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 1sid_1_C DATA FIRST_RESID 17 DATA SEQUENCE KACPRPAPVP KLLIKGGMEV LDLVTGPDSV TEIEAFLNPR MGQPPTPESL DATA SEQUENCE TEGGQYYGWS RGINLATSDT EDSPGNNTLP TWSMAKLQLP MLNEDLTCDT DATA SEQUENCE LQMWEAVSVK TEVVGSGSLL DVHGFNKPTD TVNTKGISTP VEGSQYHVFA DATA SEQUENCE VGGEPLDLQG LVTDARTKYK EEGVVTIKTI TKKDMVNKDQ VLNPISKAKL DATA SEQUENCE DKDGMYPVEI WHPDPAKNEN TRYFGNYTGG TTTPPVLQFT NTLTTVLLDE DATA SEQUENCE NGVGPLCKGE GLYLSCVDIM GWRVTRNYDV HHWRGLPRYF KITLRKRWVK DATA SEQUENCE NPYPMASLIS SLFNNMLPQV QGQPMEGENT QVEEVRVYDG TEPVPGDPDM DATA SEQUENCE TRYVDRF 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 17 K HA 0.000 nan 4.320 nan 0.000 0.191 17 K C 0.000 176.601 176.600 0.002 0.000 0.988 17 K CA 0.000 56.288 56.287 0.002 0.000 0.838 17 K CB 0.000 32.501 32.500 0.002 0.000 1.064 18 A N 1.254 124.076 122.820 0.002 0.000 2.384 18 A HA 0.829 5.149 4.320 -0.000 0.000 0.312 18 A C -0.679 176.907 177.584 0.002 0.000 1.113 18 A CA -0.723 51.316 52.037 0.002 0.000 0.779 18 A CB 1.297 20.298 19.000 0.002 0.000 1.307 18 A HN 0.794 nan 8.150 nan 0.000 0.436 19 C N 0.360 119.661 119.300 0.002 0.000 2.423 19 C HA 0.761 5.221 4.460 -0.000 0.000 0.378 19 C C -1.924 173.067 174.990 0.002 0.000 1.244 19 C CA -0.624 58.395 59.018 0.002 0.000 1.978 19 C CB 0.437 28.179 27.740 0.003 0.000 2.252 19 C HN 0.815 nan 8.230 nan 0.000 0.526 20 P HA 0.456 nan 4.420 nan 0.000 0.277 20 P C -0.789 176.513 177.300 0.003 0.000 1.240 20 P CA -0.355 62.746 63.100 0.002 0.000 0.798 20 P CB 0.417 32.118 31.700 0.002 0.000 0.979 21 R N 2.112 122.614 120.500 0.003 0.000 2.352 21 R HA 0.344 4.684 4.340 -0.000 0.000 0.304 21 R C -2.300 174.003 176.300 0.004 0.000 1.104 21 R CA -1.634 54.468 56.100 0.004 0.000 0.991 21 R CB 0.319 30.621 30.300 0.004 0.000 1.140 21 R HN 0.409 nan 8.270 nan 0.000 0.540 22 P HA 0.002 nan 4.420 nan 0.000 0.263 22 P C -0.687 176.616 177.300 0.005 0.000 1.195 22 P CA 0.033 63.135 63.100 0.004 0.000 0.762 22 P CB 0.849 32.551 31.700 0.004 0.000 0.799 23 A N 6.186 129.008 122.820 0.004 0.000 2.587 23 A HA 0.179 4.499 4.320 -0.000 0.000 0.235 23 A C -1.540 176.048 177.584 0.006 0.000 1.044 23 A CA -0.657 51.383 52.037 0.005 0.000 0.754 23 A CB -1.006 17.997 19.000 0.005 0.000 0.968 23 A HN 0.462 nan 8.150 nan 0.000 0.509 24 P HA 0.453 nan 4.420 nan 0.000 0.275 24 P C -0.753 176.552 177.300 0.009 0.000 1.228 24 P CA -0.116 62.990 63.100 0.009 0.000 0.786 24 P CB 1.111 32.817 31.700 0.009 0.000 0.927 25 V N 2.461 122.381 119.914 0.010 0.000 3.159 25 V HA 0.411 4.531 4.120 -0.000 0.000 0.308 25 V C -2.160 173.941 176.094 0.013 0.000 1.190 25 V CA -1.561 60.745 62.300 0.011 0.000 1.037 25 V CB 1.691 33.520 31.823 0.009 0.000 1.060 25 V HN 0.631 nan 8.190 nan 0.000 0.437 26 P HA 0.259 nan 4.420 nan 0.000 0.271 26 P C -1.158 176.151 177.300 0.015 0.000 1.216 26 P CA -0.412 62.698 63.100 0.016 0.000 0.776 26 P CB 0.690 32.401 31.700 0.017 0.000 0.881 27 K N 3.350 123.760 120.400 0.016 0.000 2.201 27 K HA 0.376 4.696 4.320 -0.000 0.000 0.278 27 K C -0.308 176.302 176.600 0.016 0.000 1.027 27 K CA -0.887 55.409 56.287 0.015 0.000 0.909 27 K CB 1.030 33.539 32.500 0.014 0.000 1.062 27 K HN 0.431 nan 8.250 nan 0.000 0.465 28 L N 4.594 125.826 121.223 0.014 0.000 2.426 28 L HA 0.060 4.400 4.340 -0.000 0.000 0.271 28 L C 0.341 177.220 176.870 0.015 0.000 1.169 28 L CA -0.154 54.695 54.840 0.014 0.000 0.836 28 L CB 0.599 42.665 42.059 0.012 0.000 1.112 28 L HN 0.901 nan 8.230 nan 0.000 0.465 29 L N 5.555 126.788 121.223 0.017 0.000 2.349 29 L HA 0.404 4.744 4.340 -0.000 0.000 0.200 29 L C 0.199 177.079 176.870 0.016 0.000 1.064 29 L CA 0.348 55.199 54.840 0.018 0.000 0.821 29 L CB 0.512 42.585 42.059 0.023 0.000 1.027 29 L HN 0.589 nan 8.230 nan 0.000 0.476 30 I N -0.868 119.711 120.570 0.015 0.000 2.771 30 I HA 0.210 4.380 4.170 -0.000 0.000 0.291 30 I C -1.706 174.417 176.117 0.009 0.000 1.527 30 I CA -0.677 60.630 61.300 0.012 0.000 1.024 30 I CB 1.785 39.793 38.000 0.013 0.000 1.388 30 I HN -0.097 nan 8.210 nan 0.000 0.447 31 K N 5.550 125.955 120.400 0.008 0.000 2.328 31 K HA 0.955 5.275 4.320 -0.000 0.000 0.246 31 K C -0.467 176.137 176.600 0.007 0.000 0.955 31 K CA 0.241 56.532 56.287 0.007 0.000 0.817 31 K CB 2.247 34.752 32.500 0.010 0.000 1.208 31 K HN 1.032 nan 8.250 nan 0.000 0.432 32 G N 0.818 109.621 108.800 0.006 0.000 2.334 32 G HA2 0.256 4.216 3.960 -0.000 0.000 0.249 32 G HA3 0.256 4.216 3.960 -0.000 0.000 0.249 32 G C -0.513 174.388 174.900 0.001 0.000 1.327 32 G CA -0.493 44.611 45.100 0.006 0.000 0.979 32 G HN 0.873 nan 8.290 nan 0.000 0.471 33 G N -1.444 107.355 108.800 -0.001 0.000 2.531 33 G HA2 0.501 4.461 3.960 -0.000 0.000 0.281 33 G HA3 0.501 4.461 3.960 -0.000 0.000 0.281 33 G C 1.240 176.127 174.900 -0.022 0.000 1.382 33 G CA 0.139 45.233 45.100 -0.009 0.000 1.045 33 G HN 0.462 nan 8.290 nan 0.000 0.533 34 M N 0.807 120.388 119.600 -0.032 0.000 2.260 34 M HA -0.094 4.386 4.480 -0.000 0.000 0.261 34 M C 2.525 178.809 176.300 -0.028 0.000 1.066 34 M CA 1.226 56.499 55.300 -0.044 0.000 1.082 34 M CB -0.973 31.594 32.600 -0.055 0.000 1.388 34 M HN 0.802 nan 8.290 nan 0.000 0.419 35 E N -0.075 120.116 120.200 -0.016 0.000 2.110 35 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 35 E C 1.935 178.536 176.600 0.001 0.000 0.988 35 E CA 1.337 57.734 56.400 -0.005 0.000 0.804 35 E CB -1.205 28.494 29.700 -0.002 0.000 0.745 35 E HN 0.326 nan 8.360 nan 0.000 0.458 36 V N 1.380 121.292 119.914 -0.003 0.000 2.527 36 V HA -0.262 3.858 4.120 -0.000 0.000 0.255 36 V C 2.541 178.642 176.094 0.013 0.000 1.081 36 V CA 1.462 63.764 62.300 0.004 0.000 1.092 36 V CB -0.668 31.153 31.823 -0.003 0.000 0.673 36 V HN 0.188 nan 8.190 nan 0.000 0.470 37 L N 0.154 121.382 121.223 0.007 0.000 2.012 37 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 37 L C 2.093 179.007 176.870 0.072 0.000 1.073 37 L CA 1.956 56.817 54.840 0.035 0.000 0.748 37 L CB -1.328 40.737 42.059 0.010 0.000 0.891 37 L HN 0.355 nan 8.230 nan 0.000 0.431 38 D N -0.646 119.782 120.400 0.048 0.000 2.357 38 D HA -0.125 4.515 4.640 -0.000 0.000 0.216 38 D C 0.924 177.250 176.300 0.043 0.000 0.973 38 D CA 0.349 54.377 54.000 0.046 0.000 0.912 38 D CB -0.282 40.535 40.800 0.028 0.000 0.900 38 D HN 0.073 nan 8.370 nan 0.000 0.501 39 L N 0.665 121.914 121.223 0.044 0.000 2.461 39 L HA 0.033 4.373 4.340 -0.000 0.000 0.272 39 L C -0.187 176.711 176.870 0.047 0.000 1.197 39 L CA -0.233 54.630 54.840 0.038 0.000 0.836 39 L CB 0.957 43.037 42.059 0.035 0.000 1.105 39 L HN -0.236 nan 8.230 nan 0.000 0.477 40 V N 5.543 125.476 119.914 0.032 0.000 2.359 40 V HA 0.038 4.158 4.120 -0.000 0.000 0.248 40 V C 1.512 177.623 176.094 0.029 0.000 1.091 40 V CA 0.554 62.869 62.300 0.024 0.000 1.103 40 V CB -0.799 31.033 31.823 0.016 0.000 1.176 40 V HN 1.081 nan 8.190 nan 0.000 0.488 41 T N 1.775 116.353 114.554 0.040 0.000 2.622 41 T HA 0.186 4.536 4.350 -0.000 0.000 0.266 41 T C 1.241 175.957 174.700 0.026 0.000 1.047 41 T CA 1.076 63.208 62.100 0.052 0.000 1.159 41 T CB -0.206 68.727 68.868 0.108 0.000 0.863 41 T HN 1.353 nan 8.240 nan 0.000 0.422 42 G N 1.866 110.665 108.800 -0.000 0.000 2.348 42 G HA2 0.097 4.057 3.960 -0.000 0.000 0.199 42 G HA3 0.097 4.057 3.960 -0.000 0.000 0.199 42 G C -2.262 172.623 174.900 -0.026 0.000 1.235 42 G CA 0.037 45.138 45.100 0.001 0.000 1.264 42 G HN 0.467 nan 8.290 nan 0.000 0.543 43 P HA 0.280 nan 4.420 nan 0.000 0.330 43 P C -0.083 177.198 177.300 -0.031 0.000 1.107 43 P CA 0.840 63.916 63.100 -0.040 0.000 1.224 43 P CB 1.400 33.123 31.700 0.039 0.000 1.303 44 D N 0.341 120.750 120.400 0.015 0.000 2.424 44 D HA 0.103 4.743 4.640 -0.000 0.000 0.220 44 D C -0.141 176.186 176.300 0.044 0.000 1.150 44 D CA 0.192 54.210 54.000 0.030 0.000 0.831 44 D CB 0.266 41.091 40.800 0.040 0.000 0.981 44 D HN 0.064 nan 8.370 nan 0.000 0.500 45 S N 1.243 116.971 115.700 0.047 0.000 2.507 45 S HA 0.147 4.617 4.470 -0.000 0.000 0.299 45 S C 0.650 175.318 174.600 0.113 0.000 1.214 45 S CA -0.426 57.817 58.200 0.072 0.000 1.137 45 S CB 0.883 64.128 63.200 0.076 0.000 1.009 45 S HN -0.013 nan 8.310 nan 0.000 0.512 46 V N 3.965 123.928 119.914 0.082 0.000 2.583 46 V HA 0.377 4.497 4.120 -0.000 0.000 0.287 46 V C 0.583 176.703 176.094 0.044 0.000 1.051 46 V CA -0.494 61.850 62.300 0.073 0.000 1.010 46 V CB 1.043 32.893 31.823 0.045 0.000 0.988 46 V HN 0.836 nan 8.190 nan 0.000 0.478 47 T N 4.232 118.788 114.554 0.003 0.000 2.824 47 T HA 0.465 4.815 4.350 -0.000 0.000 0.282 47 T C -0.538 174.105 174.700 -0.096 0.000 0.993 47 T CA -0.571 61.484 62.100 -0.075 0.000 0.967 47 T CB 1.330 70.071 68.868 -0.211 0.000 0.960 47 T HN 0.762 nan 8.240 nan 0.000 0.441 48 E N 2.745 122.900 120.200 -0.075 0.000 2.155 48 E HA 0.476 4.826 4.350 -0.000 0.000 0.264 48 E C -0.715 175.835 176.600 -0.084 0.000 0.886 48 E CA -0.484 55.877 56.400 -0.064 0.000 0.752 48 E CB 1.617 31.303 29.700 -0.023 0.000 1.133 48 E HN 0.516 nan 8.360 nan 0.000 0.414 49 I N 2.258 122.761 120.570 -0.112 0.000 2.433 49 I HA 0.313 4.483 4.170 -0.000 0.000 0.292 49 I C -0.293 175.748 176.117 -0.127 0.000 1.001 49 I CA -0.674 60.552 61.300 -0.123 0.000 1.119 49 I CB 1.791 39.688 38.000 -0.172 0.000 1.289 49 I HN 0.352 nan 8.210 nan 0.000 0.438 50 E N 5.028 125.164 120.200 -0.107 0.000 2.218 50 E HA 0.765 5.115 4.350 -0.000 0.000 0.263 50 E C -0.972 175.573 176.600 -0.091 0.000 0.879 50 E CA -0.556 55.744 56.400 -0.166 0.000 0.762 50 E CB 2.535 32.209 29.700 -0.045 0.000 1.166 50 E HN 0.733 nan 8.360 nan 0.000 0.415 51 A N 2.535 125.277 122.820 -0.130 0.000 2.524 51 A HA 0.904 5.224 4.320 -0.000 0.000 0.289 51 A C -1.541 176.141 177.584 0.163 0.000 1.248 51 A CA -0.720 51.299 52.037 -0.030 0.000 0.712 51 A CB 0.963 19.843 19.000 -0.200 0.000 1.312 51 A HN 0.544 nan 8.150 nan 0.000 0.441 52 F N -2.588 117.430 119.950 0.112 0.000 2.715 52 F HA 0.890 5.417 4.527 -0.000 0.000 0.318 52 F C -1.940 173.966 175.800 0.176 0.000 1.141 52 F CA -1.399 56.749 58.000 0.247 0.000 0.950 52 F CB 0.909 40.040 39.000 0.218 0.000 1.374 52 F HN 0.392 nan 8.300 nan 0.000 0.477 53 L N 1.792 123.318 121.223 0.505 0.000 2.408 53 L HA 0.446 4.786 4.340 -0.000 0.000 0.268 53 L C -1.015 176.100 176.870 0.408 0.000 0.986 53 L CA -1.019 54.001 54.840 0.300 0.000 0.820 53 L CB 1.788 44.009 42.059 0.270 0.000 1.303 53 L HN 0.758 nan 8.230 nan 0.000 0.411 54 N N 4.203 123.095 118.700 0.320 0.000 2.434 54 N HA 0.397 5.137 4.740 -0.000 0.000 0.272 54 N C -2.367 173.195 175.510 0.088 0.000 1.040 54 N CA -1.273 51.901 53.050 0.207 0.000 0.956 54 N CB 1.163 39.789 38.487 0.233 0.000 1.108 54 N HN 0.360 nan 8.380 nan 0.000 0.481 55 P HA 0.003 nan 4.420 nan 0.000 0.262 55 P C -1.109 176.143 177.300 -0.080 0.000 1.199 55 P CA 0.353 63.427 63.100 -0.044 0.000 0.763 55 P CB 0.516 32.153 31.700 -0.104 0.000 0.790 56 R N 4.169 124.659 120.500 -0.017 0.000 2.477 56 R HA 0.416 4.756 4.340 -0.000 0.000 0.285 56 R C -0.163 176.130 176.300 -0.013 0.000 1.415 56 R CA -0.366 55.741 56.100 0.013 0.000 1.446 56 R CB 0.458 30.820 30.300 0.104 0.000 1.110 56 R HN 0.503 nan 8.270 nan 0.000 0.590 57 M N 1.101 120.658 119.600 -0.071 0.000 2.114 57 M HA 0.411 4.891 4.480 -0.000 0.000 0.332 57 M C 0.981 177.258 176.300 -0.039 0.000 1.014 57 M CA -0.321 54.901 55.300 -0.131 0.000 0.956 57 M CB 1.950 34.377 32.600 -0.288 0.000 1.551 57 M HN 0.665 nan 8.290 nan 0.000 0.427 58 G N 2.240 111.038 108.800 -0.003 0.000 3.377 58 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.304 58 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.304 58 G C 0.004 174.974 174.900 0.117 0.000 1.366 58 G CA 0.256 45.394 45.100 0.064 0.000 1.020 58 G HN 0.735 nan 8.290 nan 0.000 0.621 59 Q N 4.575 124.480 119.800 0.174 0.000 2.262 59 Q HA 0.495 4.835 4.340 -0.000 0.000 0.272 59 Q C -1.686 174.495 176.000 0.302 0.000 1.076 59 Q CA -1.043 54.901 55.803 0.234 0.000 0.905 59 Q CB 0.947 29.888 28.738 0.339 0.000 1.182 59 Q HN 0.579 nan 8.270 nan 0.000 0.390 60 P HA 0.169 nan 4.420 nan 0.000 0.278 60 P C -2.379 174.966 177.300 0.075 0.000 1.258 60 P CA -1.409 61.806 63.100 0.191 0.000 0.811 60 P CB 1.154 32.913 31.700 0.098 0.000 1.063 61 P HA -0.270 nan 4.420 nan 0.000 0.202 61 P C 1.239 178.362 177.300 -0.294 0.000 1.171 61 P CA 2.398 65.058 63.100 -0.733 0.000 0.925 61 P CB -1.154 30.151 31.700 -0.658 0.000 0.760 62 T N -2.074 112.376 114.554 -0.174 0.000 3.284 62 T HA -0.223 4.127 4.350 -0.000 0.000 0.166 62 T C -1.651 173.012 174.700 -0.062 0.000 1.697 62 T CA 1.673 63.723 62.100 -0.083 0.000 0.993 62 T CB -3.579 65.269 68.868 -0.034 0.000 0.975 62 T HN 0.224 nan 8.240 nan 0.000 0.495 63 P HA 0.342 nan 4.420 nan 0.000 0.264 63 P C 0.253 177.539 177.300 -0.023 0.000 1.229 63 P CA 0.295 63.391 63.100 -0.006 0.000 0.780 63 P CB 0.268 31.985 31.700 0.029 0.000 0.808 64 E N 0.515 120.698 120.200 -0.028 0.000 2.400 64 E HA 0.004 4.354 4.350 -0.000 0.000 0.195 64 E C 0.479 177.076 176.600 -0.005 0.000 1.012 64 E CA 0.158 56.539 56.400 -0.031 0.000 0.875 64 E CB 0.252 29.932 29.700 -0.034 0.000 0.859 64 E HN 0.306 nan 8.360 nan 0.000 0.498 65 S N 0.897 116.599 115.700 0.003 0.000 2.510 65 S HA 0.091 4.561 4.470 -0.000 0.000 0.279 65 S C 0.869 175.471 174.600 0.003 0.000 1.284 65 S CA -0.387 57.817 58.200 0.006 0.000 1.059 65 S CB 0.294 63.500 63.200 0.010 0.000 0.901 65 S HN 0.209 nan 8.310 nan 0.000 0.491 66 L N 4.614 125.835 121.223 -0.003 0.000 2.762 66 L HA 0.098 4.438 4.340 -0.000 0.000 0.250 66 L C 1.757 178.602 176.870 -0.041 0.000 1.160 66 L CA 0.220 55.044 54.840 -0.027 0.000 0.951 66 L CB -1.698 40.352 42.059 -0.015 0.000 1.148 66 L HN 0.777 nan 8.230 nan 0.000 0.424 67 T N -5.157 109.389 114.554 -0.014 0.000 3.232 67 T HA 0.078 4.428 4.350 -0.000 0.000 0.259 67 T C 1.454 176.169 174.700 0.025 0.000 0.987 67 T CA -0.085 62.015 62.100 -0.000 0.000 1.096 67 T CB 0.143 69.017 68.868 0.010 0.000 1.131 67 T HN 0.208 nan 8.240 nan 0.000 0.445 68 E N 1.422 121.641 120.200 0.031 0.000 2.051 68 E HA 0.146 4.496 4.350 -0.000 0.000 0.189 68 E C 2.232 178.879 176.600 0.078 0.000 0.979 68 E CA 0.895 57.325 56.400 0.049 0.000 0.803 68 E CB -0.339 29.382 29.700 0.035 0.000 0.761 68 E HN 0.621 nan 8.360 nan 0.000 0.451 69 G N -0.218 108.623 108.800 0.068 0.000 2.985 69 G HA2 0.104 4.064 3.960 -0.000 0.000 0.209 69 G HA3 0.104 4.064 3.960 -0.000 0.000 0.209 69 G C 1.203 176.188 174.900 0.141 0.000 1.165 69 G CA 0.291 45.461 45.100 0.116 0.000 0.776 69 G HN 0.402 nan 8.290 nan 0.000 0.541 70 G N -0.399 108.415 108.800 0.024 0.000 2.249 70 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.269 70 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.269 70 G C 0.651 175.215 174.900 -0.560 0.000 0.979 70 G CA 0.843 45.812 45.100 -0.218 0.000 0.644 70 G HN 0.798 nan 8.290 nan 0.000 0.546 71 Q N -2.584 117.062 119.800 -0.256 0.000 2.448 71 Q HA -0.195 4.145 4.340 -0.000 0.000 0.357 71 Q C 0.193 176.106 176.000 -0.146 0.000 1.443 71 Q CA 1.213 56.948 55.803 -0.114 0.000 0.996 71 Q CB -2.077 26.667 28.738 0.010 0.000 1.180 71 Q HN 0.814 nan 8.270 nan 0.000 0.338 72 Y N -1.277 119.164 120.300 0.234 0.000 2.507 72 Y HA 0.136 4.686 4.550 -0.000 0.000 0.254 72 Y C 0.502 176.698 175.900 0.494 0.000 1.171 72 Y CA -0.764 57.519 58.100 0.306 0.000 1.238 72 Y CB 0.394 38.917 38.460 0.106 0.000 1.148 72 Y HN 0.434 nan 8.280 nan 0.000 0.525 73 Y N 2.411 122.920 120.300 0.349 0.000 2.852 73 Y HA 0.259 4.809 4.550 -0.000 0.000 0.343 73 Y C 1.017 177.049 175.900 0.221 0.000 1.280 73 Y CA 0.778 59.022 58.100 0.240 0.000 1.604 73 Y CB -0.321 38.229 38.460 0.149 0.000 1.216 73 Y HN 0.415 nan 8.280 nan 0.000 0.541 74 G N 5.273 114.039 108.800 -0.057 0.000 2.546 74 G HA2 -0.174 3.787 3.960 -0.000 0.000 0.285 74 G HA3 -0.174 3.787 3.960 -0.000 0.000 0.285 74 G C -0.964 173.863 174.900 -0.121 0.000 1.105 74 G CA -0.129 44.798 45.100 -0.288 0.000 1.189 74 G HN 0.684 nan 8.290 nan 0.000 0.534 75 W N -0.742 120.590 121.300 0.055 0.000 3.546 75 W HA 0.353 5.013 4.660 0.000 0.000 0.291 75 W C 0.026 176.613 176.519 0.114 0.000 1.199 75 W CA -0.914 56.517 57.345 0.143 0.000 1.159 75 W CB 0.770 30.380 29.460 0.250 0.000 1.333 75 W HN 0.472 nan 8.180 nan 0.000 0.570 76 S N 2.712 118.686 115.700 0.456 0.000 2.528 76 S HA 0.137 4.607 4.470 -0.000 0.000 0.277 76 S C 1.002 175.721 174.600 0.199 0.000 1.297 76 S CA -0.393 57.988 58.200 0.301 0.000 1.052 76 S CB 1.948 65.468 63.200 0.534 0.000 0.917 76 S HN 0.454 nan 8.310 nan 0.000 0.492 77 R N 3.202 123.719 120.500 0.029 0.000 2.205 77 R HA -0.034 4.306 4.340 -0.000 0.000 0.221 77 R C 1.000 177.026 176.300 -0.457 0.000 1.101 77 R CA 2.023 57.955 56.100 -0.279 0.000 0.869 77 R CB -0.947 29.255 30.300 -0.164 0.000 0.815 77 R HN 0.793 nan 8.270 nan 0.000 0.434 78 G N -1.699 107.030 108.800 -0.118 0.000 2.658 78 G HA2 0.538 4.498 3.960 -0.000 0.000 0.292 78 G HA3 0.538 4.498 3.960 -0.000 0.000 0.292 78 G C -1.305 173.714 174.900 0.197 0.000 1.320 78 G CA -0.644 44.492 45.100 0.061 0.000 0.933 78 G HN 0.195 nan 8.290 nan 0.000 0.476 79 I N 2.268 122.960 120.570 0.204 0.000 2.337 79 I HA 0.192 4.362 4.170 -0.000 0.000 0.285 79 I C 0.030 176.172 176.117 0.043 0.000 1.041 79 I CA -0.801 60.580 61.300 0.134 0.000 1.199 79 I CB 0.700 38.714 38.000 0.023 0.000 1.370 79 I HN 0.488 nan 8.210 nan 0.000 0.470 80 N N 7.120 125.850 118.700 0.050 0.000 2.420 80 N HA 0.072 4.812 4.740 -0.000 0.000 0.262 80 N C -0.657 174.835 175.510 -0.031 0.000 1.144 80 N CA -0.339 52.714 53.050 0.005 0.000 0.952 80 N CB 1.023 39.520 38.487 0.015 0.000 1.081 80 N HN 0.422 nan 8.380 nan 0.000 0.480 81 L N 3.160 124.348 121.223 -0.058 0.000 2.421 81 L HA 0.530 4.870 4.340 -0.000 0.000 0.263 81 L C 0.397 177.224 176.870 -0.071 0.000 1.122 81 L CA -0.236 54.554 54.840 -0.083 0.000 0.804 81 L CB 1.231 43.234 42.059 -0.093 0.000 1.150 81 L HN 0.620 nan 8.230 nan 0.000 0.457 82 A N 1.760 124.534 122.820 -0.077 0.000 2.240 82 A HA 0.474 4.794 4.320 -0.000 0.000 0.292 82 A C 0.919 178.464 177.584 -0.065 0.000 1.121 82 A CA 0.246 52.240 52.037 -0.072 0.000 0.851 82 A CB 0.418 19.370 19.000 -0.079 0.000 1.167 82 A HN 0.842 nan 8.150 nan 0.000 0.503 83 T N -0.247 114.271 114.554 -0.059 0.000 2.755 83 T HA 0.259 4.609 4.350 -0.000 0.000 0.251 83 T C 0.544 175.215 174.700 -0.049 0.000 1.044 83 T CA 1.666 63.735 62.100 -0.051 0.000 1.154 83 T CB -0.129 68.711 68.868 -0.046 0.000 0.866 83 T HN 1.029 nan 8.240 nan 0.000 0.416 84 S N -0.868 114.803 115.700 -0.049 0.000 2.658 84 S HA 0.231 4.701 4.470 -0.000 0.000 0.312 84 S C -0.294 174.280 174.600 -0.044 0.000 1.006 84 S CA 0.121 58.295 58.200 -0.044 0.000 0.855 84 S CB 0.922 64.100 63.200 -0.037 0.000 1.053 84 S HN 0.392 nan 8.310 nan 0.000 0.455 85 D N 2.336 122.711 120.400 -0.043 0.000 4.980 85 D HA -0.297 4.343 4.640 -0.000 0.000 0.418 85 D C 1.464 177.738 176.300 -0.043 0.000 1.658 85 D CA 3.314 57.290 54.000 -0.041 0.000 1.165 85 D CB -0.596 40.184 40.800 -0.033 0.000 0.342 85 D HN 0.651 nan 8.370 nan 0.000 0.991 86 T N -1.194 113.337 114.554 -0.039 0.000 2.857 86 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 86 T C 0.568 175.239 174.700 -0.047 0.000 1.048 86 T CA 1.449 63.526 62.100 -0.038 0.000 1.139 86 T CB -0.123 68.726 68.868 -0.031 0.000 0.874 86 T HN 0.309 nan 8.240 nan 0.000 0.455 87 E N 1.516 121.686 120.200 -0.050 0.000 2.028 87 E HA 0.247 4.597 4.350 -0.000 0.000 0.266 87 E C -1.514 175.043 176.600 -0.071 0.000 0.962 87 E CA -0.467 55.899 56.400 -0.057 0.000 0.784 87 E CB 0.377 30.048 29.700 -0.048 0.000 1.114 87 E HN 0.181 nan 8.360 nan 0.000 0.414 88 D N 3.058 123.402 120.400 -0.093 0.000 2.446 88 D HA 0.161 4.801 4.640 -0.000 0.000 0.251 88 D C -1.455 174.754 176.300 -0.153 0.000 1.137 88 D CA -0.348 53.581 54.000 -0.117 0.000 0.890 88 D CB 1.218 41.938 40.800 -0.134 0.000 1.071 88 D HN 0.219 nan 8.370 nan 0.000 0.528 89 S N 3.731 119.360 115.700 -0.117 0.000 2.475 89 S HA 0.657 5.127 4.470 -0.000 0.000 0.298 89 S C -2.106 172.436 174.600 -0.096 0.000 1.119 89 S CA -1.431 56.699 58.200 -0.116 0.000 1.085 89 S CB 1.670 64.829 63.200 -0.067 0.000 1.028 89 S HN 0.232 nan 8.310 nan 0.000 0.489 90 P HA 0.480 nan 4.420 nan 0.000 0.193 90 P C -0.178 177.145 177.300 0.037 0.000 1.168 90 P CA 0.326 63.422 63.100 -0.006 0.000 0.844 90 P CB 0.124 31.856 31.700 0.053 0.000 0.699 91 G N -0.654 108.190 108.800 0.074 0.000 2.760 91 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.540 91 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.540 91 G C -0.152 174.806 174.900 0.098 0.000 1.476 91 G CA -0.583 44.558 45.100 0.067 0.000 0.949 91 G HN -0.054 nan 8.290 nan 0.000 0.633 92 N N 0.710 119.462 118.700 0.087 0.000 2.443 92 N HA -0.086 4.654 4.740 -0.000 0.000 0.184 92 N C 1.693 177.253 175.510 0.083 0.000 1.037 92 N CA 1.381 54.485 53.050 0.091 0.000 0.896 92 N CB -0.012 38.520 38.487 0.074 0.000 0.959 92 N HN 0.749 nan 8.380 nan 0.000 0.442 93 N N -1.037 117.708 118.700 0.076 0.000 2.230 93 N HA 0.065 4.805 4.740 -0.000 0.000 0.202 93 N C 0.276 175.849 175.510 0.105 0.000 1.119 93 N CA 0.192 53.286 53.050 0.073 0.000 0.851 93 N CB 0.269 38.785 38.487 0.048 0.000 0.990 93 N HN -0.006 nan 8.380 nan 0.000 0.497 94 T N 0.830 115.467 114.554 0.138 0.000 3.100 94 T HA 0.216 4.566 4.350 -0.000 0.000 0.253 94 T C 0.650 175.502 174.700 0.253 0.000 1.118 94 T CA 0.248 62.490 62.100 0.236 0.000 1.058 94 T CB 0.292 69.278 68.868 0.197 0.000 0.953 94 T HN 0.126 nan 8.240 nan 0.000 0.515 95 L N 3.673 124.972 121.223 0.127 0.000 2.280 95 L HA 0.376 4.716 4.340 -0.000 0.000 0.287 95 L C -2.360 174.459 176.870 -0.085 0.000 1.023 95 L CA -2.342 52.531 54.840 0.055 0.000 0.819 95 L CB 1.512 43.639 42.059 0.114 0.000 1.212 95 L HN -0.159 nan 8.230 nan 0.000 0.420 96 P HA 0.191 nan 4.420 nan 0.000 0.287 96 P C -0.881 176.325 177.300 -0.158 0.000 1.294 96 P CA -0.299 62.603 63.100 -0.330 0.000 0.776 96 P CB 1.145 32.443 31.700 -0.670 0.000 0.889 97 T N -0.056 114.455 114.554 -0.072 0.000 2.912 97 T HA 0.371 4.721 4.350 -0.000 0.000 0.288 97 T C -0.433 174.310 174.700 0.071 0.000 1.030 97 T CA -0.823 61.313 62.100 0.060 0.000 1.020 97 T CB 0.701 69.645 68.868 0.127 0.000 1.056 97 T HN 0.206 nan 8.240 nan 0.000 0.480 98 W N 1.997 123.364 121.300 0.112 0.000 2.295 98 W HA 0.351 5.011 4.660 -0.000 0.000 0.335 98 W C 0.408 176.987 176.519 0.100 0.000 1.351 98 W CA 0.347 57.755 57.345 0.106 0.000 1.273 98 W CB 0.310 29.821 29.460 0.085 0.000 1.214 98 W HN 0.607 nan 8.180 nan 0.000 0.563 99 S N 4.741 120.639 115.700 0.330 0.000 2.509 99 S HA 0.804 5.274 4.470 -0.000 0.000 0.297 99 S C -0.281 174.478 174.600 0.264 0.000 1.118 99 S CA -0.866 57.478 58.200 0.240 0.000 1.074 99 S CB 1.474 64.772 63.200 0.163 0.000 1.038 99 S HN 0.416 nan 8.310 nan 0.000 0.498 100 M N 0.857 120.556 119.600 0.166 0.000 3.196 100 M HA 0.920 5.400 4.480 -0.000 0.000 0.279 100 M C -1.826 174.483 176.300 0.016 0.000 1.173 100 M CA -0.854 54.504 55.300 0.098 0.000 0.820 100 M CB 0.603 33.269 32.600 0.109 0.000 1.621 100 M HN 0.857 nan 8.290 nan 0.000 0.521 101 A N 0.203 122.995 122.820 -0.047 0.000 2.567 101 A HA 0.796 5.116 4.320 -0.000 0.000 0.291 101 A C -2.014 175.463 177.584 -0.177 0.000 1.048 101 A CA -0.756 51.218 52.037 -0.105 0.000 0.661 101 A CB 1.345 20.257 19.000 -0.147 0.000 1.288 101 A HN 1.071 nan 8.150 nan 0.000 0.424 102 K N 1.369 121.617 120.400 -0.253 0.000 2.376 102 K HA 0.582 4.902 4.320 -0.000 0.000 0.257 102 K C -1.313 175.085 176.600 -0.337 0.000 0.939 102 K CA -0.703 55.324 56.287 -0.434 0.000 0.809 102 K CB 0.947 33.010 32.500 -0.727 0.000 1.121 102 K HN 0.553 nan 8.250 nan 0.000 0.425 103 L N 3.896 124.923 121.223 -0.326 0.000 2.290 103 L HA 0.216 4.556 4.340 -0.000 0.000 0.284 103 L C -0.037 176.687 176.870 -0.243 0.000 1.078 103 L CA -0.035 54.651 54.840 -0.257 0.000 0.815 103 L CB 0.993 42.903 42.059 -0.248 0.000 1.162 103 L HN 0.725 nan 8.230 nan 0.000 0.435 104 Q N 3.364 123.053 119.800 -0.185 0.000 2.390 104 Q HA 0.400 4.740 4.340 -0.000 0.000 0.249 104 Q C -0.950 174.996 176.000 -0.091 0.000 0.996 104 Q CA -0.243 55.481 55.803 -0.132 0.000 0.899 104 Q CB 0.839 29.517 28.738 -0.101 0.000 1.216 104 Q HN 0.411 nan 8.270 nan 0.000 0.465 105 L N 6.276 127.463 121.223 -0.060 0.000 2.439 105 L HA 0.589 4.929 4.340 -0.000 0.000 0.259 105 L C -1.903 175.085 176.870 0.195 0.000 1.129 105 L CA -1.571 53.265 54.840 -0.007 0.000 0.803 105 L CB 0.494 42.431 42.059 -0.205 0.000 1.161 105 L HN 0.635 nan 8.230 nan 0.000 0.462 106 P HA 0.123 nan 4.420 nan 0.000 0.277 106 P C -0.898 176.536 177.300 0.223 0.000 1.240 106 P CA -0.710 62.532 63.100 0.238 0.000 0.798 106 P CB 0.861 32.692 31.700 0.219 0.000 0.979 107 M N 2.742 122.391 119.600 0.082 0.000 2.219 107 M HA 0.044 4.524 4.480 -0.000 0.000 0.353 107 M C -0.014 176.227 176.300 -0.098 0.000 1.304 107 M CA -0.044 55.256 55.300 -0.000 0.000 1.115 107 M CB 0.186 32.795 32.600 0.015 0.000 1.664 107 M HN 0.153 nan 8.290 nan 0.000 0.459 108 L N 4.019 125.103 121.223 -0.232 0.000 2.253 108 L HA 0.289 4.629 4.340 -0.000 0.000 0.205 108 L C 0.284 177.032 176.870 -0.204 0.000 1.078 108 L CA 0.958 55.604 54.840 -0.324 0.000 0.805 108 L CB -0.378 41.309 42.059 -0.620 0.000 0.963 108 L HN 0.692 nan 8.230 nan 0.000 0.459 109 N N -1.564 117.056 118.700 -0.133 0.000 2.357 109 N HA 0.347 5.087 4.740 -0.000 0.000 0.284 109 N C -0.432 175.083 175.510 0.007 0.000 1.236 109 N CA -0.394 52.623 53.050 -0.055 0.000 0.774 109 N CB 1.489 39.951 38.487 -0.042 0.000 1.534 109 N HN -0.054 nan 8.380 nan 0.000 0.478 110 E N -1.068 119.149 120.200 0.027 0.000 2.693 110 E HA 0.157 4.507 4.350 -0.000 0.000 0.214 110 E C -0.781 175.847 176.600 0.047 0.000 0.990 110 E CA -0.128 56.294 56.400 0.037 0.000 1.047 110 E CB 0.492 30.206 29.700 0.024 0.000 1.039 110 E HN 0.372 nan 8.360 nan 0.000 0.475 111 D N 1.516 121.953 120.400 0.063 0.000 2.504 111 D HA -0.004 4.636 4.640 -0.000 0.000 0.243 111 D C -0.050 176.282 176.300 0.054 0.000 1.203 111 D CA 0.048 54.084 54.000 0.060 0.000 0.847 111 D CB 0.185 41.037 40.800 0.087 0.000 0.973 111 D HN 0.117 nan 8.370 nan 0.000 0.490 112 L N 0.464 121.723 121.223 0.059 0.000 2.533 112 L HA 0.292 4.632 4.340 -0.000 0.000 0.239 112 L C 0.738 177.632 176.870 0.041 0.000 1.376 112 L CA 0.145 55.024 54.840 0.064 0.000 1.240 112 L CB -1.477 40.636 42.059 0.090 0.000 1.487 112 L HN 0.050 nan 8.230 nan 0.000 0.419 113 T N -4.262 110.310 114.554 0.030 0.000 3.525 113 T HA 0.050 4.400 4.350 -0.000 0.000 0.286 113 T C 0.707 175.412 174.700 0.010 0.000 0.944 113 T CA 0.139 62.249 62.100 0.017 0.000 1.063 113 T CB 0.294 69.171 68.868 0.014 0.000 1.179 113 T HN 0.389 nan 8.240 nan 0.000 0.493 114 C N 2.245 121.550 119.300 0.009 0.000 2.547 114 C HA 0.708 5.168 4.460 -0.000 0.000 0.411 114 C C 0.997 175.987 174.990 0.000 0.000 1.424 114 C CA 0.188 59.202 59.018 -0.007 0.000 1.848 114 C CB 1.546 29.271 27.740 -0.024 0.000 2.062 114 C HN 0.666 nan 8.230 nan 0.000 0.504 115 D N 0.346 120.736 120.400 -0.016 0.000 2.648 115 D HA 0.011 4.651 4.640 -0.000 0.000 0.261 115 D C 0.358 176.660 176.300 0.004 0.000 1.261 115 D CA 0.585 54.580 54.000 -0.008 0.000 1.011 115 D CB -1.607 39.181 40.800 -0.020 0.000 1.092 115 D HN 0.559 nan 8.370 nan 0.000 0.417 116 T N 2.022 116.559 114.554 -0.029 0.000 2.276 116 T HA -0.019 4.331 4.350 -0.000 0.000 0.202 116 T C -0.015 174.784 174.700 0.165 0.000 1.117 116 T CA 0.368 62.457 62.100 -0.018 0.000 1.808 116 T CB -0.527 68.197 68.868 -0.240 0.000 1.045 116 T HN 0.143 nan 8.240 nan 0.000 0.441 117 L N 4.177 125.558 121.223 0.264 0.000 2.342 117 L HA 0.508 4.848 4.340 -0.000 0.000 0.271 117 L C 0.139 177.190 176.870 0.302 0.000 1.008 117 L CA -0.762 54.260 54.840 0.303 0.000 0.818 117 L CB 1.998 44.095 42.059 0.064 0.000 1.296 117 L HN 0.740 nan 8.230 nan 0.000 0.427 118 Q N 3.984 123.716 119.800 -0.114 0.000 2.274 118 Q HA 0.721 5.061 4.340 -0.000 0.000 0.260 118 Q C -1.106 174.616 176.000 -0.464 0.000 0.974 118 Q CA -0.782 54.626 55.803 -0.658 0.000 0.876 118 Q CB 2.420 30.090 28.738 -1.780 0.000 1.297 118 Q HN 0.699 nan 8.270 nan 0.000 0.446 119 M N -0.190 119.170 119.600 -0.399 0.000 2.618 119 M HA 0.540 5.020 4.480 -0.000 0.000 0.281 119 M C -1.620 174.537 176.300 -0.239 0.000 1.267 119 M CA -0.994 54.108 55.300 -0.329 0.000 0.845 119 M CB 1.630 34.141 32.600 -0.148 0.000 1.732 119 M HN 0.663 nan 8.290 nan 0.000 0.461 120 W N 1.407 122.655 121.300 -0.087 0.000 2.257 120 W HA 0.221 4.881 4.660 0.000 0.000 0.337 120 W C 0.347 176.839 176.519 -0.045 0.000 1.321 120 W CA 0.312 57.618 57.345 -0.065 0.000 1.267 120 W CB 0.366 29.800 29.460 -0.043 0.000 1.187 120 W HN 0.546 nan 8.180 nan 0.000 0.565 121 E N 2.746 123.152 120.200 0.344 0.000 2.281 121 E HA 0.432 4.782 4.350 -0.000 0.000 0.266 121 E C -1.142 175.534 176.600 0.128 0.000 0.893 121 E CA -0.647 55.856 56.400 0.172 0.000 0.798 121 E CB 1.384 31.147 29.700 0.105 0.000 1.245 121 E HN 0.462 nan 8.360 nan 0.000 0.410 122 A N 3.282 126.155 122.820 0.089 0.000 2.388 122 A HA 0.438 4.758 4.320 -0.000 0.000 0.257 122 A C 0.500 178.124 177.584 0.067 0.000 1.095 122 A CA -0.273 51.800 52.037 0.059 0.000 0.791 122 A CB 1.047 20.079 19.000 0.053 0.000 1.029 122 A HN 0.458 nan 8.150 nan 0.000 0.489 123 V N 1.350 121.299 119.914 0.059 0.000 2.939 123 V HA 0.157 4.277 4.120 -0.000 0.000 0.228 123 V C 1.073 177.207 176.094 0.066 0.000 1.162 123 V CA 1.424 63.760 62.300 0.060 0.000 1.222 123 V CB -0.062 31.791 31.823 0.050 0.000 1.053 123 V HN 1.048 nan 8.190 nan 0.000 0.504 124 S N -0.905 114.829 115.700 0.057 0.000 2.704 124 S HA 0.843 5.313 4.470 -0.000 0.000 0.296 124 S C -1.121 173.515 174.600 0.060 0.000 1.138 124 S CA -0.547 57.689 58.200 0.059 0.000 0.875 124 S CB 2.333 65.558 63.200 0.041 0.000 1.151 124 S HN 0.526 nan 8.310 nan 0.000 0.500 125 V N 0.256 120.204 119.914 0.058 0.000 2.966 125 V HA 0.511 4.631 4.120 -0.000 0.000 0.288 125 V C -2.002 174.102 176.094 0.015 0.000 1.380 125 V CA -0.603 61.732 62.300 0.058 0.000 0.966 125 V CB 2.045 33.953 31.823 0.141 0.000 1.115 125 V HN 1.016 nan 8.190 nan 0.000 0.436 126 K N 2.925 123.330 120.400 0.009 0.000 2.138 126 K HA 0.756 5.076 4.320 -0.000 0.000 0.263 126 K C -0.715 175.857 176.600 -0.047 0.000 0.965 126 K CA -0.448 55.837 56.287 -0.004 0.000 0.868 126 K CB 2.017 34.566 32.500 0.082 0.000 1.083 126 K HN 0.755 nan 8.250 nan 0.000 0.443 127 T N 1.184 115.619 114.554 -0.197 0.000 2.906 127 T HA 0.371 4.721 4.350 -0.000 0.000 0.295 127 T C -1.838 172.691 174.700 -0.284 0.000 1.075 127 T CA -0.598 61.270 62.100 -0.386 0.000 1.005 127 T CB 1.417 69.683 68.868 -1.004 0.000 1.136 127 T HN 0.663 nan 8.240 nan 0.000 0.498 128 E N 1.719 121.767 120.200 -0.253 0.000 2.381 128 E HA 0.473 4.823 4.350 -0.000 0.000 0.286 128 E C -1.775 174.685 176.600 -0.233 0.000 0.960 128 E CA -0.599 55.657 56.400 -0.240 0.000 0.793 128 E CB 1.932 31.520 29.700 -0.187 0.000 1.225 128 E HN 0.441 nan 8.360 nan 0.000 0.420 129 V N 3.700 123.439 119.914 -0.291 0.000 2.481 129 V HA 0.468 4.588 4.120 -0.000 0.000 0.286 129 V C 0.053 175.996 176.094 -0.251 0.000 1.042 129 V CA -0.488 61.652 62.300 -0.267 0.000 0.928 129 V CB 1.305 32.915 31.823 -0.355 0.000 0.986 129 V HN 0.467 nan 8.190 nan 0.000 0.462 130 V N 1.510 121.348 119.914 -0.126 0.000 2.914 130 V HA 1.049 5.169 4.120 -0.000 0.000 0.314 130 V C 0.634 176.746 176.094 0.030 0.000 1.084 130 V CA 0.048 62.374 62.300 0.044 0.000 0.963 130 V CB 1.265 33.143 31.823 0.091 0.000 1.025 130 V HN 1.286 nan 8.190 nan 0.000 0.432 131 G N 1.797 110.744 108.800 0.245 0.000 2.205 131 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.180 131 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.180 131 G C 0.726 175.696 174.900 0.116 0.000 1.004 131 G CA 0.333 45.515 45.100 0.136 0.000 0.670 131 G HN 1.249 nan 8.290 nan 0.000 0.496 132 S N 0.399 116.130 115.700 0.051 0.000 2.465 132 S HA 0.042 4.512 4.470 -0.000 0.000 0.241 132 S C 2.414 177.120 174.600 0.178 0.000 1.000 132 S CA 1.771 59.913 58.200 -0.097 0.000 0.964 132 S CB -0.306 62.505 63.200 -0.649 0.000 0.763 132 S HN 1.255 nan 8.310 nan 0.000 0.512 133 G N 2.066 111.098 108.800 0.386 0.000 2.402 133 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 133 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 133 G C 1.527 176.480 174.900 0.088 0.000 1.162 133 G CA 1.003 46.223 45.100 0.201 0.000 0.777 133 G HN 0.662 nan 8.290 nan 0.000 0.539 134 S N 0.460 116.200 115.700 0.067 0.000 2.461 134 S HA -0.071 4.399 4.470 -0.000 0.000 0.246 134 S C 2.041 176.660 174.600 0.031 0.000 1.007 134 S CA 0.821 59.039 58.200 0.031 0.000 0.976 134 S CB -0.250 62.952 63.200 0.004 0.000 0.763 134 S HN 0.073 nan 8.310 nan 0.000 0.508 135 L N 0.741 121.985 121.223 0.034 0.000 2.610 135 L HA 0.254 4.594 4.340 -0.000 0.000 0.232 135 L C 1.628 178.512 176.870 0.024 0.000 1.149 135 L CA 0.801 55.660 54.840 0.033 0.000 0.872 135 L CB -1.243 40.830 42.059 0.022 0.000 0.992 135 L HN 0.481 nan 8.230 nan 0.000 0.447 136 L N -0.998 120.237 121.223 0.019 0.000 2.592 136 L HA 0.106 4.446 4.340 -0.000 0.000 0.227 136 L C 0.611 177.464 176.870 -0.028 0.000 1.127 136 L CA -0.141 54.704 54.840 0.008 0.000 0.884 136 L CB -0.004 42.068 42.059 0.022 0.000 1.065 136 L HN 0.083 nan 8.230 nan 0.000 0.457 137 D N 1.054 121.413 120.400 -0.070 0.000 2.339 137 D HA 0.122 4.762 4.640 -0.000 0.000 0.256 137 D C 0.708 176.873 176.300 -0.225 0.000 1.214 137 D CA 0.062 53.920 54.000 -0.236 0.000 0.877 137 D CB 1.818 42.463 40.800 -0.259 0.000 1.111 137 D HN 0.008 nan 8.370 nan 0.000 0.478 138 V N 2.277 122.043 119.914 -0.246 0.000 3.346 138 V HA 0.197 4.317 4.120 -0.000 0.000 0.309 138 V C 0.959 176.995 176.094 -0.097 0.000 1.457 138 V CA -0.290 61.942 62.300 -0.114 0.000 1.069 138 V CB -0.770 31.039 31.823 -0.022 0.000 0.944 138 V HN 0.584 nan 8.190 nan 0.000 0.449 139 H N 0.895 119.923 119.070 -0.069 0.000 3.188 139 H HA 0.764 5.320 4.556 -0.000 0.000 0.204 139 H C 0.864 176.086 175.328 -0.176 0.000 1.565 139 H CA -0.082 55.882 56.048 -0.140 0.000 1.695 139 H CB 0.043 29.737 29.762 -0.114 0.000 1.392 139 H HN 0.576 nan 8.280 nan 0.000 0.965 140 G N -0.336 108.436 108.800 -0.048 0.000 2.796 140 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.226 140 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.226 140 G C -1.241 173.463 174.900 -0.327 0.000 1.381 140 G CA -0.104 44.925 45.100 -0.118 0.000 0.867 140 G HN 0.485 nan 8.290 nan 0.000 0.552 141 F N 2.209 122.174 119.950 0.024 0.000 2.293 141 F HA 0.553 5.080 4.527 0.000 0.000 0.370 141 F C 0.555 176.350 175.800 -0.008 0.000 1.090 141 F CA -1.021 56.986 58.000 0.011 0.000 1.133 141 F CB 1.021 40.029 39.000 0.014 0.000 1.360 141 F HN 0.504 nan 8.300 nan 0.000 0.489 142 N N 1.869 120.739 118.700 0.283 0.000 2.262 142 N HA 0.269 5.009 4.740 -0.000 0.000 0.295 142 N C -1.144 174.489 175.510 0.204 0.000 1.161 142 N CA -1.214 51.930 53.050 0.157 0.000 0.767 142 N CB 1.755 40.276 38.487 0.056 0.000 1.499 142 N HN 0.282 nan 8.380 nan 0.000 0.476 143 K N 1.289 121.743 120.400 0.090 0.000 2.477 143 K HA -0.008 4.312 4.320 -0.000 0.000 0.275 143 K C -2.434 174.221 176.600 0.091 0.000 1.054 143 K CA -0.314 56.008 56.287 0.058 0.000 1.135 143 K CB 0.247 32.734 32.500 -0.022 0.000 0.854 143 K HN 0.274 nan 8.250 nan 0.000 0.484 144 P HA 0.178 nan 4.420 nan 0.000 0.283 144 P C 0.174 177.508 177.300 0.057 0.000 1.278 144 P CA -0.673 62.488 63.100 0.102 0.000 0.834 144 P CB 1.062 32.858 31.700 0.161 0.000 1.150 145 T N -1.297 113.283 114.554 0.043 0.000 2.570 145 T HA -0.225 4.125 4.350 -0.000 0.000 0.266 145 T C 0.526 175.243 174.700 0.027 0.000 1.071 145 T CA 1.850 63.968 62.100 0.030 0.000 1.172 145 T CB -1.024 67.859 68.868 0.026 0.000 0.864 145 T HN 0.564 nan 8.240 nan 0.000 0.421 146 D N 1.556 121.975 120.400 0.031 0.000 2.380 146 D HA 0.245 4.885 4.640 -0.000 0.000 0.230 146 D C 1.248 177.565 176.300 0.028 0.000 1.154 146 D CA 0.031 54.046 54.000 0.025 0.000 0.859 146 D CB 0.970 41.785 40.800 0.025 0.000 1.045 146 D HN 0.277 nan 8.370 nan 0.000 0.495 147 T N 0.179 114.741 114.554 0.013 0.000 3.014 147 T HA -0.074 4.276 4.350 -0.000 0.000 0.263 147 T C 1.795 176.490 174.700 -0.008 0.000 1.078 147 T CA 0.549 62.649 62.100 0.000 0.000 1.135 147 T CB -0.217 68.640 68.868 -0.018 0.000 0.895 147 T HN 0.217 nan 8.240 nan 0.000 0.480 148 V N 3.505 123.417 119.914 -0.004 0.000 2.220 148 V HA -0.193 3.927 4.120 -0.000 0.000 0.242 148 V C 2.359 178.451 176.094 -0.003 0.000 1.041 148 V CA 2.090 64.386 62.300 -0.007 0.000 0.990 148 V CB -0.649 31.172 31.823 -0.003 0.000 0.634 148 V HN 0.570 nan 8.190 nan 0.000 0.452 149 N N -0.625 118.079 118.700 0.008 0.000 2.521 149 N HA -0.039 4.701 4.740 -0.000 0.000 0.188 149 N C 0.366 175.892 175.510 0.027 0.000 1.146 149 N CA 0.833 53.891 53.050 0.013 0.000 0.893 149 N CB 0.050 38.547 38.487 0.017 0.000 0.975 149 N HN 0.597 nan 8.380 nan 0.000 0.451 150 T N 0.509 115.080 114.554 0.029 0.000 3.782 150 T HA -0.169 4.181 4.350 -0.000 0.000 0.383 150 T C 0.077 174.840 174.700 0.104 0.000 0.762 150 T CA 1.166 63.301 62.100 0.059 0.000 2.005 150 T CB -0.838 68.050 68.868 0.034 0.000 1.765 150 T HN 0.330 nan 8.240 nan 0.000 0.774 151 K N -0.964 119.484 120.400 0.079 0.000 2.283 151 K HA 0.873 5.193 4.320 -0.000 0.000 0.257 151 K C 1.026 177.658 176.600 0.053 0.000 1.066 151 K CA 0.466 56.795 56.287 0.071 0.000 0.891 151 K CB 1.349 33.876 32.500 0.046 0.000 1.438 151 K HN 0.486 nan 8.250 nan 0.000 0.464 152 G N -0.019 108.801 108.800 0.034 0.000 3.299 152 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.251 152 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.251 152 G C -1.102 173.806 174.900 0.013 0.000 1.741 152 G CA -0.064 45.050 45.100 0.023 0.000 1.151 152 G HN 0.394 nan 8.290 nan 0.000 0.561 153 I N 0.841 121.419 120.570 0.013 0.000 2.722 153 I HA 0.538 4.708 4.170 -0.000 0.000 0.295 153 I C 0.100 176.214 176.117 -0.005 0.000 1.161 153 I CA -0.657 60.643 61.300 0.000 0.000 1.032 153 I CB 1.769 39.775 38.000 0.009 0.000 1.244 153 I HN 0.423 nan 8.210 nan 0.000 0.421 154 S N 3.628 119.301 115.700 -0.045 0.000 2.700 154 S HA 0.123 4.593 4.470 -0.000 0.000 0.321 154 S C 0.260 174.856 174.600 -0.008 0.000 1.161 154 S CA -0.078 58.094 58.200 -0.047 0.000 1.078 154 S CB -0.520 62.600 63.200 -0.133 0.000 1.302 154 S HN 0.619 nan 8.310 nan 0.000 0.540 155 T N 8.085 122.652 114.554 0.021 0.000 2.658 155 T HA -0.018 4.332 4.350 -0.000 0.000 0.252 155 T C -1.666 173.055 174.700 0.035 0.000 1.021 155 T CA -0.294 61.823 62.100 0.029 0.000 1.169 155 T CB -0.036 68.852 68.868 0.033 0.000 1.015 155 T HN 0.535 nan 8.240 nan 0.000 0.489 156 P HA 0.159 nan 4.420 nan 0.000 0.288 156 P C -0.299 177.048 177.300 0.079 0.000 1.291 156 P CA -0.488 62.642 63.100 0.050 0.000 0.766 156 P CB 0.479 32.201 31.700 0.036 0.000 1.242 157 V N -0.021 119.947 119.914 0.090 0.000 2.583 157 V HA 0.230 4.350 4.120 -0.000 0.000 0.287 157 V C 0.765 176.892 176.094 0.056 0.000 1.051 157 V CA 0.436 62.798 62.300 0.103 0.000 1.010 157 V CB 0.021 31.906 31.823 0.104 0.000 0.988 157 V HN 0.546 nan 8.190 nan 0.000 0.478 158 E N 1.424 121.655 120.200 0.052 0.000 2.442 158 E HA 0.710 5.060 4.350 -0.000 0.000 0.271 158 E C -0.126 176.425 176.600 -0.081 0.000 1.002 158 E CA -0.339 56.076 56.400 0.024 0.000 0.864 158 E CB 2.432 32.187 29.700 0.091 0.000 1.573 158 E HN 1.074 nan 8.360 nan 0.000 0.456 159 G N 0.339 109.116 108.800 -0.039 0.000 2.566 159 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.599 159 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.599 159 G C -0.634 174.109 174.900 -0.261 0.000 1.292 159 G CA -0.485 44.574 45.100 -0.069 0.000 0.922 159 G HN 0.387 nan 8.290 nan 0.000 0.514 160 S N 1.061 116.656 115.700 -0.176 0.000 2.552 160 S HA 0.423 4.893 4.470 -0.000 0.000 0.289 160 S C 0.694 175.141 174.600 -0.256 0.000 1.304 160 S CA 0.902 59.035 58.200 -0.110 0.000 1.063 160 S CB 0.707 64.053 63.200 0.243 0.000 0.848 160 S HN 0.818 nan 8.310 nan 0.000 0.499 161 Q N 1.602 121.322 119.800 -0.133 0.000 2.552 161 Q HA 0.760 5.100 4.340 -0.000 0.000 0.289 161 Q C -1.508 174.476 176.000 -0.027 0.000 1.097 161 Q CA -1.039 54.682 55.803 -0.136 0.000 0.812 161 Q CB 1.872 30.516 28.738 -0.156 0.000 1.460 161 Q HN 0.658 nan 8.270 nan 0.000 0.452 162 Y N -0.075 119.929 120.300 -0.493 0.000 2.457 162 Y HA 0.340 4.890 4.550 0.000 0.000 0.322 162 Y C -2.080 173.411 175.900 -0.682 0.000 1.218 162 Y CA -0.515 57.355 58.100 -0.382 0.000 1.116 162 Y CB 1.727 40.141 38.460 -0.077 0.000 1.335 162 Y HN 0.811 nan 8.280 nan 0.000 0.452 163 H N 5.128 124.067 119.070 -0.218 0.000 2.947 163 H HA 0.789 5.345 4.556 0.000 0.000 0.354 163 H C -1.526 173.652 175.328 -0.251 0.000 1.085 163 H CA -0.828 55.111 56.048 -0.183 0.000 1.253 163 H CB 1.910 31.629 29.762 -0.071 0.000 1.757 163 H HN 0.508 nan 8.280 nan 0.000 0.523 164 V N 3.108 123.005 119.914 -0.029 0.000 3.087 164 V HA 0.543 4.663 4.120 -0.000 0.000 0.306 164 V C -1.002 175.335 176.094 0.404 0.000 1.187 164 V CA -1.041 61.332 62.300 0.122 0.000 0.999 164 V CB 2.557 34.377 31.823 -0.005 0.000 1.049 164 V HN 0.739 nan 8.190 nan 0.000 0.431 165 F N 0.547 120.711 119.950 0.357 0.000 2.693 165 F HA 1.005 5.532 4.527 -0.000 0.000 0.309 165 F C -0.774 175.352 175.800 0.543 0.000 1.129 165 F CA -0.834 57.438 58.000 0.454 0.000 0.948 165 F CB 1.307 40.529 39.000 0.371 0.000 1.315 165 F HN 0.920 nan 8.300 nan 0.000 0.447 166 A N 1.355 124.374 122.820 0.333 0.000 2.574 166 A HA 0.793 5.113 4.320 -0.000 0.000 0.297 166 A C -2.238 175.549 177.584 0.338 0.000 1.062 166 A CA -0.809 51.346 52.037 0.196 0.000 0.686 166 A CB 1.773 20.845 19.000 0.120 0.000 1.285 166 A HN 1.229 nan 8.150 nan 0.000 0.403 167 V N 1.126 121.209 119.914 0.281 0.000 2.444 167 V HA 0.811 4.931 4.120 -0.000 0.000 0.294 167 V C 0.518 176.694 176.094 0.136 0.000 1.022 167 V CA 0.243 62.686 62.300 0.237 0.000 0.850 167 V CB 1.374 33.376 31.823 0.299 0.000 0.992 167 V HN 1.501 nan 8.190 nan 0.000 0.426 168 G N 2.150 111.013 108.800 0.105 0.000 2.672 168 G HA2 0.558 4.518 3.960 -0.000 0.000 0.292 168 G HA3 0.558 4.518 3.960 -0.000 0.000 0.292 168 G C 0.580 175.539 174.900 0.097 0.000 1.375 168 G CA 0.060 45.193 45.100 0.054 0.000 0.890 168 G HN 0.825 nan 8.290 nan 0.000 0.476 169 G N -0.937 107.885 108.800 0.035 0.000 2.623 169 G HA2 0.344 4.304 3.960 -0.000 0.000 0.214 169 G HA3 0.344 4.304 3.960 -0.000 0.000 0.214 169 G C 0.525 175.422 174.900 -0.005 0.000 1.138 169 G CA 1.056 46.204 45.100 0.080 0.000 0.794 169 G HN 0.834 nan 8.290 nan 0.000 0.535 170 E N 0.192 120.171 120.200 -0.368 0.000 2.446 170 E HA 0.361 4.711 4.350 -0.000 0.000 0.276 170 E C -3.166 172.674 176.600 -1.266 0.000 0.969 170 E CA -2.233 53.650 56.400 -0.863 0.000 0.800 170 E CB 1.680 31.150 29.700 -0.383 0.000 1.341 170 E HN -0.104 nan 8.360 nan 0.000 0.460 171 P HA -0.075 nan 4.420 nan 0.000 0.269 171 P C 0.230 177.252 177.300 -0.464 0.000 1.211 171 P CA -0.319 62.318 63.100 -0.771 0.000 0.781 171 P CB 0.617 32.069 31.700 -0.414 0.000 0.877 172 L N 2.213 123.220 121.223 -0.361 0.000 2.426 172 L HA 0.142 4.482 4.340 -0.000 0.000 0.271 172 L C -0.428 176.205 176.870 -0.394 0.000 1.169 172 L CA 0.269 54.903 54.840 -0.343 0.000 0.836 172 L CB 0.032 41.870 42.059 -0.369 0.000 1.112 172 L HN 0.333 nan 8.230 nan 0.000 0.465 173 D N 4.581 124.796 120.400 -0.308 0.000 2.225 173 D HA 0.553 5.193 4.640 -0.000 0.000 0.248 173 D C -0.466 175.664 176.300 -0.284 0.000 1.096 173 D CA -0.148 53.690 54.000 -0.270 0.000 0.863 173 D CB 1.560 42.261 40.800 -0.164 0.000 1.156 173 D HN 0.284 nan 8.370 nan 0.000 0.450 174 L N 1.227 122.282 121.223 -0.280 0.000 2.279 174 L HA 0.592 4.932 4.340 -0.000 0.000 0.262 174 L C -0.285 176.629 176.870 0.074 0.000 1.019 174 L CA -0.920 53.816 54.840 -0.173 0.000 0.823 174 L CB 1.119 42.977 42.059 -0.335 0.000 1.358 174 L HN 0.205 nan 8.230 nan 0.000 0.432 175 Q N -0.103 119.862 119.800 0.275 0.000 2.309 175 Q HA 0.613 4.953 4.340 -0.000 0.000 0.273 175 Q C -1.102 175.123 176.000 0.376 0.000 1.040 175 Q CA -0.460 55.528 55.803 0.308 0.000 0.834 175 Q CB 2.600 31.427 28.738 0.148 0.000 1.345 175 Q HN 0.852 nan 8.270 nan 0.000 0.414 176 G N 3.008 111.903 108.800 0.158 0.000 2.417 176 G HA2 0.686 4.646 3.960 -0.000 0.000 0.320 176 G HA3 0.686 4.646 3.960 -0.000 0.000 0.320 176 G C -0.739 174.093 174.900 -0.112 0.000 1.204 176 G CA -0.250 44.732 45.100 -0.198 0.000 0.923 176 G HN 0.399 nan 8.290 nan 0.000 0.466 177 L N 1.557 122.732 121.223 -0.080 0.000 2.327 177 L HA 0.886 5.226 4.340 -0.000 0.000 0.258 177 L C -0.575 176.262 176.870 -0.055 0.000 1.024 177 L CA -1.334 53.447 54.840 -0.098 0.000 0.825 177 L CB 2.160 44.117 42.059 -0.169 0.000 1.386 177 L HN 0.442 nan 8.230 nan 0.000 0.417 178 V N -0.845 119.042 119.914 -0.045 0.000 3.258 178 V HA 0.376 4.496 4.120 -0.000 0.000 0.299 178 V C 0.373 176.464 176.094 -0.004 0.000 1.376 178 V CA 0.311 62.606 62.300 -0.008 0.000 1.063 178 V CB 2.441 34.261 31.823 -0.006 0.000 1.103 178 V HN 0.973 nan 8.190 nan 0.000 0.451 179 T N 0.465 115.028 114.554 0.014 0.000 2.673 179 T HA 0.109 4.459 4.350 -0.000 0.000 0.248 179 T C 0.298 174.997 174.700 -0.002 0.000 1.080 179 T CA 1.055 63.155 62.100 0.001 0.000 1.203 179 T CB -0.270 68.599 68.868 0.003 0.000 0.893 179 T HN 0.620 nan 8.240 nan 0.000 0.404 180 D N 0.931 121.332 120.400 0.001 0.000 2.280 180 D HA 0.638 5.278 4.640 -0.000 0.000 0.236 180 D C 0.535 176.832 176.300 -0.005 0.000 1.082 180 D CA -0.320 53.671 54.000 -0.015 0.000 0.834 180 D CB 1.409 42.185 40.800 -0.039 0.000 1.100 180 D HN 0.369 nan 8.370 nan 0.000 0.486 181 A N 3.764 126.582 122.820 -0.004 0.000 2.239 181 A HA -0.075 4.245 4.320 -0.000 0.000 0.209 181 A C 1.535 179.115 177.584 -0.005 0.000 1.171 181 A CA 0.760 52.801 52.037 0.007 0.000 0.768 181 A CB -0.088 18.913 19.000 0.002 0.000 0.790 181 A HN 0.516 nan 8.150 nan 0.000 0.478 182 R N -0.557 119.925 120.500 -0.031 0.000 2.334 182 R HA 0.121 4.461 4.340 -0.000 0.000 0.216 182 R C -0.044 176.199 176.300 -0.095 0.000 0.905 182 R CA 0.186 56.257 56.100 -0.048 0.000 1.064 182 R CB -0.081 30.192 30.300 -0.045 0.000 1.046 182 R HN 0.252 nan 8.270 nan 0.000 0.508 183 T N 2.002 116.470 114.554 -0.143 0.000 2.940 183 T HA 0.044 4.394 4.350 -0.000 0.000 0.309 183 T C 0.330 174.815 174.700 -0.358 0.000 1.056 183 T CA 0.276 62.178 62.100 -0.331 0.000 1.137 183 T CB 0.714 69.250 68.868 -0.555 0.000 0.976 183 T HN 0.113 nan 8.240 nan 0.000 0.547 184 K N 2.915 123.094 120.400 -0.369 0.000 2.559 184 K HA 0.195 4.515 4.320 -0.000 0.000 0.236 184 K C -0.848 175.633 176.600 -0.198 0.000 1.185 184 K CA -0.379 55.782 56.287 -0.210 0.000 1.157 184 K CB 0.066 32.492 32.500 -0.123 0.000 1.782 184 K HN 0.514 nan 8.250 nan 0.000 0.419 185 Y N 1.385 121.690 120.300 0.008 0.000 2.610 185 Y HA -0.037 4.513 4.550 0.000 0.000 0.332 185 Y C 0.485 176.396 175.900 0.018 0.000 1.201 185 Y CA -0.297 57.814 58.100 0.018 0.000 1.465 185 Y CB 0.308 38.782 38.460 0.023 0.000 1.283 185 Y HN 0.104 nan 8.280 nan 0.000 0.563 186 K N 2.978 123.479 120.400 0.169 0.000 2.315 186 K HA 0.031 4.351 4.320 -0.000 0.000 0.291 186 K C 0.906 177.569 176.600 0.104 0.000 1.074 186 K CA -0.091 56.255 56.287 0.099 0.000 0.936 186 K CB 0.064 32.606 32.500 0.071 0.000 1.049 186 K HN 0.675 nan 8.250 nan 0.000 0.471 187 E N 0.696 120.950 120.200 0.090 0.000 2.396 187 E HA -0.230 4.120 4.350 -0.000 0.000 0.200 187 E C -0.029 176.598 176.600 0.045 0.000 1.023 187 E CA 0.832 57.275 56.400 0.071 0.000 0.857 187 E CB 0.087 29.822 29.700 0.059 0.000 0.775 187 E HN 0.382 nan 8.360 nan 0.000 0.525 188 E N 0.510 120.736 120.200 0.043 0.000 2.052 188 E HA 0.258 4.608 4.350 -0.000 0.000 0.283 188 E C 0.312 176.930 176.600 0.029 0.000 1.071 188 E CA 0.500 56.918 56.400 0.029 0.000 0.851 188 E CB 0.500 30.216 29.700 0.027 0.000 1.066 188 E HN 0.313 nan 8.360 nan 0.000 0.396 189 G N 2.547 111.356 108.800 0.015 0.000 2.131 189 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.201 189 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.201 189 G C -0.387 174.516 174.900 0.005 0.000 1.000 189 G CA -0.104 45.003 45.100 0.011 0.000 0.680 189 G HN 1.208 nan 8.290 nan 0.000 0.514 190 V N -0.715 119.191 119.914 -0.012 0.000 2.859 190 V HA 0.488 4.608 4.120 -0.000 0.000 0.257 190 V C 0.095 176.154 176.094 -0.058 0.000 1.691 190 V CA -0.210 62.068 62.300 -0.037 0.000 0.901 190 V CB 1.541 33.374 31.823 0.017 0.000 1.246 190 V HN 1.629 nan 8.190 nan 0.000 0.466 191 V N 4.285 124.096 119.914 -0.171 0.000 2.763 191 V HA 0.834 4.954 4.120 -0.000 0.000 0.306 191 V C 0.444 176.620 176.094 0.138 0.000 1.059 191 V CA 0.978 63.195 62.300 -0.139 0.000 1.138 191 V CB 0.586 32.075 31.823 -0.556 0.000 0.940 191 V HN 1.212 nan 8.190 nan 0.000 0.489 192 T N 1.334 116.020 114.554 0.220 0.000 2.792 192 T HA 0.521 4.871 4.350 -0.000 0.000 0.303 192 T C 0.674 175.546 174.700 0.286 0.000 1.310 192 T CA -0.178 62.028 62.100 0.177 0.000 1.007 192 T CB 1.357 70.227 68.868 0.003 0.000 1.335 192 T HN 0.545 nan 8.240 nan 0.000 0.504 193 I N 0.375 121.006 120.570 0.103 0.000 2.185 193 I HA -0.266 3.904 4.170 -0.000 0.000 0.246 193 I C 2.419 178.619 176.117 0.138 0.000 1.088 193 I CA 1.470 62.840 61.300 0.118 0.000 1.347 193 I CB -1.329 36.649 38.000 -0.036 0.000 1.041 193 I HN 0.703 nan 8.210 nan 0.000 0.415 194 K N 1.736 122.200 120.400 0.107 0.000 1.984 194 K HA -0.102 4.218 4.320 -0.000 0.000 0.209 194 K C 1.962 178.617 176.600 0.092 0.000 1.046 194 K CA 2.242 58.583 56.287 0.090 0.000 0.934 194 K CB -2.178 30.371 32.500 0.080 0.000 0.717 194 K HN 0.523 nan 8.250 nan 0.000 0.438 195 T N 0.480 115.090 114.554 0.093 0.000 2.836 195 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 195 T C 1.927 176.670 174.700 0.072 0.000 1.080 195 T CA 1.626 63.767 62.100 0.068 0.000 1.128 195 T CB -0.357 68.538 68.868 0.046 0.000 0.839 195 T HN 0.328 nan 8.240 nan 0.000 0.507 196 I N 0.184 120.826 120.570 0.120 0.000 2.810 196 I HA 0.277 4.447 4.170 -0.000 0.000 0.262 196 I C 0.933 177.106 176.117 0.094 0.000 1.131 196 I CA 0.761 62.128 61.300 0.112 0.000 1.453 196 I CB 0.450 38.558 38.000 0.180 0.000 1.161 196 I HN 0.128 nan 8.210 nan 0.000 0.444 197 T N 2.102 116.719 114.554 0.104 0.000 3.253 197 T HA 0.261 4.611 4.350 -0.000 0.000 0.391 197 T C 0.821 175.557 174.700 0.060 0.000 1.527 197 T CA -0.626 61.520 62.100 0.076 0.000 1.268 197 T CB -0.269 68.646 68.868 0.078 0.000 1.126 197 T HN 0.130 nan 8.240 nan 0.000 0.620 198 K N 2.033 122.463 120.400 0.050 0.000 2.523 198 K HA -0.259 4.061 4.320 -0.000 0.000 0.197 198 K C 0.486 177.110 176.600 0.041 0.000 0.788 198 K CA 1.845 58.157 56.287 0.041 0.000 1.012 198 K CB -1.018 31.500 32.500 0.032 0.000 1.260 198 K HN 0.527 nan 8.250 nan 0.000 0.583 199 K N 2.701 123.124 120.400 0.037 0.000 2.382 199 K HA 0.045 4.365 4.320 -0.000 0.000 0.275 199 K C 0.397 177.020 176.600 0.038 0.000 1.009 199 K CA -0.027 56.280 56.287 0.033 0.000 0.970 199 K CB 0.306 32.823 32.500 0.028 0.000 0.934 199 K HN 0.129 nan 8.250 nan 0.000 0.479 200 D N 1.813 122.234 120.400 0.035 0.000 2.300 200 D HA -0.078 4.562 4.640 -0.000 0.000 0.235 200 D C 0.919 177.240 176.300 0.035 0.000 1.338 200 D CA 0.435 54.458 54.000 0.038 0.000 0.903 200 D CB 0.387 41.206 40.800 0.031 0.000 1.180 200 D HN 0.319 nan 8.370 nan 0.000 0.485 201 M N -0.142 119.480 119.600 0.036 0.000 2.184 201 M HA 0.175 4.655 4.480 -0.000 0.000 0.296 201 M C 0.066 176.375 176.300 0.016 0.000 1.165 201 M CA 0.064 55.379 55.300 0.026 0.000 1.175 201 M CB 0.198 32.817 32.600 0.032 0.000 1.392 201 M HN 0.031 nan 8.290 nan 0.000 0.457 202 V N 0.270 120.189 119.914 0.009 0.000 3.114 202 V HA 0.183 4.303 4.120 -0.000 0.000 0.308 202 V C 0.678 176.771 176.094 -0.001 0.000 1.168 202 V CA -0.892 61.411 62.300 0.005 0.000 1.015 202 V CB 1.918 33.744 31.823 0.006 0.000 1.050 202 V HN 0.910 nan 8.190 nan 0.000 0.433 203 N N 2.008 120.706 118.700 -0.002 0.000 2.104 203 N HA -0.218 4.522 4.740 -0.000 0.000 0.190 203 N C 1.195 176.699 175.510 -0.009 0.000 1.024 203 N CA 1.824 54.871 53.050 -0.006 0.000 0.853 203 N CB -0.462 38.021 38.487 -0.006 0.000 1.008 203 N HN 0.747 nan 8.380 nan 0.000 0.424 204 K N 0.276 120.673 120.400 -0.006 0.000 2.113 204 K HA -0.152 4.168 4.320 -0.000 0.000 0.208 204 K C 1.370 177.962 176.600 -0.014 0.000 1.047 204 K CA 1.696 57.979 56.287 -0.008 0.000 0.928 204 K CB -0.168 32.331 32.500 -0.002 0.000 0.716 204 K HN 0.196 nan 8.250 nan 0.000 0.446 205 D N 0.718 121.109 120.400 -0.014 0.000 2.106 205 D HA -0.228 4.412 4.640 -0.000 0.000 0.191 205 D C 1.802 178.078 176.300 -0.039 0.000 0.997 205 D CA 1.143 55.126 54.000 -0.028 0.000 0.834 205 D CB -0.340 40.442 40.800 -0.030 0.000 0.956 205 D HN 0.247 nan 8.370 nan 0.000 0.448 206 Q N 0.168 119.951 119.800 -0.028 0.000 2.389 206 Q HA -0.176 4.164 4.340 -0.000 0.000 0.213 206 Q C 1.599 177.577 176.000 -0.036 0.000 0.989 206 Q CA 1.507 57.293 55.803 -0.028 0.000 0.891 206 Q CB 0.228 28.956 28.738 -0.018 0.000 0.923 206 Q HN 0.405 nan 8.270 nan 0.000 0.455 207 V N -3.980 115.913 119.914 -0.035 0.000 3.278 207 V HA 0.310 4.430 4.120 -0.000 0.000 0.215 207 V C -0.057 176.011 176.094 -0.045 0.000 1.287 207 V CA -0.172 62.104 62.300 -0.039 0.000 1.302 207 V CB 0.634 32.442 31.823 -0.026 0.000 1.228 207 V HN 0.133 nan 8.190 nan 0.000 0.523 208 L N 2.387 123.591 121.223 -0.031 0.000 2.564 208 L HA 0.619 4.959 4.340 -0.000 0.000 0.259 208 L C -1.288 175.575 176.870 -0.011 0.000 1.101 208 L CA -0.131 54.694 54.840 -0.026 0.000 0.900 208 L CB 0.884 42.931 42.059 -0.019 0.000 1.110 208 L HN 0.375 nan 8.230 nan 0.000 0.468 209 N N 4.760 123.454 118.700 -0.009 0.000 2.558 209 N HA 0.466 5.206 4.740 -0.000 0.000 0.233 209 N C -2.007 173.519 175.510 0.026 0.000 1.038 209 N CA -2.173 50.881 53.050 0.007 0.000 0.934 209 N CB 1.540 40.030 38.487 0.005 0.000 1.175 209 N HN 0.291 nan 8.380 nan 0.000 0.512 210 P HA -0.094 nan 4.420 nan 0.000 0.227 210 P C 0.504 177.827 177.300 0.038 0.000 1.145 210 P CA 0.735 63.853 63.100 0.029 0.000 0.769 210 P CB 0.304 32.016 31.700 0.019 0.000 0.769 211 I N -1.919 118.676 120.570 0.042 0.000 2.512 211 I HA -0.049 4.121 4.170 -0.000 0.000 0.247 211 I C 1.083 177.249 176.117 0.081 0.000 1.094 211 I CA 1.006 62.336 61.300 0.051 0.000 1.427 211 I CB -1.266 36.760 38.000 0.043 0.000 1.149 211 I HN -0.316 nan 8.210 nan 0.000 0.438 212 S N 3.282 119.034 115.700 0.087 0.000 3.902 212 S HA 0.037 4.507 4.470 -0.000 0.000 0.176 212 S C 0.153 174.898 174.600 0.241 0.000 1.153 212 S CA 0.339 58.623 58.200 0.140 0.000 0.954 212 S CB -1.258 61.970 63.200 0.047 0.000 1.530 212 S HN 0.215 nan 8.310 nan 0.000 0.445 213 K N 1.380 121.917 120.400 0.228 0.000 2.397 213 K HA 0.745 5.065 4.320 -0.000 0.000 0.253 213 K C -0.237 176.443 176.600 0.134 0.000 0.932 213 K CA -0.459 55.953 56.287 0.209 0.000 0.795 213 K CB 2.088 34.642 32.500 0.090 0.000 1.159 213 K HN 0.347 nan 8.250 nan 0.000 0.424 214 A N 2.588 125.404 122.820 -0.006 0.000 2.486 214 A HA 0.689 5.009 4.320 -0.000 0.000 0.277 214 A C -1.179 176.190 177.584 -0.359 0.000 1.282 214 A CA -0.684 51.211 52.037 -0.236 0.000 0.784 214 A CB 1.278 19.975 19.000 -0.505 0.000 1.350 214 A HN 0.576 nan 8.150 nan 0.000 0.454 215 K N -0.517 119.644 120.400 -0.398 0.000 2.352 215 K HA 0.510 4.830 4.320 -0.000 0.000 0.240 215 K C -0.544 175.627 176.600 -0.716 0.000 1.017 215 K CA -0.770 55.251 56.287 -0.444 0.000 0.851 215 K CB 1.744 34.089 32.500 -0.258 0.000 1.261 215 K HN 0.471 nan 8.250 nan 0.000 0.451 216 L N 3.208 124.041 121.223 -0.651 0.000 2.777 216 L HA -0.040 4.300 4.340 -0.000 0.000 0.244 216 L C 1.104 177.812 176.870 -0.270 0.000 1.235 216 L CA 0.353 54.761 54.840 -0.721 0.000 1.062 216 L CB -0.645 41.107 42.059 -0.512 0.000 1.340 216 L HN 0.728 nan 8.230 nan 0.000 0.439 217 D N -0.087 120.240 120.400 -0.121 0.000 2.133 217 D HA -0.227 4.413 4.640 -0.000 0.000 0.195 217 D C 1.072 177.444 176.300 0.122 0.000 0.997 217 D CA 1.215 55.235 54.000 0.034 0.000 0.840 217 D CB 0.334 41.154 40.800 0.034 0.000 0.947 217 D HN 0.216 nan 8.370 nan 0.000 0.452 218 K N 0.157 120.737 120.400 0.300 0.000 2.642 218 K HA 0.300 4.620 4.320 -0.000 0.000 0.273 218 K C -0.335 176.435 176.600 0.284 0.000 1.029 218 K CA -0.650 55.773 56.287 0.227 0.000 1.071 218 K CB 0.857 33.390 32.500 0.054 0.000 1.451 218 K HN 0.040 nan 8.250 nan 0.000 0.559 219 D N -1.662 118.859 120.400 0.202 0.000 2.717 219 D HA 0.247 4.887 4.640 -0.000 0.000 0.223 219 D C -0.328 176.073 176.300 0.169 0.000 1.240 219 D CA 0.084 54.205 54.000 0.203 0.000 0.801 219 D CB 1.522 42.399 40.800 0.128 0.000 1.556 219 D HN 0.557 nan 8.370 nan 0.000 0.462 220 G N 2.112 111.038 108.800 0.210 0.000 2.305 220 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.287 220 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.287 220 G C 0.381 175.358 174.900 0.127 0.000 1.036 220 G CA 1.216 46.414 45.100 0.163 0.000 0.887 220 G HN 0.459 nan 8.290 nan 0.000 0.505 221 M N -2.091 117.602 119.600 0.155 0.000 2.227 221 M HA 0.403 4.883 4.480 -0.000 0.000 0.226 221 M C 0.205 176.497 176.300 -0.013 0.000 1.423 221 M CA -0.025 55.266 55.300 -0.015 0.000 1.055 221 M CB 0.531 32.995 32.600 -0.227 0.000 1.572 221 M HN 0.131 nan 8.290 nan 0.000 0.567 222 Y N 3.233 123.595 120.300 0.104 0.000 2.531 222 Y HA 0.340 4.890 4.550 0.000 0.000 0.347 222 Y C -2.082 174.066 175.900 0.414 0.000 1.024 222 Y CA -2.757 55.459 58.100 0.193 0.000 1.306 222 Y CB -0.730 37.628 38.460 -0.170 0.000 1.149 222 Y HN 0.140 nan 8.280 nan 0.000 0.527 223 P HA -0.018 nan 4.420 nan 0.000 0.271 223 P C 0.649 178.141 177.300 0.321 0.000 1.216 223 P CA 0.053 63.304 63.100 0.252 0.000 0.776 223 P CB 1.936 33.687 31.700 0.084 0.000 0.881 224 V N 3.042 123.011 119.914 0.093 0.000 2.515 224 V HA -0.216 3.904 4.120 -0.000 0.000 0.250 224 V C 2.612 178.646 176.094 -0.101 0.000 1.058 224 V CA 2.087 64.356 62.300 -0.051 0.000 1.064 224 V CB -1.537 30.052 31.823 -0.391 0.000 0.675 224 V HN 0.654 nan 8.190 nan 0.000 0.461 225 E N 0.183 120.339 120.200 -0.072 0.000 2.253 225 E HA -0.254 4.096 4.350 -0.000 0.000 0.202 225 E C 1.906 178.457 176.600 -0.081 0.000 1.014 225 E CA 1.955 58.329 56.400 -0.043 0.000 0.823 225 E CB -0.065 29.679 29.700 0.073 0.000 0.736 225 E HN 0.699 nan 8.360 nan 0.000 0.478 226 I N -1.701 118.755 120.570 -0.190 0.000 3.194 226 I HA 0.070 4.240 4.170 -0.000 0.000 0.271 226 I C 0.371 176.184 176.117 -0.507 0.000 1.150 226 I CA -0.244 60.805 61.300 -0.418 0.000 1.440 226 I CB 0.016 37.508 38.000 -0.847 0.000 1.276 226 I HN 0.031 nan 8.210 nan 0.000 0.457 227 W N 2.407 123.654 121.300 -0.088 0.000 2.316 227 W HA 0.367 5.027 4.660 0.000 0.000 0.321 227 W C 0.060 176.365 176.519 -0.357 0.000 1.203 227 W CA -0.120 57.167 57.345 -0.097 0.000 1.214 227 W CB 0.471 29.929 29.460 -0.003 0.000 1.169 227 W HN 0.005 nan 8.180 nan 0.000 0.561 228 H N 1.987 121.264 119.070 0.346 0.000 2.895 228 H HA 0.229 4.785 4.556 -0.000 0.000 0.373 228 H C -2.393 172.902 175.328 -0.055 0.000 1.174 228 H CA -2.257 53.911 56.048 0.199 0.000 1.144 228 H CB 1.817 31.663 29.762 0.140 0.000 1.793 228 H HN 0.062 nan 8.280 nan 0.000 0.551 229 P HA -0.037 nan 4.420 nan 0.000 0.269 229 P C -0.321 176.827 177.300 -0.253 0.000 1.252 229 P CA 0.165 62.983 63.100 -0.470 0.000 0.780 229 P CB 0.385 31.389 31.700 -1.160 0.000 0.829 230 D N 5.957 126.289 120.400 -0.113 0.000 2.312 230 D HA 0.151 4.791 4.640 -0.000 0.000 0.252 230 D C -2.002 174.325 176.300 0.045 0.000 1.150 230 D CA -2.551 51.447 54.000 -0.004 0.000 0.870 230 D CB 0.450 41.254 40.800 0.007 0.000 1.153 230 D HN 0.212 nan 8.370 nan 0.000 0.457 231 P HA 0.234 nan 4.420 nan 0.000 0.247 231 P C -0.520 176.807 177.300 0.045 0.000 1.756 231 P CA -0.435 62.733 63.100 0.112 0.000 1.117 231 P CB 0.268 32.035 31.700 0.111 0.000 1.869 232 A N 4.109 126.945 122.820 0.027 0.000 2.507 232 A HA 0.011 4.331 4.320 -0.000 0.000 0.235 232 A C 1.657 179.241 177.584 0.000 0.000 1.070 232 A CA 0.021 52.060 52.037 0.004 0.000 0.768 232 A CB 0.303 19.293 19.000 -0.016 0.000 1.011 232 A HN 0.452 nan 8.150 nan 0.000 0.502 233 K N 1.098 121.496 120.400 -0.003 0.000 2.113 233 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 233 K C 0.252 176.845 176.600 -0.013 0.000 1.047 233 K CA 1.717 58.000 56.287 -0.006 0.000 0.928 233 K CB -0.244 32.253 32.500 -0.004 0.000 0.716 233 K HN 0.508 nan 8.250 nan 0.000 0.446 234 N N 0.912 119.602 118.700 -0.017 0.000 2.405 234 N HA 0.314 5.054 4.740 -0.000 0.000 0.299 234 N C -1.456 174.034 175.510 -0.033 0.000 1.075 234 N CA -0.443 52.592 53.050 -0.024 0.000 0.884 234 N CB 1.884 40.357 38.487 -0.024 0.000 1.194 234 N HN 0.148 nan 8.380 nan 0.000 0.491 235 E N 0.169 120.345 120.200 -0.040 0.000 2.381 235 E HA 0.261 4.611 4.350 -0.000 0.000 0.286 235 E C -1.144 175.424 176.600 -0.054 0.000 0.960 235 E CA -0.376 55.994 56.400 -0.051 0.000 0.793 235 E CB 0.975 30.644 29.700 -0.052 0.000 1.225 235 E HN 0.457 nan 8.360 nan 0.000 0.420 236 N N 1.558 120.223 118.700 -0.059 0.000 2.365 236 N HA 0.232 4.972 4.740 -0.000 0.000 0.257 236 N C -1.396 174.088 175.510 -0.044 0.000 1.287 236 N CA 0.145 53.168 53.050 -0.045 0.000 0.882 236 N CB 0.809 39.272 38.487 -0.041 0.000 1.250 236 N HN 0.361 nan 8.380 nan 0.000 0.507 237 T N -0.720 113.801 114.554 -0.055 0.000 2.916 237 T HA 0.570 4.920 4.350 -0.000 0.000 0.292 237 T C -0.780 173.874 174.700 -0.077 0.000 1.064 237 T CA -0.819 61.258 62.100 -0.039 0.000 1.011 237 T CB 1.838 70.678 68.868 -0.046 0.000 1.152 237 T HN -0.111 nan 8.240 nan 0.000 0.510 238 R N 1.410 121.871 120.500 -0.065 0.000 2.476 238 R HA 0.451 4.791 4.340 -0.000 0.000 0.305 238 R C -1.509 174.558 176.300 -0.387 0.000 0.965 238 R CA -0.713 55.232 56.100 -0.260 0.000 0.867 238 R CB 1.292 31.620 30.300 0.048 0.000 1.176 238 R HN 0.861 nan 8.270 nan 0.000 0.447 239 Y N 0.802 120.588 120.300 -0.856 0.000 2.562 239 Y HA 0.867 5.417 4.550 0.000 0.000 0.343 239 Y C -1.163 173.940 175.900 -1.328 0.000 1.025 239 Y CA -1.840 55.782 58.100 -0.796 0.000 1.082 239 Y CB 1.375 39.624 38.460 -0.352 0.000 1.264 239 Y HN 0.326 nan 8.280 nan 0.000 0.478 240 F N 0.187 120.070 119.950 -0.113 0.000 2.665 240 F HA 0.849 5.376 4.527 -0.000 0.000 0.308 240 F C 0.050 175.885 175.800 0.058 0.000 1.112 240 F CA -1.038 56.956 58.000 -0.011 0.000 0.972 240 F CB 2.027 40.970 39.000 -0.095 0.000 1.295 240 F HN 0.967 nan 8.300 nan 0.000 0.440 241 G N 1.163 110.137 108.800 0.290 0.000 2.356 241 G HA2 0.498 4.458 3.960 -0.000 0.000 0.294 241 G HA3 0.498 4.458 3.960 -0.000 0.000 0.294 241 G C -2.431 172.514 174.900 0.075 0.000 1.423 241 G CA -0.902 44.282 45.100 0.139 0.000 0.806 241 G HN 1.211 nan 8.290 nan 0.000 0.527 242 N N -2.018 116.661 118.700 -0.036 0.000 2.484 242 N HA 0.608 5.348 4.740 -0.000 0.000 0.269 242 N C -1.819 173.744 175.510 0.089 0.000 1.237 242 N CA -0.911 52.167 53.050 0.047 0.000 0.838 242 N CB 2.355 40.893 38.487 0.085 0.000 1.593 242 N HN 0.809 nan 8.380 nan 0.000 0.485 243 Y N 1.079 121.459 120.300 0.133 0.000 2.352 243 Y HA 0.618 5.168 4.550 -0.000 0.000 0.339 243 Y C -1.294 174.692 175.900 0.144 0.000 0.992 243 Y CA -0.550 57.706 58.100 0.261 0.000 1.100 243 Y CB 1.844 40.500 38.460 0.327 0.000 1.192 243 Y HN 0.678 nan 8.280 nan 0.000 0.458 244 T N 4.114 118.243 114.554 -0.708 0.000 2.963 244 T HA 0.577 4.927 4.350 -0.000 0.000 0.328 244 T C 0.268 174.442 174.700 -0.877 0.000 1.048 244 T CA -0.524 61.203 62.100 -0.622 0.000 1.033 244 T CB 0.672 69.392 68.868 -0.246 0.000 1.010 244 T HN 0.967 nan 8.240 nan 0.000 0.469 245 G N 0.932 109.081 108.800 -1.084 0.000 2.588 245 G HA2 0.757 4.717 3.960 -0.000 0.000 0.281 245 G HA3 0.757 4.717 3.960 -0.000 0.000 0.281 245 G C 0.295 175.158 174.900 -0.060 0.000 1.236 245 G CA -0.114 44.745 45.100 -0.402 0.000 0.969 245 G HN 1.319 nan 8.290 nan 0.000 0.504 246 G N -2.353 106.517 108.800 0.117 0.000 2.357 246 G HA2 0.391 4.351 3.960 -0.000 0.000 0.643 246 G HA3 0.391 4.351 3.960 -0.000 0.000 0.643 246 G C 0.383 175.406 174.900 0.205 0.000 1.358 246 G CA 0.785 45.952 45.100 0.111 0.000 0.986 246 G HN 1.467 nan 8.290 nan 0.000 0.620 247 T N -4.081 110.577 114.554 0.172 0.000 3.000 247 T HA 0.253 4.603 4.350 -0.000 0.000 0.248 247 T C 1.782 176.636 174.700 0.257 0.000 1.034 247 T CA 1.993 64.228 62.100 0.227 0.000 1.060 247 T CB 0.180 69.112 68.868 0.107 0.000 0.983 247 T HN 1.548 nan 8.240 nan 0.000 0.482 248 T N -0.354 114.293 114.554 0.156 0.000 3.043 248 T HA 0.212 4.562 4.350 -0.000 0.000 0.272 248 T C 0.485 175.229 174.700 0.075 0.000 0.990 248 T CA -0.272 61.901 62.100 0.122 0.000 0.897 248 T CB -0.309 68.609 68.868 0.083 0.000 1.111 248 T HN 0.251 nan 8.240 nan 0.000 0.529 249 T N 5.303 119.891 114.554 0.057 0.000 2.765 249 T HA 0.137 4.487 4.350 -0.000 0.000 0.275 249 T C -2.566 172.130 174.700 -0.007 0.000 1.007 249 T CA -0.334 61.773 62.100 0.011 0.000 1.175 249 T CB 0.028 68.887 68.868 -0.015 0.000 0.993 249 T HN 0.218 nan 8.240 nan 0.000 0.510 250 P HA 0.290 nan 4.420 nan 0.000 0.276 250 P C -2.368 174.921 177.300 -0.019 0.000 1.230 250 P CA -1.488 61.608 63.100 -0.006 0.000 0.776 250 P CB 0.001 31.700 31.700 -0.000 0.000 0.888 251 P HA 0.235 nan 4.420 nan 0.000 0.274 251 P C -1.023 176.263 177.300 -0.024 0.000 1.237 251 P CA -0.065 63.023 63.100 -0.020 0.000 0.793 251 P CB 0.582 32.271 31.700 -0.019 0.000 0.977 252 V N -0.336 119.562 119.914 -0.028 0.000 2.891 252 V HA 0.641 4.761 4.120 -0.000 0.000 0.304 252 V C -0.771 175.259 176.094 -0.107 0.000 1.171 252 V CA -0.635 61.632 62.300 -0.055 0.000 0.943 252 V CB 1.460 33.261 31.823 -0.038 0.000 1.037 252 V HN 0.359 nan 8.190 nan 0.000 0.427 253 L N 1.480 122.603 121.223 -0.166 0.000 2.357 253 L HA 0.749 5.089 4.340 -0.000 0.000 0.244 253 L C -1.007 175.709 176.870 -0.257 0.000 1.115 253 L CA -0.343 54.329 54.840 -0.279 0.000 0.919 253 L CB 2.568 44.356 42.059 -0.452 0.000 1.532 253 L HN 0.689 nan 8.230 nan 0.000 0.416 254 Q N 1.207 120.810 119.800 -0.328 0.000 3.300 254 Q HA 0.315 4.655 4.340 -0.000 0.000 0.271 254 Q C -1.376 174.521 176.000 -0.172 0.000 0.926 254 Q CA -0.256 55.424 55.803 -0.205 0.000 0.788 254 Q CB 0.721 29.364 28.738 -0.159 0.000 1.385 254 Q HN 0.294 nan 8.270 nan 0.000 0.424 255 F N 1.839 121.720 119.950 -0.116 0.000 2.495 255 F HA 0.120 4.647 4.527 -0.000 0.000 0.339 255 F C 0.867 176.597 175.800 -0.117 0.000 1.226 255 F CA 0.829 58.755 58.000 -0.123 0.000 0.998 255 F CB 0.138 39.075 39.000 -0.105 0.000 1.180 255 F HN 0.031 nan 8.300 nan 0.000 0.611 256 T N 2.689 117.282 114.554 0.065 0.000 3.225 256 T HA 0.222 4.572 4.350 -0.000 0.000 0.356 256 T C -0.145 174.523 174.700 -0.053 0.000 1.460 256 T CA -0.932 61.165 62.100 -0.004 0.000 1.126 256 T CB 0.518 69.380 68.868 -0.010 0.000 1.321 256 T HN 0.603 nan 8.240 nan 0.000 0.478 257 N N 2.049 120.714 118.700 -0.058 0.000 2.376 257 N HA 0.203 4.943 4.740 -0.000 0.000 0.249 257 N C 0.822 176.308 175.510 -0.040 0.000 1.140 257 N CA -0.374 52.637 53.050 -0.066 0.000 0.870 257 N CB 0.582 39.019 38.487 -0.085 0.000 1.124 257 N HN 0.425 nan 8.380 nan 0.000 0.505 258 T N -1.038 113.494 114.554 -0.036 0.000 3.053 258 T HA 0.162 4.512 4.350 -0.000 0.000 0.236 258 T C 0.550 175.237 174.700 -0.022 0.000 0.996 258 T CA 0.082 62.167 62.100 -0.026 0.000 1.185 258 T CB 0.338 69.191 68.868 -0.024 0.000 0.892 258 T HN 0.108 nan 8.240 nan 0.000 0.432 259 L N 2.502 123.708 121.223 -0.029 0.000 2.344 259 L HA 0.476 4.816 4.340 -0.000 0.000 0.272 259 L C -0.140 176.711 176.870 -0.032 0.000 1.035 259 L CA -0.284 54.540 54.840 -0.026 0.000 0.807 259 L CB 1.691 43.736 42.059 -0.024 0.000 1.237 259 L HN 0.343 nan 8.230 nan 0.000 0.442 260 T N 0.062 114.604 114.554 -0.020 0.000 2.943 260 T HA 0.556 4.906 4.350 -0.000 0.000 0.284 260 T C -0.173 174.513 174.700 -0.022 0.000 1.015 260 T CA -0.548 61.543 62.100 -0.015 0.000 1.042 260 T CB 1.778 70.648 68.868 0.003 0.000 1.055 260 T HN 0.527 nan 8.240 nan 0.000 0.500 261 T N 1.471 116.012 114.554 -0.021 0.000 2.861 261 T HA 0.533 4.883 4.350 -0.000 0.000 0.287 261 T C -0.212 174.505 174.700 0.028 0.000 1.003 261 T CA -0.771 61.318 62.100 -0.020 0.000 0.977 261 T CB 1.319 70.138 68.868 -0.082 0.000 0.996 261 T HN 0.552 nan 8.240 nan 0.000 0.448 262 V N 3.523 123.464 119.914 0.045 0.000 2.406 262 V HA 0.319 4.439 4.120 -0.000 0.000 0.272 262 V C 1.033 177.196 176.094 0.116 0.000 1.043 262 V CA -0.595 61.748 62.300 0.072 0.000 0.915 262 V CB 0.406 32.264 31.823 0.058 0.000 0.988 262 V HN 0.855 nan 8.190 nan 0.000 0.466 263 L N 3.500 124.797 121.223 0.124 0.000 2.599 263 L HA 0.183 4.523 4.340 -0.000 0.000 0.230 263 L C 0.764 177.690 176.870 0.093 0.000 1.141 263 L CA 0.133 55.060 54.840 0.145 0.000 0.877 263 L CB -0.215 41.929 42.059 0.142 0.000 1.009 263 L HN 0.463 nan 8.230 nan 0.000 0.447 264 L N 1.729 122.997 121.223 0.075 0.000 2.540 264 L HA -0.051 4.289 4.340 -0.000 0.000 0.276 264 L C 0.828 177.724 176.870 0.044 0.000 1.212 264 L CA 0.601 55.473 54.840 0.054 0.000 0.893 264 L CB 0.030 42.117 42.059 0.047 0.000 1.138 264 L HN 0.186 nan 8.230 nan 0.000 0.491 265 D N 2.723 123.142 120.400 0.031 0.000 2.414 265 D HA -0.007 4.633 4.640 -0.000 0.000 0.259 265 D C 0.675 176.982 176.300 0.012 0.000 1.269 265 D CA -0.141 53.867 54.000 0.015 0.000 1.028 265 D CB 0.545 41.349 40.800 0.007 0.000 1.093 265 D HN 0.638 nan 8.370 nan 0.000 0.545 266 E N -0.713 119.489 120.200 0.002 0.000 2.160 266 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 266 E C 1.002 177.606 176.600 0.008 0.000 0.991 266 E CA 0.941 57.343 56.400 0.003 0.000 0.810 266 E CB -0.050 29.647 29.700 -0.005 0.000 0.742 266 E HN 0.393 nan 8.360 nan 0.000 0.466 267 N N -0.352 118.354 118.700 0.009 0.000 2.235 267 N HA 0.071 4.811 4.740 -0.000 0.000 0.209 267 N C 0.127 175.648 175.510 0.018 0.000 1.122 267 N CA 0.699 53.757 53.050 0.012 0.000 0.845 267 N CB 1.573 40.067 38.487 0.011 0.000 1.004 267 N HN 0.175 nan 8.380 nan 0.000 0.499 268 G N 0.615 109.427 108.800 0.021 0.000 2.401 268 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.283 268 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.283 268 G C 0.349 175.268 174.900 0.031 0.000 1.117 268 G CA 0.202 45.318 45.100 0.027 0.000 1.051 268 G HN 0.191 nan 8.290 nan 0.000 0.510 269 V N -0.242 119.690 119.914 0.030 0.000 3.102 269 V HA 0.745 4.865 4.120 -0.000 0.000 0.225 269 V C 1.938 178.055 176.094 0.038 0.000 1.301 269 V CA 1.745 64.064 62.300 0.033 0.000 1.308 269 V CB 0.015 31.853 31.823 0.025 0.000 1.129 269 V HN 2.441 nan 8.190 nan 0.000 0.502 270 G N 1.369 110.191 108.800 0.036 0.000 2.829 270 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.628 270 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.628 270 G C -3.027 171.899 174.900 0.043 0.000 1.412 270 G CA -0.484 44.644 45.100 0.047 0.000 0.864 270 G HN 0.346 nan 8.290 nan 0.000 0.544 271 P HA 0.552 nan 4.420 nan 0.000 0.274 271 P C -0.436 176.904 177.300 0.066 0.000 1.231 271 P CA -0.317 62.813 63.100 0.051 0.000 0.790 271 P CB 0.641 32.377 31.700 0.060 0.000 0.951 272 L N 2.104 123.364 121.223 0.062 0.000 2.372 272 L HA 0.344 4.684 4.340 -0.000 0.000 0.273 272 L C -0.515 176.413 176.870 0.096 0.000 0.989 272 L CA -0.371 54.515 54.840 0.077 0.000 0.841 272 L CB 0.742 42.827 42.059 0.043 0.000 1.225 272 L HN 0.346 nan 8.230 nan 0.000 0.414 273 C N 3.043 122.433 119.300 0.148 0.000 2.709 273 C HA 0.145 4.605 4.460 -0.000 0.000 0.388 273 C C 1.135 176.226 174.990 0.167 0.000 1.307 273 C CA -0.797 58.330 59.018 0.181 0.000 1.466 273 C CB -2.053 25.819 27.740 0.219 0.000 2.218 273 C HN 0.781 nan 8.230 nan 0.000 0.599 274 K N 3.420 123.905 120.400 0.142 0.000 2.202 274 K HA 0.566 4.886 4.320 -0.000 0.000 0.264 274 K C 0.780 177.493 176.600 0.190 0.000 1.010 274 K CA 0.419 56.783 56.287 0.129 0.000 0.940 274 K CB 0.477 33.027 32.500 0.084 0.000 0.983 274 K HN 0.905 nan 8.250 nan 0.000 0.475 275 G N 1.437 110.361 108.800 0.206 0.000 2.598 275 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.244 275 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.244 275 G C -0.430 174.577 174.900 0.179 0.000 1.302 275 G CA -0.037 45.178 45.100 0.191 0.000 0.903 275 G HN 0.682 nan 8.290 nan 0.000 0.575 276 E N 0.788 121.075 120.200 0.146 0.000 2.869 276 E HA 0.403 4.753 4.350 -0.000 0.000 0.207 276 E C 0.840 177.525 176.600 0.142 0.000 0.986 276 E CA 0.558 57.068 56.400 0.183 0.000 1.131 276 E CB 0.515 30.320 29.700 0.175 0.000 1.098 276 E HN 0.934 nan 8.360 nan 0.000 0.459 277 G N 0.546 109.405 108.800 0.099 0.000 2.410 277 G HA2 0.604 4.564 3.960 -0.000 0.000 0.330 277 G HA3 0.604 4.564 3.960 -0.000 0.000 0.330 277 G C -0.911 173.995 174.900 0.010 0.000 1.142 277 G CA -0.500 44.564 45.100 -0.060 0.000 0.902 277 G HN 0.148 nan 8.290 nan 0.000 0.491 278 L N 1.107 122.235 121.223 -0.158 0.000 2.356 278 L HA 0.542 4.882 4.340 -0.000 0.000 0.277 278 L C -1.353 175.453 176.870 -0.107 0.000 0.996 278 L CA -1.044 53.771 54.840 -0.042 0.000 0.822 278 L CB 1.489 43.469 42.059 -0.132 0.000 1.256 278 L HN 0.518 nan 8.230 nan 0.000 0.413 279 Y N 5.391 125.643 120.300 -0.080 0.000 2.356 279 Y HA 0.437 4.987 4.550 -0.000 0.000 0.334 279 Y C -0.193 175.645 175.900 -0.105 0.000 0.958 279 Y CA -0.599 57.444 58.100 -0.094 0.000 1.196 279 Y CB 1.291 39.705 38.460 -0.076 0.000 1.137 279 Y HN 0.340 nan 8.280 nan 0.000 0.485 280 L N 4.128 125.316 121.223 -0.058 0.000 2.295 280 L HA 0.704 5.044 4.340 -0.000 0.000 0.285 280 L C -0.395 176.440 176.870 -0.059 0.000 1.035 280 L CA -0.453 54.259 54.840 -0.214 0.000 0.806 280 L CB 1.331 42.992 42.059 -0.662 0.000 1.214 280 L HN 0.606 nan 8.230 nan 0.000 0.426 281 S N 1.899 117.676 115.700 0.128 0.000 2.546 281 S HA 0.779 5.249 4.470 -0.000 0.000 0.272 281 S C -0.734 174.190 174.600 0.539 0.000 1.140 281 S CA -0.912 57.455 58.200 0.277 0.000 0.920 281 S CB 1.871 65.170 63.200 0.165 0.000 1.083 281 S HN 0.906 nan 8.310 nan 0.000 0.476 282 C N 0.007 119.659 119.300 0.587 0.000 3.259 282 C HA 0.933 5.393 4.460 -0.000 0.000 0.344 282 C C -1.511 173.602 174.990 0.205 0.000 1.401 282 C CA -0.457 58.879 59.018 0.531 0.000 1.219 282 C CB 0.563 28.668 27.740 0.608 0.000 1.521 282 C HN 1.673 nan 8.230 nan 0.000 0.455 283 V N -1.613 118.314 119.914 0.022 0.000 3.000 283 V HA 0.753 4.873 4.120 -0.000 0.000 0.300 283 V C -1.702 174.403 176.094 0.019 0.000 1.251 283 V CA -0.210 62.021 62.300 -0.115 0.000 0.972 283 V CB 2.140 33.712 31.823 -0.417 0.000 1.065 283 V HN 0.981 nan 8.190 nan 0.000 0.431 284 D N 3.771 124.193 120.400 0.037 0.000 2.552 284 D HA 0.409 5.049 4.640 -0.000 0.000 0.285 284 D C -0.545 175.783 176.300 0.048 0.000 1.206 284 D CA -0.062 54.059 54.000 0.202 0.000 0.826 284 D CB 1.742 42.667 40.800 0.209 0.000 1.179 284 D HN 0.522 nan 8.370 nan 0.000 0.508 285 I N 1.395 121.907 120.570 -0.098 0.000 2.556 285 I HA 0.039 4.209 4.170 -0.000 0.000 0.284 285 I C 1.831 177.882 176.117 -0.111 0.000 1.114 285 I CA 0.240 61.467 61.300 -0.121 0.000 1.418 285 I CB 0.812 38.764 38.000 -0.080 0.000 1.394 285 I HN 0.158 nan 8.210 nan 0.000 0.552 286 M N 3.421 123.002 119.600 -0.033 0.000 2.514 286 M HA 0.367 4.847 4.480 -0.000 0.000 0.258 286 M C 0.819 177.063 176.300 -0.093 0.000 1.159 286 M CA 0.337 55.629 55.300 -0.014 0.000 1.116 286 M CB -0.063 32.538 32.600 0.003 0.000 1.333 286 M HN 0.843 nan 8.290 nan 0.000 0.487 287 G N 0.432 109.155 108.800 -0.128 0.000 2.347 287 G HA2 0.042 4.002 3.960 -0.000 0.000 0.341 287 G HA3 0.042 4.002 3.960 -0.000 0.000 0.341 287 G C -2.186 172.552 174.900 -0.269 0.000 1.287 287 G CA -1.053 43.747 45.100 -0.500 0.000 0.984 287 G HN 0.317 nan 8.290 nan 0.000 0.526 288 W N -0.124 121.312 121.300 0.227 0.000 2.449 288 W HA 0.827 5.487 4.660 0.000 0.000 0.331 288 W C 0.505 177.160 176.519 0.227 0.000 1.119 288 W CA -1.325 56.182 57.345 0.271 0.000 1.240 288 W CB 0.863 30.402 29.460 0.132 0.000 1.251 288 W HN 0.590 nan 8.180 nan 0.000 0.576 289 R N 1.954 122.733 120.500 0.466 0.000 2.265 289 R HA 0.538 4.878 4.340 -0.000 0.000 0.319 289 R C -1.465 174.852 176.300 0.027 0.000 1.006 289 R CA -0.540 55.712 56.100 0.253 0.000 0.880 289 R CB 1.012 31.491 30.300 0.298 0.000 1.077 289 R HN 0.595 nan 8.270 nan 0.000 0.454 290 V N 3.747 123.616 119.914 -0.076 0.000 2.347 290 V HA 0.204 4.324 4.120 -0.000 0.000 0.280 290 V C 0.355 176.327 176.094 -0.204 0.000 1.021 290 V CA -0.966 61.166 62.300 -0.280 0.000 0.847 290 V CB 1.116 32.722 31.823 -0.362 0.000 0.990 290 V HN 0.904 nan 8.190 nan 0.000 0.444 291 T N 2.293 116.708 114.554 -0.232 0.000 2.888 291 T HA 0.149 4.499 4.350 -0.000 0.000 0.301 291 T C 0.381 175.059 174.700 -0.037 0.000 1.001 291 T CA -0.535 61.515 62.100 -0.083 0.000 1.147 291 T CB 0.662 69.516 68.868 -0.024 0.000 0.931 291 T HN 0.638 nan 8.240 nan 0.000 0.541 292 R N 3.523 124.045 120.500 0.036 0.000 2.429 292 R HA 0.130 4.470 4.340 -0.000 0.000 0.302 292 R C 0.226 176.472 176.300 -0.089 0.000 1.268 292 R CA 0.036 56.139 56.100 0.004 0.000 1.090 292 R CB -0.926 29.484 30.300 0.183 0.000 1.102 292 R HN 1.017 nan 8.270 nan 0.000 0.522 293 N N 2.392 121.045 118.700 -0.077 0.000 2.587 293 N HA -0.083 4.657 4.740 -0.000 0.000 0.341 293 N C -0.722 174.761 175.510 -0.045 0.000 0.585 293 N CA 0.008 53.029 53.050 -0.047 0.000 1.401 293 N CB 0.351 38.863 38.487 0.041 0.000 1.700 293 N HN 0.285 nan 8.380 nan 0.000 1.698 294 Y N 0.665 120.926 120.300 -0.065 0.000 3.284 294 Y HA 0.428 4.978 4.550 -0.000 0.000 0.262 294 Y C -0.793 175.061 175.900 -0.076 0.000 2.194 294 Y CA -0.094 57.972 58.100 -0.057 0.000 0.905 294 Y CB 0.866 39.303 38.460 -0.039 0.000 1.600 294 Y HN -0.035 nan 8.280 nan 0.000 0.532 295 D N 0.513 121.086 120.400 0.288 0.000 2.886 295 D HA 0.326 4.966 4.640 -0.000 0.000 0.355 295 D C -1.581 174.771 176.300 0.086 0.000 1.274 295 D CA 0.186 54.235 54.000 0.081 0.000 0.836 295 D CB 0.630 41.502 40.800 0.121 0.000 1.109 295 D HN 0.088 nan 8.370 nan 0.000 0.488 296 V N 1.667 121.596 119.914 0.026 0.000 2.320 296 V HA 0.328 4.448 4.120 -0.000 0.000 0.265 296 V C 0.164 176.199 176.094 -0.097 0.000 1.048 296 V CA -0.737 61.584 62.300 0.036 0.000 0.865 296 V CB -0.044 31.819 31.823 0.067 0.000 1.043 296 V HN 0.249 nan 8.190 nan 0.000 0.474 297 H N 3.689 122.658 119.070 -0.168 0.000 2.505 297 H HA 0.724 5.280 4.556 -0.000 0.000 0.351 297 H C -0.031 175.277 175.328 -0.032 0.000 1.151 297 H CA -0.365 55.582 56.048 -0.168 0.000 1.339 297 H CB 0.828 30.428 29.762 -0.271 0.000 1.483 297 H HN 0.972 nan 8.280 nan 0.000 0.558 298 H N -1.376 117.933 119.070 0.399 0.000 3.278 298 H HA 0.151 4.707 4.556 -0.000 0.000 0.326 298 H C -1.351 174.416 175.328 0.732 0.000 1.113 298 H CA -1.410 54.944 56.048 0.510 0.000 1.553 298 H CB -0.893 29.041 29.762 0.286 0.000 1.997 298 H HN 0.880 nan 8.280 nan 0.000 0.456 299 W N 2.824 124.510 121.300 0.644 0.000 2.150 299 W HA 0.615 5.275 4.660 0.000 0.000 0.341 299 W C -0.260 176.581 176.519 0.538 0.000 1.276 299 W CA -1.237 56.452 57.345 0.573 0.000 1.238 299 W CB 0.872 30.594 29.460 0.438 0.000 1.128 299 W HN 0.671 nan 8.180 nan 0.000 0.581 300 R N 1.569 122.401 120.500 0.553 0.000 2.787 300 R HA 0.749 5.089 4.340 -0.000 0.000 0.271 300 R C -0.464 175.765 176.300 -0.118 0.000 0.993 300 R CA -0.569 55.517 56.100 -0.023 0.000 0.993 300 R CB 1.769 31.904 30.300 -0.274 0.000 1.155 300 R HN 0.867 nan 8.270 nan 0.000 0.486 301 G N 2.028 110.664 108.800 -0.273 0.000 2.690 301 G HA2 0.559 4.519 3.960 -0.000 0.000 0.291 301 G HA3 0.559 4.519 3.960 -0.000 0.000 0.291 301 G C -1.660 173.098 174.900 -0.236 0.000 1.403 301 G CA -0.742 44.240 45.100 -0.195 0.000 0.864 301 G HN 0.435 nan 8.290 nan 0.000 0.480 302 L N 0.781 121.915 121.223 -0.149 0.000 2.301 302 L HA 0.632 4.972 4.340 -0.000 0.000 0.264 302 L C -2.088 174.726 176.870 -0.094 0.000 1.016 302 L CA -2.208 52.542 54.840 -0.149 0.000 0.821 302 L CB 3.086 45.060 42.059 -0.141 0.000 1.346 302 L HN 0.328 nan 8.230 nan 0.000 0.429 303 P HA 0.267 nan 4.420 nan 0.000 0.284 303 P C -1.599 175.714 177.300 0.020 0.000 1.258 303 P CA -0.657 62.450 63.100 0.012 0.000 0.824 303 P CB 1.710 33.415 31.700 0.008 0.000 1.038 304 R N 2.181 122.753 120.500 0.119 0.000 2.599 304 R HA 0.390 4.730 4.340 -0.000 0.000 0.295 304 R C -1.284 175.144 176.300 0.214 0.000 0.963 304 R CA -0.767 55.352 56.100 0.031 0.000 0.883 304 R CB 1.048 31.282 30.300 -0.110 0.000 1.171 304 R HN 0.517 nan 8.270 nan 0.000 0.450 305 Y N 4.238 124.478 120.300 -0.100 0.000 2.453 305 Y HA 0.599 5.149 4.550 -0.000 0.000 0.326 305 Y C -1.708 174.083 175.900 -0.183 0.000 1.186 305 Y CA -0.727 57.426 58.100 0.088 0.000 1.200 305 Y CB 1.057 39.532 38.460 0.024 0.000 1.247 305 Y HN 0.494 nan 8.280 nan 0.000 0.482 306 F N 3.117 122.729 119.950 -0.563 0.000 2.591 306 F HA 0.442 4.969 4.527 -0.000 0.000 0.309 306 F C -0.710 174.563 175.800 -0.878 0.000 1.098 306 F CA -1.202 56.481 58.000 -0.528 0.000 0.937 306 F CB 2.198 41.057 39.000 -0.236 0.000 1.250 306 F HN 0.404 nan 8.300 nan 0.000 0.447 307 K N 4.014 124.214 120.400 -0.333 0.000 2.626 307 K HA 0.569 4.889 4.320 -0.000 0.000 0.223 307 K C -1.677 174.885 176.600 -0.063 0.000 0.992 307 K CA -0.396 55.747 56.287 -0.240 0.000 1.024 307 K CB 0.631 33.077 32.500 -0.089 0.000 1.225 307 K HN 0.568 nan 8.250 nan 0.000 0.498 308 I N 2.200 122.734 120.570 -0.061 0.000 2.440 308 I HA 0.218 4.388 4.170 -0.000 0.000 0.294 308 I C 0.168 176.256 176.117 -0.049 0.000 0.995 308 I CA -0.216 61.067 61.300 -0.029 0.000 1.306 308 I CB 1.796 39.771 38.000 -0.042 0.000 1.407 308 I HN 0.375 nan 8.210 nan 0.000 0.501 309 T N 6.514 121.056 114.554 -0.021 0.000 2.791 309 T HA 0.768 5.119 4.350 -0.000 0.000 0.288 309 T C -0.498 174.192 174.700 -0.016 0.000 0.999 309 T CA -0.585 61.503 62.100 -0.020 0.000 0.952 309 T CB 0.557 69.429 68.868 0.007 0.000 0.938 309 T HN 0.154 nan 8.240 nan 0.000 0.444 310 L N 3.092 124.287 121.223 -0.047 0.000 2.354 310 L HA 0.767 5.107 4.340 -0.000 0.000 0.269 310 L C 0.286 177.207 176.870 0.085 0.000 1.005 310 L CA -1.020 53.812 54.840 -0.013 0.000 0.819 310 L CB 1.781 43.743 42.059 -0.162 0.000 1.311 310 L HN 0.681 nan 8.230 nan 0.000 0.423 311 R N 0.279 120.888 120.500 0.181 0.000 2.960 311 R HA 0.778 5.118 4.340 -0.000 0.000 0.249 311 R C -1.187 175.265 176.300 0.253 0.000 1.192 311 R CA -1.102 55.120 56.100 0.203 0.000 1.035 311 R CB 1.474 31.832 30.300 0.098 0.000 1.234 311 R HN 0.388 nan 8.270 nan 0.000 0.493 312 K N 1.052 121.486 120.400 0.056 0.000 2.263 312 K HA 0.334 4.654 4.320 -0.000 0.000 0.272 312 K C -0.577 175.861 176.600 -0.272 0.000 1.033 312 K CA -0.667 55.495 56.287 -0.209 0.000 0.884 312 K CB 1.826 34.088 32.500 -0.396 0.000 1.107 312 K HN 0.355 nan 8.250 nan 0.000 0.460 313 R N 2.543 122.881 120.500 -0.271 0.000 2.711 313 R HA 0.323 4.663 4.340 -0.000 0.000 0.284 313 R C -1.196 174.953 176.300 -0.251 0.000 0.968 313 R CA -0.735 55.239 56.100 -0.210 0.000 0.924 313 R CB 1.106 31.389 30.300 -0.029 0.000 1.162 313 R HN 0.602 nan 8.270 nan 0.000 0.465 314 W N 4.012 125.286 121.300 -0.043 0.000 2.316 314 W HA 0.348 5.008 4.660 0.000 0.000 0.311 314 W C 0.271 176.763 176.519 -0.045 0.000 1.217 314 W CA -0.431 56.884 57.345 -0.051 0.000 1.199 314 W CB 1.456 30.892 29.460 -0.040 0.000 1.202 314 W HN 0.296 nan 8.180 nan 0.000 0.528 315 V N 0.124 120.205 119.914 0.278 0.000 3.156 315 V HA 0.589 4.709 4.120 -0.000 0.000 0.310 315 V C -0.654 175.493 176.094 0.088 0.000 1.234 315 V CA -1.850 60.521 62.300 0.119 0.000 1.065 315 V CB 1.790 33.637 31.823 0.039 0.000 1.088 315 V HN 0.418 nan 8.190 nan 0.000 0.451 316 K N 1.885 122.301 120.400 0.026 0.000 2.118 316 K HA 0.321 4.641 4.320 -0.000 0.000 0.264 316 K C 0.007 176.592 176.600 -0.024 0.000 1.000 316 K CA -0.525 55.763 56.287 0.001 0.000 0.929 316 K CB 0.688 33.182 32.500 -0.010 0.000 1.021 316 K HN 0.845 nan 8.250 nan 0.000 0.463 317 N N 2.996 121.680 118.700 -0.027 0.000 2.492 317 N HA 0.001 4.741 4.740 -0.000 0.000 0.262 317 N C -1.689 173.769 175.510 -0.088 0.000 1.202 317 N CA -0.841 52.172 53.050 -0.062 0.000 0.926 317 N CB 0.868 39.342 38.487 -0.021 0.000 1.078 317 N HN 0.424 nan 8.380 nan 0.000 0.454 318 P HA 0.084 nan 4.420 nan 0.000 0.229 318 P C -0.470 176.821 177.300 -0.015 0.000 1.160 318 P CA 0.400 63.399 63.100 -0.168 0.000 0.855 318 P CB 0.290 31.792 31.700 -0.329 0.000 0.898 319 Y N 2.530 122.840 120.300 0.016 0.000 2.613 319 Y HA 0.329 4.879 4.550 0.000 0.000 0.354 319 Y C -2.110 173.797 175.900 0.012 0.000 1.063 319 Y CA -3.710 54.398 58.100 0.013 0.000 1.384 319 Y CB -0.827 37.641 38.460 0.012 0.000 1.199 319 Y HN 0.033 nan 8.280 nan 0.000 0.517 320 P HA 0.163 nan 4.420 nan 0.000 0.284 320 P C 0.366 177.710 177.300 0.073 0.000 1.343 320 P CA -0.358 62.798 63.100 0.094 0.000 0.826 320 P CB 0.874 32.618 31.700 0.072 0.000 0.956 321 M N 2.650 122.287 119.600 0.061 0.000 2.346 321 M HA -0.155 4.325 4.480 -0.000 0.000 0.263 321 M C 1.895 178.205 176.300 0.017 0.000 1.064 321 M CA 1.500 56.819 55.300 0.032 0.000 1.083 321 M CB -1.301 31.313 32.600 0.025 0.000 1.399 321 M HN 0.380 nan 8.290 nan 0.000 0.435 322 A N -1.312 121.524 122.820 0.027 0.000 1.933 322 A HA -0.169 4.151 4.320 -0.000 0.000 0.218 322 A C 2.384 179.989 177.584 0.035 0.000 1.175 322 A CA 2.047 54.100 52.037 0.026 0.000 0.628 322 A CB -1.028 17.998 19.000 0.045 0.000 0.814 322 A HN 0.476 nan 8.150 nan 0.000 0.444 323 S N -0.290 115.434 115.700 0.041 0.000 2.351 323 S HA -0.153 4.317 4.470 -0.000 0.000 0.220 323 S C 1.974 176.587 174.600 0.021 0.000 1.035 323 S CA 1.551 59.776 58.200 0.041 0.000 1.031 323 S CB -0.569 62.657 63.200 0.042 0.000 0.928 323 S HN 0.485 nan 8.310 nan 0.000 0.433 324 L N 0.426 121.651 121.223 0.004 0.000 1.978 324 L HA -0.160 4.180 4.340 -0.000 0.000 0.218 324 L C 2.547 179.402 176.870 -0.025 0.000 1.075 324 L CA 1.745 56.575 54.840 -0.017 0.000 0.767 324 L CB -0.577 41.467 42.059 -0.025 0.000 0.890 324 L HN 0.390 nan 8.230 nan 0.000 0.434 325 I N -0.973 119.575 120.570 -0.036 0.000 2.394 325 I HA -0.202 3.968 4.170 -0.000 0.000 0.251 325 I C 2.089 178.141 176.117 -0.108 0.000 1.136 325 I CA 1.424 62.677 61.300 -0.078 0.000 1.425 325 I CB -0.042 37.903 38.000 -0.092 0.000 1.079 325 I HN 0.044 nan 8.210 nan 0.000 0.425 326 S N -1.059 114.619 115.700 -0.038 0.000 2.634 326 S HA 0.072 4.542 4.470 -0.000 0.000 0.221 326 S C 1.840 176.507 174.600 0.111 0.000 0.952 326 S CA 0.597 58.830 58.200 0.056 0.000 0.930 326 S CB -0.177 63.154 63.200 0.217 0.000 0.780 326 S HN 0.479 nan 8.310 nan 0.000 0.498 327 S N 1.187 116.914 115.700 0.044 0.000 2.436 327 S HA 0.097 4.567 4.470 -0.000 0.000 0.228 327 S C 1.251 175.878 174.600 0.045 0.000 1.014 327 S CA 0.563 58.787 58.200 0.040 0.000 0.950 327 S CB -0.065 63.142 63.200 0.010 0.000 0.784 327 S HN 0.332 nan 8.310 nan 0.000 0.504 328 L N 0.756 121.991 121.223 0.020 0.000 2.591 328 L HA 0.365 4.705 4.340 -0.000 0.000 0.228 328 L C 1.245 178.153 176.870 0.064 0.000 1.133 328 L CA 0.560 55.405 54.840 0.007 0.000 0.880 328 L CB -0.656 41.371 42.059 -0.053 0.000 1.033 328 L HN 0.298 nan 8.230 nan 0.000 0.450 329 F N -0.169 119.780 119.950 -0.001 0.000 2.387 329 F HA 0.064 4.591 4.527 -0.000 0.000 0.294 329 F C 1.942 177.741 175.800 -0.001 0.000 1.093 329 F CA 0.409 58.408 58.000 -0.001 0.000 1.420 329 F CB -0.384 38.617 39.000 0.000 0.000 1.086 329 F HN 0.186 nan 8.300 nan 0.000 0.531 330 N N -0.095 118.728 118.700 0.204 0.000 2.413 330 N HA -0.026 4.714 4.740 -0.000 0.000 0.207 330 N C 0.152 175.709 175.510 0.078 0.000 1.206 330 N CA 0.232 53.340 53.050 0.097 0.000 0.832 330 N CB -0.421 38.104 38.487 0.064 0.000 1.037 330 N HN 0.262 nan 8.380 nan 0.000 0.467 331 N N -1.091 117.669 118.700 0.101 0.000 2.160 331 N HA 0.136 4.876 4.740 -0.000 0.000 0.226 331 N C 0.135 175.690 175.510 0.075 0.000 1.256 331 N CA -0.118 52.972 53.050 0.067 0.000 0.890 331 N CB 0.564 39.080 38.487 0.048 0.000 1.116 331 N HN 0.141 nan 8.380 nan 0.000 0.517 332 M N 0.688 120.358 119.600 0.116 0.000 2.371 332 M HA 0.343 4.823 4.480 -0.000 0.000 0.246 332 M C -0.537 175.802 176.300 0.066 0.000 1.103 332 M CA 0.281 55.651 55.300 0.117 0.000 1.010 332 M CB -0.704 32.034 32.600 0.229 0.000 1.457 332 M HN 0.087 nan 8.290 nan 0.000 0.486 333 L N -2.324 118.930 121.223 0.050 0.000 2.506 333 L HA 0.786 5.126 4.340 -0.000 0.000 0.257 333 L C -3.103 173.780 176.870 0.022 0.000 0.964 333 L CA -1.411 53.441 54.840 0.021 0.000 0.836 333 L CB 1.648 43.707 42.059 -0.001 0.000 1.384 333 L HN -0.254 nan 8.230 nan 0.000 0.410 334 P HA 0.255 nan 4.420 nan 0.000 0.323 334 P C -1.177 176.129 177.300 0.009 0.000 1.309 334 P CA -0.189 62.919 63.100 0.012 0.000 0.739 334 P CB 0.604 32.309 31.700 0.009 0.000 1.454 335 Q N -0.101 119.703 119.800 0.008 0.000 2.278 335 Q HA 0.417 4.757 4.340 -0.000 0.000 0.257 335 Q C -0.688 175.314 176.000 0.003 0.000 0.928 335 Q CA -0.525 55.282 55.803 0.006 0.000 0.932 335 Q CB 1.137 29.879 28.738 0.007 0.000 1.221 335 Q HN 0.217 nan 8.270 nan 0.000 0.434 336 V N 0.932 120.846 119.914 0.001 0.000 2.555 336 V HA 0.400 4.520 4.120 -0.000 0.000 0.302 336 V C 0.593 176.686 176.094 -0.001 0.000 1.038 336 V CA -0.755 61.545 62.300 -0.001 0.000 0.887 336 V CB 1.660 33.480 31.823 -0.005 0.000 0.991 336 V HN 0.684 nan 8.190 nan 0.000 0.434 337 Q N 3.494 123.294 119.800 -0.000 0.000 1.775 337 Q HA 0.496 4.836 4.340 -0.000 0.000 0.303 337 Q C 1.087 177.087 176.000 -0.001 0.000 0.954 337 Q CA 0.806 56.608 55.803 -0.000 0.000 0.883 337 Q CB -0.359 28.380 28.738 0.001 0.000 0.916 337 Q HN 1.591 nan 8.270 nan 0.000 0.427 338 G N 0.779 109.578 108.800 -0.002 0.000 2.764 338 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.686 338 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.686 338 G C -0.966 173.932 174.900 -0.002 0.000 1.258 338 G CA -0.530 44.569 45.100 -0.003 0.000 0.846 338 G HN 0.278 nan 8.290 nan 0.000 0.596 339 Q N 1.654 121.452 119.800 -0.002 0.000 2.427 339 Q HA 0.105 4.445 4.340 -0.000 0.000 0.310 339 Q C -1.366 174.633 176.000 -0.002 0.000 1.167 339 Q CA 0.297 56.099 55.803 -0.002 0.000 0.991 339 Q CB 0.294 29.031 28.738 -0.002 0.000 1.287 339 Q HN 0.588 nan 8.270 nan 0.000 0.443 340 P HA -0.031 nan 4.420 nan 0.000 0.265 340 P C -0.703 176.597 177.300 -0.001 0.000 1.222 340 P CA 0.489 63.589 63.100 -0.000 0.000 0.767 340 P CB 0.531 32.231 31.700 0.001 0.000 0.801 341 M N 2.236 121.835 119.600 -0.001 0.000 3.181 341 M HA 0.274 4.754 4.480 -0.000 0.000 0.422 341 M C -0.145 176.155 176.300 -0.000 0.000 1.481 341 M CA -0.019 55.280 55.300 -0.001 0.000 0.783 341 M CB 0.060 32.658 32.600 -0.003 0.000 1.437 341 M HN 0.492 nan 8.290 nan 0.000 0.505 342 E N -0.702 119.499 120.200 0.001 0.000 3.538 342 E HA 0.462 4.812 4.350 -0.000 0.000 0.363 342 E C -0.586 176.015 176.600 0.003 0.000 1.052 342 E CA 0.200 56.601 56.400 0.002 0.000 0.848 342 E CB 0.806 30.507 29.700 0.002 0.000 1.255 342 E HN 0.449 nan 8.360 nan 0.000 0.483 343 G N 3.490 112.292 108.800 0.004 0.000 2.295 343 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.155 343 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.155 343 G C -0.314 174.589 174.900 0.005 0.000 1.307 343 G CA 0.018 45.121 45.100 0.004 0.000 1.140 343 G HN 0.419 nan 8.290 nan 0.000 0.470 344 E N 0.247 120.450 120.200 0.005 0.000 2.562 344 E HA 0.214 4.564 4.350 -0.000 0.000 0.214 344 E C 0.387 176.990 176.600 0.003 0.000 0.979 344 E CA 0.093 56.496 56.400 0.005 0.000 1.002 344 E CB 0.346 30.049 29.700 0.006 0.000 1.048 344 E HN 0.320 nan 8.360 nan 0.000 0.488 345 N N -0.299 118.403 118.700 0.003 0.000 2.184 345 N HA 0.024 4.764 4.740 -0.000 0.000 0.234 345 N C -0.920 174.591 175.510 0.001 0.000 1.282 345 N CA -0.080 52.971 53.050 0.002 0.000 0.877 345 N CB 1.196 39.685 38.487 0.002 0.000 1.184 345 N HN -0.168 nan 8.380 nan 0.000 0.510 346 T N 1.826 116.381 114.554 0.001 0.000 2.656 346 T HA -0.108 4.242 4.350 -0.000 0.000 0.263 346 T C 0.912 175.612 174.700 -0.000 0.000 1.017 346 T CA 0.660 62.761 62.100 0.001 0.000 1.216 346 T CB 0.150 69.019 68.868 0.001 0.000 0.989 346 T HN 0.260 nan 8.240 nan 0.000 0.507 347 Q N 1.507 121.307 119.800 -0.001 0.000 2.265 347 Q HA 0.117 4.457 4.340 -0.000 0.000 0.217 347 Q C 0.008 176.007 176.000 -0.001 0.000 0.916 347 Q CA -0.034 55.768 55.803 -0.001 0.000 0.948 347 Q CB 0.119 28.856 28.738 -0.002 0.000 1.020 347 Q HN 0.429 nan 8.270 nan 0.000 0.462 348 V N 2.062 121.975 119.914 -0.001 0.000 2.320 348 V HA 0.020 4.140 4.120 -0.000 0.000 0.265 348 V C 1.002 177.095 176.094 -0.000 0.000 1.048 348 V CA 0.071 62.370 62.300 -0.000 0.000 0.865 348 V CB 0.972 32.795 31.823 0.000 0.000 1.043 348 V HN 0.351 nan 8.190 nan 0.000 0.474 349 E N 2.955 123.155 120.200 -0.000 0.000 2.216 349 E HA 0.059 4.409 4.350 -0.000 0.000 0.192 349 E C 0.302 176.902 176.600 -0.001 0.000 0.988 349 E CA 0.470 56.869 56.400 -0.001 0.000 0.834 349 E CB 0.557 30.256 29.700 -0.001 0.000 0.772 349 E HN 0.544 nan 8.360 nan 0.000 0.479 350 E N -0.193 120.009 120.200 0.003 0.000 2.400 350 E HA 0.272 4.622 4.350 -0.000 0.000 0.285 350 E C -1.711 174.899 176.600 0.016 0.000 1.005 350 E CA -0.361 56.043 56.400 0.006 0.000 0.816 350 E CB 2.422 32.126 29.700 0.007 0.000 1.220 350 E HN -0.168 nan 8.360 nan 0.000 0.426 351 V N 3.975 123.900 119.914 0.018 0.000 2.577 351 V HA 0.634 4.754 4.120 -0.000 0.000 0.303 351 V C -0.533 175.588 176.094 0.044 0.000 1.042 351 V CA -0.792 61.527 62.300 0.032 0.000 0.872 351 V CB 1.851 33.686 31.823 0.021 0.000 0.998 351 V HN 0.502 nan 8.190 nan 0.000 0.423 352 R N 3.737 124.297 120.500 0.101 0.000 2.795 352 R HA 0.875 5.215 4.340 -0.000 0.000 0.275 352 R C -1.626 174.796 176.300 0.203 0.000 0.981 352 R CA -0.799 55.364 56.100 0.104 0.000 0.917 352 R CB 2.029 32.389 30.300 0.099 0.000 1.202 352 R HN 0.344 nan 8.270 nan 0.000 0.469 353 V N 1.893 121.879 119.914 0.120 0.000 2.656 353 V HA 0.512 4.632 4.120 -0.000 0.000 0.307 353 V C -1.350 174.855 176.094 0.186 0.000 1.051 353 V CA -0.820 61.600 62.300 0.200 0.000 0.893 353 V CB 1.562 33.432 31.823 0.079 0.000 0.999 353 V HN 0.586 nan 8.190 nan 0.000 0.426 354 Y N 1.695 121.989 120.300 -0.010 0.000 2.499 354 Y HA 0.616 5.166 4.550 -0.000 0.000 0.347 354 Y C 0.389 176.285 175.900 -0.007 0.000 0.987 354 Y CA -1.296 56.799 58.100 -0.009 0.000 1.044 354 Y CB 2.199 40.654 38.460 -0.008 0.000 1.245 354 Y HN 0.738 nan 8.280 nan 0.000 0.461 355 D N 0.069 120.559 120.400 0.150 0.000 3.018 355 D HA 0.219 4.859 4.640 -0.000 0.000 0.198 355 D C 1.438 177.780 176.300 0.071 0.000 1.474 355 D CA 0.706 54.760 54.000 0.089 0.000 1.429 355 D CB 0.126 40.957 40.800 0.051 0.000 1.289 355 D HN 0.716 nan 8.370 nan 0.000 0.310 356 G N -0.836 107.996 108.800 0.052 0.000 2.711 356 G HA2 0.420 4.380 3.960 -0.000 0.000 0.186 356 G HA3 0.420 4.380 3.960 -0.000 0.000 0.186 356 G C -0.506 174.423 174.900 0.049 0.000 1.635 356 G CA 0.573 45.696 45.100 0.039 0.000 1.065 356 G HN 0.272 nan 8.290 nan 0.000 0.545 357 T N 0.265 114.840 114.554 0.035 0.000 3.435 357 T HA 0.431 4.781 4.350 -0.000 0.000 0.344 357 T C -1.072 173.641 174.700 0.023 0.000 1.211 357 T CA -0.527 61.594 62.100 0.035 0.000 1.104 357 T CB 1.710 70.595 68.868 0.029 0.000 1.196 357 T HN 0.756 nan 8.240 nan 0.000 0.471 358 E N 2.702 122.915 120.200 0.022 0.000 2.359 358 E HA 0.773 5.123 4.350 -0.000 0.000 0.266 358 E C -2.860 173.749 176.600 0.015 0.000 0.920 358 E CA -2.232 54.176 56.400 0.013 0.000 0.788 358 E CB 1.102 30.804 29.700 0.004 0.000 1.279 358 E HN 0.197 nan 8.360 nan 0.000 0.438 359 P HA 0.095 nan 4.420 nan 0.000 0.274 359 P C -0.787 176.520 177.300 0.012 0.000 1.246 359 P CA -0.581 62.526 63.100 0.012 0.000 0.795 359 P CB 0.529 32.234 31.700 0.009 0.000 1.006 360 V N 0.604 120.526 119.914 0.014 0.000 2.673 360 V HA 0.217 4.337 4.120 -0.000 0.000 0.303 360 V C -1.455 174.645 176.094 0.010 0.000 1.046 360 V CA -0.931 61.377 62.300 0.014 0.000 1.126 360 V CB -0.701 31.131 31.823 0.015 0.000 0.934 360 V HN 0.588 nan 8.190 nan 0.000 0.487 361 P HA 0.494 nan 4.420 nan 0.000 0.285 361 P C 0.421 177.726 177.300 0.007 0.000 1.285 361 P CA -0.251 62.852 63.100 0.005 0.000 0.854 361 P CB 1.935 33.633 31.700 -0.003 0.000 1.180 362 G N -0.029 108.777 108.800 0.009 0.000 2.948 362 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.174 362 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.174 362 G C -0.196 174.710 174.900 0.009 0.000 1.839 362 G CA 0.153 45.260 45.100 0.012 0.000 0.908 362 G HN 0.570 nan 8.290 nan 0.000 0.419 363 D N 1.478 121.885 120.400 0.012 0.000 2.363 363 D HA 0.170 4.810 4.640 -0.000 0.000 0.263 363 D C -0.845 175.452 176.300 -0.006 0.000 1.258 363 D CA -1.651 52.352 54.000 0.004 0.000 0.907 363 D CB 1.653 42.458 40.800 0.009 0.000 1.107 363 D HN -0.007 nan 8.370 nan 0.000 0.495 364 P HA -0.004 nan 4.420 nan 0.000 0.221 364 P C -0.204 177.065 177.300 -0.052 0.000 1.155 364 P CA 0.321 63.401 63.100 -0.032 0.000 0.812 364 P CB 0.473 32.154 31.700 -0.031 0.000 0.801 365 D N 0.561 120.931 120.400 -0.051 0.000 2.994 365 D HA 0.154 4.794 4.640 -0.000 0.000 0.240 365 D C 0.297 176.550 176.300 -0.080 0.000 1.195 365 D CA -0.050 53.907 54.000 -0.071 0.000 0.957 365 D CB -0.766 39.997 40.800 -0.063 0.000 1.105 365 D HN 0.004 nan 8.370 nan 0.000 0.477 366 M N 1.385 120.942 119.600 -0.072 0.000 2.219 366 M HA 0.063 4.543 4.480 -0.000 0.000 0.353 366 M C 0.219 176.440 176.300 -0.132 0.000 1.304 366 M CA -0.592 54.666 55.300 -0.069 0.000 1.115 366 M CB 0.393 32.983 32.600 -0.016 0.000 1.664 366 M HN 0.101 nan 8.290 nan 0.000 0.459 367 T N 2.531 116.958 114.554 -0.211 0.000 3.121 367 T HA 0.152 4.502 4.350 -0.000 0.000 0.256 367 T C 0.976 175.541 174.700 -0.226 0.000 0.942 367 T CA -0.486 61.434 62.100 -0.299 0.000 1.158 367 T CB -0.475 68.093 68.868 -0.500 0.000 0.963 367 T HN 0.646 nan 8.240 nan 0.000 0.660 368 R N 1.296 121.693 120.500 -0.173 0.000 2.377 368 R HA 0.053 4.393 4.340 -0.000 0.000 0.207 368 R C -0.440 175.965 176.300 0.176 0.000 1.075 368 R CA 0.367 56.435 56.100 -0.054 0.000 1.035 368 R CB -0.591 29.620 30.300 -0.148 0.000 0.857 368 R HN 0.647 nan 8.270 nan 0.000 0.475 369 Y N -1.286 118.975 120.300 -0.066 0.000 2.360 369 Y HA 0.157 4.707 4.550 -0.000 0.000 0.337 369 Y C 1.553 177.449 175.900 -0.007 0.000 1.039 369 Y CA -1.914 56.169 58.100 -0.028 0.000 1.109 369 Y CB 1.450 39.882 38.460 -0.047 0.000 1.201 369 Y HN -0.345 nan 8.280 nan 0.000 0.458 370 V N 1.554 121.617 119.914 0.249 0.000 2.332 370 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 370 V C 1.407 177.690 176.094 0.315 0.000 1.055 370 V CA 2.376 64.878 62.300 0.337 0.000 1.038 370 V CB -0.602 31.337 31.823 0.194 0.000 0.651 370 V HN 0.798 nan 8.190 nan 0.000 0.450 371 D N 0.836 121.324 120.400 0.147 0.000 2.310 371 D HA -0.182 4.458 4.640 -0.000 0.000 0.212 371 D C 1.720 178.057 176.300 0.062 0.000 0.965 371 D CA 0.547 54.609 54.000 0.102 0.000 0.879 371 D CB -0.479 40.349 40.800 0.047 0.000 0.921 371 D HN 0.394 nan 8.370 nan 0.000 0.510 372 R N 0.115 120.594 120.500 -0.034 0.000 2.404 372 R HA 0.184 4.524 4.340 -0.000 0.000 0.236 372 R C -0.410 175.737 176.300 -0.255 0.000 1.044 372 R CA -0.112 55.902 56.100 -0.144 0.000 1.133 372 R CB -1.011 29.171 30.300 -0.197 0.000 1.142 372 R HN 0.225 nan 8.270 nan 0.000 0.512 373 F N 0.000 119.969 119.950 0.032 0.000 2.286 373 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 373 F CA 0.000 58.013 58.000 0.022 0.000 1.383 373 F CB 0.000 39.013 39.000 0.022 0.000 1.145 373 F HN 0.000 nan 8.300 nan 0.000 0.574