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 1xnv_1_B DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYDVMGSKHL GADLNLAWPT AQIAVMGAQG AVNILHRRTI DATA SEQUENCE ADAGDDAEAT RARLIQEYED ALLNPYTAAE RGYVDAVIMP SDTRRHIVRG DATA SEQUENCE LRQLRTKRES LPPKKHGNIP L 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.245 176.300 -0.092 0.000 2.045 10 D CA 0.000 53.967 54.000 -0.055 0.000 0.868 10 D CB 0.000 40.785 40.800 -0.025 0.000 0.688 11 I N -0.821 119.675 120.570 -0.123 0.000 4.818 11 I HA 0.186 4.356 4.170 -0.000 0.000 0.403 11 I C -0.222 175.830 176.117 -0.108 0.000 0.873 11 I CA 0.385 61.593 61.300 -0.154 0.000 1.509 11 I CB -0.219 37.630 38.000 -0.252 0.000 2.852 11 I HN 0.440 nan 8.210 nan 0.000 0.867 12 H N 0.445 119.509 119.070 -0.010 0.000 2.520 12 H HA 0.405 4.961 4.556 -0.000 0.000 0.284 12 H C 0.308 175.631 175.328 -0.008 0.000 1.037 12 H CA 0.562 56.605 56.048 -0.009 0.000 1.168 12 H CB 0.330 30.087 29.762 -0.008 0.000 1.497 12 H HN 0.363 nan 8.280 nan 0.000 0.547 13 T N -3.961 110.644 114.554 0.085 0.000 2.942 13 T HA 0.159 4.509 4.350 -0.000 0.000 0.289 13 T C 1.302 176.018 174.700 0.027 0.000 1.044 13 T CA -0.686 61.443 62.100 0.048 0.000 1.023 13 T CB 1.999 70.885 68.868 0.030 0.000 1.123 13 T HN -0.110 nan 8.240 nan 0.000 0.512 14 T N 1.167 115.732 114.554 0.019 0.000 2.737 14 T HA 0.005 4.355 4.350 -0.000 0.000 0.265 14 T C 2.382 177.085 174.700 0.004 0.000 1.038 14 T CA 1.498 63.604 62.100 0.011 0.000 1.144 14 T CB -0.833 68.040 68.868 0.008 0.000 0.866 14 T HN 0.819 nan 8.240 nan 0.000 0.434 15 A N 1.307 124.128 122.820 0.003 0.000 1.972 15 A HA 0.113 4.433 4.320 -0.000 0.000 0.219 15 A C 2.587 180.167 177.584 -0.008 0.000 1.169 15 A CA 1.822 53.858 52.037 -0.002 0.000 0.635 15 A CB -1.284 17.716 19.000 -0.001 0.000 0.810 15 A HN 0.515 nan 8.150 nan 0.000 0.446 16 G N -0.238 108.557 108.800 -0.009 0.000 2.402 16 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 16 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 16 G C 1.664 176.548 174.900 -0.026 0.000 1.162 16 G CA 1.061 46.148 45.100 -0.021 0.000 0.777 16 G HN 0.587 nan 8.290 nan 0.000 0.539 17 K N -0.068 120.322 120.400 -0.017 0.000 2.097 17 K HA 0.119 4.439 4.320 -0.000 0.000 0.205 17 K C 2.458 179.043 176.600 -0.025 0.000 1.050 17 K CA 0.611 56.885 56.287 -0.021 0.000 0.938 17 K CB -0.248 32.247 32.500 -0.008 0.000 0.718 17 K HN 0.246 nan 8.250 nan 0.000 0.442 18 L N 0.467 121.680 121.223 -0.016 0.000 2.027 18 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 18 L C 2.625 179.485 176.870 -0.017 0.000 1.074 18 L CA 1.167 55.999 54.840 -0.013 0.000 0.745 18 L CB -0.696 41.359 42.059 -0.006 0.000 0.898 18 L HN 0.216 nan 8.230 nan 0.000 0.433 19 A N 0.114 122.924 122.820 -0.017 0.000 1.933 19 A HA -0.296 4.024 4.320 -0.000 0.000 0.218 19 A C 1.942 179.510 177.584 -0.027 0.000 1.175 19 A CA 2.143 54.170 52.037 -0.018 0.000 0.628 19 A CB -0.651 18.339 19.000 -0.017 0.000 0.814 19 A HN 0.482 nan 8.150 nan 0.000 0.444 20 D N -0.767 119.610 120.400 -0.039 0.000 2.144 20 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 20 D C 1.733 177.983 176.300 -0.083 0.000 0.984 20 D CA 1.214 55.180 54.000 -0.058 0.000 0.834 20 D CB -0.147 40.613 40.800 -0.066 0.000 0.955 20 D HN 0.266 nan 8.370 nan 0.000 0.465 21 L N 0.744 121.923 121.223 -0.074 0.000 2.017 21 L HA -0.024 4.316 4.340 -0.000 0.000 0.208 21 L C 2.177 179.025 176.870 -0.037 0.000 1.073 21 L CA 1.664 56.454 54.840 -0.084 0.000 0.745 21 L CB -0.573 41.469 42.059 -0.028 0.000 0.894 21 L HN -0.064 nan 8.230 nan 0.000 0.432 22 R N -0.777 119.717 120.500 -0.009 0.000 2.105 22 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 22 R C 2.487 178.799 176.300 0.019 0.000 1.135 22 R CA 1.642 57.751 56.100 0.015 0.000 0.967 22 R CB -0.466 29.841 30.300 0.011 0.000 0.861 22 R HN 0.411 nan 8.270 nan 0.000 0.442 23 R N 1.088 121.586 120.500 -0.002 0.000 2.075 23 R HA -0.101 4.239 4.340 -0.000 0.000 0.232 23 R C 2.122 178.434 176.300 0.020 0.000 1.126 23 R CA 1.376 57.482 56.100 0.011 0.000 0.963 23 R CB -0.004 30.294 30.300 -0.004 0.000 0.858 23 R HN 0.172 nan 8.270 nan 0.000 0.435 24 R N 0.339 120.804 120.500 -0.059 0.000 2.081 24 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 24 R C 2.439 178.733 176.300 -0.010 0.000 1.131 24 R CA 1.634 57.635 56.100 -0.165 0.000 0.960 24 R CB -0.514 29.412 30.300 -0.622 0.000 0.856 24 R HN 0.351 nan 8.270 nan 0.000 0.436 25 I N 0.989 121.633 120.570 0.123 0.000 2.394 25 I HA -0.231 3.939 4.170 -0.000 0.000 0.251 25 I C 2.169 178.370 176.117 0.139 0.000 1.136 25 I CA 1.547 62.978 61.300 0.218 0.000 1.425 25 I CB 0.026 38.119 38.000 0.155 0.000 1.079 25 I HN 0.071 nan 8.210 nan 0.000 0.425 26 E N 1.487 121.767 120.200 0.133 0.000 2.110 26 E HA -0.262 4.088 4.350 -0.000 0.000 0.193 26 E C 1.963 178.716 176.600 0.255 0.000 0.988 26 E CA 1.817 58.328 56.400 0.185 0.000 0.804 26 E CB -0.135 29.645 29.700 0.134 0.000 0.745 26 E HN 0.621 nan 8.360 nan 0.000 0.458 27 E N -0.293 120.039 120.200 0.219 0.000 2.107 27 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 27 E C 2.045 178.830 176.600 0.310 0.000 0.982 27 E CA 0.746 57.305 56.400 0.264 0.000 0.809 27 E CB -0.157 29.726 29.700 0.304 0.000 0.756 27 E HN 0.360 nan 8.360 nan 0.000 0.459 28 A N 1.552 124.564 122.820 0.320 0.000 1.877 28 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 28 A C 2.486 180.123 177.584 0.088 0.000 1.186 28 A CA 2.112 54.314 52.037 0.275 0.000 0.620 28 A CB -1.190 17.918 19.000 0.180 0.000 0.822 28 A HN 0.381 nan 8.150 nan 0.000 0.443 29 T N -3.631 110.912 114.554 -0.018 0.000 3.051 29 T HA -0.101 4.249 4.350 -0.000 0.000 0.269 29 T C 0.779 175.198 174.700 -0.468 0.000 1.127 29 T CA 1.432 63.389 62.100 -0.238 0.000 1.107 29 T CB -0.448 68.227 68.868 -0.322 0.000 0.898 29 T HN 0.593 nan 8.240 nan 0.000 0.517 30 H N -0.423 118.682 119.070 0.059 0.000 2.676 30 H HA 0.638 5.194 4.556 -0.000 0.000 0.238 30 H C 1.581 176.928 175.328 0.031 0.000 1.276 30 H CA -0.061 56.008 56.048 0.035 0.000 0.983 30 H CB 0.294 30.075 29.762 0.032 0.000 2.000 30 H HN 0.424 nan 8.280 nan 0.000 0.584 31 A N 0.792 123.666 122.820 0.089 0.000 2.076 31 A HA 0.014 4.334 4.320 -0.000 0.000 0.220 31 A C 1.678 179.256 177.584 -0.009 0.000 1.160 31 A CA 1.131 53.201 52.037 0.055 0.000 0.653 31 A CB -0.253 18.779 19.000 0.053 0.000 0.801 31 A HN 0.375 nan 8.150 nan 0.000 0.455 32 G N 0.016 108.813 108.800 -0.004 0.000 2.367 32 G HA2 0.437 4.397 3.960 -0.000 0.000 0.314 32 G HA3 0.437 4.397 3.960 -0.000 0.000 0.314 32 G C 0.181 175.072 174.900 -0.016 0.000 1.130 32 G CA 0.331 45.407 45.100 -0.039 0.000 0.864 32 G HN 0.640 nan 8.290 nan 0.000 0.486 33 S N 0.957 116.632 115.700 -0.042 0.000 2.549 33 S HA 0.291 4.761 4.470 -0.000 0.000 0.286 33 S C 1.688 176.278 174.600 -0.017 0.000 1.314 33 S CA 0.160 58.343 58.200 -0.028 0.000 1.062 33 S CB 1.446 64.623 63.200 -0.039 0.000 0.865 33 S HN 1.320 nan 8.310 nan 0.000 0.498 34 A N 3.093 125.908 122.820 -0.009 0.000 2.084 34 A HA -0.171 4.149 4.320 -0.000 0.000 0.221 34 A C 2.287 179.863 177.584 -0.014 0.000 1.161 34 A CA 1.709 53.741 52.037 -0.009 0.000 0.653 34 A CB -0.652 18.341 19.000 -0.011 0.000 0.802 34 A HN 0.952 nan 8.150 nan 0.000 0.457 35 R N -0.726 119.766 120.500 -0.012 0.000 2.062 35 R HA 0.038 4.378 4.340 -0.000 0.000 0.226 35 R C 2.364 178.659 176.300 -0.007 0.000 1.125 35 R CA 1.178 57.274 56.100 -0.006 0.000 0.966 35 R CB -0.390 29.908 30.300 -0.004 0.000 0.861 35 R HN 0.407 nan 8.270 nan 0.000 0.433 36 A N 0.345 123.156 122.820 -0.015 0.000 1.978 36 A HA -0.104 4.216 4.320 -0.000 0.000 0.220 36 A C 2.161 179.737 177.584 -0.013 0.000 1.170 36 A CA 1.528 53.561 52.037 -0.007 0.000 0.636 36 A CB -0.407 18.573 19.000 -0.033 0.000 0.810 36 A HN 0.241 nan 8.150 nan 0.000 0.448 37 V N -0.359 119.522 119.914 -0.055 0.000 2.453 37 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 37 V C 2.423 178.386 176.094 -0.217 0.000 1.048 37 V CA 2.104 64.311 62.300 -0.155 0.000 1.049 37 V CB -0.582 31.153 31.823 -0.147 0.000 0.672 37 V HN 0.749 nan 8.190 nan 0.000 0.457 38 E N 0.281 120.434 120.200 -0.078 0.000 2.072 38 E HA -0.201 4.149 4.350 -0.000 0.000 0.190 38 E C 2.268 178.893 176.600 0.042 0.000 0.982 38 E CA 1.006 57.407 56.400 0.002 0.000 0.803 38 E CB 0.031 29.748 29.700 0.028 0.000 0.755 38 E HN 0.554 nan 8.360 nan 0.000 0.453 39 K N 0.256 120.677 120.400 0.035 0.000 2.057 39 K HA -0.232 4.088 4.320 -0.000 0.000 0.207 39 K C 2.310 178.954 176.600 0.074 0.000 1.049 39 K CA 1.534 57.858 56.287 0.061 0.000 0.931 39 K CB -0.153 32.390 32.500 0.072 0.000 0.714 39 K HN 0.026 nan 8.250 nan 0.000 0.440 40 Q N 0.689 120.527 119.800 0.063 0.000 2.061 40 Q HA -0.192 4.148 4.340 -0.000 0.000 0.204 40 Q C 1.667 177.739 176.000 0.120 0.000 0.984 40 Q CA 1.801 57.645 55.803 0.068 0.000 0.846 40 Q CB -0.178 28.579 28.738 0.032 0.000 0.902 40 Q HN 0.519 nan 8.270 nan 0.000 0.421 41 H N -1.378 117.714 119.070 0.037 0.000 2.389 41 H HA 0.003 4.559 4.556 -0.000 0.000 0.299 41 H C 1.757 177.096 175.328 0.018 0.000 1.081 41 H CA 0.424 56.486 56.048 0.024 0.000 1.345 41 H CB 0.115 29.892 29.762 0.026 0.000 1.393 41 H HN 0.449 nan 8.280 nan 0.000 0.520 42 A N 1.230 124.140 122.820 0.151 0.000 2.019 42 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 42 A C 1.904 179.524 177.584 0.059 0.000 1.164 42 A CA 1.271 53.359 52.037 0.084 0.000 0.644 42 A CB -0.155 18.885 19.000 0.067 0.000 0.805 42 A HN 0.327 nan 8.150 nan 0.000 0.449 43 K N -1.364 119.072 120.400 0.061 0.000 2.444 43 K HA 0.239 4.559 4.320 -0.000 0.000 0.193 43 K C 1.161 177.779 176.600 0.029 0.000 1.024 43 K CA 0.443 56.750 56.287 0.034 0.000 1.077 43 K CB -0.036 32.473 32.500 0.014 0.000 0.833 43 K HN 0.608 nan 8.250 nan 0.000 0.517 44 G N 1.838 110.664 108.800 0.043 0.000 2.205 44 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.261 44 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.261 44 G C -0.080 174.840 174.900 0.032 0.000 0.980 44 G CA 0.183 45.298 45.100 0.024 0.000 0.632 44 G HN 0.289 nan 8.290 nan 0.000 0.533 45 K N -0.170 120.261 120.400 0.052 0.000 2.258 45 K HA 0.581 4.901 4.320 -0.000 0.000 0.264 45 K C 0.313 176.992 176.600 0.131 0.000 1.007 45 K CA -0.525 55.794 56.287 0.052 0.000 0.941 45 K CB 0.761 33.269 32.500 0.012 0.000 0.966 45 K HN 0.086 nan 8.250 nan 0.000 0.480 46 L N 0.518 121.801 121.223 0.100 0.000 2.376 46 L HA 0.302 4.642 4.340 -0.000 0.000 0.267 46 L C 0.678 177.624 176.870 0.127 0.000 1.035 46 L CA -0.249 54.678 54.840 0.145 0.000 0.800 46 L CB 1.115 43.214 42.059 0.066 0.000 1.290 46 L HN 0.808 nan 8.230 nan 0.000 0.462 47 T N -2.378 112.255 114.554 0.131 0.000 2.899 47 T HA 0.506 4.856 4.350 -0.000 0.000 0.284 47 T C 1.156 175.873 174.700 0.028 0.000 1.004 47 T CA -0.144 61.991 62.100 0.059 0.000 1.043 47 T CB 1.100 69.991 68.868 0.038 0.000 1.013 47 T HN 0.631 nan 8.240 nan 0.000 0.518 48 A N 1.801 124.632 122.820 0.019 0.000 1.927 48 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 48 A C 2.541 180.092 177.584 -0.055 0.000 1.185 48 A CA 1.702 53.737 52.037 -0.004 0.000 0.639 48 A CB -0.772 18.233 19.000 0.008 0.000 0.820 48 A HN 0.929 nan 8.150 nan 0.000 0.451 49 R N -0.671 119.796 120.500 -0.055 0.000 2.090 49 R HA -0.050 4.290 4.340 -0.000 0.000 0.228 49 R C 2.089 178.332 176.300 -0.095 0.000 1.110 49 R CA 1.306 57.349 56.100 -0.095 0.000 0.973 49 R CB -0.242 30.019 30.300 -0.065 0.000 0.869 49 R HN 0.697 nan 8.270 nan 0.000 0.440 50 E N 0.381 120.558 120.200 -0.038 0.000 2.106 50 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 50 E C 2.010 178.578 176.600 -0.052 0.000 0.984 50 E CA 0.837 57.222 56.400 -0.025 0.000 0.806 50 E CB 0.010 29.728 29.700 0.030 0.000 0.750 50 E HN 0.263 nan 8.360 nan 0.000 0.458 51 R N 0.538 121.005 120.500 -0.055 0.000 2.081 51 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 51 R C 2.378 178.606 176.300 -0.121 0.000 1.131 51 R CA 1.104 57.163 56.100 -0.067 0.000 0.960 51 R CB -0.253 30.015 30.300 -0.053 0.000 0.856 51 R HN 0.189 nan 8.270 nan 0.000 0.436 52 I N 0.916 121.370 120.570 -0.193 0.000 2.202 52 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 52 I C 1.502 177.458 176.117 -0.268 0.000 1.091 52 I CA 1.257 62.368 61.300 -0.315 0.000 1.368 52 I CB -0.328 37.317 38.000 -0.592 0.000 1.058 52 I HN 0.144 nan 8.210 nan 0.000 0.410 53 D N 0.653 120.928 120.400 -0.208 0.000 2.218 53 D HA -0.161 4.479 4.640 -0.000 0.000 0.204 53 D C 2.064 178.314 176.300 -0.084 0.000 0.976 53 D CA 1.108 55.033 54.000 -0.126 0.000 0.853 53 D CB -0.049 40.705 40.800 -0.076 0.000 0.939 53 D HN 0.201 nan 8.370 nan 0.000 0.481 54 L N 0.455 121.630 121.223 -0.079 0.000 2.072 54 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 54 L C 2.167 179.005 176.870 -0.054 0.000 1.079 54 L CA 1.026 55.834 54.840 -0.053 0.000 0.752 54 L CB -0.515 41.519 42.059 -0.042 0.000 0.906 54 L HN -0.001 nan 8.230 nan 0.000 0.436 55 L N -1.096 120.083 121.223 -0.074 0.000 2.044 55 L HA 0.015 4.355 4.340 -0.000 0.000 0.205 55 L C 0.838 177.671 176.870 -0.061 0.000 1.075 55 L CA 1.267 56.066 54.840 -0.068 0.000 0.747 55 L CB -0.193 41.816 42.059 -0.084 0.000 0.903 55 L HN -0.015 nan 8.230 nan 0.000 0.435 56 L N 0.408 121.587 121.223 -0.075 0.000 2.439 56 L HA 0.208 4.548 4.340 -0.000 0.000 0.261 56 L C -0.175 176.684 176.870 -0.019 0.000 1.153 56 L CA -0.952 53.864 54.840 -0.039 0.000 0.808 56 L CB 0.109 42.147 42.059 -0.035 0.000 1.126 56 L HN 0.053 nan 8.230 nan 0.000 0.460 57 D N 1.239 121.641 120.400 0.003 0.000 2.424 57 D HA -0.009 4.631 4.640 -0.000 0.000 0.244 57 D C 0.173 176.482 176.300 0.014 0.000 1.134 57 D CA 0.093 54.097 54.000 0.006 0.000 0.881 57 D CB 0.724 41.534 40.800 0.016 0.000 1.191 57 D HN 0.447 nan 8.370 nan 0.000 0.445 58 E N 0.411 120.615 120.200 0.007 0.000 2.558 58 E HA 0.091 4.441 4.350 -0.000 0.000 0.255 58 E C 1.035 177.647 176.600 0.021 0.000 0.968 58 E CA 0.580 56.987 56.400 0.011 0.000 0.939 58 E CB 0.060 29.762 29.700 0.004 0.000 0.921 58 E HN 0.669 nan 8.360 nan 0.000 0.477 59 G N 2.998 111.817 108.800 0.031 0.000 2.179 59 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.260 59 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.260 59 G C 0.848 175.767 174.900 0.033 0.000 0.977 59 G CA 0.836 45.953 45.100 0.028 0.000 0.641 59 G HN 0.793 nan 8.290 nan 0.000 0.533 60 S N -0.945 114.789 115.700 0.056 0.000 2.528 60 S HA 0.426 4.896 4.470 -0.000 0.000 0.219 60 S C 0.863 175.505 174.600 0.070 0.000 0.985 60 S CA 0.304 58.543 58.200 0.065 0.000 0.914 60 S CB 0.127 63.376 63.200 0.083 0.000 0.776 60 S HN 1.017 nan 8.310 nan 0.000 0.526 61 F N 3.290 123.176 119.950 -0.107 0.000 2.543 61 F HA 0.485 5.012 4.527 -0.000 0.000 0.375 61 F C -0.539 175.092 175.800 -0.282 0.000 1.075 61 F CA -1.145 56.745 58.000 -0.183 0.000 1.225 61 F CB 0.779 39.695 39.000 -0.140 0.000 1.099 61 F HN -0.077 nan 8.300 nan 0.000 0.561 62 V N 6.920 126.210 119.914 -1.041 0.000 2.380 62 V HA 0.186 4.306 4.120 -0.000 0.000 0.286 62 V C -0.209 175.043 176.094 -1.404 0.000 1.015 62 V CA -1.000 60.605 62.300 -1.159 0.000 0.834 62 V CB 1.248 32.351 31.823 -1.199 0.000 1.009 62 V HN 0.752 nan 8.190 nan 0.000 0.428 63 E N 4.746 124.125 120.200 -1.369 0.000 2.338 63 E HA 0.502 4.852 4.350 -0.000 0.000 0.272 63 E C -1.107 175.184 176.600 -0.515 0.000 1.029 63 E CA -0.366 55.465 56.400 -0.949 0.000 0.872 63 E CB 0.919 30.207 29.700 -0.686 0.000 1.015 63 E HN 0.586 nan 8.360 nan 0.000 0.417 64 L N 3.191 124.219 121.223 -0.324 0.000 2.334 64 L HA 0.282 4.622 4.340 -0.000 0.000 0.270 64 L C -0.115 176.653 176.870 -0.170 0.000 1.018 64 L CA -0.993 53.715 54.840 -0.219 0.000 0.811 64 L CB 1.373 43.340 42.059 -0.154 0.000 1.271 64 L HN 0.680 nan 8.230 nan 0.000 0.443 65 D N 0.966 121.282 120.400 -0.139 0.000 2.702 65 D HA -0.236 4.404 4.640 -0.000 0.000 0.233 65 D C 1.114 177.326 176.300 -0.146 0.000 1.164 65 D CA 1.281 55.221 54.000 -0.100 0.000 0.638 65 D CB -0.478 40.297 40.800 -0.041 0.000 1.041 65 D HN 0.775 nan 8.370 nan 0.000 0.422 66 E N -0.761 119.247 120.200 -0.319 0.000 2.153 66 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 66 E C 0.993 177.349 176.600 -0.407 0.000 0.988 66 E CA 0.867 56.983 56.400 -0.472 0.000 0.811 66 E CB 0.051 29.248 29.700 -0.838 0.000 0.746 66 E HN 0.275 nan 8.360 nan 0.000 0.466 67 F N 0.549 120.460 119.950 -0.065 0.000 2.730 67 F HA 0.408 4.935 4.527 -0.000 0.000 0.295 67 F C 0.432 176.326 175.800 0.156 0.000 1.143 67 F CA -0.497 57.491 58.000 -0.020 0.000 1.367 67 F CB -0.095 38.793 39.000 -0.187 0.000 0.970 67 F HN -0.053 nan 8.300 nan 0.000 0.514 68 A N 1.275 124.234 122.820 0.231 0.000 2.407 68 A HA 0.657 4.977 4.320 -0.000 0.000 0.248 68 A C 0.553 178.264 177.584 0.212 0.000 1.082 68 A CA -0.188 51.956 52.037 0.179 0.000 0.785 68 A CB 0.458 19.518 19.000 0.101 0.000 1.020 68 A HN 0.374 nan 8.150 nan 0.000 0.489 69 R N 0.846 121.437 120.500 0.151 0.000 2.725 69 R HA 0.312 4.652 4.340 -0.000 0.000 0.277 69 R C -0.613 175.731 176.300 0.074 0.000 0.987 69 R CA -0.781 55.375 56.100 0.092 0.000 0.901 69 R CB 1.621 31.922 30.300 0.002 0.000 1.207 69 R HN 1.050 nan 8.270 nan 0.000 0.463 70 H N 0.804 119.925 119.070 0.086 0.000 2.671 70 H HA 0.242 4.798 4.556 -0.000 0.000 0.372 70 H C -0.361 174.985 175.328 0.030 0.000 1.227 70 H CA -0.193 55.888 56.048 0.055 0.000 1.426 70 H CB 1.299 31.090 29.762 0.049 0.000 1.480 70 H HN 0.519 nan 8.280 nan 0.000 0.611 71 R N 1.071 121.666 120.500 0.159 0.000 2.652 71 R HA 0.163 4.503 4.340 -0.000 0.000 0.372 71 R C -0.002 176.374 176.300 0.127 0.000 1.104 71 R CA -0.270 55.875 56.100 0.074 0.000 1.072 71 R CB 0.617 30.944 30.300 0.043 0.000 1.367 71 R HN 0.445 nan 8.270 nan 0.000 0.577 72 S N 0.381 116.270 115.700 0.315 0.000 2.554 72 S HA 0.196 4.666 4.470 -0.000 0.000 0.278 72 S C 1.039 175.725 174.600 0.145 0.000 1.242 72 S CA -0.403 57.899 58.200 0.170 0.000 1.051 72 S CB 1.056 64.284 63.200 0.047 0.000 0.986 72 S HN 0.377 nan 8.310 nan 0.000 0.502 73 T N 0.563 115.143 114.554 0.045 0.000 3.091 73 T HA 0.303 4.653 4.350 -0.000 0.000 0.277 73 T C 0.029 174.705 174.700 -0.039 0.000 0.996 73 T CA -0.456 61.653 62.100 0.016 0.000 0.897 73 T CB -0.747 68.115 68.868 -0.011 0.000 1.109 73 T HN 0.599 nan 8.240 nan 0.000 0.534 74 N N 1.712 120.380 118.700 -0.054 0.000 2.513 74 N HA 0.369 5.109 4.740 -0.000 0.000 0.268 74 N C -0.827 174.658 175.510 -0.042 0.000 1.180 74 N CA -0.707 52.253 53.050 -0.150 0.000 0.948 74 N CB -0.023 38.421 38.487 -0.072 0.000 1.083 74 N HN 0.096 nan 8.380 nan 0.000 0.455 75 F N 1.038 120.968 119.950 -0.034 0.000 3.048 75 F HA -0.223 4.304 4.527 -0.000 0.000 0.269 75 F C 1.568 177.355 175.800 -0.023 0.000 0.960 75 F CA 0.819 58.800 58.000 -0.032 0.000 0.909 75 F CB -2.210 36.761 39.000 -0.048 0.000 0.837 75 F HN 0.867 nan 8.300 nan 0.000 0.768 76 G N -0.297 108.544 108.800 0.069 0.000 2.233 76 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.270 76 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.270 76 G C 1.096 176.052 174.900 0.093 0.000 1.011 76 G CA 0.334 45.476 45.100 0.070 0.000 0.762 76 G HN 0.619 nan 8.290 nan 0.000 0.511 77 L N 0.557 121.830 121.223 0.083 0.000 2.191 77 L HA -0.062 4.278 4.340 -0.000 0.000 0.212 77 L C 2.660 179.686 176.870 0.260 0.000 1.103 77 L CA 2.137 57.016 54.840 0.064 0.000 0.769 77 L CB -0.255 41.721 42.059 -0.138 0.000 0.908 77 L HN 0.588 nan 8.230 nan 0.000 0.438 78 D N -0.360 120.180 120.400 0.232 0.000 2.403 78 D HA -0.157 4.483 4.640 -0.000 0.000 0.227 78 D C 1.695 178.056 176.300 0.102 0.000 0.995 78 D CA 0.908 55.015 54.000 0.178 0.000 0.928 78 D CB 0.103 40.947 40.800 0.073 0.000 0.887 78 D HN 0.314 nan 8.370 nan 0.000 0.529 79 A N 0.317 123.210 122.820 0.121 0.000 2.014 79 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 79 A C 0.805 178.444 177.584 0.092 0.000 1.163 79 A CA 0.481 52.569 52.037 0.084 0.000 0.652 79 A CB -0.061 18.988 19.000 0.082 0.000 0.808 79 A HN 0.147 nan 8.150 nan 0.000 0.449 80 N N 0.207 119.017 118.700 0.183 0.000 2.504 80 N HA 0.331 5.071 4.740 -0.000 0.000 0.280 80 N C -1.235 174.453 175.510 0.297 0.000 1.052 80 N CA -0.259 52.899 53.050 0.180 0.000 0.887 80 N CB 1.443 40.042 38.487 0.186 0.000 1.323 80 N HN 0.243 nan 8.380 nan 0.000 0.509 81 R N 1.889 122.426 120.500 0.062 0.000 2.724 81 R HA 0.287 4.627 4.340 -0.000 0.000 0.284 81 R C -2.366 173.881 176.300 -0.088 0.000 1.481 81 R CA -1.286 54.800 56.100 -0.024 0.000 1.652 81 R CB 1.226 31.363 30.300 -0.272 0.000 1.175 81 R HN 0.362 nan 8.270 nan 0.000 0.613 82 P HA -0.073 nan 4.420 nan 0.000 0.268 82 P C -0.541 176.768 177.300 0.014 0.000 1.205 82 P CA 0.119 63.174 63.100 -0.075 0.000 0.771 82 P CB 0.606 32.250 31.700 -0.093 0.000 0.858 83 Y N 0.832 121.184 120.300 0.087 0.000 2.610 83 Y HA 0.239 4.789 4.550 -0.000 0.000 0.332 83 Y C 2.089 178.036 175.900 0.078 0.000 1.201 83 Y CA 1.249 59.427 58.100 0.129 0.000 1.465 83 Y CB 0.145 38.739 38.460 0.225 0.000 1.283 83 Y HN 0.795 nan 8.280 nan 0.000 0.563 84 G N 1.956 110.902 108.800 0.242 0.000 2.241 84 G HA2 -0.388 3.572 3.960 -0.000 0.000 0.244 84 G HA3 -0.388 3.572 3.960 -0.000 0.000 0.244 84 G C 0.413 175.363 174.900 0.084 0.000 0.998 84 G CA 0.281 45.440 45.100 0.099 0.000 0.621 84 G HN 0.840 nan 8.290 nan 0.000 0.519 85 D N -1.170 119.322 120.400 0.153 0.000 2.751 85 D HA 0.150 4.790 4.640 -0.000 0.000 0.233 85 D C 1.847 178.281 176.300 0.222 0.000 1.149 85 D CA 3.230 57.365 54.000 0.225 0.000 0.682 85 D CB -1.260 39.687 40.800 0.246 0.000 1.068 85 D HN 2.218 nan 8.370 nan 0.000 0.429 86 G N -2.494 106.372 108.800 0.109 0.000 2.175 86 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.244 86 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.244 86 G C 0.200 174.968 174.900 -0.221 0.000 0.982 86 G CA 0.322 45.469 45.100 0.078 0.000 0.641 86 G HN 1.334 nan 8.290 nan 0.000 0.527 87 V N 0.229 119.942 119.914 -0.335 0.000 2.777 87 V HA 0.669 4.789 4.120 -0.000 0.000 0.306 87 V C -0.588 175.412 176.094 -0.156 0.000 1.112 87 V CA -0.574 61.492 62.300 -0.390 0.000 0.917 87 V CB 2.272 33.591 31.823 -0.840 0.000 1.018 87 V HN 0.625 nan 8.190 nan 0.000 0.426 88 V N 6.152 126.032 119.914 -0.056 0.000 2.383 88 V HA 0.664 4.784 4.120 -0.000 0.000 0.275 88 V C 0.438 176.580 176.094 0.080 0.000 1.036 88 V CA 0.153 62.462 62.300 0.014 0.000 0.889 88 V CB 1.444 33.276 31.823 0.015 0.000 0.985 88 V HN 1.057 nan 8.190 nan 0.000 0.459 89 T N 1.589 116.208 114.554 0.108 0.000 2.908 89 T HA 0.974 5.324 4.350 -0.000 0.000 0.290 89 T C -0.006 174.806 174.700 0.186 0.000 1.034 89 T CA -0.079 62.111 62.100 0.150 0.000 1.010 89 T CB 2.304 71.218 68.868 0.076 0.000 1.068 89 T HN 1.219 nan 8.240 nan 0.000 0.481 90 G N 0.390 109.317 108.800 0.210 0.000 2.356 90 G HA2 0.507 4.467 3.960 -0.000 0.000 0.281 90 G HA3 0.507 4.467 3.960 -0.000 0.000 0.281 90 G C -2.081 172.911 174.900 0.153 0.000 1.246 90 G CA -0.342 44.811 45.100 0.089 0.000 0.889 90 G HN 1.438 nan 8.290 nan 0.000 0.486 91 Y N -1.661 118.665 120.300 0.043 0.000 2.625 91 Y HA 0.906 5.456 4.550 -0.000 0.000 0.338 91 Y C 0.236 176.224 175.900 0.148 0.000 1.123 91 Y CA -0.580 57.561 58.100 0.067 0.000 1.046 91 Y CB 1.403 39.815 38.460 -0.079 0.000 1.299 91 Y HN 1.868 nan 8.280 nan 0.000 0.464 92 G N 0.002 109.054 108.800 0.420 0.000 2.435 92 G HA2 0.512 4.472 3.960 -0.000 0.000 0.296 92 G HA3 0.512 4.472 3.960 -0.000 0.000 0.296 92 G C -1.427 173.612 174.900 0.230 0.000 1.240 92 G CA -0.360 44.912 45.100 0.287 0.000 0.872 92 G HN 1.237 nan 8.290 nan 0.000 0.480 93 T N -2.547 112.091 114.554 0.141 0.000 2.924 93 T HA 0.748 5.098 4.350 -0.000 0.000 0.291 93 T C -1.137 173.590 174.700 0.046 0.000 1.045 93 T CA -0.826 61.327 62.100 0.090 0.000 1.015 93 T CB 2.052 70.963 68.868 0.072 0.000 1.103 93 T HN 1.022 nan 8.240 nan 0.000 0.496 94 V N 2.267 122.193 119.914 0.020 0.000 2.525 94 V HA 0.348 4.468 4.120 -0.000 0.000 0.299 94 V C -0.560 175.522 176.094 -0.020 0.000 1.034 94 V CA -0.695 61.598 62.300 -0.011 0.000 0.863 94 V CB 1.304 33.110 31.823 -0.029 0.000 0.999 94 V HN 1.135 nan 8.190 nan 0.000 0.423 95 D N 4.321 124.708 120.400 -0.023 0.000 2.701 95 D HA -0.215 4.425 4.640 -0.000 0.000 0.235 95 D C 1.343 177.644 176.300 0.001 0.000 1.155 95 D CA 1.657 55.645 54.000 -0.020 0.000 0.649 95 D CB -0.887 39.889 40.800 -0.039 0.000 1.050 95 D HN 1.453 nan 8.370 nan 0.000 0.425 96 G N -0.477 108.328 108.800 0.009 0.000 2.184 96 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.264 96 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.264 96 G C 0.345 175.255 174.900 0.017 0.000 0.975 96 G CA 0.638 45.749 45.100 0.019 0.000 0.642 96 G HN 0.537 nan 8.290 nan 0.000 0.536 97 R N 1.010 121.514 120.500 0.007 0.000 2.532 97 R HA 0.517 4.857 4.340 -0.000 0.000 0.295 97 R C -2.475 173.838 176.300 0.022 0.000 0.968 97 R CA -1.997 54.103 56.100 -0.001 0.000 0.916 97 R CB 1.814 32.095 30.300 -0.031 0.000 1.124 97 R HN 0.106 nan 8.270 nan 0.000 0.463 98 P HA 0.042 nan 4.420 nan 0.000 0.267 98 P C -0.748 176.595 177.300 0.072 0.000 1.205 98 P CA 0.076 63.216 63.100 0.066 0.000 0.765 98 P CB 0.975 32.697 31.700 0.037 0.000 0.828 99 V N 2.445 122.438 119.914 0.131 0.000 2.932 99 V HA 0.613 4.733 4.120 -0.000 0.000 0.307 99 V C -0.150 176.071 176.094 0.211 0.000 1.147 99 V CA -0.922 61.452 62.300 0.124 0.000 0.951 99 V CB 2.193 34.056 31.823 0.067 0.000 1.031 99 V HN 0.733 nan 8.190 nan 0.000 0.426 100 A N 2.860 125.806 122.820 0.209 0.000 2.324 100 A HA 0.947 5.267 4.320 -0.000 0.000 0.330 100 A C -0.886 176.797 177.584 0.165 0.000 1.165 100 A CA -0.628 51.569 52.037 0.266 0.000 0.813 100 A CB 1.787 20.991 19.000 0.339 0.000 1.197 100 A HN 1.198 nan 8.150 nan 0.000 0.484 101 V N 2.638 122.648 119.914 0.159 0.000 3.049 101 V HA 0.880 5.000 4.120 -0.000 0.000 0.309 101 V C -1.762 174.415 176.094 0.138 0.000 1.148 101 V CA -0.855 61.477 62.300 0.054 0.000 0.990 101 V CB 1.995 33.795 31.823 -0.038 0.000 1.039 101 V HN 1.258 nan 8.190 nan 0.000 0.430 102 F N 2.839 122.804 119.950 0.025 0.000 2.581 102 F HA 0.854 5.381 4.527 -0.000 0.000 0.311 102 F C -0.711 175.076 175.800 -0.021 0.000 1.113 102 F CA -0.586 57.414 58.000 0.001 0.000 0.935 102 F CB 2.028 41.036 39.000 0.014 0.000 1.232 102 F HN 0.422 nan 8.300 nan 0.000 0.445 103 S N 3.079 118.892 115.700 0.188 0.000 2.774 103 S HA 0.315 4.785 4.470 -0.000 0.000 0.297 103 S C -0.942 173.728 174.600 0.117 0.000 1.143 103 S CA -0.560 57.693 58.200 0.087 0.000 1.090 103 S CB 0.896 64.073 63.200 -0.037 0.000 1.019 103 S HN 0.786 nan 8.310 nan 0.000 0.482 104 Q N 2.480 122.398 119.800 0.198 0.000 2.311 104 Q HA 0.128 4.468 4.340 -0.000 0.000 0.272 104 Q C -0.622 175.464 176.000 0.144 0.000 1.012 104 Q CA 0.060 55.959 55.803 0.160 0.000 0.891 104 Q CB 0.561 29.495 28.738 0.326 0.000 1.201 104 Q HN 0.489 nan 8.270 nan 0.000 0.391 105 D N 2.404 122.870 120.400 0.109 0.000 2.428 105 D HA 0.040 4.680 4.640 -0.000 0.000 0.221 105 D C -0.200 176.215 176.300 0.193 0.000 1.123 105 D CA -0.333 53.739 54.000 0.120 0.000 0.869 105 D CB 0.349 41.175 40.800 0.044 0.000 1.032 105 D HN 0.489 nan 8.370 nan 0.000 0.506 106 F N 2.501 122.493 119.950 0.069 0.000 2.333 106 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 106 F C 2.342 178.166 175.800 0.041 0.000 1.083 106 F CA 1.550 59.592 58.000 0.070 0.000 1.395 106 F CB 0.039 39.071 39.000 0.053 0.000 1.056 106 F HN 0.373 nan 8.300 nan 0.000 0.529 107 T N -2.544 112.046 114.554 0.060 0.000 3.118 107 T HA 0.085 4.435 4.350 -0.000 0.000 0.260 107 T C 0.542 175.163 174.700 -0.131 0.000 1.139 107 T CA 0.395 62.466 62.100 -0.047 0.000 1.085 107 T CB -0.757 68.105 68.868 -0.011 0.000 0.934 107 T HN -0.101 nan 8.240 nan 0.000 0.518 108 V N 2.691 122.536 119.914 -0.115 0.000 2.313 108 V HA 0.413 4.532 4.120 -0.000 0.000 0.278 108 V C -0.284 175.749 176.094 -0.102 0.000 1.017 108 V CA -0.974 61.207 62.300 -0.199 0.000 0.823 108 V CB -0.336 31.424 31.823 -0.105 0.000 1.010 108 V HN 0.459 nan 8.190 nan 0.000 0.443 109 F N 3.360 123.260 119.950 -0.083 0.000 3.100 109 F HA -0.235 4.292 4.527 -0.000 0.000 0.283 109 F C 1.689 177.374 175.800 -0.191 0.000 0.900 109 F CA 1.214 59.148 58.000 -0.109 0.000 1.010 109 F CB -1.769 37.189 39.000 -0.071 0.000 1.029 109 F HN 0.898 nan 8.300 nan 0.000 0.637 110 G N -1.085 107.578 108.800 -0.229 0.000 2.187 110 G HA2 0.106 4.066 3.960 -0.000 0.000 0.261 110 G HA3 0.106 4.066 3.960 -0.000 0.000 0.261 110 G C 1.683 176.333 174.900 -0.417 0.000 1.000 110 G CA 1.176 45.892 45.100 -0.640 0.000 0.718 110 G HN 2.216 nan 8.290 nan 0.000 0.519 111 G N -1.491 107.274 108.800 -0.060 0.000 2.155 111 G HA2 0.142 4.102 3.960 -0.000 0.000 0.257 111 G HA3 0.142 4.102 3.960 -0.000 0.000 0.257 111 G C 0.850 175.860 174.900 0.185 0.000 0.983 111 G CA 1.157 46.388 45.100 0.218 0.000 0.676 111 G HN 2.346 nan 8.290 nan 0.000 0.528 112 A N 0.758 123.607 122.820 0.049 0.000 2.548 112 A HA 0.490 4.810 4.320 -0.000 0.000 0.247 112 A C 0.941 178.288 177.584 -0.396 0.000 1.067 112 A CA 0.065 52.046 52.037 -0.093 0.000 0.757 112 A CB 0.350 19.299 19.000 -0.085 0.000 0.996 112 A HN 1.363 nan 8.150 nan 0.000 0.504 113 L N 4.041 124.893 121.223 -0.619 0.000 2.562 113 L HA 0.413 4.753 4.340 -0.000 0.000 0.271 113 L C 0.651 177.059 176.870 -0.770 0.000 1.167 113 L CA 1.178 55.306 54.840 -1.186 0.000 0.917 113 L CB -0.324 41.171 42.059 -0.941 0.000 1.187 113 L HN 0.778 nan 8.230 nan 0.000 0.482 114 G N 3.820 112.212 108.800 -0.681 0.000 2.667 114 G HA2 0.290 4.250 3.960 -0.000 0.000 0.310 114 G HA3 0.290 4.250 3.960 -0.000 0.000 0.310 114 G C 0.385 175.161 174.900 -0.206 0.000 1.259 114 G CA -0.085 44.823 45.100 -0.320 0.000 1.019 114 G HN 0.751 nan 8.290 nan 0.000 0.496 115 E N -1.107 119.019 120.200 -0.124 0.000 2.012 115 E HA -0.167 4.182 4.350 -0.000 0.000 0.197 115 E C 2.500 179.093 176.600 -0.012 0.000 1.007 115 E CA 1.668 58.022 56.400 -0.076 0.000 0.816 115 E CB -0.163 29.512 29.700 -0.042 0.000 0.762 115 E HN 0.173 nan 8.360 nan 0.000 0.451 116 V N 0.701 120.644 119.914 0.049 0.000 2.407 116 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 116 V C 2.194 178.352 176.094 0.107 0.000 1.055 116 V CA 1.999 64.346 62.300 0.079 0.000 1.049 116 V CB -0.788 31.106 31.823 0.118 0.000 0.662 116 V HN 0.418 nan 8.190 nan 0.000 0.455 117 Y N 2.051 122.328 120.300 -0.038 0.000 2.081 117 Y HA -0.214 4.336 4.550 -0.000 0.000 0.280 117 Y C 2.361 178.181 175.900 -0.134 0.000 1.163 117 Y CA 1.755 59.817 58.100 -0.063 0.000 1.135 117 Y CB -1.029 37.389 38.460 -0.069 0.000 0.970 117 Y HN 0.193 nan 8.280 nan 0.000 0.498 118 G N -0.668 108.205 108.800 0.120 0.000 2.418 118 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 118 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 118 G C 1.469 176.335 174.900 -0.056 0.000 1.158 118 G CA 0.922 45.992 45.100 -0.050 0.000 0.771 118 G HN 0.533 nan 8.290 nan 0.000 0.545 119 Q N 0.038 119.821 119.800 -0.028 0.000 2.170 119 Q HA -0.044 4.295 4.340 -0.000 0.000 0.203 119 Q C 2.543 178.533 176.000 -0.016 0.000 0.976 119 Q CA 1.094 56.885 55.803 -0.020 0.000 0.858 119 Q CB -0.091 28.646 28.738 -0.003 0.000 0.907 119 Q HN 0.438 nan 8.270 nan 0.000 0.433 120 K N 0.377 120.766 120.400 -0.019 0.000 2.097 120 K HA -0.086 4.234 4.320 -0.000 0.000 0.205 120 K C 1.969 178.539 176.600 -0.049 0.000 1.050 120 K CA 0.963 57.231 56.287 -0.031 0.000 0.938 120 K CB -0.002 32.465 32.500 -0.055 0.000 0.718 120 K HN 0.222 nan 8.250 nan 0.000 0.442 121 I N 0.640 121.139 120.570 -0.118 0.000 2.252 121 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 121 I C 2.174 178.254 176.117 -0.063 0.000 1.102 121 I CA 0.851 62.029 61.300 -0.203 0.000 1.385 121 I CB -0.199 37.518 38.000 -0.472 0.000 1.064 121 I HN -0.082 nan 8.210 nan 0.000 0.414 122 V N 1.323 121.209 119.914 -0.048 0.000 2.392 122 V HA -0.322 3.798 4.120 -0.000 0.000 0.249 122 V C 2.550 178.672 176.094 0.047 0.000 1.059 122 V CA 2.032 64.331 62.300 -0.002 0.000 1.051 122 V CB -0.706 31.107 31.823 -0.017 0.000 0.658 122 V HN 0.449 nan 8.190 nan 0.000 0.455 123 K N -0.148 120.279 120.400 0.045 0.000 2.097 123 K HA -0.154 4.166 4.320 -0.000 0.000 0.206 123 K C 2.147 178.832 176.600 0.140 0.000 1.049 123 K CA 1.674 58.010 56.287 0.080 0.000 0.933 123 K CB -0.223 32.307 32.500 0.051 0.000 0.717 123 K HN 0.318 nan 8.250 nan 0.000 0.442 124 V N 0.931 120.927 119.914 0.137 0.000 2.667 124 V HA -0.161 3.959 4.120 -0.000 0.000 0.252 124 V C 1.967 178.221 176.094 0.266 0.000 1.065 124 V CA 1.451 63.877 62.300 0.210 0.000 1.083 124 V CB -0.197 31.760 31.823 0.223 0.000 0.692 124 V HN 0.395 nan 8.190 nan 0.000 0.468 125 M N -0.636 119.087 119.600 0.205 0.000 2.236 125 M HA -0.068 4.412 4.480 -0.000 0.000 0.266 125 M C 1.840 178.238 176.300 0.163 0.000 1.070 125 M CA 1.826 57.239 55.300 0.188 0.000 1.137 125 M CB -0.472 32.219 32.600 0.151 0.000 1.378 125 M HN 0.308 nan 8.290 nan 0.000 0.426 126 D N 0.219 120.709 120.400 0.150 0.000 2.117 126 D HA -0.147 4.493 4.640 -0.000 0.000 0.198 126 D C 1.703 178.083 176.300 0.133 0.000 0.982 126 D CA 1.226 55.299 54.000 0.121 0.000 0.828 126 D CB -0.363 40.500 40.800 0.106 0.000 0.967 126 D HN 0.251 nan 8.370 nan 0.000 0.464 127 F N 1.866 121.846 119.950 0.049 0.000 2.126 127 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 127 F C 2.240 178.055 175.800 0.025 0.000 1.096 127 F CA 1.627 59.646 58.000 0.031 0.000 1.255 127 F CB -0.155 38.874 39.000 0.049 0.000 0.997 127 F HN -0.068 nan 8.300 nan 0.000 0.479 128 A N -0.084 122.833 122.820 0.162 0.000 1.930 128 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 128 A C 2.072 179.648 177.584 -0.013 0.000 1.175 128 A CA 1.586 53.664 52.037 0.069 0.000 0.627 128 A CB -1.117 17.983 19.000 0.168 0.000 0.815 128 A HN 0.472 nan 8.150 nan 0.000 0.443 129 L N 0.042 121.279 121.223 0.023 0.000 2.027 129 L HA -0.096 4.244 4.340 -0.000 0.000 0.206 129 L C 2.370 179.218 176.870 -0.037 0.000 1.074 129 L CA 2.509 57.362 54.840 0.022 0.000 0.745 129 L CB -0.487 41.608 42.059 0.059 0.000 0.898 129 L HN 0.469 nan 8.230 nan 0.000 0.433 130 K N -1.050 119.302 120.400 -0.081 0.000 2.032 130 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 130 K C 1.622 178.105 176.600 -0.194 0.000 1.048 130 K CA 2.069 58.280 56.287 -0.127 0.000 0.927 130 K CB -0.278 32.132 32.500 -0.150 0.000 0.712 130 K HN 0.562 nan 8.250 nan 0.000 0.441 131 T N -2.972 111.387 114.554 -0.325 0.000 3.107 131 T HA 0.205 4.555 4.350 -0.000 0.000 0.249 131 T C 0.884 175.473 174.700 -0.186 0.000 1.096 131 T CA 0.297 62.205 62.100 -0.320 0.000 1.012 131 T CB 0.255 68.790 68.868 -0.555 0.000 0.977 131 T HN 0.401 nan 8.240 nan 0.000 0.527 132 G N 1.529 110.256 108.800 -0.122 0.000 2.333 132 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.296 132 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.296 132 G C 0.208 175.083 174.900 -0.041 0.000 1.059 132 G CA 0.002 45.071 45.100 -0.052 0.000 1.050 132 G HN 1.384 nan 8.290 nan 0.000 0.508 133 C N -2.074 117.205 119.300 -0.034 0.000 2.848 133 C HA 0.995 5.455 4.460 -0.000 0.000 0.317 133 C C -2.177 172.826 174.990 0.022 0.000 1.260 133 C CA -2.665 56.347 59.018 -0.008 0.000 1.656 133 C CB 1.897 29.642 27.740 0.008 0.000 2.174 133 C HN 0.277 nan 8.230 nan 0.000 0.479 134 P HA 0.362 nan 4.420 nan 0.000 0.272 134 P C -0.945 176.391 177.300 0.059 0.000 1.230 134 P CA -0.130 62.974 63.100 0.005 0.000 0.788 134 P CB 0.523 32.198 31.700 -0.042 0.000 0.949 135 V N 2.902 122.857 119.914 0.067 0.000 2.409 135 V HA 0.272 4.392 4.120 -0.000 0.000 0.291 135 V C -0.164 175.948 176.094 0.030 0.000 1.020 135 V CA -0.544 61.811 62.300 0.093 0.000 0.848 135 V CB 2.009 33.926 31.823 0.156 0.000 0.990 135 V HN 0.190 nan 8.190 nan 0.000 0.430 136 V N 4.167 124.058 119.914 -0.038 0.000 2.334 136 V HA 0.656 4.776 4.120 -0.000 0.000 0.281 136 V C 0.676 176.547 176.094 -0.371 0.000 1.016 136 V CA -0.334 61.892 62.300 -0.123 0.000 0.832 136 V CB 1.685 33.451 31.823 -0.095 0.000 0.999 136 V HN 0.939 nan 8.190 nan 0.000 0.439 137 G N 5.575 114.070 108.800 -0.508 0.000 2.335 137 G HA2 0.657 4.617 3.960 -0.000 0.000 0.314 137 G HA3 0.657 4.617 3.960 -0.000 0.000 0.314 137 G C -0.531 173.969 174.900 -0.668 0.000 1.129 137 G CA -0.476 43.835 45.100 -1.315 0.000 0.912 137 G HN 0.656 nan 8.290 nan 0.000 0.443 138 I N 2.466 122.669 120.570 -0.612 0.000 2.297 138 I HA 0.158 4.328 4.170 -0.000 0.000 0.291 138 I C -0.551 175.586 176.117 0.034 0.000 1.033 138 I CA -0.736 60.458 61.300 -0.176 0.000 1.253 138 I CB 1.052 38.975 38.000 -0.127 0.000 1.396 138 I HN 0.337 nan 8.210 nan 0.000 0.476 139 N N 5.079 123.837 118.700 0.097 0.000 2.421 139 N HA 0.423 5.163 4.740 -0.000 0.000 0.285 139 N C -0.787 174.806 175.510 0.138 0.000 1.027 139 N CA -0.447 52.721 53.050 0.195 0.000 0.918 139 N CB 1.183 39.788 38.487 0.197 0.000 1.152 139 N HN 0.441 nan 8.380 nan 0.000 0.485 140 D N 0.498 121.011 120.400 0.189 0.000 2.881 140 D HA 0.133 4.773 4.640 -0.000 0.000 0.238 140 D C -1.679 174.812 176.300 0.319 0.000 1.368 140 D CA -0.096 53.998 54.000 0.156 0.000 0.871 140 D CB 0.233 41.103 40.800 0.115 0.000 1.516 140 D HN 0.323 nan 8.370 nan 0.000 0.544 141 S N 0.319 116.199 115.700 0.300 0.000 2.540 141 S HA 0.638 5.108 4.470 -0.000 0.000 0.275 141 S C 1.067 175.844 174.600 0.295 0.000 1.123 141 S CA -0.095 58.316 58.200 0.351 0.000 0.907 141 S CB 1.439 64.800 63.200 0.268 0.000 1.081 141 S HN 0.243 nan 8.310 nan 0.000 0.476 142 G N 1.704 110.698 108.800 0.323 0.000 2.848 142 G HA2 0.489 4.449 3.960 -0.000 0.000 0.208 142 G HA3 0.489 4.449 3.960 -0.000 0.000 0.208 142 G C 0.885 175.860 174.900 0.126 0.000 1.152 142 G CA 0.405 45.655 45.100 0.251 0.000 0.789 142 G HN 1.562 nan 8.290 nan 0.000 0.531 143 G N -1.282 107.576 108.800 0.097 0.000 2.270 143 G HA2 0.473 4.433 3.960 -0.000 0.000 0.268 143 G HA3 0.473 4.433 3.960 -0.000 0.000 0.268 143 G C -0.351 174.598 174.900 0.081 0.000 1.312 143 G CA -0.247 44.899 45.100 0.078 0.000 1.050 143 G HN 1.074 nan 8.290 nan 0.000 0.474 144 A N -0.095 122.790 122.820 0.109 0.000 2.388 144 A HA 0.683 5.003 4.320 -0.000 0.000 0.257 144 A C 0.822 178.373 177.584 -0.056 0.000 1.095 144 A CA 0.397 52.479 52.037 0.076 0.000 0.791 144 A CB 0.344 19.450 19.000 0.177 0.000 1.029 144 A HN 0.945 nan 8.150 nan 0.000 0.489 145 R N 2.967 123.372 120.500 -0.158 0.000 2.291 145 R HA 0.232 4.572 4.340 -0.000 0.000 0.333 145 R C 0.459 176.666 176.300 -0.154 0.000 1.082 145 R CA -0.180 55.799 56.100 -0.201 0.000 0.948 145 R CB -0.142 29.975 30.300 -0.304 0.000 1.009 145 R HN 0.811 nan 8.270 nan 0.000 0.460 146 I N 3.389 123.882 120.570 -0.128 0.000 2.226 146 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 146 I C 1.747 177.809 176.117 -0.091 0.000 1.100 146 I CA 1.123 62.361 61.300 -0.103 0.000 1.374 146 I CB -0.129 37.794 38.000 -0.129 0.000 1.057 146 I HN 0.641 nan 8.210 nan 0.000 0.413 147 Q N 1.049 120.777 119.800 -0.120 0.000 2.173 147 Q HA -0.238 4.102 4.340 -0.000 0.000 0.208 147 Q C 1.719 177.752 176.000 0.056 0.000 0.989 147 Q CA 1.534 57.356 55.803 0.031 0.000 0.872 147 Q CB -0.319 28.393 28.738 -0.044 0.000 0.909 147 Q HN 0.529 nan 8.270 nan 0.000 0.420 148 E N -0.176 119.983 120.200 -0.067 0.000 2.511 148 E HA 0.106 4.456 4.350 -0.000 0.000 0.196 148 E C 0.961 177.547 176.600 -0.023 0.000 1.066 148 E CA 0.072 56.434 56.400 -0.064 0.000 0.871 148 E CB -0.112 29.509 29.700 -0.131 0.000 0.863 148 E HN 0.403 nan 8.360 nan 0.000 0.520 149 G N 1.301 110.107 108.800 0.010 0.000 2.602 149 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.306 149 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.306 149 G C 1.168 176.073 174.900 0.008 0.000 1.301 149 G CA 0.947 46.061 45.100 0.024 0.000 0.974 149 G HN 0.420 nan 8.290 nan 0.000 0.547 150 V N -1.681 118.242 119.914 0.015 0.000 2.794 150 V HA 0.111 4.231 4.120 -0.000 0.000 0.260 150 V C 3.113 179.205 176.094 -0.003 0.000 1.103 150 V CA 2.756 65.065 62.300 0.015 0.000 1.125 150 V CB -1.637 30.196 31.823 0.017 0.000 0.702 150 V HN 2.180 nan 8.190 nan 0.000 0.494 151 A N 1.704 124.512 122.820 -0.021 0.000 1.978 151 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 151 A C 2.568 180.102 177.584 -0.083 0.000 1.170 151 A CA 2.513 54.523 52.037 -0.045 0.000 0.636 151 A CB -0.867 18.105 19.000 -0.047 0.000 0.810 151 A HN 0.974 nan 8.150 nan 0.000 0.448 152 S N -0.329 115.315 115.700 -0.094 0.000 2.414 152 S HA 0.049 4.519 4.470 -0.000 0.000 0.227 152 S C 1.810 176.348 174.600 -0.104 0.000 1.022 152 S CA 0.964 59.054 58.200 -0.182 0.000 0.958 152 S CB -0.612 62.478 63.200 -0.182 0.000 0.797 152 S HN 0.454 nan 8.310 nan 0.000 0.493 153 L N 1.445 122.697 121.223 0.047 0.000 2.083 153 L HA 0.028 4.368 4.340 -0.000 0.000 0.209 153 L C 2.931 179.833 176.870 0.053 0.000 1.083 153 L CA 1.224 56.151 54.840 0.146 0.000 0.752 153 L CB -1.228 40.894 42.059 0.106 0.000 0.899 153 L HN 0.534 nan 8.230 nan 0.000 0.433 154 G N -0.312 108.479 108.800 -0.014 0.000 2.402 154 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.216 154 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.216 154 G C 1.802 176.645 174.900 -0.096 0.000 1.162 154 G CA 0.758 45.835 45.100 -0.039 0.000 0.777 154 G HN 0.447 nan 8.290 nan 0.000 0.539 155 A N 0.172 122.896 122.820 -0.161 0.000 1.902 155 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 155 A C 2.224 179.623 177.584 -0.309 0.000 1.181 155 A CA 1.545 53.439 52.037 -0.237 0.000 0.623 155 A CB -0.668 18.140 19.000 -0.320 0.000 0.818 155 A HN 0.358 nan 8.150 nan 0.000 0.443 156 Y N 0.234 120.327 120.300 -0.344 0.000 2.128 156 Y HA -0.115 4.435 4.550 -0.000 0.000 0.284 156 Y C 2.821 178.106 175.900 -1.025 0.000 1.154 156 Y CA 0.905 58.593 58.100 -0.686 0.000 1.149 156 Y CB -1.137 36.974 38.460 -0.581 0.000 0.976 156 Y HN 0.310 nan 8.280 nan 0.000 0.505 157 G N -0.252 108.338 108.800 -0.351 0.000 2.446 157 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 157 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 157 G C 1.612 176.447 174.900 -0.108 0.000 1.168 157 G CA 1.120 46.132 45.100 -0.147 0.000 0.771 157 G HN 0.281 nan 8.290 nan 0.000 0.551 158 E N 0.386 120.510 120.200 -0.126 0.000 2.153 158 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 158 E C 2.594 179.147 176.600 -0.079 0.000 0.988 158 E CA 0.517 56.866 56.400 -0.085 0.000 0.811 158 E CB -0.160 29.490 29.700 -0.082 0.000 0.746 158 E HN 0.554 nan 8.360 nan 0.000 0.466 159 I N 0.248 120.731 120.570 -0.145 0.000 2.286 159 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 159 I C 2.048 178.223 176.117 0.097 0.000 1.104 159 I CA 0.670 61.931 61.300 -0.064 0.000 1.397 159 I CB -0.270 37.658 38.000 -0.120 0.000 1.072 159 I HN -0.036 nan 8.210 nan 0.000 0.417 160 F N 0.857 120.850 119.950 0.072 0.000 2.134 160 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 160 F C 2.634 178.443 175.800 0.015 0.000 1.097 160 F CA 1.114 59.150 58.000 0.060 0.000 1.264 160 F CB -1.086 37.946 39.000 0.053 0.000 1.001 160 F HN 0.007 nan 8.300 nan 0.000 0.479 161 R N 0.697 121.285 120.500 0.148 0.000 2.081 161 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 161 R C 2.351 178.584 176.300 -0.112 0.000 1.131 161 R CA 1.015 57.093 56.100 -0.036 0.000 0.960 161 R CB -0.078 30.146 30.300 -0.126 0.000 0.856 161 R HN 0.136 nan 8.270 nan 0.000 0.436 162 R N 0.489 120.972 120.500 -0.029 0.000 2.081 162 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 162 R C 1.983 178.349 176.300 0.112 0.000 1.131 162 R CA 1.527 57.640 56.100 0.023 0.000 0.960 162 R CB -1.060 29.272 30.300 0.053 0.000 0.856 162 R HN 0.439 nan 8.270 nan 0.000 0.436 163 N N -0.200 118.590 118.700 0.150 0.000 2.061 163 N HA -0.147 4.593 4.740 -0.000 0.000 0.193 163 N C 1.543 177.147 175.510 0.157 0.000 1.030 163 N CA 2.129 55.284 53.050 0.176 0.000 0.856 163 N CB -0.141 38.475 38.487 0.216 0.000 1.023 163 N HN 0.192 nan 8.380 nan 0.000 0.424 164 T N -0.448 114.198 114.554 0.154 0.000 2.737 164 T HA -0.089 4.261 4.350 -0.000 0.000 0.265 164 T C 1.399 176.238 174.700 0.232 0.000 1.038 164 T CA 0.991 63.188 62.100 0.161 0.000 1.144 164 T CB -0.394 68.573 68.868 0.166 0.000 0.866 164 T HN 0.423 nan 8.240 nan 0.000 0.434 165 H N 0.335 119.441 119.070 0.059 0.000 2.457 165 H HA 0.185 4.741 4.556 -0.000 0.000 0.294 165 H C 2.275 177.638 175.328 0.057 0.000 1.064 165 H CA 0.638 56.717 56.048 0.050 0.000 1.330 165 H CB 0.114 29.907 29.762 0.052 0.000 1.395 165 H HN 0.348 nan 8.280 nan 0.000 0.541 166 A N 0.687 123.628 122.820 0.201 0.000 2.218 166 A HA 0.013 4.333 4.320 -0.000 0.000 0.209 166 A C 1.251 178.926 177.584 0.150 0.000 1.168 166 A CA -0.089 52.044 52.037 0.160 0.000 0.804 166 A CB 0.115 19.212 19.000 0.162 0.000 0.834 166 A HN 0.144 nan 8.150 nan 0.000 0.482 167 S N 0.195 115.970 115.700 0.125 0.000 2.555 167 S HA 0.367 4.837 4.470 -0.000 0.000 0.293 167 S C 1.403 176.016 174.600 0.022 0.000 1.248 167 S CA 0.919 59.174 58.200 0.091 0.000 1.096 167 S CB -0.354 62.879 63.200 0.055 0.000 0.881 167 S HN 1.792 nan 8.310 nan 0.000 0.498 168 G N 3.009 111.807 108.800 -0.003 0.000 2.162 168 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.260 168 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.260 168 G C 0.550 175.274 174.900 -0.292 0.000 0.976 168 G CA 0.348 45.234 45.100 -0.356 0.000 0.655 168 G HN 0.784 nan 8.290 nan 0.000 0.533 169 V N 0.375 120.333 119.914 0.074 0.000 2.743 169 V HA 0.425 4.544 4.120 -0.000 0.000 0.237 169 V C 1.258 177.577 176.094 0.376 0.000 1.113 169 V CA 1.685 64.073 62.300 0.148 0.000 1.141 169 V CB 0.113 31.998 31.823 0.103 0.000 0.873 169 V HN 0.701 nan 8.190 nan 0.000 0.486 170 I N -1.879 118.914 120.570 0.372 0.000 2.608 170 I HA 0.611 4.781 4.170 -0.000 0.000 0.295 170 I C -3.090 173.130 176.117 0.172 0.000 1.049 170 I CA -2.725 58.722 61.300 0.245 0.000 1.063 170 I CB 2.062 40.135 38.000 0.122 0.000 1.248 170 I HN -0.045 nan 8.210 nan 0.000 0.424 171 P HA 0.141 nan 4.420 nan 0.000 0.268 171 P C -1.359 175.938 177.300 -0.005 0.000 1.204 171 P CA 0.136 63.067 63.100 -0.282 0.000 0.768 171 P CB 0.436 31.873 31.700 -0.438 0.000 0.842 172 Q N 2.637 122.484 119.800 0.080 0.000 2.309 172 Q HA 0.527 4.867 4.340 -0.000 0.000 0.270 172 Q C -0.661 175.416 176.000 0.129 0.000 1.023 172 Q CA -0.349 55.522 55.803 0.113 0.000 0.758 172 Q CB 1.686 30.512 28.738 0.147 0.000 1.247 172 Q HN 0.416 nan 8.270 nan 0.000 0.455 173 I N 1.188 121.826 120.570 0.113 0.000 2.433 173 I HA 0.372 4.542 4.170 -0.000 0.000 0.292 173 I C -0.294 175.878 176.117 0.092 0.000 1.001 173 I CA -0.688 60.699 61.300 0.145 0.000 1.119 173 I CB 2.165 40.244 38.000 0.132 0.000 1.289 173 I HN 0.416 nan 8.210 nan 0.000 0.438 174 S N 6.685 122.462 115.700 0.128 0.000 2.433 174 S HA 0.486 4.956 4.470 -0.000 0.000 0.310 174 S C -0.443 174.209 174.600 0.086 0.000 1.097 174 S CA -0.518 57.736 58.200 0.090 0.000 1.103 174 S CB 1.109 64.385 63.200 0.127 0.000 0.992 174 S HN 0.406 nan 8.310 nan 0.000 0.469 175 L N 4.983 126.222 121.223 0.028 0.000 2.277 175 L HA 0.494 4.834 4.340 -0.000 0.000 0.284 175 L C -1.141 175.745 176.870 0.027 0.000 1.028 175 L CA -0.572 54.289 54.840 0.035 0.000 0.835 175 L CB 0.825 42.885 42.059 0.003 0.000 1.215 175 L HN 0.379 nan 8.230 nan 0.000 0.425 176 V N 5.983 125.919 119.914 0.036 0.000 2.318 176 V HA 0.133 4.253 4.120 -0.000 0.000 0.271 176 V C 0.597 176.691 176.094 0.001 0.000 1.030 176 V CA -0.391 61.923 62.300 0.024 0.000 0.844 176 V CB 1.272 33.103 31.823 0.014 0.000 1.015 176 V HN 0.626 nan 8.190 nan 0.000 0.460 177 V N 1.867 121.781 119.914 0.000 0.000 2.854 177 V HA 0.921 5.041 4.120 -0.000 0.000 0.366 177 V C 0.495 176.564 176.094 -0.042 0.000 1.322 177 V CA 0.392 62.680 62.300 -0.020 0.000 1.243 177 V CB -0.111 31.706 31.823 -0.010 0.000 1.337 177 V HN 0.897 nan 8.190 nan 0.000 0.585 178 G N 0.247 109.023 108.800 -0.041 0.000 2.364 178 G HA2 0.524 4.484 3.960 -0.000 0.000 0.286 178 G HA3 0.524 4.484 3.960 -0.000 0.000 0.286 178 G C -3.592 171.296 174.900 -0.020 0.000 1.241 178 G CA -0.717 44.329 45.100 -0.090 0.000 0.887 178 G HN 0.154 nan 8.290 nan 0.000 0.484 179 P HA 0.483 nan 4.420 nan 0.000 0.274 179 P C -0.673 176.628 177.300 0.002 0.000 1.237 179 P CA -0.276 62.839 63.100 0.025 0.000 0.793 179 P CB 1.501 33.227 31.700 0.045 0.000 0.977 180 C N 2.602 121.831 119.300 -0.118 0.000 3.220 180 C HA 0.735 5.195 4.460 -0.000 0.000 0.352 180 C C -0.623 174.111 174.990 -0.427 0.000 1.031 180 C CA -0.003 58.926 59.018 -0.148 0.000 1.338 180 C CB -1.120 26.566 27.740 -0.091 0.000 1.763 180 C HN 0.662 nan 8.230 nan 0.000 0.548 181 A N 3.768 126.329 122.820 -0.432 0.000 2.356 181 A HA 0.985 5.305 4.320 -0.000 0.000 0.323 181 A C 0.633 178.030 177.584 -0.313 0.000 1.119 181 A CA 0.688 52.329 52.037 -0.659 0.000 0.790 181 A CB 0.933 19.585 19.000 -0.581 0.000 1.273 181 A HN 2.657 nan 8.150 nan 0.000 0.452 182 G N 0.400 109.050 108.800 -0.249 0.000 2.598 182 G HA2 0.146 4.106 3.960 -0.000 0.000 0.244 182 G HA3 0.146 4.106 3.960 -0.000 0.000 0.244 182 G C 1.176 175.921 174.900 -0.258 0.000 1.302 182 G CA 0.426 45.430 45.100 -0.160 0.000 0.903 182 G HN 2.071 nan 8.290 nan 0.000 0.575 183 G N -0.148 108.522 108.800 -0.217 0.000 2.499 183 G HA2 0.182 4.142 3.960 -0.000 0.000 0.221 183 G HA3 0.182 4.142 3.960 -0.000 0.000 0.221 183 G C 2.127 176.920 174.900 -0.178 0.000 1.109 183 G CA 2.822 47.846 45.100 -0.126 0.000 0.749 183 G HN 2.049 nan 8.290 nan 0.000 0.568 184 A N 0.668 123.231 122.820 -0.428 0.000 1.986 184 A HA -0.056 4.264 4.320 -0.000 0.000 0.220 184 A C 2.707 180.271 177.584 -0.033 0.000 1.171 184 A CA 2.435 54.349 52.037 -0.205 0.000 0.640 184 A CB -0.744 18.215 19.000 -0.068 0.000 0.811 184 A HN 1.021 nan 8.150 nan 0.000 0.451 185 V N -4.019 115.753 119.914 -0.237 0.000 2.594 185 V HA -0.241 3.879 4.120 -0.000 0.000 0.253 185 V C 2.145 178.099 176.094 -0.233 0.000 1.069 185 V CA 1.830 63.961 62.300 -0.282 0.000 1.082 185 V CB -1.448 30.104 31.823 -0.451 0.000 0.680 185 V HN 0.514 nan 8.190 nan 0.000 0.469 186 Y N 1.192 121.423 120.300 -0.116 0.000 2.421 186 Y HA -0.017 4.533 4.550 -0.000 0.000 0.292 186 Y C 3.069 178.875 175.900 -0.156 0.000 1.136 186 Y CA 1.096 59.032 58.100 -0.273 0.000 1.255 186 Y CB -0.863 37.192 38.460 -0.676 0.000 0.991 186 Y HN 0.387 nan 8.280 nan 0.000 0.552 187 S N 0.044 115.924 115.700 0.300 0.000 2.345 187 S HA -0.069 4.401 4.470 -0.000 0.000 0.219 187 S C -0.470 174.273 174.600 0.238 0.000 1.031 187 S CA 1.102 59.544 58.200 0.403 0.000 0.984 187 S CB -1.029 62.478 63.200 0.512 0.000 0.874 187 S HN 0.181 nan 8.310 nan 0.000 0.451 188 P HA 0.080 nan 4.420 nan 0.000 0.220 188 P C 1.396 178.757 177.300 0.102 0.000 1.148 188 P CA 1.343 64.528 63.100 0.141 0.000 0.803 188 P CB -0.205 31.553 31.700 0.097 0.000 0.782 189 A N -0.381 122.480 122.820 0.068 0.000 1.908 189 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 189 A C 2.103 179.727 177.584 0.065 0.000 1.181 189 A CA 1.576 53.644 52.037 0.053 0.000 0.627 189 A CB -1.598 17.443 19.000 0.068 0.000 0.818 189 A HN 0.156 nan 8.150 nan 0.000 0.445 190 I N 0.416 121.031 120.570 0.075 0.000 2.761 190 I HA -0.078 4.092 4.170 -0.000 0.000 0.261 190 I C 1.482 177.648 176.117 0.082 0.000 1.198 190 I CA 0.698 62.037 61.300 0.066 0.000 1.482 190 I CB -0.673 37.368 38.000 0.070 0.000 1.100 190 I HN 0.430 nan 8.210 nan 0.000 0.445 191 T N -1.743 112.876 114.554 0.109 0.000 2.802 191 T HA -0.005 4.345 4.350 -0.000 0.000 0.305 191 T C 0.912 175.635 174.700 0.038 0.000 1.053 191 T CA -0.434 61.729 62.100 0.106 0.000 1.058 191 T CB 0.928 69.879 68.868 0.138 0.000 0.988 191 T HN 0.089 nan 8.240 nan 0.000 0.539 192 D N 0.047 120.439 120.400 -0.012 0.000 2.123 192 D HA 0.059 4.699 4.640 -0.000 0.000 0.200 192 D C 0.015 175.897 176.300 -0.697 0.000 0.976 192 D CA 1.330 55.160 54.000 -0.284 0.000 0.831 192 D CB -0.031 40.649 40.800 -0.201 0.000 0.974 192 D HN 0.493 nan 8.370 nan 0.000 0.469 193 F N -0.279 119.644 119.950 -0.044 0.000 2.578 193 F HA 0.323 4.850 4.527 -0.000 0.000 0.311 193 F C -0.138 175.724 175.800 0.104 0.000 1.094 193 F CA -0.740 57.154 58.000 -0.176 0.000 0.923 193 F CB 2.386 41.351 39.000 -0.059 0.000 1.230 193 F HN -0.483 nan 8.300 nan 0.000 0.450 194 T N 2.550 117.403 114.554 0.498 0.000 2.840 194 T HA 0.481 4.831 4.350 -0.000 0.000 0.287 194 T C -1.351 173.533 174.700 0.307 0.000 0.991 194 T CA -0.574 61.727 62.100 0.334 0.000 0.964 194 T CB 1.577 70.588 68.868 0.238 0.000 0.954 194 T HN 0.470 nan 8.240 nan 0.000 0.438 195 V N 6.135 126.179 119.914 0.217 0.000 2.384 195 V HA 0.672 4.792 4.120 -0.000 0.000 0.287 195 V C -0.614 175.520 176.094 0.067 0.000 1.020 195 V CA -0.621 61.773 62.300 0.158 0.000 0.850 195 V CB 0.995 32.948 31.823 0.216 0.000 0.987 195 V HN 0.884 nan 8.190 nan 0.000 0.436 196 M N 5.445 125.043 119.600 -0.004 0.000 2.706 196 M HA 0.652 5.132 4.480 -0.000 0.000 0.304 196 M C -1.024 175.222 176.300 -0.090 0.000 1.217 196 M CA -0.945 54.329 55.300 -0.045 0.000 0.922 196 M CB 2.237 34.804 32.600 -0.055 0.000 1.637 196 M HN 0.404 nan 8.290 nan 0.000 0.492 197 V N 0.200 120.059 119.914 -0.092 0.000 2.604 197 V HA 0.230 4.350 4.120 -0.000 0.000 0.305 197 V C -0.732 175.290 176.094 -0.120 0.000 1.043 197 V CA -0.835 61.407 62.300 -0.097 0.000 0.888 197 V CB 1.907 33.693 31.823 -0.061 0.000 0.995 197 V HN 0.703 nan 8.190 nan 0.000 0.429 198 D N 3.690 124.024 120.400 -0.110 0.000 2.458 198 D HA 0.089 4.729 4.640 -0.000 0.000 0.243 198 D C 0.761 177.011 176.300 -0.083 0.000 1.146 198 D CA 0.648 54.588 54.000 -0.101 0.000 0.877 198 D CB 0.585 41.335 40.800 -0.083 0.000 1.176 198 D HN 0.580 nan 8.370 nan 0.000 0.461 199 Q N 2.033 121.778 119.800 -0.093 0.000 2.436 199 Q HA -0.214 4.126 4.340 -0.000 0.000 0.264 199 Q C 0.450 176.449 176.000 -0.001 0.000 1.093 199 Q CA 1.265 57.053 55.803 -0.025 0.000 0.994 199 Q CB -2.332 26.411 28.738 0.008 0.000 1.434 199 Q HN 0.578 nan 8.270 nan 0.000 0.520 200 T N -2.199 112.306 114.554 -0.081 0.000 3.010 200 T HA 0.086 4.436 4.350 -0.000 0.000 0.253 200 T C 0.407 175.061 174.700 -0.076 0.000 0.939 200 T CA 0.637 62.714 62.100 -0.038 0.000 0.910 200 T CB 0.624 69.466 68.868 -0.043 0.000 1.226 200 T HN 0.426 nan 8.240 nan 0.000 0.508 201 S N 1.190 116.746 115.700 -0.240 0.000 2.566 201 S HA 0.815 5.285 4.470 -0.000 0.000 0.298 201 S C -1.480 172.801 174.600 -0.533 0.000 1.083 201 S CA -0.735 57.336 58.200 -0.215 0.000 0.978 201 S CB 1.779 64.905 63.200 -0.124 0.000 1.073 201 S HN 0.378 nan 8.310 nan 0.000 0.491 202 H N -0.011 119.102 119.070 0.071 0.000 3.038 202 H HA 0.600 5.156 4.556 -0.000 0.000 0.362 202 H C -1.086 174.330 175.328 0.147 0.000 1.167 202 H CA -0.509 55.655 56.048 0.194 0.000 1.197 202 H CB 1.621 31.560 29.762 0.295 0.000 1.840 202 H HN 0.603 nan 8.280 nan 0.000 0.540 203 M N 3.425 123.223 119.600 0.331 0.000 2.393 203 M HA 0.581 5.061 4.480 -0.000 0.000 0.299 203 M C -1.677 174.792 176.300 0.282 0.000 1.103 203 M CA -0.790 54.534 55.300 0.040 0.000 0.910 203 M CB 2.153 34.637 32.600 -0.193 0.000 1.659 203 M HN 0.597 nan 8.290 nan 0.000 0.445 204 F N 0.028 120.033 119.950 0.092 0.000 2.725 204 F HA 0.470 4.997 4.527 -0.000 0.000 0.311 204 F C -0.760 175.035 175.800 -0.009 0.000 1.121 204 F CA -1.116 56.934 58.000 0.084 0.000 0.978 204 F CB 0.361 39.449 39.000 0.146 0.000 1.274 204 F HN 0.389 nan 8.300 nan 0.000 0.440 205 I N 0.838 121.488 120.570 0.134 0.000 2.277 205 I HA 0.009 4.179 4.170 -0.000 0.000 0.243 205 I C 0.694 176.917 176.117 0.178 0.000 1.094 205 I CA 1.331 62.644 61.300 0.022 0.000 1.393 205 I CB -0.493 37.503 38.000 -0.007 0.000 1.078 205 I HN 0.719 nan 8.210 nan 0.000 0.417 206 T N 0.784 115.502 114.554 0.274 0.000 2.824 206 T HA 0.560 4.910 4.350 -0.000 0.000 0.282 206 T C 0.268 175.077 174.700 0.181 0.000 0.993 206 T CA -0.587 61.646 62.100 0.220 0.000 0.967 206 T CB 2.006 70.927 68.868 0.088 0.000 0.960 206 T HN 0.297 nan 8.240 nan 0.000 0.441 207 G N 2.566 111.435 108.800 0.115 0.000 2.636 207 G HA2 0.333 4.293 3.960 -0.000 0.000 0.246 207 G HA3 0.333 4.293 3.960 -0.000 0.000 0.246 207 G C -1.624 173.061 174.900 -0.358 0.000 1.216 207 G CA -1.236 43.706 45.100 -0.264 0.000 0.854 207 G HN 0.405 nan 8.290 nan 0.000 0.572 208 P HA -0.123 nan 4.420 nan 0.000 0.215 208 P C 1.468 178.588 177.300 -0.300 0.000 1.157 208 P CA 1.660 64.453 63.100 -0.513 0.000 0.868 208 P CB 0.100 31.321 31.700 -0.797 0.000 0.788 209 D N -0.656 119.589 120.400 -0.258 0.000 2.158 209 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 209 D C 1.729 177.975 176.300 -0.090 0.000 0.995 209 D CA 1.278 55.197 54.000 -0.136 0.000 0.846 209 D CB -1.403 39.350 40.800 -0.078 0.000 0.941 209 D HN 0.065 nan 8.370 nan 0.000 0.456 210 V N 1.555 121.421 119.914 -0.079 0.000 2.346 210 V HA -0.148 3.972 4.120 -0.000 0.000 0.244 210 V C 2.677 178.741 176.094 -0.050 0.000 1.037 210 V CA 1.469 63.743 62.300 -0.043 0.000 1.029 210 V CB -0.701 31.115 31.823 -0.012 0.000 0.663 210 V HN 0.375 nan 8.190 nan 0.000 0.454 211 I N -0.641 119.885 120.570 -0.072 0.000 2.361 211 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 211 I C 2.416 178.494 176.117 -0.065 0.000 1.133 211 I CA 1.974 63.236 61.300 -0.064 0.000 1.413 211 I CB -0.466 37.486 38.000 -0.080 0.000 1.073 211 I HN 0.194 nan 8.210 nan 0.000 0.424 212 K N 2.316 122.666 120.400 -0.083 0.000 1.985 212 K HA -0.161 4.159 4.320 -0.000 0.000 0.210 212 K C 2.203 178.773 176.600 -0.050 0.000 1.047 212 K CA 3.009 59.252 56.287 -0.073 0.000 0.932 212 K CB -1.162 31.285 32.500 -0.087 0.000 0.716 212 K HN 0.616 nan 8.250 nan 0.000 0.439 213 T N -1.787 112.741 114.554 -0.044 0.000 2.803 213 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 213 T C 1.888 176.573 174.700 -0.024 0.000 1.052 213 T CA 1.559 63.641 62.100 -0.031 0.000 1.136 213 T CB -0.559 68.294 68.868 -0.026 0.000 0.864 213 T HN -0.018 nan 8.240 nan 0.000 0.467 214 V N 2.014 121.913 119.914 -0.025 0.000 2.725 214 V HA 0.046 4.166 4.120 -0.000 0.000 0.247 214 V C 2.849 178.932 176.094 -0.018 0.000 1.058 214 V CA 1.628 63.917 62.300 -0.018 0.000 1.080 214 V CB -0.346 31.468 31.823 -0.014 0.000 0.713 214 V HN 0.828 nan 8.190 nan 0.000 0.465 215 T N -3.863 110.676 114.554 -0.024 0.000 2.959 215 T HA 0.354 4.704 4.350 -0.000 0.000 0.254 215 T C 1.478 176.162 174.700 -0.026 0.000 1.003 215 T CA 0.750 62.837 62.100 -0.022 0.000 0.950 215 T CB 0.889 69.743 68.868 -0.024 0.000 1.090 215 T HN 0.936 nan 8.240 nan 0.000 0.503 216 G N 1.707 110.488 108.800 -0.032 0.000 2.182 216 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.248 216 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.248 216 G C -0.458 174.418 174.900 -0.039 0.000 1.042 216 G CA -0.072 45.008 45.100 -0.033 0.000 0.775 216 G HN 0.670 nan 8.290 nan 0.000 0.501 217 E N 0.607 120.778 120.200 -0.048 0.000 2.151 217 E HA 0.360 4.710 4.350 -0.000 0.000 0.275 217 E C -0.901 175.655 176.600 -0.074 0.000 0.936 217 E CA -0.789 55.579 56.400 -0.054 0.000 0.777 217 E CB 1.344 31.012 29.700 -0.054 0.000 1.108 217 E HN 0.182 nan 8.360 nan 0.000 0.401 218 D N 2.517 122.875 120.400 -0.070 0.000 2.280 218 D HA 0.304 4.944 4.640 -0.000 0.000 0.243 218 D C -1.116 175.126 176.300 -0.098 0.000 1.129 218 D CA -0.018 53.931 54.000 -0.085 0.000 0.848 218 D CB 1.846 42.606 40.800 -0.066 0.000 1.107 218 D HN 0.089 nan 8.370 nan 0.000 0.471 219 V N 1.774 121.605 119.914 -0.140 0.000 3.012 219 V HA 0.669 4.789 4.120 -0.000 0.000 0.307 219 V C -0.070 175.893 176.094 -0.218 0.000 1.166 219 V CA -0.546 61.664 62.300 -0.150 0.000 0.974 219 V CB 2.239 33.973 31.823 -0.149 0.000 1.040 219 V HN 0.539 nan 8.190 nan 0.000 0.428 220 G N 2.547 111.246 108.800 -0.168 0.000 2.502 220 G HA2 0.447 4.407 3.960 -0.000 0.000 0.305 220 G HA3 0.447 4.407 3.960 -0.000 0.000 0.305 220 G C 0.129 174.902 174.900 -0.212 0.000 1.190 220 G CA -0.255 44.737 45.100 -0.181 0.000 0.933 220 G HN 0.650 nan 8.290 nan 0.000 0.503 221 F N -0.443 119.410 119.950 -0.162 0.000 2.134 221 F HA -0.044 4.483 4.527 -0.000 0.000 0.299 221 F C 2.617 178.421 175.800 0.007 0.000 1.097 221 F CA 1.698 59.575 58.000 -0.205 0.000 1.264 221 F CB -0.046 38.724 39.000 -0.385 0.000 1.001 221 F HN 0.517 nan 8.300 nan 0.000 0.479 222 E N 0.614 120.956 120.200 0.236 0.000 2.058 222 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 222 E C 2.117 178.788 176.600 0.118 0.000 0.997 222 E CA 1.758 58.314 56.400 0.260 0.000 0.801 222 E CB -0.334 29.473 29.700 0.179 0.000 0.746 222 E HN 0.475 nan 8.360 nan 0.000 0.450 223 E N -0.782 119.441 120.200 0.039 0.000 2.072 223 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 223 E C 2.081 178.657 176.600 -0.040 0.000 0.985 223 E CA 0.876 57.267 56.400 -0.014 0.000 0.801 223 E CB -0.151 29.528 29.700 -0.034 0.000 0.750 223 E HN 0.239 nan 8.360 nan 0.000 0.452 224 L N -0.269 120.928 121.223 -0.044 0.000 1.970 224 L HA -0.053 4.287 4.340 -0.000 0.000 0.212 224 L C 1.571 178.430 176.870 -0.019 0.000 1.071 224 L CA 2.429 57.236 54.840 -0.056 0.000 0.751 224 L CB -0.338 41.640 42.059 -0.134 0.000 0.889 224 L HN 0.158 nan 8.230 nan 0.000 0.432 225 G N -1.287 107.587 108.800 0.123 0.000 4.867 225 G HA2 0.447 4.407 3.960 -0.000 0.000 0.258 225 G HA3 0.447 4.407 3.960 -0.000 0.000 0.258 225 G C 0.272 175.332 174.900 0.266 0.000 0.999 225 G CA 0.094 45.300 45.100 0.177 0.000 0.797 225 G HN 0.646 nan 8.290 nan 0.000 0.505 226 G N -0.604 108.274 108.800 0.130 0.000 2.616 226 G HA2 0.499 4.459 3.960 -0.000 0.000 0.268 226 G HA3 0.499 4.459 3.960 -0.000 0.000 0.268 226 G C 1.330 176.200 174.900 -0.050 0.000 1.213 226 G CA 0.352 45.449 45.100 -0.005 0.000 0.926 226 G HN 0.546 nan 8.290 nan 0.000 0.523 227 A N 0.083 122.830 122.820 -0.121 0.000 1.892 227 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 227 A C 2.350 179.897 177.584 -0.063 0.000 1.188 227 A CA 2.113 54.104 52.037 -0.078 0.000 0.631 227 A CB -0.563 18.361 19.000 -0.127 0.000 0.822 227 A HN 0.699 nan 8.150 nan 0.000 0.447 228 R N -1.019 119.437 120.500 -0.073 0.000 2.083 228 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 228 R C 2.228 178.491 176.300 -0.061 0.000 1.137 228 R CA 2.156 58.220 56.100 -0.060 0.000 0.951 228 R CB -0.736 29.536 30.300 -0.046 0.000 0.851 228 R HN 0.496 nan 8.270 nan 0.000 0.434 229 T N 0.282 114.776 114.554 -0.100 0.000 2.665 229 T HA -0.159 4.190 4.350 -0.000 0.000 0.268 229 T C 1.432 176.004 174.700 -0.213 0.000 1.035 229 T CA 1.491 63.487 62.100 -0.173 0.000 1.151 229 T CB -0.351 68.350 68.868 -0.279 0.000 0.862 229 T HN 0.410 nan 8.240 nan 0.000 0.438 230 H N 0.332 119.369 119.070 -0.056 0.000 2.547 230 H HA 0.182 4.738 4.556 -0.000 0.000 0.272 230 H C 1.625 176.854 175.328 -0.164 0.000 0.989 230 H CA 0.619 56.602 56.048 -0.107 0.000 1.214 230 H CB -0.053 29.658 29.762 -0.085 0.000 1.389 230 H HN 0.352 nan 8.280 nan 0.000 0.577 231 N N -1.066 117.617 118.700 -0.028 0.000 2.322 231 N HA -0.040 4.700 4.740 -0.000 0.000 0.181 231 N C 1.580 177.103 175.510 0.022 0.000 1.088 231 N CA 0.307 53.326 53.050 -0.051 0.000 0.885 231 N CB 0.671 39.124 38.487 -0.058 0.000 1.013 231 N HN -0.017 nan 8.380 nan 0.000 0.472 232 S N -2.036 113.694 115.700 0.051 0.000 2.593 232 S HA 0.201 4.671 4.470 -0.000 0.000 0.235 232 S C 1.200 175.961 174.600 0.269 0.000 1.059 232 S CA 0.307 58.611 58.200 0.175 0.000 0.953 232 S CB 0.179 63.432 63.200 0.088 0.000 0.897 232 S HN 0.150 nan 8.310 nan 0.000 0.507 233 T N 0.804 115.433 114.554 0.126 0.000 3.151 233 T HA 0.105 4.455 4.350 -0.000 0.000 0.239 233 T C 2.004 176.767 174.700 0.105 0.000 0.979 233 T CA 0.883 63.068 62.100 0.141 0.000 1.194 233 T CB -0.352 68.536 68.868 0.032 0.000 0.982 233 T HN 0.467 nan 8.240 nan 0.000 0.428 234 S N 1.095 116.763 115.700 -0.055 0.000 2.428 234 S HA 0.241 4.711 4.470 -0.000 0.000 0.230 234 S C 1.945 176.342 174.600 -0.338 0.000 1.014 234 S CA 0.947 59.103 58.200 -0.074 0.000 0.957 234 S CB -0.699 62.548 63.200 0.078 0.000 0.784 234 S HN 0.928 nan 8.310 nan 0.000 0.499 235 G N 0.558 108.850 108.800 -0.848 0.000 2.176 235 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.252 235 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.252 235 G C 0.683 175.192 174.900 -0.651 0.000 1.024 235 G CA 0.749 44.941 45.100 -1.513 0.000 0.755 235 G HN 1.459 nan 8.290 nan 0.000 0.507 236 V N -3.564 116.128 119.914 -0.371 0.000 2.795 236 V HA 0.739 4.859 4.120 -0.000 0.000 0.243 236 V C 1.460 177.387 176.094 -0.278 0.000 1.069 236 V CA 1.484 63.630 62.300 -0.257 0.000 1.089 236 V CB -0.082 31.622 31.823 -0.199 0.000 0.756 236 V HN 1.678 nan 8.190 nan 0.000 0.471 237 A N -0.220 122.462 122.820 -0.231 0.000 2.293 237 A HA 0.665 4.985 4.320 -0.000 0.000 0.302 237 A C 0.333 177.786 177.584 -0.217 0.000 1.119 237 A CA -0.162 51.795 52.037 -0.133 0.000 0.823 237 A CB 0.457 19.438 19.000 -0.031 0.000 1.097 237 A HN 0.602 nan 8.150 nan 0.000 0.491 238 H N -0.925 118.213 119.070 0.113 0.000 2.648 238 H HA 0.255 4.811 4.556 -0.000 0.000 0.265 238 H C -0.171 175.235 175.328 0.129 0.000 0.961 238 H CA 1.180 57.339 56.048 0.186 0.000 1.185 238 H CB 0.297 30.307 29.762 0.412 0.000 1.449 238 H HN 0.807 nan 8.280 nan 0.000 0.523 239 H N -0.194 118.860 119.070 -0.027 0.000 3.094 239 H HA 0.339 4.895 4.556 -0.000 0.000 0.346 239 H C -1.631 173.562 175.328 -0.225 0.000 1.238 239 H CA -0.970 54.908 56.048 -0.282 0.000 1.209 239 H CB 1.104 30.349 29.762 -0.861 0.000 1.911 239 H HN 0.071 nan 8.280 nan 0.000 0.540 240 M N 4.358 123.389 119.600 -0.949 0.000 2.085 240 M HA 0.736 5.216 4.480 -0.000 0.000 0.309 240 M C -1.359 174.446 176.300 -0.825 0.000 0.947 240 M CA -0.643 54.281 55.300 -0.628 0.000 0.918 240 M CB 0.881 33.276 32.600 -0.342 0.000 1.504 240 M HN 0.717 nan 8.290 nan 0.000 0.420 241 A N 3.048 125.572 122.820 -0.494 0.000 2.302 241 A HA 0.667 4.987 4.320 -0.000 0.000 0.285 241 A C 0.998 178.508 177.584 -0.123 0.000 1.105 241 A CA -0.164 51.746 52.037 -0.212 0.000 0.816 241 A CB 0.705 19.705 19.000 -0.000 0.000 1.067 241 A HN 1.064 nan 8.150 nan 0.000 0.489 242 G N -0.008 108.759 108.800 -0.054 0.000 2.572 242 G HA2 0.268 4.228 3.960 -0.000 0.000 0.216 242 G HA3 0.268 4.228 3.960 -0.000 0.000 0.216 242 G C 0.270 175.155 174.900 -0.025 0.000 1.133 242 G CA 1.067 46.143 45.100 -0.040 0.000 0.791 242 G HN 1.012 nan 8.290 nan 0.000 0.538 243 D N -2.244 118.149 120.400 -0.011 0.000 2.725 243 D HA 0.029 4.669 4.640 -0.000 0.000 0.292 243 D C 0.249 176.555 176.300 0.009 0.000 1.288 243 D CA -0.545 53.452 54.000 -0.005 0.000 0.784 243 D CB 0.171 40.971 40.800 -0.000 0.000 1.308 243 D HN 0.044 nan 8.370 nan 0.000 0.429 244 E N 0.153 120.357 120.200 0.006 0.000 2.077 244 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 244 E C 1.769 178.385 176.600 0.026 0.000 0.989 244 E CA 1.037 57.446 56.400 0.014 0.000 0.800 244 E CB 0.116 29.820 29.700 0.006 0.000 0.746 244 E HN 0.410 nan 8.360 nan 0.000 0.452 245 K N 1.121 121.533 120.400 0.021 0.000 2.020 245 K HA -0.245 4.075 4.320 -0.000 0.000 0.212 245 K C 1.555 178.185 176.600 0.050 0.000 1.050 245 K CA 2.111 58.412 56.287 0.024 0.000 0.929 245 K CB -0.063 32.446 32.500 0.015 0.000 0.714 245 K HN -0.039 nan 8.250 nan 0.000 0.443 246 D N 0.049 120.488 120.400 0.065 0.000 2.144 246 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 246 D C 1.715 178.114 176.300 0.166 0.000 0.984 246 D CA 1.338 55.405 54.000 0.111 0.000 0.834 246 D CB -0.157 40.710 40.800 0.111 0.000 0.955 246 D HN 0.396 nan 8.370 nan 0.000 0.465 247 A N 0.235 123.137 122.820 0.136 0.000 1.873 247 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 247 A C 2.458 180.145 177.584 0.171 0.000 1.186 247 A CA 1.221 53.361 52.037 0.171 0.000 0.616 247 A CB -0.829 18.228 19.000 0.095 0.000 0.823 247 A HN 0.138 nan 8.150 nan 0.000 0.442 248 V N 0.301 120.273 119.914 0.096 0.000 2.332 248 V HA -0.265 3.855 4.120 -0.000 0.000 0.248 248 V C 2.641 178.774 176.094 0.066 0.000 1.055 248 V CA 2.506 64.842 62.300 0.060 0.000 1.038 248 V CB -0.759 31.074 31.823 0.017 0.000 0.651 248 V HN 0.746 nan 8.190 nan 0.000 0.450 249 E N -0.309 119.938 120.200 0.078 0.000 2.118 249 E HA -0.269 4.081 4.350 -0.000 0.000 0.195 249 E C 2.003 178.650 176.600 0.079 0.000 0.992 249 E CA 1.633 58.067 56.400 0.057 0.000 0.804 249 E CB -0.532 29.209 29.700 0.068 0.000 0.741 249 E HN 0.682 nan 8.360 nan 0.000 0.458 250 Y N 0.227 120.557 120.300 0.050 0.000 2.181 250 Y HA -0.187 4.363 4.550 -0.000 0.000 0.288 250 Y C 2.273 178.215 175.900 0.071 0.000 1.146 250 Y CA 1.974 60.128 58.100 0.089 0.000 1.164 250 Y CB -0.283 38.190 38.460 0.023 0.000 0.982 250 Y HN 0.106 nan 8.280 nan 0.000 0.515 251 V N -1.159 118.843 119.914 0.147 0.000 2.515 251 V HA -0.209 3.911 4.120 -0.000 0.000 0.250 251 V C 2.030 178.066 176.094 -0.097 0.000 1.058 251 V CA 2.032 64.355 62.300 0.039 0.000 1.064 251 V CB -0.617 31.246 31.823 0.067 0.000 0.675 251 V HN 0.314 nan 8.190 nan 0.000 0.461 252 K N -0.395 119.945 120.400 -0.101 0.000 2.063 252 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 252 K C 2.483 178.916 176.600 -0.279 0.000 1.048 252 K CA 1.918 58.113 56.287 -0.154 0.000 0.928 252 K CB -0.278 32.151 32.500 -0.118 0.000 0.713 252 K HN 0.496 nan 8.250 nan 0.000 0.442 253 Q N 0.636 120.208 119.800 -0.380 0.000 2.020 253 Q HA -0.156 4.184 4.340 -0.000 0.000 0.202 253 Q C 2.240 177.817 176.000 -0.706 0.000 0.982 253 Q CA 1.135 56.523 55.803 -0.692 0.000 0.838 253 Q CB -0.458 27.636 28.738 -1.073 0.000 0.899 253 Q HN 0.189 nan 8.270 nan 0.000 0.423 254 L N 0.722 121.619 121.223 -0.544 0.000 2.013 254 L HA -0.193 4.147 4.340 -0.000 0.000 0.212 254 L C 2.366 179.042 176.870 -0.324 0.000 1.073 254 L CA 1.548 56.175 54.840 -0.355 0.000 0.753 254 L CB -0.995 40.898 42.059 -0.277 0.000 0.890 254 L HN 0.190 nan 8.230 nan 0.000 0.432 255 L N -1.049 120.009 121.223 -0.275 0.000 2.083 255 L HA -0.227 4.113 4.340 -0.000 0.000 0.209 255 L C 2.597 179.289 176.870 -0.298 0.000 1.083 255 L CA 1.443 56.139 54.840 -0.240 0.000 0.752 255 L CB -0.722 41.232 42.059 -0.174 0.000 0.899 255 L HN 0.480 nan 8.230 nan 0.000 0.433 256 S N -1.045 114.416 115.700 -0.398 0.000 2.442 256 S HA -0.203 4.267 4.470 -0.000 0.000 0.236 256 S C 1.699 175.961 174.600 -0.564 0.000 1.007 256 S CA 0.960 58.875 58.200 -0.475 0.000 0.965 256 S CB -0.537 62.310 63.200 -0.587 0.000 0.773 256 S HN 0.446 nan 8.310 nan 0.000 0.504 257 Y N 1.241 121.284 120.300 -0.428 0.000 2.500 257 Y HA 0.502 5.052 4.550 -0.000 0.000 0.270 257 Y C 0.835 176.473 175.900 -0.436 0.000 1.134 257 Y CA -0.388 57.420 58.100 -0.486 0.000 1.293 257 Y CB 0.019 37.943 38.460 -0.893 0.000 1.063 257 Y HN 0.206 nan 8.280 nan 0.000 0.534 258 L N 1.937 122.999 121.223 -0.269 0.000 2.334 258 L HA 0.444 4.784 4.340 -0.000 0.000 0.272 258 L C -2.250 174.506 176.870 -0.190 0.000 1.020 258 L CA -2.305 52.398 54.840 -0.228 0.000 0.812 258 L CB 1.534 43.411 42.059 -0.303 0.000 1.264 258 L HN -0.229 nan 8.230 nan 0.000 0.439 259 P HA 0.167 nan 4.420 nan 0.000 0.277 259 P C -0.059 177.165 177.300 -0.126 0.000 1.271 259 P CA -0.448 62.595 63.100 -0.095 0.000 0.795 259 P CB 1.056 32.752 31.700 -0.006 0.000 1.101 260 S N -0.374 115.277 115.700 -0.082 0.000 2.428 260 S HA -0.059 4.411 4.470 -0.000 0.000 0.230 260 S C 0.837 175.410 174.600 -0.045 0.000 1.014 260 S CA 1.158 59.314 58.200 -0.073 0.000 0.957 260 S CB -0.692 62.478 63.200 -0.050 0.000 0.784 260 S HN 0.756 nan 8.310 nan 0.000 0.499 261 N N -0.327 118.382 118.700 0.015 0.000 3.116 261 N HA 0.173 4.913 4.740 -0.000 0.000 0.244 261 N C -0.519 175.121 175.510 0.216 0.000 1.485 261 N CA -0.662 52.461 53.050 0.121 0.000 0.884 261 N CB 0.047 38.579 38.487 0.076 0.000 1.415 261 N HN -0.088 nan 8.380 nan 0.000 0.524 262 N N -0.466 118.397 118.700 0.272 0.000 2.609 262 N HA -0.031 4.709 4.740 -0.000 0.000 0.190 262 N C 0.260 175.819 175.510 0.082 0.000 1.157 262 N CA 0.584 53.744 53.050 0.182 0.000 0.918 262 N CB -0.152 38.353 38.487 0.031 0.000 0.978 262 N HN 0.523 nan 8.380 nan 0.000 0.448 263 L N -0.870 120.392 121.223 0.065 0.000 2.509 263 L HA 0.270 4.610 4.340 -0.000 0.000 0.222 263 L C 0.761 177.645 176.870 0.024 0.000 1.123 263 L CA 0.280 55.138 54.840 0.031 0.000 0.856 263 L CB -0.372 41.697 42.059 0.017 0.000 0.985 263 L HN 0.171 nan 8.230 nan 0.000 0.456 264 S N -1.409 114.312 115.700 0.034 0.000 2.648 264 S HA 0.474 4.944 4.470 -0.000 0.000 0.305 264 S C -0.325 174.290 174.600 0.025 0.000 1.094 264 S CA -0.751 57.458 58.200 0.015 0.000 0.983 264 S CB 1.038 64.236 63.200 -0.004 0.000 1.101 264 S HN 0.178 nan 8.310 nan 0.000 0.514 265 E N 2.370 122.573 120.200 0.006 0.000 2.318 265 E HA 0.332 4.682 4.350 -0.000 0.000 0.265 265 E C -2.278 174.316 176.600 -0.010 0.000 1.069 265 E CA -1.997 54.409 56.400 0.010 0.000 0.893 265 E CB 0.225 29.925 29.700 0.000 0.000 1.076 265 E HN 0.457 nan 8.360 nan 0.000 0.414 266 P HA 0.015 nan 4.420 nan 0.000 0.267 266 P C -2.422 174.821 177.300 -0.095 0.000 1.200 266 P CA -0.970 62.108 63.100 -0.037 0.000 0.772 266 P CB -0.413 31.288 31.700 0.002 0.000 0.855 267 P HA 0.156 nan 4.420 nan 0.000 0.267 267 P C -0.820 176.288 177.300 -0.320 0.000 1.205 267 P CA 0.320 63.262 63.100 -0.263 0.000 0.765 267 P CB 0.459 31.985 31.700 -0.289 0.000 0.828 268 A N 3.004 125.575 122.820 -0.416 0.000 2.515 268 A HA 0.729 5.049 4.320 -0.000 0.000 0.296 268 A C -1.373 175.874 177.584 -0.562 0.000 1.094 268 A CA -0.536 51.288 52.037 -0.355 0.000 0.718 268 A CB 1.102 20.019 19.000 -0.138 0.000 1.307 268 A HN 0.333 nan 8.150 nan 0.000 0.408 269 F N 1.914 121.853 119.950 -0.017 0.000 2.531 269 F HA 0.312 4.839 4.527 -0.000 0.000 0.333 269 F C -2.084 173.715 175.800 -0.002 0.000 1.292 269 F CA -2.329 55.662 58.000 -0.017 0.000 1.184 269 F CB 1.127 40.110 39.000 -0.028 0.000 1.426 269 F HN 0.283 nan 8.300 nan 0.000 0.559 270 P HA -0.045 nan 4.420 nan 0.000 0.261 270 P C -0.610 176.743 177.300 0.088 0.000 1.165 270 P CA 0.561 63.709 63.100 0.080 0.000 0.759 270 P CB 0.654 32.382 31.700 0.046 0.000 0.772 271 E N 1.328 121.573 120.200 0.076 0.000 2.307 271 E HA 0.272 4.622 4.350 -0.000 0.000 0.280 271 E C -0.910 175.721 176.600 0.053 0.000 0.900 271 E CA -0.978 55.459 56.400 0.062 0.000 0.790 271 E CB 1.379 31.118 29.700 0.065 0.000 1.261 271 E HN 0.391 nan 8.360 nan 0.000 0.405 272 E N 2.472 122.697 120.200 0.042 0.000 2.414 272 E HA 0.294 4.644 4.350 -0.000 0.000 0.263 272 E C -0.768 175.855 176.600 0.038 0.000 1.000 272 E CA -0.083 56.339 56.400 0.037 0.000 0.914 272 E CB 0.780 30.497 29.700 0.029 0.000 0.948 272 E HN 0.588 nan 8.360 nan 0.000 0.444 273 A N 4.317 127.161 122.820 0.040 0.000 2.303 273 A HA 0.162 4.482 4.320 -0.000 0.000 0.317 273 A C -0.340 177.263 177.584 0.032 0.000 1.149 273 A CA -0.660 51.401 52.037 0.041 0.000 0.822 273 A CB 1.019 20.050 19.000 0.051 0.000 1.131 273 A HN 0.742 nan 8.150 nan 0.000 0.493 274 D N 2.162 122.581 120.400 0.031 0.000 2.339 274 D HA 0.208 4.848 4.640 -0.000 0.000 0.241 274 D C 0.430 176.746 176.300 0.026 0.000 1.183 274 D CA -0.021 53.994 54.000 0.024 0.000 0.859 274 D CB 0.692 41.505 40.800 0.022 0.000 1.067 274 D HN 0.466 nan 8.370 nan 0.000 0.484 275 L N 2.731 123.966 121.223 0.020 0.000 2.627 275 L HA 0.151 4.491 4.340 -0.000 0.000 0.233 275 L C 1.224 178.102 176.870 0.014 0.000 1.144 275 L CA -0.231 54.619 54.840 0.018 0.000 0.892 275 L CB -0.217 41.846 42.059 0.007 0.000 1.039 275 L HN 0.339 nan 8.230 nan 0.000 0.442 276 A N 0.648 123.476 122.820 0.014 0.000 2.462 276 A HA 0.317 4.637 4.320 -0.000 0.000 0.243 276 A C 0.367 177.961 177.584 0.016 0.000 1.076 276 A CA -0.370 51.674 52.037 0.011 0.000 0.773 276 A CB 0.270 19.276 19.000 0.010 0.000 1.010 276 A HN 0.104 nan 8.150 nan 0.000 0.493 277 V N 2.219 122.140 119.914 0.012 0.000 2.446 277 V HA 0.446 4.566 4.120 -0.000 0.000 0.276 277 V C 0.678 176.783 176.094 0.018 0.000 1.030 277 V CA 0.068 62.377 62.300 0.015 0.000 1.033 277 V CB -0.785 31.041 31.823 0.004 0.000 0.993 277 V HN 1.066 nan 8.190 nan 0.000 0.477 278 T N 0.945 115.516 114.554 0.029 0.000 2.810 278 T HA 0.288 4.638 4.350 -0.000 0.000 0.277 278 T C 0.730 175.449 174.700 0.032 0.000 0.973 278 T CA -0.077 62.041 62.100 0.031 0.000 0.949 278 T CB 1.192 70.084 68.868 0.039 0.000 1.075 278 T HN 0.603 nan 8.240 nan 0.000 0.537 279 D N 0.191 120.610 120.400 0.032 0.000 2.144 279 D HA -0.066 4.573 4.640 -0.000 0.000 0.200 279 D C 1.968 178.302 176.300 0.058 0.000 0.978 279 D CA 1.203 55.222 54.000 0.033 0.000 0.833 279 D CB -0.099 40.718 40.800 0.029 0.000 0.961 279 D HN 0.636 nan 8.370 nan 0.000 0.470 280 E N 0.999 121.250 120.200 0.085 0.000 2.038 280 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 280 E C 1.690 178.421 176.600 0.218 0.000 1.000 280 E CA 0.990 57.493 56.400 0.173 0.000 0.803 280 E CB -0.135 29.638 29.700 0.122 0.000 0.750 280 E HN 0.210 nan 8.360 nan 0.000 0.448 281 D N 0.078 120.563 120.400 0.142 0.000 2.133 281 D HA -0.222 4.418 4.640 -0.000 0.000 0.192 281 D C 1.815 178.111 176.300 -0.007 0.000 1.001 281 D CA 1.655 55.708 54.000 0.088 0.000 0.844 281 D CB -0.434 40.399 40.800 0.055 0.000 0.944 281 D HN 0.242 nan 8.370 nan 0.000 0.447 282 A N 1.014 123.828 122.820 -0.011 0.000 1.972 282 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 282 A C 2.019 179.551 177.584 -0.086 0.000 1.169 282 A CA 1.461 53.466 52.037 -0.054 0.000 0.635 282 A CB -0.565 18.417 19.000 -0.030 0.000 0.810 282 A HN 0.260 nan 8.150 nan 0.000 0.446 283 E N -0.614 119.551 120.200 -0.058 0.000 2.219 283 E HA -0.202 4.148 4.350 -0.000 0.000 0.198 283 E C 1.535 178.017 176.600 -0.197 0.000 0.998 283 E CA 0.942 57.290 56.400 -0.087 0.000 0.818 283 E CB -0.238 29.457 29.700 -0.008 0.000 0.741 283 E HN 0.431 nan 8.360 nan 0.000 0.477 284 L N 1.318 122.372 121.223 -0.282 0.000 2.201 284 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 284 L C 1.569 178.181 176.870 -0.430 0.000 1.105 284 L CA 1.551 56.172 54.840 -0.366 0.000 0.775 284 L CB -0.453 41.382 42.059 -0.374 0.000 0.913 284 L HN 0.040 nan 8.230 nan 0.000 0.440 285 D N -1.117 119.083 120.400 -0.333 0.000 2.263 285 D HA -0.095 4.545 4.640 -0.000 0.000 0.208 285 D C 1.631 177.800 176.300 -0.219 0.000 0.971 285 D CA 1.592 55.409 54.000 -0.306 0.000 0.867 285 D CB 0.162 40.838 40.800 -0.206 0.000 0.929 285 D HN 0.456 nan 8.370 nan 0.000 0.492 286 T N -2.517 111.933 114.554 -0.173 0.000 3.145 286 T HA 0.139 4.489 4.350 -0.000 0.000 0.281 286 T C 1.540 176.181 174.700 -0.099 0.000 1.003 286 T CA -0.388 61.644 62.100 -0.113 0.000 0.901 286 T CB 0.022 68.847 68.868 -0.072 0.000 1.112 286 T HN -0.105 nan 8.240 nan 0.000 0.535 287 I N 2.109 122.597 120.570 -0.136 0.000 2.394 287 I HA 0.139 4.309 4.170 -0.000 0.000 0.251 287 I C 0.417 176.439 176.117 -0.159 0.000 1.136 287 I CA 0.595 61.830 61.300 -0.109 0.000 1.425 287 I CB 0.093 38.029 38.000 -0.108 0.000 1.079 287 I HN 0.123 nan 8.210 nan 0.000 0.425 288 V N 4.720 124.513 119.914 -0.202 0.000 2.455 288 V HA 0.230 4.350 4.120 -0.000 0.000 0.273 288 V C -1.855 174.204 176.094 -0.058 0.000 1.045 288 V CA -1.394 60.771 62.300 -0.226 0.000 0.976 288 V CB -0.012 31.719 31.823 -0.153 0.000 0.993 288 V HN 0.232 nan 8.190 nan 0.000 0.475 289 P HA 0.176 nan 4.420 nan 0.000 0.272 289 P C 0.144 177.470 177.300 0.043 0.000 1.223 289 P CA -0.305 62.822 63.100 0.045 0.000 0.784 289 P CB 1.132 32.883 31.700 0.085 0.000 0.923 290 D N -0.433 119.988 120.400 0.035 0.000 2.123 290 D HA -0.097 4.543 4.640 -0.000 0.000 0.196 290 D C 0.946 177.276 176.300 0.049 0.000 0.992 290 D CA 1.407 55.428 54.000 0.035 0.000 0.833 290 D CB -0.280 40.536 40.800 0.027 0.000 0.954 290 D HN 0.305 nan 8.370 nan 0.000 0.455 291 S N -0.705 115.027 115.700 0.053 0.000 2.523 291 S HA 0.415 4.885 4.470 -0.000 0.000 0.275 291 S C 1.064 175.711 174.600 0.079 0.000 1.281 291 S CA -0.165 58.070 58.200 0.059 0.000 1.050 291 S CB 1.504 64.734 63.200 0.050 0.000 0.937 291 S HN 0.144 nan 8.310 nan 0.000 0.492 292 A N 5.013 127.882 122.820 0.082 0.000 2.015 292 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 292 A C 1.852 179.493 177.584 0.094 0.000 1.163 292 A CA 1.125 53.224 52.037 0.103 0.000 0.646 292 A CB -0.460 18.604 19.000 0.107 0.000 0.806 292 A HN 0.894 nan 8.150 nan 0.000 0.448 293 N N 0.195 118.936 118.700 0.069 0.000 2.457 293 N HA -0.036 4.704 4.740 -0.000 0.000 0.180 293 N C -0.060 175.481 175.510 0.052 0.000 1.050 293 N CA 0.501 53.581 53.050 0.051 0.000 0.906 293 N CB -0.059 38.449 38.487 0.035 0.000 0.968 293 N HN 0.428 nan 8.380 nan 0.000 0.445 294 Q N 1.446 121.288 119.800 0.069 0.000 2.267 294 Q HA 0.385 4.725 4.340 -0.000 0.000 0.255 294 Q C -2.122 173.943 176.000 0.108 0.000 0.923 294 Q CA -1.728 54.119 55.803 0.073 0.000 0.925 294 Q CB 0.914 29.695 28.738 0.073 0.000 1.195 294 Q HN 0.164 nan 8.270 nan 0.000 0.417 295 P HA 0.335 nan 4.420 nan 0.000 0.278 295 P C -1.250 176.118 177.300 0.113 0.000 1.266 295 P CA -0.378 62.737 63.100 0.025 0.000 0.807 295 P CB 0.525 32.186 31.700 -0.064 0.000 1.094 296 Y N -2.719 117.596 120.300 0.025 0.000 2.615 296 Y HA 0.654 5.204 4.550 -0.000 0.000 0.341 296 Y C -1.042 174.877 175.900 0.032 0.000 1.089 296 Y CA -1.641 56.479 58.100 0.033 0.000 1.049 296 Y CB 0.483 38.971 38.460 0.046 0.000 1.296 296 Y HN 0.106 nan 8.280 nan 0.000 0.470 297 D N 1.990 122.462 120.400 0.121 0.000 2.347 297 D HA 0.134 4.774 4.640 -0.000 0.000 0.235 297 D C 0.701 177.069 176.300 0.113 0.000 1.149 297 D CA -0.336 53.703 54.000 0.065 0.000 0.850 297 D CB 1.453 42.328 40.800 0.124 0.000 1.061 297 D HN 0.746 nan 8.370 nan 0.000 0.487 298 M N 4.115 123.680 119.600 -0.057 0.000 2.346 298 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 298 M C 1.386 177.614 176.300 -0.119 0.000 1.064 298 M CA 1.550 56.803 55.300 -0.078 0.000 1.083 298 M CB -0.302 32.173 32.600 -0.209 0.000 1.399 298 M HN 0.502 nan 8.290 nan 0.000 0.435 299 H N -1.097 117.941 119.070 -0.053 0.000 2.353 299 H HA -0.115 4.441 4.556 -0.000 0.000 0.298 299 H C 2.113 177.432 175.328 -0.016 0.000 1.103 299 H CA 2.001 58.025 56.048 -0.040 0.000 1.293 299 H CB -0.391 29.405 29.762 0.057 0.000 1.372 299 H HN 0.427 nan 8.280 nan 0.000 0.501 300 S N 0.162 115.982 115.700 0.200 0.000 2.359 300 S HA -0.118 4.352 4.470 -0.000 0.000 0.224 300 S C 2.593 177.377 174.600 0.306 0.000 1.035 300 S CA 1.202 59.562 58.200 0.267 0.000 1.018 300 S CB -0.441 62.917 63.200 0.263 0.000 0.876 300 S HN 0.134 nan 8.310 nan 0.000 0.448 301 V N 2.185 122.158 119.914 0.098 0.000 2.332 301 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 301 V C 2.072 178.041 176.094 -0.209 0.000 1.055 301 V CA 1.640 63.934 62.300 -0.012 0.000 1.038 301 V CB -0.757 31.008 31.823 -0.098 0.000 0.651 301 V HN 0.446 nan 8.190 nan 0.000 0.450 302 I N -0.216 120.091 120.570 -0.438 0.000 2.179 302 I HA -0.234 3.936 4.170 -0.000 0.000 0.242 302 I C 2.579 178.563 176.117 -0.222 0.000 1.088 302 I CA 1.698 62.640 61.300 -0.597 0.000 1.357 302 I CB -0.447 37.054 38.000 -0.831 0.000 1.051 302 I HN 0.350 nan 8.210 nan 0.000 0.409 303 E N -0.152 120.002 120.200 -0.077 0.000 2.204 303 E HA -0.247 4.103 4.350 -0.000 0.000 0.195 303 E C 1.921 178.515 176.600 -0.010 0.000 0.990 303 E CA 1.107 57.512 56.400 0.008 0.000 0.821 303 E CB -0.143 29.578 29.700 0.036 0.000 0.750 303 E HN 0.581 nan 8.360 nan 0.000 0.477 304 H N -1.058 118.021 119.070 0.015 0.000 2.524 304 H HA -0.061 4.495 4.556 -0.000 0.000 0.282 304 H C 1.951 177.327 175.328 0.079 0.000 1.016 304 H CA 1.233 57.313 56.048 0.052 0.000 1.270 304 H CB 0.327 30.127 29.762 0.064 0.000 1.394 304 H HN 0.130 nan 8.280 nan 0.000 0.568 305 V N -2.479 117.541 119.914 0.176 0.000 3.621 305 V HA 0.216 4.336 4.120 -0.000 0.000 0.263 305 V C 0.643 176.830 176.094 0.155 0.000 1.272 305 V CA -0.024 62.389 62.300 0.190 0.000 1.080 305 V CB -0.065 31.921 31.823 0.271 0.000 0.816 305 V HN 0.036 nan 8.190 nan 0.000 0.451 306 L N 1.763 123.061 121.223 0.125 0.000 2.375 306 L HA 0.463 4.803 4.340 -0.000 0.000 0.271 306 L C -0.129 176.814 176.870 0.122 0.000 1.107 306 L CA -0.627 54.296 54.840 0.139 0.000 0.806 306 L CB 0.459 42.611 42.059 0.154 0.000 1.146 306 L HN 0.115 nan 8.230 nan 0.000 0.447 307 D N 2.170 122.651 120.400 0.134 0.000 2.533 307 D HA -0.059 4.581 4.640 -0.000 0.000 0.236 307 D C 0.312 176.672 176.300 0.101 0.000 1.137 307 D CA 0.630 54.696 54.000 0.111 0.000 0.867 307 D CB 0.261 41.133 40.800 0.120 0.000 1.170 307 D HN 0.485 nan 8.370 nan 0.000 0.474 308 D N 1.555 121.997 120.400 0.070 0.000 2.792 308 D HA -0.270 4.370 4.640 -0.000 0.000 0.231 308 D C 0.400 176.736 176.300 0.059 0.000 1.160 308 D CA 1.054 55.087 54.000 0.055 0.000 0.697 308 D CB -1.378 39.458 40.800 0.060 0.000 1.070 308 D HN 0.715 nan 8.370 nan 0.000 0.426 309 A N -0.303 122.548 122.820 0.051 0.000 2.624 309 A HA -0.279 4.041 4.320 -0.000 0.000 0.302 309 A C 0.413 178.064 177.584 0.111 0.000 1.504 309 A CA 1.862 53.925 52.037 0.044 0.000 0.804 309 A CB -1.252 17.728 19.000 -0.035 0.000 1.020 309 A HN 0.397 nan 8.150 nan 0.000 0.444 310 E N -0.686 119.610 120.200 0.161 0.000 2.081 310 E HA 0.624 4.974 4.350 -0.000 0.000 0.276 310 E C -0.750 176.055 176.600 0.342 0.000 0.950 310 E CA -0.485 56.047 56.400 0.221 0.000 0.776 310 E CB 0.360 30.180 29.700 0.200 0.000 1.094 310 E HN 0.535 nan 8.360 nan 0.000 0.402 311 F N 6.156 126.198 119.950 0.152 0.000 2.427 311 F HA 0.406 4.933 4.527 -0.000 0.000 0.348 311 F C -1.687 174.227 175.800 0.191 0.000 1.125 311 F CA -1.744 56.347 58.000 0.151 0.000 0.989 311 F CB 0.500 39.566 39.000 0.110 0.000 1.165 311 F HN 0.384 nan 8.300 nan 0.000 0.442 312 F N 6.667 126.493 119.950 -0.207 0.000 2.377 312 F HA 0.318 4.845 4.527 -0.000 0.000 0.360 312 F C 0.257 175.643 175.800 -0.690 0.000 1.147 312 F CA -0.397 57.407 58.000 -0.327 0.000 1.170 312 F CB 0.031 38.954 39.000 -0.128 0.000 1.339 312 F HN 0.603 nan 8.300 nan 0.000 0.552 313 E N 3.458 122.970 120.200 -1.147 0.000 2.343 313 E HA 0.329 4.679 4.350 -0.000 0.000 0.269 313 E C -0.545 175.692 176.600 -0.606 0.000 1.047 313 E CA -0.422 55.367 56.400 -1.018 0.000 0.874 313 E CB 0.912 30.166 29.700 -0.743 0.000 1.033 313 E HN 0.605 nan 8.360 nan 0.000 0.409 314 T N 1.024 115.349 114.554 -0.382 0.000 2.885 314 T HA 0.236 4.586 4.350 -0.000 0.000 0.285 314 T C -0.243 174.453 174.700 -0.007 0.000 1.019 314 T CA -0.797 61.242 62.100 -0.102 0.000 1.010 314 T CB 1.428 70.304 68.868 0.013 0.000 1.022 314 T HN 0.661 nan 8.240 nan 0.000 0.466 315 Q N 0.040 119.910 119.800 0.118 0.000 2.435 315 Q HA -0.138 4.202 4.340 -0.000 0.000 0.312 315 Q C -1.863 174.193 176.000 0.094 0.000 1.333 315 Q CA 0.291 56.167 55.803 0.121 0.000 0.883 315 Q CB -1.617 27.222 28.738 0.169 0.000 1.170 315 Q HN 0.629 nan 8.270 nan 0.000 0.443 316 P HA -0.173 nan 4.420 nan 0.000 0.218 316 P C 1.011 178.355 177.300 0.073 0.000 1.148 316 P CA 1.094 64.224 63.100 0.050 0.000 0.822 316 P CB 0.139 31.853 31.700 0.023 0.000 0.784 317 L N -3.617 117.654 121.223 0.080 0.000 2.558 317 L HA 0.135 4.475 4.340 -0.000 0.000 0.225 317 L C 0.779 177.756 176.870 0.178 0.000 1.128 317 L CA -0.073 54.823 54.840 0.093 0.000 0.868 317 L CB -0.299 41.791 42.059 0.051 0.000 1.006 317 L HN -0.045 nan 8.230 nan 0.000 0.454 318 F N 0.845 120.800 119.950 0.008 0.000 2.469 318 F HA 0.613 5.140 4.527 -0.000 0.000 0.332 318 F C 0.677 176.493 175.800 0.027 0.000 1.103 318 F CA -1.161 56.845 58.000 0.011 0.000 0.979 318 F CB 1.251 40.246 39.000 -0.009 0.000 1.137 318 F HN -0.031 nan 8.300 nan 0.000 0.463 319 A N 5.628 128.080 122.820 -0.613 0.000 2.203 319 A HA -0.190 4.130 4.320 -0.000 0.000 0.279 319 A C -2.120 175.398 177.584 -0.111 0.000 1.396 319 A CA 0.440 52.214 52.037 -0.437 0.000 0.747 319 A CB -1.875 16.808 19.000 -0.528 0.000 1.151 319 A HN 0.654 nan 8.150 nan 0.000 0.345 320 P HA -0.181 nan 4.420 nan 0.000 0.221 320 P C 1.361 178.701 177.300 0.067 0.000 1.145 320 P CA 1.393 64.532 63.100 0.066 0.000 0.795 320 P CB -0.120 31.638 31.700 0.097 0.000 0.775 321 N N -0.629 118.137 118.700 0.110 0.000 2.573 321 N HA -0.085 4.654 4.740 -0.000 0.000 0.187 321 N C 0.469 175.983 175.510 0.006 0.000 1.107 321 N CA 0.667 53.772 53.050 0.092 0.000 0.918 321 N CB -0.210 38.370 38.487 0.154 0.000 0.966 321 N HN 0.254 nan 8.380 nan 0.000 0.448 322 I N 0.010 120.573 120.570 -0.011 0.000 2.769 322 I HA 0.357 4.527 4.170 -0.000 0.000 0.298 322 I C -1.447 174.657 176.117 -0.022 0.000 1.128 322 I CA -0.995 60.292 61.300 -0.021 0.000 1.031 322 I CB 2.170 40.164 38.000 -0.010 0.000 1.235 322 I HN -0.176 nan 8.210 nan 0.000 0.423 323 L N 5.589 126.789 121.223 -0.038 0.000 2.322 323 L HA 0.664 5.004 4.340 -0.000 0.000 0.281 323 L C -0.531 176.321 176.870 -0.029 0.000 1.014 323 L CA -0.539 54.285 54.840 -0.027 0.000 0.815 323 L CB 1.906 43.903 42.059 -0.103 0.000 1.247 323 L HN 0.573 nan 8.230 nan 0.000 0.421 324 T N -0.779 113.718 114.554 -0.095 0.000 2.900 324 T HA 0.942 5.292 4.350 -0.000 0.000 0.295 324 T C -0.177 174.239 174.700 -0.473 0.000 1.044 324 T CA -0.529 61.304 62.100 -0.445 0.000 0.995 324 T CB 2.524 70.905 68.868 -0.812 0.000 1.072 324 T HN 0.972 nan 8.240 nan 0.000 0.473 325 G N 0.665 109.061 108.800 -0.673 0.000 2.317 325 G HA2 0.486 4.446 3.960 -0.000 0.000 0.293 325 G HA3 0.486 4.446 3.960 -0.000 0.000 0.293 325 G C -2.225 172.562 174.900 -0.189 0.000 1.287 325 G CA -0.948 43.900 45.100 -0.421 0.000 0.850 325 G HN 0.634 nan 8.290 nan 0.000 0.515 326 F N -0.364 119.662 119.950 0.126 0.000 2.598 326 F HA 0.919 5.446 4.527 -0.000 0.000 0.327 326 F C 0.906 176.663 175.800 -0.072 0.000 1.057 326 F CA 0.334 58.265 58.000 -0.114 0.000 0.957 326 F CB 2.409 40.856 39.000 -0.921 0.000 1.278 326 F HN 0.997 nan 8.300 nan 0.000 0.484 327 G N 0.370 109.294 108.800 0.207 0.000 2.554 327 G HA2 0.685 4.645 3.960 -0.000 0.000 0.306 327 G HA3 0.685 4.645 3.960 -0.000 0.000 0.306 327 G C -1.903 173.229 174.900 0.388 0.000 1.320 327 G CA -1.060 44.242 45.100 0.337 0.000 0.800 327 G HN 0.490 nan 8.290 nan 0.000 0.481 328 R N -1.184 119.512 120.500 0.325 0.000 2.725 328 R HA 0.645 4.985 4.340 -0.000 0.000 0.277 328 R C -1.625 174.794 176.300 0.198 0.000 0.987 328 R CA -0.761 55.498 56.100 0.264 0.000 0.901 328 R CB 2.820 33.266 30.300 0.243 0.000 1.207 328 R HN 0.330 nan 8.270 nan 0.000 0.463 329 V N 2.343 122.357 119.914 0.168 0.000 2.407 329 V HA 0.189 4.309 4.120 -0.000 0.000 0.291 329 V C 0.232 176.395 176.094 0.114 0.000 1.018 329 V CA -0.526 61.857 62.300 0.139 0.000 0.842 329 V CB 1.225 33.130 31.823 0.137 0.000 0.996 329 V HN 0.907 nan 8.190 nan 0.000 0.426 330 E N 3.572 123.834 120.200 0.102 0.000 2.586 330 E HA -0.292 4.058 4.350 -0.000 0.000 0.259 330 E C 1.267 177.923 176.600 0.094 0.000 1.107 330 E CA 0.679 57.131 56.400 0.087 0.000 0.754 330 E CB -1.154 28.589 29.700 0.072 0.000 1.335 330 E HN 1.526 nan 8.360 nan 0.000 0.411 331 G N 0.000 108.869 108.800 0.114 0.000 2.176 331 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.253 331 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.253 331 G C 0.213 175.176 174.900 0.105 0.000 0.979 331 G CA 0.530 45.709 45.100 0.131 0.000 0.641 331 G HN 0.268 nan 8.290 nan 0.000 0.530 332 R N 0.911 121.470 120.500 0.099 0.000 2.346 332 R HA 0.470 4.810 4.340 -0.000 0.000 0.311 332 R C -2.703 173.682 176.300 0.141 0.000 0.983 332 R CA -1.960 54.190 56.100 0.084 0.000 0.880 332 R CB 1.256 31.598 30.300 0.069 0.000 1.100 332 R HN 0.080 nan 8.270 nan 0.000 0.453 333 P HA -0.019 nan 4.420 nan 0.000 0.268 333 P C -0.826 176.624 177.300 0.250 0.000 1.205 333 P CA -0.163 63.092 63.100 0.258 0.000 0.771 333 P CB 0.811 32.641 31.700 0.215 0.000 0.858 334 V N 0.093 120.200 119.914 0.322 0.000 3.049 334 V HA 0.932 5.052 4.120 -0.000 0.000 0.309 334 V C -0.200 176.137 176.094 0.406 0.000 1.148 334 V CA -0.968 61.513 62.300 0.301 0.000 0.990 334 V CB 1.888 33.852 31.823 0.236 0.000 1.039 334 V HN 0.604 nan 8.190 nan 0.000 0.430 335 G N 1.514 110.520 108.800 0.342 0.000 2.410 335 G HA2 0.760 4.720 3.960 -0.000 0.000 0.330 335 G HA3 0.760 4.720 3.960 -0.000 0.000 0.330 335 G C -1.358 173.735 174.900 0.320 0.000 1.142 335 G CA -0.748 44.554 45.100 0.338 0.000 0.902 335 G HN 0.745 nan 8.290 nan 0.000 0.491 336 I N 0.129 120.906 120.570 0.345 0.000 2.545 336 I HA 0.468 4.638 4.170 -0.000 0.000 0.292 336 I C -0.499 175.741 176.117 0.205 0.000 1.040 336 I CA -0.788 60.660 61.300 0.246 0.000 1.068 336 I CB 2.602 40.656 38.000 0.089 0.000 1.251 336 I HN 0.198 nan 8.210 nan 0.000 0.424 337 V N 4.579 124.620 119.914 0.212 0.000 2.569 337 V HA 0.913 5.033 4.120 -0.000 0.000 0.301 337 V C -0.657 175.535 176.094 0.162 0.000 1.044 337 V CA -0.508 61.894 62.300 0.171 0.000 0.874 337 V CB 1.609 33.582 31.823 0.250 0.000 1.002 337 V HN 0.858 nan 8.190 nan 0.000 0.424 338 A N 3.959 126.825 122.820 0.076 0.000 2.488 338 A HA 0.705 5.025 4.320 -0.000 0.000 0.295 338 A C -0.683 176.892 177.584 -0.016 0.000 1.045 338 A CA -0.780 51.291 52.037 0.056 0.000 0.703 338 A CB 1.120 20.117 19.000 -0.005 0.000 1.271 338 A HN 0.835 nan 8.150 nan 0.000 0.400 339 N N 1.048 119.739 118.700 -0.015 0.000 2.492 339 N HA 0.362 5.102 4.740 -0.000 0.000 0.260 339 N C -0.194 175.260 175.510 -0.092 0.000 1.215 339 N CA 0.130 53.152 53.050 -0.046 0.000 0.923 339 N CB 0.573 39.034 38.487 -0.044 0.000 1.092 339 N HN 0.636 nan 8.380 nan 0.000 0.448 340 Q N 3.059 122.802 119.800 -0.096 0.000 2.425 340 Q HA 0.345 4.685 4.340 -0.000 0.000 0.254 340 Q C -2.338 173.571 176.000 -0.152 0.000 1.032 340 Q CA -2.085 53.636 55.803 -0.137 0.000 0.798 340 Q CB 1.540 30.228 28.738 -0.084 0.000 1.210 340 Q HN 0.322 nan 8.270 nan 0.000 0.491 341 P HA -0.167 nan 4.420 nan 0.000 0.218 341 P C 0.889 178.079 177.300 -0.184 0.000 1.148 341 P CA 1.383 64.336 63.100 -0.245 0.000 0.822 341 P CB 0.149 31.565 31.700 -0.474 0.000 0.784 342 M N -1.751 117.734 119.600 -0.192 0.000 2.358 342 M HA -0.086 4.394 4.480 -0.000 0.000 0.264 342 M C 0.400 176.603 176.300 -0.162 0.000 1.064 342 M CA 1.386 56.600 55.300 -0.143 0.000 1.093 342 M CB -0.526 32.012 32.600 -0.103 0.000 1.401 342 M HN 0.040 nan 8.290 nan 0.000 0.440 343 Q N 0.202 119.911 119.800 -0.151 0.000 2.348 343 Q HA 0.259 4.599 4.340 -0.000 0.000 0.265 343 Q C -0.671 175.259 176.000 -0.116 0.000 0.998 343 Q CA -0.483 55.176 55.803 -0.240 0.000 0.831 343 Q CB 1.068 29.740 28.738 -0.111 0.000 1.251 343 Q HN 0.289 nan 8.270 nan 0.000 0.456 344 F N 0.850 120.771 119.950 -0.048 0.000 2.943 344 F HA -0.322 4.205 4.527 -0.000 0.000 0.258 344 F C 1.109 176.881 175.800 -0.047 0.000 0.995 344 F CA 0.707 58.680 58.000 -0.044 0.000 0.896 344 F CB -2.301 36.669 39.000 -0.050 0.000 0.821 344 F HN 0.801 nan 8.300 nan 0.000 0.828 345 A N -0.827 122.010 122.820 0.029 0.000 2.750 345 A HA 0.089 4.409 4.320 -0.000 0.000 0.298 345 A C 2.288 179.878 177.584 0.010 0.000 1.500 345 A CA 1.705 53.748 52.037 0.011 0.000 0.891 345 A CB -1.666 17.354 19.000 0.032 0.000 0.972 345 A HN 2.669 nan 8.150 nan 0.000 0.531 346 G N -3.315 105.488 108.800 0.006 0.000 2.166 346 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 346 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 346 G C 0.733 175.622 174.900 -0.018 0.000 0.986 346 G CA 0.762 45.852 45.100 -0.016 0.000 0.683 346 G HN 1.641 nan 8.290 nan 0.000 0.527 347 C N 0.025 119.329 119.300 0.006 0.000 2.727 347 C HA 0.478 4.938 4.460 -0.000 0.000 0.401 347 C C 1.364 176.290 174.990 -0.106 0.000 1.294 347 C CA -0.236 58.752 59.018 -0.049 0.000 2.134 347 C CB 0.005 27.742 27.740 -0.005 0.000 2.724 347 C HN 0.481 nan 8.230 nan 0.000 0.677 348 L N 3.694 124.771 121.223 -0.243 0.000 2.325 348 L HA 0.484 4.824 4.340 -0.000 0.000 0.279 348 L C 0.100 176.925 176.870 -0.075 0.000 1.054 348 L CA 0.128 54.815 54.840 -0.255 0.000 0.804 348 L CB 1.029 42.724 42.059 -0.605 0.000 1.200 348 L HN 0.802 nan 8.230 nan 0.000 0.436 349 D N 2.033 122.437 120.400 0.006 0.000 2.744 349 D HA 0.243 4.883 4.640 -0.000 0.000 0.304 349 D C 0.929 177.269 176.300 0.067 0.000 1.179 349 D CA -0.637 53.397 54.000 0.056 0.000 1.024 349 D CB 1.002 41.755 40.800 -0.078 0.000 1.453 349 D HN 0.304 nan 8.370 nan 0.000 0.529 350 I N 0.226 120.820 120.570 0.041 0.000 2.127 350 I HA -0.299 3.871 4.170 -0.000 0.000 0.241 350 I C 2.583 178.719 176.117 0.032 0.000 1.075 350 I CA 2.548 63.877 61.300 0.047 0.000 1.334 350 I CB -0.557 37.463 38.000 0.033 0.000 1.040 350 I HN 0.642 nan 8.210 nan 0.000 0.405 351 T N -0.593 113.935 114.554 -0.044 0.000 2.746 351 T HA -0.144 4.206 4.350 -0.000 0.000 0.267 351 T C 1.973 176.608 174.700 -0.109 0.000 1.039 351 T CA 1.107 63.143 62.100 -0.108 0.000 1.142 351 T CB -0.583 67.998 68.868 -0.478 0.000 0.866 351 T HN 0.368 nan 8.240 nan 0.000 0.444 352 A N 1.604 124.354 122.820 -0.118 0.000 1.898 352 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 352 A C 2.731 180.336 177.584 0.034 0.000 1.181 352 A CA 1.888 53.889 52.037 -0.059 0.000 0.620 352 A CB -1.087 17.875 19.000 -0.063 0.000 0.819 352 A HN 0.541 nan 8.150 nan 0.000 0.442 353 S N -0.235 115.504 115.700 0.065 0.000 2.368 353 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 353 S C 1.859 176.526 174.600 0.111 0.000 1.030 353 S CA 1.621 59.888 58.200 0.111 0.000 0.999 353 S CB -0.298 62.993 63.200 0.151 0.000 0.844 353 S HN 0.709 nan 8.310 nan 0.000 0.459 354 E N 0.882 121.151 120.200 0.116 0.000 2.107 354 E HA -0.120 4.230 4.350 -0.000 0.000 0.191 354 E C 2.140 178.837 176.600 0.161 0.000 0.982 354 E CA 0.740 57.217 56.400 0.128 0.000 0.809 354 E CB -0.071 29.713 29.700 0.139 0.000 0.756 354 E HN 0.419 nan 8.360 nan 0.000 0.459 355 K N 1.066 121.587 120.400 0.202 0.000 2.026 355 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 355 K C 2.136 178.855 176.600 0.200 0.000 1.048 355 K CA 1.374 57.801 56.287 0.234 0.000 0.929 355 K CB -0.124 32.522 32.500 0.243 0.000 0.713 355 K HN 0.069 nan 8.250 nan 0.000 0.439 356 A N 0.992 123.902 122.820 0.151 0.000 1.930 356 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 356 A C 2.336 180.000 177.584 0.132 0.000 1.175 356 A CA 1.614 53.744 52.037 0.155 0.000 0.627 356 A CB -0.736 18.335 19.000 0.118 0.000 0.815 356 A HN 0.514 nan 8.150 nan 0.000 0.443 357 A N -0.423 122.453 122.820 0.093 0.000 1.865 357 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 357 A C 2.287 179.900 177.584 0.049 0.000 1.191 357 A CA 1.723 53.786 52.037 0.043 0.000 0.623 357 A CB -0.527 18.510 19.000 0.061 0.000 0.826 357 A HN 0.347 nan 8.150 nan 0.000 0.444 358 R N -1.494 119.065 120.500 0.098 0.000 2.081 358 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 358 R C 1.909 178.270 176.300 0.101 0.000 1.131 358 R CA 1.637 57.790 56.100 0.088 0.000 0.960 358 R CB -0.978 29.397 30.300 0.125 0.000 0.856 358 R HN 0.570 nan 8.270 nan 0.000 0.436 359 F N 0.737 120.712 119.950 0.043 0.000 2.102 359 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 359 F C 2.252 178.063 175.800 0.018 0.000 1.105 359 F CA 1.234 59.268 58.000 0.057 0.000 1.239 359 F CB -0.444 38.598 39.000 0.069 0.000 0.991 359 F HN -0.244 nan 8.300 nan 0.000 0.474 360 V N 1.157 121.034 119.914 -0.061 0.000 2.343 360 V HA -0.293 3.827 4.120 -0.000 0.000 0.247 360 V C 2.578 178.561 176.094 -0.184 0.000 1.051 360 V CA 2.095 64.272 62.300 -0.205 0.000 1.036 360 V CB -0.626 30.982 31.823 -0.359 0.000 0.654 360 V HN 0.280 nan 8.190 nan 0.000 0.451 361 R N -0.315 120.114 120.500 -0.118 0.000 2.092 361 R HA -0.116 4.224 4.340 -0.000 0.000 0.231 361 R C 2.323 178.555 176.300 -0.113 0.000 1.119 361 R CA 1.819 57.867 56.100 -0.087 0.000 0.970 361 R CB -0.922 29.353 30.300 -0.040 0.000 0.864 361 R HN 0.526 nan 8.270 nan 0.000 0.440 362 T N 0.838 115.319 114.554 -0.121 0.000 2.674 362 T HA -0.167 4.183 4.350 -0.000 0.000 0.265 362 T C 2.175 176.883 174.700 0.013 0.000 1.039 362 T CA 1.452 63.518 62.100 -0.058 0.000 1.150 362 T CB -0.416 68.402 68.868 -0.083 0.000 0.864 362 T HN 0.311 nan 8.240 nan 0.000 0.427 363 C N 1.328 120.553 119.300 -0.125 0.000 2.413 363 C HA -0.110 4.350 4.460 -0.000 0.000 0.276 363 C C 2.683 177.682 174.990 0.015 0.000 1.236 363 C CA 0.834 59.841 59.018 -0.018 0.000 1.735 363 C CB -1.089 26.559 27.740 -0.154 0.000 2.031 363 C HN 0.676 nan 8.230 nan 0.000 0.474 364 D N 0.618 120.983 120.400 -0.058 0.000 2.117 364 D HA -0.094 4.546 4.640 -0.000 0.000 0.197 364 D C 2.145 178.386 176.300 -0.099 0.000 0.987 364 D CA 1.625 55.592 54.000 -0.055 0.000 0.829 364 D CB -0.181 40.579 40.800 -0.066 0.000 0.961 364 D HN 0.386 nan 8.370 nan 0.000 0.460 365 A N -0.681 122.019 122.820 -0.200 0.000 1.978 365 A HA -0.084 4.236 4.320 -0.000 0.000 0.220 365 A C 1.288 178.551 177.584 -0.535 0.000 1.170 365 A CA 0.919 52.706 52.037 -0.417 0.000 0.636 365 A CB -0.669 17.953 19.000 -0.629 0.000 0.810 365 A HN 0.340 nan 8.150 nan 0.000 0.448 366 F N 0.248 120.203 119.950 0.008 0.000 2.750 366 F HA 0.253 4.780 4.527 -0.000 0.000 0.297 366 F C 0.489 176.299 175.800 0.016 0.000 1.138 366 F CA -0.856 57.154 58.000 0.016 0.000 1.346 366 F CB -0.420 38.598 39.000 0.031 0.000 0.965 366 F HN 0.244 nan 8.300 nan 0.000 0.514 367 N N -0.080 118.683 118.700 0.104 0.000 2.721 367 N HA -0.167 4.573 4.740 -0.000 0.000 0.249 367 N C -0.679 174.890 175.510 0.099 0.000 1.072 367 N CA 0.421 53.518 53.050 0.079 0.000 0.710 367 N CB -1.549 36.980 38.487 0.069 0.000 0.993 367 N HN 0.089 nan 8.380 nan 0.000 0.547 368 V N 0.989 120.978 119.914 0.126 0.000 2.370 368 V HA 0.302 4.422 4.120 -0.000 0.000 0.279 368 V C -1.793 174.376 176.094 0.126 0.000 1.029 368 V CA -1.370 61.021 62.300 0.152 0.000 0.870 368 V CB 1.634 33.603 31.823 0.243 0.000 0.984 368 V HN -0.075 nan 8.190 nan 0.000 0.451 369 P HA 0.142 nan 4.420 nan 0.000 0.269 369 P C -0.766 176.611 177.300 0.128 0.000 1.209 369 P CA 0.050 63.213 63.100 0.106 0.000 0.776 369 P CB 0.616 32.376 31.700 0.100 0.000 0.876 370 V N 4.426 124.406 119.914 0.110 0.000 2.448 370 V HA 0.330 4.450 4.120 -0.000 0.000 0.295 370 V C 0.042 176.201 176.094 0.108 0.000 1.025 370 V CA -0.495 61.886 62.300 0.136 0.000 0.859 370 V CB 1.211 33.119 31.823 0.142 0.000 0.988 370 V HN 0.327 nan 8.190 nan 0.000 0.431 371 L N 4.787 126.075 121.223 0.109 0.000 2.296 371 L HA 0.711 5.051 4.340 -0.000 0.000 0.286 371 L C 0.204 177.034 176.870 -0.066 0.000 1.023 371 L CA -0.220 54.607 54.840 -0.022 0.000 0.812 371 L CB 1.900 43.987 42.059 0.048 0.000 1.223 371 L HN 0.764 nan 8.230 nan 0.000 0.421 372 T N 0.490 114.880 114.554 -0.273 0.000 2.861 372 T HA 0.670 5.020 4.350 -0.000 0.000 0.287 372 T C -0.883 173.505 174.700 -0.520 0.000 1.003 372 T CA -0.428 61.557 62.100 -0.192 0.000 0.977 372 T CB 0.994 69.855 68.868 -0.013 0.000 0.996 372 T HN 0.177 nan 8.240 nan 0.000 0.448 373 F N 2.829 122.721 119.950 -0.097 0.000 2.426 373 F HA 0.612 5.139 4.527 -0.000 0.000 0.348 373 F C -0.114 175.595 175.800 -0.151 0.000 1.124 373 F CA -1.017 56.887 58.000 -0.161 0.000 1.008 373 F CB 2.026 40.920 39.000 -0.176 0.000 1.139 373 F HN 0.378 nan 8.300 nan 0.000 0.452 374 V N 2.520 122.397 119.914 -0.061 0.000 2.435 374 V HA 0.476 4.596 4.120 -0.000 0.000 0.290 374 V C -0.814 175.247 176.094 -0.055 0.000 1.030 374 V CA -0.462 61.799 62.300 -0.064 0.000 0.881 374 V CB 1.666 33.435 31.823 -0.091 0.000 0.983 374 V HN 0.709 nan 8.190 nan 0.000 0.445 375 D N 3.547 123.934 120.400 -0.023 0.000 2.826 375 D HA 0.194 4.834 4.640 -0.000 0.000 0.239 375 D C -1.573 174.731 176.300 0.007 0.000 1.329 375 D CA 0.000 54.007 54.000 0.011 0.000 0.854 375 D CB 1.523 42.356 40.800 0.056 0.000 1.494 375 D HN 0.370 nan 8.370 nan 0.000 0.540 376 V N 4.178 124.103 119.914 0.017 0.000 2.525 376 V HA 0.581 4.701 4.120 -0.000 0.000 0.299 376 V C -1.981 174.189 176.094 0.127 0.000 1.034 376 V CA -1.970 60.342 62.300 0.019 0.000 0.863 376 V CB 2.575 34.365 31.823 -0.054 0.000 0.999 376 V HN 0.143 nan 8.190 nan 0.000 0.423 377 P HA 0.315 nan 4.420 nan 0.000 0.240 377 P C 0.576 177.985 177.300 0.181 0.000 1.190 377 P CA 1.321 64.585 63.100 0.273 0.000 0.781 377 P CB 0.648 32.419 31.700 0.118 0.000 0.931 378 G N -0.651 108.182 108.800 0.055 0.000 2.339 378 G HA2 0.159 4.119 3.960 -0.000 0.000 0.275 378 G HA3 0.159 4.119 3.960 -0.000 0.000 0.275 378 G C -1.750 173.060 174.900 -0.150 0.000 1.323 378 G CA -0.917 44.199 45.100 0.027 0.000 0.927 378 G HN -0.058 nan 8.290 nan 0.000 0.486 379 F N 0.608 120.587 119.950 0.048 0.000 2.399 379 F HA 0.593 5.120 4.527 -0.000 0.000 0.334 379 F C 1.142 176.946 175.800 0.006 0.000 1.097 379 F CA -0.669 57.346 58.000 0.025 0.000 1.076 379 F CB 1.622 40.635 39.000 0.021 0.000 1.162 379 F HN 0.352 nan 8.300 nan 0.000 0.495 380 L N 5.169 126.473 121.223 0.136 0.000 2.615 380 L HA 0.124 4.464 4.340 -0.000 0.000 0.271 380 L C -2.102 174.806 176.870 0.063 0.000 1.183 380 L CA -1.439 53.436 54.840 0.058 0.000 0.933 380 L CB 0.400 42.449 42.059 -0.018 0.000 1.199 380 L HN 0.358 nan 8.230 nan 0.000 0.487 381 P HA 0.349 nan 4.420 nan 0.000 0.271 381 P C -0.640 176.657 177.300 -0.004 0.000 1.218 381 P CA -0.202 62.912 63.100 0.024 0.000 0.780 381 P CB 1.035 32.745 31.700 0.016 0.000 0.901 382 G N 0.011 108.799 108.800 -0.021 0.000 2.238 382 G HA2 0.105 4.065 3.960 -0.000 0.000 0.276 382 G HA3 0.105 4.065 3.960 -0.000 0.000 0.276 382 G C 0.267 175.121 174.900 -0.077 0.000 1.744 382 G CA -0.726 44.346 45.100 -0.046 0.000 0.912 382 G HN 0.245 nan 8.290 nan 0.000 0.744 383 V N 1.897 121.737 119.914 -0.123 0.000 2.392 383 V HA -0.160 3.960 4.120 -0.000 0.000 0.249 383 V C 2.837 178.773 176.094 -0.264 0.000 1.059 383 V CA 2.747 64.901 62.300 -0.243 0.000 1.051 383 V CB -0.425 31.214 31.823 -0.305 0.000 0.658 383 V HN 0.926 nan 8.190 nan 0.000 0.455 384 D N -0.527 119.785 120.400 -0.147 0.000 2.123 384 D HA -0.264 4.376 4.640 -0.000 0.000 0.196 384 D C 1.917 178.206 176.300 -0.019 0.000 0.992 384 D CA 1.260 55.219 54.000 -0.068 0.000 0.833 384 D CB -0.374 40.398 40.800 -0.047 0.000 0.954 384 D HN 0.394 nan 8.370 nan 0.000 0.455 385 Q N 0.429 120.212 119.800 -0.028 0.000 2.096 385 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 385 Q C 2.179 178.190 176.000 0.018 0.000 0.982 385 Q CA 1.046 56.847 55.803 -0.003 0.000 0.850 385 Q CB -0.200 28.538 28.738 -0.000 0.000 0.901 385 Q HN 0.482 nan 8.270 nan 0.000 0.422 386 E N 0.068 120.279 120.200 0.020 0.000 2.015 386 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 386 E C 1.996 178.697 176.600 0.169 0.000 0.991 386 E CA 1.029 57.473 56.400 0.073 0.000 0.802 386 E CB -0.331 29.423 29.700 0.091 0.000 0.759 386 E HN 0.448 nan 8.360 nan 0.000 0.447 387 H N 0.848 119.908 119.070 -0.016 0.000 2.457 387 H HA -0.076 4.480 4.556 -0.000 0.000 0.297 387 H C 1.122 176.444 175.328 -0.010 0.000 1.092 387 H CA 1.243 57.283 56.048 -0.012 0.000 1.309 387 H CB -0.183 29.573 29.762 -0.010 0.000 1.382 387 H HN 0.103 nan 8.280 nan 0.000 0.535 388 D N -1.080 119.389 120.400 0.115 0.000 2.340 388 D HA 0.159 4.799 4.640 -0.000 0.000 0.220 388 D C 1.038 177.361 176.300 0.037 0.000 1.039 388 D CA 0.809 54.845 54.000 0.060 0.000 0.866 388 D CB 0.108 40.936 40.800 0.046 0.000 0.913 388 D HN 0.498 nan 8.370 nan 0.000 0.523 389 G N 1.286 110.107 108.800 0.035 0.000 2.203 389 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.231 389 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.231 389 G C 0.946 175.850 174.900 0.007 0.000 1.058 389 G CA 0.205 45.313 45.100 0.014 0.000 0.781 389 G HN 0.314 nan 8.290 nan 0.000 0.496 390 I N 0.202 120.774 120.570 0.004 0.000 2.335 390 I HA -0.076 4.094 4.170 -0.000 0.000 0.251 390 I C 2.443 178.530 176.117 -0.049 0.000 1.129 390 I CA 1.681 62.974 61.300 -0.011 0.000 1.402 390 I CB -0.189 37.796 38.000 -0.025 0.000 1.069 390 I HN 0.518 nan 8.210 nan 0.000 0.424 391 I N 0.898 121.435 120.570 -0.055 0.000 2.163 391 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 391 I C 2.615 178.711 176.117 -0.036 0.000 1.085 391 I CA 1.965 63.225 61.300 -0.067 0.000 1.347 391 I CB -0.513 37.456 38.000 -0.050 0.000 1.044 391 I HN 0.332 nan 8.210 nan 0.000 0.408 392 R N 0.881 121.369 120.500 -0.019 0.000 2.173 392 R HA 0.041 4.381 4.340 -0.000 0.000 0.208 392 R C 2.106 178.404 176.300 -0.002 0.000 1.035 392 R CA 0.430 56.523 56.100 -0.012 0.000 1.004 392 R CB -0.284 30.006 30.300 -0.017 0.000 0.917 392 R HN 0.259 nan 8.270 nan 0.000 0.462 393 R N 0.699 121.204 120.500 0.008 0.000 2.161 393 R HA 0.117 4.457 4.340 -0.000 0.000 0.213 393 R C 2.324 178.658 176.300 0.057 0.000 1.055 393 R CA 0.995 57.111 56.100 0.028 0.000 0.996 393 R CB -0.090 30.231 30.300 0.035 0.000 0.901 393 R HN 0.398 nan 8.270 nan 0.000 0.456 394 G N 0.973 109.808 108.800 0.057 0.000 2.403 394 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.216 394 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.216 394 G C 1.535 176.507 174.900 0.121 0.000 1.154 394 G CA 0.560 45.731 45.100 0.118 0.000 0.784 394 G HN 0.343 nan 8.290 nan 0.000 0.538 395 A N 0.965 123.827 122.820 0.071 0.000 2.076 395 A HA -0.022 4.298 4.320 -0.000 0.000 0.220 395 A C 2.218 179.883 177.584 0.135 0.000 1.160 395 A CA 1.796 53.891 52.037 0.096 0.000 0.653 395 A CB -0.325 18.715 19.000 0.067 0.000 0.801 395 A HN 0.411 nan 8.150 nan 0.000 0.455 396 K N -0.582 119.874 120.400 0.093 0.000 2.152 396 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 396 K C 1.755 178.440 176.600 0.142 0.000 1.048 396 K CA 1.146 57.481 56.287 0.080 0.000 0.933 396 K CB -0.277 32.241 32.500 0.030 0.000 0.721 396 K HN 0.504 nan 8.250 nan 0.000 0.447 397 L N 0.920 122.237 121.223 0.156 0.000 2.131 397 L HA -0.110 4.230 4.340 -0.000 0.000 0.206 397 L C 2.337 179.351 176.870 0.241 0.000 1.087 397 L CA 0.691 55.632 54.840 0.169 0.000 0.767 397 L CB -0.207 41.973 42.059 0.203 0.000 0.917 397 L HN 0.191 nan 8.230 nan 0.000 0.441 398 I N -2.943 117.771 120.570 0.239 0.000 2.252 398 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 398 I C 2.357 178.597 176.117 0.205 0.000 1.102 398 I CA 1.551 62.983 61.300 0.220 0.000 1.385 398 I CB -0.907 37.182 38.000 0.150 0.000 1.064 398 I HN 0.042 nan 8.210 nan 0.000 0.414 399 F N 1.776 121.766 119.950 0.067 0.000 2.095 399 F HA -0.179 4.348 4.527 -0.000 0.000 0.298 399 F C 2.507 178.320 175.800 0.022 0.000 1.104 399 F CA 2.042 60.065 58.000 0.038 0.000 1.232 399 F CB -0.358 38.656 39.000 0.023 0.000 0.987 399 F HN 0.182 nan 8.300 nan 0.000 0.475 400 A N -0.665 122.331 122.820 0.294 0.000 1.902 400 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 400 A C 1.956 179.526 177.584 -0.024 0.000 1.181 400 A CA 1.790 53.890 52.037 0.105 0.000 0.623 400 A CB -1.451 17.531 19.000 -0.030 0.000 0.818 400 A HN 0.531 nan 8.150 nan 0.000 0.443 401 Y N -0.296 120.023 120.300 0.032 0.000 2.263 401 Y HA 0.010 4.560 4.550 -0.000 0.000 0.292 401 Y C 2.890 178.751 175.900 -0.065 0.000 1.130 401 Y CA 0.645 58.734 58.100 -0.018 0.000 1.179 401 Y CB -0.574 37.870 38.460 -0.027 0.000 0.998 401 Y HN 0.321 nan 8.280 nan 0.000 0.532 402 A N -0.237 122.620 122.820 0.060 0.000 1.969 402 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 402 A C 2.175 179.682 177.584 -0.128 0.000 1.169 402 A CA 1.741 53.740 52.037 -0.062 0.000 0.635 402 A CB -0.570 18.350 19.000 -0.133 0.000 0.810 402 A HN 0.544 nan 8.150 nan 0.000 0.445 403 E N 0.225 120.320 120.200 -0.175 0.000 2.158 403 E HA 0.156 4.506 4.350 -0.000 0.000 0.191 403 E C 1.019 177.576 176.600 -0.072 0.000 0.982 403 E CA 0.432 56.730 56.400 -0.170 0.000 0.823 403 E CB -0.225 29.365 29.700 -0.184 0.000 0.766 403 E HN 0.503 nan 8.360 nan 0.000 0.468 404 A N 0.812 123.611 122.820 -0.035 0.000 2.565 404 A HA 0.039 4.359 4.320 -0.000 0.000 0.237 404 A C 0.891 178.468 177.584 -0.012 0.000 1.053 404 A CA 0.840 52.866 52.037 -0.018 0.000 0.755 404 A CB 0.193 19.196 19.000 0.004 0.000 0.980 404 A HN 0.410 nan 8.150 nan 0.000 0.506 405 T N -0.516 114.030 114.554 -0.014 0.000 3.043 405 T HA 0.329 4.679 4.350 -0.000 0.000 0.272 405 T C 0.575 175.276 174.700 0.001 0.000 0.990 405 T CA 0.447 62.541 62.100 -0.010 0.000 0.897 405 T CB -1.194 67.663 68.868 -0.018 0.000 1.111 405 T HN 1.182 nan 8.240 nan 0.000 0.529 406 V N -0.657 119.262 119.914 0.009 0.000 3.319 406 V HA 0.497 4.617 4.120 -0.000 0.000 0.303 406 V C -2.795 173.317 176.094 0.029 0.000 1.094 406 V CA -2.453 59.860 62.300 0.022 0.000 1.106 406 V CB -0.259 31.583 31.823 0.033 0.000 1.099 406 V HN -0.062 nan 8.190 nan 0.000 0.476 407 P HA 0.355 nan 4.420 nan 0.000 0.268 407 P C -0.898 176.425 177.300 0.039 0.000 1.205 407 P CA 0.301 63.420 63.100 0.032 0.000 0.771 407 P CB 0.230 31.953 31.700 0.038 0.000 0.858 408 L N 4.426 125.663 121.223 0.023 0.000 2.404 408 L HA 0.525 4.865 4.340 -0.000 0.000 0.272 408 L C -0.305 176.547 176.870 -0.030 0.000 0.980 408 L CA -0.366 54.486 54.840 0.019 0.000 0.836 408 L CB 1.358 43.434 42.059 0.029 0.000 1.238 408 L HN 0.233 nan 8.230 nan 0.000 0.408 409 I N 2.293 122.831 120.570 -0.052 0.000 2.418 409 I HA 0.421 4.590 4.170 -0.000 0.000 0.287 409 I C -0.429 175.565 176.117 -0.205 0.000 1.008 409 I CA -0.246 60.991 61.300 -0.104 0.000 1.104 409 I CB 2.343 40.300 38.000 -0.071 0.000 1.264 409 I HN 0.497 nan 8.210 nan 0.000 0.438 410 T N 5.521 119.936 114.554 -0.233 0.000 2.807 410 T HA 0.539 4.889 4.350 -0.000 0.000 0.279 410 T C -0.415 174.091 174.700 -0.323 0.000 0.993 410 T CA -0.509 61.404 62.100 -0.312 0.000 0.970 410 T CB 2.163 70.860 68.868 -0.286 0.000 0.950 410 T HN 0.186 nan 8.240 nan 0.000 0.441 411 V N 4.539 124.190 119.914 -0.439 0.000 2.407 411 V HA 0.442 4.562 4.120 -0.000 0.000 0.291 411 V C -0.215 175.662 176.094 -0.361 0.000 1.018 411 V CA -0.812 61.257 62.300 -0.384 0.000 0.842 411 V CB 1.303 32.874 31.823 -0.419 0.000 0.996 411 V HN 0.825 nan 8.190 nan 0.000 0.426 412 I N 4.735 125.123 120.570 -0.304 0.000 2.301 412 I HA 0.180 4.350 4.170 -0.000 0.000 0.292 412 I C 1.661 177.534 176.117 -0.405 0.000 1.046 412 I CA -0.035 61.106 61.300 -0.264 0.000 1.282 412 I CB 1.614 39.517 38.000 -0.161 0.000 1.409 412 I HN 0.814 nan 8.210 nan 0.000 0.484 413 T N 2.476 116.740 114.554 -0.484 0.000 3.014 413 T HA 0.051 4.401 4.350 -0.000 0.000 0.263 413 T C 1.527 176.137 174.700 -0.150 0.000 1.078 413 T CA 0.675 62.388 62.100 -0.645 0.000 1.135 413 T CB 0.373 68.808 68.868 -0.722 0.000 0.895 413 T HN 0.643 nan 8.240 nan 0.000 0.480 414 R N -0.159 120.294 120.500 -0.079 0.000 5.225 414 R HA 0.375 4.715 4.340 -0.000 0.000 0.088 414 R C -0.709 175.571 176.300 -0.033 0.000 0.705 414 R CA -0.276 55.828 56.100 0.007 0.000 1.064 414 R CB 0.671 31.048 30.300 0.128 0.000 1.417 414 R HN 0.032 nan 8.270 nan 0.000 0.390 415 K N 0.357 120.754 120.400 -0.006 0.000 2.164 415 K HA 0.653 4.973 4.320 -0.000 0.000 0.258 415 K C -1.524 174.975 176.600 -0.170 0.000 0.951 415 K CA -0.300 55.945 56.287 -0.071 0.000 0.844 415 K CB 2.113 34.764 32.500 0.252 0.000 1.099 415 K HN 0.343 nan 8.250 nan 0.000 0.435 416 A N 3.863 126.399 122.820 -0.472 0.000 3.005 416 A HA 0.412 4.732 4.320 -0.000 0.000 0.308 416 A C -1.476 175.860 177.584 -0.413 0.000 1.173 416 A CA -0.656 51.228 52.037 -0.255 0.000 0.796 416 A CB -0.041 18.882 19.000 -0.128 0.000 1.325 416 A HN 0.542 nan 8.150 nan 0.000 0.467 417 F N 1.068 121.067 119.950 0.081 0.000 2.450 417 F HA 0.665 5.192 4.527 -0.000 0.000 0.332 417 F C 1.377 177.264 175.800 0.145 0.000 1.093 417 F CA 0.613 58.666 58.000 0.088 0.000 1.003 417 F CB 1.663 40.703 39.000 0.066 0.000 1.151 417 F HN 0.965 nan 8.300 nan 0.000 0.474 418 G N 1.787 110.791 108.800 0.339 0.000 2.602 418 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.306 418 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.306 418 G C 1.305 176.385 174.900 0.299 0.000 1.301 418 G CA 0.217 45.488 45.100 0.284 0.000 0.974 418 G HN 1.252 nan 8.290 nan 0.000 0.547 419 G N -0.279 108.695 108.800 0.290 0.000 2.469 419 G HA2 0.110 4.070 3.960 -0.000 0.000 0.220 419 G HA3 0.110 4.070 3.960 -0.000 0.000 0.220 419 G C 2.198 177.300 174.900 0.337 0.000 1.136 419 G CA 3.175 48.454 45.100 0.299 0.000 0.759 419 G HN 1.916 nan 8.290 nan 0.000 0.562 420 A N 0.217 123.251 122.820 0.357 0.000 1.908 420 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 420 A C 2.200 179.828 177.584 0.073 0.000 1.181 420 A CA 1.906 53.992 52.037 0.080 0.000 0.627 420 A CB -0.728 18.198 19.000 -0.123 0.000 0.818 420 A HN 0.621 nan 8.150 nan 0.000 0.445 421 Y N 1.213 121.530 120.300 0.030 0.000 2.165 421 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 421 Y C 1.865 177.757 175.900 -0.013 0.000 1.155 421 Y CA 1.923 60.011 58.100 -0.022 0.000 1.164 421 Y CB -0.356 38.094 38.460 -0.016 0.000 0.978 421 Y HN 0.361 nan 8.280 nan 0.000 0.513 422 D N -0.196 120.053 120.400 -0.252 0.000 2.097 422 D HA -0.172 4.468 4.640 -0.000 0.000 0.195 422 D C 2.407 178.573 176.300 -0.223 0.000 0.989 422 D CA 1.889 55.706 54.000 -0.306 0.000 0.827 422 D CB -0.275 40.495 40.800 -0.051 0.000 0.966 422 D HN 0.366 nan 8.370 nan 0.000 0.456 423 V N 1.475 121.353 119.914 -0.059 0.000 2.343 423 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 423 V C 1.576 177.617 176.094 -0.090 0.000 1.051 423 V CA 0.968 63.281 62.300 0.021 0.000 1.036 423 V CB -0.303 31.615 31.823 0.158 0.000 0.654 423 V HN 0.241 nan 8.190 nan 0.000 0.451 424 M N 1.124 120.614 119.600 -0.183 0.000 3.593 424 M HA 0.216 4.696 4.480 -0.000 0.000 0.204 424 M C 1.285 177.225 176.300 -0.599 0.000 1.569 424 M CA 0.446 55.581 55.300 -0.274 0.000 1.694 424 M CB -1.370 31.134 32.600 -0.160 0.000 1.149 424 M HN 0.477 nan 8.290 nan 0.000 0.552 425 G N 2.349 110.436 108.800 -1.189 0.000 2.412 425 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.297 425 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.297 425 G C 0.477 174.988 174.900 -0.649 0.000 0.965 425 G CA 0.595 44.929 45.100 -1.277 0.000 1.134 425 G HN 0.758 nan 8.290 nan 0.000 0.511 426 S N -1.127 114.222 115.700 -0.585 0.000 2.600 426 S HA 0.398 4.868 4.470 -0.000 0.000 0.265 426 S C 1.488 175.784 174.600 -0.506 0.000 1.325 426 S CA 0.259 58.094 58.200 -0.607 0.000 1.002 426 S CB 1.692 64.384 63.200 -0.846 0.000 0.921 426 S HN 0.548 nan 8.310 nan 0.000 0.554 427 K N 0.060 120.117 120.400 -0.572 0.000 2.209 427 K HA -0.157 4.163 4.320 -0.000 0.000 0.204 427 K C 1.597 177.953 176.600 -0.405 0.000 1.048 427 K CA 1.341 57.367 56.287 -0.436 0.000 0.940 427 K CB -0.334 31.940 32.500 -0.378 0.000 0.729 427 K HN 0.747 nan 8.250 nan 0.000 0.451 428 H N -0.070 118.854 119.070 -0.243 0.000 2.456 428 H HA -0.097 4.459 4.556 -0.000 0.000 0.296 428 H C 1.692 176.922 175.328 -0.163 0.000 1.079 428 H CA 0.888 56.807 56.048 -0.215 0.000 1.322 428 H CB 0.071 29.673 29.762 -0.267 0.000 1.388 428 H HN 0.148 nan 8.280 nan 0.000 0.538 429 L N -0.555 120.601 121.223 -0.113 0.000 2.418 429 L HA 0.154 4.494 4.340 -0.000 0.000 0.218 429 L C 1.743 178.568 176.870 -0.074 0.000 1.125 429 L CA 1.300 56.089 54.840 -0.084 0.000 0.835 429 L CB -0.003 41.997 42.059 -0.099 0.000 0.953 429 L HN 0.546 nan 8.230 nan 0.000 0.454 430 G N -2.163 106.576 108.800 -0.101 0.000 2.227 430 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.168 430 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.168 430 G C 0.498 175.352 174.900 -0.077 0.000 1.006 430 G CA -0.206 44.851 45.100 -0.072 0.000 0.684 430 G HN 0.520 nan 8.290 nan 0.000 0.489 431 A N 0.532 123.275 122.820 -0.127 0.000 2.531 431 A HA 0.468 4.788 4.320 -0.000 0.000 0.236 431 A C 1.250 178.778 177.584 -0.093 0.000 1.062 431 A CA 1.104 53.067 52.037 -0.123 0.000 0.760 431 A CB 0.282 19.159 19.000 -0.205 0.000 0.995 431 A HN 0.241 nan 8.150 nan 0.000 0.501 432 D N 0.262 120.625 120.400 -0.062 0.000 2.183 432 D HA 0.078 4.718 4.640 -0.000 0.000 0.205 432 D C -0.309 175.967 176.300 -0.041 0.000 0.962 432 D CA 1.120 55.096 54.000 -0.040 0.000 0.849 432 D CB 0.072 40.861 40.800 -0.018 0.000 0.978 432 D HN 0.261 nan 8.370 nan 0.000 0.488 433 L N 1.169 122.359 121.223 -0.054 0.000 2.439 433 L HA 0.299 4.639 4.340 -0.000 0.000 0.270 433 L C -1.255 175.561 176.870 -0.090 0.000 0.972 433 L CA -0.564 54.246 54.840 -0.050 0.000 0.836 433 L CB 1.850 43.898 42.059 -0.019 0.000 1.255 433 L HN -0.257 nan 8.230 nan 0.000 0.404 434 N N 4.463 123.107 118.700 -0.093 0.000 2.479 434 N HA 0.661 5.401 4.740 -0.000 0.000 0.261 434 N C -1.253 174.192 175.510 -0.108 0.000 0.979 434 N CA -0.572 52.408 53.050 -0.117 0.000 0.930 434 N CB 1.662 40.080 38.487 -0.114 0.000 1.172 434 N HN 0.224 nan 8.380 nan 0.000 0.499 435 L N 1.257 122.399 121.223 -0.135 0.000 2.334 435 L HA 0.899 5.239 4.340 -0.000 0.000 0.272 435 L C 0.148 176.951 176.870 -0.112 0.000 1.020 435 L CA -1.032 53.727 54.840 -0.135 0.000 0.812 435 L CB 1.075 43.041 42.059 -0.157 0.000 1.264 435 L HN 0.522 nan 8.230 nan 0.000 0.439 436 A N 1.195 123.977 122.820 -0.062 0.000 2.449 436 A HA 0.699 5.019 4.320 -0.000 0.000 0.302 436 A C -1.509 176.153 177.584 0.130 0.000 1.048 436 A CA -0.542 51.467 52.037 -0.047 0.000 0.708 436 A CB 1.058 19.991 19.000 -0.112 0.000 1.274 436 A HN 0.542 nan 8.150 nan 0.000 0.410 437 W N 1.610 122.844 121.300 -0.110 0.000 2.183 437 W HA 0.460 5.120 4.660 0.000 0.000 0.348 437 W C -1.973 174.476 176.519 -0.116 0.000 1.257 437 W CA -1.815 55.475 57.345 -0.091 0.000 1.324 437 W CB -0.074 29.343 29.460 -0.070 0.000 1.144 437 W HN 0.497 nan 8.180 nan 0.000 0.622 438 P HA -0.149 nan 4.420 nan 0.000 0.219 438 P C 1.374 178.707 177.300 0.055 0.000 1.146 438 P CA 2.402 65.535 63.100 0.055 0.000 0.808 438 P CB -0.006 31.738 31.700 0.074 0.000 0.779 439 T N -3.804 110.816 114.554 0.111 0.000 3.118 439 T HA 0.258 4.608 4.350 -0.000 0.000 0.260 439 T C 0.943 175.676 174.700 0.055 0.000 1.139 439 T CA -0.027 62.131 62.100 0.096 0.000 1.085 439 T CB -0.723 68.226 68.868 0.135 0.000 0.934 439 T HN 0.025 nan 8.240 nan 0.000 0.518 440 A N 1.569 124.396 122.820 0.011 0.000 2.462 440 A HA 0.430 4.750 4.320 -0.000 0.000 0.243 440 A C 0.151 177.665 177.584 -0.117 0.000 1.076 440 A CA -0.445 51.547 52.037 -0.075 0.000 0.773 440 A CB 0.160 19.087 19.000 -0.123 0.000 1.010 440 A HN 0.597 nan 8.150 nan 0.000 0.493 441 Q N 1.640 121.334 119.800 -0.177 0.000 2.394 441 Q HA 0.456 4.796 4.340 -0.000 0.000 0.261 441 Q C -1.415 174.289 176.000 -0.492 0.000 1.023 441 Q CA 0.042 55.710 55.803 -0.226 0.000 0.720 441 Q CB 1.573 30.261 28.738 -0.084 0.000 1.241 441 Q HN 0.695 nan 8.270 nan 0.000 0.483 442 I N 1.853 122.189 120.570 -0.390 0.000 2.328 442 I HA 0.767 4.937 4.170 -0.000 0.000 0.287 442 I C -0.233 175.681 176.117 -0.339 0.000 1.012 442 I CA -0.570 60.441 61.300 -0.482 0.000 1.195 442 I CB 1.204 38.926 38.000 -0.462 0.000 1.350 442 I HN 0.551 nan 8.210 nan 0.000 0.464 443 A N 4.761 127.401 122.820 -0.301 0.000 2.609 443 A HA 0.571 4.891 4.320 -0.000 0.000 0.291 443 A C 0.437 178.126 177.584 0.174 0.000 1.096 443 A CA -0.506 51.551 52.037 0.033 0.000 0.684 443 A CB 1.199 20.370 19.000 0.285 0.000 1.282 443 A HN 0.326 nan 8.150 nan 0.000 0.412 444 V N 0.396 120.435 119.914 0.208 0.000 2.332 444 V HA -0.071 4.049 4.120 -0.000 0.000 0.248 444 V C 1.022 177.273 176.094 0.261 0.000 1.055 444 V CA 2.730 65.151 62.300 0.203 0.000 1.038 444 V CB -1.060 30.857 31.823 0.157 0.000 0.651 444 V HN 0.897 nan 8.190 nan 0.000 0.450 445 M N -2.667 117.110 119.600 0.294 0.000 3.008 445 M HA 0.641 5.121 4.480 -0.000 0.000 0.271 445 M C -0.048 176.257 176.300 0.008 0.000 1.265 445 M CA -0.455 54.943 55.300 0.164 0.000 0.817 445 M CB 1.356 33.975 32.600 0.031 0.000 1.638 445 M HN -0.004 nan 8.290 nan 0.000 0.479 446 G N 0.153 108.736 108.800 -0.362 0.000 2.559 446 G HA2 0.409 4.369 3.960 -0.000 0.000 0.235 446 G HA3 0.409 4.369 3.960 -0.000 0.000 0.235 446 G C 0.810 175.577 174.900 -0.221 0.000 1.266 446 G CA 0.031 44.858 45.100 -0.455 0.000 0.847 446 G HN 1.036 nan 8.290 nan 0.000 0.583 447 A N 0.897 123.644 122.820 -0.121 0.000 1.892 447 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 447 A C 2.250 179.676 177.584 -0.264 0.000 1.188 447 A CA 2.230 54.154 52.037 -0.188 0.000 0.631 447 A CB -0.734 18.321 19.000 0.091 0.000 0.822 447 A HN 0.767 nan 8.150 nan 0.000 0.447 448 Q N -0.937 118.773 119.800 -0.150 0.000 2.030 448 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 448 Q C 2.146 178.062 176.000 -0.140 0.000 0.986 448 Q CA 1.858 57.591 55.803 -0.116 0.000 0.843 448 Q CB -0.580 28.109 28.738 -0.081 0.000 0.904 448 Q HN 0.606 nan 8.270 nan 0.000 0.420 449 G N 0.043 108.751 108.800 -0.153 0.000 2.442 449 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.219 449 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.219 449 G C 1.415 176.215 174.900 -0.167 0.000 1.141 449 G CA 0.950 45.971 45.100 -0.132 0.000 0.763 449 G HN 0.508 nan 8.290 nan 0.000 0.554 450 A N 0.515 123.169 122.820 -0.277 0.000 1.898 450 A HA 0.093 4.412 4.320 -0.000 0.000 0.216 450 A C 2.690 180.061 177.584 -0.355 0.000 1.181 450 A CA 2.307 54.119 52.037 -0.376 0.000 0.620 450 A CB -0.729 17.823 19.000 -0.747 0.000 0.819 450 A HN 0.851 nan 8.150 nan 0.000 0.442 451 V N -1.551 118.170 119.914 -0.323 0.000 2.515 451 V HA -0.192 3.928 4.120 -0.000 0.000 0.250 451 V C 1.782 177.854 176.094 -0.036 0.000 1.058 451 V CA 2.096 64.344 62.300 -0.086 0.000 1.064 451 V CB -1.181 30.683 31.823 0.068 0.000 0.675 451 V HN 0.430 nan 8.190 nan 0.000 0.461 452 N N 0.913 119.576 118.700 -0.062 0.000 2.289 452 N HA -0.010 4.730 4.740 -0.000 0.000 0.184 452 N C 1.729 177.213 175.510 -0.043 0.000 1.016 452 N CA 2.074 55.104 53.050 -0.034 0.000 0.872 452 N CB -0.257 38.206 38.487 -0.041 0.000 0.973 452 N HN 0.588 nan 8.380 nan 0.000 0.433 453 I N 0.091 120.613 120.570 -0.080 0.000 2.429 453 I HA -0.078 4.092 4.170 -0.000 0.000 0.247 453 I C 1.973 178.029 176.117 -0.102 0.000 1.099 453 I CA 0.409 61.665 61.300 -0.074 0.000 1.422 453 I CB -0.136 37.821 38.000 -0.072 0.000 1.112 453 I HN -0.037 nan 8.210 nan 0.000 0.430 454 L N 0.339 121.447 121.223 -0.191 0.000 2.056 454 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 454 L C 1.529 178.173 176.870 -0.377 0.000 1.078 454 L CA 1.182 55.826 54.840 -0.327 0.000 0.749 454 L CB -0.489 41.261 42.059 -0.516 0.000 0.901 454 L HN 0.394 nan 8.230 nan 0.000 0.433 455 H N -1.161 117.912 119.070 0.005 0.000 2.472 455 H HA 0.162 4.718 4.556 -0.000 0.000 0.287 455 H C 1.457 176.785 175.328 0.001 0.000 1.112 455 H CA -0.136 55.917 56.048 0.009 0.000 1.021 455 H CB 0.161 29.931 29.762 0.015 0.000 1.635 455 H HN 0.251 nan 8.280 nan 0.000 0.559 456 R N 1.053 121.587 120.500 0.057 0.000 2.105 456 R HA -0.148 4.192 4.340 -0.000 0.000 0.239 456 R C 1.357 177.682 176.300 0.041 0.000 1.135 456 R CA 1.401 57.523 56.100 0.037 0.000 0.967 456 R CB 0.331 30.636 30.300 0.009 0.000 0.861 456 R HN 0.048 nan 8.270 nan 0.000 0.442 457 R N -0.372 120.156 120.500 0.047 0.000 2.057 457 R HA -0.003 4.337 4.340 -0.000 0.000 0.224 457 R C 2.442 178.770 176.300 0.046 0.000 1.136 457 R CA 1.994 58.118 56.100 0.039 0.000 0.968 457 R CB -0.987 29.333 30.300 0.035 0.000 0.863 457 R HN 0.456 nan 8.270 nan 0.000 0.433 458 T N -0.715 113.880 114.554 0.068 0.000 2.897 458 T HA -0.148 4.202 4.350 -0.000 0.000 0.271 458 T C 1.750 176.470 174.700 0.032 0.000 1.084 458 T CA 1.253 63.383 62.100 0.051 0.000 1.123 458 T CB -0.216 68.689 68.868 0.061 0.000 0.865 458 T HN 0.093 nan 8.240 nan 0.000 0.496 459 I N 1.644 122.241 120.570 0.046 0.000 2.480 459 I HA 0.362 4.532 4.170 -0.000 0.000 0.251 459 I C 2.674 178.803 176.117 0.019 0.000 1.124 459 I CA 0.523 61.840 61.300 0.028 0.000 1.444 459 I CB -0.785 37.239 38.000 0.041 0.000 1.098 459 I HN 0.264 nan 8.210 nan 0.000 0.428 460 A N -0.344 122.490 122.820 0.022 0.000 1.978 460 A HA -0.152 4.168 4.320 -0.000 0.000 0.220 460 A C 0.961 178.551 177.584 0.011 0.000 1.170 460 A CA 1.109 53.155 52.037 0.015 0.000 0.636 460 A CB -0.986 18.023 19.000 0.015 0.000 0.810 460 A HN 0.437 nan 8.150 nan 0.000 0.448 461 D N -0.217 120.191 120.400 0.013 0.000 2.455 461 D HA 0.407 5.047 4.640 -0.000 0.000 0.241 461 D C 0.511 176.814 176.300 0.006 0.000 1.138 461 D CA 1.440 55.445 54.000 0.009 0.000 0.877 461 D CB 0.369 41.175 40.800 0.011 0.000 1.187 461 D HN 0.846 nan 8.370 nan 0.000 0.451 462 A N 2.203 125.026 122.820 0.004 0.000 1.848 462 A HA -0.055 4.265 4.320 -0.000 0.000 0.241 462 A C 1.614 179.199 177.584 0.002 0.000 1.341 462 A CA 0.635 52.673 52.037 0.002 0.000 0.706 462 A CB -1.535 17.466 19.000 0.001 0.000 1.189 462 A HN 0.743 nan 8.150 nan 0.000 0.259 463 G N 1.201 110.002 108.800 0.002 0.000 2.462 463 G HA2 0.001 3.961 3.960 -0.000 0.000 0.220 463 G HA3 0.001 3.961 3.960 -0.000 0.000 0.220 463 G C 0.570 175.470 174.900 0.001 0.000 1.121 463 G CA 1.056 46.157 45.100 0.002 0.000 0.758 463 G HN 1.077 nan 8.290 nan 0.000 0.559 464 D N 0.661 121.061 120.400 0.000 0.000 2.472 464 D HA 0.068 4.708 4.640 -0.000 0.000 0.237 464 D C 0.413 176.713 176.300 -0.001 0.000 1.141 464 D CA 0.043 54.043 54.000 -0.000 0.000 0.875 464 D CB 0.106 40.906 40.800 -0.000 0.000 1.192 464 D HN 0.222 nan 8.370 nan 0.000 0.450 465 D N 1.468 121.867 120.400 -0.002 0.000 2.737 465 D HA -0.249 4.390 4.640 -0.000 0.000 0.233 465 D C 0.924 177.222 176.300 -0.003 0.000 1.155 465 D CA 0.765 54.763 54.000 -0.003 0.000 0.667 465 D CB -0.688 40.109 40.800 -0.004 0.000 1.060 465 D HN 0.433 nan 8.370 nan 0.000 0.427 466 A N 0.115 122.934 122.820 -0.002 0.000 1.824 466 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 466 A C 2.025 179.608 177.584 -0.002 0.000 1.209 466 A CA 1.746 53.783 52.037 -0.001 0.000 0.614 466 A CB -0.411 nan 19.000 nan 0.000 0.852 466 A HN 0.313 nan 8.150 nan 0.000 0.447 467 E N -0.407 119.792 120.200 -0.001 0.000 2.171 467 E HA -0.123 4.227 4.350 -0.000 0.000 0.197 467 E C 2.052 178.651 176.600 -0.003 0.000 0.997 467 E CA 1.392 57.791 56.400 -0.002 0.000 0.810 467 E CB -0.304 29.395 29.700 -0.001 0.000 0.738 467 E HN 0.578 nan 8.360 nan 0.000 0.467 468 A N -0.093 122.725 122.820 -0.003 0.000 2.014 468 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 468 A C 2.338 179.917 177.584 -0.008 0.000 1.163 468 A CA 1.816 53.851 52.037 -0.004 0.000 0.652 468 A CB -0.869 18.128 19.000 -0.004 0.000 0.808 468 A HN 0.430 nan 8.150 nan 0.000 0.449 469 T N -1.989 112.558 114.554 -0.012 0.000 2.857 469 T HA -0.128 4.222 4.350 -0.000 0.000 0.266 469 T C 1.954 176.637 174.700 -0.028 0.000 1.048 469 T CA 1.326 63.412 62.100 -0.024 0.000 1.139 469 T CB -0.238 68.614 68.868 -0.026 0.000 0.874 469 T HN 0.402 nan 8.240 nan 0.000 0.455 470 R N 2.333 122.825 120.500 -0.014 0.000 2.070 470 R HA 0.195 4.535 4.340 -0.000 0.000 0.232 470 R C 2.641 178.942 176.300 0.001 0.000 1.138 470 R CA 1.843 57.940 56.100 -0.005 0.000 0.936 470 R CB -1.265 29.036 30.300 0.002 0.000 0.839 470 R HN 0.415 nan 8.270 nan 0.000 0.429 471 A N 0.597 123.418 122.820 0.002 0.000 2.019 471 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 471 A C 2.245 179.837 177.584 0.012 0.000 1.164 471 A CA 1.555 53.596 52.037 0.008 0.000 0.644 471 A CB -0.630 18.373 19.000 0.006 0.000 0.805 471 A HN 0.452 nan 8.150 nan 0.000 0.449 472 R N -0.951 119.550 120.500 0.001 0.000 2.062 472 R HA -0.073 4.267 4.340 -0.000 0.000 0.231 472 R C 1.786 178.090 176.300 0.005 0.000 1.136 472 R CA 1.362 57.462 56.100 -0.000 0.000 0.948 472 R CB -0.364 29.927 30.300 -0.016 0.000 0.845 472 R HN 0.364 nan 8.270 nan 0.000 0.430 473 L N 1.238 122.450 121.223 -0.018 0.000 2.079 473 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 473 L C 2.240 179.170 176.870 0.099 0.000 1.081 473 L CA 1.535 56.365 54.840 -0.016 0.000 0.752 473 L CB -0.605 41.378 42.059 -0.127 0.000 0.896 473 L HN 0.290 nan 8.230 nan 0.000 0.433 474 I N -1.048 119.569 120.570 0.077 0.000 2.179 474 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 474 I C 2.568 178.761 176.117 0.126 0.000 1.088 474 I CA 1.308 62.663 61.300 0.093 0.000 1.357 474 I CB -0.426 37.598 38.000 0.040 0.000 1.051 474 I HN 0.419 nan 8.210 nan 0.000 0.409 475 Q N 1.443 121.293 119.800 0.084 0.000 2.170 475 Q HA -0.227 4.113 4.340 -0.000 0.000 0.203 475 Q C 1.801 177.856 176.000 0.091 0.000 0.976 475 Q CA 1.703 57.553 55.803 0.079 0.000 0.858 475 Q CB 0.001 28.768 28.738 0.048 0.000 0.907 475 Q HN 0.592 nan 8.270 nan 0.000 0.433 476 E N -0.770 119.486 120.200 0.093 0.000 2.072 476 E HA -0.168 4.182 4.350 -0.000 0.000 0.190 476 E C 1.861 178.531 176.600 0.116 0.000 0.982 476 E CA 0.896 57.345 56.400 0.081 0.000 0.803 476 E CB -0.288 29.446 29.700 0.057 0.000 0.755 476 E HN 0.354 nan 8.360 nan 0.000 0.453 477 Y N 2.843 123.182 120.300 0.066 0.000 2.128 477 Y HA -0.248 4.302 4.550 -0.000 0.000 0.284 477 Y C 2.269 178.216 175.900 0.078 0.000 1.154 477 Y CA 2.208 60.360 58.100 0.086 0.000 1.149 477 Y CB -0.029 38.495 38.460 0.107 0.000 0.976 477 Y HN 0.060 nan 8.280 nan 0.000 0.505 478 E N -1.279 119.101 120.200 0.300 0.000 2.204 478 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 478 E C 1.210 177.872 176.600 0.103 0.000 0.989 478 E CA 1.425 57.956 56.400 0.218 0.000 0.824 478 E CB -0.365 29.454 29.700 0.198 0.000 0.756 478 E HN 0.443 nan 8.360 nan 0.000 0.477 479 D N 0.856 121.300 120.400 0.072 0.000 2.277 479 D HA 0.047 4.687 4.640 -0.000 0.000 0.208 479 D C 1.632 177.938 176.300 0.010 0.000 0.962 479 D CA 1.184 55.210 54.000 0.043 0.000 0.865 479 D CB 0.292 41.114 40.800 0.037 0.000 0.939 479 D HN 0.349 nan 8.370 nan 0.000 0.510 480 A N -0.355 122.443 122.820 -0.037 0.000 1.973 480 A HA 0.092 4.412 4.320 -0.000 0.000 0.210 480 A C 1.612 179.124 177.584 -0.120 0.000 1.200 480 A CA 0.372 52.360 52.037 -0.081 0.000 0.707 480 A CB 0.297 19.229 19.000 -0.114 0.000 0.862 480 A HN 0.101 nan 8.150 nan 0.000 0.461 481 L N -1.271 119.829 121.223 -0.204 0.000 2.749 481 L HA 0.333 4.673 4.340 -0.000 0.000 0.242 481 L C -0.001 176.842 176.870 -0.044 0.000 1.103 481 L CA 0.527 55.251 54.840 -0.194 0.000 0.906 481 L CB -0.490 41.294 42.059 -0.458 0.000 1.228 481 L HN 0.207 nan 8.230 nan 0.000 0.517 482 L N 3.143 124.389 121.223 0.039 0.000 2.480 482 L HA 0.252 4.592 4.340 -0.000 0.000 0.243 482 L C 0.347 177.245 176.870 0.046 0.000 1.315 482 L CA 0.229 55.134 54.840 0.108 0.000 1.231 482 L CB -1.116 41.073 42.059 0.217 0.000 1.444 482 L HN 0.420 nan 8.230 nan 0.000 0.409 483 N N -0.019 118.669 118.700 -0.019 0.000 3.277 483 N HA 0.435 5.175 4.740 -0.000 0.000 0.278 483 N C -2.909 172.489 175.510 -0.188 0.000 1.544 483 N CA -1.054 51.959 53.050 -0.062 0.000 0.869 483 N CB 1.692 40.223 38.487 0.074 0.000 1.584 483 N HN -0.222 nan 8.380 nan 0.000 0.564 484 P HA 0.155 nan 4.420 nan 0.000 0.267 484 P C 0.458 177.518 177.300 -0.399 0.000 1.289 484 P CA 0.335 63.196 63.100 -0.398 0.000 0.866 484 P CB -0.039 31.407 31.700 -0.423 0.000 1.309 485 Y N 0.694 120.958 120.300 -0.061 0.000 2.352 485 Y HA -0.095 4.455 4.550 -0.000 0.000 0.292 485 Y C 2.563 178.412 175.900 -0.085 0.000 1.136 485 Y CA 1.551 59.614 58.100 -0.062 0.000 1.227 485 Y CB -1.701 36.729 38.460 -0.051 0.000 0.991 485 Y HN -0.037 nan 8.280 nan 0.000 0.545 486 T N -0.425 114.131 114.554 0.003 0.000 2.812 486 T HA -0.097 4.253 4.350 -0.000 0.000 0.264 486 T C 2.260 176.872 174.700 -0.147 0.000 1.042 486 T CA 1.134 63.196 62.100 -0.063 0.000 1.140 486 T CB -0.483 68.338 68.868 -0.079 0.000 0.870 486 T HN 0.416 nan 8.240 nan 0.000 0.445 487 A N 1.377 124.107 122.820 -0.150 0.000 1.972 487 A HA 0.202 4.522 4.320 -0.000 0.000 0.219 487 A C 2.562 180.067 177.584 -0.132 0.000 1.169 487 A CA 1.671 53.611 52.037 -0.162 0.000 0.635 487 A CB -0.884 18.074 19.000 -0.069 0.000 0.810 487 A HN 0.492 nan 8.150 nan 0.000 0.446 488 A N -0.114 122.654 122.820 -0.086 0.000 1.968 488 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 488 A C 1.863 179.426 177.584 -0.035 0.000 1.169 488 A CA 1.371 53.387 52.037 -0.035 0.000 0.638 488 A CB -0.421 18.585 19.000 0.009 0.000 0.812 488 A HN 0.631 nan 8.150 nan 0.000 0.446 489 E N -0.165 120.001 120.200 -0.057 0.000 2.110 489 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 489 E C 1.687 178.219 176.600 -0.113 0.000 0.988 489 E CA 0.945 57.306 56.400 -0.064 0.000 0.804 489 E CB -0.135 29.525 29.700 -0.067 0.000 0.745 489 E HN 0.479 nan 8.360 nan 0.000 0.458 490 R N -0.370 119.989 120.500 -0.236 0.000 2.310 490 R HA 0.105 4.445 4.340 -0.000 0.000 0.202 490 R C 1.303 177.527 176.300 -0.127 0.000 0.933 490 R CA 0.742 56.658 56.100 -0.307 0.000 1.054 490 R CB 0.428 30.230 30.300 -0.829 0.000 0.985 490 R HN 0.285 nan 8.270 nan 0.000 0.489 491 G N 1.101 109.872 108.800 -0.049 0.000 2.162 491 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.260 491 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.260 491 G C 0.740 175.759 174.900 0.199 0.000 0.976 491 G CA 0.390 45.530 45.100 0.068 0.000 0.655 491 G HN 0.494 nan 8.290 nan 0.000 0.533 492 Y N -0.039 120.284 120.300 0.038 0.000 2.207 492 Y HA 0.000 4.550 4.550 -0.000 0.000 0.287 492 Y C 1.906 177.785 175.900 -0.036 0.000 1.156 492 Y CA 1.112 59.233 58.100 0.035 0.000 1.182 492 Y CB 0.060 38.611 38.460 0.151 0.000 0.979 492 Y HN 0.461 nan 8.280 nan 0.000 0.521 493 V N -2.765 117.226 119.914 0.129 0.000 2.581 493 V HA 0.218 4.337 4.120 -0.000 0.000 0.303 493 V C 0.050 176.149 176.094 0.008 0.000 1.041 493 V CA -1.007 61.307 62.300 0.025 0.000 0.907 493 V CB 1.962 33.774 31.823 -0.019 0.000 0.994 493 V HN 0.065 nan 8.190 nan 0.000 0.442 494 D N 2.490 122.880 120.400 -0.016 0.000 2.277 494 D HA 0.315 4.955 4.640 -0.000 0.000 0.208 494 D C 0.688 176.981 176.300 -0.011 0.000 0.962 494 D CA 1.762 55.758 54.000 -0.007 0.000 0.865 494 D CB 1.045 41.839 40.800 -0.010 0.000 0.939 494 D HN 0.971 nan 8.370 nan 0.000 0.510 495 A N -0.138 122.657 122.820 -0.042 0.000 2.590 495 A HA 0.435 4.755 4.320 -0.000 0.000 0.294 495 A C -1.424 176.122 177.584 -0.064 0.000 1.046 495 A CA -0.639 51.373 52.037 -0.042 0.000 0.684 495 A CB 1.260 20.224 19.000 -0.060 0.000 1.279 495 A HN -0.110 nan 8.150 nan 0.000 0.415 496 V N 2.427 122.327 119.914 -0.023 0.000 2.370 496 V HA 0.621 4.741 4.120 -0.000 0.000 0.283 496 V C 0.040 176.142 176.094 0.014 0.000 1.023 496 V CA -0.138 62.149 62.300 -0.022 0.000 0.857 496 V CB 0.829 32.643 31.823 -0.015 0.000 0.985 496 V HN 0.907 nan 8.190 nan 0.000 0.443 497 I N 1.574 122.157 120.570 0.023 0.000 2.846 497 I HA 0.658 4.827 4.170 -0.000 0.000 0.307 497 I C -0.278 175.828 176.117 -0.018 0.000 1.053 497 I CA -1.067 60.248 61.300 0.025 0.000 1.050 497 I CB 2.053 40.042 38.000 -0.020 0.000 1.239 497 I HN 0.314 nan 8.210 nan 0.000 0.439 498 M N 3.630 123.200 119.600 -0.051 0.000 2.239 498 M HA 0.224 4.704 4.480 -0.000 0.000 0.348 498 M C -1.693 174.390 176.300 -0.361 0.000 1.239 498 M CA -1.743 53.456 55.300 -0.169 0.000 1.114 498 M CB 0.270 32.808 32.600 -0.103 0.000 1.641 498 M HN 0.449 nan 8.290 nan 0.000 0.453 499 P HA -0.159 nan 4.420 nan 0.000 0.217 499 P C 1.187 178.144 177.300 -0.571 0.000 1.151 499 P CA 1.635 63.904 63.100 -1.386 0.000 0.849 499 P CB 0.029 30.639 31.700 -1.816 0.000 0.787 500 S N -1.906 113.585 115.700 -0.349 0.000 2.547 500 S HA -0.098 4.372 4.470 -0.000 0.000 0.235 500 S C 1.181 175.761 174.600 -0.034 0.000 0.980 500 S CA 0.994 59.103 58.200 -0.152 0.000 0.941 500 S CB -0.832 62.295 63.200 -0.121 0.000 0.763 500 S HN 0.132 nan 8.310 nan 0.000 0.532 501 D N 1.200 121.599 120.400 -0.003 0.000 2.340 501 D HA 0.140 4.780 4.640 -0.000 0.000 0.217 501 D C 1.184 177.621 176.300 0.228 0.000 1.081 501 D CA 0.306 54.372 54.000 0.110 0.000 0.842 501 D CB -0.035 40.861 40.800 0.160 0.000 0.934 501 D HN 0.356 nan 8.370 nan 0.000 0.511 502 T N 0.548 115.236 114.554 0.222 0.000 2.720 502 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 502 T C 1.962 176.831 174.700 0.282 0.000 1.037 502 T CA 0.961 63.260 62.100 0.333 0.000 1.144 502 T CB 0.182 69.342 68.868 0.487 0.000 0.864 502 T HN 0.176 nan 8.240 nan 0.000 0.444 503 R N 0.725 121.358 120.500 0.221 0.000 2.075 503 R HA -0.006 4.334 4.340 -0.000 0.000 0.232 503 R C 2.641 179.024 176.300 0.138 0.000 1.126 503 R CA 1.255 57.465 56.100 0.182 0.000 0.963 503 R CB -0.120 30.271 30.300 0.152 0.000 0.858 503 R HN 0.256 nan 8.270 nan 0.000 0.435 504 R N -0.678 119.883 120.500 0.103 0.000 2.081 504 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 504 R C 2.116 178.419 176.300 0.006 0.000 1.131 504 R CA 1.707 57.822 56.100 0.026 0.000 0.960 504 R CB -0.281 29.996 30.300 -0.039 0.000 0.856 504 R HN 0.420 nan 8.270 nan 0.000 0.436 505 H N 0.225 119.338 119.070 0.071 0.000 2.357 505 H HA -0.102 4.454 4.556 -0.000 0.000 0.301 505 H C 2.181 177.544 175.328 0.059 0.000 1.082 505 H CA 1.617 57.702 56.048 0.062 0.000 1.342 505 H CB 0.114 29.917 29.762 0.069 0.000 1.389 505 H HN 0.195 nan 8.280 nan 0.000 0.511 506 I N 0.383 121.073 120.570 0.200 0.000 2.142 506 I HA -0.217 3.953 4.170 -0.000 0.000 0.240 506 I C 2.709 178.891 176.117 0.108 0.000 1.078 506 I CA 0.794 62.177 61.300 0.140 0.000 1.343 506 I CB -1.158 36.938 38.000 0.159 0.000 1.046 506 I HN 0.025 nan 8.210 nan 0.000 0.405 507 V N 2.304 122.278 119.914 0.100 0.000 2.255 507 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 507 V C 2.823 178.950 176.094 0.055 0.000 1.051 507 V CA 2.229 64.575 62.300 0.076 0.000 1.018 507 V CB -0.936 30.927 31.823 0.066 0.000 0.641 507 V HN 0.491 nan 8.190 nan 0.000 0.445 508 R N 1.481 122.005 120.500 0.039 0.000 2.115 508 R HA -0.032 4.308 4.340 -0.000 0.000 0.226 508 R C 2.133 178.456 176.300 0.039 0.000 1.100 508 R CA 2.025 58.139 56.100 0.022 0.000 0.980 508 R CB -1.385 28.905 30.300 -0.017 0.000 0.875 508 R HN 0.432 nan 8.270 nan 0.000 0.445 509 G N 1.673 110.510 108.800 0.062 0.000 2.402 509 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.216 509 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.216 509 G C 1.744 176.674 174.900 0.050 0.000 1.162 509 G CA 0.554 45.692 45.100 0.063 0.000 0.777 509 G HN 0.265 nan 8.290 nan 0.000 0.539 510 L N -0.227 121.029 121.223 0.056 0.000 2.131 510 L HA -0.038 4.302 4.340 -0.000 0.000 0.210 510 L C 3.158 180.056 176.870 0.045 0.000 1.092 510 L CA 0.754 55.627 54.840 0.054 0.000 0.759 510 L CB -0.252 41.848 42.059 0.068 0.000 0.903 510 L HN 0.180 nan 8.230 nan 0.000 0.435 511 R N -0.679 119.846 120.500 0.041 0.000 2.075 511 R HA -0.142 4.198 4.340 -0.000 0.000 0.232 511 R C 2.354 178.670 176.300 0.027 0.000 1.126 511 R CA 1.100 57.220 56.100 0.033 0.000 0.963 511 R CB -0.138 30.179 30.300 0.029 0.000 0.858 511 R HN 0.411 nan 8.270 nan 0.000 0.435 512 Q N 0.041 119.858 119.800 0.027 0.000 2.137 512 Q HA -0.065 4.275 4.340 -0.000 0.000 0.198 512 Q C 1.939 177.952 176.000 0.022 0.000 0.960 512 Q CA 0.894 56.711 55.803 0.023 0.000 0.847 512 Q CB 0.049 28.802 28.738 0.024 0.000 0.915 512 Q HN 0.203 nan 8.270 nan 0.000 0.448 513 L N 1.257 122.496 121.223 0.026 0.000 2.395 513 L HA -0.082 4.258 4.340 -0.000 0.000 0.218 513 L C 2.325 179.210 176.870 0.024 0.000 1.130 513 L CA 1.229 56.083 54.840 0.024 0.000 0.826 513 L CB -0.595 41.480 42.059 0.026 0.000 0.941 513 L HN 0.244 nan 8.230 nan 0.000 0.451 514 R N -0.750 119.766 120.500 0.027 0.000 2.200 514 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 514 R C 1.348 177.660 176.300 0.019 0.000 1.127 514 R CA 1.640 57.756 56.100 0.026 0.000 0.989 514 R CB -1.283 29.033 30.300 0.027 0.000 0.869 514 R HN 0.445 nan 8.270 nan 0.000 0.459 515 T N -1.550 113.014 114.554 0.016 0.000 3.188 515 T HA 0.098 4.448 4.350 -0.000 0.000 0.250 515 T C 0.495 175.200 174.700 0.009 0.000 1.077 515 T CA -0.542 61.565 62.100 0.011 0.000 0.967 515 T CB 0.083 68.957 68.868 0.010 0.000 1.006 515 T HN 0.234 nan 8.240 nan 0.000 0.552 516 K N 2.046 122.452 120.400 0.011 0.000 2.484 516 K HA 0.061 4.381 4.320 -0.000 0.000 0.280 516 K C -0.540 176.062 176.600 0.005 0.000 1.013 516 K CA 0.066 56.357 56.287 0.008 0.000 1.029 516 K CB 0.352 32.858 32.500 0.009 0.000 0.902 516 K HN 0.355 nan 8.250 nan 0.000 0.481 517 R N 3.921 124.422 120.500 0.001 0.000 2.483 517 R HA 0.302 4.642 4.340 -0.000 0.000 0.303 517 R C -1.022 175.275 176.300 -0.005 0.000 0.987 517 R CA -0.825 55.273 56.100 -0.002 0.000 0.881 517 R CB 1.699 31.998 30.300 -0.002 0.000 1.177 517 R HN 0.625 nan 8.270 nan 0.000 0.451 518 E N 1.203 121.398 120.200 -0.008 0.000 2.412 518 E HA 0.423 4.773 4.350 -0.000 0.000 0.279 518 E C -1.207 175.383 176.600 -0.017 0.000 0.984 518 E CA -0.636 55.756 56.400 -0.013 0.000 0.788 518 E CB 2.560 32.251 29.700 -0.014 0.000 1.277 518 E HN 0.647 nan 8.360 nan 0.000 0.455 519 S N 0.223 115.910 115.700 -0.020 0.000 2.550 519 S HA 0.633 5.103 4.470 -0.000 0.000 0.270 519 S C -0.920 173.663 174.600 -0.029 0.000 1.145 519 S CA -0.839 57.347 58.200 -0.024 0.000 0.852 519 S CB 1.098 64.286 63.200 -0.020 0.000 1.119 519 S HN 0.205 nan 8.310 nan 0.000 0.465 520 L N 1.375 122.577 121.223 -0.034 0.000 2.479 520 L HA 0.602 4.942 4.340 -0.000 0.000 0.249 520 L C -2.086 174.765 176.870 -0.032 0.000 1.178 520 L CA -1.633 53.182 54.840 -0.041 0.000 0.811 520 L CB -0.752 41.276 42.059 -0.052 0.000 1.187 520 L HN 0.562 nan 8.230 nan 0.000 0.480 521 P HA 0.120 nan 4.420 nan 0.000 0.269 521 P C -2.490 174.794 177.300 -0.026 0.000 1.209 521 P CA -0.738 62.345 63.100 -0.028 0.000 0.776 521 P CB -0.336 31.347 31.700 -0.028 0.000 0.876 522 P HA 0.101 nan 4.420 nan 0.000 0.268 522 P C -0.694 176.587 177.300 -0.033 0.000 1.205 522 P CA 0.264 63.349 63.100 -0.026 0.000 0.771 522 P CB 0.545 32.231 31.700 -0.023 0.000 0.858 523 K N 0.197 120.574 120.400 -0.038 0.000 2.642 523 K HA 0.285 4.605 4.320 -0.000 0.000 0.290 523 K C 0.158 176.714 176.600 -0.072 0.000 1.006 523 K CA -1.051 55.198 56.287 -0.063 0.000 0.869 523 K CB 0.970 33.435 32.500 -0.059 0.000 1.499 523 K HN -0.057 nan 8.250 nan 0.000 0.403 524 K N -0.044 120.272 120.400 -0.141 0.000 2.057 524 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 524 K C 0.007 176.588 176.600 -0.031 0.000 1.050 524 K CA 2.059 58.274 56.287 -0.119 0.000 0.935 524 K CB -0.332 32.040 32.500 -0.213 0.000 0.715 524 K HN 0.818 nan 8.250 nan 0.000 0.439 525 H N -4.272 114.800 119.070 0.004 0.000 2.921 525 H HA 0.370 4.926 4.556 -0.000 0.000 0.287 525 H C -0.325 175.032 175.328 0.049 0.000 1.434 525 H CA -0.690 55.368 56.048 0.018 0.000 1.178 525 H CB 0.229 29.993 29.762 0.003 0.000 1.836 525 H HN 0.039 nan 8.280 nan 0.000 0.495 526 G N -0.916 108.074 108.800 0.317 0.000 2.535 526 G HA2 0.243 4.203 3.960 -0.000 0.000 0.282 526 G HA3 0.243 4.203 3.960 -0.000 0.000 0.282 526 G C -0.533 174.567 174.900 0.334 0.000 1.350 526 G CA -0.591 44.708 45.100 0.330 0.000 1.039 526 G HN 0.894 nan 8.290 nan 0.000 0.509 527 N N -0.569 118.269 118.700 0.231 0.000 2.679 527 N HA 0.155 4.895 4.740 -0.000 0.000 0.302 527 N C 0.033 175.460 175.510 -0.138 0.000 1.941 527 N CA -0.448 52.649 53.050 0.077 0.000 0.875 527 N CB 0.336 38.880 38.487 0.095 0.000 1.278 527 N HN 0.413 nan 8.380 nan 0.000 0.490 528 I N 1.551 121.808 120.570 -0.521 0.000 2.880 528 I HA 0.038 4.208 4.170 -0.000 0.000 0.296 528 I C -1.955 173.889 176.117 -0.456 0.000 1.220 528 I CA -1.028 59.626 61.300 -1.077 0.000 1.435 528 I CB 0.765 38.013 38.000 -1.254 0.000 1.339 528 I HN 0.221 nan 8.210 nan 0.000 0.583 529 P HA 0.067 nan 4.420 nan 0.000 0.265 529 P C -0.890 176.324 177.300 -0.143 0.000 1.187 529 P CA -0.018 62.990 63.100 -0.152 0.000 0.766 529 P CB 0.572 32.222 31.700 -0.083 0.000 0.820 530 L N 0.000 121.165 121.223 -0.096 0.000 2.949 530 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 530 L CA 0.000 54.792 54.840 -0.080 0.000 0.813 530 L CB 0.000 42.009 42.059 -0.083 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502