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 2de3_1_B DATA FIRST_RESID 18 DATA SEQUENCE IRDTLTYSNS PVPNALLTAS ESGFLDAAGI ELDVLSGQQG TVHFTYDQPA DATA SEQUENCE YTRFGGEIPP LLSEGLRAPG RTRLLGITPL LGRQGFFVRD DSPITAAADL DATA SEQUENCE AGRRIGVSAS AIRILRGQLG DYLELDPWRQ TLVALGSWEA RALLHTLEHG DATA SEQUENCE ELGVDDVELV PISSPGVDVP AEQLEESATV KGADLFPDVA RGQAAVLASG DATA SEQUENCE DVDALYSWLP WAGELQATGA RPVVDLGLDE RNAYASVWTV SSGLVRQRPG DATA SEQUENCE LVQRLVDAAV DAGLWARDHS DAVTSLHAAN LGVSTGAVGQ GFGADFQQRL DATA SEQUENCE VPRLDHDALA LLERTQQFLL TNNLLQEPVA LDQWAAPEFL NNSLNRH 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 18 I HA 0.000 nan 4.170 nan 0.000 0.288 18 I C 0.000 176.116 176.117 -0.001 0.000 1.063 18 I CA 0.000 61.296 61.300 -0.007 0.000 1.566 18 I CB 0.000 37.997 38.000 -0.006 0.000 1.214 19 R N 1.741 122.242 120.500 0.001 0.000 2.487 19 R HA 0.425 4.765 4.340 0.000 0.000 0.272 19 R C -0.882 175.423 176.300 0.009 0.000 0.928 19 R CA -0.144 55.959 56.100 0.004 0.000 1.077 19 R CB 1.265 31.567 30.300 0.004 0.000 1.265 19 R HN 0.438 nan 8.270 nan 0.000 0.537 20 D N 1.074 121.480 120.400 0.010 0.000 2.934 20 D HA 0.286 4.926 4.640 0.000 0.000 0.230 20 D C -1.181 175.131 176.300 0.020 0.000 1.204 20 D CA -0.267 53.742 54.000 0.015 0.000 0.873 20 D CB 2.660 43.468 40.800 0.012 0.000 1.645 20 D HN -0.098 nan 8.370 nan 0.000 0.502 21 T N 1.694 116.267 114.554 0.031 0.000 2.848 21 T HA 0.567 4.917 4.350 0.000 0.000 0.285 21 T C -0.069 174.670 174.700 0.065 0.000 0.995 21 T CA -0.525 61.601 62.100 0.044 0.000 0.970 21 T CB 1.205 70.101 68.868 0.046 0.000 0.976 21 T HN 0.117 nan 8.240 nan 0.000 0.441 22 L N 2.630 123.904 121.223 0.084 0.000 2.354 22 L HA 0.648 4.988 4.340 0.000 0.000 0.269 22 L C 0.775 177.766 176.870 0.202 0.000 1.005 22 L CA -1.173 53.743 54.840 0.126 0.000 0.819 22 L CB 2.216 44.340 42.059 0.108 0.000 1.311 22 L HN 0.692 nan 8.230 nan 0.000 0.423 23 T N -1.237 113.477 114.554 0.267 0.000 2.913 23 T HA 0.588 4.938 4.350 0.000 0.000 0.287 23 T C -0.639 174.377 174.700 0.526 0.000 1.008 23 T CA -0.394 61.923 62.100 0.362 0.000 1.067 23 T CB 1.404 70.461 68.868 0.316 0.000 0.996 23 T HN 0.633 nan 8.240 nan 0.000 0.513 24 Y N -0.780 119.715 120.300 0.324 0.000 2.788 24 Y HA 0.698 5.248 4.550 0.000 0.000 0.335 24 Y C -1.161 174.947 175.900 0.346 0.000 1.287 24 Y CA -0.804 57.452 58.100 0.260 0.000 1.068 24 Y CB 0.907 39.447 38.460 0.134 0.000 1.340 24 Y HN 1.178 nan 8.280 nan 0.000 0.449 25 S N 1.100 116.733 115.700 -0.111 0.000 2.611 25 S HA 0.586 5.056 4.470 0.000 0.000 0.270 25 S C -2.336 172.387 174.600 0.204 0.000 1.131 25 S CA -0.756 57.345 58.200 -0.166 0.000 0.826 25 S CB 1.700 65.044 63.200 0.240 0.000 1.095 25 S HN 1.466 nan 8.310 nan 0.000 0.461 26 N N 0.213 119.038 118.700 0.207 0.000 2.331 26 N HA 0.463 5.203 4.740 0.000 0.000 0.280 26 N C -1.032 174.655 175.510 0.294 0.000 1.155 26 N CA -0.669 52.558 53.050 0.296 0.000 0.822 26 N CB 1.910 40.522 38.487 0.208 0.000 1.619 26 N HN 0.583 nan 8.380 nan 0.000 0.476 27 S N 0.405 116.294 115.700 0.315 0.000 2.655 27 S HA 0.369 4.839 4.470 0.000 0.000 0.265 27 S C -2.285 172.360 174.600 0.075 0.000 1.240 27 S CA -0.790 57.569 58.200 0.265 0.000 0.986 27 S CB 0.450 63.802 63.200 0.255 0.000 0.985 27 S HN 0.504 nan 8.310 nan 0.000 0.562 28 P HA 0.199 nan 4.420 nan 0.000 0.226 28 P C -0.963 176.198 177.300 -0.231 0.000 1.783 28 P CA 0.012 63.020 63.100 -0.154 0.000 0.980 28 P CB -0.423 31.023 31.700 -0.424 0.000 1.967 29 V N -2.267 117.499 119.914 -0.247 0.000 3.078 29 V HA 0.788 4.908 4.120 0.000 0.000 0.311 29 V C -2.853 172.759 176.094 -0.803 0.000 1.138 29 V CA -3.258 58.664 62.300 -0.629 0.000 1.007 29 V CB 2.456 34.016 31.823 -0.438 0.000 1.045 29 V HN -0.094 nan 8.190 nan 0.000 0.432 30 P HA 0.276 nan 4.420 nan 0.000 0.276 30 P C -1.101 175.865 177.300 -0.557 0.000 1.243 30 P CA 0.364 62.875 63.100 -0.981 0.000 0.768 30 P CB 0.356 31.332 31.700 -1.206 0.000 0.856 31 N N 1.616 120.130 118.700 -0.309 0.000 2.504 31 N HA 0.234 4.974 4.740 0.000 0.000 0.268 31 N C -0.065 175.158 175.510 -0.478 0.000 1.184 31 N CA -0.808 51.769 53.050 -0.788 0.000 0.875 31 N CB 1.318 38.983 38.487 -1.370 0.000 1.630 31 N HN 0.182 nan 8.380 nan 0.000 0.486 32 A N 0.786 123.286 122.820 -0.533 0.000 2.119 32 A HA -0.005 4.315 4.320 0.000 0.000 0.216 32 A C 1.842 179.222 177.584 -0.340 0.000 1.152 32 A CA 0.544 52.402 52.037 -0.299 0.000 0.708 32 A CB -0.409 18.468 19.000 -0.205 0.000 0.805 32 A HN 0.577 nan 8.150 nan 0.000 0.460 33 L N -0.699 120.263 121.223 -0.436 0.000 2.027 33 L HA -0.060 4.280 4.340 0.000 0.000 0.206 33 L C 2.184 178.920 176.870 -0.222 0.000 1.074 33 L CA 1.967 56.594 54.840 -0.355 0.000 0.745 33 L CB -0.557 41.330 42.059 -0.287 0.000 0.898 33 L HN 0.335 nan 8.230 nan 0.000 0.433 34 L N -0.982 120.126 121.223 -0.193 0.000 2.046 34 L HA -0.157 4.183 4.340 0.000 0.000 0.208 34 L C 2.285 179.058 176.870 -0.162 0.000 1.077 34 L CA 2.402 57.148 54.840 -0.158 0.000 0.747 34 L CB -1.032 40.907 42.059 -0.199 0.000 0.896 34 L HN 0.348 nan 8.230 nan 0.000 0.432 35 T N -0.020 114.444 114.554 -0.149 0.000 2.684 35 T HA -0.181 4.169 4.350 0.000 0.000 0.267 35 T C 1.910 176.587 174.700 -0.038 0.000 1.036 35 T CA 1.489 63.568 62.100 -0.034 0.000 1.148 35 T CB -0.627 68.272 68.868 0.051 0.000 0.863 35 T HN 0.531 nan 8.240 nan 0.000 0.436 36 A N 0.858 123.619 122.820 -0.098 0.000 1.933 36 A HA -0.077 4.243 4.320 0.000 0.000 0.218 36 A C 2.560 180.133 177.584 -0.019 0.000 1.175 36 A CA 2.060 54.066 52.037 -0.052 0.000 0.628 36 A CB -0.939 18.009 19.000 -0.085 0.000 0.814 36 A HN 0.446 nan 8.150 nan 0.000 0.444 37 S N -0.656 114.988 115.700 -0.094 0.000 2.345 37 S HA -0.134 4.336 4.470 0.000 0.000 0.220 37 S C 1.882 176.431 174.600 -0.085 0.000 1.031 37 S CA 1.406 59.533 58.200 -0.121 0.000 0.996 37 S CB -0.329 62.731 63.200 -0.233 0.000 0.882 37 S HN 0.558 nan 8.310 nan 0.000 0.445 38 E N 1.198 121.357 120.200 -0.067 0.000 2.274 38 E HA -0.018 4.332 4.350 0.000 0.000 0.194 38 E C 2.090 178.666 176.600 -0.040 0.000 0.996 38 E CA 1.026 57.403 56.400 -0.038 0.000 0.840 38 E CB -0.307 29.383 29.700 -0.016 0.000 0.772 38 E HN 0.717 nan 8.360 nan 0.000 0.491 39 S N -1.177 114.486 115.700 -0.060 0.000 2.575 39 S HA 0.267 4.737 4.470 0.000 0.000 0.215 39 S C 1.533 175.957 174.600 -0.292 0.000 0.966 39 S CA 0.515 58.609 58.200 -0.177 0.000 0.911 39 S CB 0.548 63.543 63.200 -0.343 0.000 0.780 39 S HN 0.256 nan 8.310 nan 0.000 0.514 40 G N 0.452 109.137 108.800 -0.191 0.000 2.175 40 G HA2 -0.271 3.689 3.960 0.000 0.000 0.244 40 G HA3 -0.271 3.689 3.960 0.000 0.000 0.244 40 G C 0.360 175.082 174.900 -0.296 0.000 0.982 40 G CA 0.191 45.140 45.100 -0.251 0.000 0.641 40 G HN 0.507 nan 8.290 nan 0.000 0.527 41 F N 0.452 120.255 119.950 -0.246 0.000 2.234 41 F HA 0.224 4.751 4.527 0.000 0.000 0.299 41 F C 2.729 178.459 175.800 -0.117 0.000 1.087 41 F CA 1.609 59.494 58.000 -0.192 0.000 1.340 41 F CB -0.224 38.658 39.000 -0.197 0.000 1.031 41 F HN 0.251 nan 8.300 nan 0.000 0.500 42 L N -0.556 120.702 121.223 0.057 0.000 2.109 42 L HA -0.177 4.163 4.340 0.000 0.000 0.207 42 L C 2.021 178.879 176.870 -0.019 0.000 1.086 42 L CA 1.394 56.245 54.840 0.018 0.000 0.760 42 L CB -0.557 41.493 42.059 -0.016 0.000 0.910 42 L HN 0.080 nan 8.230 nan 0.000 0.437 43 D N 0.298 120.665 120.400 -0.054 0.000 2.117 43 D HA -0.196 4.444 4.640 0.000 0.000 0.197 43 D C 2.141 178.402 176.300 -0.065 0.000 0.987 43 D CA 1.300 55.262 54.000 -0.063 0.000 0.829 43 D CB 0.178 40.926 40.800 -0.087 0.000 0.961 43 D HN 0.247 nan 8.370 nan 0.000 0.460 44 A N -0.093 122.673 122.820 -0.091 0.000 2.067 44 A HA 0.176 4.496 4.320 0.000 0.000 0.219 44 A C 2.101 179.664 177.584 -0.036 0.000 1.158 44 A CA 1.494 53.480 52.037 -0.086 0.000 0.661 44 A CB -0.487 18.426 19.000 -0.145 0.000 0.801 44 A HN 0.310 nan 8.150 nan 0.000 0.452 45 A N -1.708 121.106 122.820 -0.010 0.000 2.275 45 A HA 0.447 4.767 4.320 0.000 0.000 0.212 45 A C 1.591 179.177 177.584 0.004 0.000 1.201 45 A CA 0.955 52.999 52.037 0.012 0.000 0.843 45 A CB -0.826 18.198 19.000 0.039 0.000 0.873 45 A HN 1.787 nan 8.150 nan 0.000 0.492 46 G N -0.483 108.312 108.800 -0.009 0.000 2.176 46 G HA2 -0.220 3.740 3.960 0.000 0.000 0.252 46 G HA3 -0.220 3.740 3.960 0.000 0.000 0.252 46 G C -0.078 174.820 174.900 -0.003 0.000 1.024 46 G CA 0.524 45.620 45.100 -0.008 0.000 0.755 46 G HN 0.517 nan 8.290 nan 0.000 0.507 47 I N -0.151 120.416 120.570 -0.005 0.000 2.465 47 I HA 0.502 4.672 4.170 0.000 0.000 0.291 47 I C 0.009 176.117 176.117 -0.015 0.000 1.014 47 I CA -0.732 60.567 61.300 -0.002 0.000 1.093 47 I CB 1.995 39.999 38.000 0.007 0.000 1.267 47 I HN 0.046 nan 8.210 nan 0.000 0.431 48 E N 6.019 126.213 120.200 -0.009 0.000 2.238 48 E HA 0.624 4.974 4.350 0.000 0.000 0.267 48 E C -1.424 175.169 176.600 -0.011 0.000 0.887 48 E CA -0.828 55.562 56.400 -0.017 0.000 0.769 48 E CB 2.832 32.531 29.700 -0.001 0.000 1.187 48 E HN 0.414 nan 8.360 nan 0.000 0.416 49 L N 2.547 123.740 121.223 -0.049 0.000 2.322 49 L HA 0.421 4.761 4.340 0.000 0.000 0.281 49 L C -0.760 176.200 176.870 0.150 0.000 1.014 49 L CA -0.904 53.917 54.840 -0.032 0.000 0.815 49 L CB 1.416 43.200 42.059 -0.458 0.000 1.247 49 L HN 0.320 nan 8.230 nan 0.000 0.421 50 D N 2.588 123.154 120.400 0.277 0.000 2.392 50 D HA 0.205 4.845 4.640 0.000 0.000 0.228 50 D C -0.210 176.297 176.300 0.345 0.000 1.074 50 D CA -0.142 54.015 54.000 0.262 0.000 0.838 50 D CB 2.360 43.252 40.800 0.155 0.000 1.067 50 D HN 0.065 nan 8.370 nan 0.000 0.511 51 V N 3.618 123.702 119.914 0.284 0.000 2.843 51 V HA 0.067 4.187 4.120 0.000 0.000 0.305 51 V C 0.289 176.353 176.094 -0.050 0.000 1.065 51 V CA -0.299 61.952 62.300 -0.082 0.000 1.116 51 V CB 0.503 32.234 31.823 -0.154 0.000 0.968 51 V HN 0.425 nan 8.190 nan 0.000 0.487 52 L N 6.819 127.984 121.223 -0.097 0.000 2.499 52 L HA 0.189 4.529 4.340 0.000 0.000 0.273 52 L C 0.949 177.757 176.870 -0.102 0.000 1.195 52 L CA 0.315 55.110 54.840 -0.074 0.000 0.882 52 L CB 0.811 42.820 42.059 -0.083 0.000 1.133 52 L HN 0.934 nan 8.230 nan 0.000 0.483 53 S N 1.696 117.341 115.700 -0.092 0.000 2.645 53 S HA 0.240 4.710 4.470 0.000 0.000 0.266 53 S C 1.244 175.758 174.600 -0.143 0.000 1.258 53 S CA -0.299 57.840 58.200 -0.101 0.000 0.990 53 S CB 1.438 64.590 63.200 -0.081 0.000 0.967 53 S HN 0.750 nan 8.310 nan 0.000 0.556 54 G N 0.008 108.718 108.800 -0.150 0.000 2.432 54 G HA2 -0.148 3.812 3.960 0.000 0.000 0.219 54 G HA3 -0.148 3.812 3.960 0.000 0.000 0.219 54 G C 1.264 176.038 174.900 -0.210 0.000 1.135 54 G CA 0.534 45.518 45.100 -0.194 0.000 0.767 54 G HN 0.801 nan 8.290 nan 0.000 0.550 55 Q N -0.375 119.327 119.800 -0.163 0.000 2.291 55 Q HA -0.024 4.316 4.340 0.000 0.000 0.205 55 Q C 1.870 177.769 176.000 -0.168 0.000 0.970 55 Q CA 0.878 56.588 55.803 -0.156 0.000 0.876 55 Q CB 0.057 28.728 28.738 -0.112 0.000 0.935 55 Q HN 0.537 nan 8.270 nan 0.000 0.455 56 Q N -0.966 118.733 119.800 -0.167 0.000 2.155 56 Q HA 0.145 4.485 4.340 0.000 0.000 0.220 56 Q C 1.436 177.308 176.000 -0.212 0.000 0.819 56 Q CA 0.037 55.738 55.803 -0.170 0.000 1.032 56 Q CB 0.976 29.634 28.738 -0.133 0.000 1.151 56 Q HN 0.377 nan 8.270 nan 0.000 0.487 57 G N 1.393 110.037 108.800 -0.260 0.000 2.462 57 G HA2 -0.295 3.665 3.960 0.000 0.000 0.220 57 G HA3 -0.295 3.665 3.960 0.000 0.000 0.220 57 G C 1.600 176.315 174.900 -0.308 0.000 1.121 57 G CA 1.626 46.547 45.100 -0.298 0.000 0.758 57 G HN 0.458 nan 8.290 nan 0.000 0.559 58 T N -0.990 113.344 114.554 -0.367 0.000 2.977 58 T HA -0.050 4.300 4.350 0.000 0.000 0.271 58 T C 2.151 176.840 174.700 -0.017 0.000 1.105 58 T CA 1.034 63.016 62.100 -0.197 0.000 1.116 58 T CB -0.198 68.572 68.868 -0.164 0.000 0.878 58 T HN 0.032 nan 8.240 nan 0.000 0.509 59 V N 1.409 121.227 119.914 -0.159 0.000 2.720 59 V HA -0.156 3.964 4.120 0.000 0.000 0.256 59 V C 2.458 178.338 176.094 -0.357 0.000 1.082 59 V CA 1.870 63.983 62.300 -0.312 0.000 1.101 59 V CB -1.028 30.484 31.823 -0.520 0.000 0.693 59 V HN 0.664 nan 8.190 nan 0.000 0.479 60 H N -0.618 118.345 119.070 -0.177 0.000 2.456 60 H HA -0.109 4.447 4.556 0.000 0.000 0.296 60 H C 1.811 177.264 175.328 0.209 0.000 1.079 60 H CA 1.819 57.909 56.048 0.070 0.000 1.322 60 H CB -0.071 29.786 29.762 0.157 0.000 1.388 60 H HN 0.525 nan 8.280 nan 0.000 0.538 61 F N -2.008 117.939 119.950 -0.004 0.000 2.712 61 F HA 0.045 4.572 4.527 0.000 0.000 0.297 61 F C 2.098 177.891 175.800 -0.011 0.000 1.114 61 F CA 0.473 58.489 58.000 0.027 0.000 1.305 61 F CB 0.564 39.669 39.000 0.175 0.000 1.086 61 F HN 0.284 nan 8.300 nan 0.000 0.599 62 T N -4.202 110.376 114.554 0.039 0.000 3.015 62 T HA -0.009 4.341 4.350 0.000 0.000 0.250 62 T C 0.459 175.266 174.700 0.177 0.000 1.057 62 T CA 0.242 62.426 62.100 0.141 0.000 1.066 62 T CB -0.455 68.483 68.868 0.117 0.000 0.959 62 T HN 0.291 nan 8.240 nan 0.000 0.488 63 Y N 0.733 121.132 120.300 0.165 0.000 4.409 63 Y HA -0.169 4.381 4.550 0.000 0.000 0.228 63 Y C 0.337 176.309 175.900 0.119 0.000 1.108 63 Y CA 0.310 58.532 58.100 0.203 0.000 1.955 63 Y CB -2.650 35.976 38.460 0.277 0.000 1.615 63 Y HN 0.375 nan 8.280 nan 0.000 0.665 64 D N 1.846 122.285 120.400 0.065 0.000 2.713 64 D HA 0.256 4.896 4.640 0.000 0.000 0.229 64 D C 0.009 176.317 176.300 0.015 0.000 1.136 64 D CA 0.553 54.589 54.000 0.059 0.000 1.010 64 D CB -0.083 40.740 40.800 0.038 0.000 1.084 64 D HN 0.464 nan 8.370 nan 0.000 0.495 65 Q N 0.680 120.516 119.800 0.060 0.000 2.418 65 Q HA 0.263 4.603 4.340 0.000 0.000 0.282 65 Q C -1.927 174.150 176.000 0.129 0.000 1.044 65 Q CA -1.521 54.319 55.803 0.061 0.000 0.813 65 Q CB 2.595 31.341 28.738 0.014 0.000 1.428 65 Q HN 0.068 nan 8.270 nan 0.000 0.402 66 P HA 0.016 nan 4.420 nan 0.000 0.224 66 P C -0.020 177.347 177.300 0.113 0.000 1.157 66 P CA 0.701 63.861 63.100 0.100 0.000 0.799 66 P CB 0.495 32.236 31.700 0.069 0.000 0.809 67 A N -0.863 122.042 122.820 0.142 0.000 3.308 67 A HA 0.375 4.695 4.320 0.000 0.000 0.275 67 A C -1.178 176.536 177.584 0.217 0.000 0.950 67 A CA -0.456 51.662 52.037 0.135 0.000 0.987 67 A CB -0.429 18.629 19.000 0.096 0.000 1.146 67 A HN 0.100 nan 8.150 nan 0.000 0.488 68 Y N 0.358 120.722 120.300 0.107 0.000 2.377 68 Y HA 0.726 5.276 4.550 0.000 0.000 0.339 68 Y C -0.113 175.898 175.900 0.184 0.000 1.011 68 Y CA -0.486 57.706 58.100 0.153 0.000 1.093 68 Y CB 1.848 40.400 38.460 0.154 0.000 1.201 68 Y HN 0.230 nan 8.280 nan 0.000 0.455 69 T N 7.159 121.472 114.554 -0.402 0.000 2.916 69 T HA 0.552 4.902 4.350 0.000 0.000 0.298 69 T C -1.678 172.825 174.700 -0.327 0.000 1.031 69 T CA -0.765 61.176 62.100 -0.265 0.000 0.993 69 T CB 0.694 69.609 68.868 0.079 0.000 1.045 69 T HN 0.878 nan 8.240 nan 0.000 0.454 70 R N 3.663 124.108 120.500 -0.092 0.000 2.673 70 R HA 0.667 5.007 4.340 0.000 0.000 0.281 70 R C -2.066 174.452 176.300 0.363 0.000 0.991 70 R CA -0.682 55.502 56.100 0.139 0.000 0.896 70 R CB 1.345 31.753 30.300 0.179 0.000 1.201 70 R HN 0.509 nan 8.270 nan 0.000 0.457 71 F N 3.102 123.175 119.950 0.204 0.000 2.500 71 F HA 0.692 5.219 4.527 0.000 0.000 0.349 71 F C -0.309 175.566 175.800 0.124 0.000 1.127 71 F CA -0.363 57.703 58.000 0.110 0.000 0.998 71 F CB 1.642 40.548 39.000 -0.157 0.000 1.237 71 F HN 0.742 nan 8.300 nan 0.000 0.439 72 G N 2.158 111.252 108.800 0.491 0.000 2.570 72 G HA2 0.444 4.404 3.960 0.000 0.000 0.310 72 G HA3 0.444 4.404 3.960 0.000 0.000 0.310 72 G C -0.470 174.606 174.900 0.294 0.000 1.266 72 G CA -0.186 45.119 45.100 0.342 0.000 0.825 72 G HN 0.758 nan 8.290 nan 0.000 0.483 73 G N -0.102 108.859 108.800 0.269 0.000 2.391 73 G HA2 0.375 4.335 3.960 0.000 0.000 0.234 73 G HA3 0.375 4.335 3.960 0.000 0.000 0.234 73 G C 0.927 175.995 174.900 0.281 0.000 1.284 73 G CA 0.824 46.093 45.100 0.282 0.000 0.873 73 G HN 0.743 nan 8.290 nan 0.000 0.549 74 E N 2.281 122.648 120.200 0.279 0.000 2.371 74 E HA -0.079 4.271 4.350 0.000 0.000 0.194 74 E C 1.992 178.714 176.600 0.202 0.000 1.012 74 E CA 0.261 56.819 56.400 0.263 0.000 0.860 74 E CB -0.057 29.812 29.700 0.282 0.000 0.811 74 E HN 0.682 nan 8.360 nan 0.000 0.502 75 I N 1.563 122.229 120.570 0.160 0.000 2.179 75 I HA -0.158 4.012 4.170 0.000 0.000 0.242 75 I C -0.480 175.616 176.117 -0.035 0.000 1.088 75 I CA 1.074 62.398 61.300 0.040 0.000 1.357 75 I CB -1.378 36.583 38.000 -0.064 0.000 1.051 75 I HN 0.101 nan 8.210 nan 0.000 0.409 76 P HA -0.120 nan 4.420 nan 0.000 0.215 76 P C -1.298 176.064 177.300 0.103 0.000 1.157 76 P CA 1.867 64.894 63.100 -0.121 0.000 0.868 76 P CB -1.161 30.431 31.700 -0.180 0.000 0.788 77 P HA -0.086 nan 4.420 nan 0.000 0.219 77 P C 1.619 178.826 177.300 -0.156 0.000 1.150 77 P CA 1.252 64.320 63.100 -0.052 0.000 0.814 77 P CB -0.366 31.363 31.700 0.047 0.000 0.787 78 L N -0.948 120.229 121.223 -0.076 0.000 2.093 78 L HA -0.109 4.231 4.340 0.000 0.000 0.208 78 L C 2.796 179.571 176.870 -0.158 0.000 1.085 78 L CA 1.160 55.895 54.840 -0.176 0.000 0.755 78 L CB -0.777 41.262 42.059 -0.033 0.000 0.904 78 L HN -0.095 nan 8.230 nan 0.000 0.435 79 L N -1.532 119.642 121.223 -0.082 0.000 2.109 79 L HA -0.161 4.179 4.340 0.000 0.000 0.207 79 L C 2.778 179.614 176.870 -0.056 0.000 1.086 79 L CA 0.954 55.759 54.840 -0.057 0.000 0.760 79 L CB -0.474 41.560 42.059 -0.041 0.000 0.910 79 L HN 0.216 nan 8.230 nan 0.000 0.437 80 S N -0.421 115.263 115.700 -0.027 0.000 2.356 80 S HA -0.159 4.311 4.470 0.000 0.000 0.223 80 S C 1.908 176.456 174.600 -0.087 0.000 1.032 80 S CA 1.196 59.409 58.200 0.022 0.000 1.005 80 S CB -0.005 63.307 63.200 0.187 0.000 0.867 80 S HN 0.352 nan 8.310 nan 0.000 0.449 81 E N 0.111 120.167 120.200 -0.239 0.000 2.107 81 E HA 0.019 4.369 4.350 0.000 0.000 0.191 81 E C 2.067 178.507 176.600 -0.266 0.000 0.982 81 E CA 1.052 57.246 56.400 -0.343 0.000 0.809 81 E CB -0.683 28.570 29.700 -0.746 0.000 0.756 81 E HN 0.600 nan 8.360 nan 0.000 0.459 82 G N -0.111 108.549 108.800 -0.233 0.000 2.838 82 G HA2 0.035 3.995 3.960 0.000 0.000 0.210 82 G HA3 0.035 3.995 3.960 0.000 0.000 0.210 82 G C 1.366 176.211 174.900 -0.092 0.000 1.153 82 G CA 0.060 45.065 45.100 -0.159 0.000 0.778 82 G HN 0.158 nan 8.290 nan 0.000 0.539 83 L N -1.421 119.756 121.223 -0.076 0.000 2.694 83 L HA 0.495 4.835 4.340 0.000 0.000 0.228 83 L C 2.333 179.177 176.870 -0.042 0.000 1.048 83 L CA 0.630 55.441 54.840 -0.049 0.000 0.887 83 L CB 0.154 42.191 42.059 -0.036 0.000 1.265 83 L HN -0.025 nan 8.230 nan 0.000 0.492 84 R N -0.402 120.078 120.500 -0.034 0.000 2.140 84 R HA 0.545 4.885 4.340 0.000 0.000 0.200 84 R C 0.261 176.560 176.300 -0.001 0.000 1.069 84 R CA 0.661 56.753 56.100 -0.013 0.000 1.088 84 R CB 0.366 30.672 30.300 0.010 0.000 1.012 84 R HN 0.190 nan 8.270 nan 0.000 0.500 85 A N 2.212 125.033 122.820 0.001 0.000 3.266 85 A HA 0.404 4.724 4.320 0.000 0.000 0.310 85 A C -2.644 174.933 177.584 -0.012 0.000 1.066 85 A CA -1.335 50.709 52.037 0.013 0.000 0.839 85 A CB 0.498 19.530 19.000 0.055 0.000 1.192 85 A HN -0.092 nan 8.150 nan 0.000 0.496 86 P HA 0.358 nan 4.420 nan 0.000 0.265 86 P C 1.206 178.489 177.300 -0.029 0.000 1.193 86 P CA 2.017 65.077 63.100 -0.068 0.000 0.765 86 P CB 0.970 32.632 31.700 -0.065 0.000 0.823 87 G N 2.965 111.748 108.800 -0.029 0.000 2.213 87 G HA2 -0.274 3.686 3.960 0.000 0.000 0.226 87 G HA3 -0.274 3.686 3.960 0.000 0.000 0.226 87 G C 1.291 176.228 174.900 0.061 0.000 0.992 87 G CA -0.124 44.990 45.100 0.024 0.000 0.632 87 G HN 0.485 nan 8.290 nan 0.000 0.511 88 R N 0.750 121.292 120.500 0.069 0.000 2.115 88 R HA 0.112 4.452 4.340 0.000 0.000 0.230 88 R C 1.544 177.934 176.300 0.150 0.000 1.111 88 R CA 1.716 57.888 56.100 0.121 0.000 0.976 88 R CB -0.175 30.226 30.300 0.169 0.000 0.870 88 R HN 0.658 nan 8.270 nan 0.000 0.445 89 T N -1.800 112.850 114.554 0.160 0.000 2.887 89 T HA 0.567 4.917 4.350 0.000 0.000 0.292 89 T C -0.594 174.285 174.700 0.299 0.000 1.087 89 T CA -1.154 61.069 62.100 0.204 0.000 1.009 89 T CB 2.675 71.658 68.868 0.192 0.000 1.203 89 T HN -0.188 nan 8.240 nan 0.000 0.518 90 R N 0.519 121.077 120.500 0.096 0.000 2.750 90 R HA 0.582 4.922 4.340 0.000 0.000 0.281 90 R C -1.285 174.740 176.300 -0.458 0.000 0.972 90 R CA -1.086 54.971 56.100 -0.072 0.000 0.912 90 R CB 1.696 31.962 30.300 -0.057 0.000 1.187 90 R HN 0.717 nan 8.270 nan 0.000 0.464 91 L N 3.349 124.064 121.223 -0.847 0.000 2.260 91 L HA 0.301 4.641 4.340 0.000 0.000 0.289 91 L C 0.439 176.991 176.870 -0.531 0.000 1.057 91 L CA 0.319 54.592 54.840 -0.945 0.000 0.811 91 L CB 0.556 41.786 42.059 -1.382 0.000 1.184 91 L HN 0.692 nan 8.230 nan 0.000 0.429 92 L N 4.681 125.590 121.223 -0.525 0.000 2.354 92 L HA 0.487 4.827 4.340 0.000 0.000 0.212 92 L C 1.006 177.748 176.870 -0.213 0.000 1.091 92 L CA 0.479 55.053 54.840 -0.443 0.000 0.828 92 L CB -0.228 41.283 42.059 -0.914 0.000 0.973 92 L HN 0.820 nan 8.230 nan 0.000 0.461 93 G N -0.306 108.393 108.800 -0.169 0.000 2.451 93 G HA2 0.529 4.489 3.960 0.000 0.000 0.292 93 G HA3 0.529 4.489 3.960 0.000 0.000 0.292 93 G C -1.825 173.049 174.900 -0.043 0.000 1.427 93 G CA -0.547 44.546 45.100 -0.011 0.000 0.792 93 G HN -0.126 nan 8.290 nan 0.000 0.498 94 I N 0.006 120.622 120.570 0.077 0.000 2.647 94 I HA 0.602 4.772 4.170 0.000 0.000 0.295 94 I C -0.605 175.656 176.117 0.241 0.000 1.078 94 I CA -0.761 60.622 61.300 0.137 0.000 1.048 94 I CB 2.959 41.015 38.000 0.093 0.000 1.239 94 I HN 0.377 nan 8.210 nan 0.000 0.421 95 T N 5.290 120.025 114.554 0.302 0.000 2.965 95 T HA 0.364 4.714 4.350 0.000 0.000 0.306 95 T C -2.614 172.150 174.700 0.107 0.000 0.991 95 T CA -1.152 61.058 62.100 0.183 0.000 1.001 95 T CB 1.803 70.733 68.868 0.103 0.000 0.984 95 T HN 0.181 nan 8.240 nan 0.000 0.446 96 P HA 0.287 nan 4.420 nan 0.000 0.268 96 P C -1.046 176.263 177.300 0.014 0.000 1.208 96 P CA -0.636 62.504 63.100 0.066 0.000 0.777 96 P CB 0.520 32.255 31.700 0.059 0.000 0.875 97 L N 4.284 125.534 121.223 0.045 0.000 2.381 97 L HA 0.767 5.107 4.340 0.000 0.000 0.274 97 L C -1.743 175.177 176.870 0.083 0.000 0.988 97 L CA -0.572 54.266 54.840 -0.003 0.000 0.824 97 L CB 1.433 43.483 42.059 -0.016 0.000 1.263 97 L HN 0.163 nan 8.230 nan 0.000 0.410 98 L N 4.922 126.180 121.223 0.059 0.000 2.676 98 L HA 0.929 5.269 4.340 0.000 0.000 0.262 98 L C -0.612 176.313 176.870 0.092 0.000 0.932 98 L CA 0.698 55.599 54.840 0.102 0.000 0.932 98 L CB 1.683 43.789 42.059 0.079 0.000 1.355 98 L HN 0.810 nan 8.230 nan 0.000 0.421 99 G N 2.499 111.366 108.800 0.112 0.000 2.650 99 G HA2 0.401 4.361 3.960 0.000 0.000 0.310 99 G HA3 0.401 4.361 3.960 0.000 0.000 0.310 99 G C -1.547 173.408 174.900 0.091 0.000 1.270 99 G CA -1.116 44.033 45.100 0.082 0.000 0.810 99 G HN 0.600 nan 8.290 nan 0.000 0.493 100 R N 0.789 121.325 120.500 0.060 0.000 2.504 100 R HA 0.358 4.698 4.340 0.000 0.000 0.291 100 R C -0.052 176.339 176.300 0.152 0.000 0.974 100 R CA 0.700 56.858 56.100 0.097 0.000 1.077 100 R CB -0.236 30.120 30.300 0.092 0.000 0.926 100 R HN 0.654 nan 8.270 nan 0.000 0.407 101 Q N 2.337 122.241 119.800 0.173 0.000 2.386 101 Q HA 0.543 4.883 4.340 0.000 0.000 0.274 101 Q C -1.291 174.798 176.000 0.148 0.000 1.011 101 Q CA -0.180 55.735 55.803 0.186 0.000 0.867 101 Q CB 1.830 30.717 28.738 0.249 0.000 1.409 101 Q HN 0.872 nan 8.270 nan 0.000 0.395 102 G N 1.255 110.121 108.800 0.110 0.000 2.359 102 G HA2 0.202 4.162 3.960 0.000 0.000 0.293 102 G HA3 0.202 4.162 3.960 0.000 0.000 0.293 102 G C -2.065 172.894 174.900 0.098 0.000 1.300 102 G CA -0.961 44.221 45.100 0.137 0.000 0.888 102 G HN 0.334 nan 8.290 nan 0.000 0.541 103 F N 0.700 120.745 119.950 0.159 0.000 2.404 103 F HA 0.652 5.179 4.527 0.000 0.000 0.358 103 F C 0.171 176.024 175.800 0.089 0.000 1.120 103 F CA -0.225 57.898 58.000 0.204 0.000 1.144 103 F CB 0.889 39.981 39.000 0.153 0.000 1.133 103 F HN 0.231 nan 8.300 nan 0.000 0.495 104 F N 3.125 123.137 119.950 0.104 0.000 2.379 104 F HA 0.603 5.130 4.527 0.000 0.000 0.332 104 F C 0.260 176.117 175.800 0.095 0.000 1.096 104 F CA -0.860 57.183 58.000 0.072 0.000 1.105 104 F CB 1.215 40.223 39.000 0.014 0.000 1.189 104 F HN 0.208 nan 8.300 nan 0.000 0.515 105 V N 0.078 120.121 119.914 0.215 0.000 3.102 105 V HA 0.656 4.776 4.120 0.000 0.000 0.312 105 V C -0.277 175.898 176.094 0.134 0.000 1.135 105 V CA -1.587 60.803 62.300 0.150 0.000 1.022 105 V CB 1.782 33.660 31.823 0.091 0.000 1.056 105 V HN 0.690 nan 8.190 nan 0.000 0.436 106 R N 0.589 121.148 120.500 0.099 0.000 2.738 106 R HA 0.152 4.492 4.340 0.000 0.000 0.268 106 R C 0.764 177.103 176.300 0.064 0.000 1.062 106 R CA 0.289 56.437 56.100 0.079 0.000 1.158 106 R CB 0.358 30.694 30.300 0.059 0.000 1.046 106 R HN 1.003 nan 8.270 nan 0.000 0.493 107 D N 0.949 121.383 120.400 0.056 0.000 2.178 107 D HA -0.167 4.473 4.640 0.000 0.000 0.201 107 D C 0.936 177.255 176.300 0.031 0.000 0.980 107 D CA 1.470 55.495 54.000 0.042 0.000 0.842 107 D CB 0.137 40.959 40.800 0.038 0.000 0.948 107 D HN 0.598 nan 8.370 nan 0.000 0.472 108 D N -0.525 119.893 120.400 0.031 0.000 2.336 108 D HA -0.051 4.589 4.640 0.000 0.000 0.229 108 D C 0.329 176.644 176.300 0.025 0.000 1.061 108 D CA -0.020 53.995 54.000 0.025 0.000 0.875 108 D CB -0.272 40.541 40.800 0.023 0.000 0.904 108 D HN 0.027 nan 8.370 nan 0.000 0.525 109 S N 2.042 117.760 115.700 0.030 0.000 2.564 109 S HA 0.136 4.606 4.470 0.000 0.000 0.278 109 S C -1.182 173.432 174.600 0.022 0.000 1.333 109 S CA -1.058 57.160 58.200 0.030 0.000 1.048 109 S CB 1.352 64.576 63.200 0.040 0.000 0.900 109 S HN -0.018 nan 8.310 nan 0.000 0.505 110 P HA 0.093 nan 4.420 nan 0.000 0.237 110 P C -0.019 177.289 177.300 0.013 0.000 1.178 110 P CA 0.432 63.541 63.100 0.014 0.000 0.766 110 P CB -0.099 31.610 31.700 0.014 0.000 0.876 111 I N 1.456 122.035 120.570 0.016 0.000 2.379 111 I HA 0.045 4.215 4.170 0.000 0.000 0.290 111 I C 1.433 177.554 176.117 0.006 0.000 1.063 111 I CA 0.296 61.604 61.300 0.013 0.000 1.351 111 I CB 0.797 38.810 38.000 0.021 0.000 1.410 111 I HN -0.047 nan 8.210 nan 0.000 0.505 112 T N 1.424 115.978 114.554 0.000 0.000 2.986 112 T HA 0.516 4.866 4.350 0.000 0.000 0.264 112 T C 0.236 174.927 174.700 -0.015 0.000 0.964 112 T CA -0.133 61.962 62.100 -0.008 0.000 0.895 112 T CB 0.573 69.438 68.868 -0.005 0.000 1.163 112 T HN 0.542 nan 8.240 nan 0.000 0.517 113 A N 0.277 123.092 122.820 -0.009 0.000 2.515 113 A HA 0.933 5.253 4.320 0.000 0.000 0.296 113 A C 1.363 178.946 177.584 -0.003 0.000 1.094 113 A CA -0.319 51.713 52.037 -0.009 0.000 0.718 113 A CB 0.896 19.896 19.000 0.000 0.000 1.307 113 A HN 0.422 nan 8.150 nan 0.000 0.408 114 A N 0.670 123.491 122.820 0.002 0.000 1.948 114 A HA 0.120 4.440 4.320 0.000 0.000 0.220 114 A C 2.225 179.819 177.584 0.016 0.000 1.177 114 A CA 2.708 54.755 52.037 0.016 0.000 0.636 114 A CB -0.986 18.048 19.000 0.058 0.000 0.815 114 A HN 2.007 nan 8.150 nan 0.000 0.449 115 A N -0.167 122.665 122.820 0.019 0.000 2.070 115 A HA -0.158 4.162 4.320 0.000 0.000 0.220 115 A C 1.490 179.077 177.584 0.005 0.000 1.159 115 A CA 1.650 53.695 52.037 0.013 0.000 0.656 115 A CB -0.471 18.538 19.000 0.015 0.000 0.800 115 A HN 0.490 nan 8.150 nan 0.000 0.453 116 D N -0.169 120.233 120.400 0.005 0.000 2.378 116 D HA 0.001 4.641 4.640 0.000 0.000 0.227 116 D C 1.472 177.773 176.300 0.001 0.000 1.012 116 D CA 0.421 54.423 54.000 0.003 0.000 0.905 116 D CB -0.081 40.722 40.800 0.005 0.000 0.895 116 D HN 0.485 nan 8.370 nan 0.000 0.532 117 L N 0.581 121.801 121.223 -0.005 0.000 2.478 117 L HA 0.066 4.407 4.340 0.000 0.000 0.223 117 L C 1.160 178.020 176.870 -0.017 0.000 1.140 117 L CA -0.210 54.621 54.840 -0.016 0.000 0.842 117 L CB -0.257 41.779 42.059 -0.039 0.000 0.953 117 L HN -0.118 nan 8.230 nan 0.000 0.452 118 A N 0.393 123.206 122.820 -0.011 0.000 2.548 118 A HA 0.336 4.656 4.320 0.000 0.000 0.247 118 A C 1.489 179.069 177.584 -0.007 0.000 1.067 118 A CA 0.689 52.720 52.037 -0.010 0.000 0.757 118 A CB -0.364 18.633 19.000 -0.006 0.000 0.996 118 A HN 0.579 nan 8.150 nan 0.000 0.504 119 G N 1.993 110.788 108.800 -0.008 0.000 2.168 119 G HA2 -0.234 3.726 3.960 0.000 0.000 0.263 119 G HA3 -0.234 3.726 3.960 0.000 0.000 0.263 119 G C 0.462 175.362 174.900 -0.000 0.000 0.977 119 G CA 0.576 45.674 45.100 -0.003 0.000 0.659 119 G HN 0.822 nan 8.290 nan 0.000 0.533 120 R N -0.270 120.228 120.500 -0.003 0.000 2.549 120 R HA 0.579 4.919 4.340 0.000 0.000 0.267 120 R C 0.496 176.799 176.300 0.005 0.000 1.045 120 R CA -0.789 55.314 56.100 0.005 0.000 1.115 120 R CB 0.489 30.793 30.300 0.007 0.000 1.121 120 R HN 0.286 nan 8.270 nan 0.000 0.543 121 R N 1.227 121.738 120.500 0.019 0.000 2.207 121 R HA 0.358 4.699 4.340 0.000 0.000 0.334 121 R C -0.242 176.084 176.300 0.043 0.000 1.013 121 R CA -0.383 55.733 56.100 0.027 0.000 0.858 121 R CB 0.693 31.014 30.300 0.034 0.000 1.094 121 R HN 0.298 nan 8.270 nan 0.000 0.457 122 I N 2.777 123.368 120.570 0.034 0.000 2.312 122 I HA 0.236 4.406 4.170 0.000 0.000 0.290 122 I C 0.942 177.130 176.117 0.119 0.000 1.008 122 I CA -0.567 60.772 61.300 0.064 0.000 1.226 122 I CB 1.182 39.155 38.000 -0.045 0.000 1.371 122 I HN 0.645 nan 8.210 nan 0.000 0.468 123 G N 6.383 115.292 108.800 0.181 0.000 2.355 123 G HA2 0.535 4.495 3.960 0.000 0.000 0.276 123 G HA3 0.535 4.495 3.960 0.000 0.000 0.276 123 G C -0.247 174.788 174.900 0.226 0.000 1.198 123 G CA -0.173 45.027 45.100 0.167 0.000 0.876 123 G HN 0.549 nan 8.290 nan 0.000 0.478 124 V N -0.059 119.955 119.914 0.166 0.000 3.147 124 V HA 0.800 4.920 4.120 0.000 0.000 0.306 124 V C 0.275 176.432 176.094 0.106 0.000 1.209 124 V CA -0.842 61.558 62.300 0.167 0.000 1.023 124 V CB 1.212 33.134 31.823 0.165 0.000 1.059 124 V HN 1.056 nan 8.190 nan 0.000 0.435 125 S N 1.730 117.486 115.700 0.093 0.000 2.576 125 S HA 0.502 4.972 4.470 0.000 0.000 0.272 125 S C 1.421 176.049 174.600 0.047 0.000 1.352 125 S CA 0.174 58.416 58.200 0.070 0.000 1.021 125 S CB 1.212 64.451 63.200 0.065 0.000 0.887 125 S HN 2.069 nan 8.310 nan 0.000 0.542 126 A N 2.304 125.150 122.820 0.043 0.000 1.972 126 A HA -0.021 4.299 4.320 0.000 0.000 0.219 126 A C 2.363 179.956 177.584 0.015 0.000 1.169 126 A CA 1.763 53.819 52.037 0.031 0.000 0.635 126 A CB -1.421 17.601 19.000 0.036 0.000 0.810 126 A HN 0.838 nan 8.150 nan 0.000 0.446 127 S N -0.091 115.614 115.700 0.009 0.000 2.356 127 S HA -0.066 4.404 4.470 0.000 0.000 0.223 127 S C 2.344 176.919 174.600 -0.041 0.000 1.032 127 S CA 1.246 59.433 58.200 -0.022 0.000 1.005 127 S CB -0.502 62.672 63.200 -0.042 0.000 0.867 127 S HN 0.818 nan 8.310 nan 0.000 0.449 128 A N 1.321 124.123 122.820 -0.029 0.000 1.933 128 A HA -0.042 4.278 4.320 0.000 0.000 0.218 128 A C 2.053 179.630 177.584 -0.012 0.000 1.175 128 A CA 1.155 53.176 52.037 -0.026 0.000 0.628 128 A CB -0.731 18.268 19.000 -0.002 0.000 0.814 128 A HN 0.500 nan 8.150 nan 0.000 0.444 129 I N -0.897 119.673 120.570 0.000 0.000 2.286 129 I HA -0.270 3.900 4.170 0.000 0.000 0.248 129 I C 2.741 178.847 176.117 -0.018 0.000 1.115 129 I CA 1.205 62.505 61.300 -0.001 0.000 1.392 129 I CB -0.373 37.633 38.000 0.010 0.000 1.065 129 I HN 0.318 nan 8.210 nan 0.000 0.418 130 R N 0.743 121.227 120.500 -0.027 0.000 2.091 130 R HA -0.146 4.194 4.340 0.000 0.000 0.238 130 R C 2.311 178.569 176.300 -0.070 0.000 1.136 130 R CA 1.485 57.558 56.100 -0.045 0.000 0.959 130 R CB -0.416 29.852 30.300 -0.053 0.000 0.856 130 R HN 0.367 nan 8.270 nan 0.000 0.437 131 I N 0.839 121.362 120.570 -0.078 0.000 2.202 131 I HA -0.272 3.898 4.170 0.000 0.000 0.242 131 I C 2.299 178.379 176.117 -0.062 0.000 1.091 131 I CA 1.231 62.477 61.300 -0.089 0.000 1.368 131 I CB -0.276 37.688 38.000 -0.060 0.000 1.058 131 I HN 0.111 nan 8.210 nan 0.000 0.410 132 L N 0.247 121.450 121.223 -0.032 0.000 2.083 132 L HA -0.172 4.168 4.340 0.000 0.000 0.209 132 L C 2.544 179.394 176.870 -0.034 0.000 1.083 132 L CA 1.403 56.229 54.840 -0.024 0.000 0.752 132 L CB -0.461 41.590 42.059 -0.012 0.000 0.899 132 L HN 0.174 nan 8.230 nan 0.000 0.433 133 R N -0.201 120.279 120.500 -0.035 0.000 2.276 133 R HA 0.094 4.434 4.340 0.000 0.000 0.196 133 R C 1.169 177.443 176.300 -0.043 0.000 0.961 133 R CA 0.623 56.703 56.100 -0.033 0.000 1.024 133 R CB 0.073 30.358 30.300 -0.024 0.000 0.940 133 R HN 0.443 nan 8.270 nan 0.000 0.480 134 G N 1.880 110.643 108.800 -0.061 0.000 2.221 134 G HA2 -0.299 3.661 3.960 0.000 0.000 0.265 134 G HA3 -0.299 3.661 3.960 0.000 0.000 0.265 134 G C -0.217 174.646 174.900 -0.063 0.000 1.041 134 G CA 0.088 45.144 45.100 -0.074 0.000 0.807 134 G HN 0.388 nan 8.290 nan 0.000 0.502 135 Q N -0.739 119.027 119.800 -0.056 0.000 2.616 135 Q HA 0.492 4.832 4.340 0.000 0.000 0.250 135 Q C 1.364 177.340 176.000 -0.042 0.000 0.991 135 Q CA -0.656 55.123 55.803 -0.039 0.000 0.707 135 Q CB 0.914 29.638 28.738 -0.024 0.000 1.247 135 Q HN 0.356 nan 8.270 nan 0.000 0.491 136 L N 0.821 122.013 121.223 -0.051 0.000 2.552 136 L HA 0.053 4.393 4.340 0.000 0.000 0.227 136 L C 1.320 178.210 176.870 0.033 0.000 1.146 136 L CA 0.664 55.475 54.840 -0.049 0.000 0.858 136 L CB -0.686 41.306 42.059 -0.112 0.000 0.969 136 L HN 0.911 nan 8.230 nan 0.000 0.451 137 G N 2.212 111.029 108.800 0.029 0.000 2.651 137 G HA2 -0.453 3.507 3.960 0.000 0.000 0.315 137 G HA3 -0.453 3.507 3.960 0.000 0.000 0.315 137 G C 0.435 175.377 174.900 0.070 0.000 1.258 137 G CA 0.637 45.763 45.100 0.043 0.000 1.002 137 G HN 0.573 nan 8.290 nan 0.000 0.551 138 D N 0.071 120.513 120.400 0.071 0.000 2.323 138 D HA 0.116 4.756 4.640 0.000 0.000 0.239 138 D C 1.455 177.807 176.300 0.086 0.000 1.129 138 D CA 0.860 54.899 54.000 0.065 0.000 0.865 138 D CB -0.349 40.476 40.800 0.042 0.000 0.913 138 D HN 0.588 nan 8.370 nan 0.000 0.517 139 Y N 1.546 121.841 120.300 -0.008 0.000 2.062 139 Y HA -0.304 4.246 4.550 0.000 0.000 0.273 139 Y C 1.720 177.614 175.900 -0.010 0.000 1.206 139 Y CA 1.910 60.002 58.100 -0.013 0.000 1.125 139 Y CB -0.417 38.028 38.460 -0.026 0.000 0.951 139 Y HN 0.081 nan 8.280 nan 0.000 0.501 140 L N -0.125 121.042 121.223 -0.094 0.000 2.362 140 L HA -0.155 4.185 4.340 0.000 0.000 0.219 140 L C 1.887 178.673 176.870 -0.140 0.000 1.134 140 L CA 1.398 56.127 54.840 -0.185 0.000 0.807 140 L CB -0.435 41.604 42.059 -0.033 0.000 0.927 140 L HN 0.349 nan 8.230 nan 0.000 0.447 141 E N -0.329 119.822 120.200 -0.082 0.000 2.447 141 E HA 0.117 4.467 4.350 0.000 0.000 0.195 141 E C 0.481 177.051 176.600 -0.050 0.000 1.028 141 E CA -0.213 56.157 56.400 -0.050 0.000 0.876 141 E CB 0.338 30.029 29.700 -0.015 0.000 0.885 141 E HN 0.392 nan 8.360 nan 0.000 0.500 142 L N 2.928 124.105 121.223 -0.076 0.000 2.464 142 L HA 0.037 4.377 4.340 0.000 0.000 0.264 142 L C 0.815 177.664 176.870 -0.035 0.000 1.199 142 L CA -0.459 54.356 54.840 -0.041 0.000 0.818 142 L CB 0.228 42.264 42.059 -0.038 0.000 1.102 142 L HN 0.155 nan 8.230 nan 0.000 0.473 143 D N 1.151 121.566 120.400 0.024 0.000 2.360 143 D HA 0.065 4.705 4.640 0.000 0.000 0.242 143 D C -2.112 174.236 176.300 0.081 0.000 1.184 143 D CA -1.491 52.541 54.000 0.054 0.000 0.930 143 D CB 0.557 41.411 40.800 0.090 0.000 1.161 143 D HN 0.202 nan 8.370 nan 0.000 0.447 144 P HA -0.186 nan 4.420 nan 0.000 0.215 144 P C 1.389 178.847 177.300 0.262 0.000 1.163 144 P CA 1.322 64.513 63.100 0.152 0.000 0.894 144 P CB -0.067 31.743 31.700 0.183 0.000 0.791 145 W N 0.697 122.102 121.300 0.175 0.000 2.353 145 W HA -0.165 4.495 4.660 0.000 0.000 0.319 145 W C 2.131 178.806 176.519 0.260 0.000 1.207 145 W CA 1.555 59.067 57.345 0.277 0.000 1.291 145 W CB -0.655 28.874 29.460 0.116 0.000 1.159 145 W HN -0.131 nan 8.180 nan 0.000 0.478 146 R N 0.043 120.701 120.500 0.263 0.000 2.120 146 R HA -0.209 4.132 4.340 0.000 0.000 0.234 146 R C 2.386 178.718 176.300 0.053 0.000 1.123 146 R CA 1.741 57.923 56.100 0.137 0.000 0.975 146 R CB -0.651 29.746 30.300 0.163 0.000 0.866 146 R HN 0.366 nan 8.270 nan 0.000 0.446 147 Q N -0.005 119.810 119.800 0.025 0.000 2.050 147 Q HA -0.140 4.200 4.340 0.000 0.000 0.202 147 Q C 1.525 177.529 176.000 0.006 0.000 0.980 147 Q CA 1.965 57.738 55.803 -0.050 0.000 0.840 147 Q CB 0.091 28.709 28.738 -0.201 0.000 0.898 147 Q HN 0.204 nan 8.270 nan 0.000 0.424 148 T N 1.543 116.047 114.554 -0.083 0.000 2.833 148 T HA -0.095 4.255 4.350 0.000 0.000 0.269 148 T C 1.744 176.286 174.700 -0.264 0.000 1.054 148 T CA 0.972 62.923 62.100 -0.250 0.000 1.135 148 T CB -0.136 68.365 68.868 -0.611 0.000 0.869 148 T HN 0.258 nan 8.240 nan 0.000 0.466 149 L N 0.688 121.807 121.223 -0.174 0.000 2.131 149 L HA -0.085 4.255 4.340 0.000 0.000 0.210 149 L C 2.555 179.369 176.870 -0.093 0.000 1.092 149 L CA 0.774 55.540 54.840 -0.124 0.000 0.759 149 L CB -0.653 41.368 42.059 -0.063 0.000 0.903 149 L HN 0.182 nan 8.230 nan 0.000 0.435 150 V N 0.069 119.972 119.914 -0.018 0.000 2.307 150 V HA -0.247 3.873 4.120 0.000 0.000 0.245 150 V C 2.734 178.763 176.094 -0.108 0.000 1.045 150 V CA 1.756 64.053 62.300 -0.004 0.000 1.024 150 V CB -0.770 31.140 31.823 0.147 0.000 0.651 150 V HN 0.478 nan 8.190 nan 0.000 0.449 151 A N -0.332 122.431 122.820 -0.095 0.000 2.019 151 A HA -0.106 4.215 4.320 0.000 0.000 0.219 151 A C 2.097 179.472 177.584 -0.347 0.000 1.164 151 A CA 1.359 53.286 52.037 -0.183 0.000 0.644 151 A CB -0.542 18.396 19.000 -0.102 0.000 0.805 151 A HN 0.532 nan 8.150 nan 0.000 0.449 152 L N -0.595 120.352 121.223 -0.461 0.000 2.549 152 L HA -0.064 4.276 4.340 0.000 0.000 0.229 152 L C 2.392 178.773 176.870 -0.815 0.000 1.158 152 L CA 0.535 54.841 54.840 -0.890 0.000 0.842 152 L CB -0.552 41.021 42.059 -0.810 0.000 0.952 152 L HN 0.501 nan 8.230 nan 0.000 0.452 153 G N -1.043 107.510 108.800 -0.412 0.000 2.679 153 G HA2 -0.151 3.809 3.960 0.000 0.000 0.212 153 G HA3 -0.151 3.809 3.960 0.000 0.000 0.212 153 G C 1.619 176.362 174.900 -0.262 0.000 1.137 153 G CA 0.454 45.401 45.100 -0.256 0.000 0.787 153 G HN 0.312 nan 8.290 nan 0.000 0.534 154 S N 0.154 115.645 115.700 -0.349 0.000 2.383 154 S HA -0.115 4.355 4.470 0.000 0.000 0.229 154 S C 1.980 176.367 174.600 -0.355 0.000 1.030 154 S CA 0.957 59.010 58.200 -0.245 0.000 1.002 154 S CB -0.238 62.835 63.200 -0.212 0.000 0.829 154 S HN 0.631 nan 8.310 nan 0.000 0.467 155 W N 1.838 122.888 121.300 -0.417 0.000 2.333 155 W HA -0.066 4.594 4.660 0.000 0.000 0.316 155 W C 2.248 178.239 176.519 -0.880 0.000 1.215 155 W CA 0.655 57.598 57.345 -0.670 0.000 1.278 155 W CB -1.363 27.565 29.460 -0.887 0.000 1.154 155 W HN 0.463 nan 8.180 nan 0.000 0.486 156 E N 0.166 120.037 120.200 -0.549 0.000 2.072 156 E HA -0.110 4.240 4.350 0.000 0.000 0.191 156 E C 2.420 178.920 176.600 -0.167 0.000 0.985 156 E CA 1.421 57.506 56.400 -0.525 0.000 0.801 156 E CB -0.443 29.148 29.700 -0.182 0.000 0.750 156 E HN 0.108 nan 8.360 nan 0.000 0.452 157 A N 1.464 124.211 122.820 -0.122 0.000 1.858 157 A HA -0.225 4.095 4.320 0.000 0.000 0.216 157 A C 2.121 179.676 177.584 -0.050 0.000 1.190 157 A CA 1.688 53.715 52.037 -0.018 0.000 0.617 157 A CB -0.477 18.574 19.000 0.084 0.000 0.827 157 A HN 0.076 nan 8.150 nan 0.000 0.443 158 R N -0.610 119.765 120.500 -0.209 0.000 2.092 158 R HA -0.065 4.275 4.340 0.000 0.000 0.231 158 R C 2.315 178.390 176.300 -0.375 0.000 1.119 158 R CA 1.291 57.168 56.100 -0.373 0.000 0.970 158 R CB -0.369 29.519 30.300 -0.687 0.000 0.864 158 R HN 0.464 nan 8.270 nan 0.000 0.440 159 A N 0.912 123.605 122.820 -0.211 0.000 1.902 159 A HA -0.167 4.153 4.320 0.000 0.000 0.217 159 A C 1.986 179.706 177.584 0.226 0.000 1.181 159 A CA 1.145 53.200 52.037 0.030 0.000 0.623 159 A CB -0.509 18.483 19.000 -0.013 0.000 0.818 159 A HN 0.366 nan 8.150 nan 0.000 0.443 160 L N -0.286 121.054 121.223 0.196 0.000 2.056 160 L HA -0.038 4.302 4.340 0.000 0.000 0.207 160 L C 2.274 179.129 176.870 -0.025 0.000 1.078 160 L CA 1.503 56.320 54.840 -0.038 0.000 0.749 160 L CB -0.483 41.465 42.059 -0.184 0.000 0.901 160 L HN 0.398 nan 8.230 nan 0.000 0.433 161 L N -1.214 120.006 121.223 -0.004 0.000 2.042 161 L HA -0.277 4.063 4.340 0.000 0.000 0.210 161 L C 2.512 179.474 176.870 0.154 0.000 1.076 161 L CA 1.710 56.575 54.840 0.041 0.000 0.749 161 L CB -0.839 41.243 42.059 0.039 0.000 0.893 161 L HN 0.431 nan 8.230 nan 0.000 0.432 162 H N -1.349 117.765 119.070 0.072 0.000 2.389 162 H HA -0.120 4.436 4.556 0.000 0.000 0.299 162 H C 2.291 177.710 175.328 0.153 0.000 1.081 162 H CA 1.272 57.377 56.048 0.095 0.000 1.345 162 H CB 0.148 29.974 29.762 0.107 0.000 1.393 162 H HN 0.291 nan 8.280 nan 0.000 0.520 163 T N 1.021 115.734 114.554 0.266 0.000 2.777 163 T HA -0.091 4.259 4.350 0.000 0.000 0.266 163 T C 2.167 176.949 174.700 0.137 0.000 1.040 163 T CA 0.732 62.954 62.100 0.203 0.000 1.141 163 T CB -0.179 68.772 68.868 0.137 0.000 0.868 163 T HN 0.205 nan 8.240 nan 0.000 0.444 164 L N 0.799 122.059 121.223 0.063 0.000 2.131 164 L HA -0.077 4.264 4.340 0.000 0.000 0.210 164 L C 2.701 179.602 176.870 0.051 0.000 1.092 164 L CA 1.268 56.126 54.840 0.028 0.000 0.759 164 L CB -0.607 41.445 42.059 -0.012 0.000 0.903 164 L HN 0.341 nan 8.230 nan 0.000 0.435 165 E N -0.781 119.458 120.200 0.064 0.000 2.118 165 E HA -0.237 4.113 4.350 0.000 0.000 0.195 165 E C 2.086 178.673 176.600 -0.022 0.000 0.992 165 E CA 0.934 57.339 56.400 0.008 0.000 0.804 165 E CB -0.171 29.517 29.700 -0.020 0.000 0.741 165 E HN 0.559 nan 8.360 nan 0.000 0.458 166 H N -0.431 118.648 119.070 0.015 0.000 2.421 166 H HA -0.054 4.502 4.556 0.000 0.000 0.298 166 H C 1.921 177.250 175.328 0.002 0.000 1.087 166 H CA 1.526 57.578 56.048 0.007 0.000 1.330 166 H CB 0.038 29.808 29.762 0.015 0.000 1.388 166 H HN 0.208 nan 8.280 nan 0.000 0.526 167 G N -0.066 108.804 108.800 0.116 0.000 3.284 167 G HA2 -0.006 3.954 3.960 0.000 0.000 0.236 167 G HA3 -0.006 3.954 3.960 0.000 0.000 0.236 167 G C -0.050 174.867 174.900 0.029 0.000 1.158 167 G CA -0.197 44.939 45.100 0.061 0.000 0.774 167 G HN 0.206 nan 8.290 nan 0.000 0.545 168 E N -0.706 119.505 120.200 0.018 0.000 2.389 168 E HA -0.166 4.184 4.350 0.000 0.000 0.243 168 E C 0.015 176.616 176.600 0.002 0.000 1.154 168 E CA 0.622 57.023 56.400 0.002 0.000 0.723 168 E CB -1.828 27.872 29.700 0.001 0.000 1.261 168 E HN 0.457 nan 8.360 nan 0.000 0.390 169 L N -0.992 120.233 121.223 0.003 0.000 2.303 169 L HA 0.805 5.145 4.340 0.000 0.000 0.266 169 L C 1.077 177.943 176.870 -0.007 0.000 1.011 169 L CA -0.600 54.237 54.840 -0.004 0.000 0.818 169 L CB 1.929 43.983 42.059 -0.008 0.000 1.326 169 L HN 0.096 nan 8.230 nan 0.000 0.435 170 G N -0.521 108.272 108.800 -0.012 0.000 2.644 170 G HA2 0.474 4.434 3.960 0.000 0.000 0.307 170 G HA3 0.474 4.434 3.960 0.000 0.000 0.307 170 G C 0.530 175.416 174.900 -0.022 0.000 1.250 170 G CA -0.486 44.606 45.100 -0.013 0.000 0.996 170 G HN 0.314 nan 8.290 nan 0.000 0.489 171 V N 0.936 120.836 119.914 -0.023 0.000 2.594 171 V HA -0.121 3.999 4.120 0.000 0.000 0.253 171 V C 2.451 178.529 176.094 -0.027 0.000 1.069 171 V CA 2.219 64.500 62.300 -0.031 0.000 1.082 171 V CB -0.449 31.357 31.823 -0.027 0.000 0.680 171 V HN 0.866 nan 8.190 nan 0.000 0.469 172 D N -0.733 119.655 120.400 -0.020 0.000 2.371 172 D HA -0.160 4.480 4.640 0.000 0.000 0.221 172 D C 1.137 177.428 176.300 -0.016 0.000 0.986 172 D CA 0.721 54.712 54.000 -0.016 0.000 0.899 172 D CB -0.251 40.541 40.800 -0.013 0.000 0.902 172 D HN 0.387 nan 8.370 nan 0.000 0.530 173 D N 0.492 120.880 120.400 -0.019 0.000 2.339 173 D HA 0.043 4.683 4.640 0.000 0.000 0.217 173 D C 0.929 177.216 176.300 -0.022 0.000 1.050 173 D CA 0.180 54.169 54.000 -0.018 0.000 0.856 173 D CB 1.327 42.117 40.800 -0.017 0.000 0.922 173 D HN 0.281 nan 8.370 nan 0.000 0.518 174 V N -2.343 117.554 119.914 -0.028 0.000 3.141 174 V HA 0.569 4.689 4.120 0.000 0.000 0.312 174 V C -0.853 175.228 176.094 -0.022 0.000 1.157 174 V CA -1.033 61.248 62.300 -0.031 0.000 1.041 174 V CB 2.648 34.437 31.823 -0.057 0.000 1.071 174 V HN -0.225 nan 8.190 nan 0.000 0.441 175 E N 1.947 122.138 120.200 -0.015 0.000 2.155 175 E HA 0.553 4.903 4.350 0.000 0.000 0.264 175 E C -1.284 175.317 176.600 0.001 0.000 0.886 175 E CA -0.571 55.826 56.400 -0.004 0.000 0.752 175 E CB 2.158 31.860 29.700 0.003 0.000 1.133 175 E HN 0.588 nan 8.360 nan 0.000 0.414 176 L N 3.126 124.351 121.223 0.003 0.000 2.290 176 L HA 0.359 4.699 4.340 0.000 0.000 0.284 176 L C -0.410 176.476 176.870 0.027 0.000 1.078 176 L CA -0.789 54.060 54.840 0.015 0.000 0.815 176 L CB 0.720 42.785 42.059 0.010 0.000 1.162 176 L HN 0.251 nan 8.230 nan 0.000 0.435 177 V N 4.524 124.464 119.914 0.044 0.000 2.444 177 V HA 0.332 4.452 4.120 0.000 0.000 0.294 177 V C -2.236 173.892 176.094 0.057 0.000 1.022 177 V CA -1.933 60.395 62.300 0.046 0.000 0.850 177 V CB 1.830 33.682 31.823 0.048 0.000 0.992 177 V HN 0.594 nan 8.190 nan 0.000 0.426 178 P HA 0.351 nan 4.420 nan 0.000 0.267 178 P C -0.508 176.826 177.300 0.056 0.000 1.209 178 P CA 0.309 63.440 63.100 0.052 0.000 0.763 178 P CB 0.383 32.108 31.700 0.042 0.000 0.816 179 I N -1.263 119.347 120.570 0.066 0.000 3.279 179 I HA 0.634 4.804 4.170 0.000 0.000 0.315 179 I C -0.672 175.485 176.117 0.067 0.000 1.187 179 I CA -1.268 60.070 61.300 0.064 0.000 0.953 179 I CB 2.229 40.273 38.000 0.073 0.000 1.279 179 I HN 0.063 nan 8.210 nan 0.000 0.465 180 S N 1.525 117.260 115.700 0.058 0.000 2.489 180 S HA 0.482 4.952 4.470 0.000 0.000 0.277 180 S C -0.438 174.201 174.600 0.064 0.000 1.230 180 S CA -0.226 58.011 58.200 0.062 0.000 1.053 180 S CB 0.509 63.738 63.200 0.048 0.000 0.955 180 S HN 0.680 nan 8.310 nan 0.000 0.488 181 S N 5.348 121.103 115.700 0.090 0.000 2.473 181 S HA 0.625 5.095 4.470 0.000 0.000 0.307 181 S C -2.751 171.916 174.600 0.112 0.000 1.094 181 S CA -1.817 56.450 58.200 0.111 0.000 1.070 181 S CB 1.169 64.471 63.200 0.171 0.000 1.019 181 S HN 0.697 nan 8.310 nan 0.000 0.480 182 P HA 0.209 nan 4.420 nan 0.000 0.264 182 P C 0.896 178.243 177.300 0.078 0.000 1.193 182 P CA 0.959 63.973 63.100 -0.144 0.000 0.763 182 P CB 0.505 31.749 31.700 -0.760 0.000 0.810 183 G N 2.048 110.942 108.800 0.157 0.000 2.284 183 G HA2 -0.303 3.657 3.960 0.000 0.000 0.247 183 G HA3 -0.303 3.657 3.960 0.000 0.000 0.247 183 G C 0.742 175.912 174.900 0.451 0.000 1.012 183 G CA 0.287 45.621 45.100 0.390 0.000 0.618 183 G HN 0.406 nan 8.290 nan 0.000 0.521 184 V N 0.627 120.742 119.914 0.335 0.000 2.672 184 V HA 0.191 4.311 4.120 0.000 0.000 0.242 184 V C 0.784 176.980 176.094 0.170 0.000 1.059 184 V CA 1.489 63.902 62.300 0.188 0.000 1.081 184 V CB 0.064 31.967 31.823 0.133 0.000 0.752 184 V HN 0.370 nan 8.190 nan 0.000 0.472 185 D N 1.620 122.133 120.400 0.189 0.000 2.479 185 D HA 0.340 4.980 4.640 0.000 0.000 0.218 185 D C -0.831 175.605 176.300 0.226 0.000 1.131 185 D CA 0.353 54.456 54.000 0.172 0.000 0.916 185 D CB 1.648 42.524 40.800 0.128 0.000 1.022 185 D HN 0.128 nan 8.370 nan 0.000 0.515 186 V N 3.889 123.971 119.914 0.279 0.000 2.380 186 V HA 0.203 4.323 4.120 0.000 0.000 0.268 186 V C -2.256 174.062 176.094 0.373 0.000 1.008 186 V CA -1.598 60.908 62.300 0.343 0.000 0.823 186 V CB 1.356 33.472 31.823 0.489 0.000 1.053 186 V HN 0.197 nan 8.190 nan 0.000 0.446 187 P HA 0.111 nan 4.420 nan 0.000 0.267 187 P C 1.075 178.428 177.300 0.089 0.000 1.200 187 P CA 0.265 63.463 63.100 0.164 0.000 0.772 187 P CB 0.995 32.748 31.700 0.088 0.000 0.855 188 A N 3.387 126.221 122.820 0.024 0.000 1.986 188 A HA -0.237 4.083 4.320 0.000 0.000 0.220 188 A C 1.871 179.357 177.584 -0.163 0.000 1.171 188 A CA 1.524 53.452 52.037 -0.182 0.000 0.640 188 A CB -0.810 18.097 19.000 -0.154 0.000 0.811 188 A HN 0.543 nan 8.150 nan 0.000 0.451 189 E N -0.413 119.739 120.200 -0.079 0.000 2.051 189 E HA -0.257 4.093 4.350 0.000 0.000 0.192 189 E C 2.131 178.681 176.600 -0.083 0.000 0.991 189 E CA 1.514 57.870 56.400 -0.074 0.000 0.799 189 E CB -0.573 29.105 29.700 -0.038 0.000 0.748 189 E HN 0.890 nan 8.360 nan 0.000 0.449 190 Q N 0.432 120.197 119.800 -0.058 0.000 2.084 190 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 190 Q C 2.318 178.247 176.000 -0.118 0.000 0.978 190 Q CA 1.056 56.822 55.803 -0.063 0.000 0.844 190 Q CB -0.098 28.631 28.738 -0.016 0.000 0.898 190 Q HN 0.175 nan 8.270 nan 0.000 0.426 191 L N 1.107 122.234 121.223 -0.160 0.000 2.017 191 L HA -0.174 4.166 4.340 0.000 0.000 0.208 191 L C 2.113 178.832 176.870 -0.252 0.000 1.073 191 L CA 1.881 56.565 54.840 -0.259 0.000 0.745 191 L CB -0.438 41.339 42.059 -0.471 0.000 0.894 191 L HN 0.191 nan 8.230 nan 0.000 0.432 192 E N 0.009 120.068 120.200 -0.235 0.000 2.153 192 E HA -0.231 4.119 4.350 0.000 0.000 0.194 192 E C 2.042 178.556 176.600 -0.142 0.000 0.988 192 E CA 1.423 57.708 56.400 -0.191 0.000 0.811 192 E CB -0.081 29.519 29.700 -0.167 0.000 0.746 192 E HN 0.692 nan 8.360 nan 0.000 0.466 193 E N 0.500 120.625 120.200 -0.124 0.000 2.371 193 E HA 0.008 4.358 4.350 0.000 0.000 0.194 193 E C 0.722 177.262 176.600 -0.101 0.000 1.012 193 E CA -0.129 56.213 56.400 -0.097 0.000 0.860 193 E CB 0.270 29.923 29.700 -0.078 0.000 0.811 193 E HN -0.112 nan 8.360 nan 0.000 0.502 194 S N -0.126 115.498 115.700 -0.127 0.000 2.565 194 S HA 0.274 4.744 4.470 0.000 0.000 0.276 194 S C 1.099 175.628 174.600 -0.118 0.000 1.326 194 S CA 0.047 58.169 58.200 -0.131 0.000 1.045 194 S CB 1.281 64.376 63.200 -0.175 0.000 0.918 194 S HN 0.249 nan 8.310 nan 0.000 0.505 195 A N 3.930 126.692 122.820 -0.096 0.000 1.877 195 A HA 0.130 4.450 4.320 0.000 0.000 0.216 195 A C 1.314 178.844 177.584 -0.090 0.000 1.186 195 A CA 1.870 53.860 52.037 -0.080 0.000 0.620 195 A CB -0.944 18.021 19.000 -0.058 0.000 0.822 195 A HN 1.064 nan 8.150 nan 0.000 0.443 196 T N -5.645 108.845 114.554 -0.106 0.000 2.754 196 T HA 0.418 4.768 4.350 0.000 0.000 0.296 196 T C 0.325 174.928 174.700 -0.162 0.000 1.205 196 T CA 0.149 62.178 62.100 -0.119 0.000 1.009 196 T CB 1.137 69.951 68.868 -0.089 0.000 1.368 196 T HN 0.811 nan 8.240 nan 0.000 0.509 197 V N -1.757 118.049 119.914 -0.180 0.000 3.577 197 V HA 0.394 4.514 4.120 0.000 0.000 0.294 197 V C 0.577 176.564 176.094 -0.178 0.000 1.317 197 V CA -0.388 61.776 62.300 -0.227 0.000 1.169 197 V CB -1.582 30.075 31.823 -0.276 0.000 1.011 197 V HN 0.721 nan 8.190 nan 0.000 0.426 198 K N 1.231 121.559 120.400 -0.121 0.000 2.355 198 K HA 0.329 4.649 4.320 0.000 0.000 0.270 198 K C 1.567 178.165 176.600 -0.004 0.000 1.003 198 K CA 0.420 56.682 56.287 -0.042 0.000 0.957 198 K CB 1.067 33.557 32.500 -0.016 0.000 0.939 198 K HN 0.300 nan 8.250 nan 0.000 0.482 199 G N 1.776 110.648 108.800 0.121 0.000 2.450 199 G HA2 -0.314 3.646 3.960 0.000 0.000 0.220 199 G HA3 -0.314 3.646 3.960 0.000 0.000 0.220 199 G C 1.431 176.446 174.900 0.192 0.000 1.130 199 G CA 1.091 46.363 45.100 0.288 0.000 0.760 199 G HN 0.690 nan 8.290 nan 0.000 0.557 200 A N 0.575 123.460 122.820 0.108 0.000 2.019 200 A HA -0.024 4.296 4.320 0.000 0.000 0.219 200 A C 2.048 179.643 177.584 0.019 0.000 1.164 200 A CA 2.089 54.169 52.037 0.072 0.000 0.644 200 A CB -0.160 18.869 19.000 0.050 0.000 0.805 200 A HN 0.309 nan 8.150 nan 0.000 0.449 201 D N -1.176 119.207 120.400 -0.029 0.000 2.338 201 D HA 0.028 4.668 4.640 0.000 0.000 0.224 201 D C 1.737 177.948 176.300 -0.149 0.000 0.967 201 D CA 0.591 54.545 54.000 -0.076 0.000 0.896 201 D CB -0.218 40.530 40.800 -0.087 0.000 1.028 201 D HN 0.331 nan 8.370 nan 0.000 0.493 202 L N -0.434 120.629 121.223 -0.267 0.000 2.209 202 L HA 0.102 4.442 4.340 0.000 0.000 0.207 202 L C 0.080 176.561 176.870 -0.649 0.000 1.094 202 L CA 1.205 55.715 54.840 -0.549 0.000 0.790 202 L CB 0.027 41.567 42.059 -0.864 0.000 0.932 202 L HN -0.183 nan 8.230 nan 0.000 0.447 203 F N 1.346 121.322 119.950 0.042 0.000 2.542 203 F HA 0.430 4.957 4.527 0.000 0.000 0.323 203 F C -2.188 173.588 175.800 -0.039 0.000 1.411 203 F CA -2.859 55.134 58.000 -0.012 0.000 1.124 203 F CB -0.405 38.647 39.000 0.086 0.000 1.331 203 F HN -0.015 nan 8.300 nan 0.000 0.560 204 P HA 0.108 nan 4.420 nan 0.000 0.279 204 P C -0.170 177.122 177.300 -0.014 0.000 1.239 204 P CA 0.056 63.175 63.100 0.031 0.000 0.789 204 P CB 1.014 32.715 31.700 0.002 0.000 0.933 205 D N 0.907 121.300 120.400 -0.012 0.000 2.704 205 D HA -0.125 4.515 4.640 0.000 0.000 0.232 205 D C 1.261 177.495 176.300 -0.110 0.000 1.183 205 D CA 0.243 54.217 54.000 -0.043 0.000 0.647 205 D CB -1.332 39.448 40.800 -0.033 0.000 1.013 205 D HN 0.099 nan 8.370 nan 0.000 0.415 206 V N 0.556 120.343 119.914 -0.212 0.000 2.261 206 V HA -0.309 3.811 4.120 0.000 0.000 0.246 206 V C 2.770 178.709 176.094 -0.259 0.000 1.047 206 V CA 2.559 64.624 62.300 -0.390 0.000 1.015 206 V CB -0.480 30.730 31.823 -1.023 0.000 0.642 206 V HN 0.594 nan 8.190 nan 0.000 0.446 207 A N -0.233 122.481 122.820 -0.177 0.000 1.978 207 A HA -0.278 4.042 4.320 0.000 0.000 0.220 207 A C 2.399 179.923 177.584 -0.100 0.000 1.170 207 A CA 2.104 54.064 52.037 -0.129 0.000 0.636 207 A CB -0.627 18.319 19.000 -0.090 0.000 0.810 207 A HN 0.507 nan 8.150 nan 0.000 0.448 208 R N -0.620 119.832 120.500 -0.080 0.000 2.081 208 R HA -0.120 4.220 4.340 0.000 0.000 0.235 208 R C 2.226 178.493 176.300 -0.056 0.000 1.131 208 R CA 1.576 57.642 56.100 -0.056 0.000 0.960 208 R CB -0.608 29.666 30.300 -0.043 0.000 0.856 208 R HN 0.468 nan 8.270 nan 0.000 0.436 209 G N -0.050 108.705 108.800 -0.074 0.000 2.394 209 G HA2 -0.241 3.719 3.960 0.000 0.000 0.215 209 G HA3 -0.241 3.719 3.960 0.000 0.000 0.215 209 G C 1.201 176.066 174.900 -0.058 0.000 1.165 209 G CA 0.299 45.361 45.100 -0.063 0.000 0.784 209 G HN 0.388 nan 8.290 nan 0.000 0.535 210 Q N 0.185 119.934 119.800 -0.084 0.000 2.119 210 Q HA 0.056 4.396 4.340 0.000 0.000 0.201 210 Q C 2.976 178.949 176.000 -0.045 0.000 0.972 210 Q CA 1.067 56.828 55.803 -0.071 0.000 0.847 210 Q CB -0.210 28.458 28.738 -0.117 0.000 0.903 210 Q HN 0.470 nan 8.270 nan 0.000 0.433 211 A N 1.194 123.984 122.820 -0.050 0.000 1.930 211 A HA -0.088 4.232 4.320 0.000 0.000 0.217 211 A C 2.298 179.877 177.584 -0.008 0.000 1.175 211 A CA 1.483 53.505 52.037 -0.025 0.000 0.627 211 A CB -0.650 18.333 19.000 -0.028 0.000 0.815 211 A HN 0.383 nan 8.150 nan 0.000 0.443 212 A N -0.562 122.250 122.820 -0.013 0.000 1.933 212 A HA 0.022 4.342 4.320 0.000 0.000 0.218 212 A C 2.212 179.799 177.584 0.006 0.000 1.175 212 A CA 1.703 53.738 52.037 -0.004 0.000 0.628 212 A CB -0.833 18.161 19.000 -0.009 0.000 0.814 212 A HN 0.356 nan 8.150 nan 0.000 0.444 213 V N 0.145 120.062 119.914 0.006 0.000 2.295 213 V HA -0.251 3.869 4.120 0.000 0.000 0.246 213 V C 2.560 178.673 176.094 0.032 0.000 1.049 213 V CA 1.947 64.259 62.300 0.020 0.000 1.024 213 V CB -0.718 31.119 31.823 0.024 0.000 0.648 213 V HN 0.576 nan 8.190 nan 0.000 0.447 214 L N 0.057 121.301 121.223 0.034 0.000 2.083 214 L HA -0.141 4.199 4.340 0.000 0.000 0.209 214 L C 2.694 179.587 176.870 0.039 0.000 1.083 214 L CA 1.512 56.381 54.840 0.048 0.000 0.752 214 L CB -0.787 41.307 42.059 0.059 0.000 0.899 214 L HN 0.369 nan 8.230 nan 0.000 0.433 215 A N 0.054 122.891 122.820 0.028 0.000 2.019 215 A HA -0.199 4.121 4.320 0.000 0.000 0.219 215 A C 2.507 180.105 177.584 0.022 0.000 1.164 215 A CA 1.779 53.830 52.037 0.023 0.000 0.644 215 A CB -0.558 18.451 19.000 0.016 0.000 0.805 215 A HN 0.532 nan 8.150 nan 0.000 0.449 216 S N -1.566 114.147 115.700 0.023 0.000 2.423 216 S HA 0.252 4.722 4.470 0.000 0.000 0.231 216 S C 1.688 176.302 174.600 0.025 0.000 1.014 216 S CA 1.381 59.594 58.200 0.021 0.000 0.965 216 S CB -0.618 62.595 63.200 0.021 0.000 0.785 216 S HN 1.949 nan 8.310 nan 0.000 0.495 217 G N 1.191 110.009 108.800 0.031 0.000 2.184 217 G HA2 -0.284 3.676 3.960 0.000 0.000 0.264 217 G HA3 -0.284 3.676 3.960 0.000 0.000 0.264 217 G C 0.416 175.336 174.900 0.034 0.000 0.975 217 G CA 0.505 45.624 45.100 0.033 0.000 0.642 217 G HN 0.527 nan 8.290 nan 0.000 0.536 218 D N -0.408 120.013 120.400 0.034 0.000 2.182 218 D HA 0.098 4.738 4.640 0.000 0.000 0.201 218 D C 1.657 177.983 176.300 0.043 0.000 0.986 218 D CA 1.873 55.894 54.000 0.035 0.000 0.847 218 D CB 0.048 40.868 40.800 0.034 0.000 0.942 218 D HN 1.187 nan 8.370 nan 0.000 0.467 219 V N -3.068 116.878 119.914 0.052 0.000 3.078 219 V HA 0.402 4.522 4.120 0.000 0.000 0.311 219 V C 0.064 176.201 176.094 0.072 0.000 1.138 219 V CA -0.839 61.500 62.300 0.065 0.000 1.007 219 V CB 2.537 34.411 31.823 0.084 0.000 1.045 219 V HN -0.324 nan 8.190 nan 0.000 0.432 220 D N 1.247 121.693 120.400 0.076 0.000 2.327 220 D HA 0.483 5.123 4.640 0.000 0.000 0.205 220 D C 0.636 177.005 176.300 0.114 0.000 0.989 220 D CA 1.624 55.671 54.000 0.079 0.000 0.873 220 D CB 1.293 42.128 40.800 0.058 0.000 0.955 220 D HN 1.037 nan 8.370 nan 0.000 0.515 221 A N 0.277 123.191 122.820 0.157 0.000 2.612 221 A HA 0.635 4.955 4.320 0.000 0.000 0.293 221 A C -1.794 175.992 177.584 0.336 0.000 1.075 221 A CA -0.756 51.431 52.037 0.249 0.000 0.680 221 A CB 1.374 20.540 19.000 0.276 0.000 1.279 221 A HN 0.074 nan 8.150 nan 0.000 0.411 222 L N -1.789 119.656 121.223 0.370 0.000 2.540 222 L HA 0.772 5.112 4.340 0.000 0.000 0.256 222 L C -0.884 176.005 176.870 0.033 0.000 1.001 222 L CA -0.787 54.224 54.840 0.284 0.000 0.843 222 L CB 1.127 43.281 42.059 0.158 0.000 1.436 222 L HN 0.797 nan 8.230 nan 0.000 0.410 223 Y N 0.662 120.701 120.300 -0.435 0.000 2.335 223 Y HA 0.724 5.275 4.550 0.000 0.000 0.331 223 Y C 0.096 175.878 175.900 -0.197 0.000 1.094 223 Y CA 0.572 58.259 58.100 -0.687 0.000 1.253 223 Y CB 1.260 39.202 38.460 -0.862 0.000 1.203 223 Y HN 0.917 nan 8.280 nan 0.000 0.508 224 S N 6.576 121.857 115.700 -0.698 0.000 2.564 224 S HA 0.790 5.260 4.470 0.000 0.000 0.274 224 S C -1.730 172.628 174.600 -0.403 0.000 1.124 224 S CA -0.473 57.450 58.200 -0.461 0.000 0.869 224 S CB 0.818 63.719 63.200 -0.498 0.000 1.105 224 S HN 0.845 nan 8.310 nan 0.000 0.472 225 W N 2.996 124.012 121.300 -0.473 0.000 2.826 225 W HA 0.642 5.302 4.660 0.000 0.000 0.410 225 W C -1.480 174.838 176.519 -0.335 0.000 1.128 225 W CA -1.179 55.952 57.345 -0.358 0.000 1.176 225 W CB -1.130 28.098 29.460 -0.387 0.000 1.475 225 W HN 0.912 nan 8.180 nan 0.000 0.588 226 L N -1.765 119.152 121.223 -0.509 0.000 5.699 226 L HA -0.278 4.062 4.340 0.000 0.000 0.276 226 L C -1.621 174.855 176.870 -0.657 0.000 1.125 226 L CA 0.013 54.372 54.840 -0.802 0.000 1.287 226 L CB -1.762 39.404 42.059 -1.488 0.000 2.083 226 L HN 0.286 nan 8.230 nan 0.000 0.864 227 P HA -0.129 nan 4.420 nan 0.000 0.225 227 P C 1.164 178.303 177.300 -0.269 0.000 1.148 227 P CA 1.573 64.323 63.100 -0.582 0.000 0.779 227 P CB -0.033 31.291 31.700 -0.627 0.000 0.780 228 W N 0.242 121.357 121.300 -0.309 0.000 2.338 228 W HA -0.015 4.645 4.660 0.000 0.000 0.304 228 W C 2.381 178.721 176.519 -0.298 0.000 1.212 228 W CA 0.925 58.113 57.345 -0.261 0.000 1.264 228 W CB -1.937 27.373 29.460 -0.249 0.000 1.142 228 W HN -0.005 nan 8.180 nan 0.000 0.512 229 A N 0.713 123.467 122.820 -0.109 0.000 1.969 229 A HA -0.009 4.311 4.320 0.000 0.000 0.218 229 A C 2.430 179.900 177.584 -0.189 0.000 1.169 229 A CA 2.108 53.977 52.037 -0.279 0.000 0.635 229 A CB -1.318 17.609 19.000 -0.121 0.000 0.810 229 A HN 0.267 nan 8.150 nan 0.000 0.445 230 G N -0.310 108.411 108.800 -0.132 0.000 2.421 230 G HA2 -0.211 3.749 3.960 0.000 0.000 0.216 230 G HA3 -0.211 3.749 3.960 0.000 0.000 0.216 230 G C 1.423 176.277 174.900 -0.077 0.000 1.171 230 G CA 0.935 45.978 45.100 -0.095 0.000 0.775 230 G HN 0.650 nan 8.290 nan 0.000 0.543 231 E N -0.303 119.848 120.200 -0.082 0.000 2.152 231 E HA -0.033 4.317 4.350 0.000 0.000 0.192 231 E C 2.374 178.926 176.600 -0.081 0.000 0.983 231 E CA 0.343 56.707 56.400 -0.059 0.000 0.818 231 E CB -0.089 29.592 29.700 -0.033 0.000 0.758 231 E HN 0.340 nan 8.360 nan 0.000 0.467 232 L N 1.412 122.543 121.223 -0.153 0.000 2.056 232 L HA -0.188 4.152 4.340 0.000 0.000 0.207 232 L C 2.377 179.179 176.870 -0.115 0.000 1.078 232 L CA 1.803 56.516 54.840 -0.211 0.000 0.749 232 L CB -0.409 41.365 42.059 -0.475 0.000 0.901 232 L HN 0.029 nan 8.230 nan 0.000 0.433 233 Q N -0.857 118.908 119.800 -0.057 0.000 2.170 233 Q HA -0.161 4.179 4.340 0.000 0.000 0.203 233 Q C 2.005 178.039 176.000 0.056 0.000 0.976 233 Q CA 1.401 57.274 55.803 0.117 0.000 0.858 233 Q CB -0.153 28.698 28.738 0.188 0.000 0.907 233 Q HN 0.642 nan 8.270 nan 0.000 0.433 234 A N 0.049 122.876 122.820 0.011 0.000 2.172 234 A HA -0.114 4.206 4.320 0.000 0.000 0.216 234 A C 1.999 179.587 177.584 0.007 0.000 1.154 234 A CA 1.539 53.579 52.037 0.006 0.000 0.701 234 A CB -0.569 18.425 19.000 -0.010 0.000 0.789 234 A HN 0.587 nan 8.150 nan 0.000 0.465 235 T N -5.303 109.253 114.554 0.005 0.000 3.100 235 T HA 0.406 4.756 4.350 0.000 0.000 0.253 235 T C 1.346 176.060 174.700 0.024 0.000 1.118 235 T CA 1.191 63.295 62.100 0.006 0.000 1.058 235 T CB 0.291 69.156 68.868 -0.006 0.000 0.953 235 T HN 1.496 nan 8.240 nan 0.000 0.515 236 G N 0.792 109.617 108.800 0.042 0.000 2.231 236 G HA2 0.078 4.038 3.960 0.000 0.000 0.206 236 G HA3 0.078 4.038 3.960 0.000 0.000 0.206 236 G C 0.334 175.285 174.900 0.084 0.000 0.996 236 G CA -0.185 44.946 45.100 0.052 0.000 0.645 236 G HN 1.032 nan 8.290 nan 0.000 0.498 237 A N 0.555 123.446 122.820 0.119 0.000 2.366 237 A HA 0.772 5.092 4.320 0.000 0.000 0.249 237 A C 0.734 178.498 177.584 0.299 0.000 1.084 237 A CA 0.922 53.084 52.037 0.209 0.000 0.794 237 A CB 0.220 19.365 19.000 0.242 0.000 1.034 237 A HN 1.392 nan 8.150 nan 0.000 0.491 238 R N 1.004 121.643 120.500 0.231 0.000 2.698 238 R HA 0.632 4.972 4.340 0.000 0.000 0.275 238 R C -3.340 172.710 176.300 -0.416 0.000 1.001 238 R CA -1.926 54.160 56.100 -0.023 0.000 0.896 238 R CB 1.916 32.199 30.300 -0.028 0.000 1.218 238 R HN 0.458 nan 8.270 nan 0.000 0.462 239 P HA 0.063 nan 4.420 nan 0.000 0.285 239 P C 0.790 177.893 177.300 -0.328 0.000 1.259 239 P CA -0.519 62.071 63.100 -0.851 0.000 0.794 239 P CB 1.744 32.878 31.700 -0.944 0.000 0.940 240 V N 3.163 122.972 119.914 -0.174 0.000 2.407 240 V HA -0.119 4.001 4.120 0.000 0.000 0.248 240 V C 1.201 177.230 176.094 -0.108 0.000 1.055 240 V CA 1.590 63.840 62.300 -0.084 0.000 1.049 240 V CB -0.276 31.542 31.823 -0.008 0.000 0.662 240 V HN 0.386 nan 8.190 nan 0.000 0.455 241 V N 0.312 120.157 119.914 -0.115 0.000 2.612 241 V HA 0.336 4.456 4.120 0.000 0.000 0.301 241 V C -1.133 174.890 176.094 -0.118 0.000 1.059 241 V CA -0.862 61.343 62.300 -0.157 0.000 0.886 241 V CB 1.917 33.615 31.823 -0.208 0.000 1.007 241 V HN 0.271 nan 8.190 nan 0.000 0.426 242 D N 4.190 124.518 120.400 -0.120 0.000 2.402 242 D HA 0.259 4.899 4.640 0.000 0.000 0.235 242 D C 1.049 177.345 176.300 -0.006 0.000 1.226 242 D CA -0.023 53.936 54.000 -0.068 0.000 0.918 242 D CB 1.052 41.815 40.800 -0.061 0.000 1.043 242 D HN 0.487 nan 8.370 nan 0.000 0.506 243 L N 2.782 124.038 121.223 0.055 0.000 2.362 243 L HA 0.016 4.356 4.340 0.000 0.000 0.219 243 L C 2.351 179.283 176.870 0.103 0.000 1.134 243 L CA 0.793 55.699 54.840 0.110 0.000 0.807 243 L CB -0.123 42.050 42.059 0.189 0.000 0.927 243 L HN 0.464 nan 8.230 nan 0.000 0.447 244 G N 0.118 108.973 108.800 0.091 0.000 2.535 244 G HA2 -0.134 3.826 3.960 0.000 0.000 0.218 244 G HA3 -0.134 3.826 3.960 0.000 0.000 0.218 244 G C 1.463 176.400 174.900 0.061 0.000 1.122 244 G CA 0.191 45.343 45.100 0.087 0.000 0.769 244 G HN 0.332 nan 8.290 nan 0.000 0.549 245 L N -0.232 121.018 121.223 0.045 0.000 2.591 245 L HA 0.235 4.575 4.340 0.000 0.000 0.228 245 L C 0.196 177.089 176.870 0.039 0.000 1.133 245 L CA 0.075 54.935 54.840 0.034 0.000 0.880 245 L CB 0.221 42.291 42.059 0.017 0.000 1.033 245 L HN 0.043 nan 8.230 nan 0.000 0.450 246 D N 0.106 120.536 120.400 0.049 0.000 2.696 246 D HA 0.008 4.648 4.640 0.000 0.000 0.251 246 D C 0.632 176.953 176.300 0.034 0.000 1.188 246 D CA -0.185 53.839 54.000 0.040 0.000 0.876 246 D CB 1.977 42.806 40.800 0.048 0.000 1.334 246 D HN -0.116 nan 8.370 nan 0.000 0.540 247 E N 3.420 123.632 120.200 0.020 0.000 2.267 247 E HA -0.212 4.138 4.350 0.000 0.000 0.197 247 E C 1.488 178.087 176.600 -0.001 0.000 0.998 247 E CA 0.788 57.197 56.400 0.014 0.000 0.830 247 E CB 0.138 29.846 29.700 0.012 0.000 0.751 247 E HN 0.600 nan 8.360 nan 0.000 0.491 248 R N -0.097 120.398 120.500 -0.007 0.000 2.328 248 R HA 0.021 4.361 4.340 0.000 0.000 0.207 248 R C 0.937 177.250 176.300 0.021 0.000 1.056 248 R CA 1.001 57.095 56.100 -0.010 0.000 1.016 248 R CB -0.192 30.065 30.300 -0.072 0.000 0.872 248 R HN -0.010 nan 8.270 nan 0.000 0.471 249 N N 0.653 119.362 118.700 0.015 0.000 2.203 249 N HA 0.141 4.881 4.740 0.000 0.000 0.207 249 N C -0.298 175.126 175.510 -0.144 0.000 1.130 249 N CA 0.284 53.327 53.050 -0.012 0.000 0.861 249 N CB 1.234 39.794 38.487 0.122 0.000 1.005 249 N HN 0.280 nan 8.380 nan 0.000 0.507 250 A N 0.425 123.160 122.820 -0.142 0.000 2.304 250 A HA 0.560 4.880 4.320 0.000 0.000 0.271 250 A C -0.803 176.598 177.584 -0.306 0.000 1.091 250 A CA 0.015 51.995 52.037 -0.095 0.000 0.812 250 A CB 0.433 19.430 19.000 -0.006 0.000 1.056 250 A HN 0.150 nan 8.150 nan 0.000 0.489 251 Y N -1.158 119.220 120.300 0.130 0.000 2.602 251 Y HA 0.581 5.131 4.550 0.000 0.000 0.342 251 Y C 0.400 176.375 175.900 0.124 0.000 1.029 251 Y CA -0.295 57.894 58.100 0.149 0.000 1.080 251 Y CB 2.208 40.796 38.460 0.213 0.000 1.284 251 Y HN 0.761 nan 8.280 nan 0.000 0.485 252 A N 1.366 124.379 122.820 0.321 0.000 2.394 252 A HA 0.573 4.893 4.320 0.000 0.000 0.333 252 A C -0.708 177.022 177.584 0.244 0.000 1.397 252 A CA -0.597 51.578 52.037 0.229 0.000 0.884 252 A CB -0.194 18.921 19.000 0.191 0.000 1.147 252 A HN 0.603 nan 8.150 nan 0.000 0.505 253 S N 0.878 116.716 115.700 0.230 0.000 2.549 253 S HA 0.397 4.867 4.470 0.000 0.000 0.283 253 S C 0.461 175.259 174.600 0.330 0.000 1.320 253 S CA -0.148 58.222 58.200 0.283 0.000 1.058 253 S CB 0.779 64.125 63.200 0.243 0.000 0.882 253 S HN 1.270 nan 8.310 nan 0.000 0.498 254 V N 0.812 120.874 119.914 0.248 0.000 2.715 254 V HA 0.697 4.817 4.120 0.000 0.000 0.310 254 V C -1.139 174.826 176.094 -0.215 0.000 1.054 254 V CA -1.063 61.241 62.300 0.006 0.000 0.928 254 V CB 1.448 33.265 31.823 -0.010 0.000 1.007 254 V HN 0.887 nan 8.190 nan 0.000 0.437 255 W N 4.961 125.760 121.300 -0.836 0.000 2.329 255 W HA 0.778 5.438 4.660 0.000 0.000 0.312 255 W C 0.053 176.258 176.519 -0.522 0.000 1.054 255 W CA -0.344 56.428 57.345 -0.956 0.000 1.245 255 W CB 1.108 29.734 29.460 -1.389 0.000 1.255 255 W HN 1.039 nan 8.180 nan 0.000 0.436 256 T N 2.454 116.916 114.554 -0.154 0.000 2.942 256 T HA 0.809 5.159 4.350 0.000 0.000 0.289 256 T C -1.125 173.419 174.700 -0.260 0.000 1.044 256 T CA -0.896 61.050 62.100 -0.257 0.000 1.023 256 T CB 2.001 70.821 68.868 -0.079 0.000 1.123 256 T HN 0.413 nan 8.240 nan 0.000 0.512 257 V N 0.259 120.030 119.914 -0.238 0.000 3.087 257 V HA 0.562 4.682 4.120 0.000 0.000 0.306 257 V C -0.418 175.651 176.094 -0.041 0.000 1.187 257 V CA -0.781 61.410 62.300 -0.182 0.000 0.999 257 V CB 2.503 34.118 31.823 -0.346 0.000 1.049 257 V HN 1.198 nan 8.190 nan 0.000 0.431 258 S N 3.084 118.810 115.700 0.043 0.000 2.546 258 S HA 0.045 4.515 4.470 0.000 0.000 0.290 258 S C 1.394 176.018 174.600 0.040 0.000 1.290 258 S CA 0.478 58.738 58.200 0.099 0.000 1.069 258 S CB 1.188 64.463 63.200 0.126 0.000 0.846 258 S HN 0.883 nan 8.310 nan 0.000 0.495 259 S N 3.549 119.289 115.700 0.067 0.000 2.400 259 S HA -0.115 4.356 4.470 0.000 0.000 0.232 259 S C 2.295 176.921 174.600 0.042 0.000 1.025 259 S CA 1.203 59.435 58.200 0.054 0.000 0.993 259 S CB -0.543 62.704 63.200 0.078 0.000 0.808 259 S HN 0.926 nan 8.310 nan 0.000 0.478 260 G N 1.489 110.317 108.800 0.047 0.000 2.432 260 G HA2 -0.125 3.835 3.960 0.000 0.000 0.219 260 G HA3 -0.125 3.835 3.960 0.000 0.000 0.219 260 G C 1.289 176.204 174.900 0.025 0.000 1.135 260 G CA 0.475 45.599 45.100 0.040 0.000 0.767 260 G HN 0.443 nan 8.290 nan 0.000 0.550 261 L N 0.142 121.368 121.223 0.006 0.000 2.093 261 L HA -0.061 4.279 4.340 0.000 0.000 0.208 261 L C 2.959 179.806 176.870 -0.040 0.000 1.085 261 L CA 0.338 55.162 54.840 -0.025 0.000 0.755 261 L CB -0.395 41.627 42.059 -0.061 0.000 0.904 261 L HN 0.090 nan 8.230 nan 0.000 0.435 262 V N -0.028 119.863 119.914 -0.037 0.000 2.343 262 V HA -0.280 3.840 4.120 0.000 0.000 0.247 262 V C 2.673 178.844 176.094 0.128 0.000 1.051 262 V CA 1.915 64.236 62.300 0.035 0.000 1.036 262 V CB -0.505 31.368 31.823 0.082 0.000 0.654 262 V HN 0.406 nan 8.190 nan 0.000 0.451 263 R N 0.006 120.553 120.500 0.079 0.000 2.080 263 R HA -0.040 4.300 4.340 0.000 0.000 0.222 263 R C 2.188 178.521 176.300 0.056 0.000 1.107 263 R CA 1.519 57.662 56.100 0.070 0.000 0.980 263 R CB -0.321 30.010 30.300 0.052 0.000 0.879 263 R HN 0.594 nan 8.270 nan 0.000 0.439 264 Q N -0.619 119.207 119.800 0.043 0.000 2.250 264 Q HA 0.152 4.492 4.340 0.000 0.000 0.200 264 Q C 0.236 176.255 176.000 0.032 0.000 0.941 264 Q CA 0.830 56.653 55.803 0.034 0.000 0.872 264 Q CB 0.468 29.223 28.738 0.028 0.000 0.965 264 Q HN 0.068 nan 8.270 nan 0.000 0.480 265 R N 0.939 121.455 120.500 0.027 0.000 2.738 265 R HA 0.178 4.518 4.340 0.000 0.000 0.280 265 R C -2.153 174.161 176.300 0.023 0.000 1.456 265 R CA -1.091 55.020 56.100 0.019 0.000 1.612 265 R CB 0.909 31.210 30.300 0.002 0.000 1.286 265 R HN 0.098 nan 8.270 nan 0.000 0.660 266 P HA -0.130 nan 4.420 nan 0.000 0.222 266 P C 1.250 178.649 177.300 0.166 0.000 1.147 266 P CA 1.210 64.429 63.100 0.199 0.000 0.790 266 P CB 0.381 32.227 31.700 0.243 0.000 0.780 267 G N 0.531 109.382 108.800 0.086 0.000 2.403 267 G HA2 -0.198 3.762 3.960 0.000 0.000 0.216 267 G HA3 -0.198 3.762 3.960 0.000 0.000 0.216 267 G C 1.476 176.393 174.900 0.029 0.000 1.154 267 G CA 0.407 45.545 45.100 0.064 0.000 0.784 267 G HN 0.249 nan 8.290 nan 0.000 0.538 268 L N 0.943 122.165 121.223 -0.002 0.000 2.056 268 L HA 0.069 4.410 4.340 0.000 0.000 0.207 268 L C 2.798 179.614 176.870 -0.089 0.000 1.078 268 L CA 1.395 56.216 54.840 -0.030 0.000 0.749 268 L CB -0.513 41.527 42.059 -0.030 0.000 0.901 268 L HN 0.055 nan 8.230 nan 0.000 0.433 269 V N -0.380 119.421 119.914 -0.189 0.000 2.407 269 V HA -0.269 3.851 4.120 0.000 0.000 0.248 269 V C 2.611 178.506 176.094 -0.332 0.000 1.055 269 V CA 1.723 63.763 62.300 -0.435 0.000 1.049 269 V CB -0.672 30.590 31.823 -0.934 0.000 0.662 269 V HN 0.541 nan 8.190 nan 0.000 0.455 270 Q N 0.401 120.160 119.800 -0.069 0.000 2.079 270 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 270 Q C 2.295 178.330 176.000 0.059 0.000 0.974 270 Q CA 1.704 57.577 55.803 0.115 0.000 0.840 270 Q CB -0.263 28.594 28.738 0.199 0.000 0.898 270 Q HN 0.534 nan 8.270 nan 0.000 0.430 271 R N -0.611 119.909 120.500 0.032 0.000 2.081 271 R HA -0.125 4.215 4.340 0.000 0.000 0.235 271 R C 2.185 178.520 176.300 0.058 0.000 1.131 271 R CA 1.298 57.424 56.100 0.044 0.000 0.960 271 R CB -0.492 29.825 30.300 0.029 0.000 0.856 271 R HN 0.273 nan 8.270 nan 0.000 0.436 272 L N 0.406 121.646 121.223 0.029 0.000 2.017 272 L HA -0.142 4.198 4.340 0.000 0.000 0.208 272 L C 1.979 178.976 176.870 0.212 0.000 1.073 272 L CA 1.660 56.553 54.840 0.090 0.000 0.745 272 L CB -0.319 41.747 42.059 0.011 0.000 0.894 272 L HN -0.076 nan 8.230 nan 0.000 0.432 273 V N -0.124 119.855 119.914 0.109 0.000 2.358 273 V HA -0.245 3.875 4.120 0.000 0.000 0.246 273 V C 2.247 178.474 176.094 0.222 0.000 1.047 273 V CA 1.814 64.244 62.300 0.216 0.000 1.035 273 V CB -0.846 31.009 31.823 0.052 0.000 0.658 273 V HN 0.442 nan 8.190 nan 0.000 0.452 274 D N 0.616 121.108 120.400 0.152 0.000 2.144 274 D HA -0.122 4.518 4.640 0.000 0.000 0.199 274 D C 2.223 178.603 176.300 0.132 0.000 0.984 274 D CA 1.640 55.723 54.000 0.139 0.000 0.834 274 D CB -0.328 40.538 40.800 0.109 0.000 0.955 274 D HN 0.437 nan 8.370 nan 0.000 0.465 275 A N 0.848 123.747 122.820 0.132 0.000 1.933 275 A HA -0.015 4.305 4.320 0.000 0.000 0.218 275 A C 2.287 179.870 177.584 -0.002 0.000 1.175 275 A CA 2.082 54.187 52.037 0.114 0.000 0.628 275 A CB -0.634 18.445 19.000 0.132 0.000 0.814 275 A HN 0.234 nan 8.150 nan 0.000 0.444 276 A N -0.684 122.173 122.820 0.063 0.000 1.930 276 A HA 0.058 4.378 4.320 0.000 0.000 0.217 276 A C 2.211 179.764 177.584 -0.052 0.000 1.175 276 A CA 1.629 53.645 52.037 -0.036 0.000 0.627 276 A CB -0.794 18.195 19.000 -0.019 0.000 0.815 276 A HN 0.344 nan 8.150 nan 0.000 0.443 277 V N 0.659 120.602 119.914 0.049 0.000 2.358 277 V HA -0.222 3.898 4.120 0.000 0.000 0.246 277 V C 2.118 178.179 176.094 -0.056 0.000 1.047 277 V CA 2.289 64.614 62.300 0.042 0.000 1.035 277 V CB -0.758 31.144 31.823 0.132 0.000 0.658 277 V HN 0.491 nan 8.190 nan 0.000 0.452 278 D N 0.462 120.818 120.400 -0.074 0.000 2.144 278 D HA -0.110 4.530 4.640 0.000 0.000 0.199 278 D C 2.192 178.136 176.300 -0.593 0.000 0.984 278 D CA 1.582 55.482 54.000 -0.166 0.000 0.834 278 D CB -0.306 40.506 40.800 0.020 0.000 0.955 278 D HN 0.446 nan 8.370 nan 0.000 0.465 279 A N 0.667 122.943 122.820 -0.906 0.000 1.930 279 A HA 0.019 4.339 4.320 0.000 0.000 0.217 279 A C 2.371 179.794 177.584 -0.269 0.000 1.175 279 A CA 1.885 53.308 52.037 -1.023 0.000 0.627 279 A CB -0.978 17.588 19.000 -0.724 0.000 0.815 279 A HN 0.298 nan 8.150 nan 0.000 0.443 280 G N -0.184 108.505 108.800 -0.185 0.000 2.422 280 G HA2 -0.135 3.825 3.960 0.000 0.000 0.218 280 G HA3 -0.135 3.825 3.960 0.000 0.000 0.218 280 G C 1.534 176.402 174.900 -0.053 0.000 1.146 280 G CA 1.028 46.082 45.100 -0.077 0.000 0.769 280 G HN 0.434 nan 8.290 nan 0.000 0.547 281 L N -1.406 119.774 121.223 -0.071 0.000 2.072 281 L HA 0.049 4.389 4.340 0.000 0.000 0.205 281 L C 2.577 179.473 176.870 0.042 0.000 1.079 281 L CA 0.987 55.795 54.840 -0.053 0.000 0.752 281 L CB -0.373 41.611 42.059 -0.126 0.000 0.906 281 L HN 0.455 nan 8.230 nan 0.000 0.436 282 W N 1.105 122.333 121.300 -0.120 0.000 2.363 282 W HA -0.198 4.462 4.660 0.000 0.000 0.296 282 W C 2.432 178.992 176.519 0.068 0.000 1.212 282 W CA 1.496 58.842 57.345 0.002 0.000 1.260 282 W CB -0.061 29.400 29.460 0.001 0.000 1.131 282 W HN 0.097 nan 8.180 nan 0.000 0.530 283 A N 0.918 123.770 122.820 0.053 0.000 2.024 283 A HA -0.209 4.111 4.320 0.000 0.000 0.220 283 A C 1.968 179.412 177.584 -0.234 0.000 1.164 283 A CA 1.747 53.694 52.037 -0.151 0.000 0.643 283 A CB -0.731 18.258 19.000 -0.018 0.000 0.806 283 A HN 0.453 nan 8.150 nan 0.000 0.451 284 R N -0.313 120.090 120.500 -0.162 0.000 2.120 284 R HA -0.096 4.245 4.340 0.000 0.000 0.234 284 R C 0.415 176.591 176.300 -0.208 0.000 1.123 284 R CA 1.385 57.384 56.100 -0.168 0.000 0.975 284 R CB -0.176 30.057 30.300 -0.112 0.000 0.866 284 R HN 0.472 nan 8.270 nan 0.000 0.446 285 D N -1.038 119.221 120.400 -0.236 0.000 2.395 285 D HA 0.047 4.687 4.640 0.000 0.000 0.213 285 D C -0.226 175.645 176.300 -0.715 0.000 1.110 285 D CA 0.439 54.221 54.000 -0.363 0.000 0.835 285 D CB 0.582 41.206 40.800 -0.295 0.000 0.965 285 D HN 0.304 nan 8.370 nan 0.000 0.505 286 H N -0.755 117.968 119.070 -0.579 0.000 2.716 286 H HA 0.258 4.814 4.556 0.000 0.000 0.230 286 H C 1.238 176.300 175.328 -0.443 0.000 1.401 286 H CA -0.291 55.386 56.048 -0.618 0.000 1.168 286 H CB 0.558 29.582 29.762 -1.231 0.000 1.935 286 H HN -0.232 nan 8.280 nan 0.000 0.538 287 S N 0.257 115.794 115.700 -0.272 0.000 2.365 287 S HA -0.206 4.264 4.470 0.000 0.000 0.225 287 S C 1.591 176.105 174.600 -0.143 0.000 1.039 287 S CA 1.796 59.852 58.200 -0.240 0.000 1.033 287 S CB 0.054 63.115 63.200 -0.231 0.000 0.887 287 S HN 0.585 nan 8.310 nan 0.000 0.447 288 D N 1.584 121.926 120.400 -0.097 0.000 2.117 288 D HA -0.029 4.611 4.640 0.000 0.000 0.197 288 D C 2.199 178.520 176.300 0.035 0.000 0.987 288 D CA 1.258 55.243 54.000 -0.025 0.000 0.829 288 D CB -0.490 40.297 40.800 -0.022 0.000 0.961 288 D HN 0.414 nan 8.370 nan 0.000 0.460 289 A N 0.834 123.682 122.820 0.047 0.000 1.902 289 A HA -0.135 4.185 4.320 0.000 0.000 0.217 289 A C 2.563 180.261 177.584 0.189 0.000 1.181 289 A CA 1.202 53.324 52.037 0.142 0.000 0.623 289 A CB -0.705 18.431 19.000 0.227 0.000 0.818 289 A HN 0.149 nan 8.150 nan 0.000 0.443 290 V N -0.474 119.528 119.914 0.147 0.000 2.358 290 V HA -0.200 3.920 4.120 0.000 0.000 0.246 290 V C 2.713 179.039 176.094 0.386 0.000 1.047 290 V CA 2.388 64.843 62.300 0.259 0.000 1.035 290 V CB -1.213 30.671 31.823 0.102 0.000 0.658 290 V HN 0.593 nan 8.190 nan 0.000 0.452 291 T N -0.223 114.481 114.554 0.249 0.000 2.708 291 T HA -0.176 4.174 4.350 0.000 0.000 0.266 291 T C 2.174 177.019 174.700 0.241 0.000 1.037 291 T CA 1.895 64.176 62.100 0.302 0.000 1.146 291 T CB -0.257 68.713 68.868 0.170 0.000 0.865 291 T HN 0.487 nan 8.240 nan 0.000 0.435 292 S N 1.894 117.698 115.700 0.172 0.000 2.370 292 S HA -0.103 4.367 4.470 0.000 0.000 0.226 292 S C 2.107 176.791 174.600 0.140 0.000 1.033 292 S CA 1.437 59.716 58.200 0.131 0.000 1.011 292 S CB -0.504 62.759 63.200 0.104 0.000 0.852 292 S HN 0.585 nan 8.310 nan 0.000 0.457 293 L N -0.089 121.235 121.223 0.168 0.000 2.141 293 L HA 0.089 4.429 4.340 0.000 0.000 0.209 293 L C 1.862 178.769 176.870 0.062 0.000 1.094 293 L CA 1.802 56.703 54.840 0.102 0.000 0.763 293 L CB -1.170 40.940 42.059 0.085 0.000 0.908 293 L HN 0.126 nan 8.230 nan 0.000 0.437 294 H N 0.511 119.655 119.070 0.124 0.000 2.395 294 H HA 0.191 4.747 4.556 0.000 0.000 0.299 294 H C 2.369 177.729 175.328 0.053 0.000 1.070 294 H CA 1.434 57.547 56.048 0.108 0.000 1.356 294 H CB -0.144 29.723 29.762 0.174 0.000 1.401 294 H HN 0.493 nan 8.280 nan 0.000 0.524 295 A N 0.781 123.695 122.820 0.157 0.000 1.902 295 A HA -0.129 4.191 4.320 0.000 0.000 0.217 295 A C 2.488 180.106 177.584 0.058 0.000 1.181 295 A CA 1.641 53.717 52.037 0.065 0.000 0.623 295 A CB -1.050 17.979 19.000 0.048 0.000 0.818 295 A HN 0.468 nan 8.150 nan 0.000 0.443 296 A N 0.029 122.887 122.820 0.063 0.000 1.898 296 A HA -0.198 4.122 4.320 0.000 0.000 0.216 296 A C 2.069 179.683 177.584 0.050 0.000 1.181 296 A CA 1.638 53.705 52.037 0.050 0.000 0.620 296 A CB -0.724 18.304 19.000 0.047 0.000 0.819 296 A HN 0.670 nan 8.150 nan 0.000 0.442 297 N N 0.038 118.767 118.700 0.048 0.000 2.166 297 N HA -0.087 4.653 4.740 0.000 0.000 0.186 297 N C 1.450 177.003 175.510 0.072 0.000 1.019 297 N CA 1.368 54.447 53.050 0.049 0.000 0.856 297 N CB -0.106 38.395 38.487 0.022 0.000 0.993 297 N HN 0.511 nan 8.380 nan 0.000 0.426 298 L N -0.551 120.721 121.223 0.082 0.000 2.585 298 L HA 0.242 4.582 4.340 0.000 0.000 0.226 298 L C 1.096 178.044 176.870 0.129 0.000 1.113 298 L CA 0.334 55.244 54.840 0.117 0.000 0.876 298 L CB 0.054 42.158 42.059 0.075 0.000 1.072 298 L HN 0.193 nan 8.230 nan 0.000 0.468 299 G N 1.665 110.515 108.800 0.084 0.000 2.225 299 G HA2 -0.211 3.749 3.960 0.000 0.000 0.264 299 G HA3 -0.211 3.749 3.960 0.000 0.000 0.264 299 G C 0.012 174.953 174.900 0.069 0.000 1.060 299 G CA 0.354 45.498 45.100 0.073 0.000 0.833 299 G HN 0.284 nan 8.290 nan 0.000 0.498 300 V N -3.133 116.809 119.914 0.045 0.000 3.155 300 V HA 0.972 5.092 4.120 0.000 0.000 0.313 300 V C 0.713 176.804 176.094 -0.005 0.000 1.162 300 V CA -0.176 62.136 62.300 0.020 0.000 1.048 300 V CB 1.531 33.348 31.823 -0.009 0.000 1.092 300 V HN 1.502 nan 8.190 nan 0.000 0.447 301 S N 0.081 115.768 115.700 -0.021 0.000 2.593 301 S HA 0.208 4.678 4.470 0.000 0.000 0.269 301 S C 1.301 175.879 174.600 -0.036 0.000 1.334 301 S CA 0.346 58.533 58.200 -0.021 0.000 1.015 301 S CB 0.917 64.103 63.200 -0.023 0.000 0.912 301 S HN 1.585 nan 8.310 nan 0.000 0.541 302 T N -0.434 114.111 114.554 -0.015 0.000 2.788 302 T HA 0.012 4.362 4.350 0.000 0.000 0.268 302 T C 1.994 176.677 174.700 -0.028 0.000 1.044 302 T CA 1.123 63.219 62.100 -0.006 0.000 1.139 302 T CB -1.379 67.499 68.868 0.017 0.000 0.867 302 T HN 0.845 nan 8.240 nan 0.000 0.454 303 G N 1.310 110.091 108.800 -0.031 0.000 2.422 303 G HA2 0.069 4.029 3.960 0.000 0.000 0.218 303 G HA3 0.069 4.029 3.960 0.000 0.000 0.218 303 G C 1.899 176.752 174.900 -0.078 0.000 1.146 303 G CA 0.735 45.812 45.100 -0.038 0.000 0.769 303 G HN 0.737 nan 8.290 nan 0.000 0.547 304 A N 0.146 122.903 122.820 -0.104 0.000 1.972 304 A HA 0.105 4.425 4.320 0.000 0.000 0.219 304 A C 2.574 179.976 177.584 -0.304 0.000 1.169 304 A CA 1.650 53.587 52.037 -0.166 0.000 0.635 304 A CB -0.468 18.445 19.000 -0.146 0.000 0.810 304 A HN 0.245 nan 8.150 nan 0.000 0.446 305 V N -0.113 119.609 119.914 -0.320 0.000 2.295 305 V HA -0.202 3.918 4.120 0.000 0.000 0.246 305 V C 2.821 178.629 176.094 -0.477 0.000 1.049 305 V CA 2.037 63.999 62.300 -0.562 0.000 1.024 305 V CB -1.410 30.228 31.823 -0.309 0.000 0.648 305 V HN 0.602 nan 8.190 nan 0.000 0.447 306 G N -1.073 107.637 108.800 -0.151 0.000 2.422 306 G HA2 -0.228 3.732 3.960 0.000 0.000 0.218 306 G HA3 -0.228 3.732 3.960 0.000 0.000 0.218 306 G C 1.496 176.358 174.900 -0.064 0.000 1.146 306 G CA 0.527 45.623 45.100 -0.006 0.000 0.769 306 G HN 0.464 nan 8.290 nan 0.000 0.547 307 Q N 0.395 120.123 119.800 -0.119 0.000 2.079 307 Q HA -0.038 4.302 4.340 0.000 0.000 0.200 307 Q C 2.805 178.723 176.000 -0.136 0.000 0.974 307 Q CA 1.500 57.248 55.803 -0.091 0.000 0.840 307 Q CB -0.929 27.762 28.738 -0.078 0.000 0.898 307 Q HN 0.449 nan 8.270 nan 0.000 0.430 308 G N -0.704 107.910 108.800 -0.310 0.000 2.421 308 G HA2 -0.137 3.823 3.960 0.000 0.000 0.217 308 G HA3 -0.137 3.823 3.960 0.000 0.000 0.217 308 G C 0.785 175.568 174.900 -0.196 0.000 1.143 308 G CA 0.307 45.179 45.100 -0.380 0.000 0.784 308 G HN 0.218 nan 8.290 nan 0.000 0.541 309 F N 0.437 120.195 119.950 -0.320 0.000 2.720 309 F HA 0.437 4.964 4.527 0.000 0.000 0.301 309 F C 1.298 177.016 175.800 -0.136 0.000 1.103 309 F CA -0.527 57.250 58.000 -0.371 0.000 1.291 309 F CB 0.122 38.597 39.000 -0.875 0.000 1.086 309 F HN 0.279 nan 8.300 nan 0.000 0.592 310 G N 0.332 109.205 108.800 0.122 0.000 2.911 310 G HA2 0.208 4.169 3.960 0.000 0.000 0.686 310 G HA3 0.208 4.169 3.960 0.000 0.000 0.686 310 G C 0.748 175.771 174.900 0.204 0.000 1.136 310 G CA -0.478 44.705 45.100 0.138 0.000 0.764 310 G HN 0.407 nan 8.290 nan 0.000 0.626 311 A N 0.827 123.714 122.820 0.113 0.000 1.940 311 A HA -0.042 4.279 4.320 0.000 0.000 0.221 311 A C 1.526 179.140 177.584 0.051 0.000 1.190 311 A CA 2.468 54.553 52.037 0.081 0.000 0.647 311 A CB -0.113 18.906 19.000 0.030 0.000 0.821 311 A HN 0.735 nan 8.150 nan 0.000 0.457 312 D N -1.133 119.288 120.400 0.034 0.000 2.755 312 D HA 0.237 4.877 4.640 0.000 0.000 0.257 312 D C 0.809 177.067 176.300 -0.070 0.000 1.291 312 D CA -0.234 53.729 54.000 -0.062 0.000 0.836 312 D CB -0.157 40.609 40.800 -0.056 0.000 1.059 312 D HN 0.575 nan 8.370 nan 0.000 0.486 313 F N 0.822 120.746 119.950 -0.043 0.000 2.333 313 F HA -0.128 4.399 4.527 0.000 0.000 0.300 313 F C 1.749 177.492 175.800 -0.094 0.000 1.083 313 F CA 0.860 58.820 58.000 -0.068 0.000 1.395 313 F CB -0.374 38.591 39.000 -0.059 0.000 1.056 313 F HN -0.172 nan 8.300 nan 0.000 0.529 314 Q N 0.413 119.652 119.800 -0.934 0.000 2.437 314 Q HA -0.092 4.248 4.340 0.000 0.000 0.210 314 Q C 1.672 177.491 176.000 -0.302 0.000 0.972 314 Q CA 0.959 56.348 55.803 -0.690 0.000 0.903 314 Q CB -0.417 27.895 28.738 -0.711 0.000 0.967 314 Q HN 0.505 nan 8.270 nan 0.000 0.486 315 Q N -0.203 119.467 119.800 -0.217 0.000 2.425 315 Q HA 0.102 4.442 4.340 0.000 0.000 0.204 315 Q C 0.354 176.308 176.000 -0.076 0.000 0.933 315 Q CA 0.478 56.204 55.803 -0.129 0.000 0.939 315 Q CB 0.646 29.322 28.738 -0.103 0.000 1.044 315 Q HN 0.325 nan 8.270 nan 0.000 0.513 316 R N 0.230 120.695 120.500 -0.059 0.000 2.816 316 R HA 0.337 4.677 4.340 0.000 0.000 0.382 316 R C 0.826 177.119 176.300 -0.013 0.000 1.140 316 R CA -0.057 56.032 56.100 -0.019 0.000 1.050 316 R CB 0.415 30.718 30.300 0.005 0.000 1.396 316 R HN 0.044 nan 8.270 nan 0.000 0.583 317 L N 0.176 121.381 121.223 -0.030 0.000 2.616 317 L HA 0.192 4.532 4.340 0.000 0.000 0.229 317 L C 0.333 177.194 176.870 -0.015 0.000 1.110 317 L CA 0.103 54.923 54.840 -0.033 0.000 0.884 317 L CB 0.818 42.855 42.059 -0.037 0.000 1.115 317 L HN -0.013 nan 8.230 nan 0.000 0.481 318 V N 2.014 121.929 119.914 0.001 0.000 2.479 318 V HA 0.097 4.217 4.120 0.000 0.000 0.281 318 V C -1.830 174.313 176.094 0.083 0.000 1.031 318 V CA -1.240 61.078 62.300 0.030 0.000 1.038 318 V CB 0.229 32.062 31.823 0.016 0.000 0.981 318 V HN 0.045 nan 8.190 nan 0.000 0.478 319 P HA 0.217 nan 4.420 nan 0.000 0.267 319 P C -0.426 176.963 177.300 0.148 0.000 1.201 319 P CA 0.102 63.331 63.100 0.214 0.000 0.775 319 P CB 0.497 32.394 31.700 0.328 0.000 0.854 320 R N 1.584 122.164 120.500 0.133 0.000 2.807 320 R HA 0.599 4.939 4.340 0.000 0.000 0.276 320 R C -0.073 176.271 176.300 0.073 0.000 0.979 320 R CA -0.759 55.396 56.100 0.091 0.000 0.928 320 R CB 1.526 31.874 30.300 0.081 0.000 1.191 320 R HN 0.387 nan 8.270 nan 0.000 0.471 321 L N 1.448 122.707 121.223 0.059 0.000 3.510 321 L HA 0.168 4.508 4.340 0.000 0.000 0.324 321 L C -0.639 176.276 176.870 0.074 0.000 1.307 321 L CA -0.227 54.644 54.840 0.051 0.000 1.011 321 L CB 0.444 42.521 42.059 0.029 0.000 1.422 321 L HN 0.743 nan 8.230 nan 0.000 0.617 322 D N -2.780 117.661 120.400 0.069 0.000 2.371 322 D HA -0.008 4.632 4.640 0.000 0.000 0.242 322 D C 1.151 177.550 176.300 0.165 0.000 1.218 322 D CA -0.207 53.832 54.000 0.065 0.000 0.945 322 D CB 0.577 41.390 40.800 0.021 0.000 1.137 322 D HN 0.095 nan 8.370 nan 0.000 0.464 323 H N -0.779 118.307 119.070 0.027 0.000 2.422 323 H HA -0.132 4.424 4.556 0.000 0.000 0.298 323 H C 0.869 176.217 175.328 0.033 0.000 1.098 323 H CA 1.027 57.092 56.048 0.029 0.000 1.315 323 H CB 0.227 30.004 29.762 0.025 0.000 1.382 323 H HN 0.473 nan 8.280 nan 0.000 0.523 324 D N 0.526 121.020 120.400 0.156 0.000 2.144 324 D HA -0.078 4.562 4.640 0.000 0.000 0.200 324 D C 2.329 178.682 176.300 0.088 0.000 0.978 324 D CA 0.963 55.023 54.000 0.100 0.000 0.833 324 D CB -0.200 40.643 40.800 0.072 0.000 0.961 324 D HN 0.382 nan 8.370 nan 0.000 0.470 325 A N 0.882 123.756 122.820 0.091 0.000 1.898 325 A HA -0.087 4.233 4.320 0.000 0.000 0.216 325 A C 2.390 180.029 177.584 0.091 0.000 1.181 325 A CA 0.744 52.833 52.037 0.087 0.000 0.620 325 A CB -0.726 18.325 19.000 0.084 0.000 0.819 325 A HN 0.167 nan 8.150 nan 0.000 0.442 326 L N -0.813 120.467 121.223 0.095 0.000 2.141 326 L HA -0.167 4.173 4.340 0.000 0.000 0.209 326 L C 3.025 179.942 176.870 0.078 0.000 1.094 326 L CA 0.909 55.800 54.840 0.086 0.000 0.763 326 L CB -0.426 41.679 42.059 0.077 0.000 0.908 326 L HN 0.443 nan 8.230 nan 0.000 0.437 327 A N -0.199 122.664 122.820 0.071 0.000 1.969 327 A HA -0.192 4.128 4.320 0.000 0.000 0.218 327 A C 2.171 179.797 177.584 0.069 0.000 1.169 327 A CA 1.345 53.418 52.037 0.060 0.000 0.635 327 A CB -0.492 18.541 19.000 0.054 0.000 0.810 327 A HN 0.325 nan 8.150 nan 0.000 0.445 328 L N -0.788 120.481 121.223 0.077 0.000 2.056 328 L HA -0.056 4.284 4.340 0.000 0.000 0.207 328 L C 2.178 179.112 176.870 0.107 0.000 1.078 328 L CA 1.867 56.755 54.840 0.079 0.000 0.749 328 L CB -0.590 41.517 42.059 0.079 0.000 0.901 328 L HN 0.329 nan 8.230 nan 0.000 0.433 329 L N -0.284 121.014 121.223 0.124 0.000 2.046 329 L HA -0.168 4.173 4.340 0.000 0.000 0.208 329 L C 2.435 179.395 176.870 0.151 0.000 1.077 329 L CA 1.965 56.901 54.840 0.159 0.000 0.747 329 L CB -0.819 41.339 42.059 0.165 0.000 0.896 329 L HN 0.437 nan 8.230 nan 0.000 0.432 330 E N -0.206 120.065 120.200 0.118 0.000 2.110 330 E HA -0.259 4.092 4.350 0.000 0.000 0.193 330 E C 2.434 179.095 176.600 0.102 0.000 0.988 330 E CA 1.338 57.798 56.400 0.100 0.000 0.804 330 E CB -0.226 29.517 29.700 0.071 0.000 0.745 330 E HN 0.447 nan 8.360 nan 0.000 0.458 331 R N -0.675 119.884 120.500 0.098 0.000 2.091 331 R HA -0.122 4.218 4.340 0.000 0.000 0.238 331 R C 1.999 178.385 176.300 0.142 0.000 1.136 331 R CA 2.008 58.169 56.100 0.101 0.000 0.959 331 R CB -0.453 29.891 30.300 0.073 0.000 0.856 331 R HN 0.204 nan 8.270 nan 0.000 0.437 332 T N 0.533 115.184 114.554 0.161 0.000 2.746 332 T HA -0.211 4.139 4.350 0.000 0.000 0.267 332 T C 1.681 176.516 174.700 0.225 0.000 1.039 332 T CA 1.545 63.779 62.100 0.224 0.000 1.142 332 T CB -0.211 68.833 68.868 0.293 0.000 0.866 332 T HN 0.416 nan 8.240 nan 0.000 0.444 333 Q N 0.451 120.354 119.800 0.171 0.000 2.096 333 Q HA -0.188 4.152 4.340 0.000 0.000 0.204 333 Q C 2.320 178.386 176.000 0.109 0.000 0.982 333 Q CA 1.252 57.131 55.803 0.126 0.000 0.850 333 Q CB -0.055 28.740 28.738 0.095 0.000 0.901 333 Q HN 0.348 nan 8.270 nan 0.000 0.422 334 Q N -0.487 119.381 119.800 0.113 0.000 2.167 334 Q HA -0.148 4.192 4.340 0.000 0.000 0.202 334 Q C 1.784 177.837 176.000 0.088 0.000 0.970 334 Q CA 1.056 56.907 55.803 0.080 0.000 0.855 334 Q CB -0.326 28.457 28.738 0.074 0.000 0.911 334 Q HN 0.452 nan 8.270 nan 0.000 0.438 335 F N 1.049 121.012 119.950 0.022 0.000 2.146 335 F HA -0.153 4.374 4.527 0.000 0.000 0.298 335 F C 1.928 177.717 175.800 -0.019 0.000 1.096 335 F CA 0.961 58.965 58.000 0.007 0.000 1.275 335 F CB -0.083 38.934 39.000 0.028 0.000 1.008 335 F HN -0.032 nan 8.300 nan 0.000 0.480 336 L N -0.365 120.948 121.223 0.151 0.000 2.046 336 L HA -0.236 4.104 4.340 0.000 0.000 0.208 336 L C 2.446 179.272 176.870 -0.074 0.000 1.077 336 L CA 1.207 56.066 54.840 0.032 0.000 0.747 336 L CB -0.870 41.231 42.059 0.071 0.000 0.896 336 L HN 0.217 nan 8.230 nan 0.000 0.432 337 L N -0.819 120.376 121.223 -0.046 0.000 2.017 337 L HA -0.190 4.150 4.340 0.000 0.000 0.208 337 L C 2.665 179.469 176.870 -0.109 0.000 1.073 337 L CA 1.542 56.346 54.840 -0.060 0.000 0.745 337 L CB -0.846 41.195 42.059 -0.030 0.000 0.894 337 L HN 0.216 nan 8.230 nan 0.000 0.432 338 T N -0.440 114.026 114.554 -0.146 0.000 2.759 338 T HA -0.149 4.201 4.350 0.000 0.000 0.269 338 T C 1.408 175.962 174.700 -0.243 0.000 1.042 338 T CA 1.271 63.261 62.100 -0.184 0.000 1.140 338 T CB -0.234 68.508 68.868 -0.210 0.000 0.864 338 T HN 0.303 nan 8.240 nan 0.000 0.455 339 N N 1.507 119.998 118.700 -0.349 0.000 2.362 339 N HA 0.054 4.794 4.740 0.000 0.000 0.204 339 N C 0.234 175.591 175.510 -0.255 0.000 1.166 339 N CA 0.007 52.846 53.050 -0.352 0.000 0.831 339 N CB 0.082 38.244 38.487 -0.541 0.000 1.008 339 N HN 0.214 nan 8.380 nan 0.000 0.472 340 N N 0.299 118.889 118.700 -0.184 0.000 2.741 340 N HA -0.172 4.568 4.740 0.000 0.000 0.251 340 N C 0.633 176.058 175.510 -0.141 0.000 1.112 340 N CA 0.339 53.310 53.050 -0.130 0.000 0.750 340 N CB -1.328 37.088 38.487 -0.118 0.000 1.119 340 N HN 0.347 nan 8.380 nan 0.000 0.561 341 L N -0.961 120.158 121.223 -0.174 0.000 2.375 341 L HA 0.188 4.528 4.340 0.000 0.000 0.215 341 L C 0.987 177.911 176.870 0.091 0.000 1.108 341 L CA 0.778 55.524 54.840 -0.155 0.000 0.830 341 L CB 0.129 42.073 42.059 -0.192 0.000 0.959 341 L HN 0.092 nan 8.230 nan 0.000 0.457 342 L N -0.954 120.283 121.223 0.023 0.000 2.388 342 L HA 0.287 4.627 4.340 0.000 0.000 0.264 342 L C 0.184 177.057 176.870 0.005 0.000 0.998 342 L CA -0.534 54.322 54.840 0.026 0.000 0.817 342 L CB 2.301 44.361 42.059 0.001 0.000 1.338 342 L HN -0.097 nan 8.230 nan 0.000 0.414 343 Q N 0.143 119.945 119.800 0.003 0.000 2.442 343 Q HA 0.266 4.606 4.340 0.000 0.000 0.228 343 Q C -0.419 175.572 176.000 -0.016 0.000 0.902 343 Q CA 0.577 56.376 55.803 -0.006 0.000 0.933 343 Q CB 1.158 29.896 28.738 -0.000 0.000 1.071 343 Q HN 0.430 nan 8.270 nan 0.000 0.562 344 E N 1.333 121.521 120.200 -0.020 0.000 2.272 344 E HA 0.385 4.735 4.350 0.000 0.000 0.269 344 E C -2.433 174.146 176.600 -0.034 0.000 0.877 344 E CA -1.993 54.392 56.400 -0.025 0.000 0.755 344 E CB 2.525 32.209 29.700 -0.027 0.000 1.192 344 E HN -0.019 nan 8.360 nan 0.000 0.422 345 P HA 0.166 nan 4.420 nan 0.000 0.274 345 P C -0.100 177.166 177.300 -0.057 0.000 1.237 345 P CA -0.447 62.633 63.100 -0.034 0.000 0.793 345 P CB 0.860 32.553 31.700 -0.012 0.000 0.977 346 V N 1.567 121.431 119.914 -0.083 0.000 2.583 346 V HA 0.272 4.392 4.120 0.000 0.000 0.287 346 V C 0.995 177.065 176.094 -0.040 0.000 1.051 346 V CA -0.389 61.830 62.300 -0.136 0.000 1.010 346 V CB 0.654 32.300 31.823 -0.295 0.000 0.988 346 V HN 0.727 nan 8.190 nan 0.000 0.478 347 A N 5.651 128.460 122.820 -0.018 0.000 2.539 347 A HA 0.407 4.727 4.320 0.000 0.000 0.306 347 A C 1.129 178.781 177.584 0.114 0.000 1.392 347 A CA -0.299 51.760 52.037 0.037 0.000 1.060 347 A CB -0.301 18.716 19.000 0.027 0.000 1.134 347 A HN 0.920 nan 8.150 nan 0.000 0.542 348 L N 1.524 122.834 121.223 0.145 0.000 2.081 348 L HA -0.219 4.121 4.340 0.000 0.000 0.212 348 L C 2.372 179.351 176.870 0.182 0.000 1.080 348 L CA 1.804 56.786 54.840 0.238 0.000 0.754 348 L CB -0.553 41.619 42.059 0.188 0.000 0.893 348 L HN 0.847 nan 8.230 nan 0.000 0.433 349 D N -0.378 120.086 120.400 0.106 0.000 2.219 349 D HA -0.227 4.413 4.640 0.000 0.000 0.205 349 D C 1.857 178.208 176.300 0.085 0.000 0.970 349 D CA 1.148 55.193 54.000 0.075 0.000 0.851 349 D CB -0.173 40.653 40.800 0.042 0.000 0.943 349 D HN 0.474 nan 8.370 nan 0.000 0.488 350 Q N -1.127 118.738 119.800 0.109 0.000 2.163 350 Q HA -0.014 4.326 4.340 0.000 0.000 0.198 350 Q C 1.785 177.893 176.000 0.180 0.000 0.954 350 Q CA 0.562 56.430 55.803 0.108 0.000 0.851 350 Q CB -0.159 28.628 28.738 0.083 0.000 0.928 350 Q HN 0.313 nan 8.270 nan 0.000 0.459 351 W N 1.801 123.094 121.300 -0.011 0.000 2.381 351 W HA 0.089 4.749 4.660 0.000 0.000 0.301 351 W C 0.447 176.954 176.519 -0.019 0.000 1.205 351 W CA 0.745 58.078 57.345 -0.020 0.000 1.285 351 W CB -0.502 28.942 29.460 -0.027 0.000 1.133 351 W HN -0.056 nan 8.180 nan 0.000 0.521 352 A N 0.761 123.602 122.820 0.035 0.000 2.498 352 A HA 0.454 4.774 4.320 0.000 0.000 0.239 352 A C 0.044 177.600 177.584 -0.047 0.000 1.068 352 A CA 0.386 52.354 52.037 -0.115 0.000 0.766 352 A CB -0.047 18.917 19.000 -0.060 0.000 1.003 352 A HN 0.617 nan 8.150 nan 0.000 0.497 353 A N 4.070 126.854 122.820 -0.059 0.000 3.064 353 A HA 0.599 4.920 4.320 0.000 0.000 0.339 353 A C -1.367 176.228 177.584 0.018 0.000 1.078 353 A CA -1.082 50.968 52.037 0.022 0.000 0.869 353 A CB 0.329 19.419 19.000 0.150 0.000 1.067 353 A HN 0.620 nan 8.150 nan 0.000 0.480 354 P HA -0.214 nan 4.420 nan 0.000 0.225 354 P C 1.121 178.376 177.300 -0.075 0.000 1.148 354 P CA 1.215 64.297 63.100 -0.031 0.000 0.779 354 P CB 0.277 31.966 31.700 -0.019 0.000 0.780 355 E N 0.295 120.380 120.200 -0.191 0.000 2.118 355 E HA -0.208 4.142 4.350 0.000 0.000 0.195 355 E C 1.784 178.187 176.600 -0.327 0.000 0.992 355 E CA 1.196 57.408 56.400 -0.313 0.000 0.804 355 E CB -1.428 27.982 29.700 -0.483 0.000 0.741 355 E HN 0.230 nan 8.360 nan 0.000 0.458 356 F N 1.122 121.034 119.950 -0.064 0.000 2.084 356 F HA -0.079 4.448 4.527 0.000 0.000 0.296 356 F C 2.526 178.305 175.800 -0.036 0.000 1.111 356 F CA 1.037 58.998 58.000 -0.065 0.000 1.224 356 F CB -0.837 38.092 39.000 -0.117 0.000 0.991 356 F HN 0.044 nan 8.300 nan 0.000 0.471 357 L N 0.534 121.842 121.223 0.141 0.000 2.083 357 L HA -0.171 4.169 4.340 0.000 0.000 0.209 357 L C 2.032 178.941 176.870 0.066 0.000 1.083 357 L CA 1.700 56.603 54.840 0.104 0.000 0.752 357 L CB -0.973 41.137 42.059 0.086 0.000 0.899 357 L HN 0.024 nan 8.230 nan 0.000 0.433 358 N N 0.128 118.842 118.700 0.023 0.000 2.084 358 N HA -0.172 4.568 4.740 0.000 0.000 0.190 358 N C 1.561 177.074 175.510 0.005 0.000 1.030 358 N CA 1.473 54.525 53.050 0.004 0.000 0.849 358 N CB -0.570 37.901 38.487 -0.027 0.000 1.012 358 N HN 0.430 nan 8.380 nan 0.000 0.423 359 N N 0.580 119.274 118.700 -0.009 0.000 2.166 359 N HA -0.092 4.648 4.740 0.000 0.000 0.186 359 N C 1.792 177.315 175.510 0.021 0.000 1.019 359 N CA 0.647 53.693 53.050 -0.007 0.000 0.856 359 N CB -0.550 37.927 38.487 -0.016 0.000 0.993 359 N HN 0.130 nan 8.380 nan 0.000 0.426 360 S N 0.658 116.393 115.700 0.058 0.000 2.356 360 S HA 0.067 4.537 4.470 0.000 0.000 0.223 360 S C 1.947 176.601 174.600 0.091 0.000 1.032 360 S CA 0.629 58.878 58.200 0.082 0.000 1.005 360 S CB -0.148 63.129 63.200 0.128 0.000 0.867 360 S HN 0.215 nan 8.310 nan 0.000 0.449 361 L N 1.546 122.828 121.223 0.097 0.000 2.201 361 L HA -0.019 4.321 4.340 0.000 0.000 0.212 361 L C 1.972 178.885 176.870 0.073 0.000 1.105 361 L CA 0.624 55.534 54.840 0.116 0.000 0.775 361 L CB -0.607 41.504 42.059 0.086 0.000 0.913 361 L HN 0.284 nan 8.230 nan 0.000 0.440 362 N N 0.521 119.238 118.700 0.027 0.000 2.453 362 N HA -0.108 4.632 4.740 0.000 0.000 0.183 362 N C 1.831 177.324 175.510 -0.028 0.000 1.041 362 N CA 0.790 53.841 53.050 0.003 0.000 0.900 362 N CB -0.049 38.433 38.487 -0.009 0.000 0.961 362 N HN 0.407 nan 8.380 nan 0.000 0.443 363 R N -0.287 120.164 120.500 -0.082 0.000 2.073 363 R HA 0.025 4.365 4.340 0.000 0.000 0.229 363 R C 0.657 176.808 176.300 -0.247 0.000 1.120 363 R CA 0.789 56.766 56.100 -0.205 0.000 0.967 363 R CB -0.069 30.018 30.300 -0.355 0.000 0.862 363 R HN 0.355 nan 8.270 nan 0.000 0.436 364 H N 0.000 119.087 119.070 0.028 0.000 2.539 364 H HA 0.000 4.556 4.556 0.000 0.000 0.296 364 H CA 0.000 56.065 56.048 0.028 0.000 1.023 364 H CB 0.000 29.781 29.762 0.032 0.000 1.292 364 H HN 0.000 nan 8.280 nan 0.000 0.496