nan 8.190 nan 0.000 0.494 396 G N 3.099 111.806 108.800 -0.154 0.000 2.217 396 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.246 396 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.246 396 G C 0.125 174.847 174.900 -0.296 0.000 0.990 396 G CA 0.220 45.186 45.100 -0.223 0.000 0.627 396 G HN 0.672 nan 8.290 nan 0.000 0.522 397 E N -0.753 119.326 120.200 -0.202 0.000 2.374 397 E HA 0.380 4.728 4.350 -0.003 0.000 0.260 397 E C -0.210 176.291 176.600 -0.166 0.000 1.101 397 E CA -0.726 55.579 56.400 -0.159 0.000 0.907 397 E CB 0.561 30.229 29.700 -0.054 0.000 1.014 397 E HN 0.372 nan 8.360 nan 0.000 0.427 398 W N 1.274 122.558 121.300 -0.027 0.000 2.261 398 W HA 0.386 5.044 4.660 -0.003 0.000 0.323 398 W C -0.292 176.207 176.519 -0.033 0.000 1.243 398 W CA -0.296 57.032 57.345 -0.028 0.000 1.210 398 W CB 0.971 30.416 29.460 -0.025 0.000 1.149 398 W HN 0.123 nan 8.180 nan 0.000 0.562 399 V N 3.317 123.399 119.914 0.279 0.000 3.087 399 V HA 0.261 4.379 4.120 -0.003 0.000 0.306 399 V C -0.646 175.510 176.094 0.104 0.000 1.187 399 V CA -1.024 61.352 62.300 0.127 0.000 0.999 399 V CB 2.187 34.044 31.823 0.058 0.000 1.049 399 V HN 0.359 nan 8.190 nan 0.000 0.431 400 E N 2.541 122.765 120.200 0.040 0.000 2.313 400 E HA 0.486 4.834 4.350 -0.003 0.000 0.276 400 E C -1.109 175.507 176.600 0.026 0.000 1.031 400 E CA -0.074 56.339 56.400 0.021 0.000 0.857 400 E CB 1.954 31.644 29.700 -0.017 0.000 1.040 400 E HN 0.377 nan 8.360 nan 0.000 0.408 401 V N 2.610 122.549 119.914 0.043 0.000 2.656 401 V HA 0.212 4.330 4.120 -0.003 0.000 0.307 401 V C -0.258 175.890 176.094 0.090 0.000 1.051 401 V CA -0.682 61.650 62.300 0.053 0.000 0.893 401 V CB 2.097 33.936 31.823 0.026 0.000 0.999 401 V HN 0.605 nan 8.190 nan 0.000 0.426 402 E N 6.111 126.405 120.200 0.157 0.000 2.186 402 E HA 0.451 4.799 4.350 -0.003 0.000 0.255 402 E C -2.730 174.008 176.600 0.229 0.000 0.881 402 E CA -2.124 54.419 56.400 0.239 0.000 0.752 402 E CB 2.179 32.108 29.700 0.382 0.000 1.176 402 E HN 0.397 nan 8.360 nan 0.000 0.421 403 P HA 0.013 nan 4.420 nan 0.000 0.268 403 P C -0.651 176.817 177.300 0.281 0.000 1.204 403 P CA -0.069 63.083 63.100 0.086 0.000 0.768 403 P CB 0.182 31.932 31.700 0.084 0.000 0.842 404 F N 2.540 122.534 119.950 0.072 0.000 2.563 404 F HA 0.045 4.570 4.527 -0.003 0.000 0.363 404 F C 1.578 177.534 175.800 0.260 0.000 1.123 404 F CA -0.253 57.836 58.000 0.148 0.000 1.307 404 F CB -0.507 38.525 39.000 0.053 0.000 1.115 404 F HN 0.372 nan 8.300 nan 0.000 0.592 405 N N 1.452 120.499 118.700 0.577 0.000 2.431 405 N HA 0.362 5.100 4.740 -0.003 0.000 0.289 405 N C 0.746 176.431 175.510 0.292 0.000 1.277 405 N CA -0.023 53.247 53.050 0.367 0.000 0.972 405 N CB -0.288 38.378 38.487 0.298 0.000 1.143 405 N HN 0.449 nan 8.380 nan 0.000 0.578 406 A N -0.603 122.327 122.820 0.182 0.000 2.076 406 A HA -0.056 4.262 4.320 -0.003 0.000 0.220 406 A C 2.100 179.715 177.584 0.053 0.000 1.160 406 A CA 0.915 53.023 52.037 0.118 0.000 0.653 406 A CB -1.138 17.912 19.000 0.083 0.000 0.801 406 A HN 0.617 nan 8.150 nan 0.000 0.455 407 L N -2.537 118.691 121.223 0.009 0.000 2.261 407 L HA -0.131 4.207 4.340 -0.003 0.000 0.216 407 L C 1.589 178.171 176.870 -0.481 0.000 1.114 407 L CA 1.163 55.861 54.840 -0.236 0.000 0.777 407 L CB -0.358 41.523 42.059 -0.297 0.000 0.910 407 L HN 0.488 nan 8.230 nan 0.000 0.440 408 F N -1.736 118.236 119.950 0.035 0.000 2.706 408 F HA 0.312 4.837 4.527 -0.003 0.000 0.313 408 F C 1.539 177.388 175.800 0.082 0.000 1.096 408 F CA 0.417 58.404 58.000 -0.021 0.000 1.219 408 F CB 1.172 40.011 39.000 -0.268 0.000 1.051 408 F HN 0.047 nan 8.300 nan 0.000 0.568 409 G N 0.052 108.983 108.800 0.218 0.000 2.284 409 G HA2 -0.120 3.838 3.960 -0.003 0.000 0.201 409 G HA3 -0.120 3.838 3.960 -0.003 0.000 0.201 409 G C 0.574 175.577 174.900 0.171 0.000 0.998 409 G CA -0.406 44.798 45.100 0.174 0.000 0.651 409 G HN 0.612 nan 8.290 nan 0.000 0.489 410 G N 0.000 108.940 108.800 0.233 0.000 5.446 410 G HA2 0.000 3.958 3.960 -0.003 0.000 0.244 410 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 410 G CA 0.000 45.215 45.100 0.192 0.000 0.502 410 G HN 0.000 nan 8.290 nan 0.000 0.925