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 1vco_1_A DATA FIRST_RESID 10 DATA SEQUENCE RPRKYVFITG GVVSSLGKGI LTSSLGALLR ARGYRVTAIK IDPYVNVDAG DATA SEQUENCE TMRPYEHGEV FVTADGAETD LDIGHYERFL DMDLSRGNNL TTGQVYLSVI DATA SEQUENCE QKERRGEYLS QTVQVIPHIT DEIKERIRKV AEEQKAEIVV VEVGGTVGDI DATA SEQUENCE ESLPFLEAIR QFRFDEGEGN TLYLHLTLVP YLETSEEFKT KPTQHSVATL DATA SEQUENCE RGVGIQPDIL VLRSARPVPE EVRRKVALFT NVRPGHVFSS PTVEHLYEVP DATA SEQUENCE LLLEEQGLGR AVERALGLEA VIPNLSFWQE AVRVLKHPER TVKIAIAGKY DATA SEQUENCE VXXXDAYLSL LEALRHAGIK NRARVEVKWV DAESLXXADL EEAFRDVSGI DATA SEQUENCE LVPGGFGVRG IEGKVRAAQY ARERKIPYLG ICLGLQIAVI EFARNVAGLK DATA SEQUENCE GANSTEFDPH TPHPVIDLMP EQLEVXXXGG TMRLGDWPMR IKPGTLLHRL DATA SEQUENCE YGKEEVLERH RHRYEVNPLY VDGLERAGLV VSATTPGMRG RGAGLVEAIE DATA SEQUENCE LKDHPFFLGL QSHPEFKSRP MRPSPPFVGF VEAALAYQE 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 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.314 176.300 0.023 0.000 0.893 10 R CA 0.000 56.115 56.100 0.025 0.000 0.921 10 R CB 0.000 30.317 30.300 0.029 0.000 0.687 11 P HA 0.107 nan 4.420 nan 0.000 0.269 11 P C -0.641 176.670 177.300 0.018 0.000 1.209 11 P CA -0.506 62.614 63.100 0.035 0.000 0.776 11 P CB 1.055 32.781 31.700 0.044 0.000 0.876 12 R N 1.981 122.497 120.500 0.028 0.000 2.438 12 R HA 0.157 4.498 4.340 0.003 0.000 0.287 12 R C -0.119 176.133 176.300 -0.080 0.000 1.077 12 R CA -0.341 55.722 56.100 -0.062 0.000 1.034 12 R CB 0.473 30.737 30.300 -0.060 0.000 0.993 12 R HN 0.299 nan 8.270 nan 0.000 0.459 13 K N 3.974 124.232 120.400 -0.235 0.000 2.138 13 K HA 0.233 4.555 4.320 0.003 0.000 0.263 13 K C -1.237 175.102 176.600 -0.435 0.000 0.965 13 K CA -0.533 55.633 56.287 -0.202 0.000 0.868 13 K CB 1.486 33.855 32.500 -0.218 0.000 1.083 13 K HN 0.478 nan 8.250 nan 0.000 0.443 14 Y N 0.009 120.148 120.300 -0.270 0.000 2.350 14 Y HA 0.327 4.878 4.550 0.002 0.000 0.338 14 Y C -0.071 175.384 175.900 -0.741 0.000 0.961 14 Y CA -0.982 56.772 58.100 -0.578 0.000 1.100 14 Y CB 1.902 39.944 38.460 -0.697 0.000 1.179 14 Y HN 0.093 nan 8.280 nan 0.000 0.454 15 V N 5.322 124.811 119.914 -0.708 0.000 2.350 15 V HA 0.387 4.509 4.120 0.003 0.000 0.285 15 V C -0.765 174.893 176.094 -0.726 0.000 1.014 15 V CA -1.000 60.953 62.300 -0.578 0.000 0.831 15 V CB 0.365 31.966 31.823 -0.371 0.000 1.000 15 V HN 0.508 nan 8.190 nan 0.000 0.433 16 F N 4.981 124.725 119.950 -0.344 0.000 2.399 16 F HA 0.650 5.178 4.527 0.002 0.000 0.334 16 F C 0.276 175.992 175.800 -0.139 0.000 1.097 16 F CA -0.659 57.172 58.000 -0.282 0.000 1.076 16 F CB 1.388 40.142 39.000 -0.411 0.000 1.162 16 F HN 0.228 nan 8.300 nan 0.000 0.495 17 I N 2.404 123.027 120.570 0.087 0.000 2.439 17 I HA 0.337 4.508 4.170 0.003 0.000 0.285 17 I C -0.420 175.768 176.117 0.118 0.000 1.021 17 I CA -0.481 60.863 61.300 0.072 0.000 1.091 17 I CB 1.950 39.939 38.000 -0.018 0.000 1.242 17 I HN 0.665 nan 8.210 nan 0.000 0.439 18 T N 1.760 116.429 114.554 0.191 0.000 2.940 18 T HA 0.857 5.209 4.350 0.003 0.000 0.288 18 T C -0.110 174.702 174.700 0.187 0.000 1.045 18 T CA -0.936 61.309 62.100 0.241 0.000 1.018 18 T CB 2.239 71.318 68.868 0.353 0.000 1.151 18 T HN 0.663 nan 8.240 nan 0.000 0.529 19 G N -1.334 107.550 108.800 0.140 0.000 2.571 19 G HA2 0.721 4.682 3.960 0.003 0.000 0.304 19 G HA3 0.721 4.682 3.960 0.003 0.000 0.304 19 G C -0.632 174.295 174.900 0.044 0.000 1.314 19 G CA -0.702 44.365 45.100 -0.055 0.000 0.975 19 G HN 1.039 nan 8.290 nan 0.000 0.485 20 G N -1.597 107.121 108.800 -0.138 0.000 2.680 20 G HA2 0.690 4.651 3.960 0.003 0.000 0.290 20 G HA3 0.690 4.651 3.960 0.003 0.000 0.290 20 G C 0.385 175.310 174.900 0.043 0.000 1.355 20 G CA 0.242 45.396 45.100 0.090 0.000 0.903 20 G HN 1.609 nan 8.290 nan 0.000 0.474 21 V N -2.303 117.664 119.914 0.089 0.000 0.575 21 V HA -0.309 3.812 4.120 0.003 0.000 0.092 21 V C 0.993 177.114 176.094 0.046 0.000 1.919 21 V CA 2.379 64.718 62.300 0.065 0.000 3.435 21 V CB -2.278 29.573 31.823 0.047 0.000 0.726 21 V HN 2.160 nan 8.190 nan 0.000 0.753 22 V N -2.097 117.835 119.914 0.029 0.000 3.040 22 V HA 0.880 5.002 4.120 0.003 0.000 0.312 22 V C 1.101 177.205 176.094 0.017 0.000 1.115 22 V CA 0.330 62.645 62.300 0.024 0.000 0.998 22 V CB 1.747 33.581 31.823 0.018 0.000 1.042 22 V HN 1.194 nan 8.190 nan 0.000 0.433 23 S N 0.608 116.319 115.700 0.018 0.000 2.453 23 S HA -0.000 4.472 4.470 0.003 0.000 0.231 23 S C 1.069 175.672 174.600 0.006 0.000 1.005 23 S CA 1.067 59.276 58.200 0.015 0.000 0.949 23 S CB -0.194 63.018 63.200 0.019 0.000 0.774 23 S HN 1.354 nan 8.310 nan 0.000 0.510 24 S N 0.201 115.903 115.700 0.003 0.000 2.498 24 S HA 0.680 5.152 4.470 0.003 0.000 0.324 24 S C -0.117 174.477 174.600 -0.010 0.000 1.071 24 S CA -0.863 57.335 58.200 -0.003 0.000 1.113 24 S CB 0.486 63.687 63.200 0.001 0.000 0.976 24 S HN 0.460 nan 8.310 nan 0.000 0.462 25 L N 3.949 125.158 121.223 -0.022 0.000 3.515 25 L HA 0.397 4.739 4.340 0.003 0.000 0.322 25 L C 1.273 178.116 176.870 -0.044 0.000 1.225 25 L CA -0.003 54.819 54.840 -0.030 0.000 1.104 25 L CB 0.471 42.506 42.059 -0.039 0.000 1.506 25 L HN 0.856 nan 8.230 nan 0.000 0.624 26 G N 1.490 110.258 108.800 -0.053 0.000 2.160 26 G HA2 -0.332 3.629 3.960 0.003 0.000 0.244 26 G HA3 -0.332 3.629 3.960 0.003 0.000 0.244 26 G C 0.783 175.622 174.900 -0.101 0.000 1.022 26 G CA 0.751 45.801 45.100 -0.083 0.000 0.741 26 G HN 0.339 nan 8.290 nan 0.000 0.508 27 K N -0.007 120.347 120.400 -0.076 0.000 2.280 27 K HA 0.047 4.369 4.320 0.003 0.000 0.202 27 K C 2.643 179.199 176.600 -0.074 0.000 1.047 27 K CA 1.905 58.149 56.287 -0.072 0.000 0.942 27 K CB -0.554 31.919 32.500 -0.045 0.000 0.739 27 K HN 0.465 nan 8.250 nan 0.000 0.457 28 G N 1.055 109.806 108.800 -0.082 0.000 2.402 28 G HA2 -0.166 3.795 3.960 0.003 0.000 0.216 28 G HA3 -0.166 3.795 3.960 0.003 0.000 0.216 28 G C 1.315 176.118 174.900 -0.162 0.000 1.162 28 G CA 0.444 45.508 45.100 -0.060 0.000 0.777 28 G HN 0.184 nan 8.290 nan 0.000 0.539 29 I N 0.600 120.989 120.570 -0.302 0.000 2.546 29 I HA 0.011 4.182 4.170 0.003 0.000 0.255 29 I C 2.488 178.374 176.117 -0.385 0.000 1.163 29 I CA 0.448 61.472 61.300 -0.460 0.000 1.457 29 I CB -0.771 36.997 38.000 -0.388 0.000 1.092 29 I HN 0.150 nan 8.210 nan 0.000 0.434 30 L N 0.839 121.918 121.223 -0.241 0.000 2.027 30 L HA -0.133 4.209 4.340 0.003 0.000 0.206 30 L C 2.417 179.153 176.870 -0.224 0.000 1.074 30 L CA 2.030 56.748 54.840 -0.204 0.000 0.745 30 L CB -1.035 40.940 42.059 -0.140 0.000 0.898 30 L HN 0.109 nan 8.230 nan 0.000 0.433 31 T N -0.701 113.736 114.554 -0.195 0.000 2.684 31 T HA -0.169 4.183 4.350 0.003 0.000 0.267 31 T C 1.963 176.480 174.700 -0.306 0.000 1.036 31 T CA 1.772 63.733 62.100 -0.232 0.000 1.148 31 T CB -0.428 68.330 68.868 -0.184 0.000 0.863 31 T HN 0.416 nan 8.240 nan 0.000 0.436 32 S N 1.428 116.944 115.700 -0.307 0.000 2.359 32 S HA -0.109 4.363 4.470 0.003 0.000 0.224 32 S C 2.520 176.907 174.600 -0.355 0.000 1.035 32 S CA 1.277 59.255 58.200 -0.370 0.000 1.018 32 S CB -0.439 62.313 63.200 -0.745 0.000 0.876 32 S HN 0.451 nan 8.310 nan 0.000 0.448 33 S N 1.473 116.909 115.700 -0.441 0.000 2.382 33 S HA -0.024 4.448 4.470 0.003 0.000 0.228 33 S C 1.790 176.274 174.600 -0.194 0.000 1.027 33 S CA 0.867 58.914 58.200 -0.255 0.000 0.991 33 S CB -0.387 62.662 63.200 -0.251 0.000 0.823 33 S HN 0.347 nan 8.310 nan 0.000 0.469 34 L N 2.175 123.271 121.223 -0.211 0.000 2.093 34 L HA 0.123 4.465 4.340 0.003 0.000 0.208 34 L C 2.197 178.970 176.870 -0.161 0.000 1.085 34 L CA 1.750 56.474 54.840 -0.192 0.000 0.755 34 L CB -1.313 40.620 42.059 -0.211 0.000 0.904 34 L HN 0.280 nan 8.230 nan 0.000 0.435 35 G N -0.794 107.905 108.800 -0.169 0.000 2.440 35 G HA2 -0.287 3.675 3.960 0.003 0.000 0.218 35 G HA3 -0.287 3.675 3.960 0.003 0.000 0.218 35 G C 1.600 176.485 174.900 -0.025 0.000 1.154 35 G CA 0.845 45.870 45.100 -0.125 0.000 0.767 35 G HN 0.620 nan 8.290 nan 0.000 0.552 36 A N 0.552 123.384 122.820 0.020 0.000 1.902 36 A HA 0.116 4.438 4.320 0.003 0.000 0.217 36 A C 2.433 180.054 177.584 0.062 0.000 1.181 36 A CA 1.226 53.321 52.037 0.097 0.000 0.623 36 A CB -0.381 18.628 19.000 0.015 0.000 0.818 36 A HN 0.354 nan 8.150 nan 0.000 0.443 37 L N -0.683 120.522 121.223 -0.030 0.000 2.083 37 L HA -0.160 4.182 4.340 0.003 0.000 0.209 37 L C 2.475 179.363 176.870 0.028 0.000 1.083 37 L CA 0.925 55.754 54.840 -0.018 0.000 0.752 37 L CB -0.538 41.472 42.059 -0.081 0.000 0.899 37 L HN 0.383 nan 8.230 nan 0.000 0.433 38 L N -0.843 120.387 121.223 0.012 0.000 2.109 38 L HA -0.111 4.230 4.340 0.003 0.000 0.207 38 L C 2.786 179.750 176.870 0.156 0.000 1.086 38 L CA 0.936 55.817 54.840 0.067 0.000 0.760 38 L CB -0.429 41.596 42.059 -0.057 0.000 0.910 38 L HN 0.202 nan 8.230 nan 0.000 0.437 39 R N 0.249 120.810 120.500 0.100 0.000 2.115 39 R HA -0.034 4.308 4.340 0.003 0.000 0.226 39 R C 2.183 178.539 176.300 0.093 0.000 1.100 39 R CA 1.084 57.244 56.100 0.100 0.000 0.980 39 R CB -0.337 30.015 30.300 0.087 0.000 0.875 39 R HN 0.273 nan 8.270 nan 0.000 0.445 40 A N 0.977 123.867 122.820 0.118 0.000 2.248 40 A HA -0.078 4.243 4.320 0.003 0.000 0.210 40 A C 1.601 179.223 177.584 0.063 0.000 1.174 40 A CA 0.804 52.908 52.037 0.112 0.000 0.750 40 A CB -0.156 18.941 19.000 0.162 0.000 0.780 40 A HN 0.192 nan 8.150 nan 0.000 0.478 41 R N -1.845 118.693 120.500 0.063 0.000 2.432 41 R HA 0.261 4.603 4.340 0.003 0.000 0.260 41 R C 1.181 177.380 176.300 -0.169 0.000 0.935 41 R CA 0.528 56.626 56.100 -0.003 0.000 1.080 41 R CB 0.298 30.671 30.300 0.123 0.000 1.155 41 R HN 0.592 nan 8.270 nan 0.000 0.531 42 G N 0.264 109.004 108.800 -0.101 0.000 2.176 42 G HA2 -0.307 3.654 3.960 0.003 0.000 0.253 42 G HA3 -0.307 3.654 3.960 0.003 0.000 0.253 42 G C -0.178 174.620 174.900 -0.170 0.000 0.979 42 G CA -0.182 44.825 45.100 -0.155 0.000 0.641 42 G HN 0.229 nan 8.290 nan 0.000 0.530 43 Y N 0.601 120.884 120.300 -0.030 0.000 2.326 43 Y HA 0.562 5.114 4.550 0.002 0.000 0.333 43 Y C 1.172 177.044 175.900 -0.046 0.000 1.240 43 Y CA 0.430 58.504 58.100 -0.044 0.000 1.365 43 Y CB 0.537 38.962 38.460 -0.059 0.000 1.289 43 Y HN 0.507 nan 8.280 nan 0.000 0.548 44 R N 1.985 122.565 120.500 0.133 0.000 2.202 44 R HA 0.665 5.006 4.340 0.003 0.000 0.334 44 R C -1.214 175.094 176.300 0.013 0.000 1.036 44 R CA -0.508 55.619 56.100 0.046 0.000 0.878 44 R CB -0.379 29.934 30.300 0.022 0.000 1.067 44 R HN 0.584 nan 8.270 nan 0.000 0.457 45 V N 0.542 120.448 119.914 -0.014 0.000 3.074 45 V HA 0.887 5.009 4.120 0.003 0.000 0.314 45 V C 0.220 176.264 176.094 -0.084 0.000 1.117 45 V CA -0.748 61.507 62.300 -0.076 0.000 1.014 45 V CB 2.486 34.260 31.823 -0.081 0.000 1.057 45 V HN 0.923 nan 8.190 nan 0.000 0.438 46 T N 0.786 115.259 114.554 -0.135 0.000 2.932 46 T HA 0.736 5.087 4.350 0.003 0.000 0.318 46 T C -1.357 173.226 174.700 -0.195 0.000 1.265 46 T CA 0.162 62.190 62.100 -0.120 0.000 1.036 46 T CB 1.600 70.421 68.868 -0.079 0.000 1.209 46 T HN 1.285 nan 8.240 nan 0.000 0.484 47 A N 3.778 126.469 122.820 -0.215 0.000 2.350 47 A HA 0.895 5.217 4.320 0.003 0.000 0.324 47 A C -0.970 176.523 177.584 -0.152 0.000 1.118 47 A CA -0.671 51.142 52.037 -0.372 0.000 0.783 47 A CB 0.790 19.242 19.000 -0.913 0.000 1.236 47 A HN 0.802 nan 8.150 nan 0.000 0.457 48 I N 1.524 122.030 120.570 -0.107 0.000 2.436 48 I HA 0.351 4.522 4.170 0.003 0.000 0.289 48 I C -0.313 175.874 176.117 0.117 0.000 1.010 48 I CA -0.780 60.547 61.300 0.044 0.000 1.098 48 I CB 2.180 40.187 38.000 0.011 0.000 1.266 48 I HN 0.595 nan 8.210 nan 0.000 0.434 49 K N 7.671 128.189 120.400 0.196 0.000 2.263 49 K HA 0.511 4.833 4.320 0.003 0.000 0.272 49 K C -1.057 175.498 176.600 -0.075 0.000 1.033 49 K CA -0.086 56.267 56.287 0.110 0.000 0.884 49 K CB 0.603 33.117 32.500 0.023 0.000 1.107 49 K HN 0.517 nan 8.250 nan 0.000 0.460 50 I N 3.937 124.416 120.570 -0.152 0.000 2.325 50 I HA 0.155 4.326 4.170 0.003 0.000 0.291 50 I C -0.268 175.590 176.117 -0.431 0.000 1.019 50 I CA -0.189 60.893 61.300 -0.364 0.000 1.302 50 I CB 0.994 38.695 38.000 -0.498 0.000 1.401 50 I HN 0.530 nan 8.210 nan 0.000 0.485 51 D N 9.246 129.327 120.400 -0.532 0.000 2.460 51 D HA 0.223 4.865 4.640 0.003 0.000 0.232 51 D C -1.796 174.109 176.300 -0.658 0.000 1.079 51 D CA -1.342 52.267 54.000 -0.651 0.000 0.864 51 D CB 2.010 42.203 40.800 -1.011 0.000 1.048 51 D HN 0.220 nan 8.370 nan 0.000 0.523 52 P HA -0.142 nan 4.420 nan 0.000 0.224 52 P C 0.109 177.428 177.300 0.031 0.000 1.142 52 P CA 0.840 63.887 63.100 -0.089 0.000 0.778 52 P CB -0.236 31.483 31.700 0.032 0.000 0.764 53 Y N -2.912 117.399 120.300 0.019 0.000 2.511 53 Y HA 0.096 4.647 4.550 0.002 0.000 0.347 53 Y C 1.489 177.407 175.900 0.030 0.000 1.257 53 Y CA -1.149 56.960 58.100 0.015 0.000 1.469 53 Y CB -0.713 37.742 38.460 -0.008 0.000 1.353 53 Y HN -0.379 nan 8.280 nan 0.000 0.617 54 V N 0.890 120.968 119.914 0.273 0.000 3.041 54 V HA -0.162 3.959 4.120 0.003 0.000 0.260 54 V C 0.680 176.882 176.094 0.179 0.000 1.105 54 V CA 0.459 62.853 62.300 0.157 0.000 1.125 54 V CB -1.124 30.725 31.823 0.044 0.000 0.730 54 V HN 0.768 nan 8.190 nan 0.000 0.479 55 N N 0.716 119.543 118.700 0.212 0.000 2.412 55 N HA 0.019 4.761 4.740 0.003 0.000 0.258 55 N C 1.166 176.810 175.510 0.223 0.000 1.236 55 N CA -0.028 53.086 53.050 0.106 0.000 0.882 55 N CB 2.163 40.561 38.487 -0.148 0.000 1.066 55 N HN 0.048 nan 8.380 nan 0.000 0.465 56 V N 1.464 121.460 119.914 0.136 0.000 2.332 56 V HA -0.242 3.880 4.120 0.003 0.000 0.248 56 V C 0.674 176.861 176.094 0.155 0.000 1.055 56 V CA 1.896 64.278 62.300 0.137 0.000 1.038 56 V CB -0.664 31.215 31.823 0.094 0.000 0.651 56 V HN 0.846 nan 8.190 nan 0.000 0.450 57 D N -3.136 117.345 120.400 0.136 0.000 2.677 57 D HA 0.497 5.139 4.640 0.003 0.000 0.298 57 D C 0.137 176.491 176.300 0.089 0.000 1.250 57 D CA 0.009 54.091 54.000 0.136 0.000 0.888 57 D CB 1.128 41.977 40.800 0.082 0.000 1.397 57 D HN -0.022 nan 8.370 nan 0.000 0.461 58 A N -0.511 122.351 122.820 0.071 0.000 2.259 58 A HA 0.396 4.718 4.320 0.003 0.000 0.208 58 A C 1.767 179.326 177.584 -0.042 0.000 1.201 58 A CA 0.833 52.865 52.037 -0.007 0.000 0.824 58 A CB -1.289 17.717 19.000 0.010 0.000 0.838 58 A HN 0.615 nan 8.150 nan 0.000 0.485 59 G N 0.070 108.857 108.800 -0.022 0.000 2.448 59 G HA2 -0.173 3.789 3.960 0.003 0.000 0.219 59 G HA3 -0.173 3.789 3.960 0.003 0.000 0.219 59 G C 1.502 176.369 174.900 -0.055 0.000 1.127 59 G CA 1.660 46.740 45.100 -0.033 0.000 0.766 59 G HN 0.681 nan 8.290 nan 0.000 0.552 60 T N -1.940 112.579 114.554 -0.058 0.000 3.107 60 T HA 0.432 4.784 4.350 0.003 0.000 0.249 60 T C 1.121 175.773 174.700 -0.079 0.000 1.096 60 T CA -0.232 61.830 62.100 -0.064 0.000 1.012 60 T CB -0.030 68.807 68.868 -0.052 0.000 0.977 60 T HN 0.126 nan 8.240 nan 0.000 0.527 61 M N 1.419 120.963 119.600 -0.094 0.000 2.245 61 M HA 0.557 5.039 4.480 0.003 0.000 0.292 61 M C 0.985 177.239 176.300 -0.077 0.000 1.176 61 M CA -0.862 54.387 55.300 -0.086 0.000 1.035 61 M CB 0.527 33.061 32.600 -0.111 0.000 1.440 61 M HN 0.171 nan 8.290 nan 0.000 0.494 62 R N 0.983 121.468 120.500 -0.026 0.000 2.442 62 R HA 0.234 4.575 4.340 0.003 0.000 0.291 62 R C -2.431 173.794 176.300 -0.124 0.000 1.069 62 R CA -1.280 54.790 56.100 -0.051 0.000 1.022 62 R CB -1.627 28.671 30.300 -0.004 0.000 0.976 62 R HN 0.497 nan 8.270 nan 0.000 0.443 63 P HA -0.076 nan 4.420 nan 0.000 0.218 63 P C -0.044 176.899 177.300 -0.595 0.000 1.149 63 P CA 1.354 64.256 63.100 -0.331 0.000 0.817 63 P CB 0.148 31.710 31.700 -0.230 0.000 0.785 64 Y N -2.361 117.737 120.300 -0.337 0.000 2.921 64 Y HA 0.184 4.735 4.550 0.002 0.000 0.246 64 Y C 2.429 177.957 175.900 -0.620 0.000 1.030 64 Y CA -0.237 57.499 58.100 -0.607 0.000 1.338 64 Y CB -0.821 36.907 38.460 -1.219 0.000 1.493 64 Y HN -0.208 nan 8.280 nan 0.000 0.452 65 E N 0.619 120.506 120.200 -0.523 0.000 2.181 65 E HA -0.298 4.053 4.350 0.003 0.000 0.225 65 E C 0.568 176.912 176.600 -0.427 0.000 1.073 65 E CA 2.244 58.382 56.400 -0.437 0.000 0.916 65 E CB -0.244 29.171 29.700 -0.475 0.000 0.793 65 E HN 0.492 nan 8.360 nan 0.000 0.472 66 H N -0.615 118.401 119.070 -0.090 0.000 2.605 66 H HA 0.376 4.934 4.556 0.002 0.000 0.308 66 H C 0.317 175.598 175.328 -0.078 0.000 1.080 66 H CA 0.693 56.699 56.048 -0.069 0.000 1.119 66 H CB 0.169 29.894 29.762 -0.061 0.000 1.479 66 H HN 0.355 nan 8.280 nan 0.000 0.537 67 G N 1.477 110.246 108.800 -0.051 0.000 2.770 67 G HA2 -0.172 3.789 3.960 0.003 0.000 0.686 67 G HA3 -0.172 3.789 3.960 0.003 0.000 0.686 67 G C -0.376 174.469 174.900 -0.092 0.000 1.180 67 G CA -0.646 44.425 45.100 -0.048 0.000 0.767 67 G HN 0.427 nan 8.290 nan 0.000 0.646 68 E N 0.160 120.309 120.200 -0.086 0.000 2.437 68 E HA 0.332 4.683 4.350 0.003 0.000 0.263 68 E C -0.162 176.376 176.600 -0.102 0.000 1.030 68 E CA -0.393 55.938 56.400 -0.115 0.000 0.934 68 E CB 0.888 30.590 29.700 0.003 0.000 0.943 68 E HN 0.581 nan 8.360 nan 0.000 0.444 69 V N 5.646 125.461 119.914 -0.165 0.000 2.347 69 V HA 0.201 4.322 4.120 0.003 0.000 0.280 69 V C -0.253 175.731 176.094 -0.183 0.000 1.021 69 V CA -0.597 61.623 62.300 -0.133 0.000 0.847 69 V CB 0.485 32.217 31.823 -0.152 0.000 0.990 69 V HN 0.609 nan 8.190 nan 0.000 0.444 70 F N 5.649 125.390 119.950 -0.350 0.000 2.410 70 F HA 0.537 5.065 4.527 0.003 0.000 0.334 70 F C 0.094 175.548 175.800 -0.577 0.000 1.134 70 F CA 0.138 57.771 58.000 -0.612 0.000 1.227 70 F CB 1.151 39.892 39.000 -0.431 0.000 1.194 70 F HN 0.235 nan 8.300 nan 0.000 0.571 71 V N 3.911 122.902 119.914 -1.538 0.000 2.531 71 V HA 0.347 4.469 4.120 0.003 0.000 0.301 71 V C -0.207 175.433 176.094 -0.757 0.000 1.034 71 V CA -0.688 61.136 62.300 -0.793 0.000 0.865 71 V CB 1.797 33.339 31.823 -0.469 0.000 0.995 71 V HN 0.933 nan 8.190 nan 0.000 0.424 72 T N 1.672 116.098 114.554 -0.213 0.000 2.881 72 T HA 0.588 4.939 4.350 0.003 0.000 0.278 72 T C 1.441 176.158 174.700 0.027 0.000 0.982 72 T CA 0.091 62.185 62.100 -0.010 0.000 0.989 72 T CB 1.702 70.639 68.868 0.115 0.000 1.058 72 T HN 0.809 nan 8.240 nan 0.000 0.529 73 A N 1.171 124.041 122.820 0.085 0.000 1.986 73 A HA -0.143 4.179 4.320 0.003 0.000 0.220 73 A C 1.800 179.439 177.584 0.092 0.000 1.171 73 A CA 1.945 54.044 52.037 0.103 0.000 0.640 73 A CB -1.123 17.939 19.000 0.103 0.000 0.811 73 A HN 0.978 nan 8.150 nan 0.000 0.451 74 D N -2.249 118.196 120.400 0.075 0.000 2.336 74 D HA 0.286 4.928 4.640 0.003 0.000 0.229 74 D C 1.127 177.471 176.300 0.072 0.000 1.061 74 D CA 0.864 54.902 54.000 0.063 0.000 0.875 74 D CB -0.690 40.142 40.800 0.054 0.000 0.904 74 D HN 0.838 nan 8.370 nan 0.000 0.525 75 G N -0.617 108.234 108.800 0.085 0.000 2.157 75 G HA2 -0.174 3.788 3.960 0.003 0.000 0.248 75 G HA3 -0.174 3.788 3.960 0.003 0.000 0.248 75 G C 0.483 175.418 174.900 0.057 0.000 0.979 75 G CA 0.096 45.253 45.100 0.095 0.000 0.650 75 G HN 0.836 nan 8.290 nan 0.000 0.529 76 A N -0.023 122.821 122.820 0.041 0.000 2.425 76 A HA 0.612 4.934 4.320 0.003 0.000 0.249 76 A C 0.334 177.919 177.584 0.002 0.000 1.084 76 A CA 0.218 52.276 52.037 0.034 0.000 0.781 76 A CB 0.326 19.355 19.000 0.048 0.000 1.019 76 A HN 0.469 nan 8.150 nan 0.000 0.490 77 E N 1.226 121.428 120.200 0.003 0.000 2.081 77 E HA 0.423 4.774 4.350 0.003 0.000 0.276 77 E C 0.166 176.769 176.600 0.005 0.000 0.950 77 E CA -0.274 56.110 56.400 -0.027 0.000 0.776 77 E CB 1.281 30.967 29.700 -0.024 0.000 1.094 77 E HN 0.801 nan 8.360 nan 0.000 0.402 78 T N -0.456 114.104 114.554 0.011 0.000 2.883 78 T HA 0.310 4.662 4.350 0.003 0.000 0.284 78 T C -0.125 174.594 174.700 0.031 0.000 1.041 78 T CA -1.047 61.079 62.100 0.042 0.000 1.007 78 T CB 1.401 70.301 68.868 0.053 0.000 1.220 78 T HN 0.279 nan 8.240 nan 0.000 0.552 79 D N -0.381 120.032 120.400 0.022 0.000 2.382 79 D HA 0.184 4.826 4.640 0.003 0.000 0.240 79 D C 1.600 177.848 176.300 -0.087 0.000 1.146 79 D CA -0.386 53.614 54.000 -0.000 0.000 0.897 79 D CB 0.586 41.378 40.800 -0.013 0.000 1.197 79 D HN 0.551 nan 8.370 nan 0.000 0.432 80 L N 0.550 121.722 121.223 -0.086 0.000 2.265 80 L HA 0.005 4.346 4.340 0.003 0.000 0.215 80 L C 1.334 178.010 176.870 -0.324 0.000 1.117 80 L CA 1.310 56.055 54.840 -0.157 0.000 0.782 80 L CB -0.711 41.294 42.059 -0.090 0.000 0.914 80 L HN 0.320 nan 8.230 nan 0.000 0.441 81 D N 0.927 121.149 120.400 -0.296 0.000 2.149 81 D HA -0.149 4.493 4.640 0.003 0.000 0.198 81 D C 2.295 178.067 176.300 -0.880 0.000 0.990 81 D CA 1.287 55.009 54.000 -0.463 0.000 0.839 81 D CB -0.022 40.463 40.800 -0.525 0.000 0.948 81 D HN 0.357 nan 8.370 nan 0.000 0.460 82 I N 1.022 121.128 120.570 -0.773 0.000 2.248 82 I HA -0.179 3.992 4.170 0.003 0.000 0.248 82 I C 2.541 178.124 176.117 -0.889 0.000 1.107 82 I CA 1.109 61.990 61.300 -0.697 0.000 1.373 82 I CB -1.614 36.168 38.000 -0.362 0.000 1.055 82 I HN -0.022 nan 8.210 nan 0.000 0.418 83 G N 0.107 108.097 108.800 -1.351 0.000 2.421 83 G HA2 -0.237 3.724 3.960 0.003 0.000 0.216 83 G HA3 -0.237 3.724 3.960 0.003 0.000 0.216 83 G C 1.567 176.181 174.900 -0.477 0.000 1.171 83 G CA 0.516 44.730 45.100 -1.477 0.000 0.775 83 G HN 0.365 nan 8.290 nan 0.000 0.543 84 H N -0.260 118.663 119.070 -0.245 0.000 2.289 84 H HA -0.101 4.456 4.556 0.003 0.000 0.296 84 H C 2.499 177.967 175.328 0.233 0.000 1.091 84 H CA 1.563 57.645 56.048 0.057 0.000 1.274 84 H CB -0.513 29.215 29.762 -0.056 0.000 1.364 84 H HN 0.329 nan 8.280 nan 0.000 0.490 85 Y N 1.423 121.739 120.300 0.027 0.000 2.081 85 Y HA -0.186 4.365 4.550 0.003 0.000 0.280 85 Y C 2.630 178.570 175.900 0.066 0.000 1.163 85 Y CA 0.809 58.917 58.100 0.014 0.000 1.135 85 Y CB -0.883 37.540 38.460 -0.061 0.000 0.970 85 Y HN 0.324 nan 8.280 nan 0.000 0.498 86 E N -0.177 120.116 120.200 0.155 0.000 2.085 86 E HA -0.224 4.128 4.350 0.003 0.000 0.194 86 E C 2.344 179.048 176.600 0.172 0.000 0.994 86 E CA 1.169 57.648 56.400 0.132 0.000 0.801 86 E CB -0.194 29.565 29.700 0.099 0.000 0.743 86 E HN 0.460 nan 8.360 nan 0.000 0.453 87 R N -0.283 120.351 120.500 0.224 0.000 2.081 87 R HA -0.104 4.237 4.340 0.003 0.000 0.235 87 R C 2.172 178.606 176.300 0.223 0.000 1.131 87 R CA 1.204 57.433 56.100 0.216 0.000 0.960 87 R CB -0.226 30.264 30.300 0.316 0.000 0.856 87 R HN 0.143 nan 8.270 nan 0.000 0.436 88 F N 0.365 120.443 119.950 0.213 0.000 2.293 88 F HA 0.009 4.537 4.527 0.002 0.000 0.297 88 F C 1.980 177.905 175.800 0.209 0.000 1.089 88 F CA 0.872 59.025 58.000 0.254 0.000 1.377 88 F CB -0.048 39.010 39.000 0.097 0.000 1.051 88 F HN -0.084 nan 8.300 nan 0.000 0.511 89 L N -0.935 120.458 121.223 0.282 0.000 2.477 89 L HA 0.027 4.368 4.340 0.003 0.000 0.220 89 L C 0.102 177.027 176.870 0.092 0.000 1.106 89 L CA 0.310 55.242 54.840 0.154 0.000 0.851 89 L CB -0.359 41.754 42.059 0.090 0.000 0.994 89 L HN 0.039 nan 8.230 nan 0.000 0.462 90 D N 1.629 122.075 120.400 0.075 0.000 2.828 90 D HA -0.203 4.439 4.640 0.003 0.000 0.241 90 D C -0.296 176.016 176.300 0.020 0.000 1.142 90 D CA 0.853 54.855 54.000 0.003 0.000 0.755 90 D CB -0.522 40.228 40.800 -0.082 0.000 1.014 90 D HN 0.399 nan 8.370 nan 0.000 0.420 91 M N -1.289 118.345 119.600 0.056 0.000 2.562 91 M HA 0.441 4.923 4.480 0.003 0.000 0.281 91 M C -1.643 174.710 176.300 0.090 0.000 1.195 91 M CA -1.069 54.266 55.300 0.058 0.000 0.888 91 M CB 1.628 34.254 32.600 0.043 0.000 1.731 91 M HN -0.273 nan 8.290 nan 0.000 0.493 92 D N 2.910 123.364 120.400 0.091 0.000 2.350 92 D HA 0.626 5.267 4.640 0.003 0.000 0.249 92 D C -0.427 175.938 176.300 0.109 0.000 1.119 92 D CA 0.088 54.160 54.000 0.120 0.000 0.886 92 D CB 1.390 42.255 40.800 0.109 0.000 1.195 92 D HN 0.518 nan 8.370 nan 0.000 0.437 93 L N 0.666 121.971 121.223 0.136 0.000 2.347 93 L HA 0.558 4.899 4.340 0.003 0.000 0.268 93 L C 0.811 177.751 176.870 0.115 0.000 1.019 93 L CA -0.631 54.278 54.840 0.116 0.000 0.806 93 L CB 1.423 43.558 42.059 0.127 0.000 1.339 93 L HN 0.486 nan 8.230 nan 0.000 0.463 94 S N -1.332 114.426 115.700 0.097 0.000 2.840 94 S HA 0.360 4.831 4.470 0.003 0.000 0.307 94 S C 0.496 175.144 174.600 0.079 0.000 1.180 94 S CA -0.798 57.453 58.200 0.086 0.000 0.846 94 S CB 1.632 64.873 63.200 0.069 0.000 1.233 94 S HN 0.625 nan 8.310 nan 0.000 0.548 95 R N 0.119 120.660 120.500 0.069 0.000 2.117 95 R HA -0.073 4.268 4.340 0.003 0.000 0.243 95 R C 1.887 178.226 176.300 0.064 0.000 1.143 95 R CA 2.028 58.166 56.100 0.064 0.000 0.968 95 R CB -1.323 29.012 30.300 0.059 0.000 0.863 95 R HN 0.838 nan 8.270 nan 0.000 0.444 96 G N -0.527 108.312 108.800 0.065 0.000 2.625 96 G HA2 -0.185 3.777 3.960 0.003 0.000 0.214 96 G HA3 -0.185 3.777 3.960 0.003 0.000 0.214 96 G C 0.540 175.481 174.900 0.068 0.000 1.132 96 G CA 0.449 45.589 45.100 0.068 0.000 0.782 96 G HN 0.446 nan 8.290 nan 0.000 0.538 97 N N -0.239 118.502 118.700 0.069 0.000 2.336 97 N HA 0.069 4.810 4.740 0.003 0.000 0.189 97 N C 0.135 175.685 175.510 0.066 0.000 1.113 97 N CA -0.007 53.090 53.050 0.077 0.000 0.858 97 N CB 0.279 38.827 38.487 0.102 0.000 0.970 97 N HN 0.278 nan 8.380 nan 0.000 0.471 98 N N 0.633 119.356 118.700 0.039 0.000 2.576 98 N HA 0.253 4.995 4.740 0.003 0.000 0.269 98 N C -1.576 173.928 175.510 -0.010 0.000 1.058 98 N CA -0.254 52.793 53.050 -0.005 0.000 0.860 98 N CB 0.879 39.363 38.487 -0.005 0.000 1.249 98 N HN -0.020 nan 8.380 nan 0.000 0.525 99 L N 3.150 124.344 121.223 -0.049 0.000 2.282 99 L HA 0.492 4.833 4.340 0.003 0.000 0.288 99 L C 0.236 177.025 176.870 -0.133 0.000 1.033 99 L CA -0.219 54.603 54.840 -0.029 0.000 0.807 99 L CB 1.427 43.489 42.059 0.005 0.000 1.209 99 L HN 0.566 nan 8.230 nan 0.000 0.423 100 T N -1.547 113.001 114.554 -0.010 0.000 2.926 100 T HA 0.276 4.627 4.350 0.003 0.000 0.289 100 T C 0.832 175.690 174.700 0.263 0.000 1.054 100 T CA -0.560 61.523 62.100 -0.029 0.000 1.015 100 T CB 1.736 70.609 68.868 0.010 0.000 1.167 100 T HN 0.459 nan 8.240 nan 0.000 0.526 101 T N 1.016 115.759 114.554 0.313 0.000 2.746 101 T HA 0.045 4.397 4.350 0.003 0.000 0.267 101 T C 2.266 177.159 174.700 0.321 0.000 1.039 101 T CA 1.812 64.173 62.100 0.434 0.000 1.142 101 T CB -1.028 67.995 68.868 0.258 0.000 0.866 101 T HN 0.862 nan 8.240 nan 0.000 0.444 102 G N 0.985 109.918 108.800 0.222 0.000 2.476 102 G HA2 -0.272 3.689 3.960 0.003 0.000 0.218 102 G HA3 -0.272 3.689 3.960 0.003 0.000 0.218 102 G C 1.504 176.525 174.900 0.202 0.000 1.164 102 G CA 0.862 46.073 45.100 0.185 0.000 0.768 102 G HN 0.483 nan 8.290 nan 0.000 0.560 103 Q N -0.378 119.541 119.800 0.197 0.000 2.030 103 Q HA -0.092 4.250 4.340 0.003 0.000 0.204 103 Q C 2.908 179.020 176.000 0.186 0.000 0.986 103 Q CA 1.675 57.580 55.803 0.170 0.000 0.843 103 Q CB -0.364 28.466 28.738 0.154 0.000 0.904 103 Q HN 0.369 nan 8.270 nan 0.000 0.420 104 V N -0.124 119.933 119.914 0.238 0.000 2.261 104 V HA -0.280 3.841 4.120 0.003 0.000 0.246 104 V C 1.866 178.039 176.094 0.132 0.000 1.047 104 V CA 1.898 64.309 62.300 0.187 0.000 1.015 104 V CB -0.654 31.291 31.823 0.203 0.000 0.642 104 V HN 0.358 nan 8.190 nan 0.000 0.446 105 Y N -0.839 119.503 120.300 0.069 0.000 2.242 105 Y HA -0.146 4.405 4.550 0.002 0.000 0.291 105 Y C 2.129 178.065 175.900 0.059 0.000 1.137 105 Y CA 1.353 59.482 58.100 0.048 0.000 1.181 105 Y CB -0.514 37.969 38.460 0.038 0.000 0.989 105 Y HN 0.167 nan 8.280 nan 0.000 0.527 106 L N -0.735 120.616 121.223 0.215 0.000 2.017 106 L HA -0.203 4.138 4.340 0.003 0.000 0.208 106 L C 2.288 179.225 176.870 0.112 0.000 1.073 106 L CA 1.875 56.800 54.840 0.143 0.000 0.745 106 L CB -0.959 41.173 42.059 0.122 0.000 0.894 106 L HN 0.022 nan 8.230 nan 0.000 0.432 107 S N -1.178 114.587 115.700 0.108 0.000 2.356 107 S HA -0.153 4.318 4.470 0.003 0.000 0.223 107 S C 1.974 176.640 174.600 0.109 0.000 1.032 107 S CA 1.414 59.670 58.200 0.093 0.000 1.005 107 S CB -0.492 62.761 63.200 0.089 0.000 0.867 107 S HN 0.335 nan 8.310 nan 0.000 0.449 108 V N 2.029 122.010 119.914 0.112 0.000 2.343 108 V HA -0.151 3.970 4.120 0.003 0.000 0.247 108 V C 2.062 178.256 176.094 0.167 0.000 1.051 108 V CA 1.477 63.877 62.300 0.166 0.000 1.036 108 V CB -0.635 31.198 31.823 0.015 0.000 0.654 108 V HN 0.435 nan 8.190 nan 0.000 0.451 109 I N -0.445 120.185 120.570 0.099 0.000 2.202 109 I HA -0.281 3.891 4.170 0.003 0.000 0.242 109 I C 2.689 178.862 176.117 0.093 0.000 1.091 109 I CA 1.549 62.901 61.300 0.087 0.000 1.368 109 I CB -0.379 37.675 38.000 0.090 0.000 1.058 109 I HN 0.353 nan 8.210 nan 0.000 0.410 110 Q N 0.841 120.693 119.800 0.086 0.000 2.124 110 Q HA -0.240 4.102 4.340 0.003 0.000 0.202 110 Q C 2.590 178.626 176.000 0.059 0.000 0.977 110 Q CA 2.136 57.977 55.803 0.063 0.000 0.850 110 Q CB -0.330 28.441 28.738 0.054 0.000 0.901 110 Q HN 0.570 nan 8.270 nan 0.000 0.429 111 K N 1.541 121.989 120.400 0.080 0.000 2.097 111 K HA -0.203 4.119 4.320 0.003 0.000 0.205 111 K C 1.620 178.260 176.600 0.067 0.000 1.050 111 K CA 1.780 58.079 56.287 0.020 0.000 0.938 111 K CB -0.677 31.798 32.500 -0.042 0.000 0.718 111 K HN 0.530 nan 8.250 nan 0.000 0.442 112 E N -0.067 120.279 120.200 0.242 0.000 2.285 112 E HA -0.069 4.282 4.350 0.003 0.000 0.194 112 E C 1.959 178.620 176.600 0.100 0.000 0.997 112 E CA 0.460 57.013 56.400 0.254 0.000 0.845 112 E CB 0.220 30.043 29.700 0.204 0.000 0.782 112 E HN 0.305 nan 8.360 nan 0.000 0.491 113 R N 0.813 121.354 120.500 0.069 0.000 2.148 113 R HA 0.133 4.475 4.340 0.003 0.000 0.223 113 R C 1.789 178.104 176.300 0.026 0.000 1.088 113 R CA 0.947 57.070 56.100 0.040 0.000 0.985 113 R CB -0.432 29.889 30.300 0.035 0.000 0.880 113 R HN 0.279 nan 8.270 nan 0.000 0.451 114 R N -0.280 120.231 120.500 0.020 0.000 2.313 114 R HA 0.078 4.419 4.340 0.003 0.000 0.199 114 R C 0.739 177.035 176.300 -0.006 0.000 0.958 114 R CA 0.625 56.726 56.100 0.001 0.000 1.047 114 R CB 0.155 30.447 30.300 -0.014 0.000 0.955 114 R HN 0.352 nan 8.270 nan 0.000 0.481 115 G N 1.495 110.301 108.800 0.010 0.000 2.155 115 G HA2 -0.329 3.632 3.960 0.003 0.000 0.257 115 G HA3 -0.329 3.632 3.960 0.003 0.000 0.257 115 G C 0.490 175.380 174.900 -0.016 0.000 0.983 115 G CA 0.535 45.643 45.100 0.012 0.000 0.676 115 G HN 0.438 nan 8.290 nan 0.000 0.528 116 E N -1.137 119.015 120.200 -0.079 0.000 2.472 116 E HA 0.059 4.411 4.350 0.003 0.000 0.200 116 E C 1.265 177.704 176.600 -0.269 0.000 1.046 116 E CA 0.420 56.712 56.400 -0.180 0.000 0.871 116 E CB -0.101 29.447 29.700 -0.253 0.000 0.806 116 E HN 0.784 nan 8.360 nan 0.000 0.533 117 Y N -0.496 119.793 120.300 -0.018 0.000 2.461 117 Y HA 0.096 4.647 4.550 0.003 0.000 0.277 117 Y C -0.108 175.783 175.900 -0.015 0.000 1.182 117 Y CA -0.449 57.638 58.100 -0.021 0.000 1.276 117 Y CB 0.499 38.910 38.460 -0.082 0.000 1.087 117 Y HN -0.090 nan 8.280 nan 0.000 0.519 118 L N -0.019 121.250 121.223 0.077 0.000 3.601 118 L HA -0.368 3.973 4.340 0.003 0.000 0.469 118 L C 0.808 177.709 176.870 0.051 0.000 1.294 118 L CA 1.029 55.900 54.840 0.051 0.000 0.829 118 L CB -2.666 39.420 42.059 0.044 0.000 1.628 118 L HN 0.366 nan 8.230 nan 0.000 0.868 119 S N -3.004 112.724 115.700 0.047 0.000 2.981 119 S HA -0.260 4.212 4.470 0.003 0.000 0.274 119 S C 0.757 175.366 174.600 0.016 0.000 1.297 119 S CA 1.590 59.806 58.200 0.027 0.000 1.266 119 S CB -0.980 62.230 63.200 0.018 0.000 1.542 119 S HN 0.967 nan 8.310 nan 0.000 0.674 120 Q N 0.497 120.312 119.800 0.024 0.000 2.256 120 Q HA 0.567 4.909 4.340 0.003 0.000 0.232 120 Q C -0.470 175.482 176.000 -0.080 0.000 0.965 120 Q CA -0.456 55.344 55.803 -0.005 0.000 0.908 120 Q CB 0.473 29.232 28.738 0.035 0.000 1.209 120 Q HN 0.180 nan 8.270 nan 0.000 0.489 121 T N 1.653 116.155 114.554 -0.085 0.000 2.779 121 T HA 0.248 4.600 4.350 0.003 0.000 0.296 121 T C -0.226 174.304 174.700 -0.283 0.000 0.938 121 T CA -0.473 61.548 62.100 -0.132 0.000 1.119 121 T CB 0.456 69.282 68.868 -0.069 0.000 0.891 121 T HN 0.378 nan 8.240 nan 0.000 0.526 122 V N 5.178 124.830 119.914 -0.436 0.000 2.465 122 V HA 0.369 4.490 4.120 0.003 0.000 0.279 122 V C 0.204 176.080 176.094 -0.364 0.000 1.045 122 V CA -0.470 61.336 62.300 -0.824 0.000 0.938 122 V CB 1.241 32.541 31.823 -0.871 0.000 0.986 122 V HN 0.836 nan 8.190 nan 0.000 0.467 123 Q N 2.062 121.801 119.800 -0.102 0.000 2.495 123 Q HA 0.436 4.778 4.340 0.003 0.000 0.287 123 Q C 0.631 176.619 176.000 -0.019 0.000 1.078 123 Q CA -0.905 54.892 55.803 -0.010 0.000 0.793 123 Q CB 2.435 31.190 28.738 0.027 0.000 1.459 123 Q HN 0.356 nan 8.270 nan 0.000 0.422 124 V N 0.568 120.439 119.914 -0.071 0.000 2.278 124 V HA -0.212 3.910 4.120 0.003 0.000 0.251 124 V C 0.761 176.786 176.094 -0.116 0.000 1.062 124 V CA 1.801 64.026 62.300 -0.125 0.000 1.038 124 V CB -0.238 31.551 31.823 -0.057 0.000 0.646 124 V HN 0.539 nan 8.190 nan 0.000 0.447 125 I N 1.175 121.697 120.570 -0.080 0.000 2.378 125 I HA 0.270 4.442 4.170 0.003 0.000 0.291 125 I C -1.632 174.420 176.117 -0.109 0.000 0.992 125 I CA -1.546 59.692 61.300 -0.104 0.000 1.154 125 I CB 2.301 40.250 38.000 -0.086 0.000 1.315 125 I HN 0.094 nan 8.210 nan 0.000 0.448 126 P HA 0.101 nan 4.420 nan 0.000 0.264 126 P C 0.811 177.902 177.300 -0.349 0.000 1.259 126 P CA 0.675 63.598 63.100 -0.295 0.000 0.841 126 P CB 0.285 31.791 31.700 -0.322 0.000 1.232 127 H N 0.191 119.164 119.070 -0.162 0.000 2.293 127 H HA -0.043 4.515 4.556 0.003 0.000 0.300 127 H C 2.066 177.285 175.328 -0.180 0.000 1.082 127 H CA 1.253 57.186 56.048 -0.191 0.000 1.308 127 H CB -0.609 28.921 29.762 -0.388 0.000 1.375 127 H HN -0.008 nan 8.280 nan 0.000 0.495 128 I N 0.980 121.460 120.570 -0.149 0.000 2.252 128 I HA -0.211 3.961 4.170 0.003 0.000 0.245 128 I C 2.434 178.434 176.117 -0.195 0.000 1.102 128 I CA 1.815 62.950 61.300 -0.274 0.000 1.385 128 I CB -1.312 36.382 38.000 -0.510 0.000 1.064 128 I HN 0.468 nan 8.210 nan 0.000 0.414 129 T N -1.625 112.828 114.554 -0.167 0.000 2.833 129 T HA -0.154 4.198 4.350 0.003 0.000 0.269 129 T C 1.563 176.224 174.700 -0.064 0.000 1.054 129 T CA 1.224 63.253 62.100 -0.118 0.000 1.135 129 T CB -0.342 68.461 68.868 -0.107 0.000 0.869 129 T HN 0.166 nan 8.240 nan 0.000 0.466 130 D N 1.267 121.622 120.400 -0.075 0.000 2.117 130 D HA -0.062 4.579 4.640 0.003 0.000 0.197 130 D C 2.180 178.488 176.300 0.013 0.000 0.987 130 D CA 1.353 55.328 54.000 -0.041 0.000 0.829 130 D CB -0.431 40.343 40.800 -0.043 0.000 0.961 130 D HN 0.497 nan 8.370 nan 0.000 0.460 131 E N 0.789 121.004 120.200 0.025 0.000 2.058 131 E HA -0.151 4.201 4.350 0.003 0.000 0.194 131 E C 2.142 178.796 176.600 0.090 0.000 0.997 131 E CA 0.917 57.353 56.400 0.060 0.000 0.801 131 E CB -0.412 29.316 29.700 0.046 0.000 0.746 131 E HN 0.298 nan 8.360 nan 0.000 0.450 132 I N 0.226 120.846 120.570 0.084 0.000 2.127 132 I HA -0.314 3.857 4.170 0.003 0.000 0.241 132 I C 2.386 178.644 176.117 0.235 0.000 1.075 132 I CA 1.609 63.018 61.300 0.181 0.000 1.334 132 I CB -0.272 37.824 38.000 0.160 0.000 1.040 132 I HN 0.074 nan 8.210 nan 0.000 0.405 133 K N 0.587 121.113 120.400 0.210 0.000 2.057 133 K HA -0.199 4.122 4.320 0.003 0.000 0.207 133 K C 2.042 178.774 176.600 0.220 0.000 1.049 133 K CA 1.526 57.985 56.287 0.288 0.000 0.931 133 K CB -0.153 32.354 32.500 0.011 0.000 0.714 133 K HN 0.326 nan 8.250 nan 0.000 0.440 134 E N 0.315 120.587 120.200 0.121 0.000 2.077 134 E HA -0.178 4.174 4.350 0.003 0.000 0.193 134 E C 2.090 178.773 176.600 0.139 0.000 0.989 134 E CA 1.119 57.581 56.400 0.104 0.000 0.800 134 E CB 0.042 29.784 29.700 0.069 0.000 0.746 134 E HN 0.201 nan 8.360 nan 0.000 0.452 135 R N 0.279 120.871 120.500 0.152 0.000 2.092 135 R HA -0.061 4.281 4.340 0.003 0.000 0.231 135 R C 2.377 178.782 176.300 0.174 0.000 1.119 135 R CA 0.951 57.140 56.100 0.148 0.000 0.970 135 R CB -0.206 30.183 30.300 0.149 0.000 0.864 135 R HN 0.184 nan 8.270 nan 0.000 0.440 136 I N 0.445 121.155 120.570 0.233 0.000 2.163 136 I HA -0.312 3.860 4.170 0.003 0.000 0.243 136 I C 2.387 178.678 176.117 0.291 0.000 1.085 136 I CA 1.500 62.956 61.300 0.260 0.000 1.347 136 I CB -0.205 37.996 38.000 0.334 0.000 1.044 136 I HN 0.154 nan 8.210 nan 0.000 0.408 137 R N 0.529 121.229 120.500 0.334 0.000 2.073 137 R HA -0.164 4.177 4.340 0.003 0.000 0.229 137 R C 2.337 178.746 176.300 0.182 0.000 1.120 137 R CA 1.116 57.399 56.100 0.306 0.000 0.967 137 R CB -0.301 30.154 30.300 0.258 0.000 0.862 137 R HN 0.301 nan 8.270 nan 0.000 0.436 138 K N 0.932 121.417 120.400 0.143 0.000 2.009 138 K HA -0.160 4.161 4.320 0.003 0.000 0.210 138 K C 2.021 178.673 176.600 0.086 0.000 1.049 138 K CA 1.657 58.003 56.287 0.099 0.000 0.929 138 K CB -0.291 32.261 32.500 0.087 0.000 0.714 138 K HN 0.061 nan 8.250 nan 0.000 0.440 139 V N 0.937 120.906 119.914 0.092 0.000 2.427 139 V HA -0.168 3.954 4.120 0.003 0.000 0.248 139 V C 2.209 178.335 176.094 0.053 0.000 1.051 139 V CA 2.039 64.381 62.300 0.070 0.000 1.048 139 V CB -0.357 31.508 31.823 0.071 0.000 0.666 139 V HN 0.512 nan 8.190 nan 0.000 0.456 140 A N -0.971 121.887 122.820 0.062 0.000 1.930 140 A HA -0.165 4.157 4.320 0.003 0.000 0.217 140 A C 2.195 179.789 177.584 0.017 0.000 1.175 140 A CA 1.632 53.679 52.037 0.016 0.000 0.627 140 A CB -0.496 18.509 19.000 0.007 0.000 0.815 140 A HN 0.563 nan 8.150 nan 0.000 0.443 141 E N 0.298 120.528 120.200 0.049 0.000 2.028 141 E HA -0.174 4.178 4.350 0.003 0.000 0.191 141 E C 1.940 178.557 176.600 0.028 0.000 0.988 141 E CA 1.448 57.872 56.400 0.041 0.000 0.799 141 E CB -0.402 29.331 29.700 0.055 0.000 0.755 141 E HN 0.764 nan 8.360 nan 0.000 0.447 142 E N 0.404 120.624 120.200 0.034 0.000 2.171 142 E HA -0.215 4.137 4.350 0.003 0.000 0.197 142 E C 1.735 178.347 176.600 0.021 0.000 0.997 142 E CA 0.980 57.397 56.400 0.028 0.000 0.810 142 E CB -0.115 29.605 29.700 0.034 0.000 0.738 142 E HN 0.315 nan 8.360 nan 0.000 0.467 143 Q N 0.194 120.003 119.800 0.016 0.000 2.246 143 Q HA 0.089 4.431 4.340 0.003 0.000 0.202 143 Q C -0.520 175.479 176.000 -0.002 0.000 0.883 143 Q CA -0.116 55.692 55.803 0.009 0.000 0.952 143 Q CB 0.269 29.011 28.738 0.006 0.000 1.078 143 Q HN 0.090 nan 8.270 nan 0.000 0.493 144 K N 0.214 120.613 120.400 -0.001 0.000 3.177 144 K HA -0.213 4.109 4.320 0.003 0.000 0.266 144 K C -0.476 176.111 176.600 -0.021 0.000 0.937 144 K CA 0.269 56.553 56.287 -0.006 0.000 0.702 144 K CB -1.623 30.877 32.500 0.001 0.000 1.365 144 K HN 0.318 nan 8.250 nan 0.000 0.466 145 A N 0.911 123.704 122.820 -0.045 0.000 2.388 145 A HA 0.161 4.483 4.320 0.003 0.000 0.257 145 A C 1.070 178.593 177.584 -0.102 0.000 1.095 145 A CA -0.342 51.646 52.037 -0.082 0.000 0.791 145 A CB 0.362 19.284 19.000 -0.130 0.000 1.029 145 A HN 0.424 nan 8.150 nan 0.000 0.489 146 E N 1.331 121.479 120.200 -0.087 0.000 2.166 146 E HA 0.171 4.522 4.350 0.003 0.000 0.192 146 E C -0.342 176.134 176.600 -0.206 0.000 0.967 146 E CA 0.665 57.016 56.400 -0.081 0.000 0.840 146 E CB 0.243 29.971 29.700 0.047 0.000 0.795 146 E HN 0.703 nan 8.360 nan 0.000 0.470 147 I N 1.478 121.896 120.570 -0.253 0.000 2.533 147 I HA 0.259 4.430 4.170 0.003 0.000 0.290 147 I C -1.124 174.770 176.117 -0.373 0.000 1.056 147 I CA -1.006 60.073 61.300 -0.367 0.000 1.057 147 I CB 2.800 40.555 38.000 -0.409 0.000 1.240 147 I HN -0.175 nan 8.210 nan 0.000 0.423 148 V N 7.724 127.337 119.914 -0.502 0.000 2.487 148 V HA 0.535 4.657 4.120 0.003 0.000 0.298 148 V C -0.853 174.962 176.094 -0.466 0.000 1.028 148 V CA -0.327 61.699 62.300 -0.456 0.000 0.860 148 V CB 2.024 33.539 31.823 -0.514 0.000 0.991 148 V HN 0.433 nan 8.190 nan 0.000 0.427 149 V N 7.420 127.100 119.914 -0.389 0.000 2.350 149 V HA 0.467 4.588 4.120 0.003 0.000 0.276 149 V C -0.107 175.776 176.094 -0.352 0.000 1.028 149 V CA -0.423 61.639 62.300 -0.396 0.000 0.860 149 V CB 1.533 33.134 31.823 -0.369 0.000 0.990 149 V HN 0.709 nan 8.190 nan 0.000 0.453 150 V N 4.687 124.398 119.914 -0.338 0.000 2.384 150 V HA 0.411 4.532 4.120 0.003 0.000 0.287 150 V C 0.064 176.118 176.094 -0.067 0.000 1.020 150 V CA -0.598 61.604 62.300 -0.165 0.000 0.850 150 V CB 1.628 33.413 31.823 -0.065 0.000 0.987 150 V HN 0.942 nan 8.190 nan 0.000 0.436 151 E N 3.944 124.121 120.200 -0.038 0.000 2.156 151 E HA 0.491 4.843 4.350 0.003 0.000 0.279 151 E C -1.276 175.328 176.600 0.005 0.000 0.965 151 E CA -0.556 55.846 56.400 0.003 0.000 0.789 151 E CB 1.844 31.573 29.700 0.047 0.000 1.098 151 E HN 0.503 nan 8.360 nan 0.000 0.397 152 V N 4.779 124.707 119.914 0.024 0.000 2.385 152 V HA 0.310 4.431 4.120 0.003 0.000 0.269 152 V C 1.017 177.095 176.094 -0.027 0.000 1.043 152 V CA -0.238 62.057 62.300 -0.009 0.000 0.906 152 V CB 0.935 32.796 31.823 0.063 0.000 0.995 152 V HN 0.802 nan 8.190 nan 0.000 0.467 153 G N 3.256 111.995 108.800 -0.101 0.000 2.683 153 G HA2 0.544 4.506 3.960 0.003 0.000 0.260 153 G HA3 0.544 4.506 3.960 0.003 0.000 0.260 153 G C 0.523 175.402 174.900 -0.035 0.000 1.238 153 G CA 0.431 45.481 45.100 -0.084 0.000 0.934 153 G HN 1.538 nan 8.290 nan 0.000 0.534 154 G N -1.729 107.064 108.800 -0.011 0.000 2.693 154 G HA2 0.166 4.128 3.960 0.003 0.000 0.226 154 G HA3 0.166 4.128 3.960 0.003 0.000 0.226 154 G C -0.194 174.732 174.900 0.043 0.000 1.354 154 G CA 0.165 45.280 45.100 0.025 0.000 0.873 154 G HN 1.420 nan 8.290 nan 0.000 0.562 155 T N -0.150 114.440 114.554 0.060 0.000 2.881 155 T HA 0.533 4.885 4.350 0.003 0.000 0.290 155 T C 0.306 175.065 174.700 0.098 0.000 1.000 155 T CA -0.160 61.987 62.100 0.078 0.000 0.978 155 T CB 2.047 70.953 68.868 0.063 0.000 0.997 155 T HN 1.078 nan 8.240 nan 0.000 0.443 156 V N 3.014 123.011 119.914 0.139 0.000 2.644 156 V HA 0.351 4.472 4.120 0.003 0.000 0.305 156 V C 1.534 177.685 176.094 0.094 0.000 1.053 156 V CA 2.091 64.465 62.300 0.124 0.000 1.186 156 V CB 0.395 32.310 31.823 0.153 0.000 0.895 156 V HN 1.315 nan 8.190 nan 0.000 0.490 157 G N 3.741 112.581 108.800 0.067 0.000 2.231 157 G HA2 -0.156 3.805 3.960 0.003 0.000 0.206 157 G HA3 -0.156 3.805 3.960 0.003 0.000 0.206 157 G C -0.172 174.756 174.900 0.047 0.000 0.996 157 G CA 0.024 45.156 45.100 0.053 0.000 0.645 157 G HN 0.915 nan 8.290 nan 0.000 0.498 158 D N 0.046 120.479 120.400 0.055 0.000 2.387 158 D HA 0.629 5.270 4.640 0.003 0.000 0.255 158 D C 1.570 177.900 176.300 0.050 0.000 1.081 158 D CA -0.885 53.145 54.000 0.049 0.000 0.994 158 D CB 0.733 41.565 40.800 0.053 0.000 1.127 158 D HN 0.078 nan 8.370 nan 0.000 0.513 159 I N -0.050 120.546 120.570 0.043 0.000 2.233 159 I HA -0.190 3.982 4.170 0.003 0.000 0.243 159 I C 2.276 178.427 176.117 0.058 0.000 1.093 159 I CA 1.087 62.411 61.300 0.040 0.000 1.380 159 I CB -0.362 37.653 38.000 0.025 0.000 1.067 159 I HN 0.617 nan 8.210 nan 0.000 0.413 160 E N 1.171 121.412 120.200 0.068 0.000 2.097 160 E HA -0.272 4.080 4.350 0.003 0.000 0.196 160 E C 1.937 178.649 176.600 0.187 0.000 1.000 160 E CA 1.919 58.380 56.400 0.102 0.000 0.804 160 E CB -0.516 29.243 29.700 0.097 0.000 0.740 160 E HN 0.515 nan 8.360 nan 0.000 0.454 161 S N 0.115 115.923 115.700 0.179 0.000 2.562 161 S HA 0.028 4.499 4.470 0.003 0.000 0.221 161 S C 1.806 176.538 174.600 0.221 0.000 0.975 161 S CA -0.011 58.349 58.200 0.266 0.000 0.918 161 S CB -0.052 63.252 63.200 0.173 0.000 0.772 161 S HN 0.069 nan 8.310 nan 0.000 0.531 162 L N 2.599 123.896 121.223 0.123 0.000 2.013 162 L HA 0.052 4.394 4.340 0.003 0.000 0.212 162 L C -0.695 176.189 176.870 0.022 0.000 1.073 162 L CA 1.547 56.425 54.840 0.065 0.000 0.753 162 L CB -1.928 40.154 42.059 0.037 0.000 0.890 162 L HN 0.228 nan 8.230 nan 0.000 0.432 163 P HA -0.147 nan 4.420 nan 0.000 0.218 163 P C 1.623 178.776 177.300 -0.245 0.000 1.149 163 P CA 1.333 64.321 63.100 -0.187 0.000 0.817 163 P CB -0.043 31.484 31.700 -0.289 0.000 0.785 164 F N -1.376 118.608 119.950 0.057 0.000 2.234 164 F HA -0.016 4.512 4.527 0.002 0.000 0.296 164 F C 2.213 178.024 175.800 0.018 0.000 1.089 164 F CA 0.908 58.935 58.000 0.045 0.000 1.343 164 F CB -1.303 37.725 39.000 0.048 0.000 1.040 164 F HN -0.208 nan 8.300 nan 0.000 0.498 165 L N -0.264 121.063 121.223 0.172 0.000 2.046 165 L HA -0.193 4.148 4.340 0.003 0.000 0.208 165 L C 2.548 179.436 176.870 0.031 0.000 1.077 165 L CA 1.509 56.403 54.840 0.089 0.000 0.747 165 L CB -0.579 41.521 42.059 0.069 0.000 0.896 165 L HN 0.080 nan 8.230 nan 0.000 0.432 166 E N 0.764 120.971 120.200 0.012 0.000 2.051 166 E HA -0.219 4.132 4.350 0.003 0.000 0.192 166 E C 2.107 178.704 176.600 -0.005 0.000 0.991 166 E CA 1.696 58.086 56.400 -0.018 0.000 0.799 166 E CB -0.208 29.469 29.700 -0.039 0.000 0.748 166 E HN 0.336 nan 8.360 nan 0.000 0.449 167 A N 1.283 124.110 122.820 0.011 0.000 1.873 167 A HA -0.201 4.121 4.320 0.003 0.000 0.218 167 A C 2.449 180.110 177.584 0.129 0.000 1.193 167 A CA 2.264 54.340 52.037 0.065 0.000 0.629 167 A CB -1.192 17.871 19.000 0.104 0.000 0.826 167 A HN 0.575 nan 8.150 nan 0.000 0.447 168 I N -2.951 117.625 120.570 0.011 0.000 2.546 168 I HA -0.104 4.068 4.170 0.003 0.000 0.255 168 I C 2.320 178.335 176.117 -0.169 0.000 1.163 168 I CA 1.737 62.844 61.300 -0.321 0.000 1.457 168 I CB -0.368 37.150 38.000 -0.805 0.000 1.092 168 I HN 0.306 nan 8.210 nan 0.000 0.434 169 R N 1.379 121.869 120.500 -0.017 0.000 2.081 169 R HA -0.179 4.163 4.340 0.003 0.000 0.235 169 R C 2.238 178.575 176.300 0.061 0.000 1.131 169 R CA 1.928 58.025 56.100 -0.004 0.000 0.960 169 R CB -0.294 29.969 30.300 -0.062 0.000 0.856 169 R HN 0.555 nan 8.270 nan 0.000 0.436 170 Q N -0.674 119.164 119.800 0.064 0.000 2.291 170 Q HA -0.157 4.184 4.340 0.003 0.000 0.206 170 Q C 1.764 177.820 176.000 0.093 0.000 0.976 170 Q CA 1.193 57.032 55.803 0.061 0.000 0.875 170 Q CB -0.076 28.658 28.738 -0.006 0.000 0.927 170 Q HN 0.323 nan 8.270 nan 0.000 0.450 171 F N 0.714 120.653 119.950 -0.017 0.000 2.171 171 F HA -0.206 4.322 4.527 0.002 0.000 0.300 171 F C 2.497 178.347 175.800 0.084 0.000 1.090 171 F CA 1.361 59.354 58.000 -0.012 0.000 1.293 171 F CB -0.105 38.871 39.000 -0.039 0.000 1.013 171 F HN -0.014 nan 8.300 nan 0.000 0.486 172 R N -0.077 120.638 120.500 0.360 0.000 2.094 172 R HA -0.249 4.092 4.340 0.003 0.000 0.239 172 R C 2.153 178.576 176.300 0.204 0.000 1.137 172 R CA 2.000 58.283 56.100 0.306 0.000 0.943 172 R CB -1.132 29.327 30.300 0.264 0.000 0.850 172 R HN 0.270 nan 8.270 nan 0.000 0.433 173 F N 1.200 121.177 119.950 0.046 0.000 2.146 173 F HA -0.115 4.414 4.527 0.002 0.000 0.298 173 F C 1.567 177.356 175.800 -0.018 0.000 1.096 173 F CA 1.820 59.823 58.000 0.005 0.000 1.275 173 F CB -0.306 38.680 39.000 -0.023 0.000 1.008 173 F HN 0.091 nan 8.300 nan 0.000 0.480 174 D N 0.218 120.558 120.400 -0.101 0.000 2.117 174 D HA -0.149 4.493 4.640 0.003 0.000 0.197 174 D C 2.027 178.195 176.300 -0.221 0.000 0.987 174 D CA 1.401 55.256 54.000 -0.242 0.000 0.829 174 D CB -0.317 40.307 40.800 -0.293 0.000 0.961 174 D HN 0.373 nan 8.370 nan 0.000 0.460 175 E N 0.145 120.286 120.200 -0.099 0.000 2.435 175 E HA 0.221 4.573 4.350 0.003 0.000 0.195 175 E C 1.217 177.811 176.600 -0.010 0.000 1.029 175 E CA 0.448 56.845 56.400 -0.004 0.000 0.865 175 E CB 0.171 29.954 29.700 0.138 0.000 0.833 175 E HN 0.232 nan 8.360 nan 0.000 0.510 176 G N 1.083 109.845 108.800 -0.062 0.000 2.733 176 G HA2 -0.141 3.821 3.960 0.003 0.000 0.686 176 G HA3 -0.141 3.821 3.960 0.003 0.000 0.686 176 G C -0.009 174.911 174.900 0.034 0.000 1.373 176 G CA -0.249 44.822 45.100 -0.049 0.000 0.838 176 G HN 0.375 nan 8.290 nan 0.000 0.588 177 E N -0.297 119.925 120.200 0.038 0.000 2.481 177 E HA 0.545 4.896 4.350 0.003 0.000 0.263 177 E C 2.273 178.915 176.600 0.070 0.000 0.992 177 E CA 1.555 57.995 56.400 0.067 0.000 0.938 177 E CB 0.229 29.962 29.700 0.055 0.000 0.933 177 E HN 2.709 nan 8.360 nan 0.000 0.453 178 G N 1.711 110.564 108.800 0.088 0.000 2.179 178 G HA2 -0.356 3.606 3.960 0.003 0.000 0.260 178 G HA3 -0.356 3.606 3.960 0.003 0.000 0.260 178 G C 0.863 175.810 174.900 0.078 0.000 0.977 178 G CA 0.835 45.981 45.100 0.078 0.000 0.641 178 G HN 0.753 nan 8.290 nan 0.000 0.533 179 N N -0.042 118.722 118.700 0.107 0.000 2.205 179 N HA 0.281 5.022 4.740 0.003 0.000 0.201 179 N C 0.423 176.038 175.510 0.175 0.000 1.128 179 N CA 0.715 53.840 53.050 0.125 0.000 0.867 179 N CB 0.744 39.321 38.487 0.150 0.000 0.996 179 N HN 0.590 nan 8.380 nan 0.000 0.503 180 T N -1.401 113.269 114.554 0.193 0.000 2.893 180 T HA 0.593 4.945 4.350 0.003 0.000 0.293 180 T C -1.001 173.812 174.700 0.188 0.000 1.027 180 T CA -0.793 61.437 62.100 0.217 0.000 0.988 180 T CB 2.178 71.292 68.868 0.411 0.000 1.043 180 T HN -0.058 nan 8.240 nan 0.000 0.461 181 L N 2.554 123.798 121.223 0.036 0.000 2.408 181 L HA 0.710 5.052 4.340 0.003 0.000 0.268 181 L C -1.916 174.951 176.870 -0.005 0.000 0.986 181 L CA -1.182 53.712 54.840 0.090 0.000 0.820 181 L CB 1.801 43.852 42.059 -0.013 0.000 1.303 181 L HN 0.810 nan 8.230 nan 0.000 0.411 182 Y N 4.832 125.225 120.300 0.155 0.000 2.350 182 Y HA 0.571 5.123 4.550 0.003 0.000 0.338 182 Y C -0.492 175.481 175.900 0.123 0.000 0.961 182 Y CA -0.550 57.656 58.100 0.175 0.000 1.100 182 Y CB 1.961 40.509 38.460 0.148 0.000 1.179 182 Y HN 0.413 nan 8.280 nan 0.000 0.454 183 L N 3.993 125.348 121.223 0.220 0.000 2.365 183 L HA 0.642 4.984 4.340 0.003 0.000 0.273 183 L C -1.495 175.514 176.870 0.232 0.000 1.000 183 L CA -0.712 54.231 54.840 0.172 0.000 0.819 183 L CB 1.431 43.529 42.059 0.064 0.000 1.284 183 L HN 0.761 nan 8.230 nan 0.000 0.418 184 H N 4.009 123.139 119.070 0.100 0.000 2.609 184 H HA 0.519 5.076 4.556 0.002 0.000 0.344 184 H C -1.590 173.780 175.328 0.070 0.000 1.040 184 H CA -0.438 55.663 56.048 0.088 0.000 1.216 184 H CB 1.880 31.701 29.762 0.099 0.000 1.529 184 H HN 0.569 nan 8.280 nan 0.000 0.519 185 L N 5.130 126.162 121.223 -0.317 0.000 2.282 185 L HA 0.611 4.952 4.340 0.003 0.000 0.288 185 L C -0.544 176.102 176.870 -0.373 0.000 1.033 185 L CA -0.008 54.687 54.840 -0.242 0.000 0.807 185 L CB 1.197 43.175 42.059 -0.135 0.000 1.209 185 L HN 0.910 nan 8.230 nan 0.000 0.423 186 T N 2.177 116.615 114.554 -0.193 0.000 2.883 186 T HA 0.578 4.930 4.350 0.003 0.000 0.296 186 T C -0.865 173.820 174.700 -0.025 0.000 1.117 186 T CA -0.864 61.166 62.100 -0.116 0.000 1.006 186 T CB 1.278 70.124 68.868 -0.036 0.000 1.191 186 T HN 0.608 nan 8.240 nan 0.000 0.508 187 L N 1.826 123.051 121.223 0.005 0.000 2.276 187 L HA 0.708 5.050 4.340 0.003 0.000 0.286 187 L C -0.962 175.947 176.870 0.065 0.000 1.061 187 L CA -0.405 54.455 54.840 0.033 0.000 0.807 187 L CB 1.042 43.118 42.059 0.028 0.000 1.177 187 L HN 0.634 nan 8.230 nan 0.000 0.429 188 V N 7.564 127.537 119.914 0.099 0.000 2.304 188 V HA 0.397 4.519 4.120 0.003 0.000 0.278 188 V C -2.135 174.064 176.094 0.176 0.000 1.018 188 V CA -1.473 60.919 62.300 0.153 0.000 0.814 188 V CB 1.150 33.098 31.823 0.207 0.000 1.021 188 V HN 0.746 nan 8.190 nan 0.000 0.440 189 P HA 0.122 nan 4.420 nan 0.000 0.268 189 P C -1.243 176.114 177.300 0.094 0.000 1.205 189 P CA 0.154 63.305 63.100 0.086 0.000 0.771 189 P CB 0.288 32.009 31.700 0.034 0.000 0.858 190 Y N 3.297 123.523 120.300 -0.123 0.000 2.331 190 Y HA 0.451 5.003 4.550 0.003 0.000 0.334 190 Y C -1.182 174.580 175.900 -0.230 0.000 0.960 190 Y CA -1.223 56.683 58.100 -0.324 0.000 1.130 190 Y CB 0.925 39.094 38.460 -0.485 0.000 1.164 190 Y HN 0.090 nan 8.280 nan 0.000 0.458 191 L N 6.296 127.058 121.223 -0.767 0.000 2.283 191 L HA 0.304 4.646 4.340 0.003 0.000 0.287 191 L C 1.374 177.754 176.870 -0.816 0.000 1.073 191 L CA 0.754 55.251 54.840 -0.572 0.000 0.822 191 L CB 0.637 42.472 42.059 -0.372 0.000 1.186 191 L HN 0.957 nan 8.230 nan 0.000 0.436 192 E N 2.210 122.134 120.200 -0.460 0.000 2.160 192 E HA -0.178 4.174 4.350 0.003 0.000 0.195 192 E C 1.658 178.125 176.600 -0.222 0.000 0.991 192 E CA 2.059 58.296 56.400 -0.272 0.000 0.810 192 E CB -0.645 29.011 29.700 -0.073 0.000 0.742 192 E HN 0.765 nan 8.360 nan 0.000 0.466 193 T N 0.436 114.868 114.554 -0.203 0.000 2.673 193 T HA -0.085 4.267 4.350 0.003 0.000 0.248 193 T C 2.378 176.983 174.700 -0.158 0.000 1.080 193 T CA 1.400 63.418 62.100 -0.137 0.000 1.203 193 T CB -0.471 68.335 68.868 -0.105 0.000 0.893 193 T HN 0.443 nan 8.240 nan 0.000 0.404 194 S N 1.025 116.617 115.700 -0.180 0.000 2.441 194 S HA -0.015 4.456 4.470 0.003 0.000 0.242 194 S C 1.517 176.005 174.600 -0.187 0.000 1.018 194 S CA 1.591 59.697 58.200 -0.157 0.000 0.988 194 S CB -0.915 62.193 63.200 -0.154 0.000 0.778 194 S HN 0.848 nan 8.310 nan 0.000 0.498 195 E N 0.319 120.318 120.200 -0.335 0.000 2.637 195 E HA -0.260 4.091 4.350 0.003 0.000 0.265 195 E C -0.061 176.378 176.600 -0.267 0.000 1.073 195 E CA 1.381 57.585 56.400 -0.326 0.000 0.778 195 E CB -2.649 27.025 29.700 -0.043 0.000 1.362 195 E HN 0.922 nan 8.360 nan 0.000 0.413 196 E N -1.237 118.693 120.200 -0.449 0.000 2.256 196 E HA 0.768 5.120 4.350 0.003 0.000 0.267 196 E C -0.680 175.791 176.600 -0.215 0.000 0.892 196 E CA -1.222 55.083 56.400 -0.158 0.000 0.775 196 E CB 1.486 31.154 29.700 -0.053 0.000 1.207 196 E HN 0.215 nan 8.360 nan 0.000 0.420 197 F N 1.576 121.619 119.950 0.155 0.000 2.410 197 F HA 0.308 4.837 4.527 0.002 0.000 0.349 197 F C 0.342 176.194 175.800 0.088 0.000 1.117 197 F CA -0.942 57.167 58.000 0.181 0.000 1.104 197 F CB 1.266 40.374 39.000 0.180 0.000 1.122 197 F HN 0.113 nan 8.300 nan 0.000 0.483 198 K N 1.998 122.516 120.400 0.198 0.000 2.267 198 K HA 0.216 4.538 4.320 0.003 0.000 0.282 198 K C 0.849 177.527 176.600 0.130 0.000 1.078 198 K CA -0.138 56.217 56.287 0.113 0.000 0.903 198 K CB 0.789 33.313 32.500 0.039 0.000 1.111 198 K HN 0.740 nan 8.250 nan 0.000 0.475 199 T N -1.300 113.335 114.554 0.135 0.000 3.060 199 T HA 0.090 4.442 4.350 0.003 0.000 0.249 199 T C 1.288 176.028 174.700 0.067 0.000 1.079 199 T CA 0.067 62.272 62.100 0.175 0.000 1.013 199 T CB 0.187 69.247 68.868 0.321 0.000 0.975 199 T HN 0.355 nan 8.240 nan 0.000 0.518 200 K N 1.659 122.005 120.400 -0.090 0.000 2.063 200 K HA -0.017 4.304 4.320 0.003 0.000 0.208 200 K C -0.761 175.592 176.600 -0.413 0.000 1.048 200 K CA 1.494 57.576 56.287 -0.342 0.000 0.928 200 K CB -0.951 31.312 32.500 -0.394 0.000 0.713 200 K HN 0.330 nan 8.250 nan 0.000 0.442 201 P HA -0.128 nan 4.420 nan 0.000 0.215 201 P C 1.128 178.434 177.300 0.010 0.000 1.153 201 P CA 1.421 64.464 63.100 -0.095 0.000 0.853 201 P CB 0.024 31.716 31.700 -0.014 0.000 0.788 202 T N -0.815 113.780 114.554 0.068 0.000 2.708 202 T HA -0.226 4.126 4.350 0.003 0.000 0.266 202 T C 1.897 176.731 174.700 0.223 0.000 1.037 202 T CA 1.411 63.612 62.100 0.168 0.000 1.146 202 T CB -0.686 68.308 68.868 0.210 0.000 0.865 202 T HN 0.250 nan 8.240 nan 0.000 0.435 203 Q N -0.318 119.577 119.800 0.157 0.000 2.061 203 Q HA -0.218 4.124 4.340 0.003 0.000 0.204 203 Q C 2.193 178.294 176.000 0.170 0.000 0.984 203 Q CA 1.629 57.482 55.803 0.083 0.000 0.846 203 Q CB -0.078 28.349 28.738 -0.519 0.000 0.902 203 Q HN 0.592 nan 8.270 nan 0.000 0.421 204 H N -0.785 118.283 119.070 -0.003 0.000 2.389 204 H HA -0.044 4.513 4.556 0.003 0.000 0.299 204 H C 2.293 177.648 175.328 0.044 0.000 1.081 204 H CA 1.403 57.454 56.048 0.004 0.000 1.345 204 H CB -0.596 29.166 29.762 -0.001 0.000 1.393 204 H HN 0.215 nan 8.280 nan 0.000 0.520 205 S N -0.105 115.726 115.700 0.217 0.000 2.356 205 S HA -0.109 4.363 4.470 0.003 0.000 0.223 205 S C 2.356 177.038 174.600 0.137 0.000 1.032 205 S CA 1.227 59.549 58.200 0.202 0.000 1.005 205 S CB -0.464 62.910 63.200 0.289 0.000 0.867 205 S HN 0.160 nan 8.310 nan 0.000 0.449 206 V N 2.208 122.216 119.914 0.158 0.000 2.407 206 V HA -0.125 3.997 4.120 0.003 0.000 0.248 206 V C 2.825 178.937 176.094 0.030 0.000 1.055 206 V CA 1.700 64.038 62.300 0.064 0.000 1.049 206 V CB -1.338 30.580 31.823 0.157 0.000 0.662 206 V HN 0.608 nan 8.190 nan 0.000 0.455 207 A N -0.326 122.535 122.820 0.069 0.000 1.933 207 A HA -0.217 4.105 4.320 0.003 0.000 0.218 207 A C 2.402 179.985 177.584 -0.000 0.000 1.175 207 A CA 2.459 54.515 52.037 0.032 0.000 0.628 207 A CB -0.863 18.156 19.000 0.030 0.000 0.814 207 A HN 0.498 nan 8.150 nan 0.000 0.444 208 T N 0.062 114.621 114.554 0.008 0.000 2.777 208 T HA -0.046 4.306 4.350 0.003 0.000 0.266 208 T C 1.832 176.513 174.700 -0.031 0.000 1.040 208 T CA 1.131 63.227 62.100 -0.005 0.000 1.141 208 T CB -0.307 68.574 68.868 0.022 0.000 0.868 208 T HN 0.346 nan 8.240 nan 0.000 0.444 209 L N 0.463 121.646 121.223 -0.066 0.000 2.046 209 L HA -0.114 4.228 4.340 0.003 0.000 0.208 209 L C 2.836 179.651 176.870 -0.092 0.000 1.077 209 L CA 1.536 56.305 54.840 -0.118 0.000 0.747 209 L CB -0.258 41.641 42.059 -0.267 0.000 0.896 209 L HN 0.185 nan 8.230 nan 0.000 0.432 210 R N -0.672 119.785 120.500 -0.072 0.000 2.096 210 R HA -0.135 4.206 4.340 0.003 0.000 0.235 210 R C 2.180 178.447 176.300 -0.054 0.000 1.127 210 R CA 1.294 57.357 56.100 -0.061 0.000 0.968 210 R CB -0.500 29.780 30.300 -0.034 0.000 0.861 210 R HN 0.483 nan 8.270 nan 0.000 0.440 211 G N -0.218 108.556 108.800 -0.043 0.000 2.432 211 G HA2 -0.208 3.754 3.960 0.003 0.000 0.219 211 G HA3 -0.208 3.754 3.960 0.003 0.000 0.219 211 G C 1.255 176.130 174.900 -0.042 0.000 1.135 211 G CA 1.041 46.118 45.100 -0.039 0.000 0.767 211 G HN 0.362 nan 8.290 nan 0.000 0.550 212 V N -2.537 117.350 119.914 -0.045 0.000 3.461 212 V HA 0.534 4.656 4.120 0.003 0.000 0.267 212 V C 1.628 177.687 176.094 -0.058 0.000 1.186 212 V CA 0.928 63.202 62.300 -0.043 0.000 1.154 212 V CB -0.356 31.448 31.823 -0.030 0.000 0.802 212 V HN 1.118 nan 8.190 nan 0.000 0.474 213 G N 0.315 109.071 108.800 -0.073 0.000 2.154 213 G HA2 -0.137 3.825 3.960 0.003 0.000 0.186 213 G HA3 -0.137 3.825 3.960 0.003 0.000 0.186 213 G C -0.233 174.585 174.900 -0.136 0.000 1.000 213 G CA -0.011 45.034 45.100 -0.092 0.000 0.664 213 G HN 0.549 nan 8.290 nan 0.000 0.513 214 I N 0.868 121.349 120.570 -0.148 0.000 2.406 214 I HA 0.475 4.647 4.170 0.003 0.000 0.290 214 I C -0.018 175.987 176.117 -0.188 0.000 0.999 214 I CA -0.993 60.167 61.300 -0.232 0.000 1.124 214 I CB 1.942 39.821 38.000 -0.201 0.000 1.289 214 I HN 0.066 nan 8.210 nan 0.000 0.441 215 Q N 9.563 129.233 119.800 -0.217 0.000 2.372 215 Q HA 0.426 4.768 4.340 0.003 0.000 0.259 215 Q C -2.507 173.455 176.000 -0.063 0.000 0.993 215 Q CA -2.002 53.735 55.803 -0.109 0.000 0.854 215 Q CB 1.297 29.989 28.738 -0.076 0.000 1.231 215 Q HN 0.239 nan 8.270 nan 0.000 0.462 216 P HA 0.073 nan 4.420 nan 0.000 0.271 216 P C -0.690 176.694 177.300 0.139 0.000 1.218 216 P CA 0.084 63.257 63.100 0.121 0.000 0.780 216 P CB 1.157 32.941 31.700 0.139 0.000 0.901 217 D N 1.266 121.784 120.400 0.197 0.000 2.338 217 D HA 0.173 4.814 4.640 0.003 0.000 0.208 217 D C 0.747 177.172 176.300 0.209 0.000 0.997 217 D CA 0.886 55.009 54.000 0.205 0.000 0.880 217 D CB 0.697 41.625 40.800 0.214 0.000 0.980 217 D HN 0.354 nan 8.370 nan 0.000 0.509 218 I N 1.065 121.735 120.570 0.166 0.000 2.686 218 I HA 0.299 4.470 4.170 0.003 0.000 0.295 218 I C -0.983 175.237 176.117 0.171 0.000 1.114 218 I CA -0.647 60.748 61.300 0.158 0.000 1.038 218 I CB 2.974 41.036 38.000 0.103 0.000 1.238 218 I HN -0.323 nan 8.210 nan 0.000 0.420 219 L N 5.547 126.868 121.223 0.163 0.000 2.381 219 L HA 0.704 5.045 4.340 0.003 0.000 0.268 219 L C -1.141 175.816 176.870 0.145 0.000 0.997 219 L CA -1.024 53.898 54.840 0.137 0.000 0.818 219 L CB 2.427 44.539 42.059 0.088 0.000 1.310 219 L HN 0.205 nan 8.230 nan 0.000 0.416 220 V N 3.806 123.779 119.914 0.097 0.000 2.483 220 V HA 0.404 4.526 4.120 0.003 0.000 0.297 220 V C -0.254 175.858 176.094 0.031 0.000 1.027 220 V CA -0.442 61.910 62.300 0.088 0.000 0.855 220 V CB 1.975 33.827 31.823 0.049 0.000 0.995 220 V HN 0.489 nan 8.190 nan 0.000 0.424 221 L N 4.629 125.871 121.223 0.033 0.000 2.255 221 L HA 0.598 4.939 4.340 0.003 0.000 0.289 221 L C 0.236 177.122 176.870 0.026 0.000 1.046 221 L CA -0.531 54.322 54.840 0.022 0.000 0.816 221 L CB 1.010 43.076 42.059 0.011 0.000 1.197 221 L HN 0.550 nan 8.230 nan 0.000 0.427 222 R N 2.641 123.153 120.500 0.021 0.000 2.298 222 R HA 0.553 4.895 4.340 0.003 0.000 0.310 222 R C -0.542 175.792 176.300 0.058 0.000 1.068 222 R CA 0.241 56.355 56.100 0.022 0.000 0.957 222 R CB 1.086 31.387 30.300 0.002 0.000 1.003 222 R HN 0.670 nan 8.270 nan 0.000 0.454 223 S N 2.149 117.889 115.700 0.066 0.000 2.587 223 S HA 0.511 4.983 4.470 0.003 0.000 0.269 223 S C 0.436 175.075 174.600 0.065 0.000 1.154 223 S CA -0.120 58.145 58.200 0.107 0.000 0.824 223 S CB 1.070 64.403 63.200 0.222 0.000 1.118 223 S HN 0.689 nan 8.310 nan 0.000 0.462 224 A N 1.782 124.634 122.820 0.053 0.000 1.892 224 A HA 0.258 4.580 4.320 0.003 0.000 0.218 224 A C 1.409 178.978 177.584 -0.024 0.000 1.188 224 A CA 2.325 54.367 52.037 0.009 0.000 0.631 224 A CB -1.107 17.901 19.000 0.014 0.000 0.822 224 A HN 1.410 nan 8.150 nan 0.000 0.447 225 R N -0.383 120.085 120.500 -0.054 0.000 2.919 225 R HA 0.645 4.987 4.340 0.003 0.000 0.260 225 R C -3.041 173.281 176.300 0.036 0.000 1.067 225 R CA -1.645 54.427 56.100 -0.046 0.000 1.003 225 R CB -0.528 29.681 30.300 -0.152 0.000 1.192 225 R HN 0.337 nan 8.270 nan 0.000 0.488 226 P HA 0.132 nan 4.420 nan 0.000 0.267 226 P C -0.486 176.731 177.300 -0.138 0.000 1.200 226 P CA -0.111 62.968 63.100 -0.035 0.000 0.772 226 P CB 0.698 32.377 31.700 -0.034 0.000 0.855 227 V N 5.202 124.965 119.914 -0.252 0.000 2.432 227 V HA 0.159 4.280 4.120 0.003 0.000 0.271 227 V C -1.818 174.008 176.094 -0.447 0.000 1.046 227 V CA -1.614 60.323 62.300 -0.604 0.000 0.945 227 V CB 0.285 31.855 31.823 -0.422 0.000 0.992 227 V HN 0.555 nan 8.190 nan 0.000 0.471 228 P HA -0.006 nan 4.420 nan 0.000 0.266 228 P C 0.998 178.175 177.300 -0.206 0.000 1.193 228 P CA 0.130 63.072 63.100 -0.263 0.000 0.770 228 P CB 0.684 32.259 31.700 -0.208 0.000 0.836 229 E N 2.393 122.513 120.200 -0.132 0.000 2.070 229 E HA -0.314 4.038 4.350 0.003 0.000 0.197 229 E C 2.031 178.564 176.600 -0.112 0.000 1.004 229 E CA 1.979 58.310 56.400 -0.116 0.000 0.805 229 E CB -0.124 29.528 29.700 -0.080 0.000 0.744 229 E HN 0.545 nan 8.360 nan 0.000 0.451 230 E N 0.232 120.380 120.200 -0.088 0.000 2.085 230 E HA -0.160 4.191 4.350 0.003 0.000 0.194 230 E C 2.078 178.630 176.600 -0.079 0.000 0.994 230 E CA 1.605 57.965 56.400 -0.066 0.000 0.801 230 E CB -1.007 28.674 29.700 -0.033 0.000 0.743 230 E HN 0.223 nan 8.360 nan 0.000 0.453 231 V N 1.008 120.857 119.914 -0.108 0.000 2.358 231 V HA -0.234 3.888 4.120 0.003 0.000 0.246 231 V C 2.616 178.621 176.094 -0.149 0.000 1.047 231 V CA 1.949 64.182 62.300 -0.111 0.000 1.035 231 V CB -0.565 31.145 31.823 -0.189 0.000 0.658 231 V HN 0.475 nan 8.190 nan 0.000 0.452 232 R N -0.033 120.357 120.500 -0.185 0.000 2.096 232 R HA -0.183 4.158 4.340 0.003 0.000 0.235 232 R C 2.491 178.665 176.300 -0.210 0.000 1.127 232 R CA 1.693 57.673 56.100 -0.200 0.000 0.968 232 R CB -0.424 29.756 30.300 -0.201 0.000 0.861 232 R HN 0.492 nan 8.270 nan 0.000 0.440 233 R N 1.537 121.934 120.500 -0.171 0.000 2.075 233 R HA -0.150 4.192 4.340 0.003 0.000 0.232 233 R C 2.525 178.713 176.300 -0.187 0.000 1.126 233 R CA 2.078 58.082 56.100 -0.161 0.000 0.963 233 R CB -0.211 30.023 30.300 -0.111 0.000 0.858 233 R HN 0.084 nan 8.270 nan 0.000 0.435 234 K N 0.440 120.743 120.400 -0.162 0.000 2.032 234 K HA -0.067 4.255 4.320 0.003 0.000 0.209 234 K C 2.071 178.360 176.600 -0.518 0.000 1.048 234 K CA 1.881 58.078 56.287 -0.149 0.000 0.927 234 K CB -1.171 31.329 32.500 0.001 0.000 0.712 234 K HN 0.151 nan 8.250 nan 0.000 0.441 235 V N 0.900 120.412 119.914 -0.668 0.000 2.343 235 V HA -0.189 3.933 4.120 0.003 0.000 0.247 235 V C 2.932 178.463 176.094 -0.939 0.000 1.051 235 V CA 1.843 63.380 62.300 -1.272 0.000 1.036 235 V CB -0.856 30.648 31.823 -0.532 0.000 0.654 235 V HN 0.694 nan 8.190 nan 0.000 0.451 236 A N -0.094 122.439 122.820 -0.478 0.000 1.865 236 A HA -0.213 4.109 4.320 0.003 0.000 0.217 236 A C 2.127 179.560 177.584 -0.251 0.000 1.191 236 A CA 2.044 53.906 52.037 -0.293 0.000 0.623 236 A CB -0.670 18.203 19.000 -0.212 0.000 0.826 236 A HN 0.410 nan 8.150 nan 0.000 0.444 237 L N -0.765 120.316 121.223 -0.236 0.000 2.083 237 L HA -0.127 4.214 4.340 0.003 0.000 0.209 237 L C 2.240 179.102 176.870 -0.012 0.000 1.083 237 L CA 1.990 56.767 54.840 -0.105 0.000 0.752 237 L CB -1.047 40.978 42.059 -0.056 0.000 0.899 237 L HN 0.684 nan 8.230 nan 0.000 0.433 238 F N -2.146 117.806 119.950 0.003 0.000 2.789 238 F HA 0.161 4.689 4.527 0.002 0.000 0.300 238 F C 1.911 177.722 175.800 0.019 0.000 1.132 238 F CA 0.642 58.650 58.000 0.013 0.000 1.404 238 F CB -1.957 37.056 39.000 0.020 0.000 1.114 238 F HN 0.074 nan 8.300 nan 0.000 0.584 239 T N -3.821 110.814 114.554 0.136 0.000 3.022 239 T HA 0.226 4.578 4.350 0.003 0.000 0.250 239 T C 0.629 175.373 174.700 0.072 0.000 1.060 239 T CA 0.450 62.645 62.100 0.157 0.000 1.013 239 T CB -0.741 68.175 68.868 0.081 0.000 0.982 239 T HN 0.482 nan 8.240 nan 0.000 0.508 240 N N -0.523 118.195 118.700 0.030 0.000 3.002 240 N HA -0.115 4.627 4.740 0.003 0.000 0.229 240 N C -0.817 174.694 175.510 0.002 0.000 0.927 240 N CA 0.174 53.234 53.050 0.015 0.000 0.980 240 N CB -1.502 37.001 38.487 0.027 0.000 1.077 240 N HN 0.308 nan 8.380 nan 0.000 0.572 241 V N 2.185 122.091 119.914 -0.014 0.000 2.439 241 V HA 0.266 4.387 4.120 0.003 0.000 0.282 241 V C 0.923 176.981 176.094 -0.060 0.000 1.039 241 V CA -0.658 61.640 62.300 -0.003 0.000 0.913 241 V CB 1.304 33.137 31.823 0.017 0.000 0.983 241 V HN 0.181 nan 8.190 nan 0.000 0.460 242 R N 4.743 125.193 120.500 -0.085 0.000 2.623 242 R HA 0.136 4.478 4.340 0.003 0.000 0.271 242 R C -2.083 174.112 176.300 -0.176 0.000 1.043 242 R CA -0.904 55.097 56.100 -0.164 0.000 1.083 242 R CB -0.176 29.954 30.300 -0.282 0.000 0.974 242 R HN 0.351 nan 8.270 nan 0.000 0.436 243 P HA -0.193 nan 4.420 nan 0.000 0.216 243 P C 1.204 178.370 177.300 -0.222 0.000 1.157 243 P CA 2.151 65.142 63.100 -0.183 0.000 0.880 243 P CB -0.139 31.472 31.700 -0.147 0.000 0.791 244 G N -2.226 106.451 108.800 -0.205 0.000 2.625 244 G HA2 -0.195 3.767 3.960 0.003 0.000 0.214 244 G HA3 -0.195 3.767 3.960 0.003 0.000 0.214 244 G C 0.843 175.643 174.900 -0.167 0.000 1.132 244 G CA 0.415 45.410 45.100 -0.175 0.000 0.782 244 G HN 0.459 nan 8.290 nan 0.000 0.538 245 H N -1.177 117.695 119.070 -0.331 0.000 2.505 245 H HA 0.330 4.888 4.556 0.003 0.000 0.286 245 H C -0.448 174.607 175.328 -0.454 0.000 1.072 245 H CA -0.611 55.258 56.048 -0.298 0.000 1.141 245 H CB 1.086 30.831 29.762 -0.029 0.000 1.550 245 H HN 0.081 nan 8.280 nan 0.000 0.547 246 V N 1.952 121.523 119.914 -0.571 0.000 2.384 246 V HA 0.239 4.360 4.120 0.003 0.000 0.287 246 V C -0.588 175.110 176.094 -0.661 0.000 1.020 246 V CA -0.396 61.658 62.300 -0.410 0.000 0.850 246 V CB 0.776 32.441 31.823 -0.263 0.000 0.987 246 V HN 0.163 nan 8.190 nan 0.000 0.436 247 F N 1.156 121.090 119.950 -0.027 0.000 2.618 247 F HA 0.677 5.205 4.527 0.003 0.000 0.332 247 F C 0.642 176.411 175.800 -0.051 0.000 1.061 247 F CA -0.687 57.289 58.000 -0.039 0.000 0.974 247 F CB 2.037 41.014 39.000 -0.038 0.000 1.310 247 F HN 0.319 nan 8.300 nan 0.000 0.491 248 S N -0.117 115.679 115.700 0.159 0.000 2.593 248 S HA 0.539 5.011 4.470 0.003 0.000 0.297 248 S C -0.716 173.913 174.600 0.047 0.000 1.112 248 S CA -0.726 57.508 58.200 0.057 0.000 1.043 248 S CB 1.646 64.851 63.200 0.008 0.000 1.054 248 S HN 0.514 nan 8.310 nan 0.000 0.516 249 S N 3.258 118.970 115.700 0.021 0.000 2.279 249 S HA 0.419 4.890 4.470 0.003 0.000 0.176 249 S C -2.775 171.826 174.600 0.002 0.000 1.554 249 S CA -1.444 56.756 58.200 0.000 0.000 1.242 249 S CB 0.287 63.479 63.200 -0.013 0.000 1.163 249 S HN 0.444 nan 8.310 nan 0.000 0.449 250 P HA 0.238 nan 4.420 nan 0.000 0.276 250 P C -0.024 177.272 177.300 -0.007 0.000 1.252 250 P CA -0.212 62.889 63.100 0.001 0.000 0.802 250 P CB 0.672 32.370 31.700 -0.003 0.000 1.035 251 T N -0.982 113.567 114.554 -0.009 0.000 2.897 251 T HA 0.475 4.827 4.350 0.003 0.000 0.294 251 T C 0.110 174.796 174.700 -0.024 0.000 1.004 251 T CA -0.367 61.723 62.100 -0.016 0.000 1.106 251 T CB -0.090 68.771 68.868 -0.013 0.000 0.949 251 T HN 0.374 nan 8.240 nan 0.000 0.520 252 V N 1.350 121.245 119.914 -0.032 0.000 3.130 252 V HA 0.633 4.755 4.120 0.003 0.000 0.310 252 V C 1.189 177.225 176.094 -0.096 0.000 1.158 252 V CA -0.903 61.368 62.300 -0.049 0.000 1.029 252 V CB 1.450 33.260 31.823 -0.021 0.000 1.057 252 V HN 0.877 nan 8.190 nan 0.000 0.436 253 E N 0.787 120.880 120.200 -0.179 0.000 2.017 253 E HA -0.112 4.239 4.350 0.003 0.000 0.193 253 E C 0.563 176.893 176.600 -0.451 0.000 0.997 253 E CA 1.763 57.937 56.400 -0.378 0.000 0.804 253 E CB -0.112 29.233 29.700 -0.591 0.000 0.757 253 E HN 0.827 nan 8.360 nan 0.000 0.448 254 H N -0.073 118.984 119.070 -0.022 0.000 2.466 254 H HA 0.203 4.760 4.556 0.003 0.000 0.338 254 H C 1.137 176.459 175.328 -0.010 0.000 1.091 254 H CA -0.394 55.623 56.048 -0.052 0.000 1.207 254 H CB 1.507 31.228 29.762 -0.068 0.000 1.466 254 H HN 0.082 nan 8.280 nan 0.000 0.493 255 L N 1.581 122.859 121.223 0.091 0.000 2.079 255 L HA -0.226 4.115 4.340 0.003 0.000 0.210 255 L C 1.792 178.890 176.870 0.380 0.000 1.081 255 L CA 1.533 56.486 54.840 0.188 0.000 0.752 255 L CB -0.401 41.810 42.059 0.253 0.000 0.896 255 L HN 0.664 nan 8.230 nan 0.000 0.433 256 Y N -0.157 120.297 120.300 0.257 0.000 2.569 256 Y HA -0.193 4.358 4.550 0.002 0.000 0.293 256 Y C 2.347 178.318 175.900 0.118 0.000 1.144 256 Y CA -0.029 58.193 58.100 0.203 0.000 1.321 256 Y CB -0.217 38.404 38.460 0.270 0.000 0.982 256 Y HN 0.352 nan 8.280 nan 0.000 0.558 257 E N -0.094 120.260 120.200 0.256 0.000 2.216 257 E HA -0.123 4.229 4.350 0.003 0.000 0.192 257 E C 2.164 178.806 176.600 0.070 0.000 0.988 257 E CA 0.712 57.200 56.400 0.147 0.000 0.834 257 E CB 0.029 29.801 29.700 0.119 0.000 0.772 257 E HN 0.260 nan 8.360 nan 0.000 0.479 258 V N 1.645 121.599 119.914 0.066 0.000 2.252 258 V HA -0.240 3.882 4.120 0.003 0.000 0.249 258 V C -0.762 175.290 176.094 -0.071 0.000 1.056 258 V CA 2.175 64.471 62.300 -0.008 0.000 1.022 258 V CB -1.633 30.175 31.823 -0.024 0.000 0.641 258 V HN 0.200 nan 8.190 nan 0.000 0.445 259 P HA -0.152 nan 4.420 nan 0.000 0.215 259 P C 1.849 179.062 177.300 -0.145 0.000 1.157 259 P CA 1.299 64.267 63.100 -0.220 0.000 0.874 259 P CB -0.099 31.298 31.700 -0.505 0.000 0.790 260 L N -1.088 120.083 121.223 -0.087 0.000 2.012 260 L HA -0.168 4.174 4.340 0.003 0.000 0.210 260 L C 2.333 179.190 176.870 -0.021 0.000 1.073 260 L CA 1.895 56.723 54.840 -0.021 0.000 0.748 260 L CB -2.018 40.063 42.059 0.036 0.000 0.891 260 L HN -0.019 nan 8.230 nan 0.000 0.431 261 L N -3.186 118.025 121.223 -0.019 0.000 2.141 261 L HA -0.108 4.233 4.340 0.003 0.000 0.209 261 L C 2.199 179.043 176.870 -0.042 0.000 1.094 261 L CA 1.529 56.360 54.840 -0.016 0.000 0.763 261 L CB -1.181 40.875 42.059 -0.005 0.000 0.908 261 L HN 0.096 nan 8.230 nan 0.000 0.437 262 L N -0.367 120.804 121.223 -0.087 0.000 2.056 262 L HA -0.123 4.218 4.340 0.003 0.000 0.207 262 L C 2.791 179.553 176.870 -0.180 0.000 1.078 262 L CA 1.434 56.178 54.840 -0.159 0.000 0.749 262 L CB -0.559 41.379 42.059 -0.201 0.000 0.901 262 L HN 0.371 nan 8.230 nan 0.000 0.433 263 E N 0.454 120.578 120.200 -0.126 0.000 2.077 263 E HA -0.262 4.089 4.350 0.003 0.000 0.193 263 E C 2.099 178.668 176.600 -0.052 0.000 0.989 263 E CA 1.244 57.586 56.400 -0.096 0.000 0.800 263 E CB -0.088 29.578 29.700 -0.057 0.000 0.746 263 E HN 0.252 nan 8.360 nan 0.000 0.452 264 E N 0.585 120.770 120.200 -0.025 0.000 2.085 264 E HA -0.251 4.101 4.350 0.003 0.000 0.194 264 E C 1.959 178.576 176.600 0.028 0.000 0.994 264 E CA 1.565 57.969 56.400 0.007 0.000 0.801 264 E CB -0.120 29.588 29.700 0.014 0.000 0.743 264 E HN 0.489 nan 8.360 nan 0.000 0.453 265 Q N -1.241 118.580 119.800 0.034 0.000 2.224 265 Q HA -0.051 4.290 4.340 0.003 0.000 0.203 265 Q C 1.115 177.235 176.000 0.200 0.000 0.970 265 Q CA 1.016 56.897 55.803 0.130 0.000 0.865 265 Q CB 0.152 29.016 28.738 0.210 0.000 0.922 265 Q HN 0.501 nan 8.270 nan 0.000 0.445 266 G N -0.004 108.823 108.800 0.046 0.000 2.148 266 G HA2 -0.197 3.764 3.960 0.003 0.000 0.157 266 G HA3 -0.197 3.764 3.960 0.003 0.000 0.157 266 G C 0.332 175.132 174.900 -0.167 0.000 1.012 266 G CA 0.091 45.231 45.100 0.067 0.000 0.677 266 G HN 0.227 nan 8.290 nan 0.000 0.506 267 L N 1.476 122.324 121.223 -0.625 0.000 2.046 267 L HA 0.284 4.626 4.340 0.003 0.000 0.208 267 L C 2.583 179.224 176.870 -0.382 0.000 1.077 267 L CA 3.484 57.782 54.840 -0.903 0.000 0.747 267 L CB -0.934 40.597 42.059 -0.880 0.000 0.896 267 L HN 0.343 nan 8.230 nan 0.000 0.432 268 G N -0.649 108.007 108.800 -0.240 0.000 2.459 268 G HA2 -0.283 3.678 3.960 0.003 0.000 0.217 268 G HA3 -0.283 3.678 3.960 0.003 0.000 0.217 268 G C 1.738 176.593 174.900 -0.076 0.000 1.183 268 G CA 0.892 45.912 45.100 -0.133 0.000 0.776 268 G HN 0.403 nan 8.290 nan 0.000 0.552 269 R N 0.578 121.057 120.500 -0.036 0.000 2.083 269 R HA -0.040 4.301 4.340 0.003 0.000 0.237 269 R C 3.056 179.377 176.300 0.034 0.000 1.137 269 R CA 1.282 57.393 56.100 0.018 0.000 0.951 269 R CB -0.524 29.805 30.300 0.049 0.000 0.851 269 R HN 0.354 nan 8.270 nan 0.000 0.434 270 A N 0.757 123.605 122.820 0.046 0.000 1.908 270 A HA -0.150 4.172 4.320 0.003 0.000 0.218 270 A C 2.406 179.952 177.584 -0.064 0.000 1.181 270 A CA 1.676 53.751 52.037 0.063 0.000 0.627 270 A CB -0.649 18.430 19.000 0.133 0.000 0.818 270 A HN 0.138 nan 8.150 nan 0.000 0.445 271 V N 0.258 120.104 119.914 -0.114 0.000 2.295 271 V HA -0.289 3.833 4.120 0.003 0.000 0.246 271 V C 2.428 178.470 176.094 -0.086 0.000 1.049 271 V CA 2.339 64.562 62.300 -0.127 0.000 1.024 271 V CB -0.956 30.769 31.823 -0.163 0.000 0.648 271 V HN 0.680 nan 8.190 nan 0.000 0.447 272 E N 0.296 120.464 120.200 -0.054 0.000 2.038 272 E HA -0.271 4.080 4.350 0.003 0.000 0.195 272 E C 2.559 179.163 176.600 0.007 0.000 1.000 272 E CA 1.797 58.184 56.400 -0.022 0.000 0.803 272 E CB -0.398 29.323 29.700 0.034 0.000 0.750 272 E HN 0.649 nan 8.360 nan 0.000 0.448 273 R N 1.272 121.793 120.500 0.034 0.000 2.080 273 R HA -0.023 4.319 4.340 0.003 0.000 0.236 273 R C 2.399 178.738 176.300 0.065 0.000 1.137 273 R CA 1.802 57.940 56.100 0.063 0.000 0.943 273 R CB -1.700 28.660 30.300 0.101 0.000 0.846 273 R HN 0.289 nan 8.270 nan 0.000 0.431 274 A N 0.662 123.521 122.820 0.064 0.000 1.986 274 A HA 0.033 4.354 4.320 0.003 0.000 0.220 274 A C 2.260 179.871 177.584 0.045 0.000 1.171 274 A CA 1.541 53.623 52.037 0.075 0.000 0.640 274 A CB -0.263 18.758 19.000 0.034 0.000 0.811 274 A HN 0.479 nan 8.150 nan 0.000 0.451 275 L N -1.083 120.142 121.223 0.003 0.000 2.592 275 L HA 0.232 4.573 4.340 0.003 0.000 0.227 275 L C 1.431 178.304 176.870 0.006 0.000 1.127 275 L CA 0.304 55.136 54.840 -0.013 0.000 0.884 275 L CB -0.319 41.689 42.059 -0.085 0.000 1.065 275 L HN 0.528 nan 8.230 nan 0.000 0.457 276 G N 1.375 110.191 108.800 0.026 0.000 2.295 276 G HA2 -0.277 3.685 3.960 0.003 0.000 0.287 276 G HA3 -0.277 3.685 3.960 0.003 0.000 0.287 276 G C -0.115 174.807 174.900 0.036 0.000 1.055 276 G CA 0.107 45.228 45.100 0.035 0.000 0.922 276 G HN 0.269 nan 8.290 nan 0.000 0.503 277 L N -0.594 120.653 121.223 0.039 0.000 2.331 277 L HA 0.775 5.117 4.340 0.003 0.000 0.275 277 L C 0.901 177.819 176.870 0.080 0.000 1.022 277 L CA -0.577 54.306 54.840 0.072 0.000 0.812 277 L CB 1.292 43.407 42.059 0.094 0.000 1.257 277 L HN 0.377 nan 8.230 nan 0.000 0.435 278 E N 1.689 121.938 120.200 0.082 0.000 2.376 278 E HA 0.472 4.823 4.350 0.003 0.000 0.266 278 E C 0.285 176.925 176.600 0.067 0.000 1.009 278 E CA -0.083 56.353 56.400 0.060 0.000 0.902 278 E CB 0.705 30.430 29.700 0.041 0.000 0.972 278 E HN 0.737 nan 8.360 nan 0.000 0.439 279 A N 2.059 124.910 122.820 0.052 0.000 2.566 279 A HA 0.431 4.752 4.320 0.003 0.000 0.245 279 A C 0.132 177.738 177.584 0.036 0.000 1.056 279 A CA 0.169 52.236 52.037 0.050 0.000 0.757 279 A CB 0.045 19.068 19.000 0.039 0.000 0.979 279 A HN 0.932 nan 8.150 nan 0.000 0.508 280 V N 4.900 124.840 119.914 0.043 0.000 2.540 280 V HA 0.248 4.370 4.120 0.003 0.000 0.302 280 V C -0.120 175.984 176.094 0.018 0.000 1.035 280 V CA -0.728 61.579 62.300 0.010 0.000 0.873 280 V CB 1.724 33.531 31.823 -0.026 0.000 0.992 280 V HN 0.713 nan 8.190 nan 0.000 0.428 281 I N 7.464 128.038 120.570 0.007 0.000 2.421 281 I HA 0.232 4.403 4.170 0.003 0.000 0.291 281 I C -1.631 174.495 176.117 0.016 0.000 1.089 281 I CA -1.969 59.339 61.300 0.014 0.000 1.354 281 I CB 0.629 38.635 38.000 0.010 0.000 1.413 281 I HN 0.443 nan 8.210 nan 0.000 0.513 282 P HA 0.056 nan 4.420 nan 0.000 0.272 282 P C -0.398 176.931 177.300 0.049 0.000 1.223 282 P CA -0.388 62.738 63.100 0.042 0.000 0.784 282 P CB 1.060 32.791 31.700 0.052 0.000 0.923 283 N N 2.687 121.423 118.700 0.060 0.000 2.546 283 N HA 0.161 4.902 4.740 0.003 0.000 0.238 283 N C 0.017 175.597 175.510 0.117 0.000 0.984 283 N CA -0.332 52.756 53.050 0.064 0.000 0.935 283 N CB -0.122 38.388 38.487 0.039 0.000 1.122 283 N HN 0.321 nan 8.380 nan 0.000 0.510 284 L N 2.358 123.661 121.223 0.134 0.000 2.872 284 L HA 0.108 4.449 4.340 0.003 0.000 0.245 284 L C 1.934 178.905 176.870 0.169 0.000 1.211 284 L CA -0.130 54.849 54.840 0.231 0.000 1.013 284 L CB -0.099 42.085 42.059 0.208 0.000 1.326 284 L HN 0.465 nan 8.230 nan 0.000 0.525 285 S N 0.533 116.288 115.700 0.092 0.000 2.374 285 S HA -0.290 4.182 4.470 0.003 0.000 0.227 285 S C 1.853 176.445 174.600 -0.012 0.000 1.037 285 S CA 1.266 59.489 58.200 0.038 0.000 1.024 285 S CB -0.636 62.580 63.200 0.027 0.000 0.861 285 S HN 0.502 nan 8.310 nan 0.000 0.456 286 F N 1.546 121.394 119.950 -0.171 0.000 2.102 286 F HA 0.028 4.557 4.527 0.003 0.000 0.298 286 F C 1.934 177.521 175.800 -0.355 0.000 1.105 286 F CA 0.968 58.759 58.000 -0.348 0.000 1.239 286 F CB -0.844 37.792 39.000 -0.608 0.000 0.991 286 F HN 0.208 nan 8.300 nan 0.000 0.474 287 W N 0.978 122.049 121.300 -0.380 0.000 2.358 287 W HA -0.151 4.510 4.660 0.002 0.000 0.303 287 W C 2.577 178.920 176.519 -0.294 0.000 1.208 287 W CA 1.360 58.444 57.345 -0.435 0.000 1.274 287 W CB -0.868 28.511 29.460 -0.136 0.000 1.138 287 W HN 0.085 nan 8.180 nan 0.000 0.515 288 Q N 0.049 119.866 119.800 0.029 0.000 2.096 288 Q HA -0.254 4.088 4.340 0.003 0.000 0.204 288 Q C 1.999 177.970 176.000 -0.048 0.000 0.982 288 Q CA 1.771 57.586 55.803 0.019 0.000 0.850 288 Q CB -0.360 28.398 28.738 0.033 0.000 0.901 288 Q HN 0.193 nan 8.270 nan 0.000 0.422 289 E N 0.756 120.874 120.200 -0.137 0.000 2.072 289 E HA -0.087 4.264 4.350 0.003 0.000 0.190 289 E C 1.780 178.273 176.600 -0.178 0.000 0.982 289 E CA 1.248 57.568 56.400 -0.134 0.000 0.803 289 E CB -0.234 29.385 29.700 -0.134 0.000 0.755 289 E HN 0.307 nan 8.360 nan 0.000 0.453 290 A N 0.132 122.730 122.820 -0.371 0.000 1.933 290 A HA -0.124 4.198 4.320 0.003 0.000 0.218 290 A C 2.450 179.980 177.584 -0.090 0.000 1.175 290 A CA 1.658 53.505 52.037 -0.317 0.000 0.628 290 A CB -0.682 17.912 19.000 -0.678 0.000 0.814 290 A HN 0.199 nan 8.150 nan 0.000 0.444 291 V N -0.248 119.646 119.914 -0.034 0.000 2.548 291 V HA -0.187 3.935 4.120 0.003 0.000 0.249 291 V C 3.266 179.359 176.094 -0.001 0.000 1.055 291 V CA 2.190 64.503 62.300 0.022 0.000 1.065 291 V CB -1.364 30.522 31.823 0.105 0.000 0.681 291 V HN 0.725 nan 8.190 nan 0.000 0.462 292 R N -0.117 120.396 120.500 0.022 0.000 2.075 292 R HA -0.114 4.227 4.340 0.003 0.000 0.232 292 R C 2.283 178.640 176.300 0.096 0.000 1.126 292 R CA 1.857 58.019 56.100 0.102 0.000 0.963 292 R CB -1.445 28.898 30.300 0.071 0.000 0.858 292 R HN 0.430 nan 8.270 nan 0.000 0.435 293 V N 1.214 121.133 119.914 0.008 0.000 2.343 293 V HA -0.185 3.937 4.120 0.003 0.000 0.247 293 V C 2.611 178.672 176.094 -0.055 0.000 1.051 293 V CA 1.803 64.101 62.300 -0.004 0.000 1.036 293 V CB -0.464 31.344 31.823 -0.025 0.000 0.654 293 V HN 0.502 nan 8.190 nan 0.000 0.451 294 L N -0.638 120.496 121.223 -0.148 0.000 2.141 294 L HA -0.158 4.184 4.340 0.003 0.000 0.209 294 L C 2.482 179.187 176.870 -0.276 0.000 1.094 294 L CA 1.538 56.183 54.840 -0.326 0.000 0.763 294 L CB -0.451 41.177 42.059 -0.718 0.000 0.908 294 L HN 0.313 nan 8.230 nan 0.000 0.437 295 K N -1.101 119.176 120.400 -0.205 0.000 2.262 295 K HA 0.020 4.342 4.320 0.003 0.000 0.200 295 K C -0.108 176.154 176.600 -0.564 0.000 1.049 295 K CA 0.594 56.698 56.287 -0.305 0.000 0.979 295 K CB 0.256 32.528 32.500 -0.381 0.000 0.773 295 K HN 0.368 nan 8.250 nan 0.000 0.474 296 H N 0.604 119.676 119.070 0.003 0.000 2.380 296 H HA 0.185 4.742 4.556 0.003 0.000 0.231 296 H C -2.588 172.736 175.328 -0.008 0.000 1.415 296 H CA -1.920 54.130 56.048 0.003 0.000 1.433 296 H CB 0.455 30.219 29.762 0.003 0.000 1.544 296 H HN 0.040 nan 8.280 nan 0.000 0.503 297 P HA 0.037 nan 4.420 nan 0.000 0.276 297 P C 0.426 177.748 177.300 0.036 0.000 1.230 297 P CA -0.092 63.025 63.100 0.029 0.000 0.776 297 P CB 1.945 33.648 31.700 0.004 0.000 0.888 298 E N 1.820 122.034 120.200 0.024 0.000 2.153 298 E HA -0.141 4.211 4.350 0.003 0.000 0.194 298 E C 0.328 176.934 176.600 0.010 0.000 0.988 298 E CA 1.202 57.612 56.400 0.017 0.000 0.811 298 E CB 0.145 29.849 29.700 0.007 0.000 0.746 298 E HN 0.492 nan 8.360 nan 0.000 0.466 299 R N -1.444 119.058 120.500 0.004 0.000 2.766 299 R HA 0.383 4.724 4.340 0.003 0.000 0.270 299 R C -1.068 175.229 176.300 -0.005 0.000 1.035 299 R CA -0.542 55.557 56.100 -0.002 0.000 0.911 299 R CB 1.798 32.092 30.300 -0.010 0.000 1.243 299 R HN -0.050 nan 8.270 nan 0.000 0.460 300 T N -1.825 112.724 114.554 -0.008 0.000 2.971 300 T HA 0.649 5.001 4.350 0.003 0.000 0.304 300 T C -0.638 174.052 174.700 -0.016 0.000 1.038 300 T CA -0.760 61.334 62.100 -0.010 0.000 1.007 300 T CB 1.391 70.258 68.868 -0.001 0.000 1.055 300 T HN 0.522 nan 8.240 nan 0.000 0.451 301 V N 0.151 120.048 119.914 -0.029 0.000 3.001 301 V HA 0.838 4.960 4.120 0.003 0.000 0.314 301 V C -0.560 175.509 176.094 -0.042 0.000 1.099 301 V CA -1.234 61.043 62.300 -0.038 0.000 0.989 301 V CB 1.920 33.700 31.823 -0.071 0.000 1.040 301 V HN 1.215 nan 8.190 nan 0.000 0.434 302 K N 2.244 122.622 120.400 -0.037 0.000 2.292 302 K HA 0.798 5.119 4.320 0.003 0.000 0.257 302 K C -1.271 175.293 176.600 -0.061 0.000 0.940 302 K CA -0.744 55.520 56.287 -0.038 0.000 0.811 302 K CB 1.803 34.297 32.500 -0.009 0.000 1.120 302 K HN 0.907 nan 8.250 nan 0.000 0.428 303 I N 0.313 120.842 120.570 -0.068 0.000 2.892 303 I HA 0.707 4.879 4.170 0.003 0.000 0.306 303 I C -1.056 175.027 176.117 -0.057 0.000 1.078 303 I CA -0.846 60.420 61.300 -0.057 0.000 1.032 303 I CB 2.176 40.178 38.000 0.003 0.000 1.229 303 I HN 0.535 nan 8.210 nan 0.000 0.435 304 A N 5.212 128.016 122.820 -0.026 0.000 2.324 304 A HA 0.859 5.181 4.320 0.003 0.000 0.330 304 A C -0.565 176.956 177.584 -0.106 0.000 1.165 304 A CA -0.576 51.445 52.037 -0.026 0.000 0.813 304 A CB 0.590 19.711 19.000 0.201 0.000 1.197 304 A HN 0.734 nan 8.150 nan 0.000 0.484 305 I N 2.346 122.788 120.570 -0.214 0.000 2.359 305 I HA 0.355 4.526 4.170 0.003 0.000 0.284 305 I C 0.580 176.646 176.117 -0.086 0.000 1.018 305 I CA -0.219 60.917 61.300 -0.274 0.000 1.173 305 I CB 1.657 39.314 38.000 -0.571 0.000 1.326 305 I HN 0.704 nan 8.210 nan 0.000 0.462 306 A N 5.894 128.692 122.820 -0.036 0.000 2.923 306 A HA 0.669 4.991 4.320 0.003 0.000 0.306 306 A C 0.448 178.026 177.584 -0.011 0.000 1.542 306 A CA -0.262 51.803 52.037 0.047 0.000 1.225 306 A CB -0.414 18.662 19.000 0.126 0.000 1.147 306 A HN 0.769 nan 8.150 nan 0.000 0.542 307 G N 0.375 109.195 108.800 0.033 0.000 2.568 307 G HA2 0.504 4.466 3.960 0.003 0.000 0.313 307 G HA3 0.504 4.466 3.960 0.003 0.000 0.313 307 G C 0.467 175.382 174.900 0.024 0.000 1.227 307 G CA -0.670 44.459 45.100 0.048 0.000 0.979 307 G HN 0.611 nan 8.290 nan 0.000 0.486 308 K N -1.107 119.197 120.400 -0.161 0.000 2.387 308 K HA 0.204 4.525 4.320 0.003 0.000 0.198 308 K C -0.431 175.878 176.600 -0.485 0.000 1.022 308 K CA 0.249 56.300 56.287 -0.392 0.000 1.128 308 K CB 0.125 32.260 32.500 -0.608 0.000 0.853 308 K HN 0.524 nan 8.250 nan 0.000 0.523 309 Y N 1.141 121.540 120.300 0.166 0.000 2.719 309 Y HA 0.138 4.690 4.550 0.002 0.000 0.251 309 Y C 0.745 176.701 175.900 0.093 0.000 1.159 309 Y CA -1.268 56.865 58.100 0.055 0.000 1.166 309 Y CB 0.470 38.856 38.460 -0.122 0.000 1.219 309 Y HN -0.054 nan 8.280 nan 0.000 0.551 315 A N -0.142 122.618 122.820 -0.100 0.000 2.019 315 A HA -0.103 4.219 4.320 0.003 0.000 0.219 315 A C 0.702 178.146 177.584 -0.234 0.000 1.164 315 A CA 1.152 53.025 52.037 -0.273 0.000 0.644 315 A CB -0.385 18.299 19.000 -0.528 0.000 0.805 315 A HN 0.368 nan 8.150 nan 0.000 0.449 316 Y N -1.219 119.226 120.300 0.242 0.000 2.699 316 Y HA 0.320 4.871 4.550 0.002 0.000 0.282 316 Y C 1.159 177.192 175.900 0.222 0.000 1.058 316 Y CA -1.037 57.234 58.100 0.284 0.000 1.194 316 Y CB -0.107 38.573 38.460 0.367 0.000 1.193 316 Y HN 0.203 nan 8.280 nan 0.000 0.562 317 L N 0.321 121.700 121.223 0.261 0.000 1.978 317 L HA -0.262 4.079 4.340 0.003 0.000 0.218 317 L C 2.110 179.091 176.870 0.185 0.000 1.075 317 L CA 2.195 57.154 54.840 0.198 0.000 0.767 317 L CB -0.850 41.273 42.059 0.106 0.000 0.890 317 L HN 0.213 nan 8.230 nan 0.000 0.434 318 S N -0.761 115.072 115.700 0.223 0.000 2.399 318 S HA -0.159 4.313 4.470 0.003 0.000 0.231 318 S C 1.801 176.446 174.600 0.075 0.000 1.022 318 S CA 1.402 59.739 58.200 0.229 0.000 0.983 318 S CB -0.515 62.987 63.200 0.503 0.000 0.803 318 S HN 0.453 nan 8.310 nan 0.000 0.480 319 L N 1.673 122.967 121.223 0.118 0.000 2.005 319 L HA 0.011 4.353 4.340 0.003 0.000 0.207 319 L C 1.957 178.795 176.870 -0.055 0.000 1.072 319 L CA 1.602 56.457 54.840 0.025 0.000 0.744 319 L CB -0.477 41.705 42.059 0.204 0.000 0.895 319 L HN 0.268 nan 8.230 nan 0.000 0.433 320 L N -0.829 120.439 121.223 0.075 0.000 2.083 320 L HA -0.170 4.172 4.340 0.003 0.000 0.209 320 L C 2.622 179.457 176.870 -0.060 0.000 1.083 320 L CA 0.976 55.847 54.840 0.051 0.000 0.752 320 L CB -0.784 41.384 42.059 0.182 0.000 0.899 320 L HN 0.319 nan 8.230 nan 0.000 0.433 321 E N 0.404 120.552 120.200 -0.086 0.000 2.077 321 E HA -0.193 4.158 4.350 0.003 0.000 0.193 321 E C 2.334 178.436 176.600 -0.831 0.000 0.989 321 E CA 1.387 57.641 56.400 -0.243 0.000 0.800 321 E CB -0.117 29.570 29.700 -0.022 0.000 0.746 321 E HN 0.462 nan 8.360 nan 0.000 0.452 322 A N 1.434 123.850 122.820 -0.674 0.000 1.940 322 A HA -0.159 4.162 4.320 0.003 0.000 0.219 322 A C 2.222 179.498 177.584 -0.513 0.000 1.176 322 A CA 0.974 52.539 52.037 -0.787 0.000 0.631 322 A CB -0.440 17.829 19.000 -1.219 0.000 0.814 322 A HN 0.148 nan 8.150 nan 0.000 0.446 323 L N -0.653 120.387 121.223 -0.304 0.000 2.056 323 L HA -0.118 4.223 4.340 0.003 0.000 0.207 323 L C 2.604 179.457 176.870 -0.028 0.000 1.078 323 L CA 2.051 56.872 54.840 -0.031 0.000 0.749 323 L CB -1.217 40.857 42.059 0.026 0.000 0.901 323 L HN 0.534 nan 8.230 nan 0.000 0.433 324 R N -0.638 119.810 120.500 -0.087 0.000 2.081 324 R HA -0.181 4.161 4.340 0.003 0.000 0.235 324 R C 2.302 178.687 176.300 0.142 0.000 1.131 324 R CA 1.571 57.679 56.100 0.013 0.000 0.960 324 R CB -0.198 30.115 30.300 0.020 0.000 0.856 324 R HN 0.514 nan 8.270 nan 0.000 0.436 325 H N -0.904 118.226 119.070 0.100 0.000 2.353 325 H HA -0.084 4.474 4.556 0.002 0.000 0.300 325 H C 2.081 177.448 175.328 0.066 0.000 1.090 325 H CA 0.864 56.972 56.048 0.100 0.000 1.327 325 H CB -0.008 29.786 29.762 0.053 0.000 1.383 325 H HN 0.382 nan 8.280 nan 0.000 0.508 326 A N 1.036 123.956 122.820 0.167 0.000 1.898 326 A HA -0.087 4.234 4.320 0.003 0.000 0.216 326 A C 2.672 180.305 177.584 0.081 0.000 1.181 326 A CA 1.348 53.459 52.037 0.123 0.000 0.620 326 A CB -1.183 17.912 19.000 0.158 0.000 0.819 326 A HN 0.495 nan 8.150 nan 0.000 0.442 327 G N 0.277 109.120 108.800 0.071 0.000 2.459 327 G HA2 -0.239 3.722 3.960 0.003 0.000 0.217 327 G HA3 -0.239 3.722 3.960 0.003 0.000 0.217 327 G C 1.540 176.462 174.900 0.038 0.000 1.183 327 G CA 1.184 46.306 45.100 0.038 0.000 0.776 327 G HN 0.464 nan 8.290 nan 0.000 0.552 328 I N 0.655 121.264 120.570 0.066 0.000 2.118 328 I HA -0.246 3.926 4.170 0.003 0.000 0.241 328 I C 2.737 178.879 176.117 0.042 0.000 1.070 328 I CA 1.854 63.186 61.300 0.054 0.000 1.327 328 I CB -0.233 37.824 38.000 0.095 0.000 1.034 328 I HN 0.193 nan 8.210 nan 0.000 0.405 329 K N 0.843 121.277 120.400 0.057 0.000 2.152 329 K HA -0.175 4.147 4.320 0.003 0.000 0.206 329 K C 1.545 178.155 176.600 0.016 0.000 1.048 329 K CA 1.435 57.743 56.287 0.036 0.000 0.933 329 K CB -0.022 32.501 32.500 0.038 0.000 0.721 329 K HN 0.322 nan 8.250 nan 0.000 0.447 330 N N 0.239 118.947 118.700 0.013 0.000 2.383 330 N HA -0.050 4.691 4.740 0.003 0.000 0.192 330 N C -0.013 175.493 175.510 -0.005 0.000 1.141 330 N CA 0.878 53.926 53.050 -0.004 0.000 0.851 330 N CB 0.506 38.982 38.487 -0.018 0.000 0.976 330 N HN 0.272 nan 8.380 nan 0.000 0.465 331 R N -0.195 120.306 120.500 0.002 0.000 3.516 331 R HA -0.144 4.197 4.340 0.003 0.000 0.271 331 R C 0.100 176.399 176.300 -0.002 0.000 1.098 331 R CA 1.204 57.304 56.100 0.001 0.000 0.732 331 R CB -2.874 27.425 30.300 -0.000 0.000 1.152 331 R HN 0.444 nan 8.270 nan 0.000 0.455 332 A N -0.466 122.351 122.820 -0.005 0.000 2.475 332 A HA 0.826 5.147 4.320 0.003 0.000 0.301 332 A C -0.015 177.563 177.584 -0.011 0.000 1.059 332 A CA -0.336 51.694 52.037 -0.011 0.000 0.710 332 A CB 1.255 20.241 19.000 -0.023 0.000 1.288 332 A HN 0.803 nan 8.150 nan 0.000 0.408 333 R N 1.270 121.764 120.500 -0.011 0.000 2.265 333 R HA 0.521 4.863 4.340 0.003 0.000 0.314 333 R C -1.309 174.984 176.300 -0.012 0.000 1.053 333 R CA -0.148 55.946 56.100 -0.010 0.000 0.931 333 R CB 0.699 30.997 30.300 -0.003 0.000 1.024 333 R HN 0.459 nan 8.270 nan 0.000 0.457 334 V N 3.527 123.435 119.914 -0.010 0.000 2.333 334 V HA 0.323 4.444 4.120 0.003 0.000 0.274 334 V C 0.300 176.384 176.094 -0.017 0.000 1.028 334 V CA -0.396 61.893 62.300 -0.017 0.000 0.851 334 V CB 0.907 32.727 31.823 -0.005 0.000 1.000 334 V HN 0.918 nan 8.190 nan 0.000 0.456 335 E N 4.183 124.367 120.200 -0.026 0.000 2.227 335 E HA 0.603 4.954 4.350 0.003 0.000 0.282 335 E C -0.634 175.922 176.600 -0.072 0.000 1.015 335 E CA -0.464 55.920 56.400 -0.027 0.000 0.823 335 E CB 1.764 31.458 29.700 -0.011 0.000 1.081 335 E HN 0.539 nan 8.360 nan 0.000 0.396 336 V N 3.470 123.313 119.914 -0.119 0.000 2.383 336 V HA 0.384 4.506 4.120 0.003 0.000 0.275 336 V C 0.297 176.196 176.094 -0.326 0.000 1.036 336 V CA -0.679 61.445 62.300 -0.293 0.000 0.889 336 V CB 1.309 32.833 31.823 -0.500 0.000 0.985 336 V HN 0.776 nan 8.190 nan 0.000 0.459 337 K N 4.937 125.167 120.400 -0.283 0.000 2.281 337 K HA 0.295 4.617 4.320 0.003 0.000 0.272 337 K C -1.190 175.289 176.600 -0.202 0.000 1.048 337 K CA -0.559 55.640 56.287 -0.146 0.000 0.898 337 K CB 0.659 33.144 32.500 -0.025 0.000 1.128 337 K HN 0.631 nan 8.250 nan 0.000 0.460 338 W N 4.245 125.564 121.300 0.032 0.000 2.419 338 W HA 0.211 4.873 4.660 0.002 0.000 0.312 338 W C -0.406 176.118 176.519 0.008 0.000 1.323 338 W CA -0.693 56.666 57.345 0.024 0.000 1.293 338 W CB 0.947 30.430 29.460 0.039 0.000 1.324 338 W HN 0.106 nan 8.180 nan 0.000 0.512 339 V N 3.966 123.997 119.914 0.195 0.000 2.350 339 V HA 0.019 4.141 4.120 0.003 0.000 0.285 339 V C -0.199 175.947 176.094 0.087 0.000 1.014 339 V CA -0.948 61.404 62.300 0.085 0.000 0.831 339 V CB 1.148 32.988 31.823 0.029 0.000 1.000 339 V HN 0.407 nan 8.190 nan 0.000 0.433 340 D N 4.503 124.936 120.400 0.055 0.000 2.389 340 D HA 0.263 4.905 4.640 0.003 0.000 0.263 340 D C 1.269 177.560 176.300 -0.014 0.000 1.255 340 D CA 0.673 54.690 54.000 0.029 0.000 0.914 340 D CB 1.571 42.376 40.800 0.007 0.000 1.116 340 D HN 0.622 nan 8.370 nan 0.000 0.502 341 A N 4.158 126.968 122.820 -0.018 0.000 1.881 341 A HA -0.303 4.019 4.320 0.003 0.000 0.219 341 A C 2.222 179.769 177.584 -0.061 0.000 1.215 341 A CA 2.782 54.793 52.037 -0.043 0.000 0.648 341 A CB -1.561 17.392 19.000 -0.079 0.000 0.832 341 A HN 0.723 nan 8.150 nan 0.000 0.455 342 E N -0.177 119.979 120.200 -0.072 0.000 2.097 342 E HA -0.247 4.105 4.350 0.003 0.000 0.196 342 E C 2.232 178.797 176.600 -0.058 0.000 1.000 342 E CA 2.522 58.880 56.400 -0.069 0.000 0.804 342 E CB -1.485 28.175 29.700 -0.066 0.000 0.740 342 E HN 1.241 nan 8.360 nan 0.000 0.454 343 S N -0.208 115.458 115.700 -0.056 0.000 2.440 343 S HA 0.025 4.497 4.470 0.003 0.000 0.238 343 S C 1.193 175.747 174.600 -0.075 0.000 1.010 343 S CA 0.704 58.868 58.200 -0.060 0.000 0.972 343 S CB -0.380 62.784 63.200 -0.061 0.000 0.774 343 S HN 0.317 nan 8.310 nan 0.000 0.501 348 D N 1.492 121.829 120.400 -0.105 0.000 2.393 348 D HA 0.369 5.011 4.640 0.003 0.000 0.232 348 D C 1.104 177.290 176.300 -0.190 0.000 1.192 348 D CA -0.186 53.754 54.000 -0.100 0.000 0.882 348 D CB 0.526 41.284 40.800 -0.071 0.000 1.038 348 D HN 0.391 nan 8.370 nan 0.000 0.499 349 L N 3.143 124.238 121.223 -0.214 0.000 2.141 349 L HA -0.138 4.203 4.340 0.003 0.000 0.209 349 L C 2.719 179.338 176.870 -0.418 0.000 1.094 349 L CA 1.383 55.954 54.840 -0.449 0.000 0.763 349 L CB -0.611 41.172 42.059 -0.461 0.000 0.908 349 L HN 0.453 nan 8.230 nan 0.000 0.437 350 E N 0.871 121.004 120.200 -0.112 0.000 2.077 350 E HA -0.249 4.103 4.350 0.003 0.000 0.193 350 E C 2.173 178.775 176.600 0.003 0.000 0.989 350 E CA 1.763 58.200 56.400 0.062 0.000 0.800 350 E CB -0.894 28.879 29.700 0.121 0.000 0.746 350 E HN 0.682 nan 8.360 nan 0.000 0.452 351 E N -0.085 120.075 120.200 -0.067 0.000 2.170 351 E HA 0.438 4.790 4.350 0.003 0.000 0.191 351 E C 2.431 178.950 176.600 -0.136 0.000 0.981 351 E CA 1.259 57.620 56.400 -0.066 0.000 0.830 351 E CB -0.643 29.021 29.700 -0.060 0.000 0.775 351 E HN 0.834 nan 8.360 nan 0.000 0.470 352 A N -0.422 122.222 122.820 -0.293 0.000 1.933 352 A HA 0.166 4.487 4.320 0.003 0.000 0.218 352 A C 1.669 178.955 177.584 -0.496 0.000 1.175 352 A CA 1.217 52.964 52.037 -0.483 0.000 0.628 352 A CB -0.405 18.118 19.000 -0.795 0.000 0.814 352 A HN 0.505 nan 8.150 nan 0.000 0.444 353 F N -0.335 119.539 119.950 -0.128 0.000 2.750 353 F HA 0.307 4.835 4.527 0.002 0.000 0.297 353 F C 1.364 177.171 175.800 0.012 0.000 1.138 353 F CA -0.192 57.765 58.000 -0.073 0.000 1.346 353 F CB 0.134 39.063 39.000 -0.119 0.000 0.965 353 F HN 0.214 nan 8.300 nan 0.000 0.514 354 R N 0.721 121.294 120.500 0.123 0.000 2.442 354 R HA 0.405 4.746 4.340 0.003 0.000 0.291 354 R C 0.637 177.003 176.300 0.111 0.000 1.069 354 R CA 0.536 56.706 56.100 0.116 0.000 1.022 354 R CB -1.345 28.992 30.300 0.061 0.000 0.976 354 R HN 0.648 nan 8.270 nan 0.000 0.443 355 D N -0.288 120.187 120.400 0.124 0.000 2.746 355 D HA -0.023 4.619 4.640 0.003 0.000 0.236 355 D C -0.204 176.158 176.300 0.104 0.000 1.129 355 D CA 1.112 55.174 54.000 0.103 0.000 0.691 355 D CB -2.077 38.763 40.800 0.067 0.000 1.077 355 D HN 1.042 nan 8.370 nan 0.000 0.432 356 V N 0.235 120.231 119.914 0.137 0.000 2.483 356 V HA 0.661 4.783 4.120 0.003 0.000 0.297 356 V C 0.947 177.054 176.094 0.023 0.000 1.027 356 V CA 0.160 62.511 62.300 0.084 0.000 0.855 356 V CB 2.011 33.917 31.823 0.138 0.000 0.995 356 V HN 0.450 nan 8.190 nan 0.000 0.424 357 S N 2.891 118.566 115.700 -0.042 0.000 2.557 357 S HA 0.495 4.967 4.470 0.003 0.000 0.223 357 S C 0.525 174.882 174.600 -0.406 0.000 0.969 357 S CA 0.284 58.403 58.200 -0.135 0.000 0.927 357 S CB 0.636 63.904 63.200 0.112 0.000 0.806 357 S HN 1.063 nan 8.310 nan 0.000 0.489 358 G N 0.939 109.541 108.800 -0.330 0.000 2.691 358 G HA2 0.578 4.540 3.960 0.003 0.000 0.298 358 G HA3 0.578 4.540 3.960 0.003 0.000 0.298 358 G C -1.648 173.213 174.900 -0.065 0.000 1.471 358 G CA -0.677 44.232 45.100 -0.318 0.000 0.912 358 G HN 0.211 nan 8.290 nan 0.000 0.553 359 I N 1.763 122.359 120.570 0.044 0.000 2.466 359 I HA 0.471 4.643 4.170 0.003 0.000 0.289 359 I C -0.625 175.366 176.117 -0.210 0.000 1.026 359 I CA -0.769 60.468 61.300 -0.104 0.000 1.078 359 I CB 2.132 39.954 38.000 -0.296 0.000 1.249 359 I HN 0.309 nan 8.210 nan 0.000 0.429 360 L N 7.459 128.492 121.223 -0.317 0.000 2.333 360 L HA 0.623 4.964 4.340 0.003 0.000 0.280 360 L C -1.206 175.380 176.870 -0.473 0.000 1.004 360 L CA -0.661 53.809 54.840 -0.616 0.000 0.820 360 L CB 1.854 43.528 42.059 -0.641 0.000 1.247 360 L HN 0.296 nan 8.230 nan 0.000 0.416 361 V N 7.034 126.614 119.914 -0.558 0.000 2.304 361 V HA 0.394 4.516 4.120 0.003 0.000 0.278 361 V C -1.939 173.980 176.094 -0.292 0.000 1.018 361 V CA -1.271 60.836 62.300 -0.322 0.000 0.814 361 V CB 1.182 32.893 31.823 -0.187 0.000 1.021 361 V HN 0.666 nan 8.190 nan 0.000 0.440 362 P HA 0.262 nan 4.420 nan 0.000 0.289 362 P C 0.324 177.607 177.300 -0.028 0.000 1.299 362 P CA -0.037 62.998 63.100 -0.109 0.000 0.766 362 P CB 1.103 32.722 31.700 -0.135 0.000 1.226 363 G N -2.028 106.827 108.800 0.092 0.000 2.599 363 G HA2 0.541 4.503 3.960 0.003 0.000 0.264 363 G HA3 0.541 4.503 3.960 0.003 0.000 0.264 363 G C -0.167 174.593 174.900 -0.233 0.000 1.200 363 G CA -0.126 44.991 45.100 0.028 0.000 0.896 363 G HN 0.785 nan 8.290 nan 0.000 0.536 364 G N -1.768 106.912 108.800 -0.200 0.000 2.328 364 G HA2 0.499 4.461 3.960 0.003 0.000 0.295 364 G HA3 0.499 4.461 3.960 0.003 0.000 0.295 364 G C -1.792 173.096 174.900 -0.021 0.000 1.413 364 G CA -0.902 44.179 45.100 -0.031 0.000 0.817 364 G HN 0.506 nan 8.290 nan 0.000 0.546 365 F N -0.040 120.130 119.950 0.367 0.000 2.588 365 F HA 0.833 5.361 4.527 0.002 0.000 0.314 365 F C 0.721 176.698 175.800 0.296 0.000 1.069 365 F CA 0.230 58.436 58.000 0.343 0.000 0.931 365 F CB 2.448 41.644 39.000 0.328 0.000 1.260 365 F HN 1.622 nan 8.300 nan 0.000 0.465 366 G N 0.195 109.308 108.800 0.522 0.000 2.692 366 G HA2 -0.055 3.906 3.960 0.003 0.000 0.686 366 G HA3 -0.055 3.906 3.960 0.003 0.000 0.686 366 G C 0.033 175.113 174.900 0.300 0.000 1.243 366 G CA -0.650 44.675 45.100 0.376 0.000 0.782 366 G HN 0.760 nan 8.290 nan 0.000 0.625 367 V N 1.527 121.580 119.914 0.232 0.000 2.515 367 V HA -0.045 4.077 4.120 0.003 0.000 0.250 367 V C 2.041 178.035 176.094 -0.167 0.000 1.058 367 V CA 2.069 64.367 62.300 -0.003 0.000 1.064 367 V CB -0.606 31.268 31.823 0.085 0.000 0.675 367 V HN 0.695 nan 8.190 nan 0.000 0.461 368 R N 0.687 121.142 120.500 -0.075 0.000 2.486 368 R HA 0.129 4.471 4.340 0.003 0.000 0.304 368 R C 1.503 177.691 176.300 -0.186 0.000 0.913 368 R CA 1.032 57.068 56.100 -0.107 0.000 1.124 368 R CB -0.416 29.840 30.300 -0.074 0.000 0.891 368 R HN 0.628 nan 8.270 nan 0.000 0.410 369 G N 3.287 111.985 108.800 -0.171 0.000 2.184 369 G HA2 -0.295 3.667 3.960 0.003 0.000 0.264 369 G HA3 -0.295 3.667 3.960 0.003 0.000 0.264 369 G C 0.915 175.681 174.900 -0.223 0.000 0.975 369 G CA 0.151 45.144 45.100 -0.180 0.000 0.642 369 G HN 0.537 nan 8.290 nan 0.000 0.536 370 I N 1.200 121.571 120.570 -0.332 0.000 2.099 370 I HA -0.104 4.067 4.170 0.003 0.000 0.239 370 I C 2.564 178.529 176.117 -0.254 0.000 1.066 370 I CA 2.076 63.112 61.300 -0.441 0.000 1.324 370 I CB -1.005 36.496 38.000 -0.831 0.000 1.037 370 I HN 0.221 nan 8.210 nan 0.000 0.401 371 E N 0.679 120.765 120.200 -0.190 0.000 2.153 371 E HA -0.141 4.211 4.350 0.003 0.000 0.194 371 E C 2.270 178.827 176.600 -0.072 0.000 0.988 371 E CA 1.208 57.544 56.400 -0.107 0.000 0.811 371 E CB -0.483 29.170 29.700 -0.078 0.000 0.746 371 E HN 0.575 nan 8.360 nan 0.000 0.466 372 G N 1.281 110.032 108.800 -0.082 0.000 2.408 372 G HA2 -0.245 3.716 3.960 0.003 0.000 0.217 372 G HA3 -0.245 3.716 3.960 0.003 0.000 0.217 372 G C 1.635 176.525 174.900 -0.016 0.000 1.150 372 G CA 0.558 45.629 45.100 -0.049 0.000 0.776 372 G HN 0.231 nan 8.290 nan 0.000 0.542 373 K N 0.019 120.392 120.400 -0.044 0.000 2.057 373 K HA 0.021 4.342 4.320 0.003 0.000 0.206 373 K C 2.556 179.176 176.600 0.033 0.000 1.050 373 K CA 0.849 57.134 56.287 -0.004 0.000 0.935 373 K CB -0.294 32.171 32.500 -0.060 0.000 0.715 373 K HN 0.164 nan 8.250 nan 0.000 0.439 374 V N 1.556 121.466 119.914 -0.008 0.000 2.324 374 V HA -0.346 3.776 4.120 0.003 0.000 0.250 374 V C 2.883 179.005 176.094 0.048 0.000 1.060 374 V CA 2.547 64.852 62.300 0.009 0.000 1.042 374 V CB -0.972 30.840 31.823 -0.019 0.000 0.650 374 V HN 0.473 nan 8.190 nan 0.000 0.450 375 R N -0.141 120.393 120.500 0.057 0.000 2.092 375 R HA -0.001 4.340 4.340 0.003 0.000 0.231 375 R C 2.315 178.729 176.300 0.190 0.000 1.119 375 R CA 2.002 58.163 56.100 0.101 0.000 0.970 375 R CB -1.456 28.887 30.300 0.072 0.000 0.864 375 R HN 0.643 nan 8.270 nan 0.000 0.440 376 A N 0.818 123.765 122.820 0.211 0.000 1.902 376 A HA 0.230 4.552 4.320 0.003 0.000 0.217 376 A C 2.814 180.535 177.584 0.229 0.000 1.181 376 A CA 1.915 54.138 52.037 0.309 0.000 0.623 376 A CB -0.818 18.375 19.000 0.323 0.000 0.818 376 A HN 0.910 nan 8.150 nan 0.000 0.443 377 A N -0.658 122.263 122.820 0.167 0.000 1.858 377 A HA -0.224 4.098 4.320 0.003 0.000 0.216 377 A C 2.235 179.839 177.584 0.034 0.000 1.190 377 A CA 1.862 53.907 52.037 0.014 0.000 0.617 377 A CB -0.721 18.242 19.000 -0.061 0.000 0.827 377 A HN 0.665 nan 8.150 nan 0.000 0.443 378 Q N -1.801 118.039 119.800 0.068 0.000 2.077 378 Q HA -0.275 4.066 4.340 0.003 0.000 0.206 378 Q C 1.981 178.040 176.000 0.099 0.000 0.989 378 Q CA 2.317 58.150 55.803 0.051 0.000 0.853 378 Q CB -0.420 28.352 28.738 0.057 0.000 0.907 378 Q HN 0.735 nan 8.270 nan 0.000 0.418 379 Y N 0.134 120.471 120.300 0.062 0.000 2.207 379 Y HA -0.187 4.364 4.550 0.002 0.000 0.287 379 Y C 2.017 177.955 175.900 0.063 0.000 1.156 379 Y CA 1.668 59.821 58.100 0.088 0.000 1.182 379 Y CB -0.325 38.243 38.460 0.180 0.000 0.979 379 Y HN 0.279 nan 8.280 nan 0.000 0.521 380 A N -0.033 122.913 122.820 0.210 0.000 2.067 380 A HA -0.066 4.255 4.320 0.003 0.000 0.217 380 A C 2.285 180.020 177.584 0.253 0.000 1.156 380 A CA 1.216 53.368 52.037 0.192 0.000 0.683 380 A CB -0.584 18.578 19.000 0.269 0.000 0.808 380 A HN 0.523 nan 8.150 nan 0.000 0.455 381 R N -0.081 120.485 120.500 0.109 0.000 2.080 381 R HA -0.038 4.303 4.340 0.003 0.000 0.222 381 R C 1.779 178.092 176.300 0.023 0.000 1.107 381 R CA 1.357 57.417 56.100 -0.066 0.000 0.980 381 R CB -0.144 29.938 30.300 -0.364 0.000 0.879 381 R HN 0.622 nan 8.270 nan 0.000 0.439 382 E N -0.060 120.116 120.200 -0.039 0.000 2.076 382 E HA -0.063 4.288 4.350 0.003 0.000 0.190 382 E C 1.407 177.952 176.600 -0.092 0.000 0.979 382 E CA 0.465 56.823 56.400 -0.070 0.000 0.807 382 E CB 0.142 29.784 29.700 -0.097 0.000 0.761 382 E HN 0.115 nan 8.360 nan 0.000 0.454 383 R N 1.209 121.602 120.500 -0.179 0.000 2.346 383 R HA 0.058 4.399 4.340 0.003 0.000 0.225 383 R C -0.073 176.199 176.300 -0.047 0.000 0.987 383 R CA 0.044 56.031 56.100 -0.189 0.000 1.106 383 R CB -0.210 29.816 30.300 -0.458 0.000 1.090 383 R HN 0.024 nan 8.270 nan 0.000 0.502 384 K N 0.501 120.891 120.400 -0.016 0.000 3.156 384 K HA -0.190 4.131 4.320 0.003 0.000 0.266 384 K C -0.165 176.368 176.600 -0.113 0.000 0.966 384 K CA 0.780 56.951 56.287 -0.193 0.000 0.719 384 K CB -2.064 30.338 32.500 -0.163 0.000 1.333 384 K HN 0.352 nan 8.250 nan 0.000 0.468 385 I N 0.973 121.571 120.570 0.046 0.000 2.359 385 I HA 0.175 4.347 4.170 0.003 0.000 0.294 385 I C -1.943 174.288 176.117 0.191 0.000 0.987 385 I CA -2.634 58.583 61.300 -0.138 0.000 1.225 385 I CB 1.358 39.231 38.000 -0.211 0.000 1.366 385 I HN -0.194 nan 8.210 nan 0.000 0.466 386 P HA -0.115 nan 4.420 nan 0.000 0.261 386 P C -1.455 176.085 177.300 0.400 0.000 1.173 386 P CA 0.625 63.900 63.100 0.292 0.000 0.760 386 P CB 0.055 31.687 31.700 -0.113 0.000 0.783 387 Y N 4.809 125.312 120.300 0.340 0.000 2.373 387 Y HA 0.603 5.154 4.550 0.002 0.000 0.336 387 Y C -1.595 174.223 175.900 -0.137 0.000 0.979 387 Y CA -1.248 56.836 58.100 -0.026 0.000 1.080 387 Y CB 1.300 39.457 38.460 -0.505 0.000 1.190 387 Y HN 0.178 nan 8.280 nan 0.000 0.446 388 L N 6.062 126.755 121.223 -0.882 0.000 2.376 388 L HA 0.853 5.194 4.340 0.003 0.000 0.275 388 L C -0.692 175.492 176.870 -1.144 0.000 0.987 388 L CA -0.256 54.041 54.840 -0.905 0.000 0.828 388 L CB 1.719 43.039 42.059 -1.231 0.000 1.249 388 L HN 0.787 nan 8.230 nan 0.000 0.409 389 G N 6.179 114.500 108.800 -0.799 0.000 2.478 389 G HA2 0.600 4.562 3.960 0.003 0.000 0.317 389 G HA3 0.600 4.562 3.960 0.003 0.000 0.317 389 G C -1.065 173.603 174.900 -0.386 0.000 1.259 389 G CA -0.395 44.376 45.100 -0.548 0.000 0.933 389 G HN 0.395 nan 8.290 nan 0.000 0.478 390 I N 2.280 122.644 120.570 -0.342 0.000 2.339 390 I HA 0.272 4.443 4.170 0.003 0.000 0.290 390 I C 1.372 177.308 176.117 -0.303 0.000 0.994 390 I CA -0.396 60.726 61.300 -0.297 0.000 1.191 390 I CB 0.213 38.095 38.000 -0.197 0.000 1.343 390 I HN 0.771 nan 8.210 nan 0.000 0.458 391 C N 5.058 124.130 119.300 -0.381 0.000 5.885 391 C HA -0.346 4.116 4.460 0.003 0.000 0.328 391 C C 2.457 177.295 174.990 -0.254 0.000 2.433 391 C CA 1.971 60.745 59.018 -0.406 0.000 2.197 391 C CB -1.634 25.783 27.740 -0.538 0.000 3.236 391 C HN 0.872 nan 8.230 nan 0.000 0.260 392 L N 2.386 123.496 121.223 -0.188 0.000 2.127 392 L HA 0.157 4.499 4.340 0.003 0.000 0.211 392 L C 2.323 179.141 176.870 -0.087 0.000 1.089 392 L CA 3.260 58.038 54.840 -0.103 0.000 0.757 392 L CB -1.222 40.788 42.059 -0.081 0.000 0.899 392 L HN 0.777 nan 8.230 nan 0.000 0.434 393 G N -0.332 108.391 108.800 -0.129 0.000 2.442 393 G HA2 -0.303 3.659 3.960 0.003 0.000 0.219 393 G HA3 -0.303 3.659 3.960 0.003 0.000 0.219 393 G C 1.640 176.514 174.900 -0.044 0.000 1.141 393 G CA 1.062 46.094 45.100 -0.114 0.000 0.763 393 G HN 0.502 nan 8.290 nan 0.000 0.554 394 L N -0.446 120.719 121.223 -0.098 0.000 2.095 394 L HA 0.040 4.382 4.340 0.003 0.000 0.204 394 L C 2.933 179.784 176.870 -0.031 0.000 1.080 394 L CA 1.261 56.060 54.840 -0.068 0.000 0.759 394 L CB -0.258 41.727 42.059 -0.125 0.000 0.914 394 L HN 0.240 nan 8.230 nan 0.000 0.439 395 Q N -0.113 119.663 119.800 -0.040 0.000 2.124 395 Q HA -0.204 4.137 4.340 0.003 0.000 0.202 395 Q C 2.177 178.197 176.000 0.032 0.000 0.977 395 Q CA 1.429 57.232 55.803 -0.001 0.000 0.850 395 Q CB -0.047 28.696 28.738 0.009 0.000 0.901 395 Q HN 0.500 nan 8.270 nan 0.000 0.429 396 I N 0.761 121.350 120.570 0.031 0.000 2.142 396 I HA -0.231 3.940 4.170 0.003 0.000 0.240 396 I C 2.393 178.538 176.117 0.046 0.000 1.078 396 I CA 1.388 62.708 61.300 0.034 0.000 1.343 396 I CB -1.509 36.510 38.000 0.031 0.000 1.046 396 I HN 0.142 nan 8.210 nan 0.000 0.405 397 A N 0.573 123.428 122.820 0.058 0.000 1.908 397 A HA -0.169 4.153 4.320 0.003 0.000 0.218 397 A C 2.535 180.173 177.584 0.090 0.000 1.181 397 A CA 1.991 54.065 52.037 0.063 0.000 0.627 397 A CB -1.010 18.030 19.000 0.067 0.000 0.818 397 A HN 0.267 nan 8.150 nan 0.000 0.445 398 V N -0.036 119.913 119.914 0.059 0.000 2.407 398 V HA -0.252 3.870 4.120 0.003 0.000 0.248 398 V C 2.396 178.542 176.094 0.086 0.000 1.055 398 V CA 1.971 64.309 62.300 0.063 0.000 1.049 398 V CB -0.624 31.213 31.823 0.023 0.000 0.662 398 V HN 0.574 nan 8.190 nan 0.000 0.455 399 I N -0.311 120.290 120.570 0.052 0.000 2.202 399 I HA -0.174 3.998 4.170 0.003 0.000 0.242 399 I C 2.711 178.844 176.117 0.028 0.000 1.091 399 I CA 1.484 62.802 61.300 0.030 0.000 1.368 399 I CB -0.379 37.641 38.000 0.032 0.000 1.058 399 I HN 0.306 nan 8.210 nan 0.000 0.410 400 E N 0.945 121.169 120.200 0.040 0.000 2.106 400 E HA -0.250 4.102 4.350 0.003 0.000 0.192 400 E C 2.126 178.736 176.600 0.016 0.000 0.984 400 E CA 1.409 57.820 56.400 0.018 0.000 0.806 400 E CB -0.148 29.563 29.700 0.019 0.000 0.750 400 E HN 0.428 nan 8.360 nan 0.000 0.458 401 F N 1.092 120.989 119.950 -0.088 0.000 2.146 401 F HA -0.065 4.464 4.527 0.002 0.000 0.298 401 F C 2.220 177.965 175.800 -0.092 0.000 1.096 401 F CA 1.563 59.495 58.000 -0.112 0.000 1.275 401 F CB -0.427 38.503 39.000 -0.116 0.000 1.008 401 F HN 0.057 nan 8.300 nan 0.000 0.480 402 A N 0.764 123.616 122.820 0.053 0.000 1.883 402 A HA -0.205 4.117 4.320 0.003 0.000 0.217 402 A C 2.338 179.823 177.584 -0.166 0.000 1.186 402 A CA 1.936 53.941 52.037 -0.054 0.000 0.624 402 A CB -0.714 18.266 19.000 -0.032 0.000 0.822 402 A HN 0.457 nan 8.150 nan 0.000 0.444 403 R N -0.551 119.874 120.500 -0.126 0.000 2.061 403 R HA -0.044 4.297 4.340 0.003 0.000 0.230 403 R C 1.271 177.477 176.300 -0.156 0.000 1.140 403 R CA 1.470 57.498 56.100 -0.121 0.000 0.940 403 R CB -0.315 29.943 30.300 -0.070 0.000 0.839 403 R HN 0.487 nan 8.270 nan 0.000 0.429 404 N N -0.227 118.366 118.700 -0.177 0.000 2.336 404 N HA 0.007 4.749 4.740 0.003 0.000 0.189 404 N C 1.018 176.356 175.510 -0.287 0.000 1.113 404 N CA 0.535 53.472 53.050 -0.189 0.000 0.858 404 N CB 1.037 39.443 38.487 -0.134 0.000 0.970 404 N HN 0.055 nan 8.380 nan 0.000 0.471 405 V N -0.650 118.978 119.914 -0.478 0.000 3.350 405 V HA 0.277 4.398 4.120 0.003 0.000 0.246 405 V C 1.536 177.311 176.094 -0.533 0.000 1.363 405 V CA 0.650 62.572 62.300 -0.629 0.000 1.162 405 V CB 0.409 31.471 31.823 -1.268 0.000 0.947 405 V HN 0.140 nan 8.190 nan 0.000 0.454 406 A N 0.022 122.539 122.820 -0.505 0.000 2.348 406 A HA 0.504 4.826 4.320 0.003 0.000 0.224 406 A C 1.804 179.269 177.584 -0.199 0.000 1.227 406 A CA 0.716 52.584 52.037 -0.282 0.000 0.885 406 A CB -0.349 18.537 19.000 -0.190 0.000 0.933 406 A HN 1.205 nan 8.150 nan 0.000 0.506 407 G N -0.134 108.543 108.800 -0.205 0.000 2.296 407 G HA2 -0.251 3.710 3.960 0.003 0.000 0.282 407 G HA3 -0.251 3.710 3.960 0.003 0.000 0.282 407 G C 0.154 174.961 174.900 -0.156 0.000 1.014 407 G CA 0.564 45.575 45.100 -0.148 0.000 0.812 407 G HN 0.526 nan 8.290 nan 0.000 0.508 408 L N 0.822 121.913 121.223 -0.221 0.000 2.387 408 L HA 0.195 4.536 4.340 0.003 0.000 0.267 408 L C 1.066 177.826 176.870 -0.182 0.000 1.197 408 L CA -0.408 54.206 54.840 -0.377 0.000 1.070 408 L CB 0.122 41.863 42.059 -0.530 0.000 1.349 408 L HN 0.165 nan 8.230 nan 0.000 0.422 409 K N 1.851 122.218 120.400 -0.054 0.000 2.524 409 K HA 0.114 4.436 4.320 0.003 0.000 0.279 409 K C 1.268 177.926 176.600 0.097 0.000 0.993 409 K CA 0.626 56.927 56.287 0.023 0.000 1.030 409 K CB 0.308 32.832 32.500 0.040 0.000 0.891 409 K HN 0.739 nan 8.250 nan 0.000 0.488 410 G N 1.206 110.039 108.800 0.055 0.000 2.184 410 G HA2 -0.361 3.601 3.960 0.003 0.000 0.264 410 G HA3 -0.361 3.601 3.960 0.003 0.000 0.264 410 G C 0.386 175.328 174.900 0.070 0.000 0.975 410 G CA 0.184 45.324 45.100 0.067 0.000 0.642 410 G HN 0.954 nan 8.290 nan 0.000 0.536 411 A N -0.473 122.379 122.820 0.053 0.000 2.586 411 A HA 0.491 4.812 4.320 0.003 0.000 0.231 411 A C 0.681 178.268 177.584 0.005 0.000 1.055 411 A CA 1.534 53.578 52.037 0.012 0.000 0.756 411 A CB 0.242 19.198 19.000 -0.072 0.000 0.988 411 A HN 1.161 nan 8.150 nan 0.000 0.509 412 N N -1.382 117.311 118.700 -0.011 0.000 3.405 412 N HA 0.238 4.979 4.740 0.003 0.000 0.292 412 N C -1.335 174.166 175.510 -0.015 0.000 1.456 412 N CA 0.171 53.236 53.050 0.025 0.000 0.861 412 N CB 1.237 39.758 38.487 0.058 0.000 1.643 412 N HN 0.768 nan 8.380 nan 0.000 0.474 413 S N -0.895 114.803 115.700 -0.002 0.000 2.525 413 S HA 0.372 4.844 4.470 0.003 0.000 0.290 413 S C 1.225 175.655 174.600 -0.284 0.000 1.152 413 S CA 0.254 58.335 58.200 -0.199 0.000 1.072 413 S CB 0.500 63.441 63.200 -0.432 0.000 1.027 413 S HN 0.545 nan 8.310 nan 0.000 0.500 414 T N 0.810 115.212 114.554 -0.253 0.000 3.098 414 T HA -0.012 4.339 4.350 0.003 0.000 0.266 414 T C 1.269 175.771 174.700 -0.330 0.000 1.145 414 T CA 1.116 63.104 62.100 -0.187 0.000 1.092 414 T CB -0.302 68.552 68.868 -0.023 0.000 0.908 414 T HN 0.773 nan 8.240 nan 0.000 0.526 415 E N 0.232 119.936 120.200 -0.826 0.000 2.107 415 E HA -0.035 4.316 4.350 0.003 0.000 0.191 415 E C 1.140 177.334 176.600 -0.677 0.000 0.982 415 E CA 0.890 56.685 56.400 -1.009 0.000 0.809 415 E CB -0.087 28.453 29.700 -1.933 0.000 0.756 415 E HN 0.777 nan 8.360 nan 0.000 0.459 416 F N -0.471 119.365 119.950 -0.190 0.000 2.559 416 F HA 0.173 4.702 4.527 0.003 0.000 0.286 416 F C 0.780 176.533 175.800 -0.078 0.000 1.108 416 F CA -0.420 57.516 58.000 -0.107 0.000 1.436 416 F CB 0.725 39.662 39.000 -0.105 0.000 1.130 416 F HN -0.136 nan 8.300 nan 0.000 0.584 417 D N 0.128 120.541 120.400 0.022 0.000 2.330 417 D HA 0.249 4.890 4.640 0.003 0.000 0.249 417 D C -2.361 173.872 176.300 -0.111 0.000 1.306 417 D CA -2.302 51.694 54.000 -0.007 0.000 0.956 417 D CB 1.365 42.191 40.800 0.044 0.000 1.261 417 D HN -0.167 nan 8.370 nan 0.000 0.544 418 P HA -0.069 nan 4.420 nan 0.000 0.225 418 P C 0.419 177.453 177.300 -0.444 0.000 1.148 418 P CA 0.950 63.821 63.100 -0.383 0.000 0.779 418 P CB 0.146 31.525 31.700 -0.535 0.000 0.780 419 H N -3.071 116.008 119.070 0.015 0.000 2.592 419 H HA 0.172 4.730 4.556 0.002 0.000 0.279 419 H C 0.551 175.882 175.328 0.004 0.000 1.089 419 H CA 0.035 56.090 56.048 0.011 0.000 1.150 419 H CB -0.401 29.368 29.762 0.013 0.000 1.575 419 H HN 0.027 nan 8.280 nan 0.000 0.547 420 T N 3.696 118.285 114.554 0.058 0.000 2.937 420 T HA 0.011 4.362 4.350 0.003 0.000 0.316 420 T C -0.983 173.723 174.700 0.010 0.000 1.079 420 T CA -0.977 61.146 62.100 0.039 0.000 1.131 420 T CB 1.126 70.006 68.868 0.020 0.000 1.000 420 T HN 0.174 nan 8.240 nan 0.000 0.549 421 P HA 0.059 nan 4.420 nan 0.000 0.241 421 P C -0.425 176.647 177.300 -0.381 0.000 1.191 421 P CA 0.712 63.707 63.100 -0.175 0.000 0.771 421 P CB 0.008 31.593 31.700 -0.192 0.000 0.929 422 H N 0.848 119.917 119.070 -0.001 0.000 2.651 422 H HA 0.232 4.790 4.556 0.003 0.000 0.252 422 H C -2.390 172.760 175.328 -0.296 0.000 1.365 422 H CA -1.680 54.292 56.048 -0.127 0.000 1.539 422 H CB 1.096 30.764 29.762 -0.157 0.000 1.621 422 H HN 0.036 nan 8.280 nan 0.000 0.526 423 P HA -0.044 nan 4.420 nan 0.000 0.237 423 P C 1.163 178.324 177.300 -0.231 0.000 1.788 423 P CA -0.050 62.986 63.100 -0.106 0.000 1.061 423 P CB 0.184 31.894 31.700 0.018 0.000 1.967 424 V N -0.034 119.654 119.914 -0.377 0.000 3.078 424 V HA 0.039 4.160 4.120 0.003 0.000 0.265 424 V C 0.909 176.957 176.094 -0.077 0.000 1.122 424 V CA 0.981 63.077 62.300 -0.339 0.000 1.141 424 V CB -0.985 30.673 31.823 -0.275 0.000 0.735 424 V HN 0.187 nan 8.190 nan 0.000 0.498 425 I N 0.541 121.083 120.570 -0.047 0.000 2.571 425 I HA 0.670 4.841 4.170 0.003 0.000 0.289 425 I C -0.968 175.183 176.117 0.057 0.000 1.115 425 I CA -0.266 61.044 61.300 0.016 0.000 1.045 425 I CB 2.027 40.016 38.000 -0.018 0.000 1.238 425 I HN 0.099 nan 8.210 nan 0.000 0.424 426 D N 4.281 124.784 120.400 0.171 0.000 2.759 426 D HA 0.457 5.098 4.640 0.003 0.000 0.321 426 D C -0.902 175.535 176.300 0.229 0.000 1.267 426 D CA -0.431 53.717 54.000 0.247 0.000 0.933 426 D CB 1.666 42.542 40.800 0.127 0.000 1.431 426 D HN -0.001 nan 8.370 nan 0.000 0.504 427 L N 0.601 121.855 121.223 0.052 0.000 2.461 427 L HA 0.218 4.560 4.340 0.003 0.000 0.259 427 L C 1.031 177.850 176.870 -0.086 0.000 1.248 427 L CA -0.024 54.701 54.840 -0.191 0.000 0.823 427 L CB -0.634 41.315 42.059 -0.183 0.000 1.111 427 L HN 0.686 nan 8.230 nan 0.000 0.516 428 M N 2.851 122.379 119.600 -0.121 0.000 2.338 428 M HA 0.096 4.577 4.480 0.003 0.000 0.360 428 M C -2.100 174.183 176.300 -0.027 0.000 1.547 428 M CA -0.633 54.625 55.300 -0.069 0.000 1.001 428 M CB -0.314 32.237 32.600 -0.083 0.000 2.008 428 M HN 0.197 nan 8.290 nan 0.000 0.464 429 P HA 0.090 nan 4.420 nan 0.000 0.261 429 P C 0.447 177.753 177.300 0.010 0.000 1.183 429 P CA 0.786 63.895 63.100 0.015 0.000 0.761 429 P CB 0.298 32.014 31.700 0.026 0.000 0.785 430 E N 3.681 123.888 120.200 0.011 0.000 2.147 430 E HA -0.321 4.030 4.350 0.003 0.000 0.199 430 E C 1.766 178.374 176.600 0.012 0.000 1.005 430 E CA 2.092 58.497 56.400 0.009 0.000 0.810 430 E CB -1.246 28.460 29.700 0.011 0.000 0.736 430 E HN 0.808 nan 8.360 nan 0.000 0.460 431 Q N -0.274 119.536 119.800 0.015 0.000 2.079 431 Q HA -0.009 4.332 4.340 0.003 0.000 0.200 431 Q C 2.265 178.277 176.000 0.020 0.000 0.974 431 Q CA 1.593 57.405 55.803 0.016 0.000 0.840 431 Q CB -0.321 28.427 28.738 0.017 0.000 0.898 431 Q HN 0.558 nan 8.270 nan 0.000 0.430 432 L N 0.813 122.050 121.223 0.023 0.000 2.599 432 L HA 0.186 4.528 4.340 0.003 0.000 0.230 432 L C 0.841 177.733 176.870 0.036 0.000 1.141 432 L CA -0.247 54.613 54.840 0.032 0.000 0.877 432 L CB -0.177 41.903 42.059 0.036 0.000 1.009 432 L HN 0.195 nan 8.230 nan 0.000 0.447 433 E N 0.176 120.390 120.200 0.024 0.000 2.312 433 E HA 0.438 4.789 4.350 0.003 0.000 0.259 433 E C -0.522 176.094 176.600 0.026 0.000 1.122 433 E CA -0.264 56.150 56.400 0.023 0.000 0.922 433 E CB 1.460 31.165 29.700 0.009 0.000 1.109 433 E HN -0.157 nan 8.360 nan 0.000 0.442 439 G N 1.691 110.477 108.800 -0.023 0.000 4.222 439 G HA2 0.491 4.452 3.960 0.003 0.000 0.301 439 G HA3 0.491 4.452 3.960 0.003 0.000 0.301 439 G C 0.345 175.220 174.900 -0.042 0.000 1.171 439 G CA 0.975 46.050 45.100 -0.041 0.000 0.937 439 G HN 0.991 nan 8.290 nan 0.000 0.557 440 T N -1.954 112.579 114.554 -0.034 0.000 2.929 440 T HA 0.708 5.059 4.350 0.003 0.000 0.284 440 T C 0.593 175.262 174.700 -0.052 0.000 1.014 440 T CA -0.751 61.335 62.100 -0.024 0.000 1.051 440 T CB 1.963 70.834 68.868 0.006 0.000 1.028 440 T HN 0.002 nan 8.240 nan 0.000 0.485 441 M N 1.294 120.869 119.600 -0.043 0.000 2.163 441 M HA 0.351 4.833 4.480 0.003 0.000 0.305 441 M C 0.678 176.908 176.300 -0.115 0.000 1.166 441 M CA -0.499 54.743 55.300 -0.097 0.000 1.132 441 M CB 0.547 33.137 32.600 -0.017 0.000 1.413 441 M HN 0.504 nan 8.290 nan 0.000 0.478 442 R N 1.262 121.574 120.500 -0.313 0.000 2.221 442 R HA 0.589 4.930 4.340 0.003 0.000 0.327 442 R C -1.241 175.001 176.300 -0.098 0.000 1.033 442 R CA -0.178 55.703 56.100 -0.365 0.000 0.887 442 R CB 0.444 30.101 30.300 -1.072 0.000 1.057 442 R HN 0.519 nan 8.270 nan 0.000 0.455 443 L N 1.820 123.163 121.223 0.200 0.000 2.354 443 L HA 0.631 4.972 4.340 0.003 0.000 0.264 443 L C 0.602 177.703 176.870 0.384 0.000 1.008 443 L CA -0.434 54.558 54.840 0.254 0.000 0.819 443 L CB 2.231 44.392 42.059 0.170 0.000 1.339 443 L HN 0.876 nan 8.230 nan 0.000 0.420 444 G N 1.426 110.422 108.800 0.328 0.000 2.741 444 G HA2 -0.196 3.766 3.960 0.003 0.000 0.222 444 G HA3 -0.196 3.766 3.960 0.003 0.000 0.222 444 G C -0.829 174.349 174.900 0.464 0.000 1.364 444 G CA -0.764 44.519 45.100 0.305 0.000 0.866 444 G HN 0.583 nan 8.290 nan 0.000 0.555 445 D N -0.262 120.328 120.400 0.318 0.000 2.455 445 D HA 0.411 5.052 4.640 0.003 0.000 0.241 445 D C -0.303 176.188 176.300 0.318 0.000 1.138 445 D CA 0.972 55.170 54.000 0.329 0.000 0.877 445 D CB 0.451 41.356 40.800 0.175 0.000 1.187 445 D HN 0.406 nan 8.370 nan 0.000 0.451 446 W N 2.764 124.151 121.300 0.145 0.000 2.998 446 W HA 0.270 4.931 4.660 0.001 0.000 0.335 446 W C -2.037 174.523 176.519 0.069 0.000 1.110 446 W CA -1.863 55.497 57.345 0.025 0.000 1.230 446 W CB 1.411 30.742 29.460 -0.215 0.000 1.405 446 W HN 0.160 nan 8.180 nan 0.000 0.493 447 P HA 0.113 nan 4.420 nan 0.000 0.271 447 P C -0.725 176.664 177.300 0.148 0.000 1.216 447 P CA 0.097 63.270 63.100 0.121 0.000 0.771 447 P CB 1.124 32.851 31.700 0.044 0.000 0.864 448 M N 2.870 122.530 119.600 0.100 0.000 2.134 448 M HA 0.447 4.928 4.480 0.003 0.000 0.310 448 M C -0.102 176.199 176.300 0.002 0.000 0.966 448 M CA -0.590 54.746 55.300 0.060 0.000 0.922 448 M CB 1.500 34.118 32.600 0.032 0.000 1.537 448 M HN 0.276 nan 8.290 nan 0.000 0.424 449 R N 5.583 126.087 120.500 0.008 0.000 2.205 449 R HA 0.600 4.941 4.340 0.003 0.000 0.342 449 R C -0.859 175.426 176.300 -0.025 0.000 1.058 449 R CA -0.222 55.874 56.100 -0.006 0.000 0.904 449 R CB -0.482 29.821 30.300 0.004 0.000 1.089 449 R HN 0.843 nan 8.270 nan 0.000 0.471 450 I N 1.835 122.384 120.570 -0.035 0.000 2.519 450 I HA 0.371 4.543 4.170 0.003 0.000 0.287 450 I C 1.167 177.264 176.117 -0.034 0.000 1.047 450 I CA -0.498 60.785 61.300 -0.029 0.000 1.381 450 I CB 1.514 39.514 38.000 0.001 0.000 1.417 450 I HN 0.738 nan 8.210 nan 0.000 0.540 451 K N 7.065 127.436 120.400 -0.048 0.000 2.227 451 K HA 0.473 4.794 4.320 0.003 0.000 0.280 451 K C -2.708 173.777 176.600 -0.191 0.000 1.041 451 K CA -1.754 54.476 56.287 -0.095 0.000 0.905 451 K CB -0.096 32.367 32.500 -0.062 0.000 1.068 451 K HN 0.321 nan 8.250 nan 0.000 0.470 452 P HA 0.116 nan 4.420 nan 0.000 0.266 452 P C 1.099 178.254 177.300 -0.242 0.000 1.193 452 P CA 1.759 64.500 63.100 -0.599 0.000 0.770 452 P CB 0.890 32.354 31.700 -0.394 0.000 0.836 453 G N 0.774 109.510 108.800 -0.107 0.000 2.184 453 G HA2 -0.245 3.717 3.960 0.003 0.000 0.264 453 G HA3 -0.245 3.717 3.960 0.003 0.000 0.264 453 G C 0.456 175.391 174.900 0.058 0.000 0.975 453 G CA 0.609 45.728 45.100 0.032 0.000 0.642 453 G HN 0.828 nan 8.290 nan 0.000 0.536 454 T N -1.773 112.823 114.554 0.069 0.000 2.824 454 T HA 0.623 4.974 4.350 0.003 0.000 0.277 454 T C 1.592 176.350 174.700 0.097 0.000 0.975 454 T CA -0.091 62.045 62.100 0.060 0.000 0.966 454 T CB 1.444 70.332 68.868 0.034 0.000 1.054 454 T HN 0.582 nan 8.240 nan 0.000 0.533 455 L N 0.228 121.479 121.223 0.046 0.000 2.093 455 L HA 0.070 4.411 4.340 0.003 0.000 0.208 455 L C 2.151 179.070 176.870 0.082 0.000 1.085 455 L CA 1.457 56.321 54.840 0.040 0.000 0.755 455 L CB -1.276 40.745 42.059 -0.065 0.000 0.904 455 L HN 0.796 nan 8.230 nan 0.000 0.435 456 L N -0.287 120.983 121.223 0.079 0.000 2.042 456 L HA -0.292 4.050 4.340 0.003 0.000 0.210 456 L C 2.621 179.635 176.870 0.241 0.000 1.076 456 L CA 1.874 56.803 54.840 0.148 0.000 0.749 456 L CB -0.491 41.612 42.059 0.073 0.000 0.893 456 L HN 0.446 nan 8.230 nan 0.000 0.432 457 H N 0.028 119.153 119.070 0.091 0.000 2.357 457 H HA -0.215 4.343 4.556 0.003 0.000 0.301 457 H C 2.374 177.775 175.328 0.122 0.000 1.082 457 H CA 2.113 58.218 56.048 0.096 0.000 1.342 457 H CB -0.024 29.768 29.762 0.050 0.000 1.389 457 H HN 0.153 nan 8.280 nan 0.000 0.511 458 R N -0.027 120.526 120.500 0.089 0.000 2.091 458 R HA -0.115 4.226 4.340 0.003 0.000 0.238 458 R C 2.125 178.442 176.300 0.029 0.000 1.136 458 R CA 1.725 57.841 56.100 0.027 0.000 0.959 458 R CB -0.248 30.102 30.300 0.083 0.000 0.856 458 R HN 0.387 nan 8.270 nan 0.000 0.437 459 L N -0.806 120.476 121.223 0.099 0.000 2.005 459 L HA -0.164 4.178 4.340 0.003 0.000 0.207 459 L C 2.292 179.164 176.870 0.003 0.000 1.072 459 L CA 1.368 56.252 54.840 0.073 0.000 0.744 459 L CB -0.685 41.450 42.059 0.126 0.000 0.895 459 L HN 0.194 nan 8.230 nan 0.000 0.433 460 Y N 0.175 120.474 120.300 -0.002 0.000 2.153 460 Y HA -0.027 4.525 4.550 0.003 0.000 0.289 460 Y C 2.009 177.871 175.900 -0.064 0.000 1.127 460 Y CA 1.245 59.340 58.100 -0.008 0.000 1.131 460 Y CB -0.595 37.878 38.460 0.022 0.000 0.995 460 Y HN 0.320 nan 8.280 nan 0.000 0.505 461 G N -0.064 108.729 108.800 -0.013 0.000 2.132 461 G HA2 -0.235 3.727 3.960 0.003 0.000 0.234 461 G HA3 -0.235 3.727 3.960 0.003 0.000 0.234 461 G C 0.015 174.878 174.900 -0.062 0.000 0.989 461 G CA 0.204 45.212 45.100 -0.152 0.000 0.676 461 G HN 0.335 nan 8.290 nan 0.000 0.522 462 K N -1.655 118.769 120.400 0.040 0.000 2.480 462 K HA 0.742 5.064 4.320 0.003 0.000 0.258 462 K C 0.675 177.391 176.600 0.193 0.000 0.990 462 K CA -0.138 56.221 56.287 0.120 0.000 0.857 462 K CB 1.490 34.066 32.500 0.128 0.000 1.384 462 K HN 0.236 nan 8.250 nan 0.000 0.446 463 E N 0.841 121.135 120.200 0.157 0.000 2.473 463 E HA 0.043 4.394 4.350 0.003 0.000 0.204 463 E C -0.154 176.471 176.600 0.041 0.000 0.994 463 E CA 0.420 56.890 56.400 0.117 0.000 0.945 463 E CB 0.675 30.423 29.700 0.081 0.000 0.990 463 E HN 0.563 nan 8.360 nan 0.000 0.493 464 E N -0.419 119.803 120.200 0.036 0.000 2.278 464 E HA 0.512 4.863 4.350 0.003 0.000 0.272 464 E C -0.858 175.754 176.600 0.020 0.000 0.890 464 E CA -0.520 55.890 56.400 0.017 0.000 0.770 464 E CB 2.091 31.806 29.700 0.026 0.000 1.212 464 E HN 0.392 nan 8.360 nan 0.000 0.415 465 V N 1.124 121.038 119.914 0.001 0.000 3.202 465 V HA 0.654 4.776 4.120 0.003 0.000 0.306 465 V C -1.584 174.549 176.094 0.065 0.000 1.283 465 V CA -1.005 61.316 62.300 0.034 0.000 1.065 465 V CB 1.665 33.486 31.823 -0.003 0.000 1.079 465 V HN 0.631 nan 8.190 nan 0.000 0.448 466 L N 1.422 122.713 121.223 0.112 0.000 2.346 466 L HA 0.818 5.159 4.340 0.003 0.000 0.276 466 L C -0.553 176.435 176.870 0.196 0.000 1.006 466 L CA -0.428 54.504 54.840 0.154 0.000 0.817 466 L CB 1.977 44.117 42.059 0.135 0.000 1.272 466 L HN 0.710 nan 8.230 nan 0.000 0.421 467 E N 2.304 122.656 120.200 0.254 0.000 2.340 467 E HA 0.461 4.812 4.350 0.003 0.000 0.273 467 E C -1.118 175.665 176.600 0.305 0.000 0.891 467 E CA -0.876 55.662 56.400 0.229 0.000 0.757 467 E CB 2.740 32.525 29.700 0.141 0.000 1.231 467 E HN 0.439 nan 8.360 nan 0.000 0.439 468 R N 1.305 121.951 120.500 0.242 0.000 2.410 468 R HA 0.452 4.793 4.340 0.003 0.000 0.288 468 R C -0.380 176.057 176.300 0.229 0.000 1.051 468 R CA -0.420 55.877 56.100 0.327 0.000 1.021 468 R CB 0.542 31.024 30.300 0.303 0.000 1.032 468 R HN 0.392 nan 8.270 nan 0.000 0.481 469 H N 0.607 119.853 119.070 0.293 0.000 2.731 469 H HA 0.495 5.053 4.556 0.003 0.000 0.368 469 H C -0.477 175.031 175.328 0.300 0.000 1.168 469 H CA -0.916 55.294 56.048 0.271 0.000 1.181 469 H CB 1.768 31.575 29.762 0.074 0.000 1.743 469 H HN 0.363 nan 8.280 nan 0.000 0.547 470 R N 2.581 123.384 120.500 0.505 0.000 3.189 470 R HA 0.156 4.498 4.340 0.003 0.000 0.222 470 R C -1.937 174.651 176.300 0.481 0.000 1.735 470 R CA -0.494 55.854 56.100 0.413 0.000 1.129 470 R CB -0.045 30.520 30.300 0.442 0.000 1.549 470 R HN 1.029 nan 8.270 nan 0.000 0.525 471 H N 1.057 120.259 119.070 0.219 0.000 3.037 471 H HA 0.264 4.822 4.556 0.003 0.000 0.336 471 H C -0.989 174.396 175.328 0.094 0.000 1.323 471 H CA -1.023 55.138 56.048 0.187 0.000 1.159 471 H CB 1.146 30.953 29.762 0.075 0.000 1.882 471 H HN 0.533 nan 8.280 nan 0.000 0.535 472 R N 0.266 120.824 120.500 0.096 0.000 2.508 472 R HA 0.280 4.622 4.340 0.003 0.000 0.300 472 R C -1.037 175.031 176.300 -0.386 0.000 0.970 472 R CA -0.274 55.710 56.100 -0.193 0.000 1.102 472 R CB 0.251 30.426 30.300 -0.208 0.000 1.246 472 R HN 0.226 nan 8.270 nan 0.000 0.539 473 Y N 1.094 121.470 120.300 0.128 0.000 2.429 473 Y HA 0.454 5.006 4.550 0.003 0.000 0.342 473 Y C 0.131 176.112 175.900 0.134 0.000 1.004 473 Y CA -0.965 57.179 58.100 0.073 0.000 1.075 473 Y CB 1.715 40.165 38.460 -0.016 0.000 1.214 473 Y HN -0.041 nan 8.280 nan 0.000 0.455 474 E N 0.984 121.296 120.200 0.187 0.000 2.359 474 E HA 0.413 4.765 4.350 0.003 0.000 0.266 474 E C -1.169 175.484 176.600 0.089 0.000 0.920 474 E CA -1.119 55.351 56.400 0.117 0.000 0.788 474 E CB 2.562 32.300 29.700 0.063 0.000 1.279 474 E HN 0.275 nan 8.360 nan 0.000 0.438 475 V N 1.838 121.785 119.914 0.055 0.000 2.521 475 V HA -0.020 4.102 4.120 0.003 0.000 0.286 475 V C 0.741 176.884 176.094 0.081 0.000 1.034 475 V CA 0.011 62.344 62.300 0.054 0.000 1.045 475 V CB -0.134 31.709 31.823 0.034 0.000 0.974 475 V HN 0.563 nan 8.190 nan 0.000 0.480 476 N N 6.312 125.079 118.700 0.112 0.000 2.438 476 N HA 0.073 4.815 4.740 0.003 0.000 0.267 476 N C -1.617 173.997 175.510 0.174 0.000 1.222 476 N CA -1.139 52.009 53.050 0.164 0.000 0.930 476 N CB 1.156 39.796 38.487 0.255 0.000 1.083 476 N HN 0.365 nan 8.380 nan 0.000 0.476 477 P HA -0.225 nan 4.420 nan 0.000 0.215 477 P C 1.141 178.482 177.300 0.069 0.000 1.163 477 P CA 1.240 64.386 63.100 0.077 0.000 0.894 477 P CB 0.151 31.881 31.700 0.050 0.000 0.791 478 L N -3.152 118.103 121.223 0.052 0.000 2.270 478 L HA -0.228 4.114 4.340 0.003 0.000 0.217 478 L C 1.960 178.713 176.870 -0.195 0.000 1.107 478 L CA 1.628 56.423 54.840 -0.075 0.000 0.772 478 L CB -0.895 41.092 42.059 -0.120 0.000 0.902 478 L HN 0.091 nan 8.230 nan 0.000 0.439 479 Y N -2.317 118.010 120.300 0.046 0.000 2.458 479 Y HA 0.047 4.599 4.550 0.002 0.000 0.254 479 Y C 2.156 178.080 175.900 0.040 0.000 1.120 479 Y CA -0.113 58.017 58.100 0.050 0.000 1.282 479 Y CB 0.078 38.575 38.460 0.062 0.000 1.109 479 Y HN -0.167 nan 8.280 nan 0.000 0.526 480 V N 0.668 120.667 119.914 0.142 0.000 2.231 480 V HA -0.373 3.748 4.120 0.003 0.000 0.248 480 V C 2.309 178.439 176.094 0.060 0.000 1.054 480 V CA 2.569 64.921 62.300 0.086 0.000 1.015 480 V CB -1.387 30.466 31.823 0.051 0.000 0.638 480 V HN 0.610 nan 8.190 nan 0.000 0.444 481 D N 0.008 120.429 120.400 0.034 0.000 2.127 481 D HA -0.227 4.415 4.640 0.003 0.000 0.190 481 D C 2.241 178.562 176.300 0.036 0.000 1.000 481 D CA 2.146 56.158 54.000 0.020 0.000 0.839 481 D CB -1.236 39.564 40.800 -0.001 0.000 0.955 481 D HN 0.572 nan 8.370 nan 0.000 0.446 482 G N -0.081 108.746 108.800 0.044 0.000 2.446 482 G HA2 -0.083 3.879 3.960 0.003 0.000 0.217 482 G HA3 -0.083 3.879 3.960 0.003 0.000 0.217 482 G C 1.896 176.861 174.900 0.108 0.000 1.168 482 G CA 1.011 46.149 45.100 0.063 0.000 0.771 482 G HN 0.541 nan 8.290 nan 0.000 0.551 483 L N 0.176 121.493 121.223 0.155 0.000 2.079 483 L HA -0.086 4.256 4.340 0.003 0.000 0.210 483 L C 2.904 179.888 176.870 0.190 0.000 1.081 483 L CA 1.302 56.289 54.840 0.245 0.000 0.752 483 L CB -0.429 41.759 42.059 0.215 0.000 0.896 483 L HN 0.323 nan 8.230 nan 0.000 0.433 484 E N -0.056 120.192 120.200 0.080 0.000 2.072 484 E HA -0.194 4.157 4.350 0.003 0.000 0.191 484 E C 2.323 178.957 176.600 0.056 0.000 0.985 484 E CA 0.852 57.270 56.400 0.031 0.000 0.801 484 E CB -0.052 29.653 29.700 0.008 0.000 0.750 484 E HN 0.453 nan 8.360 nan 0.000 0.452 485 R N 0.528 121.066 120.500 0.063 0.000 2.120 485 R HA -0.057 4.284 4.340 0.003 0.000 0.234 485 R C 2.258 178.603 176.300 0.074 0.000 1.123 485 R CA 1.025 57.155 56.100 0.051 0.000 0.975 485 R CB -0.249 30.072 30.300 0.034 0.000 0.866 485 R HN 0.084 nan 8.270 nan 0.000 0.446 486 A N 0.058 122.956 122.820 0.131 0.000 2.119 486 A HA 0.093 4.415 4.320 0.003 0.000 0.217 486 A C 1.522 179.268 177.584 0.271 0.000 1.153 486 A CA 1.300 53.423 52.037 0.144 0.000 0.692 486 A CB -0.051 19.015 19.000 0.110 0.000 0.799 486 A HN 0.501 nan 8.150 nan 0.000 0.458 487 G N -2.477 106.474 108.800 0.251 0.000 2.183 487 G HA2 -0.059 3.902 3.960 0.003 0.000 0.168 487 G HA3 -0.059 3.902 3.960 0.003 0.000 0.168 487 G C -0.097 174.792 174.900 -0.018 0.000 1.008 487 G CA -0.018 45.180 45.100 0.162 0.000 0.677 487 G HN 0.680 nan 8.290 nan 0.000 0.498 488 L N 1.951 123.059 121.223 -0.191 0.000 2.349 488 L HA 0.729 5.071 4.340 0.003 0.000 0.275 488 L C 0.264 176.981 176.870 -0.254 0.000 1.115 488 L CA -0.586 53.909 54.840 -0.575 0.000 0.820 488 L CB 1.637 43.191 42.059 -0.841 0.000 1.135 488 L HN 0.048 nan 8.230 nan 0.000 0.445 489 V N 5.821 125.597 119.914 -0.230 0.000 2.398 489 V HA 0.322 4.444 4.120 0.003 0.000 0.286 489 V C -0.232 175.795 176.094 -0.111 0.000 1.026 489 V CA -0.764 61.458 62.300 -0.129 0.000 0.868 489 V CB 1.640 33.405 31.823 -0.097 0.000 0.982 489 V HN 0.486 nan 8.190 nan 0.000 0.443 490 V N 4.904 124.771 119.914 -0.078 0.000 2.284 490 V HA 0.121 4.242 4.120 0.003 0.000 0.260 490 V C 1.264 177.329 176.094 -0.048 0.000 1.084 490 V CA 0.299 62.563 62.300 -0.060 0.000 0.894 490 V CB 0.801 32.600 31.823 -0.040 0.000 1.119 490 V HN 1.086 nan 8.190 nan 0.000 0.484 491 S N 2.383 118.053 115.700 -0.050 0.000 2.603 491 S HA 0.490 4.962 4.470 0.003 0.000 0.220 491 S C 0.623 175.202 174.600 -0.035 0.000 0.967 491 S CA 0.336 58.513 58.200 -0.038 0.000 0.920 491 S CB 0.250 63.430 63.200 -0.033 0.000 0.773 491 S HN 1.036 nan 8.310 nan 0.000 0.529 492 A N -0.040 122.759 122.820 -0.035 0.000 2.594 492 A HA 0.708 5.029 4.320 0.003 0.000 0.296 492 A C -0.541 177.036 177.584 -0.012 0.000 1.061 492 A CA -0.631 51.388 52.037 -0.030 0.000 0.689 492 A CB 1.166 20.139 19.000 -0.045 0.000 1.280 492 A HN 0.150 nan 8.150 nan 0.000 0.406 493 T N 0.316 114.872 114.554 0.002 0.000 2.841 493 T HA 0.756 5.108 4.350 0.003 0.000 0.296 493 T C -0.695 174.032 174.700 0.045 0.000 1.166 493 T CA -0.161 61.952 62.100 0.021 0.000 1.007 493 T CB 1.891 70.769 68.868 0.016 0.000 1.253 493 T HN 1.092 nan 8.240 nan 0.000 0.511 494 T N 2.081 116.677 114.554 0.071 0.000 2.829 494 T HA 0.498 4.849 4.350 0.003 0.000 0.280 494 T C -1.917 172.845 174.700 0.103 0.000 0.999 494 T CA -2.352 59.815 62.100 0.113 0.000 0.983 494 T CB 1.408 70.393 68.868 0.194 0.000 0.968 494 T HN 0.257 nan 8.240 nan 0.000 0.446 495 P HA 0.239 nan 4.420 nan 0.000 0.242 495 P C 0.822 178.165 177.300 0.072 0.000 1.197 495 P CA 0.597 63.732 63.100 0.058 0.000 0.765 495 P CB -0.450 31.268 31.700 0.031 0.000 0.936 496 G N 0.205 109.090 108.800 0.141 0.000 2.685 496 G HA2 -0.086 3.875 3.960 0.003 0.000 0.387 496 G HA3 -0.086 3.875 3.960 0.003 0.000 0.387 496 G C -1.233 173.638 174.900 -0.048 0.000 1.324 496 G CA -0.255 44.955 45.100 0.183 0.000 0.878 496 G HN 0.408 nan 8.290 nan 0.000 0.527 497 M N 0.200 119.664 119.600 -0.226 0.000 2.294 497 M HA 0.636 5.118 4.480 0.003 0.000 0.280 497 M C 0.715 176.833 176.300 -0.304 0.000 1.085 497 M CA 0.609 55.618 55.300 -0.484 0.000 0.969 497 M CB 1.665 33.536 32.600 -1.216 0.000 1.770 497 M HN 2.878 nan 8.290 nan 0.000 0.485 498 R N 1.719 122.101 120.500 -0.196 0.000 3.525 498 R HA -0.096 4.245 4.340 0.003 0.000 0.276 498 R C 0.813 177.080 176.300 -0.054 0.000 1.116 498 R CA 1.865 57.897 56.100 -0.113 0.000 0.745 498 R CB -3.384 26.845 30.300 -0.117 0.000 1.185 498 R HN 2.420 nan 8.270 nan 0.000 0.454 499 G N -1.965 106.811 108.800 -0.039 0.000 2.198 499 G HA2 -0.280 3.681 3.960 0.003 0.000 0.260 499 G HA3 -0.280 3.681 3.960 0.003 0.000 0.260 499 G C 0.050 174.970 174.900 0.034 0.000 1.025 499 G CA 0.881 45.980 45.100 -0.001 0.000 0.769 499 G HN 1.373 nan 8.290 nan 0.000 0.507 500 R N -0.578 119.962 120.500 0.067 0.000 2.686 500 R HA 0.547 4.888 4.340 0.003 0.000 0.286 500 R C 1.141 177.602 176.300 0.269 0.000 0.969 500 R CA 0.022 56.216 56.100 0.156 0.000 0.898 500 R CB 1.049 31.478 30.300 0.216 0.000 1.183 500 R HN 1.322 nan 8.270 nan 0.000 0.456 501 G N 1.932 110.841 108.800 0.182 0.000 2.225 501 G HA2 -0.324 3.638 3.960 0.003 0.000 0.267 501 G HA3 -0.324 3.638 3.960 0.003 0.000 0.267 501 G C 0.130 175.120 174.900 0.150 0.000 1.024 501 G CA 0.405 45.594 45.100 0.149 0.000 0.784 501 G HN 0.848 nan 8.290 nan 0.000 0.507 502 A N -0.627 122.262 122.820 0.114 0.000 2.548 502 A HA 0.619 4.941 4.320 0.003 0.000 0.247 502 A C 2.037 179.659 177.584 0.064 0.000 1.067 502 A CA 1.794 53.882 52.037 0.084 0.000 0.757 502 A CB -0.097 18.936 19.000 0.054 0.000 0.996 502 A HN 2.417 nan 8.150 nan 0.000 0.504 503 G N 1.226 110.063 108.800 0.061 0.000 2.225 503 G HA2 -0.177 3.784 3.960 0.003 0.000 0.254 503 G HA3 -0.177 3.784 3.960 0.003 0.000 0.254 503 G C 0.139 175.064 174.900 0.040 0.000 0.988 503 G CA 0.191 45.317 45.100 0.044 0.000 0.625 503 G HN 0.879 nan 8.290 nan 0.000 0.527 504 L N 1.149 122.399 121.223 0.045 0.000 2.543 504 L HA 0.299 4.640 4.340 0.003 0.000 0.285 504 L C 1.350 178.236 176.870 0.027 0.000 1.236 504 L CA 0.016 54.873 54.840 0.029 0.000 0.871 504 L CB 0.729 42.791 42.059 0.005 0.000 1.121 504 L HN 0.086 nan 8.230 nan 0.000 0.501 505 V N 4.836 124.761 119.914 0.019 0.000 2.572 505 V HA 0.073 4.194 4.120 0.003 0.000 0.291 505 V C 1.110 177.207 176.094 0.006 0.000 1.039 505 V CA -0.153 62.152 62.300 0.008 0.000 1.055 505 V CB 0.735 32.557 31.823 -0.001 0.000 0.969 505 V HN 0.786 nan 8.190 nan 0.000 0.482 506 E N 2.853 123.058 120.200 0.008 0.000 2.413 506 E HA 0.383 4.734 4.350 0.003 0.000 0.203 506 E C 0.402 176.985 176.600 -0.028 0.000 0.957 506 E CA 0.571 56.984 56.400 0.021 0.000 0.950 506 E CB 1.342 31.081 29.700 0.065 0.000 0.957 506 E HN 0.752 nan 8.360 nan 0.000 0.497 507 A N 1.015 123.811 122.820 -0.041 0.000 2.594 507 A HA 0.660 4.981 4.320 0.003 0.000 0.295 507 A C -1.257 176.287 177.584 -0.066 0.000 1.071 507 A CA -0.763 51.237 52.037 -0.063 0.000 0.685 507 A CB 1.115 20.080 19.000 -0.059 0.000 1.285 507 A HN 0.105 nan 8.150 nan 0.000 0.405 508 I N -1.658 118.865 120.570 -0.079 0.000 2.894 508 I HA 0.918 5.090 4.170 0.003 0.000 0.302 508 I C -0.668 175.405 176.117 -0.074 0.000 1.188 508 I CA -0.572 60.676 61.300 -0.086 0.000 1.014 508 I CB 2.294 40.237 38.000 -0.096 0.000 1.242 508 I HN 0.921 nan 8.210 nan 0.000 0.430 509 E N 4.251 124.405 120.200 -0.077 0.000 2.437 509 E HA 0.671 5.023 4.350 0.003 0.000 0.280 509 E C -1.831 174.725 176.600 -0.073 0.000 1.044 509 E CA -1.127 55.252 56.400 -0.034 0.000 0.826 509 E CB 2.124 31.773 29.700 -0.085 0.000 1.358 509 E HN 0.633 nan 8.360 nan 0.000 0.459 510 L N 0.997 122.195 121.223 -0.042 0.000 2.341 510 L HA 0.477 4.818 4.340 0.003 0.000 0.278 510 L C 1.270 178.115 176.870 -0.040 0.000 1.005 510 L CA -0.264 54.493 54.840 -0.139 0.000 0.818 510 L CB 1.462 43.320 42.059 -0.335 0.000 1.259 510 L HN 0.995 nan 8.230 nan 0.000 0.418 511 K N 1.378 121.753 120.400 -0.042 0.000 2.025 511 K HA -0.083 4.239 4.320 0.003 0.000 0.207 511 K C 0.963 177.579 176.600 0.028 0.000 1.049 511 K CA 1.783 58.067 56.287 -0.004 0.000 0.933 511 K CB -1.171 31.322 32.500 -0.012 0.000 0.714 511 K HN 0.841 nan 8.250 nan 0.000 0.438 512 D N 0.599 121.014 120.400 0.026 0.000 2.896 512 D HA 0.454 5.096 4.640 0.003 0.000 0.240 512 D C -0.371 175.987 176.300 0.096 0.000 1.193 512 D CA -0.114 53.911 54.000 0.041 0.000 0.983 512 D CB -0.704 40.106 40.800 0.017 0.000 1.074 512 D HN 0.758 nan 8.370 nan 0.000 0.496 513 H N -1.267 117.804 119.070 0.003 0.000 3.085 513 H HA 0.403 4.960 4.556 0.003 0.000 0.356 513 H C -1.854 173.528 175.328 0.091 0.000 1.178 513 H CA -0.906 55.166 56.048 0.040 0.000 1.214 513 H CB 2.660 32.443 29.762 0.034 0.000 1.881 513 H HN -0.044 nan 8.280 nan 0.000 0.538 514 P HA -0.081 nan 4.420 nan 0.000 0.215 514 P C -0.357 177.158 177.300 0.360 0.000 1.153 514 P CA 1.231 64.398 63.100 0.112 0.000 0.853 514 P CB 0.821 32.541 31.700 0.034 0.000 0.788 515 F N -0.871 119.337 119.950 0.430 0.000 3.240 515 F HA 0.440 4.969 4.527 0.003 0.000 0.370 515 F C -1.897 174.178 175.800 0.458 0.000 1.271 515 F CA -0.943 57.277 58.000 0.367 0.000 1.224 515 F CB 0.853 39.967 39.000 0.191 0.000 1.624 515 F HN -0.294 nan 8.300 nan 0.000 0.658 516 F N 8.195 128.026 119.950 -0.198 0.000 2.716 516 F HA 0.700 5.229 4.527 0.002 0.000 0.354 516 F C -2.221 173.389 175.800 -0.316 0.000 1.168 516 F CA -0.793 57.043 58.000 -0.274 0.000 1.045 516 F CB 1.040 39.675 39.000 -0.607 0.000 1.311 516 F HN 0.355 nan 8.300 nan 0.000 0.477 517 L N 4.785 125.740 121.223 -0.448 0.000 2.409 517 L HA 1.012 5.353 4.340 0.003 0.000 0.262 517 L C -0.977 175.724 176.870 -0.280 0.000 0.992 517 L CA -0.307 54.323 54.840 -0.350 0.000 0.817 517 L CB 2.404 44.185 42.059 -0.463 0.000 1.350 517 L HN 0.563 nan 8.230 nan 0.000 0.411 518 G N 3.621 112.304 108.800 -0.195 0.000 2.667 518 G HA2 0.692 4.653 3.960 0.003 0.000 0.298 518 G HA3 0.692 4.653 3.960 0.003 0.000 0.298 518 G C -2.245 172.561 174.900 -0.157 0.000 1.377 518 G CA -0.508 44.484 45.100 -0.180 0.000 0.964 518 G HN 0.547 nan 8.290 nan 0.000 0.493 519 L N 0.734 121.845 121.223 -0.186 0.000 2.388 519 L HA 0.473 4.815 4.340 0.003 0.000 0.264 519 L C 1.162 177.891 176.870 -0.235 0.000 0.998 519 L CA -0.745 53.994 54.840 -0.169 0.000 0.817 519 L CB 2.343 44.316 42.059 -0.142 0.000 1.338 519 L HN 0.417 nan 8.230 nan 0.000 0.414 520 Q N 0.156 119.819 119.800 -0.228 0.000 2.245 520 Q HA 0.042 4.383 4.340 0.003 0.000 0.201 520 Q C 0.767 176.466 176.000 -0.501 0.000 0.955 520 Q CA 0.603 56.191 55.803 -0.358 0.000 0.870 520 Q CB 0.297 28.886 28.738 -0.248 0.000 0.945 520 Q HN 0.835 nan 8.270 nan 0.000 0.461 521 S N -0.235 115.152 115.700 -0.521 0.000 2.686 521 S HA 0.203 4.674 4.470 0.003 0.000 0.270 521 S C 0.064 174.371 174.600 -0.487 0.000 1.194 521 S CA -0.609 57.142 58.200 -0.749 0.000 0.990 521 S CB 0.683 63.388 63.200 -0.824 0.000 1.029 521 S HN 0.196 nan 8.310 nan 0.000 0.560 522 H N 1.971 120.870 119.070 -0.287 0.000 2.680 522 H HA 0.306 4.864 4.556 0.002 0.000 0.260 522 H C -1.687 173.516 175.328 -0.209 0.000 1.328 522 H CA -1.893 53.943 56.048 -0.354 0.000 1.269 522 H CB 0.898 30.163 29.762 -0.828 0.000 1.446 522 H HN 0.573 nan 8.280 nan 0.000 0.527 523 P HA -0.092 nan 4.420 nan 0.000 0.230 523 P C 0.629 178.036 177.300 0.178 0.000 1.158 523 P CA 0.628 63.846 63.100 0.196 0.000 0.769 523 P CB 0.595 32.471 31.700 0.294 0.000 0.807 524 E N -0.240 119.995 120.200 0.057 0.000 2.110 524 E HA -0.136 4.216 4.350 0.003 0.000 0.193 524 E C 1.628 178.306 176.600 0.130 0.000 0.988 524 E CA 1.000 57.316 56.400 -0.141 0.000 0.804 524 E CB -1.250 28.328 29.700 -0.203 0.000 0.745 524 E HN 0.187 nan 8.360 nan 0.000 0.458 525 F N 1.153 121.154 119.950 0.086 0.000 2.250 525 F HA -0.090 4.438 4.527 0.002 0.000 0.301 525 F C 1.724 177.630 175.800 0.176 0.000 1.077 525 F CA 0.999 59.033 58.000 0.056 0.000 1.348 525 F CB -0.354 38.507 39.000 -0.232 0.000 1.040 525 F HN 0.002 nan 8.300 nan 0.000 0.509 526 K N -0.787 119.808 120.400 0.325 0.000 2.361 526 K HA 0.080 4.401 4.320 0.003 0.000 0.194 526 K C 0.893 177.617 176.600 0.207 0.000 1.032 526 K CA -0.004 56.437 56.287 0.257 0.000 1.048 526 K CB 0.289 32.917 32.500 0.213 0.000 0.842 526 K HN -0.046 nan 8.250 nan 0.000 0.526 527 S N 1.612 117.434 115.700 0.204 0.000 2.537 527 S HA 0.079 4.550 4.470 0.003 0.000 0.286 527 S C -0.317 174.409 174.600 0.210 0.000 1.299 527 S CA -0.141 58.182 58.200 0.205 0.000 1.067 527 S CB 0.273 63.581 63.200 0.180 0.000 0.864 527 S HN 0.102 nan 8.310 nan 0.000 0.494 528 R N 5.031 125.509 120.500 -0.036 0.000 2.670 528 R HA 0.348 4.689 4.340 0.003 0.000 0.289 528 R C -2.022 173.819 176.300 -0.765 0.000 0.965 528 R CA -2.373 53.537 56.100 -0.318 0.000 0.899 528 R CB 0.875 31.045 30.300 -0.216 0.000 1.173 528 R HN 0.377 nan 8.270 nan 0.000 0.456 529 P HA -0.174 nan 4.420 nan 0.000 0.219 529 P C 1.412 178.408 177.300 -0.507 0.000 1.146 529 P CA 1.568 64.225 63.100 -0.739 0.000 0.808 529 P CB 0.098 31.479 31.700 -0.532 0.000 0.779 530 M N -1.011 118.026 119.600 -0.938 0.000 2.447 530 M HA 0.104 4.586 4.480 0.003 0.000 0.264 530 M C 1.588 177.565 176.300 -0.538 0.000 1.095 530 M CA 1.209 55.800 55.300 -1.180 0.000 1.125 530 M CB -1.015 30.813 32.600 -1.287 0.000 1.389 530 M HN -0.130 nan 8.290 nan 0.000 0.459 531 R N 0.912 121.191 120.500 -0.368 0.000 2.721 531 R HA 0.386 4.727 4.340 0.003 0.000 0.272 531 R C -3.249 172.984 176.300 -0.110 0.000 1.721 531 R CA -1.723 54.258 56.100 -0.197 0.000 1.325 531 R CB 1.299 31.503 30.300 -0.160 0.000 1.271 531 R HN 0.224 nan 8.270 nan 0.000 0.556 532 P HA -0.025 nan 4.420 nan 0.000 0.270 532 P C -0.635 176.688 177.300 0.039 0.000 1.223 532 P CA -0.123 63.005 63.100 0.047 0.000 0.785 532 P CB 1.036 32.782 31.700 0.078 0.000 0.923 533 S N 2.894 118.650 115.700 0.093 0.000 2.481 533 S HA 0.174 4.645 4.470 0.003 0.000 0.276 533 S C -1.186 173.450 174.600 0.060 0.000 1.247 533 S CA -1.597 56.663 58.200 0.099 0.000 1.053 533 S CB -0.243 63.094 63.200 0.228 0.000 0.925 533 S HN 0.286 nan 8.310 nan 0.000 0.491 534 P HA -0.109 nan 4.420 nan 0.000 0.216 534 P C -1.630 175.625 177.300 -0.075 0.000 1.154 534 P CA 1.562 64.512 63.100 -0.251 0.000 0.865 534 P CB -1.259 30.028 31.700 -0.689 0.000 0.789 535 P HA -0.136 nan 4.420 nan 0.000 0.216 535 P C 1.446 178.739 177.300 -0.012 0.000 1.150 535 P CA 1.343 64.468 63.100 0.043 0.000 0.843 535 P CB -0.577 31.116 31.700 -0.012 0.000 0.787 536 F N -1.684 118.284 119.950 0.031 0.000 2.335 536 F HA -0.078 4.450 4.527 0.002 0.000 0.296 536 F C 2.297 178.127 175.800 0.049 0.000 1.091 536 F CA 0.721 58.749 58.000 0.047 0.000 1.399 536 F CB -1.344 37.662 39.000 0.010 0.000 1.067 536 F HN -0.298 nan 8.300 nan 0.000 0.520 537 V N 0.077 120.101 119.914 0.183 0.000 2.287 537 V HA -0.259 3.862 4.120 0.003 0.000 0.248 537 V C 2.641 178.734 176.094 -0.001 0.000 1.053 537 V CA 2.167 64.513 62.300 0.076 0.000 1.027 537 V CB -1.460 30.384 31.823 0.035 0.000 0.646 537 V HN 0.464 nan 8.190 nan 0.000 0.447 538 G N -1.135 107.671 108.800 0.009 0.000 2.402 538 G HA2 -0.287 3.675 3.960 0.003 0.000 0.216 538 G HA3 -0.287 3.675 3.960 0.003 0.000 0.216 538 G C 1.539 176.087 174.900 -0.588 0.000 1.162 538 G CA 0.860 45.919 45.100 -0.069 0.000 0.777 538 G HN 0.475 nan 8.290 nan 0.000 0.539 539 F N 1.559 121.059 119.950 -0.750 0.000 2.095 539 F HA -0.124 4.405 4.527 0.003 0.000 0.298 539 F C 2.630 178.085 175.800 -0.575 0.000 1.104 539 F CA 1.559 58.964 58.000 -0.992 0.000 1.232 539 F CB -0.381 38.323 39.000 -0.492 0.000 0.987 539 F HN 0.007 nan 8.300 nan 0.000 0.475 540 V N 0.709 120.421 119.914 -0.336 0.000 2.358 540 V HA -0.293 3.829 4.120 0.003 0.000 0.246 540 V C 2.425 178.330 176.094 -0.315 0.000 1.047 540 V CA 2.173 64.279 62.300 -0.323 0.000 1.035 540 V CB -0.838 30.933 31.823 -0.086 0.000 0.658 540 V HN 0.494 nan 8.190 nan 0.000 0.452 541 E N 0.635 120.680 120.200 -0.257 0.000 2.077 541 E HA -0.245 4.106 4.350 0.003 0.000 0.193 541 E C 2.198 178.665 176.600 -0.222 0.000 0.989 541 E CA 1.550 57.838 56.400 -0.186 0.000 0.800 541 E CB -0.238 29.389 29.700 -0.121 0.000 0.746 541 E HN 0.548 nan 8.360 nan 0.000 0.452 542 A N 1.219 123.815 122.820 -0.373 0.000 1.930 542 A HA -0.046 4.276 4.320 0.003 0.000 0.217 542 A C 2.409 179.842 177.584 -0.252 0.000 1.175 542 A CA 1.705 53.566 52.037 -0.293 0.000 0.627 542 A CB -0.759 17.962 19.000 -0.466 0.000 0.815 542 A HN 0.440 nan 8.150 nan 0.000 0.443 543 A N 0.029 122.586 122.820 -0.438 0.000 1.865 543 A HA -0.110 4.212 4.320 0.003 0.000 0.217 543 A C 2.173 179.676 177.584 -0.136 0.000 1.191 543 A CA 1.618 53.440 52.037 -0.359 0.000 0.623 543 A CB -0.769 17.898 19.000 -0.555 0.000 0.826 543 A HN 0.471 nan 8.150 nan 0.000 0.444 544 L N -0.696 120.437 121.223 -0.150 0.000 2.013 544 L HA -0.274 4.068 4.340 0.003 0.000 0.212 544 L C 3.138 179.982 176.870 -0.043 0.000 1.073 544 L CA 1.308 56.100 54.840 -0.080 0.000 0.753 544 L CB -0.677 41.333 42.059 -0.082 0.000 0.890 544 L HN 0.470 nan 8.230 nan 0.000 0.432 545 A N -0.534 122.259 122.820 -0.046 0.000 1.859 545 A HA -0.337 3.985 4.320 0.003 0.000 0.217 545 A C 2.217 179.803 177.584 0.003 0.000 1.198 545 A CA 2.092 54.118 52.037 -0.019 0.000 0.629 545 A CB -1.225 17.771 19.000 -0.008 0.000 0.830 545 A HN 0.499 nan 8.150 nan 0.000 0.446 546 Y N 0.309 120.555 120.300 -0.091 0.000 2.151 546 Y HA -0.294 4.258 4.550 0.003 0.000 0.284 546 Y C 2.465 178.327 175.900 -0.063 0.000 1.166 546 Y CA 2.482 60.537 58.100 -0.075 0.000 1.163 546 Y CB -0.310 38.098 38.460 -0.088 0.000 0.974 546 Y HN 0.500 nan 8.280 nan 0.000 0.511 547 Q N 0.482 120.306 119.800 0.039 0.000 2.541 547 Q HA -0.074 4.268 4.340 0.003 0.000 0.215 547 Q C -0.422 175.521 176.000 -0.095 0.000 0.977 547 Q CA 0.790 56.577 55.803 -0.028 0.000 0.934 547 Q CB 0.112 28.860 28.738 0.017 0.000 0.988 547 Q HN 0.487 nan 8.270 nan 0.000 0.521 548 E N 0.000 120.135 120.200 -0.108 0.000 2.725 548 E HA 0.000 4.352 4.350 0.003 0.000 0.291 548 E CA 0.000 56.343 56.400 -0.095 0.000 0.976 548 E CB 0.000 29.633 29.700 -0.112 0.000 0.812 548 E HN 0.000 nan 8.360 nan 0.000 0.440