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 1sqq_1_A DATA FIRST_RESID 1 DATA SEQUENCE TATYAQALQS VPETQVSQLD NGLRVASEQS SQPTCTVGVW IDAGSRYESE DATA SEQUENCE KNNGAGYFVE HLAFKGTKNR PGNALEKEVE SMGAHLNAYS TREHTAYYIK DATA SEQUENCE ALSKDLPKAV ELLADIVQNC SLEDSQIEKE RDVILQELQE NDTSMRDVVF DATA SEQUENCE NYLHATAFQG TPLAQSVEGP SENVRKLSRA DLTEYLSRHY KAPRMVLAAA DATA SEQUENCE GGLEHRQLLD LAQKHFSGLS GTYDEDAVPT LSPCRFTGSQ ICHREDGLPL DATA SEQUENCE AHVAIAVEGP GWAHPDNVAL QVANAIIGHY DCTYGGGAHL SSPLASIAAT DATA SEQUENCE NKLCQSFQTF NICYADTGLL GAHFVCDHMS IDDMMFVLQG QWMRLCTSAT DATA SEQUENCE ESEVLRGKNL LRNALVSHLD GTTPVCEDIG RSLLTYGRRI PLAEWESRIA DATA SEQUENCE EVDARVVREV CSKYFYDQCP AVAGFGPIEQ LPDYNRIRSG MFWLRF 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.711 174.700 0.019 0.000 1.109 1 T CA 0.000 62.110 62.100 0.016 0.000 1.349 1 T CB 0.000 68.880 68.868 0.020 0.000 0.612 2 A N 2.478 125.310 122.820 0.019 0.000 2.531 2 A HA 0.552 4.871 4.320 -0.000 0.000 0.236 2 A C 1.090 178.697 177.584 0.037 0.000 1.062 2 A CA 0.294 52.343 52.037 0.021 0.000 0.760 2 A CB -0.520 18.489 19.000 0.016 0.000 0.995 2 A HN 1.437 nan 8.150 nan 0.000 0.501 3 T N 0.144 114.722 114.554 0.039 0.000 2.726 3 T HA 0.225 4.575 4.350 -0.000 0.000 0.294 3 T C 0.855 175.612 174.700 0.096 0.000 1.013 3 T CA 0.631 62.773 62.100 0.070 0.000 0.996 3 T CB 0.207 69.111 68.868 0.061 0.000 1.016 3 T HN 0.714 nan 8.240 nan 0.000 0.529 4 Y N 1.077 121.383 120.300 0.009 0.000 2.184 4 Y HA 0.102 4.652 4.550 -0.000 0.000 0.290 4 Y C 2.597 178.505 175.900 0.014 0.000 1.129 4 Y CA 1.481 59.588 58.100 0.012 0.000 1.144 4 Y CB -1.123 37.345 38.460 0.014 0.000 0.995 4 Y HN 0.751 nan 8.280 nan 0.000 0.513 5 A N 0.827 123.497 122.820 -0.251 0.000 1.892 5 A HA -0.326 3.994 4.320 -0.000 0.000 0.218 5 A C 2.190 179.667 177.584 -0.180 0.000 1.188 5 A CA 2.244 54.118 52.037 -0.272 0.000 0.631 5 A CB -1.087 17.860 19.000 -0.088 0.000 0.822 5 A HN 0.702 nan 8.150 nan 0.000 0.447 6 Q N -1.200 118.548 119.800 -0.086 0.000 2.197 6 Q HA -0.210 4.130 4.340 -0.000 0.000 0.207 6 Q C 2.268 178.224 176.000 -0.073 0.000 0.984 6 Q CA 1.566 57.334 55.803 -0.059 0.000 0.869 6 Q CB -0.328 28.397 28.738 -0.021 0.000 0.906 6 Q HN 0.736 nan 8.270 nan 0.000 0.426 7 A N -0.117 122.646 122.820 -0.095 0.000 2.072 7 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 7 A C 1.879 179.400 177.584 -0.105 0.000 1.156 7 A CA 0.332 52.328 52.037 -0.068 0.000 0.701 7 A CB -0.167 18.825 19.000 -0.014 0.000 0.816 7 A HN 0.261 nan 8.150 nan 0.000 0.458 8 L N -1.192 119.909 121.223 -0.203 0.000 2.109 8 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 8 L C 2.665 179.470 176.870 -0.109 0.000 1.086 8 L CA 1.259 55.990 54.840 -0.182 0.000 0.760 8 L CB -0.389 41.495 42.059 -0.292 0.000 0.910 8 L HN 0.435 nan 8.230 nan 0.000 0.437 9 Q N -0.529 119.210 119.800 -0.102 0.000 2.297 9 Q HA -0.148 4.192 4.340 -0.000 0.000 0.204 9 Q C 2.363 178.332 176.000 -0.052 0.000 0.962 9 Q CA 1.434 57.195 55.803 -0.070 0.000 0.879 9 Q CB 0.096 28.796 28.738 -0.063 0.000 0.947 9 Q HN 0.522 nan 8.270 nan 0.000 0.462 10 S N -1.125 114.546 115.700 -0.048 0.000 2.402 10 S HA -0.025 4.445 4.470 -0.000 0.000 0.229 10 S C 0.831 175.416 174.600 -0.026 0.000 1.021 10 S CA 0.073 58.254 58.200 -0.032 0.000 0.974 10 S CB -0.159 63.026 63.200 -0.025 0.000 0.800 10 S HN 0.064 nan 8.310 nan 0.000 0.484 11 V N 4.311 124.208 119.914 -0.027 0.000 2.485 11 V HA 0.262 4.382 4.120 -0.000 0.000 0.287 11 V C -1.984 174.095 176.094 -0.025 0.000 1.022 11 V CA -1.549 60.739 62.300 -0.020 0.000 1.067 11 V CB -0.284 31.532 31.823 -0.012 0.000 0.967 11 V HN 0.342 nan 8.190 nan 0.000 0.479 12 P HA 0.044 nan 4.420 nan 0.000 0.266 12 P C 0.190 177.466 177.300 -0.040 0.000 1.193 12 P CA -0.158 62.924 63.100 -0.030 0.000 0.770 12 P CB 0.394 32.078 31.700 -0.025 0.000 0.836 13 E N 0.991 121.162 120.200 -0.049 0.000 2.558 13 E HA -0.012 4.338 4.350 -0.000 0.000 0.255 13 E C -0.238 176.316 176.600 -0.078 0.000 0.968 13 E CA 0.528 56.890 56.400 -0.064 0.000 0.939 13 E CB 0.157 29.815 29.700 -0.070 0.000 0.921 13 E HN 0.395 nan 8.360 nan 0.000 0.477 14 T N 4.996 119.505 114.554 -0.076 0.000 2.888 14 T HA 0.032 4.382 4.350 -0.000 0.000 0.301 14 T C 0.028 174.644 174.700 -0.140 0.000 1.001 14 T CA -0.012 62.032 62.100 -0.094 0.000 1.147 14 T CB 0.540 69.366 68.868 -0.069 0.000 0.931 14 T HN 0.338 nan 8.240 nan 0.000 0.541 15 Q N 2.440 122.105 119.800 -0.225 0.000 2.357 15 Q HA 0.438 4.778 4.340 -0.000 0.000 0.266 15 Q C -0.956 174.780 176.000 -0.440 0.000 1.021 15 Q CA -0.601 54.964 55.803 -0.396 0.000 0.784 15 Q CB 2.001 30.360 28.738 -0.631 0.000 1.243 15 Q HN 0.445 nan 8.270 nan 0.000 0.465 16 V N 1.841 121.623 119.914 -0.221 0.000 2.398 16 V HA 0.538 4.658 4.120 -0.000 0.000 0.286 16 V C 0.038 176.150 176.094 0.031 0.000 1.026 16 V CA -0.522 61.740 62.300 -0.064 0.000 0.868 16 V CB 1.343 33.142 31.823 -0.039 0.000 0.982 16 V HN 0.813 nan 8.190 nan 0.000 0.443 17 S N 3.411 119.201 115.700 0.150 0.000 2.599 17 S HA 0.752 5.222 4.470 -0.000 0.000 0.287 17 S C -0.933 173.703 174.600 0.060 0.000 1.105 17 S CA -0.924 57.348 58.200 0.120 0.000 0.899 17 S CB 2.232 65.536 63.200 0.173 0.000 1.100 17 S HN 0.693 nan 8.310 nan 0.000 0.482 18 Q N 0.390 120.213 119.800 0.038 0.000 2.309 18 Q HA 0.595 4.935 4.340 -0.000 0.000 0.264 18 Q C -1.418 174.592 176.000 0.017 0.000 1.008 18 Q CA -0.913 54.903 55.803 0.022 0.000 0.853 18 Q CB 1.054 29.805 28.738 0.021 0.000 1.314 18 Q HN 0.598 nan 8.270 nan 0.000 0.448 19 L N 1.986 123.217 121.223 0.014 0.000 2.453 19 L HA 0.102 4.442 4.340 -0.000 0.000 0.261 19 L C -0.038 176.848 176.870 0.028 0.000 1.179 19 L CA 0.559 55.412 54.840 0.021 0.000 0.813 19 L CB 0.658 42.735 42.059 0.030 0.000 1.110 19 L HN 0.658 nan 8.230 nan 0.000 0.466 20 D N 2.075 122.492 120.400 0.029 0.000 2.671 20 D HA 0.073 4.713 4.640 -0.000 0.000 0.228 20 D C 0.530 176.853 176.300 0.039 0.000 1.102 20 D CA 0.487 54.505 54.000 0.029 0.000 1.044 20 D CB 0.207 41.021 40.800 0.024 0.000 1.113 20 D HN 0.582 nan 8.370 nan 0.000 0.480 21 N N -0.534 118.193 118.700 0.045 0.000 2.489 21 N HA -0.095 4.645 4.740 -0.000 0.000 0.302 21 N C 1.125 176.674 175.510 0.064 0.000 1.028 21 N CA 1.052 54.139 53.050 0.061 0.000 1.764 21 N CB -0.195 38.332 38.487 0.067 0.000 2.226 21 N HN 0.231 nan 8.380 nan 0.000 1.198 22 G N 0.543 109.371 108.800 0.048 0.000 2.201 22 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.212 22 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.212 22 G C -0.316 174.603 174.900 0.033 0.000 0.994 22 G CA 0.122 45.247 45.100 0.041 0.000 0.644 22 G HN 0.346 nan 8.290 nan 0.000 0.508 23 L N 1.984 123.226 121.223 0.031 0.000 2.698 23 L HA 0.219 4.559 4.340 -0.000 0.000 0.272 23 L C 1.088 177.946 176.870 -0.020 0.000 1.154 23 L CA 0.037 54.872 54.840 -0.008 0.000 0.964 23 L CB 0.077 42.111 42.059 -0.041 0.000 1.272 23 L HN 0.259 nan 8.230 nan 0.000 0.483 24 R N 2.717 123.208 120.500 -0.016 0.000 2.543 24 R HA 0.308 4.648 4.340 -0.000 0.000 0.277 24 R C -0.663 175.619 176.300 -0.030 0.000 1.074 24 R CA -0.063 56.030 56.100 -0.011 0.000 1.076 24 R CB 1.313 31.611 30.300 -0.003 0.000 0.993 24 R HN 0.403 nan 8.270 nan 0.000 0.459 25 V N 2.688 122.601 119.914 -0.001 0.000 2.488 25 V HA 0.730 4.850 4.120 -0.000 0.000 0.293 25 V C -1.358 174.808 176.094 0.119 0.000 1.027 25 V CA -0.200 62.101 62.300 0.002 0.000 0.862 25 V CB 1.485 33.275 31.823 -0.055 0.000 1.008 25 V HN 0.905 nan 8.190 nan 0.000 0.428 26 A N 4.692 127.568 122.820 0.094 0.000 2.515 26 A HA 0.970 5.290 4.320 -0.000 0.000 0.298 26 A C -0.552 177.080 177.584 0.081 0.000 1.059 26 A CA -0.077 52.022 52.037 0.102 0.000 0.698 26 A CB 2.302 21.303 19.000 0.002 0.000 1.289 26 A HN 1.554 nan 8.150 nan 0.000 0.404 27 S N 0.962 116.696 115.700 0.058 0.000 2.571 27 S HA 0.629 5.098 4.470 -0.000 0.000 0.284 27 S C -1.066 173.515 174.600 -0.032 0.000 1.128 27 S CA -0.490 57.745 58.200 0.058 0.000 0.970 27 S CB 1.722 65.039 63.200 0.196 0.000 1.039 27 S HN 0.758 nan 8.310 nan 0.000 0.485 28 E N 2.324 122.509 120.200 -0.025 0.000 2.113 28 E HA 0.263 4.613 4.350 -0.000 0.000 0.273 28 E C -0.503 176.093 176.600 -0.006 0.000 0.924 28 E CA -0.403 55.981 56.400 -0.028 0.000 0.764 28 E CB 1.188 30.867 29.700 -0.034 0.000 1.104 28 E HN 0.792 nan 8.360 nan 0.000 0.406 29 Q N 2.719 122.517 119.800 -0.002 0.000 2.222 29 Q HA 0.523 4.863 4.340 -0.000 0.000 0.252 29 Q C -0.892 175.111 176.000 0.005 0.000 0.926 29 Q CA -0.495 55.315 55.803 0.012 0.000 0.899 29 Q CB 1.661 30.414 28.738 0.025 0.000 1.250 29 Q HN 0.423 nan 8.270 nan 0.000 0.441 30 S N 1.038 116.744 115.700 0.009 0.000 2.688 30 S HA 0.407 4.877 4.470 -0.000 0.000 0.275 30 S C -0.247 174.359 174.600 0.010 0.000 1.175 30 S CA -0.373 57.831 58.200 0.006 0.000 0.818 30 S CB 1.101 64.302 63.200 0.003 0.000 1.157 30 S HN 0.552 nan 8.310 nan 0.000 0.482 31 S N -0.095 115.610 115.700 0.008 0.000 2.528 31 S HA 0.180 4.650 4.470 -0.000 0.000 0.219 31 S C 0.649 175.256 174.600 0.012 0.000 0.985 31 S CA 0.140 58.346 58.200 0.010 0.000 0.914 31 S CB -0.386 62.819 63.200 0.008 0.000 0.776 31 S HN 0.648 nan 8.310 nan 0.000 0.526 32 Q N 1.881 121.688 119.800 0.012 0.000 2.369 32 Q HA 0.038 4.378 4.340 -0.000 0.000 0.295 32 Q C -2.062 173.949 176.000 0.018 0.000 1.075 32 Q CA -0.817 54.994 55.803 0.014 0.000 0.941 32 Q CB 0.459 29.205 28.738 0.014 0.000 1.260 32 Q HN 0.055 nan 8.270 nan 0.000 0.417 33 P HA 0.092 nan 4.420 nan 0.000 0.255 33 P C -0.928 176.388 177.300 0.028 0.000 1.357 33 P CA 0.331 63.444 63.100 0.022 0.000 0.839 33 P CB 0.670 32.382 31.700 0.020 0.000 1.356 34 T N -0.513 114.060 114.554 0.031 0.000 3.012 34 T HA 0.467 4.817 4.350 -0.000 0.000 0.330 34 T C -1.042 173.683 174.700 0.042 0.000 1.321 34 T CA -0.341 61.783 62.100 0.039 0.000 1.067 34 T CB 1.036 69.928 68.868 0.039 0.000 1.235 34 T HN 0.108 nan 8.240 nan 0.000 0.479 35 C N 0.873 120.206 119.300 0.055 0.000 3.285 35 C HA 0.988 5.448 4.460 -0.000 0.000 0.320 35 C C -0.631 174.408 174.990 0.082 0.000 1.411 35 C CA -0.644 58.410 59.018 0.060 0.000 1.429 35 C CB 1.317 29.093 27.740 0.061 0.000 1.812 35 C HN 0.806 nan 8.230 nan 0.000 0.454 36 T N 1.450 116.056 114.554 0.087 0.000 2.879 36 T HA 0.667 5.017 4.350 -0.000 0.000 0.290 36 T C -0.649 174.148 174.700 0.161 0.000 0.993 36 T CA -0.323 61.858 62.100 0.134 0.000 0.975 36 T CB 1.431 70.360 68.868 0.103 0.000 0.981 36 T HN 1.020 nan 8.240 nan 0.000 0.439 37 V N 1.156 121.201 119.914 0.218 0.000 2.680 37 V HA 1.051 5.171 4.120 -0.000 0.000 0.309 37 V C 0.541 176.858 176.094 0.372 0.000 1.052 37 V CA -0.385 62.067 62.300 0.253 0.000 0.908 37 V CB 1.193 33.129 31.823 0.188 0.000 1.001 37 V HN 1.163 nan 8.190 nan 0.000 0.431 38 G N 2.253 111.352 108.800 0.498 0.000 2.586 38 G HA2 0.417 4.376 3.960 -0.000 0.000 0.105 38 G HA3 0.417 4.376 3.960 -0.000 0.000 0.105 38 G C -1.478 173.671 174.900 0.416 0.000 1.129 38 G CA -0.031 45.282 45.100 0.354 0.000 1.127 38 G HN 0.820 nan 8.290 nan 0.000 0.532 39 V N 1.193 121.210 119.914 0.173 0.000 2.409 39 V HA 0.533 4.653 4.120 -0.000 0.000 0.291 39 V C -0.867 175.188 176.094 -0.065 0.000 1.020 39 V CA -0.433 61.960 62.300 0.154 0.000 0.848 39 V CB 1.574 33.487 31.823 0.151 0.000 0.990 39 V HN 0.514 nan 8.190 nan 0.000 0.430 40 W N 5.672 126.941 121.300 -0.052 0.000 2.376 40 W HA 0.633 5.293 4.660 -0.000 0.000 0.312 40 W C -0.681 175.773 176.519 -0.109 0.000 1.060 40 W CA -0.554 56.728 57.345 -0.104 0.000 1.221 40 W CB 1.856 31.252 29.460 -0.106 0.000 1.281 40 W HN 0.428 nan 8.180 nan 0.000 0.456 41 I N 2.981 123.518 120.570 -0.057 0.000 2.404 41 I HA 0.070 4.240 4.170 -0.000 0.000 0.293 41 I C 0.557 176.673 176.117 -0.001 0.000 0.992 41 I CA -0.614 60.620 61.300 -0.109 0.000 1.149 41 I CB 1.541 39.319 38.000 -0.371 0.000 1.315 41 I HN 0.149 nan 8.210 nan 0.000 0.446 42 D N 6.102 126.508 120.400 0.009 0.000 2.911 42 D HA 0.251 4.891 4.640 -0.000 0.000 0.233 42 D C -0.093 176.043 176.300 -0.273 0.000 1.134 42 D CA 0.412 54.421 54.000 0.015 0.000 1.011 42 D CB -0.006 40.822 40.800 0.046 0.000 1.174 42 D HN 0.582 nan 8.370 nan 0.000 0.440 43 A N -0.786 121.904 122.820 -0.218 0.000 2.539 43 A HA 0.824 5.143 4.320 -0.000 0.000 0.296 43 A C 0.327 177.908 177.584 -0.004 0.000 1.073 43 A CA -0.164 51.652 52.037 -0.369 0.000 0.700 43 A CB 2.122 20.965 19.000 -0.262 0.000 1.296 43 A HN 0.277 nan 8.150 nan 0.000 0.405 44 G N -1.026 107.852 108.800 0.130 0.000 2.899 44 G HA2 0.609 4.569 3.960 -0.000 0.000 0.137 44 G HA3 0.609 4.569 3.960 -0.000 0.000 0.137 44 G C 0.284 175.343 174.900 0.264 0.000 1.198 44 G CA 1.100 46.378 45.100 0.296 0.000 1.126 44 G HN 2.035 nan 8.290 nan 0.000 0.589 45 S N -2.212 113.635 115.700 0.245 0.000 3.763 45 S HA -0.012 4.458 4.470 -0.000 0.000 0.118 45 S C 1.646 176.253 174.600 0.012 0.000 0.813 45 S CA 1.033 59.295 58.200 0.103 0.000 1.439 45 S CB -0.978 62.242 63.200 0.033 0.000 1.237 45 S HN 0.499 nan 8.310 nan 0.000 0.332 46 R N -0.474 119.968 120.500 -0.097 0.000 2.372 46 R HA -0.165 4.175 4.340 -0.000 0.000 0.254 46 R C 0.930 177.053 176.300 -0.296 0.000 1.202 46 R CA 2.173 58.123 56.100 -0.251 0.000 1.042 46 R CB -0.314 29.749 30.300 -0.395 0.000 0.863 46 R HN 0.649 nan 8.270 nan 0.000 0.488 47 Y N -0.603 119.686 120.300 -0.018 0.000 2.507 47 Y HA 0.101 4.651 4.550 -0.000 0.000 0.263 47 Y C 0.765 176.718 175.900 0.087 0.000 1.093 47 Y CA -0.250 57.860 58.100 0.016 0.000 1.285 47 Y CB 0.417 38.806 38.460 -0.118 0.000 1.115 47 Y HN 0.089 nan 8.280 nan 0.000 0.533 48 E N -0.583 119.757 120.200 0.233 0.000 2.312 48 E HA 0.349 4.699 4.350 -0.000 0.000 0.259 48 E C -0.025 176.641 176.600 0.111 0.000 1.122 48 E CA -0.123 56.401 56.400 0.207 0.000 0.922 48 E CB 1.570 31.377 29.700 0.178 0.000 1.109 48 E HN -0.069 nan 8.360 nan 0.000 0.442 49 S N 0.196 115.953 115.700 0.095 0.000 2.566 49 S HA 0.030 4.500 4.470 -0.000 0.000 0.166 49 S C 1.005 175.626 174.600 0.035 0.000 0.811 49 S CA 0.156 58.395 58.200 0.064 0.000 0.940 49 S CB 0.072 63.312 63.200 0.068 0.000 0.768 49 S HN 0.659 nan 8.310 nan 0.000 0.534 50 E N 0.021 120.237 120.200 0.028 0.000 3.590 50 E HA 0.198 4.548 4.350 -0.000 0.000 0.223 50 E C -0.328 176.280 176.600 0.013 0.000 1.195 50 E CA -0.149 56.261 56.400 0.017 0.000 1.670 50 E CB 0.353 30.059 29.700 0.010 0.000 1.578 50 E HN 0.117 nan 8.360 nan 0.000 0.763 51 K N 2.747 123.154 120.400 0.011 0.000 2.464 51 K HA -0.234 4.086 4.320 -0.000 0.000 0.265 51 K C 0.436 177.048 176.600 0.020 0.000 1.055 51 K CA 1.340 57.633 56.287 0.010 0.000 1.161 51 K CB -0.091 32.415 32.500 0.011 0.000 0.804 51 K HN 0.412 nan 8.250 nan 0.000 0.486 52 N N 2.380 121.083 118.700 0.005 0.000 2.965 52 N HA -0.336 4.404 4.740 -0.000 0.000 0.232 52 N C -0.848 174.667 175.510 0.009 0.000 0.913 52 N CA 1.493 54.546 53.050 0.007 0.000 0.981 52 N CB -1.853 36.663 38.487 0.049 0.000 1.077 52 N HN 0.863 nan 8.380 nan 0.000 0.589 53 N N 0.364 119.074 118.700 0.018 0.000 2.395 53 N HA 0.261 5.001 4.740 -0.000 0.000 0.246 53 N C 1.402 176.914 175.510 0.004 0.000 1.246 53 N CA 2.014 55.070 53.050 0.010 0.000 0.879 53 N CB -0.159 38.334 38.487 0.010 0.000 1.098 53 N HN 0.610 nan 8.380 nan 0.000 0.444 54 G N 1.201 110.008 108.800 0.011 0.000 2.179 54 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.260 54 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.260 54 G C 0.841 175.791 174.900 0.082 0.000 0.977 54 G CA 0.650 45.793 45.100 0.071 0.000 0.641 54 G HN 0.828 nan 8.290 nan 0.000 0.533 55 A N 0.293 123.052 122.820 -0.100 0.000 1.855 55 A HA 0.362 4.682 4.320 -0.000 0.000 0.215 55 A C 2.787 180.150 177.584 -0.368 0.000 1.191 55 A CA 2.287 54.152 52.037 -0.287 0.000 0.613 55 A CB -1.058 17.627 19.000 -0.525 0.000 0.829 55 A HN 1.562 nan 8.150 nan 0.000 0.442 56 G N -1.960 106.542 108.800 -0.496 0.000 2.418 56 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 56 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 56 G C 1.513 176.433 174.900 0.034 0.000 1.158 56 G CA 1.194 46.137 45.100 -0.261 0.000 0.771 56 G HN 0.470 nan 8.290 nan 0.000 0.545 57 Y N 0.431 120.713 120.300 -0.029 0.000 2.102 57 Y HA -0.189 4.361 4.550 -0.000 0.000 0.280 57 Y C 2.374 178.326 175.900 0.087 0.000 1.178 57 Y CA 1.674 59.797 58.100 0.039 0.000 1.146 57 Y CB -0.567 37.902 38.460 0.014 0.000 0.968 57 Y HN 0.224 nan 8.280 nan 0.000 0.504 58 F N -1.224 118.665 119.950 -0.101 0.000 2.186 58 F HA -0.221 4.305 4.527 -0.000 0.000 0.299 58 F C 2.191 177.911 175.800 -0.132 0.000 1.090 58 F CA 1.186 59.086 58.000 -0.167 0.000 1.307 58 F CB -0.168 38.749 39.000 -0.139 0.000 1.019 58 F HN -0.146 nan 8.300 nan 0.000 0.489 59 V N -0.043 119.935 119.914 0.107 0.000 2.295 59 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 59 V C 2.314 178.420 176.094 0.019 0.000 1.049 59 V CA 2.201 64.529 62.300 0.047 0.000 1.024 59 V CB -0.718 31.106 31.823 0.001 0.000 0.648 59 V HN 0.344 nan 8.190 nan 0.000 0.447 60 E N -0.504 119.702 120.200 0.009 0.000 2.114 60 E HA -0.299 4.051 4.350 -0.000 0.000 0.199 60 E C 2.206 178.642 176.600 -0.274 0.000 1.008 60 E CA 1.821 58.161 56.400 -0.100 0.000 0.810 60 E CB -0.212 29.383 29.700 -0.175 0.000 0.739 60 E HN 0.714 nan 8.360 nan 0.000 0.456 61 H N -0.456 118.397 119.070 -0.361 0.000 2.387 61 H HA -0.106 4.450 4.556 -0.000 0.000 0.299 61 H C 2.200 177.404 175.328 -0.208 0.000 1.090 61 H CA 1.240 57.086 56.048 -0.337 0.000 1.332 61 H CB 0.176 29.655 29.762 -0.471 0.000 1.386 61 H HN 0.215 nan 8.280 nan 0.000 0.516 62 L N -0.240 120.968 121.223 -0.025 0.000 2.477 62 L HA 0.092 4.432 4.340 -0.000 0.000 0.220 62 L C 2.671 179.506 176.870 -0.058 0.000 1.106 62 L CA 0.341 55.178 54.840 -0.005 0.000 0.851 62 L CB -0.002 42.092 42.059 0.059 0.000 0.994 62 L HN 0.134 nan 8.230 nan 0.000 0.462 63 A N -0.335 122.375 122.820 -0.185 0.000 2.070 63 A HA -0.084 4.236 4.320 -0.000 0.000 0.220 63 A C 1.832 179.412 177.584 -0.006 0.000 1.159 63 A CA 1.291 53.163 52.037 -0.275 0.000 0.656 63 A CB -0.482 18.119 19.000 -0.665 0.000 0.800 63 A HN 0.488 nan 8.150 nan 0.000 0.453 64 F N -1.846 118.041 119.950 -0.106 0.000 2.688 64 F HA 0.177 4.704 4.527 -0.000 0.000 0.310 64 F C 1.368 177.121 175.800 -0.078 0.000 1.098 64 F CA -0.434 57.504 58.000 -0.103 0.000 1.228 64 F CB 0.693 39.636 39.000 -0.095 0.000 1.042 64 F HN 0.037 nan 8.300 nan 0.000 0.557 65 K N 0.724 121.188 120.400 0.107 0.000 2.354 65 K HA 0.370 4.689 4.320 -0.000 0.000 0.194 65 K C 0.712 177.324 176.600 0.021 0.000 1.038 65 K CA 0.385 56.702 56.287 0.049 0.000 1.052 65 K CB 1.381 33.901 32.500 0.033 0.000 0.861 65 K HN 0.286 nan 8.250 nan 0.000 0.535 66 G N 0.965 109.775 108.800 0.017 0.000 2.361 66 G HA2 0.134 4.094 3.960 -0.000 0.000 0.299 66 G HA3 0.134 4.094 3.960 -0.000 0.000 0.299 66 G C -0.996 173.896 174.900 -0.013 0.000 1.544 66 G CA -0.698 44.400 45.100 -0.003 0.000 0.860 66 G HN -0.021 nan 8.290 nan 0.000 0.610 67 T N -1.470 113.068 114.554 -0.026 0.000 2.952 67 T HA 0.571 4.921 4.350 -0.000 0.000 0.286 67 T C 1.319 175.999 174.700 -0.034 0.000 1.024 67 T CA -0.394 61.684 62.100 -0.036 0.000 1.029 67 T CB 2.085 70.923 68.868 -0.050 0.000 1.094 67 T HN 0.509 nan 8.240 nan 0.000 0.515 68 K N 0.947 121.326 120.400 -0.036 0.000 2.089 68 K HA -0.192 4.128 4.320 -0.000 0.000 0.210 68 K C 1.826 178.406 176.600 -0.034 0.000 1.048 68 K CA 2.400 58.667 56.287 -0.033 0.000 0.926 68 K CB -0.425 32.054 32.500 -0.035 0.000 0.714 68 K HN 0.666 nan 8.250 nan 0.000 0.448 69 N N -0.501 118.174 118.700 -0.041 0.000 2.424 69 N HA 0.004 4.744 4.740 -0.000 0.000 0.178 69 N C 0.032 175.518 175.510 -0.041 0.000 1.060 69 N CA 0.386 53.411 53.050 -0.041 0.000 0.901 69 N CB 0.395 38.854 38.487 -0.047 0.000 0.979 69 N HN -0.059 nan 8.380 nan 0.000 0.451 70 R N 0.698 121.172 120.500 -0.043 0.000 2.585 70 R HA 0.272 4.612 4.340 -0.000 0.000 0.278 70 R C -2.803 173.476 176.300 -0.035 0.000 1.663 70 R CA -1.593 54.481 56.100 -0.043 0.000 1.592 70 R CB 1.389 31.656 30.300 -0.055 0.000 1.200 70 R HN 0.069 nan 8.270 nan 0.000 0.611 71 P HA 0.227 nan 4.420 nan 0.000 0.284 71 P C 0.644 177.932 177.300 -0.020 0.000 1.253 71 P CA 0.385 63.471 63.100 -0.023 0.000 0.800 71 P CB 1.505 33.193 31.700 -0.020 0.000 0.961 72 G N 4.108 112.899 108.800 -0.015 0.000 2.583 72 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.292 72 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.292 72 G C 0.609 175.499 174.900 -0.016 0.000 1.203 72 G CA 0.635 45.728 45.100 -0.012 0.000 0.987 72 G HN 0.726 nan 8.290 nan 0.000 0.554 73 N N 1.768 120.456 118.700 -0.020 0.000 2.383 73 N HA 0.483 5.223 4.740 -0.000 0.000 0.192 73 N C 1.999 177.486 175.510 -0.039 0.000 1.141 73 N CA 1.776 54.810 53.050 -0.028 0.000 0.851 73 N CB -0.242 38.230 38.487 -0.025 0.000 0.976 73 N HN 1.296 nan 8.380 nan 0.000 0.465 74 A N 1.142 123.940 122.820 -0.037 0.000 1.915 74 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 74 A C 2.074 179.622 177.584 -0.059 0.000 1.198 74 A CA 1.857 53.868 52.037 -0.044 0.000 0.647 74 A CB -0.949 18.027 19.000 -0.039 0.000 0.825 74 A HN 0.414 nan 8.150 nan 0.000 0.456 75 L N -0.500 120.683 121.223 -0.067 0.000 1.994 75 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 75 L C 2.238 179.037 176.870 -0.120 0.000 1.071 75 L CA 2.748 57.531 54.840 -0.095 0.000 0.745 75 L CB -0.777 41.222 42.059 -0.101 0.000 0.892 75 L HN 0.564 nan 8.230 nan 0.000 0.431 76 E N -0.262 119.870 120.200 -0.114 0.000 2.068 76 E HA -0.344 4.006 4.350 -0.000 0.000 0.207 76 E C 2.238 178.777 176.600 -0.102 0.000 1.032 76 E CA 2.190 58.519 56.400 -0.117 0.000 0.839 76 E CB -0.162 29.489 29.700 -0.081 0.000 0.758 76 E HN 0.445 nan 8.360 nan 0.000 0.457 77 K N 0.052 120.406 120.400 -0.077 0.000 2.152 77 K HA -0.214 4.106 4.320 -0.000 0.000 0.206 77 K C 2.096 178.653 176.600 -0.072 0.000 1.048 77 K CA 1.279 57.526 56.287 -0.066 0.000 0.933 77 K CB -0.048 32.422 32.500 -0.051 0.000 0.721 77 K HN 0.166 nan 8.250 nan 0.000 0.447 78 E N -0.100 120.052 120.200 -0.080 0.000 2.033 78 E HA -0.118 4.231 4.350 -0.000 0.000 0.189 78 E C 1.923 178.468 176.600 -0.091 0.000 0.979 78 E CA 0.713 57.066 56.400 -0.079 0.000 0.802 78 E CB 0.263 29.915 29.700 -0.080 0.000 0.763 78 E HN -0.021 nan 8.360 nan 0.000 0.449 79 V N 1.614 121.457 119.914 -0.118 0.000 2.287 79 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 79 V C 2.064 178.074 176.094 -0.140 0.000 1.053 79 V CA 2.101 64.318 62.300 -0.138 0.000 1.027 79 V CB -0.505 31.204 31.823 -0.190 0.000 0.646 79 V HN 0.300 nan 8.190 nan 0.000 0.447 80 E N -0.085 120.033 120.200 -0.136 0.000 2.077 80 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 80 E C 2.345 178.884 176.600 -0.102 0.000 0.989 80 E CA 1.555 57.875 56.400 -0.133 0.000 0.800 80 E CB -0.232 29.404 29.700 -0.107 0.000 0.746 80 E HN 0.470 nan 8.360 nan 0.000 0.452 81 S N 0.630 116.283 115.700 -0.079 0.000 2.515 81 S HA -0.051 4.419 4.470 -0.000 0.000 0.231 81 S C 1.748 176.317 174.600 -0.051 0.000 0.987 81 S CA 0.715 58.880 58.200 -0.058 0.000 0.936 81 S CB -0.005 63.166 63.200 -0.048 0.000 0.766 81 S HN 0.333 nan 8.310 nan 0.000 0.528 82 M N -1.440 118.124 119.600 -0.060 0.000 2.356 82 M HA 0.474 4.954 4.480 -0.000 0.000 0.262 82 M C 1.055 177.324 176.300 -0.051 0.000 1.097 82 M CA 0.394 55.667 55.300 -0.046 0.000 0.991 82 M CB 0.189 32.765 32.600 -0.039 0.000 1.450 82 M HN 0.114 nan 8.290 nan 0.000 0.495 83 G N 1.356 110.107 108.800 -0.082 0.000 2.155 83 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.257 83 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.257 83 G C 0.234 175.052 174.900 -0.137 0.000 0.983 83 G CA 0.217 45.258 45.100 -0.098 0.000 0.676 83 G HN 0.981 nan 8.290 nan 0.000 0.528 84 A N 0.361 123.099 122.820 -0.138 0.000 2.386 84 A HA 0.628 4.948 4.320 -0.000 0.000 0.248 84 A C 0.368 177.769 177.584 -0.304 0.000 1.082 84 A CA -0.213 51.755 52.037 -0.116 0.000 0.789 84 A CB 0.278 19.241 19.000 -0.061 0.000 1.025 84 A HN 0.489 nan 8.150 nan 0.000 0.490 85 H N 0.582 119.655 119.070 0.004 0.000 2.458 85 H HA 0.479 5.035 4.556 -0.000 0.000 0.330 85 H C -1.159 174.147 175.328 -0.037 0.000 1.111 85 H CA -0.358 55.686 56.048 -0.006 0.000 1.245 85 H CB 1.679 31.465 29.762 0.040 0.000 1.456 85 H HN 0.491 nan 8.280 nan 0.000 0.488 86 L N 3.527 124.719 121.223 -0.052 0.000 2.341 86 L HA 0.385 4.725 4.340 -0.000 0.000 0.278 86 L C -0.587 176.182 176.870 -0.169 0.000 1.005 86 L CA -0.255 54.465 54.840 -0.200 0.000 0.818 86 L CB 1.153 42.933 42.059 -0.465 0.000 1.259 86 L HN 0.620 nan 8.230 nan 0.000 0.418 87 N N 3.118 121.689 118.700 -0.216 0.000 2.708 87 N HA 0.865 5.605 4.740 -0.000 0.000 0.257 87 N C -2.049 173.273 175.510 -0.313 0.000 1.373 87 N CA -0.182 52.724 53.050 -0.239 0.000 0.843 87 N CB 2.538 40.775 38.487 -0.417 0.000 1.503 87 N HN 0.802 nan 8.380 nan 0.000 0.504 88 A N 0.909 123.614 122.820 -0.192 0.000 2.594 88 A HA 0.659 4.979 4.320 -0.000 0.000 0.295 88 A C -2.088 175.444 177.584 -0.087 0.000 1.071 88 A CA -0.573 51.303 52.037 -0.269 0.000 0.685 88 A CB 1.046 19.902 19.000 -0.240 0.000 1.285 88 A HN 0.646 nan 8.150 nan 0.000 0.405 89 Y N -0.951 119.227 120.300 -0.203 0.000 2.588 89 Y HA 0.843 5.392 4.550 -0.000 0.000 0.343 89 Y C -0.404 175.419 175.900 -0.129 0.000 1.065 89 Y CA -0.993 57.055 58.100 -0.087 0.000 1.038 89 Y CB 1.653 40.139 38.460 0.044 0.000 1.297 89 Y HN 0.615 nan 8.280 nan 0.000 0.467 90 S N 1.096 116.920 115.700 0.205 0.000 2.532 90 S HA 0.652 5.122 4.470 -0.000 0.000 0.299 90 S C -0.419 174.337 174.600 0.261 0.000 1.105 90 S CA -0.580 57.730 58.200 0.183 0.000 1.018 90 S CB 1.493 64.779 63.200 0.144 0.000 1.021 90 S HN 1.018 nan 8.310 nan 0.000 0.483 91 T N -0.365 114.360 114.554 0.286 0.000 2.889 91 T HA 0.479 4.829 4.350 -0.000 0.000 0.278 91 T C 0.950 175.749 174.700 0.164 0.000 0.995 91 T CA -1.016 61.226 62.100 0.237 0.000 0.966 91 T CB 0.776 69.849 68.868 0.342 0.000 1.237 91 T HN 0.451 nan 8.240 nan 0.000 0.591 92 R N -0.163 120.410 120.500 0.122 0.000 2.249 92 R HA 0.008 4.348 4.340 -0.000 0.000 0.230 92 R C 1.724 178.036 176.300 0.021 0.000 1.121 92 R CA 1.490 57.592 56.100 0.002 0.000 0.997 92 R CB -0.037 30.158 30.300 -0.176 0.000 0.867 92 R HN 0.751 nan 8.270 nan 0.000 0.465 93 E N -1.660 118.590 120.200 0.083 0.000 2.639 93 E HA 0.108 4.458 4.350 -0.000 0.000 0.225 93 E C -0.902 175.564 176.600 -0.222 0.000 0.921 93 E CA -0.005 56.352 56.400 -0.071 0.000 1.184 93 E CB 0.759 30.377 29.700 -0.136 0.000 1.160 93 E HN 0.285 nan 8.360 nan 0.000 0.547 94 H N -1.039 118.175 119.070 0.241 0.000 3.099 94 H HA 0.271 4.827 4.556 -0.000 0.000 0.342 94 H C -1.366 174.005 175.328 0.072 0.000 1.054 94 H CA -0.725 55.427 56.048 0.173 0.000 1.328 94 H CB 2.065 31.992 29.762 0.274 0.000 1.876 94 H HN -0.138 nan 8.280 nan 0.000 0.495 95 T N 1.995 116.554 114.554 0.009 0.000 2.856 95 T HA 0.773 5.123 4.350 -0.000 0.000 0.283 95 T C -0.592 173.691 174.700 -0.694 0.000 1.008 95 T CA -0.734 61.180 62.100 -0.311 0.000 0.997 95 T CB 1.630 70.338 68.868 -0.267 0.000 0.992 95 T HN 0.646 nan 8.240 nan 0.000 0.454 96 A N 2.535 124.645 122.820 -1.184 0.000 2.393 96 A HA 0.793 5.113 4.320 -0.000 0.000 0.306 96 A C -1.827 174.994 177.584 -1.272 0.000 1.050 96 A CA -0.794 50.327 52.037 -1.527 0.000 0.724 96 A CB 1.021 18.688 19.000 -2.223 0.000 1.248 96 A HN 0.839 nan 8.150 nan 0.000 0.424 97 Y N 1.271 121.186 120.300 -0.642 0.000 2.350 97 Y HA 0.580 5.130 4.550 -0.000 0.000 0.338 97 Y C -0.520 175.248 175.900 -0.220 0.000 0.961 97 Y CA -0.555 57.351 58.100 -0.323 0.000 1.100 97 Y CB 1.712 40.133 38.460 -0.066 0.000 1.179 97 Y HN 0.727 nan 8.280 nan 0.000 0.454 98 Y N 0.866 121.182 120.300 0.027 0.000 2.524 98 Y HA 0.839 5.388 4.550 -0.000 0.000 0.347 98 Y C -1.495 174.469 175.900 0.107 0.000 1.005 98 Y CA -2.183 55.955 58.100 0.062 0.000 1.025 98 Y CB 1.190 39.712 38.460 0.103 0.000 1.275 98 Y HN 0.416 nan 8.280 nan 0.000 0.460 99 I N 3.601 124.347 120.570 0.293 0.000 2.378 99 I HA 0.399 4.569 4.170 -0.000 0.000 0.291 99 I C -0.740 175.530 176.117 0.255 0.000 0.992 99 I CA -1.070 60.346 61.300 0.192 0.000 1.154 99 I CB 1.790 39.840 38.000 0.084 0.000 1.315 99 I HN 0.581 nan 8.210 nan 0.000 0.448 100 K N 5.586 126.140 120.400 0.257 0.000 2.248 100 K HA 0.740 5.060 4.320 -0.000 0.000 0.281 100 K C -0.511 176.182 176.600 0.155 0.000 1.054 100 K CA -0.261 56.153 56.287 0.212 0.000 0.903 100 K CB 1.612 34.253 32.500 0.236 0.000 1.077 100 K HN 0.751 nan 8.250 nan 0.000 0.474 101 A N 2.864 125.752 122.820 0.114 0.000 2.556 101 A HA 0.462 4.782 4.320 -0.000 0.000 0.294 101 A C -1.167 176.456 177.584 0.065 0.000 1.091 101 A CA -0.886 51.196 52.037 0.075 0.000 0.704 101 A CB 0.735 19.768 19.000 0.055 0.000 1.300 101 A HN 0.525 nan 8.150 nan 0.000 0.406 102 L N 0.871 122.123 121.223 0.048 0.000 2.605 102 L HA -0.012 4.328 4.340 -0.000 0.000 0.296 102 L C 1.730 178.623 176.870 0.038 0.000 1.255 102 L CA 1.148 56.011 54.840 0.038 0.000 0.879 102 L CB 0.226 42.301 42.059 0.027 0.000 1.124 102 L HN 0.802 nan 8.230 nan 0.000 0.507 103 S N 1.411 117.132 115.700 0.036 0.000 2.436 103 S HA -0.111 4.359 4.470 -0.000 0.000 0.228 103 S C 1.539 176.158 174.600 0.032 0.000 1.014 103 S CA 1.134 59.355 58.200 0.037 0.000 0.950 103 S CB -0.110 63.110 63.200 0.033 0.000 0.784 103 S HN 0.759 nan 8.310 nan 0.000 0.504 104 K N 1.127 121.543 120.400 0.027 0.000 2.360 104 K HA -0.028 4.292 4.320 -0.000 0.000 0.201 104 K C 0.381 176.994 176.600 0.023 0.000 1.046 104 K CA 1.480 57.781 56.287 0.023 0.000 0.945 104 K CB -0.059 32.451 32.500 0.018 0.000 0.750 104 K HN 0.069 nan 8.250 nan 0.000 0.464 105 D N 0.329 120.744 120.400 0.024 0.000 2.363 105 D HA 0.027 4.666 4.640 -0.000 0.000 0.214 105 D C 1.261 177.578 176.300 0.028 0.000 1.093 105 D CA -0.021 53.991 54.000 0.020 0.000 0.837 105 D CB 0.308 41.117 40.800 0.014 0.000 0.948 105 D HN 0.143 nan 8.370 nan 0.000 0.507 106 L N 1.164 122.410 121.223 0.040 0.000 2.127 106 L HA -0.057 4.283 4.340 -0.000 0.000 0.211 106 L C -0.942 175.963 176.870 0.059 0.000 1.089 106 L CA 1.792 56.664 54.840 0.053 0.000 0.757 106 L CB -0.796 41.297 42.059 0.057 0.000 0.899 106 L HN -0.046 nan 8.230 nan 0.000 0.434 107 P HA -0.231 nan 4.420 nan 0.000 0.213 107 P C 1.409 178.724 177.300 0.025 0.000 1.170 107 P CA 1.504 64.644 63.100 0.067 0.000 0.902 107 P CB 0.006 31.741 31.700 0.059 0.000 0.789 108 K N -0.520 119.879 120.400 -0.001 0.000 2.217 108 K HA 0.016 4.336 4.320 -0.000 0.000 0.202 108 K C 1.855 178.424 176.600 -0.051 0.000 1.051 108 K CA 1.260 57.522 56.287 -0.043 0.000 0.952 108 K CB -1.092 31.386 32.500 -0.036 0.000 0.736 108 K HN -0.055 nan 8.250 nan 0.000 0.453 109 A N 0.036 122.851 122.820 -0.009 0.000 1.845 109 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 109 A C 2.257 179.859 177.584 0.029 0.000 1.195 109 A CA 1.990 54.034 52.037 0.012 0.000 0.616 109 A CB -0.954 18.075 19.000 0.049 0.000 0.832 109 A HN 0.083 nan 8.150 nan 0.000 0.443 110 V N 0.145 120.098 119.914 0.065 0.000 2.343 110 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 110 V C 2.527 178.635 176.094 0.023 0.000 1.051 110 V CA 2.295 64.682 62.300 0.145 0.000 1.036 110 V CB -0.836 31.118 31.823 0.218 0.000 0.654 110 V HN 0.695 nan 8.190 nan 0.000 0.451 111 E N 0.063 120.134 120.200 -0.215 0.000 2.070 111 E HA -0.250 4.100 4.350 -0.000 0.000 0.197 111 E C 2.191 178.616 176.600 -0.293 0.000 1.004 111 E CA 1.723 57.803 56.400 -0.534 0.000 0.805 111 E CB -0.153 29.223 29.700 -0.540 0.000 0.744 111 E HN 0.570 nan 8.360 nan 0.000 0.451 112 L N 0.333 121.457 121.223 -0.166 0.000 2.141 112 L HA -0.173 4.167 4.340 -0.000 0.000 0.209 112 L C 2.536 179.349 176.870 -0.095 0.000 1.094 112 L CA 0.515 55.278 54.840 -0.129 0.000 0.763 112 L CB -0.271 41.719 42.059 -0.115 0.000 0.908 112 L HN 0.193 nan 8.230 nan 0.000 0.437 113 L N -0.428 120.779 121.223 -0.027 0.000 2.072 113 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 113 L C 2.920 179.800 176.870 0.018 0.000 1.079 113 L CA 1.031 55.911 54.840 0.066 0.000 0.752 113 L CB -0.697 41.488 42.059 0.210 0.000 0.906 113 L HN 0.193 nan 8.230 nan 0.000 0.436 114 A N 0.144 122.867 122.820 -0.162 0.000 1.881 114 A HA -0.371 3.949 4.320 -0.000 0.000 0.219 114 A C 2.068 179.443 177.584 -0.349 0.000 1.215 114 A CA 2.563 54.204 52.037 -0.660 0.000 0.648 114 A CB -0.919 17.617 19.000 -0.773 0.000 0.832 114 A HN 0.433 nan 8.150 nan 0.000 0.455 115 D N -0.476 119.784 120.400 -0.234 0.000 2.123 115 D HA -0.112 4.528 4.640 -0.000 0.000 0.196 115 D C 1.812 178.045 176.300 -0.112 0.000 0.992 115 D CA 1.421 55.327 54.000 -0.157 0.000 0.833 115 D CB -0.279 40.440 40.800 -0.134 0.000 0.954 115 D HN 0.494 nan 8.370 nan 0.000 0.455 116 I N -0.275 120.238 120.570 -0.095 0.000 2.179 116 I HA -0.203 3.967 4.170 -0.000 0.000 0.242 116 I C 2.388 178.447 176.117 -0.097 0.000 1.088 116 I CA 0.655 61.903 61.300 -0.086 0.000 1.357 116 I CB -0.085 37.879 38.000 -0.060 0.000 1.051 116 I HN -0.093 nan 8.210 nan 0.000 0.409 117 V N -0.283 119.601 119.914 -0.049 0.000 3.573 117 V HA -0.092 4.028 4.120 -0.000 0.000 0.270 117 V C 1.560 177.742 176.094 0.146 0.000 1.221 117 V CA 1.462 63.816 62.300 0.090 0.000 1.163 117 V CB -0.180 31.748 31.823 0.175 0.000 0.847 117 V HN 0.500 nan 8.190 nan 0.000 0.468 118 Q N -1.234 118.574 119.800 0.013 0.000 2.427 118 Q HA 0.234 4.574 4.340 -0.000 0.000 0.249 118 Q C 0.644 176.619 176.000 -0.042 0.000 0.783 118 Q CA 0.311 56.106 55.803 -0.014 0.000 0.978 118 Q CB 0.574 29.258 28.738 -0.089 0.000 1.273 118 Q HN 0.597 nan 8.270 nan 0.000 0.524 119 N N 0.060 118.724 118.700 -0.060 0.000 2.467 119 N HA 0.189 4.929 4.740 -0.000 0.000 0.278 119 N C -1.026 174.453 175.510 -0.053 0.000 1.306 119 N CA -0.219 52.795 53.050 -0.060 0.000 0.905 119 N CB 1.236 39.682 38.487 -0.068 0.000 1.236 119 N HN 0.066 nan 8.380 nan 0.000 0.509 120 C N 1.529 120.797 119.300 -0.053 0.000 2.459 120 C HA 0.164 4.624 4.460 -0.000 0.000 0.358 120 C C 0.951 175.916 174.990 -0.041 0.000 1.162 120 C CA -0.391 58.596 59.018 -0.053 0.000 1.559 120 C CB -1.925 25.771 27.740 -0.073 0.000 2.132 120 C HN 0.372 nan 8.230 nan 0.000 0.536 121 S N 6.132 121.813 115.700 -0.032 0.000 3.007 121 S HA -0.008 4.462 4.470 -0.000 0.000 0.312 121 S C 0.437 175.028 174.600 -0.015 0.000 1.068 121 S CA 0.244 58.430 58.200 -0.023 0.000 1.597 121 S CB -0.652 62.536 63.200 -0.019 0.000 1.495 121 S HN 0.731 nan 8.310 nan 0.000 0.612 122 L N 3.618 124.830 121.223 -0.018 0.000 2.391 122 L HA 0.161 4.501 4.340 -0.000 0.000 0.249 122 L C 0.820 177.689 176.870 -0.002 0.000 1.308 122 L CA 0.068 54.903 54.840 -0.008 0.000 1.209 122 L CB -0.200 41.846 42.059 -0.022 0.000 1.401 122 L HN 0.359 nan 8.230 nan 0.000 0.416 123 E N 1.087 121.290 120.200 0.006 0.000 2.316 123 E HA 0.006 4.356 4.350 -0.000 0.000 0.275 123 E C 0.253 176.861 176.600 0.013 0.000 1.029 123 E CA -0.180 56.223 56.400 0.004 0.000 0.871 123 E CB 1.396 31.098 29.700 0.004 0.000 1.022 123 E HN 0.370 nan 8.360 nan 0.000 0.418 124 D N 1.803 122.207 120.400 0.005 0.000 2.117 124 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 124 D C 1.848 178.159 176.300 0.019 0.000 0.987 124 D CA 1.617 55.621 54.000 0.007 0.000 0.829 124 D CB 0.013 40.811 40.800 -0.003 0.000 0.961 124 D HN 0.442 nan 8.370 nan 0.000 0.460 125 S N 1.007 116.716 115.700 0.015 0.000 2.390 125 S HA -0.286 4.184 4.470 -0.000 0.000 0.234 125 S C 1.889 176.506 174.600 0.029 0.000 1.063 125 S CA 1.211 59.422 58.200 0.018 0.000 1.108 125 S CB -0.502 62.704 63.200 0.011 0.000 0.975 125 S HN 0.203 nan 8.310 nan 0.000 0.442 126 Q N 0.663 120.483 119.800 0.033 0.000 2.049 126 Q HA 0.077 4.417 4.340 -0.000 0.000 0.198 126 Q C 2.375 178.424 176.000 0.081 0.000 0.971 126 Q CA 1.156 56.985 55.803 0.044 0.000 0.833 126 Q CB -0.544 28.217 28.738 0.037 0.000 0.896 126 Q HN 0.709 nan 8.270 nan 0.000 0.434 127 I N 0.720 121.359 120.570 0.116 0.000 2.335 127 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 127 I C 1.331 177.593 176.117 0.243 0.000 1.129 127 I CA 1.683 63.131 61.300 0.247 0.000 1.402 127 I CB -0.224 37.884 38.000 0.180 0.000 1.069 127 I HN 0.033 nan 8.210 nan 0.000 0.424 128 E N 1.537 121.809 120.200 0.121 0.000 2.153 128 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 128 E C 2.197 178.833 176.600 0.060 0.000 0.988 128 E CA 1.217 57.670 56.400 0.088 0.000 0.811 128 E CB -0.102 29.628 29.700 0.049 0.000 0.746 128 E HN 0.534 nan 8.360 nan 0.000 0.466 129 K N 0.190 120.615 120.400 0.043 0.000 2.103 129 K HA -0.084 4.236 4.320 -0.000 0.000 0.204 129 K C 1.733 178.321 176.600 -0.021 0.000 1.052 129 K CA 0.959 57.254 56.287 0.013 0.000 0.945 129 K CB 0.062 32.569 32.500 0.012 0.000 0.722 129 K HN 0.040 nan 8.250 nan 0.000 0.443 130 E N 0.796 120.967 120.200 -0.049 0.000 2.216 130 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 130 E C 1.918 178.276 176.600 -0.403 0.000 0.988 130 E CA 0.610 56.881 56.400 -0.215 0.000 0.834 130 E CB -0.141 29.381 29.700 -0.297 0.000 0.772 130 E HN 0.337 nan 8.360 nan 0.000 0.479 131 R N 1.205 121.585 120.500 -0.199 0.000 2.105 131 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 131 R C 1.071 177.318 176.300 -0.088 0.000 1.135 131 R CA 1.727 57.767 56.100 -0.100 0.000 0.967 131 R CB -0.191 30.254 30.300 0.241 0.000 0.861 131 R HN -0.043 nan 8.270 nan 0.000 0.442 132 D N 0.690 121.057 120.400 -0.054 0.000 2.103 132 D HA -0.069 4.571 4.640 -0.000 0.000 0.199 132 D C 2.186 178.458 176.300 -0.047 0.000 0.978 132 D CA 1.387 55.366 54.000 -0.034 0.000 0.829 132 D CB -0.166 40.628 40.800 -0.010 0.000 0.981 132 D HN 0.114 nan 8.370 nan 0.000 0.464 133 V N 1.654 121.531 119.914 -0.062 0.000 2.250 133 V HA -0.280 3.840 4.120 -0.000 0.000 0.250 133 V C 2.560 178.621 176.094 -0.054 0.000 1.060 133 V CA 1.467 63.746 62.300 -0.036 0.000 1.030 133 V CB -0.548 31.276 31.823 0.001 0.000 0.643 133 V HN 0.198 nan 8.190 nan 0.000 0.445 134 I N -0.625 119.814 120.570 -0.217 0.000 2.252 134 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 134 I C 2.332 178.415 176.117 -0.057 0.000 1.102 134 I CA 1.450 62.624 61.300 -0.210 0.000 1.385 134 I CB -0.334 37.388 38.000 -0.463 0.000 1.064 134 I HN 0.255 nan 8.210 nan 0.000 0.414 135 L N -0.133 121.057 121.223 -0.056 0.000 2.083 135 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 135 L C 2.646 179.516 176.870 0.001 0.000 1.083 135 L CA 1.066 55.898 54.840 -0.014 0.000 0.752 135 L CB -0.555 41.501 42.059 -0.005 0.000 0.899 135 L HN 0.213 nan 8.230 nan 0.000 0.433 136 Q N 0.464 120.265 119.800 0.002 0.000 2.030 136 Q HA -0.238 4.101 4.340 -0.000 0.000 0.204 136 Q C 2.088 178.105 176.000 0.029 0.000 0.986 136 Q CA 1.759 57.571 55.803 0.016 0.000 0.843 136 Q CB -0.237 28.511 28.738 0.016 0.000 0.904 136 Q HN 0.454 nan 8.270 nan 0.000 0.420 137 E N -0.357 119.872 120.200 0.049 0.000 2.130 137 E HA -0.197 4.153 4.350 -0.000 0.000 0.196 137 E C 1.933 178.558 176.600 0.042 0.000 0.998 137 E CA 1.043 57.490 56.400 0.078 0.000 0.806 137 E CB -0.217 29.587 29.700 0.174 0.000 0.738 137 E HN 0.327 nan 8.360 nan 0.000 0.459 138 L N 0.480 121.715 121.223 0.020 0.000 2.083 138 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 138 L C 2.698 179.568 176.870 0.001 0.000 1.083 138 L CA 1.309 56.145 54.840 -0.007 0.000 0.752 138 L CB -0.459 41.593 42.059 -0.011 0.000 0.899 138 L HN 0.233 nan 8.230 nan 0.000 0.433 139 Q N 0.227 120.034 119.800 0.012 0.000 2.096 139 Q HA -0.213 4.127 4.340 -0.000 0.000 0.197 139 Q C 2.032 178.042 176.000 0.017 0.000 0.964 139 Q CA 1.205 57.017 55.803 0.016 0.000 0.838 139 Q CB 0.185 28.934 28.738 0.018 0.000 0.906 139 Q HN 0.387 nan 8.270 nan 0.000 0.444 140 E N 0.483 120.694 120.200 0.019 0.000 2.086 140 E HA -0.257 4.093 4.350 -0.000 0.000 0.205 140 E C 1.545 178.152 176.600 0.011 0.000 1.027 140 E CA 2.070 58.482 56.400 0.019 0.000 0.830 140 E CB -0.048 29.669 29.700 0.029 0.000 0.751 140 E HN 0.449 nan 8.360 nan 0.000 0.456 141 N N 0.007 118.708 118.700 0.001 0.000 2.244 141 N HA -0.137 4.603 4.740 -0.000 0.000 0.183 141 N C 1.124 176.619 175.510 -0.024 0.000 1.016 141 N CA 0.829 53.868 53.050 -0.018 0.000 0.866 141 N CB 0.017 38.478 38.487 -0.043 0.000 0.980 141 N HN 0.145 nan 8.380 nan 0.000 0.430 142 D N 0.030 120.424 120.400 -0.011 0.000 2.263 142 D HA -0.103 4.537 4.640 -0.000 0.000 0.208 142 D C 2.003 178.326 176.300 0.039 0.000 0.971 142 D CA 1.168 55.169 54.000 0.002 0.000 0.867 142 D CB -0.367 40.449 40.800 0.027 0.000 0.929 142 D HN 0.439 nan 8.370 nan 0.000 0.492 143 T N -2.199 112.369 114.554 0.024 0.000 3.014 143 T HA -0.044 4.306 4.350 -0.000 0.000 0.263 143 T C 1.371 176.073 174.700 0.003 0.000 1.078 143 T CA 0.171 62.282 62.100 0.019 0.000 1.135 143 T CB -0.115 68.761 68.868 0.013 0.000 0.895 143 T HN -0.037 nan 8.240 nan 0.000 0.480 144 S N 1.675 117.374 115.700 -0.001 0.000 3.455 144 S HA 0.230 4.700 4.470 -0.000 0.000 0.288 144 S C 1.376 175.955 174.600 -0.035 0.000 1.231 144 S CA -0.463 57.730 58.200 -0.010 0.000 1.031 144 S CB -0.858 62.340 63.200 -0.005 0.000 1.570 144 S HN 0.371 nan 8.310 nan 0.000 0.519 145 M N 3.073 122.617 119.600 -0.093 0.000 2.103 145 M HA -0.222 4.258 4.480 -0.000 0.000 0.255 145 M C 2.585 178.709 176.300 -0.294 0.000 1.074 145 M CA 1.840 57.004 55.300 -0.226 0.000 1.090 145 M CB -0.413 31.754 32.600 -0.721 0.000 1.325 145 M HN 0.638 nan 8.290 nan 0.000 0.403 146 R N 0.706 121.101 120.500 -0.175 0.000 2.094 146 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 146 R C 1.504 177.860 176.300 0.094 0.000 1.137 146 R CA 2.450 58.622 56.100 0.120 0.000 0.943 146 R CB -0.580 29.872 30.300 0.254 0.000 0.850 146 R HN 0.336 nan 8.270 nan 0.000 0.433 147 D N -0.001 120.410 120.400 0.018 0.000 2.116 147 D HA -0.143 4.497 4.640 -0.000 0.000 0.193 147 D C 2.009 178.270 176.300 -0.065 0.000 0.998 147 D CA 1.414 55.405 54.000 -0.014 0.000 0.836 147 D CB -0.250 40.525 40.800 -0.042 0.000 0.951 147 D HN 0.085 nan 8.370 nan 0.000 0.449 148 V N 0.583 120.391 119.914 -0.177 0.000 2.231 148 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 148 V C 2.654 178.426 176.094 -0.536 0.000 1.054 148 V CA 1.613 63.636 62.300 -0.462 0.000 1.015 148 V CB -0.783 30.658 31.823 -0.636 0.000 0.638 148 V HN 0.085 nan 8.190 nan 0.000 0.444 149 V N -1.072 118.653 119.914 -0.316 0.000 2.469 149 V HA -0.255 3.865 4.120 -0.000 0.000 0.251 149 V C 2.178 178.163 176.094 -0.182 0.000 1.064 149 V CA 2.035 64.197 62.300 -0.228 0.000 1.066 149 V CB -0.995 30.764 31.823 -0.108 0.000 0.667 149 V HN 0.425 nan 8.190 nan 0.000 0.461 150 F N 0.588 120.482 119.950 -0.094 0.000 2.259 150 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 150 F C 2.399 178.303 175.800 0.174 0.000 1.088 150 F CA 1.275 59.280 58.000 0.008 0.000 1.358 150 F CB -0.401 38.564 39.000 -0.057 0.000 1.040 150 F HN 0.164 nan 8.300 nan 0.000 0.505 151 N N -0.375 118.443 118.700 0.195 0.000 2.080 151 N HA -0.190 4.550 4.740 -0.000 0.000 0.189 151 N C 1.943 177.618 175.510 0.276 0.000 1.036 151 N CA 1.394 54.544 53.050 0.167 0.000 0.846 151 N CB -0.947 37.551 38.487 0.017 0.000 1.015 151 N HN 0.350 nan 8.380 nan 0.000 0.423 152 Y N 0.846 121.151 120.300 0.009 0.000 2.062 152 Y HA -0.282 4.268 4.550 -0.000 0.000 0.276 152 Y C 2.468 178.366 175.900 -0.003 0.000 1.189 152 Y CA 0.651 58.738 58.100 -0.022 0.000 1.130 152 Y CB -0.446 37.968 38.460 -0.075 0.000 0.959 152 Y HN 0.058 nan 8.280 nan 0.000 0.499 153 L N -0.192 121.125 121.223 0.157 0.000 2.083 153 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 153 L C 2.026 178.903 176.870 0.011 0.000 1.083 153 L CA 1.819 56.676 54.840 0.028 0.000 0.752 153 L CB -0.565 41.445 42.059 -0.082 0.000 0.899 153 L HN 0.146 nan 8.230 nan 0.000 0.433 154 H N -0.566 118.593 119.070 0.149 0.000 2.293 154 H HA -0.062 4.494 4.556 -0.000 0.000 0.300 154 H C 2.255 177.678 175.328 0.159 0.000 1.082 154 H CA 1.724 57.915 56.048 0.239 0.000 1.308 154 H CB -0.473 29.445 29.762 0.261 0.000 1.375 154 H HN 0.506 nan 8.280 nan 0.000 0.495 155 A N -0.518 122.439 122.820 0.229 0.000 1.917 155 A HA -0.268 4.052 4.320 -0.000 0.000 0.219 155 A C 2.454 180.042 177.584 0.006 0.000 1.182 155 A CA 2.486 54.587 52.037 0.107 0.000 0.633 155 A CB -1.080 17.967 19.000 0.078 0.000 0.819 155 A HN 0.495 nan 8.150 nan 0.000 0.448 156 T N -1.536 112.986 114.554 -0.053 0.000 2.939 156 T HA 0.245 4.594 4.350 -0.000 0.000 0.254 156 T C 2.024 176.552 174.700 -0.286 0.000 1.041 156 T CA 1.452 63.464 62.100 -0.147 0.000 1.142 156 T CB -0.391 68.395 68.868 -0.135 0.000 0.874 156 T HN 0.518 nan 8.240 nan 0.000 0.452 157 A N 0.551 123.115 122.820 -0.426 0.000 1.877 157 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 157 A C 1.220 178.256 177.584 -0.914 0.000 1.186 157 A CA 1.202 52.661 52.037 -0.963 0.000 0.620 157 A CB -0.627 17.689 19.000 -1.140 0.000 0.822 157 A HN 0.579 nan 8.150 nan 0.000 0.443 158 F N 0.929 120.781 119.950 -0.164 0.000 2.837 158 F HA 0.213 4.740 4.527 -0.000 0.000 0.298 158 F C 0.616 176.380 175.800 -0.060 0.000 1.161 158 F CA -0.721 57.236 58.000 -0.070 0.000 1.353 158 F CB -0.523 38.482 39.000 0.009 0.000 0.951 158 F HN 0.350 nan 8.300 nan 0.000 0.508 159 Q N 0.009 119.819 119.800 0.016 0.000 2.398 159 Q HA 0.270 4.610 4.340 -0.000 0.000 0.329 159 Q C 1.147 177.156 176.000 0.014 0.000 1.079 159 Q CA 0.962 56.762 55.803 -0.006 0.000 1.041 159 Q CB 0.179 28.877 28.738 -0.068 0.000 1.084 159 Q HN 0.591 nan 8.270 nan 0.000 0.386 160 G N 2.013 110.823 108.800 0.017 0.000 2.308 160 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.221 160 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.221 160 G C 0.274 175.189 174.900 0.027 0.000 1.032 160 G CA 0.116 45.227 45.100 0.018 0.000 0.623 160 G HN 1.237 nan 8.290 nan 0.000 0.506 161 T N -1.069 113.514 114.554 0.048 0.000 2.952 161 T HA 0.694 5.044 4.350 -0.000 0.000 0.286 161 T C -1.158 173.534 174.700 -0.013 0.000 1.024 161 T CA -0.882 61.232 62.100 0.024 0.000 1.029 161 T CB 2.618 71.513 68.868 0.044 0.000 1.094 161 T HN -0.066 nan 8.240 nan 0.000 0.515 162 P HA -0.046 nan 4.420 nan 0.000 0.218 162 P C 1.429 178.651 177.300 -0.130 0.000 1.146 162 P CA 0.346 63.395 63.100 -0.085 0.000 0.813 162 P CB -0.006 31.621 31.700 -0.121 0.000 0.778 163 L N -0.836 120.264 121.223 -0.205 0.000 2.376 163 L HA 0.022 4.362 4.340 -0.000 0.000 0.219 163 L C 2.179 179.020 176.870 -0.048 0.000 1.133 163 L CA 1.102 55.743 54.840 -0.332 0.000 0.816 163 L CB -1.852 39.724 42.059 -0.806 0.000 0.933 163 L HN -0.091 nan 8.230 nan 0.000 0.449 164 A N -1.224 121.646 122.820 0.082 0.000 2.070 164 A HA -0.149 4.171 4.320 -0.000 0.000 0.220 164 A C 1.200 178.836 177.584 0.087 0.000 1.159 164 A CA 0.502 52.632 52.037 0.155 0.000 0.656 164 A CB -0.438 18.628 19.000 0.111 0.000 0.800 164 A HN 0.526 nan 8.150 nan 0.000 0.453 165 Q N 1.109 120.915 119.800 0.011 0.000 2.293 165 Q HA 0.393 4.733 4.340 -0.000 0.000 0.251 165 Q C 0.375 176.345 176.000 -0.050 0.000 0.930 165 Q CA -0.079 55.715 55.803 -0.014 0.000 0.893 165 Q CB 0.891 29.614 28.738 -0.024 0.000 1.215 165 Q HN 0.536 nan 8.270 nan 0.000 0.425 166 S N 0.388 116.059 115.700 -0.049 0.000 2.569 166 S HA -0.010 4.460 4.470 -0.000 0.000 0.274 166 S C 1.130 175.666 174.600 -0.106 0.000 1.353 166 S CA -0.690 57.455 58.200 -0.093 0.000 1.023 166 S CB 0.558 63.704 63.200 -0.090 0.000 0.876 166 S HN 0.473 nan 8.310 nan 0.000 0.540 167 V N 1.514 121.343 119.914 -0.141 0.000 2.453 167 V HA -0.082 4.038 4.120 -0.000 0.000 0.247 167 V C 2.316 178.295 176.094 -0.191 0.000 1.048 167 V CA 1.919 64.147 62.300 -0.119 0.000 1.049 167 V CB -1.234 30.543 31.823 -0.075 0.000 0.672 167 V HN 0.847 nan 8.190 nan 0.000 0.457 168 E N 0.321 120.290 120.200 -0.386 0.000 2.358 168 E HA 0.311 4.661 4.350 -0.000 0.000 0.195 168 E C 1.214 177.729 176.600 -0.141 0.000 1.010 168 E CA 0.677 56.763 56.400 -0.523 0.000 0.856 168 E CB -0.170 29.124 29.700 -0.675 0.000 0.795 168 E HN 0.636 nan 8.360 nan 0.000 0.504 169 G N 1.228 109.972 108.800 -0.094 0.000 2.828 169 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.463 169 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.463 169 G C -2.594 172.289 174.900 -0.027 0.000 1.394 169 G CA -0.518 44.563 45.100 -0.031 0.000 0.862 169 G HN 0.077 nan 8.290 nan 0.000 0.540 170 P HA 0.454 nan 4.420 nan 0.000 0.281 170 P C 1.066 178.372 177.300 0.009 0.000 1.264 170 P CA 0.172 63.271 63.100 -0.002 0.000 0.824 170 P CB 1.377 33.078 31.700 0.001 0.000 1.092 171 S N 0.386 116.091 115.700 0.009 0.000 2.381 171 S HA -0.255 4.214 4.470 -0.000 0.000 0.230 171 S C 1.707 176.322 174.600 0.024 0.000 1.052 171 S CA 2.001 60.211 58.200 0.017 0.000 1.068 171 S CB -0.811 62.397 63.200 0.014 0.000 0.918 171 S HN 0.615 nan 8.310 nan 0.000 0.448 172 E N 1.545 121.755 120.200 0.017 0.000 2.110 172 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 172 E C 1.729 178.340 176.600 0.018 0.000 0.988 172 E CA 1.333 57.742 56.400 0.015 0.000 0.804 172 E CB -0.480 29.224 29.700 0.007 0.000 0.745 172 E HN 0.659 nan 8.360 nan 0.000 0.458 173 N N -0.890 117.823 118.700 0.021 0.000 2.080 173 N HA -0.132 4.608 4.740 -0.000 0.000 0.189 173 N C 1.821 177.359 175.510 0.047 0.000 1.036 173 N CA 1.364 54.426 53.050 0.020 0.000 0.846 173 N CB 0.019 38.517 38.487 0.018 0.000 1.015 173 N HN -0.018 nan 8.380 nan 0.000 0.423 174 V N 1.578 121.555 119.914 0.104 0.000 2.277 174 V HA -0.303 3.817 4.120 -0.000 0.000 0.253 174 V C 2.243 178.447 176.094 0.184 0.000 1.067 174 V CA 1.738 64.166 62.300 0.215 0.000 1.047 174 V CB -0.600 31.308 31.823 0.140 0.000 0.649 174 V HN 0.300 nan 8.190 nan 0.000 0.447 175 R N -0.062 120.492 120.500 0.090 0.000 2.120 175 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 175 R C 2.369 178.691 176.300 0.037 0.000 1.123 175 R CA 1.571 57.707 56.100 0.061 0.000 0.975 175 R CB -0.101 30.220 30.300 0.035 0.000 0.866 175 R HN 0.659 nan 8.270 nan 0.000 0.446 176 K N -0.129 120.279 120.400 0.012 0.000 2.399 176 K HA 0.080 4.400 4.320 -0.000 0.000 0.196 176 K C 0.369 176.927 176.600 -0.070 0.000 1.117 176 K CA 0.025 56.299 56.287 -0.021 0.000 0.965 176 K CB 0.219 32.709 32.500 -0.016 0.000 0.983 176 K HN 0.044 nan 8.250 nan 0.000 0.531 177 L N 4.080 125.231 121.223 -0.120 0.000 2.540 177 L HA -0.020 4.320 4.340 -0.000 0.000 0.276 177 L C 0.493 177.193 176.870 -0.284 0.000 1.212 177 L CA -0.178 54.527 54.840 -0.226 0.000 0.893 177 L CB 0.757 42.597 42.059 -0.364 0.000 1.138 177 L HN 0.335 nan 8.230 nan 0.000 0.491 178 S N 4.028 119.600 115.700 -0.212 0.000 2.646 178 S HA 0.310 4.780 4.470 -0.000 0.000 0.276 178 S C 1.102 175.577 174.600 -0.207 0.000 1.222 178 S CA -0.811 57.283 58.200 -0.177 0.000 1.014 178 S CB 1.724 64.862 63.200 -0.103 0.000 0.991 178 S HN 0.672 nan 8.310 nan 0.000 0.533 179 R N 0.930 121.337 120.500 -0.155 0.000 2.133 179 R HA -0.219 4.121 4.340 -0.000 0.000 0.245 179 R C 2.411 178.655 176.300 -0.094 0.000 1.137 179 R CA 2.037 58.066 56.100 -0.119 0.000 0.947 179 R CB -1.493 28.763 30.300 -0.073 0.000 0.865 179 R HN 0.910 nan 8.270 nan 0.000 0.437 180 A N 1.380 124.157 122.820 -0.072 0.000 1.884 180 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 180 A C 1.882 179.439 177.584 -0.046 0.000 1.197 180 A CA 2.124 54.132 52.037 -0.048 0.000 0.637 180 A CB -0.848 18.130 19.000 -0.038 0.000 0.827 180 A HN 0.429 nan 8.150 nan 0.000 0.450 181 D N -0.423 119.936 120.400 -0.069 0.000 2.172 181 D HA -0.153 4.487 4.640 -0.000 0.000 0.196 181 D C 1.938 178.215 176.300 -0.038 0.000 0.999 181 D CA 1.436 55.401 54.000 -0.058 0.000 0.856 181 D CB -0.134 40.600 40.800 -0.110 0.000 0.934 181 D HN 0.504 nan 8.370 nan 0.000 0.453 182 L N 0.320 121.490 121.223 -0.088 0.000 2.084 182 L HA -0.090 4.250 4.340 -0.000 0.000 0.202 182 L C 2.626 179.498 176.870 0.003 0.000 1.074 182 L CA 1.132 55.923 54.840 -0.082 0.000 0.757 182 L CB -0.645 41.317 42.059 -0.162 0.000 0.918 182 L HN -0.016 nan 8.230 nan 0.000 0.444 183 T N -1.530 113.013 114.554 -0.020 0.000 2.803 183 T HA -0.230 4.120 4.350 -0.000 0.000 0.269 183 T C 1.585 176.302 174.700 0.027 0.000 1.052 183 T CA 1.289 63.386 62.100 -0.006 0.000 1.136 183 T CB -0.235 68.621 68.868 -0.020 0.000 0.864 183 T HN 0.251 nan 8.240 nan 0.000 0.467 184 E N 0.361 120.584 120.200 0.038 0.000 2.035 184 E HA -0.220 4.130 4.350 -0.000 0.000 0.204 184 E C 1.881 178.547 176.600 0.110 0.000 1.025 184 E CA 1.664 58.100 56.400 0.059 0.000 0.835 184 E CB -0.365 29.367 29.700 0.053 0.000 0.764 184 E HN 0.654 nan 8.360 nan 0.000 0.457 185 Y N 0.599 120.917 120.300 0.030 0.000 2.165 185 Y HA -0.226 4.324 4.550 -0.000 0.000 0.286 185 Y C 2.014 177.990 175.900 0.127 0.000 1.155 185 Y CA 1.368 59.552 58.100 0.139 0.000 1.164 185 Y CB -0.216 38.311 38.460 0.113 0.000 0.978 185 Y HN 0.106 nan 8.280 nan 0.000 0.513 186 L N -0.742 120.597 121.223 0.193 0.000 1.989 186 L HA -0.265 4.075 4.340 -0.000 0.000 0.211 186 L C 2.504 179.367 176.870 -0.012 0.000 1.071 186 L CA 2.251 57.061 54.840 -0.051 0.000 0.749 186 L CB -1.195 40.787 42.059 -0.128 0.000 0.890 186 L HN 0.284 nan 8.230 nan 0.000 0.431 187 S N -0.705 115.010 115.700 0.024 0.000 2.374 187 S HA -0.198 4.272 4.470 -0.000 0.000 0.227 187 S C 1.957 176.579 174.600 0.037 0.000 1.037 187 S CA 1.116 59.361 58.200 0.075 0.000 1.024 187 S CB -0.095 63.149 63.200 0.074 0.000 0.861 187 S HN 0.331 nan 8.310 nan 0.000 0.456 188 R N 0.008 120.438 120.500 -0.117 0.000 2.081 188 R HA 0.002 4.342 4.340 -0.000 0.000 0.235 188 R C 1.762 177.763 176.300 -0.499 0.000 1.131 188 R CA 1.384 57.257 56.100 -0.378 0.000 0.960 188 R CB -0.501 29.446 30.300 -0.589 0.000 0.856 188 R HN 0.576 nan 8.270 nan 0.000 0.436 189 H N -2.636 116.355 119.070 -0.131 0.000 2.657 189 H HA 0.127 4.683 4.556 -0.000 0.000 0.262 189 H C 0.341 175.714 175.328 0.077 0.000 0.965 189 H CA 0.028 55.978 56.048 -0.165 0.000 1.184 189 H CB 0.162 29.641 29.762 -0.472 0.000 1.443 189 H HN 0.142 nan 8.280 nan 0.000 0.462 190 Y N 3.656 123.976 120.300 0.032 0.000 2.971 190 Y HA 0.072 4.622 4.550 -0.000 0.000 0.384 190 Y C 0.393 176.357 175.900 0.107 0.000 1.166 190 Y CA -0.471 57.678 58.100 0.081 0.000 1.973 190 Y CB -0.149 38.374 38.460 0.106 0.000 2.082 190 Y HN 0.040 nan 8.280 nan 0.000 0.420 191 K N -1.234 119.290 120.400 0.208 0.000 2.318 191 K HA 0.734 5.054 4.320 -0.000 0.000 0.249 191 K C 0.127 176.813 176.600 0.143 0.000 0.942 191 K CA -0.640 55.779 56.287 0.220 0.000 0.808 191 K CB 1.930 34.618 32.500 0.315 0.000 1.189 191 K HN 0.093 nan 8.250 nan 0.000 0.428 192 A N 2.015 124.930 122.820 0.158 0.000 1.968 192 A HA 0.050 4.370 4.320 -0.000 0.000 0.217 192 A C -0.789 176.840 177.584 0.074 0.000 1.169 192 A CA 0.688 52.797 52.037 0.121 0.000 0.638 192 A CB -1.262 17.820 19.000 0.136 0.000 0.812 192 A HN 0.660 nan 8.150 nan 0.000 0.446 193 P HA -0.127 nan 4.420 nan 0.000 0.227 193 P C 0.657 177.977 177.300 0.035 0.000 1.145 193 P CA 1.100 64.227 63.100 0.044 0.000 0.769 193 P CB -0.075 31.649 31.700 0.039 0.000 0.769 194 R N -2.123 118.397 120.500 0.033 0.000 2.596 194 R HA 0.333 4.673 4.340 -0.000 0.000 0.369 194 R C 0.262 176.565 176.300 0.006 0.000 1.042 194 R CA -0.025 56.085 56.100 0.017 0.000 1.120 194 R CB 0.312 30.611 30.300 -0.003 0.000 1.353 194 R HN 0.213 nan 8.270 nan 0.000 0.564 195 M N 0.767 120.376 119.600 0.016 0.000 2.393 195 M HA 0.403 4.883 4.480 -0.000 0.000 0.316 195 M C -0.785 175.523 176.300 0.013 0.000 1.087 195 M CA -1.041 54.266 55.300 0.012 0.000 0.937 195 M CB 2.742 35.349 32.600 0.012 0.000 1.668 195 M HN -0.276 nan 8.290 nan 0.000 0.438 196 V N 3.521 123.461 119.914 0.045 0.000 2.435 196 V HA 0.347 4.467 4.120 -0.000 0.000 0.290 196 V C -0.489 175.638 176.094 0.054 0.000 1.030 196 V CA -0.769 61.550 62.300 0.031 0.000 0.881 196 V CB 1.866 33.710 31.823 0.035 0.000 0.983 196 V HN 0.703 nan 8.190 nan 0.000 0.445 197 L N 5.550 126.739 121.223 -0.058 0.000 2.312 197 L HA 0.675 5.015 4.340 -0.000 0.000 0.287 197 L C 0.537 177.425 176.870 0.030 0.000 1.091 197 L CA 0.355 55.172 54.840 -0.037 0.000 0.846 197 L CB 0.326 42.225 42.059 -0.266 0.000 1.219 197 L HN 0.772 nan 8.230 nan 0.000 0.439 198 A N 4.464 127.352 122.820 0.114 0.000 2.310 198 A HA 0.886 5.206 4.320 -0.000 0.000 0.299 198 A C -0.202 177.436 177.584 0.090 0.000 1.147 198 A CA 0.080 52.132 52.037 0.024 0.000 0.818 198 A CB 0.838 19.731 19.000 -0.179 0.000 1.096 198 A HN 0.928 nan 8.150 nan 0.000 0.495 199 A N 0.635 123.486 122.820 0.050 0.000 2.479 199 A HA 0.962 5.282 4.320 -0.000 0.000 0.296 199 A C -0.353 177.246 177.584 0.024 0.000 1.121 199 A CA -0.125 51.951 52.037 0.065 0.000 0.743 199 A CB 1.599 20.648 19.000 0.081 0.000 1.323 199 A HN 2.507 nan 8.150 nan 0.000 0.415 200 A N -0.377 122.460 122.820 0.028 0.000 2.488 200 A HA 0.892 5.212 4.320 -0.000 0.000 0.295 200 A C 0.167 177.763 177.584 0.020 0.000 1.045 200 A CA 0.479 52.521 52.037 0.008 0.000 0.703 200 A CB 0.797 19.783 19.000 -0.024 0.000 1.271 200 A HN 2.833 nan 8.150 nan 0.000 0.400 201 G N 0.621 109.432 108.800 0.018 0.000 2.204 201 G HA2 0.432 4.392 3.960 -0.000 0.000 0.153 201 G HA3 0.432 4.392 3.960 -0.000 0.000 0.153 201 G C 0.520 175.434 174.900 0.024 0.000 1.295 201 G CA 0.068 45.180 45.100 0.020 0.000 1.257 201 G HN 1.935 nan 8.290 nan 0.000 0.495 202 G N 1.149 109.966 108.800 0.028 0.000 3.458 202 G HA2 0.651 4.611 3.960 -0.000 0.000 0.256 202 G HA3 0.651 4.611 3.960 -0.000 0.000 0.256 202 G C 0.106 175.025 174.900 0.032 0.000 0.938 202 G CA 0.793 45.910 45.100 0.027 0.000 1.890 202 G HN 1.498 nan 8.290 nan 0.000 0.639 203 L N -3.022 118.223 121.223 0.036 0.000 2.388 203 L HA 0.810 5.150 4.340 -0.000 0.000 0.264 203 L C -0.615 176.283 176.870 0.047 0.000 0.998 203 L CA -1.404 53.461 54.840 0.042 0.000 0.817 203 L CB 2.027 44.116 42.059 0.050 0.000 1.338 203 L HN -0.080 nan 8.230 nan 0.000 0.414 204 E N -0.156 120.072 120.200 0.045 0.000 2.301 204 E HA 0.141 4.491 4.350 -0.000 0.000 0.275 204 E C 0.122 176.768 176.600 0.076 0.000 1.030 204 E CA -0.173 56.262 56.400 0.058 0.000 0.852 204 E CB 1.212 30.937 29.700 0.041 0.000 1.060 204 E HN 0.742 nan 8.360 nan 0.000 0.401 205 H N 4.113 123.187 119.070 0.007 0.000 2.363 205 H HA -0.028 4.528 4.556 -0.000 0.000 0.301 205 H C 1.456 176.788 175.328 0.007 0.000 1.074 205 H CA 1.623 57.674 56.048 0.004 0.000 1.354 205 H CB 0.411 30.172 29.762 -0.002 0.000 1.397 205 H HN 0.388 nan 8.280 nan 0.000 0.516 206 R N 0.476 120.937 120.500 -0.064 0.000 2.143 206 R HA -0.242 4.098 4.340 -0.000 0.000 0.239 206 R C 2.292 178.533 176.300 -0.097 0.000 1.126 206 R CA 1.862 57.909 56.100 -0.088 0.000 0.927 206 R CB -1.001 29.293 30.300 -0.010 0.000 0.860 206 R HN 0.556 nan 8.270 nan 0.000 0.433 207 Q N 0.495 120.269 119.800 -0.044 0.000 2.173 207 Q HA -0.156 4.184 4.340 -0.000 0.000 0.208 207 Q C 2.145 178.128 176.000 -0.028 0.000 0.989 207 Q CA 1.229 57.020 55.803 -0.020 0.000 0.872 207 Q CB -0.090 28.652 28.738 0.007 0.000 0.909 207 Q HN 0.371 nan 8.270 nan 0.000 0.420 208 L N 0.167 121.349 121.223 -0.067 0.000 2.095 208 L HA -0.128 4.211 4.340 -0.000 0.000 0.204 208 L C 2.322 179.136 176.870 -0.093 0.000 1.080 208 L CA 0.756 55.561 54.840 -0.059 0.000 0.759 208 L CB -0.351 41.671 42.059 -0.063 0.000 0.914 208 L HN 0.336 nan 8.230 nan 0.000 0.439 209 L N -0.305 120.797 121.223 -0.201 0.000 2.046 209 L HA -0.274 4.066 4.340 -0.000 0.000 0.208 209 L C 2.242 179.071 176.870 -0.068 0.000 1.077 209 L CA 1.401 56.144 54.840 -0.161 0.000 0.747 209 L CB -0.409 41.516 42.059 -0.223 0.000 0.896 209 L HN 0.319 nan 8.230 nan 0.000 0.432 210 D N -0.033 120.333 120.400 -0.057 0.000 2.116 210 D HA -0.217 4.423 4.640 -0.000 0.000 0.193 210 D C 2.242 178.536 176.300 -0.010 0.000 0.998 210 D CA 1.383 55.365 54.000 -0.030 0.000 0.836 210 D CB -0.152 40.634 40.800 -0.024 0.000 0.951 210 D HN 0.319 nan 8.370 nan 0.000 0.449 211 L N 0.295 121.539 121.223 0.035 0.000 2.291 211 L HA -0.044 4.296 4.340 -0.000 0.000 0.214 211 L C 2.431 179.431 176.870 0.217 0.000 1.120 211 L CA 0.589 55.511 54.840 0.135 0.000 0.799 211 L CB -0.200 41.971 42.059 0.186 0.000 0.925 211 L HN -0.045 nan 8.230 nan 0.000 0.446 212 A N -0.565 122.331 122.820 0.128 0.000 1.854 212 A HA -0.178 4.142 4.320 -0.000 0.000 0.214 212 A C 2.239 179.934 177.584 0.185 0.000 1.192 212 A CA 1.036 53.168 52.037 0.158 0.000 0.611 212 A CB -0.374 18.619 19.000 -0.012 0.000 0.832 212 A HN 0.310 nan 8.150 nan 0.000 0.442 213 Q N -0.208 119.632 119.800 0.066 0.000 2.170 213 Q HA -0.152 4.188 4.340 -0.000 0.000 0.203 213 Q C 1.964 177.953 176.000 -0.017 0.000 0.976 213 Q CA 1.358 57.182 55.803 0.034 0.000 0.858 213 Q CB -0.285 28.452 28.738 -0.001 0.000 0.907 213 Q HN 0.651 nan 8.270 nan 0.000 0.433 214 K N -0.499 119.840 120.400 -0.101 0.000 2.097 214 K HA -0.156 4.164 4.320 -0.000 0.000 0.206 214 K C 0.827 177.173 176.600 -0.423 0.000 1.049 214 K CA 1.263 57.342 56.287 -0.347 0.000 0.933 214 K CB 0.098 32.245 32.500 -0.587 0.000 0.717 214 K HN 0.384 nan 8.250 nan 0.000 0.442 215 H N -3.746 115.371 119.070 0.079 0.000 3.535 215 H HA 0.142 4.698 4.556 -0.000 0.000 0.260 215 H C 0.209 175.395 175.328 -0.237 0.000 1.173 215 H CA -0.200 55.814 56.048 -0.057 0.000 1.168 215 H CB 0.719 30.442 29.762 -0.065 0.000 1.568 215 H HN -0.003 nan 8.280 nan 0.000 0.602 216 F N -0.156 119.848 119.950 0.088 0.000 2.746 216 F HA 0.275 4.802 4.527 -0.000 0.000 0.320 216 F C 0.880 176.697 175.800 0.028 0.000 1.097 216 F CA -0.117 57.919 58.000 0.060 0.000 1.195 216 F CB 0.960 39.998 39.000 0.064 0.000 1.056 216 F HN -0.160 nan 8.300 nan 0.000 0.562 217 S N 0.474 116.261 115.700 0.143 0.000 2.549 217 S HA 0.384 4.854 4.470 -0.000 0.000 0.286 217 S C 0.686 175.310 174.600 0.040 0.000 1.314 217 S CA 0.582 58.828 58.200 0.077 0.000 1.062 217 S CB -0.006 63.215 63.200 0.035 0.000 0.865 217 S HN 0.701 nan 8.310 nan 0.000 0.498 218 G N 3.702 112.522 108.800 0.034 0.000 2.402 218 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.241 218 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.241 218 G C 0.164 175.059 174.900 -0.008 0.000 0.871 218 G CA 0.173 45.275 45.100 0.003 0.000 1.232 218 G HN 0.676 nan 8.290 nan 0.000 0.369 219 L N 0.989 122.226 121.223 0.023 0.000 2.590 219 L HA 0.289 4.628 4.340 -0.000 0.000 0.181 219 L C 2.531 179.375 176.870 -0.042 0.000 1.134 219 L CA 0.847 55.674 54.840 -0.022 0.000 0.850 219 L CB 0.073 42.184 42.059 0.086 0.000 1.172 219 L HN 0.515 nan 8.230 nan 0.000 0.498 220 S N -0.590 115.199 115.700 0.148 0.000 2.701 220 S HA 0.243 4.713 4.470 -0.000 0.000 0.220 220 S C 0.942 175.646 174.600 0.173 0.000 0.954 220 S CA 0.588 58.961 58.200 0.287 0.000 0.936 220 S CB -0.548 62.804 63.200 0.253 0.000 0.777 220 S HN 0.665 nan 8.310 nan 0.000 0.518 221 G N 0.697 109.546 108.800 0.081 0.000 2.728 221 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.269 221 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.269 221 G C -0.023 174.901 174.900 0.040 0.000 1.334 221 G CA 0.061 45.173 45.100 0.020 0.000 0.974 221 G HN 1.207 nan 8.290 nan 0.000 0.550 222 T N -2.342 112.248 114.554 0.061 0.000 2.900 222 T HA 0.792 5.141 4.350 -0.000 0.000 0.295 222 T C -0.572 174.254 174.700 0.211 0.000 1.044 222 T CA 0.358 62.528 62.100 0.117 0.000 0.995 222 T CB 3.002 71.915 68.868 0.074 0.000 1.072 222 T HN 1.925 nan 8.240 nan 0.000 0.473 223 Y N 0.658 120.962 120.300 0.007 0.000 1.913 223 Y HA 0.048 4.598 4.550 -0.000 0.000 0.348 223 Y C 0.467 176.370 175.900 0.004 0.000 1.553 223 Y CA 0.422 58.525 58.100 0.005 0.000 1.063 223 Y CB -0.546 37.920 38.460 0.010 0.000 4.828 223 Y HN 0.776 nan 8.280 nan 0.000 0.116 224 D N 1.047 121.363 120.400 -0.141 0.000 6.235 224 D HA -0.323 4.316 4.640 -0.000 0.000 0.293 224 D C 0.571 176.623 176.300 -0.414 0.000 1.817 224 D CA 2.356 56.068 54.000 -0.481 0.000 0.850 224 D CB -0.609 40.074 40.800 -0.194 0.000 0.721 224 D HN 0.700 nan 8.370 nan 0.000 0.899 225 E N -1.056 119.028 120.200 -0.194 0.000 8.077 225 E HA -0.193 4.157 4.350 -0.000 0.000 0.162 225 E C -0.616 175.914 176.600 -0.118 0.000 1.458 225 E CA 1.010 57.334 56.400 -0.128 0.000 2.527 225 E CB -0.608 29.025 29.700 -0.113 0.000 1.500 225 E HN 0.553 nan 8.360 nan 0.000 0.455 226 D N 0.341 120.692 120.400 -0.081 0.000 7.675 226 D HA -0.175 4.465 4.640 -0.000 0.000 0.092 226 D C 0.073 176.312 176.300 -0.102 0.000 0.970 226 D CA 2.060 56.014 54.000 -0.076 0.000 0.840 226 D CB -0.582 40.179 40.800 -0.065 0.000 1.604 226 D HN 1.440 nan 8.370 nan 0.000 0.906 227 A N 1.953 124.727 122.820 -0.077 0.000 2.869 227 A HA -0.225 4.095 4.320 -0.000 0.000 0.280 227 A C 0.582 178.101 177.584 -0.109 0.000 1.458 227 A CA 0.799 52.790 52.037 -0.077 0.000 0.776 227 A CB -1.888 17.070 19.000 -0.070 0.000 1.028 227 A HN 0.763 nan 8.150 nan 0.000 0.547 228 V N 0.921 120.772 119.914 -0.104 0.000 2.450 228 V HA 0.420 4.540 4.120 -0.000 0.000 0.281 228 V C -0.820 175.260 176.094 -0.024 0.000 1.019 228 V CA -0.162 62.098 62.300 -0.067 0.000 1.062 228 V CB -0.230 31.561 31.823 -0.054 0.000 0.979 228 V HN 0.656 nan 8.190 nan 0.000 0.477 229 P HA 0.578 nan 4.420 nan 0.000 0.287 229 P C -0.167 177.183 177.300 0.083 0.000 1.279 229 P CA -0.568 62.555 63.100 0.038 0.000 0.867 229 P CB 1.151 32.877 31.700 0.043 0.000 1.127 230 T N 0.119 114.717 114.554 0.073 0.000 2.770 230 T HA 0.406 4.756 4.350 -0.000 0.000 0.281 230 T C 0.458 175.188 174.700 0.051 0.000 0.981 230 T CA -0.654 61.501 62.100 0.091 0.000 0.955 230 T CB 0.023 68.930 68.868 0.064 0.000 1.060 230 T HN 0.183 nan 8.240 nan 0.000 0.531 231 L N 2.041 123.259 121.223 -0.009 0.000 2.367 231 L HA 0.287 4.627 4.340 -0.000 0.000 0.275 231 L C 1.035 177.880 176.870 -0.041 0.000 1.129 231 L CA -0.694 54.086 54.840 -0.100 0.000 0.839 231 L CB 0.174 42.103 42.059 -0.217 0.000 1.133 231 L HN 0.785 nan 8.230 nan 0.000 0.453 232 S N 2.859 118.536 115.700 -0.039 0.000 2.558 232 S HA 0.177 4.647 4.470 -0.000 0.000 0.293 232 S C -2.115 172.469 174.600 -0.027 0.000 1.292 232 S CA -1.242 56.946 58.200 -0.020 0.000 1.063 232 S CB -0.379 62.812 63.200 -0.015 0.000 0.831 232 S HN 0.415 nan 8.310 nan 0.000 0.499 233 P HA -0.002 nan 4.420 nan 0.000 0.266 233 P C -0.794 176.518 177.300 0.020 0.000 1.162 233 P CA -0.019 63.096 63.100 0.025 0.000 0.758 233 P CB 0.010 31.739 31.700 0.049 0.000 0.774 234 C N 4.341 123.661 119.300 0.033 0.000 2.264 234 C HA 0.330 4.790 4.460 -0.000 0.000 0.322 234 C C 0.889 176.010 174.990 0.218 0.000 1.210 234 C CA -0.758 58.304 59.018 0.073 0.000 1.539 234 C CB -0.514 27.186 27.740 -0.066 0.000 2.167 234 C HN 0.609 nan 8.230 nan 0.000 0.463 235 R N 1.981 122.596 120.500 0.191 0.000 2.669 235 R HA -0.129 4.211 4.340 -0.000 0.000 0.283 235 R C -0.636 175.884 176.300 0.366 0.000 0.851 235 R CA 0.625 56.861 56.100 0.225 0.000 1.126 235 R CB 0.071 30.452 30.300 0.134 0.000 0.883 235 R HN 0.725 nan 8.270 nan 0.000 0.418 236 F N 4.628 124.682 119.950 0.172 0.000 2.410 236 F HA 0.219 4.746 4.527 -0.000 0.000 0.349 236 F C 0.625 176.411 175.800 -0.022 0.000 1.117 236 F CA -0.114 57.902 58.000 0.026 0.000 1.104 236 F CB 1.576 40.573 39.000 -0.005 0.000 1.122 236 F HN 0.533 nan 8.300 nan 0.000 0.483 237 T N 3.582 117.864 114.554 -0.454 0.000 3.246 237 T HA 0.362 4.712 4.350 -0.000 0.000 0.231 237 T C 0.443 174.898 174.700 -0.408 0.000 0.986 237 T CA 0.606 62.525 62.100 -0.303 0.000 1.340 237 T CB -0.823 67.896 68.868 -0.248 0.000 1.063 237 T HN 1.072 nan 8.240 nan 0.000 0.427 238 G N 1.829 110.224 108.800 -0.675 0.000 3.000 238 G HA2 0.198 4.158 3.960 -0.000 0.000 0.686 238 G HA3 0.198 4.158 3.960 -0.000 0.000 0.686 238 G C -0.113 174.669 174.900 -0.196 0.000 1.114 238 G CA 0.054 44.967 45.100 -0.313 0.000 0.902 238 G HN 1.744 nan 8.290 nan 0.000 0.564 239 S N 0.176 115.692 115.700 -0.306 0.000 2.791 239 S HA 0.354 4.824 4.470 -0.000 0.000 0.261 239 S C -1.219 173.291 174.600 -0.151 0.000 0.684 239 S CA 0.371 58.359 58.200 -0.354 0.000 1.126 239 S CB 0.489 63.527 63.200 -0.271 0.000 1.400 239 S HN 2.225 nan 8.310 nan 0.000 0.522 240 Q N 0.822 120.547 119.800 -0.125 0.000 2.347 240 Q HA 0.797 5.137 4.340 -0.000 0.000 0.271 240 Q C -1.564 174.418 176.000 -0.031 0.000 1.064 240 Q CA -0.938 54.883 55.803 0.031 0.000 0.800 240 Q CB 1.884 30.709 28.738 0.144 0.000 1.304 240 Q HN 0.916 nan 8.270 nan 0.000 0.438 241 I N 2.854 123.415 120.570 -0.015 0.000 2.436 241 I HA 0.531 4.701 4.170 -0.000 0.000 0.289 241 I C -1.601 174.520 176.117 0.007 0.000 1.010 241 I CA -0.611 60.650 61.300 -0.066 0.000 1.098 241 I CB 1.079 38.980 38.000 -0.165 0.000 1.266 241 I HN 0.724 nan 8.210 nan 0.000 0.434 242 C N 6.329 125.636 119.300 0.012 0.000 2.356 242 C HA 0.335 4.795 4.460 -0.000 0.000 0.324 242 C C -0.197 174.881 174.990 0.146 0.000 1.167 242 C CA -0.457 58.623 59.018 0.104 0.000 1.420 242 C CB -0.115 27.681 27.740 0.093 0.000 2.036 242 C HN 0.733 nan 8.230 nan 0.000 0.435 243 H N 2.788 121.941 119.070 0.139 0.000 2.741 243 H HA 0.395 4.950 4.556 -0.000 0.000 0.261 243 H C 0.521 176.025 175.328 0.292 0.000 1.365 243 H CA -0.621 55.545 56.048 0.196 0.000 1.266 243 H CB 0.098 30.013 29.762 0.256 0.000 1.485 243 H HN 0.591 nan 8.280 nan 0.000 0.529 244 R N 3.114 123.840 120.500 0.377 0.000 2.370 244 R HA 0.061 4.401 4.340 -0.000 0.000 0.309 244 R C -0.810 175.670 176.300 0.301 0.000 1.059 244 R CA 0.192 56.453 56.100 0.268 0.000 0.981 244 R CB 0.368 30.762 30.300 0.157 0.000 0.972 244 R HN 0.551 nan 8.270 nan 0.000 0.437 245 E N 3.988 124.304 120.200 0.193 0.000 2.649 245 E HA 0.099 4.449 4.350 -0.000 0.000 0.310 245 E C -1.013 175.591 176.600 0.007 0.000 1.036 245 E CA -0.362 56.106 56.400 0.113 0.000 0.772 245 E CB 0.813 30.578 29.700 0.107 0.000 1.513 245 E HN 0.633 nan 8.360 nan 0.000 0.384 246 D N 1.469 121.876 120.400 0.012 0.000 2.358 246 D HA 0.018 4.658 4.640 -0.000 0.000 0.241 246 D C 1.440 177.711 176.300 -0.047 0.000 1.094 246 D CA 0.468 54.450 54.000 -0.030 0.000 0.907 246 D CB 0.145 40.926 40.800 -0.032 0.000 0.893 246 D HN 0.551 nan 8.370 nan 0.000 0.528 247 G N -0.295 108.481 108.800 -0.039 0.000 2.744 247 G HA2 0.116 4.076 3.960 -0.000 0.000 0.211 247 G HA3 0.116 4.076 3.960 -0.000 0.000 0.211 247 G C 0.600 175.459 174.900 -0.069 0.000 1.146 247 G CA -0.188 44.886 45.100 -0.043 0.000 0.787 247 G HN 0.207 nan 8.290 nan 0.000 0.534 248 L N 0.679 121.835 121.223 -0.111 0.000 2.292 248 L HA 0.330 4.670 4.340 -0.000 0.000 0.284 248 L C -1.611 175.202 176.870 -0.094 0.000 1.065 248 L CA -1.920 52.835 54.840 -0.141 0.000 0.806 248 L CB 2.019 43.905 42.059 -0.289 0.000 1.175 248 L HN -0.124 nan 8.230 nan 0.000 0.431 249 P HA 0.043 nan 4.420 nan 0.000 0.221 249 P C -0.254 177.056 177.300 0.017 0.000 1.155 249 P CA 0.881 63.970 63.100 -0.019 0.000 0.812 249 P CB 0.358 32.054 31.700 -0.006 0.000 0.801 250 L N -1.190 120.048 121.223 0.025 0.000 2.342 250 L HA 0.642 4.981 4.340 -0.000 0.000 0.271 250 L C 0.131 177.057 176.870 0.093 0.000 1.008 250 L CA -1.440 53.442 54.840 0.070 0.000 0.818 250 L CB 1.635 43.739 42.059 0.076 0.000 1.296 250 L HN -0.254 nan 8.230 nan 0.000 0.427 251 A N 0.571 123.461 122.820 0.118 0.000 2.388 251 A HA 0.525 4.845 4.320 -0.000 0.000 0.257 251 A C -0.890 176.807 177.584 0.189 0.000 1.095 251 A CA -0.104 52.016 52.037 0.138 0.000 0.791 251 A CB -0.121 18.965 19.000 0.144 0.000 1.029 251 A HN 0.708 nan 8.150 nan 0.000 0.489 252 H N -0.135 118.950 119.070 0.025 0.000 2.457 252 H HA 0.607 5.163 4.556 -0.000 0.000 0.335 252 H C -0.563 174.726 175.328 -0.066 0.000 1.115 252 H CA -0.296 55.784 56.048 0.053 0.000 1.219 252 H CB 1.679 31.559 29.762 0.198 0.000 1.471 252 H HN 0.363 nan 8.280 nan 0.000 0.491 253 V N 1.671 121.433 119.914 -0.252 0.000 2.709 253 V HA 0.760 4.880 4.120 -0.000 0.000 0.308 253 V C -0.550 175.398 176.094 -0.244 0.000 1.062 253 V CA -0.889 61.161 62.300 -0.416 0.000 0.901 253 V CB 1.853 33.090 31.823 -0.977 0.000 1.003 253 V HN 0.940 nan 8.190 nan 0.000 0.425 254 A N 4.835 127.594 122.820 -0.101 0.000 2.359 254 A HA 0.923 5.243 4.320 -0.000 0.000 0.303 254 A C -1.193 176.441 177.584 0.083 0.000 1.066 254 A CA -0.453 51.568 52.037 -0.026 0.000 0.730 254 A CB 1.246 20.016 19.000 -0.383 0.000 1.211 254 A HN 1.062 nan 8.150 nan 0.000 0.439 255 I N 1.777 122.490 120.570 0.237 0.000 2.499 255 I HA 0.827 4.997 4.170 -0.000 0.000 0.288 255 I C -0.436 175.921 176.117 0.400 0.000 1.048 255 I CA -0.179 61.301 61.300 0.299 0.000 1.062 255 I CB 1.760 39.955 38.000 0.324 0.000 1.238 255 I HN 0.973 nan 8.210 nan 0.000 0.426 256 A N 6.618 129.638 122.820 0.334 0.000 2.547 256 A HA 0.697 5.017 4.320 -0.000 0.000 0.297 256 A C -0.909 176.801 177.584 0.209 0.000 1.056 256 A CA -0.364 51.838 52.037 0.275 0.000 0.688 256 A CB 1.360 20.600 19.000 0.401 0.000 1.282 256 A HN 1.171 nan 8.150 nan 0.000 0.400 257 V N -0.380 119.496 119.914 -0.063 0.000 3.214 257 V HA 0.561 4.681 4.120 -0.000 0.000 0.306 257 V C 0.442 176.202 176.094 -0.557 0.000 1.078 257 V CA -0.589 61.538 62.300 -0.289 0.000 1.077 257 V CB 1.012 32.548 31.823 -0.477 0.000 1.121 257 V HN 0.951 nan 8.190 nan 0.000 0.468 258 E N 0.967 120.468 120.200 -1.165 0.000 2.324 258 E HA 0.421 4.771 4.350 -0.000 0.000 0.271 258 E C 0.381 176.742 176.600 -0.398 0.000 1.028 258 E CA 0.238 56.055 56.400 -0.972 0.000 0.890 258 E CB 0.853 29.858 29.700 -1.159 0.000 1.004 258 E HN 1.064 nan 8.360 nan 0.000 0.431 259 G N 3.674 112.334 108.800 -0.232 0.000 2.557 259 G HA2 0.235 4.195 3.960 -0.000 0.000 0.292 259 G HA3 0.235 4.195 3.960 -0.000 0.000 0.292 259 G C -1.884 172.974 174.900 -0.069 0.000 1.237 259 G CA -0.853 44.111 45.100 -0.228 0.000 0.978 259 G HN 0.499 nan 8.290 nan 0.000 0.498 260 P HA 0.203 nan 4.420 nan 0.000 0.244 260 P C 0.948 178.300 177.300 0.086 0.000 1.191 260 P CA 1.111 64.253 63.100 0.070 0.000 0.829 260 P CB 0.843 32.548 31.700 0.010 0.000 1.008 261 G N -0.042 108.735 108.800 -0.039 0.000 2.660 261 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.247 261 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.247 261 G C 0.094 175.014 174.900 0.034 0.000 1.328 261 G CA -0.221 44.831 45.100 -0.081 0.000 0.884 261 G HN 0.074 nan 8.290 nan 0.000 0.531 262 W N -0.049 121.340 121.300 0.149 0.000 2.338 262 W HA 0.111 4.771 4.660 -0.000 0.000 0.304 262 W C 3.021 179.753 176.519 0.355 0.000 1.212 262 W CA 2.929 60.377 57.345 0.172 0.000 1.264 262 W CB -0.337 29.145 29.460 0.037 0.000 1.142 262 W HN 0.927 nan 8.180 nan 0.000 0.512 263 A N -1.831 121.299 122.820 0.518 0.000 1.975 263 A HA -0.064 4.255 4.320 -0.000 0.000 0.215 263 A C 0.850 178.644 177.584 0.349 0.000 1.170 263 A CA 0.445 52.755 52.037 0.455 0.000 0.656 263 A CB -0.835 18.349 19.000 0.306 0.000 0.821 263 A HN 0.172 nan 8.150 nan 0.000 0.449 264 H N 1.087 120.287 119.070 0.218 0.000 3.004 264 H HA 0.099 4.655 4.556 -0.000 0.000 0.316 264 H C -1.417 173.990 175.328 0.131 0.000 1.014 264 H CA -1.622 54.514 56.048 0.145 0.000 1.454 264 H CB 1.068 30.897 29.762 0.110 0.000 1.472 264 H HN 0.082 nan 8.280 nan 0.000 0.571 265 P HA -0.222 nan 4.420 nan 0.000 0.218 265 P C 0.570 178.020 177.300 0.250 0.000 1.154 265 P CA 1.787 65.046 63.100 0.264 0.000 0.872 265 P CB 0.152 31.974 31.700 0.203 0.000 0.790 266 D N -2.182 118.382 120.400 0.274 0.000 2.352 266 D HA -0.026 4.614 4.640 -0.000 0.000 0.236 266 D C 1.178 177.407 176.300 -0.118 0.000 1.148 266 D CA -0.097 53.928 54.000 0.041 0.000 0.844 266 D CB -1.049 39.784 40.800 0.056 0.000 0.933 266 D HN 0.012 nan 8.370 nan 0.000 0.507 267 N N 0.300 118.969 118.700 -0.051 0.000 2.216 267 N HA -0.090 4.649 4.740 -0.000 0.000 0.183 267 N C 1.774 177.262 175.510 -0.036 0.000 1.017 267 N CA 0.684 53.682 53.050 -0.087 0.000 0.861 267 N CB 0.028 38.514 38.487 -0.001 0.000 0.986 267 N HN 0.144 nan 8.380 nan 0.000 0.428 268 V N 1.933 121.877 119.914 0.051 0.000 2.252 268 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 268 V C 2.489 178.599 176.094 0.027 0.000 1.056 268 V CA 2.077 64.416 62.300 0.065 0.000 1.022 268 V CB -1.069 30.845 31.823 0.151 0.000 0.641 268 V HN 0.296 nan 8.190 nan 0.000 0.445 269 A N -0.694 122.139 122.820 0.021 0.000 1.972 269 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 269 A C 2.231 179.807 177.584 -0.013 0.000 1.169 269 A CA 1.717 53.762 52.037 0.013 0.000 0.635 269 A CB -0.503 18.511 19.000 0.024 0.000 0.810 269 A HN 0.518 nan 8.150 nan 0.000 0.446 270 L N -0.879 120.300 121.223 -0.072 0.000 2.056 270 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 270 L C 2.860 179.707 176.870 -0.038 0.000 1.078 270 L CA 1.077 55.857 54.840 -0.100 0.000 0.749 270 L CB -0.468 41.431 42.059 -0.267 0.000 0.901 270 L HN 0.413 nan 8.230 nan 0.000 0.433 271 Q N -0.489 119.286 119.800 -0.041 0.000 2.119 271 Q HA -0.141 4.199 4.340 -0.000 0.000 0.201 271 Q C 2.388 178.396 176.000 0.013 0.000 0.972 271 Q CA 1.231 57.026 55.803 -0.014 0.000 0.847 271 Q CB -0.358 28.358 28.738 -0.036 0.000 0.903 271 Q HN 0.385 nan 8.270 nan 0.000 0.433 272 V N 1.314 121.237 119.914 0.015 0.000 2.261 272 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 272 V C 2.415 178.530 176.094 0.035 0.000 1.047 272 V CA 1.996 64.311 62.300 0.024 0.000 1.015 272 V CB -1.084 30.755 31.823 0.026 0.000 0.642 272 V HN 0.348 nan 8.190 nan 0.000 0.446 273 A N -0.505 122.341 122.820 0.044 0.000 1.933 273 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 273 A C 2.093 179.732 177.584 0.092 0.000 1.175 273 A CA 2.152 54.229 52.037 0.065 0.000 0.628 273 A CB -0.877 18.175 19.000 0.087 0.000 0.814 273 A HN 0.679 nan 8.150 nan 0.000 0.444 274 N N -0.191 118.571 118.700 0.104 0.000 2.084 274 N HA -0.132 4.607 4.740 -0.000 0.000 0.190 274 N C 1.998 177.571 175.510 0.106 0.000 1.030 274 N CA 1.017 54.145 53.050 0.130 0.000 0.849 274 N CB -0.189 38.364 38.487 0.110 0.000 1.012 274 N HN 0.476 nan 8.380 nan 0.000 0.423 275 A N 1.378 124.239 122.820 0.068 0.000 1.933 275 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 275 A C 2.060 179.654 177.584 0.017 0.000 1.175 275 A CA 0.916 52.975 52.037 0.036 0.000 0.628 275 A CB -0.634 18.379 19.000 0.021 0.000 0.814 275 A HN 0.257 nan 8.150 nan 0.000 0.444 276 I N -0.360 120.227 120.570 0.027 0.000 2.151 276 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 276 I C 2.304 178.437 176.117 0.027 0.000 1.080 276 I CA 1.738 63.049 61.300 0.018 0.000 1.339 276 I CB -0.475 37.535 38.000 0.016 0.000 1.039 276 I HN 0.315 nan 8.210 nan 0.000 0.409 277 I N -0.076 120.525 120.570 0.051 0.000 2.286 277 I HA -0.067 4.103 4.170 -0.000 0.000 0.245 277 I C 1.830 178.061 176.117 0.190 0.000 1.104 277 I CA 0.979 62.323 61.300 0.072 0.000 1.397 277 I CB -0.908 37.116 38.000 0.040 0.000 1.072 277 I HN 0.499 nan 8.210 nan 0.000 0.417 278 G N 0.990 109.878 108.800 0.148 0.000 2.556 278 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.283 278 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.283 278 G C -0.237 174.768 174.900 0.174 0.000 1.177 278 G CA 0.582 45.689 45.100 0.012 0.000 0.978 278 G HN 0.765 nan 8.290 nan 0.000 0.554 279 H N -2.588 116.519 119.070 0.062 0.000 3.046 279 H HA 0.758 5.313 4.556 -0.000 0.000 0.363 279 H C -0.967 174.092 175.328 -0.449 0.000 1.203 279 H CA -0.676 55.132 56.048 -0.399 0.000 1.169 279 H CB 1.144 30.852 29.762 -0.090 0.000 1.851 279 H HN 1.161 nan 8.280 nan 0.000 0.546 280 Y N 0.822 120.440 120.300 -1.137 0.000 2.634 280 Y HA 0.638 5.188 4.550 -0.000 0.000 0.340 280 Y C -1.528 173.764 175.900 -1.013 0.000 1.058 280 Y CA -1.029 56.515 58.100 -0.927 0.000 1.081 280 Y CB 2.600 40.705 38.460 -0.591 0.000 1.295 280 Y HN 1.039 nan 8.280 nan 0.000 0.487 281 D N -0.191 118.869 120.400 -2.234 0.000 2.706 281 D HA 0.177 4.817 4.640 -0.000 0.000 0.227 281 D C -0.125 175.169 176.300 -1.677 0.000 1.233 281 D CA -0.241 52.837 54.000 -1.537 0.000 0.768 281 D CB 0.865 40.904 40.800 -1.267 0.000 1.490 281 D HN 0.730 nan 8.370 nan 0.000 0.458 282 C N 0.668 119.471 119.300 -0.829 0.000 2.491 282 C HA 0.148 4.608 4.460 -0.000 0.000 0.277 282 C C 1.828 176.659 174.990 -0.266 0.000 1.455 282 C CA 0.969 59.708 59.018 -0.466 0.000 1.758 282 C CB -1.810 25.831 27.740 -0.164 0.000 1.745 282 C HN 0.651 nan 8.230 nan 0.000 0.558 283 T N -4.778 109.624 114.554 -0.254 0.000 3.060 283 T HA 0.167 4.517 4.350 -0.000 0.000 0.249 283 T C 0.227 174.989 174.700 0.104 0.000 1.079 283 T CA -0.097 61.977 62.100 -0.043 0.000 1.013 283 T CB -0.591 68.267 68.868 -0.016 0.000 0.975 283 T HN 0.418 nan 8.240 nan 0.000 0.518 284 Y N 3.204 123.399 120.300 -0.175 0.000 2.802 284 Y HA 0.405 4.955 4.550 -0.000 0.000 0.333 284 Y C 1.504 177.409 175.900 0.008 0.000 1.244 284 Y CA -0.806 57.250 58.100 -0.074 0.000 1.558 284 Y CB -0.649 37.773 38.460 -0.064 0.000 1.233 284 Y HN 0.280 nan 8.280 nan 0.000 0.547 285 G N 1.723 110.611 108.800 0.147 0.000 2.491 285 G HA2 0.442 4.402 3.960 -0.000 0.000 0.242 285 G HA3 0.442 4.402 3.960 -0.000 0.000 0.242 285 G C 0.324 175.301 174.900 0.129 0.000 1.266 285 G CA 0.096 45.260 45.100 0.106 0.000 0.844 285 G HN 1.193 nan 8.290 nan 0.000 0.571 286 G N -0.193 108.676 108.800 0.115 0.000 3.285 286 G HA2 0.356 4.316 3.960 -0.000 0.000 0.685 286 G HA3 0.356 4.316 3.960 -0.000 0.000 0.685 286 G C 0.512 175.486 174.900 0.124 0.000 0.938 286 G CA 0.085 45.250 45.100 0.109 0.000 0.778 286 G HN 1.641 nan 8.290 nan 0.000 0.515 287 G N 1.251 110.067 108.800 0.027 0.000 2.710 287 G HA2 0.773 4.733 3.960 -0.000 0.000 0.198 287 G HA3 0.773 4.733 3.960 -0.000 0.000 0.198 287 G C 1.798 176.642 174.900 -0.092 0.000 1.797 287 G CA 1.866 46.974 45.100 0.014 0.000 0.759 287 G HN 2.338 nan 8.290 nan 0.000 0.808 288 A N 0.763 123.472 122.820 -0.185 0.000 1.534 288 A HA -0.416 3.904 4.320 -0.000 0.000 0.355 288 A C 1.790 179.220 177.584 -0.257 0.000 4.590 288 A CA 3.030 54.876 52.037 -0.319 0.000 1.005 288 A CB -1.800 16.858 19.000 -0.570 0.000 0.635 288 A HN 0.791 nan 8.150 nan 0.000 0.506 289 H N -0.798 118.278 119.070 0.011 0.000 2.529 289 H HA 0.541 5.097 4.556 -0.000 0.000 0.277 289 H C 0.209 175.545 175.328 0.012 0.000 1.004 289 H CA -0.339 55.714 56.048 0.008 0.000 1.167 289 H CB -0.115 29.652 29.762 0.008 0.000 1.445 289 H HN 0.447 nan 8.280 nan 0.000 0.554 290 L N 0.618 121.893 121.223 0.088 0.000 2.506 290 L HA -0.068 4.272 4.340 -0.000 0.000 0.281 290 L C 1.290 178.191 176.870 0.053 0.000 1.228 290 L CA -0.084 54.801 54.840 0.076 0.000 0.850 290 L CB 0.787 42.900 42.059 0.090 0.000 1.110 290 L HN 0.262 nan 8.230 nan 0.000 0.496 291 S N 0.447 116.172 115.700 0.041 0.000 2.348 291 S HA -0.143 4.327 4.470 -0.000 0.000 0.221 291 S C 0.987 175.598 174.600 0.018 0.000 1.033 291 S CA 1.040 59.254 58.200 0.024 0.000 1.010 291 S CB -0.106 63.101 63.200 0.012 0.000 0.891 291 S HN 0.742 nan 8.310 nan 0.000 0.442 292 S N 2.715 118.432 115.700 0.028 0.000 2.481 292 S HA 0.120 4.590 4.470 -0.000 0.000 0.282 292 S C -1.756 172.846 174.600 0.004 0.000 1.243 292 S CA -1.513 56.703 58.200 0.027 0.000 1.078 292 S CB 0.697 63.946 63.200 0.081 0.000 0.916 292 S HN -0.019 nan 8.310 nan 0.000 0.495 293 P HA -0.135 nan 4.420 nan 0.000 0.216 293 P C 1.601 178.842 177.300 -0.097 0.000 1.153 293 P CA 0.521 63.587 63.100 -0.057 0.000 0.858 293 P CB 0.015 31.676 31.700 -0.065 0.000 0.789 294 L N -0.145 120.997 121.223 -0.134 0.000 2.012 294 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 294 L C 2.239 179.042 176.870 -0.111 0.000 1.073 294 L CA 2.290 56.985 54.840 -0.242 0.000 0.748 294 L CB -1.654 40.110 42.059 -0.491 0.000 0.891 294 L HN -0.090 nan 8.230 nan 0.000 0.431 295 A N -1.213 121.665 122.820 0.097 0.000 1.877 295 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 295 A C 2.523 180.008 177.584 -0.166 0.000 1.186 295 A CA 2.130 54.230 52.037 0.105 0.000 0.620 295 A CB -1.286 17.839 19.000 0.208 0.000 0.822 295 A HN 0.643 nan 8.150 nan 0.000 0.443 296 S N 0.245 115.890 115.700 -0.092 0.000 2.359 296 S HA -0.217 4.253 4.470 -0.000 0.000 0.222 296 S C 1.907 176.408 174.600 -0.164 0.000 1.038 296 S CA 1.919 60.051 58.200 -0.114 0.000 1.051 296 S CB -0.696 62.468 63.200 -0.060 0.000 0.944 296 S HN 0.461 nan 8.310 nan 0.000 0.433 297 I N 2.187 122.667 120.570 -0.150 0.000 2.315 297 I HA -0.044 4.126 4.170 -0.000 0.000 0.248 297 I C 2.996 179.000 176.117 -0.189 0.000 1.117 297 I CA 0.967 62.178 61.300 -0.148 0.000 1.404 297 I CB -0.658 37.266 38.000 -0.127 0.000 1.071 297 I HN 0.459 nan 8.210 nan 0.000 0.419 298 A N 0.936 123.610 122.820 -0.243 0.000 1.883 298 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 298 A C 2.543 179.917 177.584 -0.349 0.000 1.186 298 A CA 2.179 54.046 52.037 -0.282 0.000 0.624 298 A CB -0.903 17.939 19.000 -0.264 0.000 0.822 298 A HN 0.433 nan 8.150 nan 0.000 0.444 299 A N -0.529 121.985 122.820 -0.509 0.000 1.872 299 A HA -0.027 4.293 4.320 -0.000 0.000 0.214 299 A C 2.432 179.917 177.584 -0.166 0.000 1.187 299 A CA 2.395 54.197 52.037 -0.392 0.000 0.614 299 A CB -1.400 17.359 19.000 -0.402 0.000 0.826 299 A HN 0.650 nan 8.150 nan 0.000 0.442 300 T N -0.298 114.160 114.554 -0.160 0.000 2.674 300 T HA -0.145 4.205 4.350 -0.000 0.000 0.265 300 T C 1.238 175.882 174.700 -0.092 0.000 1.039 300 T CA 1.387 63.420 62.100 -0.111 0.000 1.150 300 T CB -0.622 68.181 68.868 -0.107 0.000 0.864 300 T HN 0.517 nan 8.240 nan 0.000 0.427 301 N N 1.519 120.156 118.700 -0.105 0.000 2.313 301 N HA 0.134 4.874 4.740 -0.000 0.000 0.207 301 N C -0.583 174.877 175.510 -0.084 0.000 1.141 301 N CA -0.082 52.913 53.050 -0.092 0.000 0.830 301 N CB 0.039 38.466 38.487 -0.100 0.000 1.008 301 N HN 0.462 nan 8.380 nan 0.000 0.481 302 K N 0.924 121.280 120.400 -0.073 0.000 4.075 302 K HA -0.156 4.164 4.320 -0.000 0.000 0.278 302 K C 0.320 176.893 176.600 -0.045 0.000 0.862 302 K CA 0.184 56.450 56.287 -0.037 0.000 0.762 302 K CB -1.057 31.433 32.500 -0.018 0.000 1.660 302 K HN 0.351 nan 8.250 nan 0.000 0.437 303 L N -0.391 120.793 121.223 -0.066 0.000 2.700 303 L HA 0.211 4.550 4.340 -0.000 0.000 0.234 303 L C 0.159 176.978 176.870 -0.085 0.000 1.156 303 L CA -0.361 54.418 54.840 -0.100 0.000 0.946 303 L CB 0.749 42.712 42.059 -0.159 0.000 1.216 303 L HN 0.614 nan 8.230 nan 0.000 0.493 304 C N -1.660 117.636 119.300 -0.007 0.000 2.885 304 C HA 0.109 4.569 4.460 -0.000 0.000 0.343 304 C C 0.341 175.395 174.990 0.107 0.000 1.168 304 C CA -0.409 58.648 59.018 0.065 0.000 1.106 304 C CB 1.612 29.424 27.740 0.120 0.000 1.362 304 C HN 0.411 nan 8.230 nan 0.000 0.514 305 Q N 1.172 121.022 119.800 0.084 0.000 2.459 305 Q HA 0.421 4.760 4.340 -0.000 0.000 0.260 305 Q C 0.365 176.314 176.000 -0.086 0.000 0.828 305 Q CA 1.102 56.913 55.803 0.012 0.000 0.987 305 Q CB 0.908 29.640 28.738 -0.010 0.000 1.216 305 Q HN 1.047 nan 8.270 nan 0.000 0.558 306 S N -0.943 114.731 115.700 -0.044 0.000 2.579 306 S HA 0.794 5.264 4.470 -0.000 0.000 0.272 306 S C -0.806 173.849 174.600 0.092 0.000 1.141 306 S CA -0.892 57.240 58.200 -0.113 0.000 0.843 306 S CB 1.406 64.506 63.200 -0.166 0.000 1.122 306 S HN 0.260 nan 8.310 nan 0.000 0.468 307 F N -0.865 119.115 119.950 0.050 0.000 2.675 307 F HA 0.882 5.409 4.527 -0.000 0.000 0.324 307 F C -1.289 174.618 175.800 0.178 0.000 1.106 307 F CA -1.022 57.037 58.000 0.097 0.000 0.970 307 F CB 1.547 40.615 39.000 0.113 0.000 1.385 307 F HN 0.883 nan 8.300 nan 0.000 0.489 308 Q N 0.742 120.836 119.800 0.489 0.000 2.295 308 Q HA 0.476 4.815 4.340 -0.000 0.000 0.268 308 Q C -1.527 174.817 176.000 0.574 0.000 1.010 308 Q CA -0.880 55.193 55.803 0.450 0.000 0.856 308 Q CB 2.062 31.026 28.738 0.378 0.000 1.349 308 Q HN 0.945 nan 8.270 nan 0.000 0.412 309 T N 0.181 115.020 114.554 0.474 0.000 2.868 309 T HA 0.703 5.053 4.350 -0.000 0.000 0.292 309 T C -0.094 174.793 174.700 0.313 0.000 1.028 309 T CA -0.276 62.000 62.100 0.294 0.000 1.059 309 T CB 0.256 69.278 68.868 0.256 0.000 0.991 309 T HN 0.567 nan 8.240 nan 0.000 0.531 310 F N -1.060 119.066 119.950 0.294 0.000 2.686 310 F HA 0.735 5.262 4.527 -0.000 0.000 0.311 310 F C -0.950 174.916 175.800 0.110 0.000 1.128 310 F CA -1.592 56.519 58.000 0.185 0.000 0.946 310 F CB 1.542 40.664 39.000 0.203 0.000 1.336 310 F HN 0.583 nan 8.300 nan 0.000 0.457 311 N N 1.702 120.566 118.700 0.273 0.000 2.750 311 N HA 0.433 5.173 4.740 -0.000 0.000 0.253 311 N C -1.743 173.770 175.510 0.005 0.000 1.408 311 N CA -0.177 52.921 53.050 0.079 0.000 0.780 311 N CB 0.376 38.829 38.487 -0.057 0.000 1.191 311 N HN 0.708 nan 8.380 nan 0.000 0.511 312 I N 0.594 121.226 120.570 0.103 0.000 2.638 312 I HA 0.216 4.386 4.170 -0.000 0.000 0.286 312 I C 0.008 175.879 176.117 -0.409 0.000 1.088 312 I CA -0.127 61.064 61.300 -0.182 0.000 1.397 312 I CB 0.876 38.803 38.000 -0.122 0.000 1.414 312 I HN 0.400 nan 8.210 nan 0.000 0.566 313 C N 5.749 124.561 119.300 -0.812 0.000 2.781 313 C HA 0.466 4.926 4.460 -0.000 0.000 0.348 313 C C -0.480 173.778 174.990 -1.221 0.000 1.051 313 C CA -0.613 57.809 59.018 -0.993 0.000 1.347 313 C CB -0.479 26.545 27.740 -1.193 0.000 1.846 313 C HN 0.618 nan 8.230 nan 0.000 0.473 314 Y N 1.304 121.386 120.300 -0.363 0.000 2.654 314 Y HA 0.654 5.204 4.550 -0.000 0.000 0.327 314 Y C 0.837 176.796 175.900 0.100 0.000 1.122 314 Y CA -1.122 56.950 58.100 -0.046 0.000 1.227 314 Y CB 0.750 39.195 38.460 -0.024 0.000 1.370 314 Y HN 0.633 nan 8.280 nan 0.000 0.528 315 A N 1.108 124.223 122.820 0.491 0.000 2.505 315 A HA 0.113 4.433 4.320 -0.000 0.000 0.271 315 A C 0.227 177.944 177.584 0.221 0.000 1.112 315 A CA 0.340 52.600 52.037 0.372 0.000 0.781 315 A CB -0.894 18.249 19.000 0.238 0.000 1.059 315 A HN 0.936 nan 8.150 nan 0.000 0.508 316 D N 0.020 120.551 120.400 0.218 0.000 3.059 316 D HA -0.157 4.483 4.640 -0.000 0.000 0.213 316 D C 0.350 176.747 176.300 0.162 0.000 1.144 316 D CA 2.067 56.170 54.000 0.173 0.000 0.975 316 D CB -1.235 39.648 40.800 0.139 0.000 1.125 316 D HN 0.799 nan 8.370 nan 0.000 0.412 317 T N -1.978 112.673 114.554 0.161 0.000 2.693 317 T HA 0.618 4.968 4.350 -0.000 0.000 0.304 317 T C -1.374 173.436 174.700 0.183 0.000 1.471 317 T CA 0.155 62.371 62.100 0.193 0.000 0.993 317 T CB 2.055 71.093 68.868 0.283 0.000 1.554 317 T HN 0.359 nan 8.240 nan 0.000 0.496 318 G N 0.845 109.812 108.800 0.278 0.000 2.616 318 G HA2 0.554 4.514 3.960 -0.000 0.000 0.294 318 G HA3 0.554 4.514 3.960 -0.000 0.000 0.294 318 G C -2.242 172.801 174.900 0.238 0.000 1.489 318 G CA -0.723 44.453 45.100 0.127 0.000 0.836 318 G HN 0.765 nan 8.290 nan 0.000 0.527 319 L N 1.028 122.377 121.223 0.209 0.000 2.305 319 L HA 0.657 4.997 4.340 -0.000 0.000 0.284 319 L C -0.628 176.397 176.870 0.258 0.000 1.013 319 L CA -0.876 54.122 54.840 0.264 0.000 0.819 319 L CB 1.819 44.088 42.059 0.350 0.000 1.227 319 L HN 0.415 nan 8.230 nan 0.000 0.417 320 L N 3.574 124.821 121.223 0.040 0.000 2.342 320 L HA 0.909 5.249 4.340 -0.000 0.000 0.276 320 L C -0.002 176.754 176.870 -0.190 0.000 0.997 320 L CA 0.434 55.176 54.840 -0.164 0.000 0.838 320 L CB 1.133 42.901 42.059 -0.484 0.000 1.224 320 L HN 0.693 nan 8.230 nan 0.000 0.416 321 G N 3.017 111.582 108.800 -0.392 0.000 2.649 321 G HA2 0.663 4.623 3.960 -0.000 0.000 0.078 321 G HA3 0.663 4.623 3.960 -0.000 0.000 0.078 321 G C -1.592 172.976 174.900 -0.554 0.000 1.110 321 G CA 0.178 45.236 45.100 -0.070 0.000 1.269 321 G HN 0.986 nan 8.290 nan 0.000 0.581 322 A N -0.834 121.844 122.820 -0.237 0.000 2.594 322 A HA 0.758 5.078 4.320 -0.000 0.000 0.295 322 A C -1.549 176.324 177.584 0.483 0.000 1.071 322 A CA -0.125 51.980 52.037 0.112 0.000 0.685 322 A CB 1.708 20.819 19.000 0.184 0.000 1.285 322 A HN 1.807 nan 8.150 nan 0.000 0.405 323 H N 0.438 119.830 119.070 0.537 0.000 2.637 323 H HA 0.814 5.370 4.556 -0.000 0.000 0.363 323 H C -1.238 174.334 175.328 0.407 0.000 1.131 323 H CA -1.335 54.950 56.048 0.395 0.000 1.183 323 H CB 1.118 31.232 29.762 0.586 0.000 1.637 323 H HN 0.957 nan 8.280 nan 0.000 0.531 324 F N 1.773 121.506 119.950 -0.362 0.000 2.685 324 F HA 0.741 5.268 4.527 -0.000 0.000 0.315 324 F C -1.991 173.516 175.800 -0.489 0.000 1.126 324 F CA -1.187 56.575 58.000 -0.397 0.000 0.950 324 F CB 0.771 39.727 39.000 -0.074 0.000 1.360 324 F HN 0.318 nan 8.300 nan 0.000 0.469 325 V N 1.442 121.328 119.914 -0.046 0.000 2.638 325 V HA 0.721 4.841 4.120 -0.000 0.000 0.306 325 V C -0.513 175.631 176.094 0.082 0.000 1.052 325 V CA -0.606 61.599 62.300 -0.158 0.000 0.885 325 V CB 1.311 32.914 31.823 -0.366 0.000 0.999 325 V HN 1.333 nan 8.190 nan 0.000 0.424 326 C N 0.806 120.177 119.300 0.119 0.000 3.306 326 C HA 0.652 5.112 4.460 -0.000 0.000 0.335 326 C C -0.531 174.520 174.990 0.100 0.000 1.382 326 C CA -1.075 58.010 59.018 0.111 0.000 1.254 326 C CB 1.111 28.924 27.740 0.122 0.000 1.555 326 C HN 0.789 nan 8.230 nan 0.000 0.463 327 D N 0.270 120.711 120.400 0.069 0.000 2.506 327 D HA 0.140 4.780 4.640 -0.000 0.000 0.234 327 D C 1.544 177.896 176.300 0.086 0.000 1.143 327 D CA 1.162 55.209 54.000 0.079 0.000 0.871 327 D CB 0.545 41.347 40.800 0.002 0.000 1.190 327 D HN 0.909 nan 8.370 nan 0.000 0.459 328 H N 2.172 121.264 119.070 0.038 0.000 2.437 328 H HA -0.221 4.335 4.556 -0.000 0.000 0.296 328 H C 1.279 176.626 175.328 0.032 0.000 1.121 328 H CA 1.523 57.595 56.048 0.040 0.000 1.255 328 H CB -0.045 29.735 29.762 0.029 0.000 1.366 328 H HN 0.330 nan 8.280 nan 0.000 0.512 329 M N 0.372 119.630 119.600 -0.570 0.000 2.659 329 M HA 0.097 4.577 4.480 -0.000 0.000 0.243 329 M C 1.272 177.466 176.300 -0.177 0.000 1.111 329 M CA 0.556 55.617 55.300 -0.398 0.000 1.070 329 M CB -0.162 32.163 32.600 -0.458 0.000 1.525 329 M HN 0.340 nan 8.290 nan 0.000 0.517 330 S N -0.473 115.162 115.700 -0.108 0.000 2.559 330 S HA 0.308 4.778 4.470 -0.000 0.000 0.226 330 S C 1.669 176.233 174.600 -0.060 0.000 1.000 330 S CA -0.246 57.902 58.200 -0.087 0.000 0.948 330 S CB 0.458 63.609 63.200 -0.082 0.000 0.870 330 S HN 0.381 nan 8.310 nan 0.000 0.497 331 I N 1.231 121.813 120.570 0.020 0.000 2.439 331 I HA -0.137 4.033 4.170 -0.000 0.000 0.251 331 I C 2.119 178.275 176.117 0.064 0.000 1.139 331 I CA 1.196 62.575 61.300 0.132 0.000 1.438 331 I CB -0.289 37.830 38.000 0.199 0.000 1.085 331 I HN 0.227 nan 8.210 nan 0.000 0.427 332 D N 1.306 121.709 120.400 0.005 0.000 2.075 332 D HA -0.202 4.438 4.640 -0.000 0.000 0.196 332 D C 1.807 178.075 176.300 -0.054 0.000 0.985 332 D CA 1.412 55.404 54.000 -0.013 0.000 0.834 332 D CB 0.138 40.916 40.800 -0.037 0.000 0.987 332 D HN 0.123 nan 8.370 nan 0.000 0.452 333 D N -0.170 120.165 120.400 -0.109 0.000 2.133 333 D HA -0.206 4.434 4.640 -0.000 0.000 0.192 333 D C 1.951 178.162 176.300 -0.149 0.000 1.001 333 D CA 0.925 54.845 54.000 -0.132 0.000 0.844 333 D CB -0.325 40.381 40.800 -0.157 0.000 0.944 333 D HN 0.242 nan 8.370 nan 0.000 0.447 334 M N -0.134 119.298 119.600 -0.280 0.000 2.117 334 M HA -0.124 4.356 4.480 -0.000 0.000 0.262 334 M C 2.004 177.972 176.300 -0.553 0.000 1.065 334 M CA 1.044 56.007 55.300 -0.562 0.000 1.114 334 M CB -0.292 31.727 32.600 -0.967 0.000 1.361 334 M HN -0.064 nan 8.290 nan 0.000 0.408 335 M N -0.779 118.655 119.600 -0.276 0.000 2.065 335 M HA -0.200 4.280 4.480 -0.000 0.000 0.259 335 M C 1.933 178.166 176.300 -0.111 0.000 1.069 335 M CA 1.866 57.109 55.300 -0.094 0.000 1.110 335 M CB -0.935 31.702 32.600 0.061 0.000 1.328 335 M HN 0.387 nan 8.290 nan 0.000 0.405 336 F N -0.534 119.292 119.950 -0.207 0.000 2.120 336 F HA -0.223 4.304 4.527 -0.000 0.000 0.300 336 F C 1.833 177.499 175.800 -0.224 0.000 1.095 336 F CA 1.921 59.814 58.000 -0.178 0.000 1.249 336 F CB -0.395 38.515 39.000 -0.150 0.000 0.995 336 F HN 0.004 nan 8.300 nan 0.000 0.480 337 V N 0.018 119.832 119.914 -0.166 0.000 2.535 337 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 337 V C 2.184 177.994 176.094 -0.474 0.000 1.045 337 V CA 1.261 63.394 62.300 -0.279 0.000 1.058 337 V CB -0.500 31.195 31.823 -0.214 0.000 0.689 337 V HN 0.446 nan 8.190 nan 0.000 0.461 338 L N 0.550 121.423 121.223 -0.583 0.000 2.012 338 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 338 L C 2.463 178.731 176.870 -1.004 0.000 1.073 338 L CA 2.026 56.366 54.840 -0.835 0.000 0.748 338 L CB -0.922 40.636 42.059 -0.836 0.000 0.891 338 L HN 0.314 nan 8.230 nan 0.000 0.431 339 Q N -0.145 119.217 119.800 -0.730 0.000 2.096 339 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 339 Q C 2.122 177.902 176.000 -0.366 0.000 0.982 339 Q CA 1.656 57.177 55.803 -0.470 0.000 0.850 339 Q CB -0.726 27.859 28.738 -0.256 0.000 0.901 339 Q HN 0.743 nan 8.270 nan 0.000 0.422 340 G N 0.705 109.262 108.800 -0.405 0.000 2.408 340 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 340 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 340 G C 1.426 176.226 174.900 -0.166 0.000 1.150 340 G CA 0.329 45.295 45.100 -0.224 0.000 0.776 340 G HN 0.156 nan 8.290 nan 0.000 0.542 341 Q N 0.102 119.714 119.800 -0.314 0.000 2.002 341 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 341 Q C 2.411 178.273 176.000 -0.229 0.000 0.988 341 Q CA 1.140 56.775 55.803 -0.281 0.000 0.843 341 Q CB -0.597 27.928 28.738 -0.355 0.000 0.908 341 Q HN 0.658 nan 8.270 nan 0.000 0.420 342 W N 0.294 121.332 121.300 -0.436 0.000 2.305 342 W HA -0.170 4.490 4.660 -0.000 0.000 0.308 342 W C 2.112 178.311 176.519 -0.533 0.000 1.226 342 W CA 0.953 57.929 57.345 -0.614 0.000 1.253 342 W CB -0.743 28.188 29.460 -0.883 0.000 1.146 342 W HN 0.231 nan 8.180 nan 0.000 0.507 343 M N -1.036 118.341 119.600 -0.371 0.000 2.248 343 M HA -0.026 4.454 4.480 -0.000 0.000 0.265 343 M C 2.124 177.857 176.300 -0.945 0.000 1.079 343 M CA 0.975 55.786 55.300 -0.814 0.000 1.150 343 M CB -1.388 30.314 32.600 -1.497 0.000 1.366 343 M HN -0.007 nan 8.290 nan 0.000 0.433 344 R N 0.947 121.114 120.500 -0.555 0.000 2.119 344 R HA -0.168 4.172 4.340 -0.000 0.000 0.246 344 R C 2.061 178.265 176.300 -0.160 0.000 1.146 344 R CA 1.484 57.515 56.100 -0.115 0.000 0.962 344 R CB -0.307 30.053 30.300 0.100 0.000 0.863 344 R HN 0.344 nan 8.270 nan 0.000 0.442 345 L N -0.515 120.605 121.223 -0.171 0.000 2.109 345 L HA -0.189 4.151 4.340 -0.000 0.000 0.207 345 L C 2.662 179.440 176.870 -0.153 0.000 1.086 345 L CA 0.831 55.600 54.840 -0.118 0.000 0.760 345 L CB -0.258 41.765 42.059 -0.061 0.000 0.910 345 L HN 0.398 nan 8.230 nan 0.000 0.437 346 C N -0.387 118.775 119.300 -0.231 0.000 2.413 346 C HA -0.156 4.304 4.460 -0.000 0.000 0.277 346 C C 2.882 177.612 174.990 -0.433 0.000 1.265 346 C CA 1.718 60.572 59.018 -0.273 0.000 1.752 346 C CB -0.816 26.769 27.740 -0.259 0.000 1.998 346 C HN 0.688 nan 8.230 nan 0.000 0.489 347 T N -2.847 111.398 114.554 -0.515 0.000 3.038 347 T HA 0.048 4.398 4.350 -0.000 0.000 0.244 347 T C 1.119 175.666 174.700 -0.256 0.000 1.016 347 T CA 1.115 62.840 62.100 -0.625 0.000 1.098 347 T CB -0.174 68.250 68.868 -0.739 0.000 0.954 347 T HN 0.495 nan 8.240 nan 0.000 0.469 348 S N 0.432 116.047 115.700 -0.141 0.000 3.073 348 S HA 0.678 5.148 4.470 -0.000 0.000 0.252 348 S C 0.498 175.086 174.600 -0.020 0.000 0.953 348 S CA -0.287 57.895 58.200 -0.030 0.000 1.105 348 S CB -0.233 62.998 63.200 0.052 0.000 1.070 348 S HN 0.737 nan 8.310 nan 0.000 0.574 349 A N 2.453 125.246 122.820 -0.044 0.000 2.598 349 A HA 0.429 4.749 4.320 -0.000 0.000 0.239 349 A C 0.837 178.416 177.584 -0.008 0.000 1.032 349 A CA 0.811 52.834 52.037 -0.024 0.000 0.760 349 A CB -0.417 18.568 19.000 -0.026 0.000 0.946 349 A HN 0.849 nan 8.150 nan 0.000 0.512 350 T N 0.285 114.838 114.554 -0.001 0.000 2.940 350 T HA 0.519 4.869 4.350 -0.000 0.000 0.288 350 T C 0.714 175.416 174.700 0.004 0.000 1.033 350 T CA -0.399 61.703 62.100 0.004 0.000 1.033 350 T CB 1.531 70.403 68.868 0.007 0.000 1.079 350 T HN 0.536 nan 8.240 nan 0.000 0.496 351 E N 0.724 120.927 120.200 0.006 0.000 2.085 351 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 351 E C 2.256 178.860 176.600 0.006 0.000 0.994 351 E CA 1.515 57.919 56.400 0.007 0.000 0.801 351 E CB -0.358 29.347 29.700 0.008 0.000 0.743 351 E HN 0.646 nan 8.360 nan 0.000 0.453 352 S N -0.037 115.665 115.700 0.004 0.000 2.338 352 S HA -0.211 4.259 4.470 -0.000 0.000 0.218 352 S C 1.875 176.476 174.600 0.001 0.000 1.032 352 S CA 1.522 59.723 58.200 0.002 0.000 0.999 352 S CB -0.423 62.777 63.200 0.000 0.000 0.905 352 S HN 0.507 nan 8.310 nan 0.000 0.439 353 E N 0.497 120.697 120.200 0.001 0.000 2.171 353 E HA -0.133 4.217 4.350 -0.000 0.000 0.197 353 E C 1.849 178.450 176.600 0.003 0.000 0.997 353 E CA 1.650 58.050 56.400 0.000 0.000 0.810 353 E CB -0.404 29.296 29.700 -0.000 0.000 0.738 353 E HN 0.448 nan 8.360 nan 0.000 0.467 354 V N 1.157 121.074 119.914 0.005 0.000 2.548 354 V HA -0.196 3.924 4.120 -0.000 0.000 0.249 354 V C 2.344 178.444 176.094 0.009 0.000 1.055 354 V CA 1.341 63.646 62.300 0.009 0.000 1.065 354 V CB -0.428 31.402 31.823 0.011 0.000 0.681 354 V HN 0.281 nan 8.190 nan 0.000 0.462 355 L N 0.358 121.584 121.223 0.006 0.000 2.141 355 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 355 L C 2.414 179.282 176.870 -0.004 0.000 1.094 355 L CA 1.835 56.677 54.840 0.003 0.000 0.763 355 L CB -0.898 41.161 42.059 0.001 0.000 0.908 355 L HN 0.216 nan 8.230 nan 0.000 0.437 356 R N -0.577 119.920 120.500 -0.005 0.000 2.070 356 R HA -0.086 4.254 4.340 -0.000 0.000 0.227 356 R C 2.097 178.391 176.300 -0.010 0.000 1.147 356 R CA 1.475 57.568 56.100 -0.011 0.000 0.924 356 R CB -1.054 29.240 30.300 -0.010 0.000 0.827 356 R HN 0.463 nan 8.270 nan 0.000 0.431 357 G N 1.736 110.534 108.800 -0.003 0.000 3.645 357 G HA2 -0.457 3.503 3.960 -0.000 0.000 0.296 357 G HA3 -0.457 3.503 3.960 -0.000 0.000 0.296 357 G C 1.208 176.112 174.900 0.006 0.000 1.048 357 G CA 1.856 46.959 45.100 0.005 0.000 0.970 357 G HN 0.450 nan 8.290 nan 0.000 1.298 358 K N 0.345 120.751 120.400 0.010 0.000 2.103 358 K HA -0.090 4.230 4.320 -0.000 0.000 0.207 358 K C 2.429 179.032 176.600 0.005 0.000 1.048 358 K CA 1.467 57.765 56.287 0.018 0.000 0.930 358 K CB -0.334 32.181 32.500 0.025 0.000 0.716 358 K HN 0.552 nan 8.250 nan 0.000 0.444 359 N N 0.776 119.468 118.700 -0.014 0.000 2.135 359 N HA -0.078 4.662 4.740 -0.000 0.000 0.186 359 N C 1.871 177.359 175.510 -0.036 0.000 1.027 359 N CA 0.542 53.567 53.050 -0.041 0.000 0.849 359 N CB -0.092 38.364 38.487 -0.052 0.000 1.002 359 N HN -0.009 nan 8.380 nan 0.000 0.425 360 L N 0.528 121.738 121.223 -0.022 0.000 2.043 360 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 360 L C 2.087 178.956 176.870 -0.002 0.000 1.075 360 L CA 0.821 55.653 54.840 -0.014 0.000 0.752 360 L CB -0.379 41.670 42.059 -0.016 0.000 0.891 360 L HN 0.218 nan 8.230 nan 0.000 0.432 361 L N -0.332 120.892 121.223 0.001 0.000 1.994 361 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 361 L C 2.757 179.634 176.870 0.011 0.000 1.071 361 L CA 1.758 56.600 54.840 0.002 0.000 0.745 361 L CB -0.592 41.471 42.059 0.006 0.000 0.892 361 L HN 0.114 nan 8.230 nan 0.000 0.431 362 R N -0.811 119.703 120.500 0.024 0.000 2.103 362 R HA -0.180 4.160 4.340 -0.000 0.000 0.242 362 R C 2.106 178.424 176.300 0.031 0.000 1.142 362 R CA 1.500 57.632 56.100 0.053 0.000 0.960 362 R CB -0.602 29.710 30.300 0.021 0.000 0.858 362 R HN 0.454 nan 8.270 nan 0.000 0.439 363 N N 0.503 119.197 118.700 -0.009 0.000 2.120 363 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 363 N C 1.760 177.285 175.510 0.024 0.000 1.024 363 N CA 1.442 54.490 53.050 -0.003 0.000 0.852 363 N CB -0.131 38.342 38.487 -0.023 0.000 1.003 363 N HN 0.247 nan 8.380 nan 0.000 0.424 364 A N 1.302 124.137 122.820 0.024 0.000 1.883 364 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 364 A C 2.229 179.842 177.584 0.049 0.000 1.186 364 A CA 1.078 53.136 52.037 0.035 0.000 0.624 364 A CB -0.725 18.286 19.000 0.019 0.000 0.822 364 A HN 0.268 nan 8.150 nan 0.000 0.444 365 L N -0.468 120.772 121.223 0.028 0.000 2.027 365 L HA -0.042 4.298 4.340 -0.000 0.000 0.206 365 L C 2.348 179.265 176.870 0.078 0.000 1.074 365 L CA 1.836 56.689 54.840 0.023 0.000 0.745 365 L CB -0.547 41.491 42.059 -0.036 0.000 0.898 365 L HN 0.120 nan 8.230 nan 0.000 0.433 366 V N -1.197 118.769 119.914 0.086 0.000 2.453 366 V HA -0.196 3.924 4.120 -0.000 0.000 0.247 366 V C 2.620 178.753 176.094 0.064 0.000 1.048 366 V CA 1.728 64.084 62.300 0.092 0.000 1.049 366 V CB -0.046 31.858 31.823 0.135 0.000 0.672 366 V HN 0.500 nan 8.190 nan 0.000 0.457 367 S N -1.306 114.431 115.700 0.062 0.000 2.383 367 S HA -0.208 4.262 4.470 -0.000 0.000 0.227 367 S C 1.942 176.566 174.600 0.040 0.000 1.026 367 S CA 1.626 59.853 58.200 0.045 0.000 0.981 367 S CB -0.315 62.913 63.200 0.045 0.000 0.818 367 S HN 0.820 nan 8.310 nan 0.000 0.472 368 H N 1.320 120.388 119.070 -0.004 0.000 2.353 368 H HA 0.129 4.685 4.556 -0.000 0.000 0.300 368 H C 0.762 176.083 175.328 -0.010 0.000 1.090 368 H CA 1.170 57.211 56.048 -0.011 0.000 1.327 368 H CB -0.236 29.513 29.762 -0.022 0.000 1.383 368 H HN 0.238 nan 8.280 nan 0.000 0.508 369 L N 1.671 122.831 121.223 -0.106 0.000 2.650 369 L HA 0.105 4.445 4.340 -0.000 0.000 0.239 369 L C -0.528 176.284 176.870 -0.098 0.000 1.412 369 L CA 0.090 54.857 54.840 -0.122 0.000 1.219 369 L CB -0.501 41.557 42.059 -0.002 0.000 1.534 369 L HN 0.342 nan 8.230 nan 0.000 0.430 370 D N 1.158 121.475 120.400 -0.139 0.000 2.479 370 D HA 0.574 5.213 4.640 -0.000 0.000 0.246 370 D C -0.202 176.048 176.300 -0.083 0.000 1.336 370 D CA 0.023 53.975 54.000 -0.079 0.000 0.967 370 D CB 1.448 42.221 40.800 -0.046 0.000 1.275 370 D HN 0.323 nan 8.370 nan 0.000 0.577 371 G N 1.857 110.619 108.800 -0.062 0.000 2.697 371 G HA2 0.014 3.974 3.960 -0.000 0.000 0.684 371 G HA3 0.014 3.974 3.960 -0.000 0.000 0.684 371 G C 0.889 175.754 174.900 -0.057 0.000 1.274 371 G CA -0.022 45.046 45.100 -0.054 0.000 0.806 371 G HN 0.664 nan 8.290 nan 0.000 0.644 372 T N -1.062 113.474 114.554 -0.031 0.000 2.684 372 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 372 T C 2.390 177.064 174.700 -0.042 0.000 1.036 372 T CA 3.001 65.087 62.100 -0.023 0.000 1.148 372 T CB -0.722 68.151 68.868 0.009 0.000 0.863 372 T HN 0.933 nan 8.240 nan 0.000 0.436 373 T N 3.217 117.746 114.554 -0.042 0.000 2.607 373 T HA -0.056 4.294 4.350 -0.000 0.000 0.267 373 T C -0.289 174.334 174.700 -0.127 0.000 1.049 373 T CA 1.939 63.986 62.100 -0.087 0.000 1.162 373 T CB -1.480 67.350 68.868 -0.063 0.000 0.863 373 T HN 0.418 nan 8.240 nan 0.000 0.424 374 P HA -0.020 nan 4.420 nan 0.000 0.216 374 P C 1.635 178.834 177.300 -0.169 0.000 1.150 374 P CA 0.605 63.577 63.100 -0.214 0.000 0.837 374 P CB -0.175 31.291 31.700 -0.390 0.000 0.786 375 V N -0.859 118.971 119.914 -0.140 0.000 2.379 375 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 375 V C 2.622 178.627 176.094 -0.149 0.000 1.044 375 V CA 1.812 64.045 62.300 -0.111 0.000 1.036 375 V CB -1.315 30.463 31.823 -0.076 0.000 0.664 375 V HN 0.260 nan 8.190 nan 0.000 0.453 376 C N 0.233 119.438 119.300 -0.158 0.000 2.413 376 C HA -0.204 4.256 4.460 -0.000 0.000 0.276 376 C C 2.826 177.483 174.990 -0.554 0.000 1.236 376 C CA 1.881 60.758 59.018 -0.235 0.000 1.735 376 C CB -0.851 26.838 27.740 -0.085 0.000 2.031 376 C HN 0.734 nan 8.230 nan 0.000 0.474 377 E N -0.047 119.890 120.200 -0.438 0.000 2.085 377 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 377 E C 1.617 177.914 176.600 -0.505 0.000 0.994 377 E CA 2.027 58.123 56.400 -0.505 0.000 0.801 377 E CB -0.368 29.354 29.700 0.037 0.000 0.743 377 E HN 0.708 nan 8.360 nan 0.000 0.453 378 D N -0.370 119.872 120.400 -0.263 0.000 2.178 378 D HA -0.104 4.536 4.640 -0.000 0.000 0.202 378 D C 1.765 177.938 176.300 -0.211 0.000 0.974 378 D CA 0.898 54.806 54.000 -0.155 0.000 0.841 378 D CB 0.062 40.853 40.800 -0.015 0.000 0.953 378 D HN 0.243 nan 8.370 nan 0.000 0.478 379 I N 0.127 120.518 120.570 -0.299 0.000 2.087 379 I HA -0.035 4.135 4.170 -0.000 0.000 0.231 379 I C 2.423 178.315 176.117 -0.375 0.000 1.058 379 I CA 1.059 62.197 61.300 -0.269 0.000 1.328 379 I CB -1.129 36.737 38.000 -0.224 0.000 1.079 379 I HN 0.194 nan 8.210 nan 0.000 0.397 380 G N 0.606 109.044 108.800 -0.604 0.000 2.674 380 G HA2 -0.452 3.508 3.960 -0.000 0.000 0.367 380 G HA3 -0.452 3.508 3.960 -0.000 0.000 0.367 380 G C 1.485 175.947 174.900 -0.730 0.000 1.087 380 G CA 1.364 45.771 45.100 -1.154 0.000 0.898 380 G HN 0.360 nan 8.290 nan 0.000 0.652 381 R N -0.059 120.007 120.500 -0.724 0.000 2.081 381 R HA 0.008 4.348 4.340 -0.000 0.000 0.235 381 R C 3.198 179.204 176.300 -0.491 0.000 1.131 381 R CA 1.779 57.567 56.100 -0.521 0.000 0.960 381 R CB -0.556 29.512 30.300 -0.388 0.000 0.856 381 R HN 0.459 nan 8.270 nan 0.000 0.436 382 S N 0.859 116.370 115.700 -0.315 0.000 2.355 382 S HA -0.097 4.373 4.470 -0.000 0.000 0.222 382 S C 1.890 176.424 174.600 -0.110 0.000 1.031 382 S CA 0.869 58.987 58.200 -0.137 0.000 0.993 382 S CB -0.134 63.145 63.200 0.132 0.000 0.859 382 S HN 0.159 nan 8.310 nan 0.000 0.453 383 L N 1.433 122.592 121.223 -0.107 0.000 2.043 383 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 383 L C 2.146 178.963 176.870 -0.088 0.000 1.075 383 L CA 1.294 56.091 54.840 -0.072 0.000 0.752 383 L CB -0.433 41.582 42.059 -0.073 0.000 0.891 383 L HN 0.326 nan 8.230 nan 0.000 0.432 384 L N -1.401 119.732 121.223 -0.150 0.000 2.056 384 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 384 L C 2.587 179.351 176.870 -0.177 0.000 1.078 384 L CA 1.886 56.656 54.840 -0.117 0.000 0.749 384 L CB -1.010 41.002 42.059 -0.080 0.000 0.901 384 L HN 0.506 nan 8.230 nan 0.000 0.433 385 T N -3.967 110.335 114.554 -0.419 0.000 2.901 385 T HA -0.100 4.250 4.350 -0.000 0.000 0.252 385 T C 1.688 176.218 174.700 -0.283 0.000 1.035 385 T CA 0.704 62.437 62.100 -0.611 0.000 1.142 385 T CB -0.488 67.508 68.868 -1.454 0.000 0.869 385 T HN 0.265 nan 8.240 nan 0.000 0.442 386 Y N 1.130 121.393 120.300 -0.062 0.000 2.441 386 Y HA 0.428 4.978 4.550 -0.000 0.000 0.288 386 Y C 2.529 178.426 175.900 -0.005 0.000 1.118 386 Y CA -0.082 58.026 58.100 0.013 0.000 1.215 386 Y CB 0.246 38.727 38.460 0.035 0.000 1.118 386 Y HN 0.475 nan 8.280 nan 0.000 0.547 387 G N 0.401 109.275 108.800 0.123 0.000 2.317 387 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.227 387 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.227 387 G C 0.259 175.186 174.900 0.044 0.000 1.042 387 G CA 0.098 45.236 45.100 0.063 0.000 0.623 387 G HN 0.283 nan 8.290 nan 0.000 0.509 388 R N -0.151 120.386 120.500 0.061 0.000 2.691 388 R HA 0.811 5.151 4.340 -0.000 0.000 0.259 388 R C 0.197 176.525 176.300 0.046 0.000 1.048 388 R CA -0.940 55.168 56.100 0.013 0.000 1.086 388 R CB 0.518 30.791 30.300 -0.045 0.000 1.166 388 R HN 0.215 nan 8.270 nan 0.000 0.526 389 R N 0.951 121.453 120.500 0.003 0.000 2.296 389 R HA 0.184 4.524 4.340 -0.000 0.000 0.323 389 R C -0.580 175.681 176.300 -0.065 0.000 1.067 389 R CA 0.104 56.213 56.100 0.014 0.000 0.946 389 R CB -0.054 30.240 30.300 -0.009 0.000 0.991 389 R HN 0.557 nan 8.270 nan 0.000 0.448 390 I N 8.777 129.280 120.570 -0.112 0.000 2.421 390 I HA 0.151 4.321 4.170 -0.000 0.000 0.291 390 I C -1.747 174.187 176.117 -0.305 0.000 1.089 390 I CA -1.788 59.263 61.300 -0.416 0.000 1.354 390 I CB 0.830 38.226 38.000 -1.008 0.000 1.413 390 I HN 0.512 nan 8.210 nan 0.000 0.513 391 P HA 0.178 nan 4.420 nan 0.000 0.276 391 P C 0.609 177.872 177.300 -0.062 0.000 1.261 391 P CA -0.502 62.537 63.100 -0.101 0.000 0.800 391 P CB 0.934 32.570 31.700 -0.107 0.000 1.066 392 L N 0.659 121.921 121.223 0.065 0.000 2.093 392 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 392 L C 2.437 179.363 176.870 0.093 0.000 1.085 392 L CA 2.061 57.006 54.840 0.176 0.000 0.755 392 L CB -1.067 41.063 42.059 0.118 0.000 0.904 392 L HN 0.411 nan 8.230 nan 0.000 0.435 393 A N -0.593 122.218 122.820 -0.016 0.000 1.972 393 A HA -0.260 4.060 4.320 -0.000 0.000 0.219 393 A C 2.246 179.801 177.584 -0.049 0.000 1.169 393 A CA 1.803 53.809 52.037 -0.050 0.000 0.635 393 A CB -0.487 18.466 19.000 -0.078 0.000 0.810 393 A HN 0.483 nan 8.150 nan 0.000 0.446 394 E N -0.881 119.248 120.200 -0.118 0.000 2.023 394 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 394 E C 1.813 178.344 176.600 -0.116 0.000 1.003 394 E CA 1.704 57.982 56.400 -0.202 0.000 0.809 394 E CB -0.322 29.136 29.700 -0.404 0.000 0.755 394 E HN 0.789 nan 8.360 nan 0.000 0.449 395 W N 0.790 122.075 121.300 -0.026 0.000 2.325 395 W HA -0.225 4.435 4.660 -0.000 0.000 0.299 395 W C 2.472 179.003 176.519 0.021 0.000 1.215 395 W CA 0.697 58.039 57.345 -0.004 0.000 1.244 395 W CB -0.233 29.234 29.460 0.012 0.000 1.140 395 W HN 0.284 nan 8.180 nan 0.000 0.523 396 E N 0.788 121.134 120.200 0.244 0.000 2.038 396 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 396 E C 2.257 178.934 176.600 0.129 0.000 1.000 396 E CA 2.253 58.761 56.400 0.181 0.000 0.803 396 E CB -0.913 28.859 29.700 0.120 0.000 0.750 396 E HN 0.039 nan 8.360 nan 0.000 0.448 397 S N -0.360 115.384 115.700 0.073 0.000 2.359 397 S HA -0.233 4.237 4.470 -0.000 0.000 0.224 397 S C 2.222 176.856 174.600 0.056 0.000 1.035 397 S CA 1.671 59.896 58.200 0.042 0.000 1.018 397 S CB -0.375 62.822 63.200 -0.004 0.000 0.876 397 S HN 0.325 nan 8.310 nan 0.000 0.448 398 R N -0.142 120.403 120.500 0.074 0.000 2.092 398 R HA 0.098 4.438 4.340 -0.000 0.000 0.231 398 R C 2.249 178.623 176.300 0.123 0.000 1.119 398 R CA 1.525 57.684 56.100 0.099 0.000 0.970 398 R CB -0.352 30.029 30.300 0.136 0.000 0.864 398 R HN 0.534 nan 8.270 nan 0.000 0.440 399 I N 0.131 120.790 120.570 0.147 0.000 2.133 399 I HA -0.248 3.922 4.170 -0.000 0.000 0.238 399 I C 2.462 178.633 176.117 0.089 0.000 1.074 399 I CA 1.349 62.721 61.300 0.120 0.000 1.342 399 I CB -0.385 37.694 38.000 0.132 0.000 1.053 399 I HN 0.207 nan 8.210 nan 0.000 0.404 400 A N 0.220 123.094 122.820 0.091 0.000 1.971 400 A HA -0.314 4.006 4.320 -0.000 0.000 0.222 400 A C 2.195 179.811 177.584 0.054 0.000 1.182 400 A CA 2.190 54.270 52.037 0.071 0.000 0.649 400 A CB -0.808 18.235 19.000 0.071 0.000 0.818 400 A HN 0.524 nan 8.150 nan 0.000 0.458 401 E N -0.452 119.780 120.200 0.053 0.000 2.204 401 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 401 E C -0.043 176.582 176.600 0.042 0.000 0.990 401 E CA 0.447 56.874 56.400 0.044 0.000 0.821 401 E CB -0.186 29.540 29.700 0.043 0.000 0.750 401 E HN 0.412 nan 8.360 nan 0.000 0.477 402 V N 3.629 123.571 119.914 0.047 0.000 2.479 402 V HA -0.029 4.091 4.120 -0.000 0.000 0.281 402 V C 0.387 176.501 176.094 0.033 0.000 1.031 402 V CA 0.136 62.460 62.300 0.041 0.000 1.038 402 V CB 0.397 32.246 31.823 0.043 0.000 0.981 402 V HN 0.203 nan 8.190 nan 0.000 0.478 403 D N 4.848 125.264 120.400 0.028 0.000 2.616 403 D HA 0.461 5.101 4.640 -0.000 0.000 0.260 403 D C 1.152 177.463 176.300 0.018 0.000 1.158 403 D CA -0.024 53.989 54.000 0.022 0.000 1.085 403 D CB 2.148 42.960 40.800 0.020 0.000 1.222 403 D HN 0.366 nan 8.370 nan 0.000 0.626 404 A N 0.381 123.209 122.820 0.013 0.000 1.927 404 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 404 A C 2.335 179.922 177.584 0.005 0.000 1.185 404 A CA 2.338 54.380 52.037 0.007 0.000 0.639 404 A CB -0.840 18.163 19.000 0.005 0.000 0.820 404 A HN 0.691 nan 8.150 nan 0.000 0.451 405 R N -0.614 119.891 120.500 0.009 0.000 2.081 405 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 405 R C 1.994 178.301 176.300 0.012 0.000 1.131 405 R CA 1.735 57.840 56.100 0.008 0.000 0.960 405 R CB -0.445 29.863 30.300 0.013 0.000 0.856 405 R HN 0.328 nan 8.270 nan 0.000 0.436 406 V N 0.197 120.123 119.914 0.019 0.000 2.332 406 V HA -0.250 3.869 4.120 -0.000 0.000 0.248 406 V C 2.355 178.465 176.094 0.027 0.000 1.055 406 V CA 1.739 64.056 62.300 0.028 0.000 1.038 406 V CB -0.340 31.503 31.823 0.034 0.000 0.651 406 V HN 0.197 nan 8.190 nan 0.000 0.450 407 V N 1.338 121.264 119.914 0.020 0.000 2.237 407 V HA -0.267 3.853 4.120 -0.000 0.000 0.245 407 V C 2.685 178.785 176.094 0.010 0.000 1.046 407 V CA 2.613 64.924 62.300 0.020 0.000 1.007 407 V CB -0.862 30.970 31.823 0.016 0.000 0.638 407 V HN 0.697 nan 8.190 nan 0.000 0.445 408 R N 0.255 120.746 120.500 -0.015 0.000 2.148 408 R HA -0.132 4.208 4.340 -0.000 0.000 0.227 408 R C 1.934 178.203 176.300 -0.050 0.000 1.103 408 R CA 1.711 57.779 56.100 -0.053 0.000 0.983 408 R CB -0.449 29.796 30.300 -0.090 0.000 0.874 408 R HN 0.528 nan 8.270 nan 0.000 0.451 409 E N 0.992 121.182 120.200 -0.016 0.000 2.017 409 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 409 E C 1.981 178.595 176.600 0.022 0.000 0.997 409 E CA 1.741 58.140 56.400 -0.002 0.000 0.804 409 E CB 0.101 29.809 29.700 0.014 0.000 0.757 409 E HN 0.125 nan 8.360 nan 0.000 0.448 410 V N 0.031 119.977 119.914 0.054 0.000 2.591 410 V HA -0.228 3.891 4.120 -0.000 0.000 0.249 410 V C 2.229 178.424 176.094 0.168 0.000 1.053 410 V CA 1.068 63.439 62.300 0.117 0.000 1.068 410 V CB -0.118 31.759 31.823 0.091 0.000 0.689 410 V HN 0.508 nan 8.190 nan 0.000 0.462 411 C N -0.540 118.829 119.300 0.116 0.000 2.446 411 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 411 C C 3.162 178.251 174.990 0.166 0.000 1.275 411 C CA 1.476 60.605 59.018 0.185 0.000 1.727 411 C CB -0.880 26.942 27.740 0.136 0.000 2.010 411 C HN 0.577 nan 8.230 nan 0.000 0.486 412 S N 0.169 115.902 115.700 0.055 0.000 2.370 412 S HA -0.225 4.245 4.470 -0.000 0.000 0.226 412 S C 1.925 176.539 174.600 0.022 0.000 1.033 412 S CA 1.540 59.758 58.200 0.029 0.000 1.011 412 S CB -0.348 62.809 63.200 -0.072 0.000 0.852 412 S HN 0.666 nan 8.310 nan 0.000 0.457 413 K N -0.401 119.965 120.400 -0.058 0.000 2.063 413 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 413 K C 1.552 177.875 176.600 -0.462 0.000 1.048 413 K CA 1.589 57.718 56.287 -0.265 0.000 0.928 413 K CB -0.145 32.139 32.500 -0.359 0.000 0.713 413 K HN 0.441 nan 8.250 nan 0.000 0.442 414 Y N -1.934 118.257 120.300 -0.181 0.000 2.479 414 Y HA 0.099 4.649 4.550 -0.000 0.000 0.283 414 Y C 1.586 177.243 175.900 -0.404 0.000 1.109 414 Y CA 0.443 58.323 58.100 -0.367 0.000 1.239 414 Y CB 0.270 38.397 38.460 -0.555 0.000 1.108 414 Y HN -0.028 nan 8.280 nan 0.000 0.548 415 F N -2.868 117.017 119.950 -0.109 0.000 2.419 415 F HA 0.081 4.608 4.527 -0.000 0.000 0.283 415 F C 0.426 176.147 175.800 -0.131 0.000 1.044 415 F CA -0.421 57.444 58.000 -0.225 0.000 1.376 415 F CB -0.048 38.750 39.000 -0.337 0.000 1.131 415 F HN -0.235 nan 8.300 nan 0.000 0.585 416 Y N 2.800 123.128 120.300 0.047 0.000 2.650 416 Y HA 0.027 4.577 4.550 -0.000 0.000 0.331 416 Y C 0.441 176.367 175.900 0.043 0.000 1.165 416 Y CA -0.220 57.887 58.100 0.013 0.000 1.473 416 Y CB -0.357 38.092 38.460 -0.018 0.000 1.224 416 Y HN 0.202 nan 8.280 nan 0.000 0.533 417 D N 3.017 123.171 120.400 -0.409 0.000 2.705 417 D HA -0.207 4.433 4.640 -0.000 0.000 0.240 417 D C -1.248 175.028 176.300 -0.040 0.000 1.137 417 D CA 0.781 54.657 54.000 -0.207 0.000 0.677 417 D CB -0.507 40.177 40.800 -0.193 0.000 1.049 417 D HN 0.550 nan 8.370 nan 0.000 0.427 418 Q N -0.081 119.710 119.800 -0.015 0.000 2.375 418 Q HA 0.436 4.776 4.340 -0.000 0.000 0.271 418 Q C -0.325 175.721 176.000 0.076 0.000 1.074 418 Q CA -0.633 55.178 55.803 0.014 0.000 0.808 418 Q CB 1.928 30.642 28.738 -0.040 0.000 1.327 418 Q HN 0.313 nan 8.270 nan 0.000 0.441 419 C N 4.174 123.558 119.300 0.140 0.000 2.566 419 C HA 0.347 4.807 4.460 -0.000 0.000 0.393 419 C C -1.670 173.514 174.990 0.323 0.000 1.309 419 C CA -0.839 58.336 59.018 0.261 0.000 1.801 419 C CB -0.684 27.236 27.740 0.299 0.000 2.493 419 C HN 0.484 nan 8.230 nan 0.000 0.575 420 P HA 0.391 nan 4.420 nan 0.000 0.284 420 P C -0.767 176.768 177.300 0.392 0.000 1.258 420 P CA -0.161 63.144 63.100 0.341 0.000 0.824 420 P CB 0.863 32.690 31.700 0.212 0.000 1.038 421 A N 2.250 125.260 122.820 0.318 0.000 2.409 421 A HA 0.459 4.779 4.320 -0.000 0.000 0.267 421 A C -0.066 177.617 177.584 0.164 0.000 1.127 421 A CA -0.206 51.878 52.037 0.079 0.000 0.795 421 A CB -0.250 18.645 19.000 -0.174 0.000 1.061 421 A HN 0.360 nan 8.150 nan 0.000 0.502 422 V N 1.469 121.486 119.914 0.172 0.000 2.628 422 V HA 0.794 4.914 4.120 -0.000 0.000 0.306 422 V C 0.297 176.450 176.094 0.099 0.000 1.045 422 V CA -0.090 62.304 62.300 0.156 0.000 0.905 422 V CB 1.698 33.640 31.823 0.198 0.000 0.997 422 V HN 1.280 nan 8.190 nan 0.000 0.436 423 A N 2.599 125.465 122.820 0.077 0.000 2.427 423 A HA 0.913 5.233 4.320 -0.000 0.000 0.298 423 A C -0.205 177.442 177.584 0.106 0.000 1.036 423 A CA -0.060 52.031 52.037 0.090 0.000 0.701 423 A CB 1.771 20.819 19.000 0.079 0.000 1.250 423 A HN 1.169 nan 8.150 nan 0.000 0.412 424 G N 0.036 108.938 108.800 0.169 0.000 2.498 424 G HA2 0.749 4.709 3.960 -0.000 0.000 0.312 424 G HA3 0.749 4.709 3.960 -0.000 0.000 0.312 424 G C -1.333 173.786 174.900 0.366 0.000 1.230 424 G CA -0.715 44.508 45.100 0.205 0.000 0.968 424 G HN 1.102 nan 8.290 nan 0.000 0.481 425 F N 0.584 120.601 119.950 0.111 0.000 2.639 425 F HA 0.503 5.030 4.527 -0.000 0.000 0.320 425 F C 0.414 176.237 175.800 0.038 0.000 1.128 425 F CA 0.499 58.534 58.000 0.059 0.000 1.037 425 F CB 1.544 40.515 39.000 -0.048 0.000 1.288 425 F HN 1.443 nan 8.300 nan 0.000 0.463 426 G N 4.948 113.681 108.800 -0.111 0.000 2.416 426 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.203 426 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.203 426 G C -3.225 171.672 174.900 -0.005 0.000 1.227 426 G CA -0.724 44.256 45.100 -0.201 0.000 1.041 426 G HN 0.418 nan 8.290 nan 0.000 0.546 427 P HA 0.395 nan 4.420 nan 0.000 0.247 427 P C 0.661 178.026 177.300 0.107 0.000 1.756 427 P CA -0.033 63.094 63.100 0.045 0.000 1.117 427 P CB -0.826 30.884 31.700 0.017 0.000 1.869 428 I N -2.113 118.523 120.570 0.111 0.000 3.927 428 I HA 0.313 4.483 4.170 -0.000 0.000 0.332 428 I C 1.505 177.692 176.117 0.117 0.000 1.485 428 I CA -0.276 61.101 61.300 0.128 0.000 1.131 428 I CB -0.072 38.015 38.000 0.145 0.000 1.092 428 I HN -0.006 nan 8.210 nan 0.000 0.410 429 E N 1.764 122.029 120.200 0.108 0.000 2.136 429 E HA -0.328 4.022 4.350 -0.000 0.000 0.202 429 E C 1.973 178.627 176.600 0.089 0.000 1.019 429 E CA 1.876 58.332 56.400 0.094 0.000 0.819 429 E CB 0.050 29.806 29.700 0.094 0.000 0.739 429 E HN 0.745 nan 8.360 nan 0.000 0.458 430 Q N 0.004 119.863 119.800 0.098 0.000 2.319 430 Q HA 0.060 4.400 4.340 -0.000 0.000 0.202 430 Q C -0.224 175.825 176.000 0.082 0.000 0.896 430 Q CA -0.396 55.453 55.803 0.076 0.000 0.942 430 Q CB 0.347 29.122 28.738 0.062 0.000 1.083 430 Q HN 0.172 nan 8.270 nan 0.000 0.510 431 L N 3.020 124.305 121.223 0.103 0.000 2.559 431 L HA 0.136 4.476 4.340 -0.000 0.000 0.274 431 L C -2.289 174.635 176.870 0.091 0.000 1.205 431 L CA -0.978 53.930 54.840 0.112 0.000 0.907 431 L CB 0.327 42.459 42.059 0.122 0.000 1.153 431 L HN -0.046 nan 8.230 nan 0.000 0.490 432 P HA -0.016 nan 4.420 nan 0.000 0.265 432 P C -0.935 176.408 177.300 0.072 0.000 1.187 432 P CA -0.082 63.056 63.100 0.063 0.000 0.766 432 P CB 0.307 32.037 31.700 0.050 0.000 0.820 433 D N 0.907 121.349 120.400 0.070 0.000 2.478 433 D HA -0.153 4.487 4.640 -0.000 0.000 0.234 433 D C 0.879 177.242 176.300 0.105 0.000 1.154 433 D CA 0.364 54.420 54.000 0.094 0.000 0.874 433 D CB 0.284 41.133 40.800 0.081 0.000 1.198 433 D HN 0.392 nan 8.370 nan 0.000 0.455 434 Y N 3.083 123.412 120.300 0.049 0.000 2.165 434 Y HA -0.242 4.308 4.550 -0.000 0.000 0.286 434 Y C 1.885 177.821 175.900 0.060 0.000 1.155 434 Y CA 1.580 59.712 58.100 0.054 0.000 1.164 434 Y CB -0.069 38.416 38.460 0.042 0.000 0.978 434 Y HN 0.491 nan 8.280 nan 0.000 0.513 435 N N 0.234 119.055 118.700 0.201 0.000 2.094 435 N HA -0.200 4.540 4.740 -0.000 0.000 0.191 435 N C 1.837 177.363 175.510 0.027 0.000 1.023 435 N CA 1.671 54.801 53.050 0.133 0.000 0.857 435 N CB -0.278 38.287 38.487 0.130 0.000 1.013 435 N HN 0.471 nan 8.380 nan 0.000 0.426 436 R N 0.200 120.705 120.500 0.008 0.000 2.100 436 R HA 0.168 4.507 4.340 -0.000 0.000 0.220 436 R C 2.336 178.603 176.300 -0.055 0.000 1.091 436 R CA 0.206 56.300 56.100 -0.009 0.000 0.986 436 R CB -0.164 30.146 30.300 0.017 0.000 0.888 436 R HN 0.196 nan 8.270 nan 0.000 0.444 437 I N 0.778 121.289 120.570 -0.098 0.000 2.151 437 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 437 I C 2.601 178.598 176.117 -0.200 0.000 1.080 437 I CA 1.415 62.619 61.300 -0.159 0.000 1.339 437 I CB -0.213 37.644 38.000 -0.238 0.000 1.039 437 I HN 0.017 nan 8.210 nan 0.000 0.409 438 R N 0.471 120.810 120.500 -0.269 0.000 2.115 438 R HA -0.067 4.273 4.340 -0.000 0.000 0.230 438 R C 2.205 178.483 176.300 -0.035 0.000 1.111 438 R CA 1.629 57.633 56.100 -0.160 0.000 0.976 438 R CB -0.554 29.711 30.300 -0.057 0.000 0.870 438 R HN 0.134 nan 8.270 nan 0.000 0.445 439 S N -1.031 114.622 115.700 -0.078 0.000 2.461 439 S HA 0.090 4.560 4.470 -0.000 0.000 0.228 439 S C 1.430 175.709 174.600 -0.534 0.000 1.005 439 S CA 0.776 58.836 58.200 -0.233 0.000 0.942 439 S CB 0.005 63.145 63.200 -0.100 0.000 0.776 439 S HN 0.633 nan 8.310 nan 0.000 0.514 440 G N 0.431 109.072 108.800 -0.266 0.000 2.848 440 G HA2 0.008 3.968 3.960 -0.000 0.000 0.208 440 G HA3 0.008 3.968 3.960 -0.000 0.000 0.208 440 G C 0.921 175.705 174.900 -0.194 0.000 1.152 440 G CA 0.097 45.072 45.100 -0.209 0.000 0.789 440 G HN 0.374 nan 8.290 nan 0.000 0.531 441 M N 0.348 119.825 119.600 -0.206 0.000 2.431 441 M HA 0.337 4.817 4.480 -0.000 0.000 0.237 441 M C -0.194 175.933 176.300 -0.288 0.000 1.130 441 M CA -0.151 55.058 55.300 -0.151 0.000 1.002 441 M CB -0.857 31.718 32.600 -0.042 0.000 1.524 441 M HN 0.332 nan 8.290 nan 0.000 0.482 442 F N -2.576 117.197 119.950 -0.294 0.000 2.645 442 F HA 0.709 5.236 4.527 -0.000 0.000 0.310 442 F C -1.925 173.973 175.800 0.163 0.000 1.102 442 F CA -1.719 56.061 58.000 -0.367 0.000 0.952 442 F CB 0.730 39.496 39.000 -0.390 0.000 1.326 442 F HN -0.165 nan 8.300 nan 0.000 0.456 443 W N 4.164 125.705 121.300 0.400 0.000 2.429 443 W HA 0.512 5.172 4.660 -0.000 0.000 0.314 443 W C 0.787 177.594 176.519 0.479 0.000 1.062 443 W CA -1.737 55.798 57.345 0.317 0.000 1.211 443 W CB 1.548 31.181 29.460 0.289 0.000 1.305 443 W HN 0.674 nan 8.180 nan 0.000 0.476 444 L N 2.865 124.417 121.223 0.548 0.000 2.081 444 L HA -0.287 4.053 4.340 -0.000 0.000 0.212 444 L C 2.668 179.702 176.870 0.274 0.000 1.080 444 L CA 1.755 56.821 54.840 0.376 0.000 0.754 444 L CB -0.574 41.633 42.059 0.246 0.000 0.893 444 L HN 0.440 nan 8.230 nan 0.000 0.433 445 R N 0.037 120.688 120.500 0.251 0.000 2.120 445 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 445 R C 1.314 177.790 176.300 0.293 0.000 1.123 445 R CA 0.704 56.920 56.100 0.194 0.000 0.975 445 R CB -0.555 29.788 30.300 0.071 0.000 0.866 445 R HN 0.159 nan 8.270 nan 0.000 0.446 446 F N 0.000 120.145 119.950 0.324 0.000 2.286 446 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 446 F CA 0.000 58.157 58.000 0.262 0.000 1.383 446 F CB 0.000 39.182 39.000 0.303 0.000 1.145 446 F HN 0.000 nan 8.300 nan 0.000 0.574