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 2bvh_1_C DATA FIRST_RESID 5 DATA SEQUENCE KLATPLSIQG EVIYPDDSGF DAIANIWDGR HLQRPSLIAR CLSAGDVAKS DATA SEQUENCE VRYACDNGLE ISVRSGGHNP NGYATNDGGI VLDLRLMNSI HIDTAGSRAR DATA SEQUENCE IGGGVISGDL VKEAAKFGLA AVTGMHPKVG FCGLALNGGV GFLTPKYGLA DATA SEQUENCE SDNILGATLV TATGDVIYCS DDERPELFWA VRGAGPNFGV VTEVEVQLYE DATA SEQUENCE LPRKMLAGFI TWAPSVSELA GLLTSLLDAL NEMADHIYPS VFVGVDENRA DATA SEQUENCE PSVTVCVGHL GGLDIAERDI ARLRGLGRTV SDSIAVRSYD EVVALNAEVG DATA SEQUENCE SFEDGMSNLW IDREIAMPNA RFAEAIAGNL DKFVSEPASG GSVKLEIEGM DATA SEQUENCE PFGNPKRTPA RHRDAMGVLA LAEWSGAAPG SEKYPELARE LDAALLRAGV DATA SEQUENCE TTSGFGLLNN NSEVTAEMVA EVYKPEVYSR LAAVKREYDP ENRFRHNYNI DATA SEQUENCE DPE 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.490 176.600 -0.183 0.000 0.988 5 K CA 0.000 55.958 56.287 -0.548 0.000 0.838 5 K CB 0.000 32.258 32.500 -0.404 0.000 1.064 6 L N 1.623 122.817 121.223 -0.048 0.000 2.375 6 L HA 0.713 5.053 4.340 0.000 0.000 0.271 6 L C 1.534 178.429 176.870 0.041 0.000 1.107 6 L CA 0.514 55.395 54.840 0.069 0.000 0.806 6 L CB 1.447 43.645 42.059 0.232 0.000 1.146 6 L HN 0.340 nan 8.230 nan 0.000 0.447 7 A N 2.310 125.149 122.820 0.031 0.000 1.884 7 A HA -0.153 4.167 4.320 0.000 0.000 0.219 7 A C 1.201 178.810 177.584 0.041 0.000 1.197 7 A CA 2.256 54.305 52.037 0.021 0.000 0.637 7 A CB -0.867 18.140 19.000 0.013 0.000 0.827 7 A HN 0.735 nan 8.150 nan 0.000 0.450 8 T N 2.063 116.658 114.554 0.068 0.000 3.375 8 T HA 0.372 4.722 4.350 0.000 0.000 0.363 8 T C -2.422 172.380 174.700 0.170 0.000 1.837 8 T CA -1.052 61.100 62.100 0.088 0.000 1.445 8 T CB 0.690 69.600 68.868 0.069 0.000 1.089 8 T HN 0.422 nan 8.240 nan 0.000 0.722 9 P HA 0.016 nan 4.420 nan 0.000 0.272 9 P C -0.118 177.304 177.300 0.203 0.000 1.239 9 P CA -0.651 62.584 63.100 0.226 0.000 0.807 9 P CB 0.826 32.600 31.700 0.122 0.000 0.951 10 L N 0.601 121.854 121.223 0.050 0.000 2.319 10 L HA 0.319 4.659 4.340 0.000 0.000 0.280 10 L C 0.166 177.015 176.870 -0.035 0.000 1.099 10 L CA 0.403 55.141 54.840 -0.169 0.000 0.828 10 L CB 0.384 42.067 42.059 -0.628 0.000 1.150 10 L HN 0.359 nan 8.230 nan 0.000 0.442 11 S N 6.512 122.208 115.700 -0.007 0.000 2.640 11 S HA 0.790 5.260 4.470 0.000 0.000 0.320 11 S C -0.660 173.941 174.600 0.002 0.000 1.097 11 S CA -0.654 57.553 58.200 0.012 0.000 1.092 11 S CB 0.076 63.296 63.200 0.034 0.000 0.988 11 S HN 0.582 nan 8.310 nan 0.000 0.470 12 I N 1.489 122.055 120.570 -0.006 0.000 3.102 12 I HA 0.454 4.624 4.170 0.000 0.000 0.310 12 I C 0.958 177.075 176.117 -0.000 0.000 1.246 12 I CA -1.086 60.211 61.300 -0.005 0.000 0.979 12 I CB 1.369 39.357 38.000 -0.021 0.000 1.267 12 I HN 0.396 nan 8.210 nan 0.000 0.451 13 Q N 1.832 121.634 119.800 0.003 0.000 2.112 13 Q HA -0.035 4.305 4.340 0.000 0.000 0.206 13 Q C 1.217 177.218 176.000 0.001 0.000 0.987 13 Q CA 1.909 57.715 55.803 0.005 0.000 0.858 13 Q CB -0.250 28.491 28.738 0.006 0.000 0.905 13 Q HN 0.894 nan 8.270 nan 0.000 0.420 14 G N 0.784 109.581 108.800 -0.005 0.000 2.653 14 G HA2 0.070 4.030 3.960 0.000 0.000 0.265 14 G HA3 0.070 4.030 3.960 0.000 0.000 0.265 14 G C -0.293 174.598 174.900 -0.015 0.000 1.237 14 G CA -0.531 44.563 45.100 -0.011 0.000 0.946 14 G HN 0.020 nan 8.290 nan 0.000 0.522 15 E N -0.832 119.358 120.200 -0.018 0.000 2.301 15 E HA 0.308 4.658 4.350 0.000 0.000 0.275 15 E C -0.481 176.088 176.600 -0.052 0.000 1.030 15 E CA -0.385 56.005 56.400 -0.017 0.000 0.852 15 E CB 1.845 31.542 29.700 -0.006 0.000 1.060 15 E HN 0.058 nan 8.360 nan 0.000 0.401 16 V N 5.008 124.887 119.914 -0.058 0.000 2.293 16 V HA 0.303 4.423 4.120 0.000 0.000 0.275 16 V C 0.240 176.204 176.094 -0.217 0.000 1.021 16 V CA -0.507 61.688 62.300 -0.176 0.000 0.815 16 V CB 0.264 31.981 31.823 -0.178 0.000 1.025 16 V HN 0.474 nan 8.190 nan 0.000 0.448 17 I N 5.195 125.644 120.570 -0.203 0.000 2.342 17 I HA 0.411 4.581 4.170 0.000 0.000 0.291 17 I C -0.398 175.661 176.117 -0.096 0.000 1.010 17 I CA -0.340 60.931 61.300 -0.047 0.000 1.308 17 I CB 0.706 38.738 38.000 0.054 0.000 1.400 17 I HN 0.421 nan 8.210 nan 0.000 0.488 18 Y N 6.460 126.869 120.300 0.181 0.000 2.488 18 Y HA 0.291 4.841 4.550 0.000 0.000 0.325 18 Y C -1.509 174.223 175.900 -0.279 0.000 1.204 18 Y CA -1.878 56.255 58.100 0.054 0.000 1.229 18 Y CB 0.285 38.733 38.460 -0.020 0.000 1.274 18 Y HN 0.407 nan 8.280 nan 0.000 0.493 19 P HA -0.214 nan 4.420 nan 0.000 0.218 19 P C 0.514 177.395 177.300 -0.698 0.000 1.152 19 P CA 1.947 64.159 63.100 -1.480 0.000 0.857 19 P CB 0.306 31.573 31.700 -0.722 0.000 0.787 20 D N -1.775 118.466 120.400 -0.265 0.000 2.348 20 D HA -0.009 4.632 4.640 0.000 0.000 0.211 20 D C 0.206 176.499 176.300 -0.011 0.000 0.998 20 D CA 0.567 54.502 54.000 -0.110 0.000 0.873 20 D CB -0.371 40.388 40.800 -0.068 0.000 0.925 20 D HN 0.190 nan 8.370 nan 0.000 0.524 21 D N 0.312 120.745 120.400 0.055 0.000 2.423 21 D HA -0.068 4.572 4.640 0.000 0.000 0.238 21 D C 1.388 177.760 176.300 0.120 0.000 1.142 21 D CA 0.131 54.199 54.000 0.113 0.000 0.884 21 D CB 1.524 42.429 40.800 0.176 0.000 1.199 21 D HN -0.158 nan 8.370 nan 0.000 0.438 22 S N 1.746 117.499 115.700 0.087 0.000 2.380 22 S HA -0.182 4.288 4.470 0.000 0.000 0.229 22 S C 1.901 176.557 174.600 0.093 0.000 1.043 22 S CA 2.009 60.254 58.200 0.075 0.000 1.038 22 S CB -0.271 62.960 63.200 0.053 0.000 0.872 22 S HN 0.636 nan 8.310 nan 0.000 0.456 23 G N -0.396 108.465 108.800 0.102 0.000 2.464 23 G HA2 0.001 3.961 3.960 0.000 0.000 0.217 23 G HA3 0.001 3.961 3.960 0.000 0.000 0.217 23 G C 1.000 175.965 174.900 0.109 0.000 1.138 23 G CA 0.483 45.634 45.100 0.085 0.000 0.793 23 G HN 0.516 nan 8.290 nan 0.000 0.539 24 F N 2.538 122.492 119.950 0.007 0.000 2.304 24 F HA -0.370 4.157 4.527 0.000 0.000 0.297 24 F C 2.372 178.170 175.800 -0.005 0.000 1.211 24 F CA 2.600 60.600 58.000 -0.000 0.000 1.301 24 F CB -0.410 38.598 39.000 0.013 0.000 0.896 24 F HN 0.173 nan 8.300 nan 0.000 0.568 25 D N 0.093 120.655 120.400 0.270 0.000 2.244 25 D HA -0.292 4.348 4.640 0.000 0.000 0.197 25 D C 2.084 178.356 176.300 -0.048 0.000 1.006 25 D CA 1.772 55.833 54.000 0.103 0.000 0.888 25 D CB -0.700 40.200 40.800 0.166 0.000 0.912 25 D HN 0.467 nan 8.370 nan 0.000 0.452 26 A N 0.551 123.350 122.820 -0.036 0.000 1.930 26 A HA -0.065 4.255 4.320 0.000 0.000 0.215 26 A C 2.239 179.766 177.584 -0.094 0.000 1.176 26 A CA 0.428 52.437 52.037 -0.048 0.000 0.632 26 A CB -0.118 18.872 19.000 -0.015 0.000 0.819 26 A HN 0.080 nan 8.150 nan 0.000 0.445 27 I N 0.093 120.577 120.570 -0.144 0.000 2.233 27 I HA -0.155 4.015 4.170 0.000 0.000 0.243 27 I C 2.729 178.697 176.117 -0.249 0.000 1.093 27 I CA 1.504 62.699 61.300 -0.175 0.000 1.380 27 I CB -1.513 36.372 38.000 -0.192 0.000 1.067 27 I HN 0.331 nan 8.210 nan 0.000 0.413 28 A N 0.673 123.238 122.820 -0.425 0.000 2.239 28 A HA -0.096 4.224 4.320 0.000 0.000 0.209 28 A C 1.189 178.633 177.584 -0.233 0.000 1.171 28 A CA 0.296 52.064 52.037 -0.449 0.000 0.768 28 A CB -0.795 17.690 19.000 -0.859 0.000 0.790 28 A HN 0.427 nan 8.150 nan 0.000 0.478 29 N N 0.846 119.448 118.700 -0.164 0.000 2.499 29 N HA 0.426 5.166 4.740 0.000 0.000 0.281 29 N C -0.469 174.992 175.510 -0.082 0.000 1.098 29 N CA -0.132 52.855 53.050 -0.104 0.000 0.979 29 N CB 0.748 39.187 38.487 -0.079 0.000 1.121 29 N HN 0.469 nan 8.380 nan 0.000 0.466 30 I N -0.179 120.347 120.570 -0.073 0.000 2.846 30 I HA 0.345 4.516 4.170 0.000 0.000 0.307 30 I C 1.233 177.319 176.117 -0.051 0.000 1.053 30 I CA -1.066 60.206 61.300 -0.045 0.000 1.050 30 I CB 1.420 39.395 38.000 -0.042 0.000 1.239 30 I HN 0.598 nan 8.210 nan 0.000 0.439 31 W N 3.034 124.185 121.300 -0.249 0.000 2.290 31 W HA -0.266 4.394 4.660 0.000 0.000 0.323 31 W C 0.890 177.244 176.519 -0.275 0.000 1.260 31 W CA 2.016 59.156 57.345 -0.342 0.000 1.266 31 W CB -0.125 28.918 29.460 -0.695 0.000 1.149 31 W HN 0.767 nan 8.180 nan 0.000 0.482 32 D N -1.379 118.866 120.400 -0.258 0.000 2.308 32 D HA 0.282 4.922 4.640 0.000 0.000 0.251 32 D C 1.519 177.580 176.300 -0.399 0.000 1.127 32 D CA 0.680 54.377 54.000 -0.504 0.000 0.876 32 D CB 1.355 42.023 40.800 -0.221 0.000 1.176 32 D HN 0.080 nan 8.370 nan 0.000 0.446 33 G N 3.323 111.811 108.800 -0.519 0.000 2.448 33 G HA2 -0.221 3.739 3.960 0.000 0.000 0.218 33 G HA3 -0.221 3.739 3.960 0.000 0.000 0.218 33 G C 1.405 176.099 174.900 -0.343 0.000 1.135 33 G CA 0.189 45.053 45.100 -0.394 0.000 0.784 33 G HN 0.519 nan 8.290 nan 0.000 0.543 34 R N -0.177 120.059 120.500 -0.441 0.000 2.103 34 R HA -0.071 4.269 4.340 0.000 0.000 0.242 34 R C 0.340 176.357 176.300 -0.472 0.000 1.142 34 R CA 0.944 56.762 56.100 -0.470 0.000 0.960 34 R CB -0.362 29.565 30.300 -0.621 0.000 0.858 34 R HN 0.380 nan 8.270 nan 0.000 0.439 35 H N 0.557 119.534 119.070 -0.156 0.000 2.723 35 H HA 0.095 4.651 4.556 0.000 0.000 0.294 35 H C 0.903 176.174 175.328 -0.094 0.000 1.079 35 H CA 0.165 56.146 56.048 -0.113 0.000 1.411 35 H CB 1.022 30.709 29.762 -0.125 0.000 1.439 35 H HN 0.130 nan 8.280 nan 0.000 0.474 36 L N 1.700 122.935 121.223 0.020 0.000 2.609 36 L HA 0.015 4.355 4.340 0.000 0.000 0.230 36 L C 1.198 178.087 176.870 0.032 0.000 1.087 36 L CA -0.138 54.707 54.840 0.008 0.000 0.874 36 L CB 0.094 42.148 42.059 -0.010 0.000 1.114 36 L HN 0.504 nan 8.230 nan 0.000 0.488 37 Q N 2.352 122.179 119.800 0.044 0.000 2.354 37 Q HA 0.051 4.391 4.340 0.000 0.000 0.310 37 Q C -0.593 175.433 176.000 0.044 0.000 1.104 37 Q CA 0.728 56.557 55.803 0.044 0.000 0.968 37 Q CB 0.834 29.596 28.738 0.041 0.000 1.251 37 Q HN 0.179 nan 8.270 nan 0.000 0.411 38 R N 2.001 122.543 120.500 0.071 0.000 2.673 38 R HA 0.520 4.860 4.340 0.000 0.000 0.281 38 R C -2.469 173.916 176.300 0.141 0.000 0.991 38 R CA -2.015 54.153 56.100 0.113 0.000 0.896 38 R CB 2.001 32.424 30.300 0.205 0.000 1.201 38 R HN 0.593 nan 8.270 nan 0.000 0.457 39 P HA -0.006 nan 4.420 nan 0.000 0.271 39 P C 0.464 177.904 177.300 0.233 0.000 1.233 39 P CA 0.007 63.199 63.100 0.153 0.000 0.789 39 P CB 0.643 32.404 31.700 0.101 0.000 0.951 40 S N 0.758 116.559 115.700 0.168 0.000 2.558 40 S HA 0.200 4.670 4.470 0.000 0.000 0.217 40 S C 0.841 175.551 174.600 0.184 0.000 0.975 40 S CA 0.008 58.299 58.200 0.152 0.000 0.912 40 S CB -0.979 62.304 63.200 0.137 0.000 0.776 40 S HN 0.587 nan 8.310 nan 0.000 0.526 41 L N -2.951 118.381 121.223 0.182 0.000 3.002 41 L HA 0.652 4.992 4.340 0.000 0.000 0.267 41 L C -2.178 174.696 176.870 0.007 0.000 0.997 41 L CA -1.321 53.545 54.840 0.044 0.000 0.961 41 L CB 1.098 43.049 42.059 -0.181 0.000 1.502 41 L HN -0.027 nan 8.230 nan 0.000 0.408 42 I N 1.383 121.886 120.570 -0.111 0.000 2.534 42 I HA 0.670 4.841 4.170 0.000 0.000 0.288 42 I C -0.278 175.738 176.117 -0.168 0.000 1.077 42 I CA -0.667 60.558 61.300 -0.125 0.000 1.051 42 I CB 2.133 40.038 38.000 -0.160 0.000 1.234 42 I HN 0.829 nan 8.210 nan 0.000 0.425 43 A N 6.293 129.034 122.820 -0.133 0.000 2.253 43 A HA 0.550 4.870 4.320 0.000 0.000 0.316 43 A C -0.007 177.530 177.584 -0.079 0.000 1.327 43 A CA -0.568 51.394 52.037 -0.125 0.000 0.917 43 A CB 0.183 19.111 19.000 -0.120 0.000 1.162 43 A HN 0.742 nan 8.150 nan 0.000 0.535 44 R N 2.305 122.762 120.500 -0.072 0.000 3.266 44 R HA 0.187 4.527 4.340 0.000 0.000 0.224 44 R C -0.631 175.650 176.300 -0.031 0.000 1.525 44 R CA -0.269 55.803 56.100 -0.048 0.000 1.364 44 R CB -0.263 30.011 30.300 -0.044 0.000 1.276 44 R HN 0.780 nan 8.270 nan 0.000 0.660 45 C N 2.183 121.468 119.300 -0.025 0.000 2.634 45 C HA 0.009 4.469 4.460 0.000 0.000 0.417 45 C C 1.857 176.845 174.990 -0.004 0.000 1.334 45 C CA -0.152 58.859 59.018 -0.012 0.000 1.829 45 C CB -0.105 27.633 27.740 -0.002 0.000 2.665 45 C HN 0.805 nan 8.230 nan 0.000 0.614 46 L N 2.434 123.657 121.223 -0.000 0.000 2.858 46 L HA 0.193 4.533 4.340 0.000 0.000 0.251 46 L C 0.858 177.733 176.870 0.008 0.000 1.149 46 L CA 0.396 55.238 54.840 0.004 0.000 0.955 46 L CB -0.223 41.838 42.059 0.003 0.000 1.289 46 L HN 0.915 nan 8.230 nan 0.000 0.542 47 S N -2.727 112.979 115.700 0.011 0.000 2.615 47 S HA 0.485 4.956 4.470 0.000 0.000 0.268 47 S C 0.430 175.043 174.600 0.022 0.000 1.146 47 S CA -0.144 58.065 58.200 0.016 0.000 0.818 47 S CB 1.363 64.572 63.200 0.014 0.000 1.111 47 S HN -0.064 nan 8.310 nan 0.000 0.465 48 A N 1.073 123.909 122.820 0.027 0.000 2.024 48 A HA 0.191 4.511 4.320 0.000 0.000 0.220 48 A C 2.068 179.675 177.584 0.039 0.000 1.164 48 A CA 2.212 54.270 52.037 0.036 0.000 0.643 48 A CB -1.709 17.316 19.000 0.041 0.000 0.806 48 A HN 1.533 nan 8.150 nan 0.000 0.451 49 G N 0.091 108.911 108.800 0.032 0.000 2.459 49 G HA2 -0.283 3.677 3.960 0.000 0.000 0.217 49 G HA3 -0.283 3.677 3.960 0.000 0.000 0.217 49 G C 1.152 176.072 174.900 0.033 0.000 1.183 49 G CA 1.248 46.367 45.100 0.032 0.000 0.776 49 G HN 0.466 nan 8.290 nan 0.000 0.552 50 D N 0.211 120.626 120.400 0.024 0.000 2.092 50 D HA -0.113 4.528 4.640 0.000 0.000 0.193 50 D C 2.816 179.133 176.300 0.028 0.000 0.994 50 D CA 1.114 55.125 54.000 0.018 0.000 0.828 50 D CB -0.780 40.024 40.800 0.006 0.000 0.963 50 D HN 0.179 nan 8.370 nan 0.000 0.450 51 V N 1.535 121.470 119.914 0.036 0.000 2.287 51 V HA -0.287 3.833 4.120 0.000 0.000 0.248 51 V C 2.544 178.686 176.094 0.079 0.000 1.053 51 V CA 1.943 64.276 62.300 0.055 0.000 1.027 51 V CB -0.981 30.874 31.823 0.054 0.000 0.646 51 V HN 0.211 nan 8.190 nan 0.000 0.447 52 A N -0.045 122.819 122.820 0.073 0.000 1.873 52 A HA -0.292 4.028 4.320 0.000 0.000 0.218 52 A C 2.304 179.939 177.584 0.085 0.000 1.193 52 A CA 2.334 54.421 52.037 0.084 0.000 0.629 52 A CB -0.513 18.529 19.000 0.070 0.000 0.826 52 A HN 0.574 nan 8.150 nan 0.000 0.447 53 K N -0.170 120.273 120.400 0.071 0.000 2.057 53 K HA -0.077 4.243 4.320 0.000 0.000 0.207 53 K C 2.364 179.028 176.600 0.105 0.000 1.049 53 K CA 1.494 57.828 56.287 0.079 0.000 0.931 53 K CB -0.256 32.278 32.500 0.057 0.000 0.714 53 K HN 0.459 nan 8.250 nan 0.000 0.440 54 S N 1.215 116.962 115.700 0.078 0.000 2.368 54 S HA -0.123 4.347 4.470 0.000 0.000 0.225 54 S C 2.282 176.974 174.600 0.153 0.000 1.030 54 S CA 1.545 59.797 58.200 0.087 0.000 0.999 54 S CB -0.463 62.758 63.200 0.034 0.000 0.844 54 S HN 0.330 nan 8.310 nan 0.000 0.459 55 V N 0.748 120.741 119.914 0.131 0.000 2.490 55 V HA -0.080 4.040 4.120 0.000 0.000 0.250 55 V C 2.071 178.217 176.094 0.088 0.000 1.061 55 V CA 1.513 63.882 62.300 0.114 0.000 1.064 55 V CB -0.740 31.169 31.823 0.143 0.000 0.670 55 V HN 0.217 nan 8.190 nan 0.000 0.461 56 R N -0.998 119.566 120.500 0.107 0.000 2.062 56 R HA -0.008 4.332 4.340 0.000 0.000 0.229 56 R C 2.281 178.641 176.300 0.100 0.000 1.128 56 R CA 1.850 58.000 56.100 0.082 0.000 0.960 56 R CB -0.787 29.563 30.300 0.084 0.000 0.855 56 R HN 0.663 nan 8.270 nan 0.000 0.432 57 Y N 1.179 121.493 120.300 0.024 0.000 2.102 57 Y HA -0.343 4.207 4.550 0.000 0.000 0.280 57 Y C 2.208 178.120 175.900 0.020 0.000 1.178 57 Y CA 1.762 59.879 58.100 0.027 0.000 1.146 57 Y CB -0.455 38.027 38.460 0.037 0.000 0.968 57 Y HN 0.117 nan 8.280 nan 0.000 0.504 58 A N -0.807 122.139 122.820 0.209 0.000 1.917 58 A HA -0.304 4.016 4.320 0.000 0.000 0.219 58 A C 2.505 180.070 177.584 -0.030 0.000 1.182 58 A CA 1.859 53.953 52.037 0.095 0.000 0.633 58 A CB -1.820 17.231 19.000 0.086 0.000 0.819 58 A HN 0.744 nan 8.150 nan 0.000 0.448 59 C N -0.428 118.852 119.300 -0.033 0.000 2.473 59 C HA -0.095 4.365 4.460 0.000 0.000 0.279 59 C C 2.345 177.286 174.990 -0.081 0.000 1.250 59 C CA 1.414 60.398 59.018 -0.057 0.000 1.713 59 C CB -1.291 26.424 27.740 -0.041 0.000 2.066 59 C HN 0.666 nan 8.230 nan 0.000 0.474 60 D N 0.498 120.841 120.400 -0.095 0.000 2.190 60 D HA -0.116 4.524 4.640 0.000 0.000 0.200 60 D C 1.327 177.527 176.300 -0.168 0.000 0.992 60 D CA 1.276 55.205 54.000 -0.118 0.000 0.854 60 D CB -0.575 40.152 40.800 -0.122 0.000 0.936 60 D HN 0.617 nan 8.370 nan 0.000 0.462 61 N N -0.293 118.256 118.700 -0.252 0.000 2.230 61 N HA 0.095 4.835 4.740 0.000 0.000 0.202 61 N C 0.739 176.172 175.510 -0.128 0.000 1.119 61 N CA 0.375 53.277 53.050 -0.248 0.000 0.851 61 N CB 1.156 39.361 38.487 -0.469 0.000 0.990 61 N HN 0.098 nan 8.380 nan 0.000 0.497 62 G N 1.546 110.291 108.800 -0.093 0.000 2.366 62 G HA2 -0.264 3.696 3.960 0.000 0.000 0.299 62 G HA3 -0.264 3.696 3.960 0.000 0.000 0.299 62 G C -0.282 174.602 174.900 -0.026 0.000 1.020 62 G CA 0.226 45.295 45.100 -0.052 0.000 1.026 62 G HN 0.270 nan 8.290 nan 0.000 0.512 63 L N -0.488 120.727 121.223 -0.015 0.000 2.322 63 L HA 0.466 4.806 4.340 0.000 0.000 0.281 63 L C 0.810 177.701 176.870 0.034 0.000 1.014 63 L CA -0.933 53.925 54.840 0.030 0.000 0.815 63 L CB 1.726 43.831 42.059 0.077 0.000 1.247 63 L HN 0.264 nan 8.230 nan 0.000 0.421 64 E N 2.644 122.877 120.200 0.056 0.000 2.452 64 E HA 0.164 4.514 4.350 0.000 0.000 0.261 64 E C -0.824 175.834 176.600 0.097 0.000 0.987 64 E CA 0.016 56.464 56.400 0.078 0.000 0.926 64 E CB 0.759 30.549 29.700 0.150 0.000 0.934 64 E HN 0.352 nan 8.360 nan 0.000 0.452 65 I N 2.585 123.206 120.570 0.084 0.000 2.359 65 I HA 0.203 4.373 4.170 0.000 0.000 0.294 65 I C -0.003 176.244 176.117 0.216 0.000 0.987 65 I CA -0.337 61.029 61.300 0.109 0.000 1.225 65 I CB 1.764 39.778 38.000 0.024 0.000 1.366 65 I HN 0.306 nan 8.210 nan 0.000 0.466 66 S N 4.208 120.000 115.700 0.155 0.000 2.536 66 S HA 0.641 5.111 4.470 0.000 0.000 0.287 66 S C -0.674 173.975 174.600 0.082 0.000 1.101 66 S CA -0.563 57.704 58.200 0.111 0.000 0.950 66 S CB 2.519 65.704 63.200 -0.024 0.000 1.056 66 S HN 0.275 nan 8.310 nan 0.000 0.481 67 V N 3.359 123.308 119.914 0.058 0.000 2.555 67 V HA 0.683 4.803 4.120 0.000 0.000 0.302 67 V C -0.134 175.956 176.094 -0.006 0.000 1.038 67 V CA -0.750 61.563 62.300 0.021 0.000 0.887 67 V CB 1.807 33.624 31.823 -0.010 0.000 0.991 67 V HN 0.727 nan 8.190 nan 0.000 0.434 68 R N 2.310 122.802 120.500 -0.014 0.000 2.628 68 R HA 0.684 5.024 4.340 0.000 0.000 0.288 68 R C -0.567 175.726 176.300 -0.012 0.000 0.980 68 R CA -0.117 55.973 56.100 -0.018 0.000 0.891 68 R CB 2.487 32.767 30.300 -0.032 0.000 1.188 68 R HN 0.798 nan 8.270 nan 0.000 0.450 69 S N 1.389 117.088 115.700 -0.002 0.000 3.517 69 S HA 0.215 4.685 4.470 0.000 0.000 0.173 69 S C 1.126 175.744 174.600 0.030 0.000 0.785 69 S CA 0.464 58.671 58.200 0.012 0.000 0.932 69 S CB 0.058 63.265 63.200 0.012 0.000 1.213 69 S HN 0.743 nan 8.310 nan 0.000 0.772 70 G N 0.105 108.932 108.800 0.046 0.000 2.838 70 G HA2 0.389 4.350 3.960 0.000 0.000 0.210 70 G HA3 0.389 4.350 3.960 0.000 0.000 0.210 70 G C 0.961 175.909 174.900 0.081 0.000 1.153 70 G CA 0.466 45.618 45.100 0.086 0.000 0.778 70 G HN 1.090 nan 8.290 nan 0.000 0.539 71 G N 0.007 108.836 108.800 0.047 0.000 2.283 71 G HA2 -0.318 3.642 3.960 0.000 0.000 0.280 71 G HA3 -0.318 3.642 3.960 0.000 0.000 0.280 71 G C 0.856 175.778 174.900 0.037 0.000 1.029 71 G CA 0.701 45.817 45.100 0.027 0.000 0.840 71 G HN 0.550 nan 8.290 nan 0.000 0.505 72 H N -0.346 118.719 119.070 -0.009 0.000 2.551 72 H HA 0.087 4.644 4.556 0.000 0.000 0.266 72 H C 1.368 176.683 175.328 -0.022 0.000 0.964 72 H CA 0.418 56.413 56.048 -0.089 0.000 1.180 72 H CB 0.348 29.911 29.762 -0.332 0.000 1.408 72 H HN 0.398 nan 8.280 nan 0.000 0.563 73 N N 2.823 121.584 118.700 0.101 0.000 2.438 73 N HA -0.031 4.709 4.740 0.000 0.000 0.267 73 N C -1.812 173.678 175.510 -0.033 0.000 1.222 73 N CA -1.045 52.041 53.050 0.061 0.000 0.930 73 N CB 1.277 39.808 38.487 0.073 0.000 1.083 73 N HN 0.176 nan 8.380 nan 0.000 0.476 74 P HA -0.002 nan 4.420 nan 0.000 0.247 74 P C 0.227 177.456 177.300 -0.117 0.000 1.225 74 P CA 0.437 63.458 63.100 -0.132 0.000 0.768 74 P CB 0.388 31.825 31.700 -0.438 0.000 1.020 75 N N 0.113 118.613 118.700 -0.333 0.000 2.422 75 N HA -0.001 4.740 4.740 0.000 0.000 0.181 75 N C 1.501 176.416 175.510 -0.991 0.000 1.080 75 N CA 1.109 53.816 53.050 -0.573 0.000 0.893 75 N CB -0.034 37.801 38.487 -1.086 0.000 0.973 75 N HN 0.205 nan 8.380 nan 0.000 0.456 76 G N 0.737 109.004 108.800 -0.888 0.000 2.159 76 G HA2 -0.315 3.645 3.960 0.000 0.000 0.256 76 G HA3 -0.315 3.645 3.960 0.000 0.000 0.256 76 G C 0.556 175.166 174.900 -0.483 0.000 0.977 76 G CA 0.336 44.870 45.100 -0.943 0.000 0.652 76 G HN 0.307 nan 8.290 nan 0.000 0.531 77 Y N 0.141 120.288 120.300 -0.255 0.000 2.283 77 Y HA 0.003 4.553 4.550 0.000 0.000 0.285 77 Y C 2.987 178.773 175.900 -0.189 0.000 1.176 77 Y CA 1.463 59.459 58.100 -0.173 0.000 1.229 77 Y CB -0.842 37.567 38.460 -0.085 0.000 0.975 77 Y HN 0.525 nan 8.280 nan 0.000 0.537 78 A N -1.344 121.462 122.820 -0.022 0.000 2.168 78 A HA 0.036 4.356 4.320 0.000 0.000 0.215 78 A C 1.310 178.838 177.584 -0.094 0.000 1.152 78 A CA 1.400 53.410 52.037 -0.044 0.000 0.716 78 A CB -0.395 18.583 19.000 -0.036 0.000 0.794 78 A HN 0.304 nan 8.150 nan 0.000 0.465 79 T N -1.084 113.379 114.554 -0.152 0.000 2.906 79 T HA 0.547 4.897 4.350 0.000 0.000 0.295 79 T C -0.850 173.708 174.700 -0.235 0.000 1.075 79 T CA -0.316 61.694 62.100 -0.150 0.000 1.005 79 T CB 1.094 69.899 68.868 -0.105 0.000 1.136 79 T HN 0.592 nan 8.240 nan 0.000 0.498 80 N N 0.759 119.364 118.700 -0.158 0.000 3.278 80 N HA 0.509 5.249 4.740 0.000 0.000 0.307 80 N C -1.970 173.527 175.510 -0.023 0.000 1.551 80 N CA -0.834 52.122 53.050 -0.158 0.000 0.794 80 N CB 0.766 39.165 38.487 -0.147 0.000 1.770 80 N HN 0.429 nan 8.380 nan 0.000 0.612 81 D N -1.873 118.542 120.400 0.025 0.000 2.477 81 D HA 0.468 5.108 4.640 0.000 0.000 0.239 81 D C 0.737 177.075 176.300 0.063 0.000 1.102 81 D CA 0.491 54.521 54.000 0.050 0.000 0.901 81 D CB -0.232 40.602 40.800 0.056 0.000 1.026 81 D HN 0.916 nan 8.370 nan 0.000 0.515 82 G N 2.457 111.300 108.800 0.072 0.000 2.184 82 G HA2 -0.205 3.755 3.960 0.000 0.000 0.264 82 G HA3 -0.205 3.755 3.960 0.000 0.000 0.264 82 G C 0.762 175.715 174.900 0.087 0.000 0.975 82 G CA 0.129 45.277 45.100 0.079 0.000 0.642 82 G HN 0.791 nan 8.290 nan 0.000 0.536 83 G N -0.913 107.938 108.800 0.085 0.000 2.574 83 G HA2 0.648 4.609 3.960 0.000 0.000 0.248 83 G HA3 0.648 4.609 3.960 0.000 0.000 0.248 83 G C 0.086 175.047 174.900 0.101 0.000 1.422 83 G CA -0.249 44.906 45.100 0.092 0.000 1.051 83 G HN 0.955 nan 8.290 nan 0.000 0.560 84 I N -1.003 119.628 120.570 0.101 0.000 2.607 84 I HA 0.606 4.776 4.170 0.000 0.000 0.305 84 I C -0.979 175.171 176.117 0.054 0.000 0.995 84 I CA -0.848 60.506 61.300 0.090 0.000 1.148 84 I CB 2.127 40.202 38.000 0.126 0.000 1.323 84 I HN 0.145 nan 8.210 nan 0.000 0.461 85 V N 7.554 127.479 119.914 0.018 0.000 2.483 85 V HA 0.301 4.421 4.120 0.000 0.000 0.297 85 V C -0.598 175.486 176.094 -0.016 0.000 1.027 85 V CA -0.618 61.679 62.300 -0.006 0.000 0.855 85 V CB 1.505 33.300 31.823 -0.048 0.000 0.995 85 V HN 0.415 nan 8.190 nan 0.000 0.424 86 L N 4.688 125.916 121.223 0.009 0.000 2.302 86 L HA 0.378 4.718 4.340 0.000 0.000 0.285 86 L C 0.274 177.136 176.870 -0.013 0.000 1.090 86 L CA 0.164 55.007 54.840 0.005 0.000 0.866 86 L CB 0.265 42.350 42.059 0.043 0.000 1.244 86 L HN 0.565 nan 8.230 nan 0.000 0.435 87 D N 3.083 123.462 120.400 -0.035 0.000 2.325 87 D HA 0.110 4.750 4.640 0.000 0.000 0.251 87 D C 0.715 177.001 176.300 -0.023 0.000 1.196 87 D CA 0.010 53.988 54.000 -0.038 0.000 0.866 87 D CB 0.970 41.734 40.800 -0.060 0.000 1.101 87 D HN 0.405 nan 8.370 nan 0.000 0.476 88 L N 3.816 125.032 121.223 -0.013 0.000 2.628 88 L HA 0.227 4.567 4.340 0.000 0.000 0.229 88 L C 2.234 179.106 176.870 0.002 0.000 1.137 88 L CA -0.285 54.553 54.840 -0.004 0.000 0.909 88 L CB 0.037 42.096 42.059 -0.001 0.000 1.137 88 L HN 0.256 nan 8.230 nan 0.000 0.470 89 R N 0.634 121.134 120.500 -0.000 0.000 2.139 89 R HA -0.146 4.195 4.340 0.000 0.000 0.243 89 R C 1.940 178.245 176.300 0.008 0.000 1.145 89 R CA 1.349 57.453 56.100 0.008 0.000 0.976 89 R CB -0.272 30.030 30.300 0.004 0.000 0.866 89 R HN 0.378 nan 8.270 nan 0.000 0.449 90 L N 0.048 121.273 121.223 0.002 0.000 2.478 90 L HA 0.006 4.346 4.340 0.000 0.000 0.223 90 L C 1.024 177.898 176.870 0.007 0.000 1.140 90 L CA 0.388 55.230 54.840 0.004 0.000 0.842 90 L CB -0.005 42.053 42.059 -0.001 0.000 0.953 90 L HN 0.171 nan 8.230 nan 0.000 0.452 91 M N 1.735 121.340 119.600 0.009 0.000 3.561 91 M HA 0.077 4.558 4.480 0.000 0.000 0.230 91 M C 0.185 176.494 176.300 0.015 0.000 1.387 91 M CA -0.107 55.200 55.300 0.012 0.000 1.570 91 M CB -0.174 32.434 32.600 0.013 0.000 1.057 91 M HN 0.162 nan 8.290 nan 0.000 0.607 92 N N -0.579 118.128 118.700 0.013 0.000 2.380 92 N HA 0.028 4.769 4.740 0.000 0.000 0.255 92 N C -0.159 175.354 175.510 0.006 0.000 1.158 92 N CA -0.240 52.817 53.050 0.012 0.000 0.878 92 N CB 0.350 38.845 38.487 0.014 0.000 1.138 92 N HN 0.166 nan 8.380 nan 0.000 0.509 93 S N 0.707 116.412 115.700 0.008 0.000 2.533 93 S HA 0.333 4.803 4.470 0.000 0.000 0.282 93 S C -0.055 174.544 174.600 -0.001 0.000 1.304 93 S CA -0.410 57.796 58.200 0.010 0.000 1.063 93 S CB 0.002 63.211 63.200 0.015 0.000 0.881 93 S HN 0.329 nan 8.310 nan 0.000 0.493 94 I N 4.731 125.299 120.570 -0.004 0.000 2.439 94 I HA 0.236 4.406 4.170 0.000 0.000 0.283 94 I C -0.737 175.371 176.117 -0.016 0.000 1.023 94 I CA -0.649 60.624 61.300 -0.044 0.000 1.100 94 I CB 1.511 39.458 38.000 -0.088 0.000 1.238 94 I HN 0.710 nan 8.210 nan 0.000 0.445 95 H N 7.641 126.647 119.070 -0.107 0.000 2.551 95 H HA 0.463 5.019 4.556 0.000 0.000 0.321 95 H C -0.995 174.236 175.328 -0.162 0.000 1.028 95 H CA -0.599 55.391 56.048 -0.096 0.000 1.215 95 H CB 0.976 30.705 29.762 -0.055 0.000 1.414 95 H HN 0.315 nan 8.280 nan 0.000 0.480 96 I N 5.011 125.092 120.570 -0.814 0.000 2.287 96 I HA 0.055 4.225 4.170 0.000 0.000 0.290 96 I C 0.308 175.997 176.117 -0.714 0.000 1.069 96 I CA -0.414 60.394 61.300 -0.820 0.000 1.237 96 I CB 0.258 37.461 38.000 -1.327 0.000 1.418 96 I HN 0.747 nan 8.210 nan 0.000 0.481 97 D N 4.648 124.720 120.400 -0.546 0.000 2.713 97 D HA 0.034 4.674 4.640 0.000 0.000 0.229 97 D C 1.567 177.813 176.300 -0.090 0.000 1.136 97 D CA -0.145 53.731 54.000 -0.207 0.000 1.010 97 D CB 0.566 41.346 40.800 -0.033 0.000 1.084 97 D HN 0.630 nan 8.370 nan 0.000 0.495 98 T N -0.483 114.064 114.554 -0.011 0.000 2.714 98 T HA -0.325 4.025 4.350 0.000 0.000 0.268 98 T C 1.978 176.684 174.700 0.010 0.000 1.036 98 T CA 1.203 63.328 62.100 0.041 0.000 1.148 98 T CB -0.472 68.486 68.868 0.149 0.000 0.856 98 T HN 0.301 nan 8.240 nan 0.000 0.462 99 A N 2.391 125.222 122.820 0.018 0.000 1.859 99 A HA 0.116 4.436 4.320 0.000 0.000 0.218 99 A C 2.543 180.123 177.584 -0.007 0.000 1.242 99 A CA 1.804 53.848 52.037 0.012 0.000 0.661 99 A CB -1.542 17.472 19.000 0.024 0.000 0.842 99 A HN 0.741 nan 8.150 nan 0.000 0.455 100 G N -1.485 107.306 108.800 -0.016 0.000 3.379 100 G HA2 0.334 4.294 3.960 0.000 0.000 0.253 100 G HA3 0.334 4.294 3.960 0.000 0.000 0.253 100 G C 0.472 175.330 174.900 -0.070 0.000 1.262 100 G CA 1.068 46.148 45.100 -0.032 0.000 0.959 100 G HN 1.161 nan 8.290 nan 0.000 0.524 101 S N -0.440 115.212 115.700 -0.081 0.000 3.378 101 S HA -0.206 4.264 4.470 0.000 0.000 0.365 101 S C 0.754 175.231 174.600 -0.204 0.000 0.951 101 S CA 1.369 59.488 58.200 -0.135 0.000 1.274 101 S CB -0.921 62.197 63.200 -0.137 0.000 0.915 101 S HN 1.099 nan 8.310 nan 0.000 0.513 102 R N -0.270 120.120 120.500 -0.183 0.000 2.734 102 R HA 0.867 5.207 4.340 0.000 0.000 0.271 102 R C -0.962 175.215 176.300 -0.206 0.000 1.021 102 R CA -0.628 55.355 56.100 -0.196 0.000 0.893 102 R CB 0.921 31.144 30.300 -0.127 0.000 1.244 102 R HN 0.465 nan 8.270 nan 0.000 0.464 103 A N 1.122 123.821 122.820 -0.201 0.000 2.423 103 A HA 0.745 5.065 4.320 0.000 0.000 0.304 103 A C -1.219 176.294 177.584 -0.118 0.000 1.104 103 A CA -1.011 50.897 52.037 -0.215 0.000 0.757 103 A CB 1.951 20.776 19.000 -0.292 0.000 1.313 103 A HN 0.731 nan 8.150 nan 0.000 0.423 104 R N 1.548 122.009 120.500 -0.065 0.000 2.476 104 R HA 0.674 5.014 4.340 0.000 0.000 0.305 104 R C -1.304 174.982 176.300 -0.022 0.000 0.965 104 R CA -0.358 55.745 56.100 0.006 0.000 0.867 104 R CB 0.756 31.111 30.300 0.092 0.000 1.176 104 R HN 0.853 nan 8.270 nan 0.000 0.447 105 I N 0.108 120.653 120.570 -0.042 0.000 2.934 105 I HA 0.675 4.845 4.170 0.000 0.000 0.306 105 I C 0.006 176.124 176.117 0.002 0.000 1.110 105 I CA -1.363 59.907 61.300 -0.050 0.000 1.019 105 I CB 2.215 40.128 38.000 -0.146 0.000 1.227 105 I HN 0.614 nan 8.210 nan 0.000 0.434 106 G N 1.326 110.130 108.800 0.007 0.000 2.444 106 G HA2 0.404 4.364 3.960 0.000 0.000 0.268 106 G HA3 0.404 4.364 3.960 0.000 0.000 0.268 106 G C 0.929 175.855 174.900 0.042 0.000 1.203 106 G CA -0.130 44.985 45.100 0.026 0.000 0.835 106 G HN 1.083 nan 8.290 nan 0.000 0.543 107 G N 1.364 110.188 108.800 0.040 0.000 2.597 107 G HA2 -0.168 3.792 3.960 0.000 0.000 0.222 107 G HA3 -0.168 3.792 3.960 0.000 0.000 0.222 107 G C 1.492 176.418 174.900 0.044 0.000 1.135 107 G CA 1.325 46.448 45.100 0.039 0.000 0.759 107 G HN 1.086 nan 8.290 nan 0.000 0.595 108 G N -0.575 108.246 108.800 0.035 0.000 3.314 108 G HA2 0.356 4.316 3.960 0.000 0.000 0.238 108 G HA3 0.356 4.316 3.960 0.000 0.000 0.238 108 G C 0.234 175.164 174.900 0.049 0.000 1.184 108 G CA -0.173 44.948 45.100 0.035 0.000 0.806 108 G HN 0.305 nan 8.290 nan 0.000 0.536 109 V N 2.326 122.279 119.914 0.065 0.000 2.572 109 V HA 0.083 4.203 4.120 0.000 0.000 0.291 109 V C 0.315 176.471 176.094 0.103 0.000 1.039 109 V CA -0.509 61.828 62.300 0.061 0.000 1.055 109 V CB 1.153 32.989 31.823 0.023 0.000 0.969 109 V HN 0.104 nan 8.190 nan 0.000 0.482 110 I N 4.306 124.924 120.570 0.079 0.000 2.371 110 I HA 0.175 4.345 4.170 0.000 0.000 0.290 110 I C 1.679 177.861 176.117 0.109 0.000 1.028 110 I CA 0.356 61.713 61.300 0.096 0.000 1.345 110 I CB 0.691 38.739 38.000 0.081 0.000 1.407 110 I HN 0.727 nan 8.210 nan 0.000 0.501 111 S N 5.146 120.936 115.700 0.150 0.000 2.425 111 S HA -0.287 4.183 4.470 0.000 0.000 0.256 111 S C 1.968 176.627 174.600 0.097 0.000 1.101 111 S CA 2.383 60.688 58.200 0.176 0.000 1.188 111 S CB -0.468 62.812 63.200 0.133 0.000 1.085 111 S HN 0.957 nan 8.310 nan 0.000 0.439 112 G N 1.445 110.286 108.800 0.068 0.000 2.469 112 G HA2 -0.265 3.695 3.960 0.000 0.000 0.219 112 G HA3 -0.265 3.695 3.960 0.000 0.000 0.219 112 G C 1.056 175.967 174.900 0.019 0.000 1.150 112 G CA 1.297 46.417 45.100 0.034 0.000 0.763 112 G HN 0.507 nan 8.290 nan 0.000 0.561 113 D N 0.197 120.610 120.400 0.021 0.000 2.144 113 D HA -0.095 4.545 4.640 0.000 0.000 0.199 113 D C 2.394 178.674 176.300 -0.033 0.000 0.984 113 D CA 0.678 54.678 54.000 0.001 0.000 0.834 113 D CB -0.253 40.551 40.800 0.007 0.000 0.955 113 D HN 0.282 nan 8.370 nan 0.000 0.465 114 L N 1.009 122.201 121.223 -0.052 0.000 2.141 114 L HA -0.110 4.230 4.340 0.000 0.000 0.209 114 L C 2.110 178.927 176.870 -0.088 0.000 1.094 114 L CA 1.200 55.964 54.840 -0.126 0.000 0.763 114 L CB -0.532 41.391 42.059 -0.227 0.000 0.908 114 L HN -0.169 nan 8.230 nan 0.000 0.437 115 V N 0.135 120.035 119.914 -0.022 0.000 2.223 115 V HA -0.315 3.805 4.120 0.000 0.000 0.244 115 V C 2.570 178.663 176.094 -0.003 0.000 1.045 115 V CA 2.212 64.520 62.300 0.014 0.000 1.000 115 V CB -0.788 31.043 31.823 0.013 0.000 0.635 115 V HN 0.433 nan 8.190 nan 0.000 0.445 116 K N -0.241 120.155 120.400 -0.007 0.000 2.052 116 K HA -0.319 4.001 4.320 0.000 0.000 0.215 116 K C 2.229 178.832 176.600 0.005 0.000 1.053 116 K CA 2.247 58.536 56.287 0.004 0.000 0.934 116 K CB -0.339 32.166 32.500 0.007 0.000 0.717 116 K HN 0.349 nan 8.250 nan 0.000 0.450 117 E N 0.572 120.750 120.200 -0.036 0.000 2.038 117 E HA -0.161 4.189 4.350 0.000 0.000 0.195 117 E C 1.855 178.346 176.600 -0.182 0.000 1.000 117 E CA 1.693 58.044 56.400 -0.081 0.000 0.803 117 E CB -0.319 29.291 29.700 -0.149 0.000 0.750 117 E HN 0.332 nan 8.360 nan 0.000 0.448 118 A N 0.611 123.307 122.820 -0.205 0.000 1.940 118 A HA -0.110 4.210 4.320 0.000 0.000 0.219 118 A C 2.411 179.968 177.584 -0.045 0.000 1.176 118 A CA 2.249 54.146 52.037 -0.234 0.000 0.631 118 A CB -0.966 17.935 19.000 -0.165 0.000 0.814 118 A HN 0.348 nan 8.150 nan 0.000 0.446 119 A N 0.069 122.909 122.820 0.032 0.000 1.933 119 A HA -0.180 4.140 4.320 0.000 0.000 0.218 119 A C 1.982 179.658 177.584 0.154 0.000 1.175 119 A CA 1.779 53.871 52.037 0.091 0.000 0.628 119 A CB -0.483 18.562 19.000 0.075 0.000 0.814 119 A HN 0.569 nan 8.150 nan 0.000 0.444 120 K N -1.321 119.213 120.400 0.223 0.000 2.442 120 K HA -0.088 4.232 4.320 0.000 0.000 0.199 120 K C 0.054 176.920 176.600 0.444 0.000 1.044 120 K CA 1.088 57.566 56.287 0.318 0.000 0.941 120 K CB -0.299 32.436 32.500 0.392 0.000 0.759 120 K HN 0.691 nan 8.250 nan 0.000 0.472 121 F N -0.460 119.472 119.950 -0.030 0.000 2.764 121 F HA 0.240 4.767 4.527 0.000 0.000 0.310 121 F C 1.017 176.800 175.800 -0.029 0.000 1.124 121 F CA -0.610 57.368 58.000 -0.037 0.000 1.252 121 F CB 1.175 40.139 39.000 -0.060 0.000 1.010 121 F HN 0.036 nan 8.300 nan 0.000 0.518 122 G N 1.838 110.736 108.800 0.164 0.000 2.258 122 G HA2 -0.302 3.658 3.960 0.000 0.000 0.274 122 G HA3 -0.302 3.658 3.960 0.000 0.000 0.274 122 G C -0.155 174.791 174.900 0.076 0.000 1.021 122 G CA 0.229 45.385 45.100 0.094 0.000 0.798 122 G HN 0.375 nan 8.290 nan 0.000 0.507 123 L N -0.837 120.428 121.223 0.071 0.000 2.304 123 L HA 0.890 5.231 4.340 0.000 0.000 0.268 123 L C 0.397 177.268 176.870 0.002 0.000 1.010 123 L CA -0.643 54.198 54.840 0.003 0.000 0.813 123 L CB 2.135 44.155 42.059 -0.066 0.000 1.315 123 L HN 0.388 nan 8.230 nan 0.000 0.445 124 A N 0.838 123.639 122.820 -0.031 0.000 2.488 124 A HA 0.837 5.157 4.320 0.000 0.000 0.298 124 A C -1.174 176.390 177.584 -0.033 0.000 1.044 124 A CA -0.389 51.651 52.037 0.005 0.000 0.693 124 A CB 1.752 20.723 19.000 -0.049 0.000 1.272 124 A HN 0.708 nan 8.150 nan 0.000 0.402 125 A N 0.934 123.770 122.820 0.025 0.000 2.320 125 A HA 0.694 5.014 4.320 0.000 0.000 0.334 125 A C -0.399 177.268 177.584 0.138 0.000 1.147 125 A CA -0.500 51.548 52.037 0.018 0.000 0.820 125 A CB 0.987 19.942 19.000 -0.075 0.000 1.218 125 A HN 1.351 nan 8.150 nan 0.000 0.482 126 V N 2.941 122.957 119.914 0.169 0.000 2.387 126 V HA 0.421 4.541 4.120 0.000 0.000 0.260 126 V C 0.722 176.971 176.094 0.258 0.000 1.054 126 V CA 0.639 63.052 62.300 0.189 0.000 0.967 126 V CB -0.402 31.523 31.823 0.170 0.000 1.036 126 V HN 1.131 nan 8.190 nan 0.000 0.481 127 T N 1.991 116.693 114.554 0.246 0.000 2.693 127 T HA 0.759 5.109 4.350 0.000 0.000 0.278 127 T C 0.408 175.152 174.700 0.075 0.000 0.994 127 T CA -0.202 62.025 62.100 0.212 0.000 1.033 127 T CB 1.427 70.466 68.868 0.284 0.000 1.342 127 T HN 0.674 nan 8.240 nan 0.000 0.538 128 G N -0.455 108.351 108.800 0.010 0.000 2.621 128 G HA2 0.458 4.418 3.960 0.000 0.000 0.271 128 G HA3 0.458 4.418 3.960 0.000 0.000 0.271 128 G C 0.611 175.482 174.900 -0.047 0.000 1.236 128 G CA -0.836 44.214 45.100 -0.084 0.000 0.958 128 G HN 0.763 nan 8.290 nan 0.000 0.512 129 M N -0.529 118.976 119.600 -0.158 0.000 2.558 129 M HA 0.067 4.547 4.480 0.000 0.000 0.255 129 M C 0.605 176.917 176.300 0.019 0.000 1.113 129 M CA 0.505 55.718 55.300 -0.145 0.000 1.097 129 M CB 0.061 32.358 32.600 -0.506 0.000 1.426 129 M HN 0.408 nan 8.290 nan 0.000 0.488 130 H N 1.858 120.864 119.070 -0.106 0.000 2.476 130 H HA 0.224 4.780 4.556 0.000 0.000 0.328 130 H C -1.992 173.274 175.328 -0.103 0.000 1.073 130 H CA -1.827 54.152 56.048 -0.115 0.000 1.229 130 H CB 1.888 31.508 29.762 -0.236 0.000 1.432 130 H HN -0.071 nan 8.280 nan 0.000 0.477 131 P HA -0.081 nan 4.420 nan 0.000 0.226 131 P C 0.840 178.212 177.300 0.121 0.000 1.153 131 P CA 0.640 63.747 63.100 0.012 0.000 0.777 131 P CB 0.677 32.339 31.700 -0.063 0.000 0.794 132 K N 0.324 120.909 120.400 0.308 0.000 2.305 132 K HA 0.076 4.396 4.320 0.000 0.000 0.199 132 K C 1.182 177.845 176.600 0.105 0.000 1.047 132 K CA 0.258 56.687 56.287 0.238 0.000 0.976 132 K CB -0.485 32.246 32.500 0.385 0.000 0.765 132 K HN 0.196 nan 8.250 nan 0.000 0.474 133 V N -0.115 119.747 119.914 -0.086 0.000 2.715 133 V HA 0.394 4.514 4.120 0.000 0.000 0.299 133 V C 0.659 176.757 176.094 0.007 0.000 1.054 133 V CA -0.795 61.423 62.300 -0.137 0.000 1.077 133 V CB 0.614 32.258 31.823 -0.299 0.000 0.972 133 V HN 0.166 nan 8.190 nan 0.000 0.484 134 G N 2.428 111.245 108.800 0.029 0.000 2.441 134 G HA2 0.243 4.203 3.960 0.000 0.000 0.243 134 G HA3 0.243 4.203 3.960 0.000 0.000 0.243 134 G C -0.028 174.895 174.900 0.038 0.000 1.281 134 G CA -0.074 45.058 45.100 0.053 0.000 0.854 134 G HN 0.931 nan 8.290 nan 0.000 0.560 135 F N 1.598 121.537 119.950 -0.018 0.000 2.102 135 F HA -0.137 4.390 4.527 0.000 0.000 0.298 135 F C 2.557 178.337 175.800 -0.034 0.000 1.105 135 F CA 1.644 59.630 58.000 -0.024 0.000 1.239 135 F CB -0.207 38.781 39.000 -0.020 0.000 0.991 135 F HN 0.403 nan 8.300 nan 0.000 0.474 136 C N 0.419 119.682 119.300 -0.062 0.000 2.450 136 C HA 0.010 4.470 4.460 0.000 0.000 0.279 136 C C 3.084 177.952 174.990 -0.203 0.000 1.335 136 C CA 1.037 59.962 59.018 -0.155 0.000 1.749 136 C CB -1.858 25.870 27.740 -0.020 0.000 1.963 136 C HN 0.714 nan 8.230 nan 0.000 0.501 137 G N 0.251 108.967 108.800 -0.140 0.000 2.442 137 G HA2 -0.222 3.738 3.960 0.000 0.000 0.219 137 G HA3 -0.222 3.738 3.960 0.000 0.000 0.219 137 G C 1.608 176.411 174.900 -0.161 0.000 1.141 137 G CA 1.000 46.023 45.100 -0.127 0.000 0.763 137 G HN 0.571 nan 8.290 nan 0.000 0.554 138 L N -0.107 120.987 121.223 -0.214 0.000 2.145 138 L HA 0.364 4.704 4.340 0.000 0.000 0.201 138 L C 3.043 179.724 176.870 -0.314 0.000 1.075 138 L CA 1.375 56.078 54.840 -0.228 0.000 0.773 138 L CB -0.205 41.718 42.059 -0.225 0.000 0.936 138 L HN 0.213 nan 8.230 nan 0.000 0.451 139 A N 0.184 122.669 122.820 -0.559 0.000 1.930 139 A HA -0.102 4.218 4.320 0.000 0.000 0.217 139 A C 2.103 179.493 177.584 -0.324 0.000 1.175 139 A CA 1.376 53.065 52.037 -0.579 0.000 0.627 139 A CB -0.788 17.503 19.000 -1.182 0.000 0.815 139 A HN 0.509 nan 8.150 nan 0.000 0.443 140 L N -0.244 120.812 121.223 -0.280 0.000 2.465 140 L HA -0.044 4.296 4.340 0.000 0.000 0.224 140 L C 1.101 177.887 176.870 -0.139 0.000 1.145 140 L CA 0.512 55.236 54.840 -0.192 0.000 0.834 140 L CB -0.256 41.692 42.059 -0.185 0.000 0.944 140 L HN 0.367 nan 8.230 nan 0.000 0.451 141 N N -0.590 118.039 118.700 -0.117 0.000 2.187 141 N HA 0.185 4.925 4.740 0.000 0.000 0.212 141 N C 0.900 176.416 175.510 0.009 0.000 1.152 141 N CA 0.870 53.926 53.050 0.010 0.000 0.872 141 N CB 1.712 40.244 38.487 0.074 0.000 1.025 141 N HN 0.374 nan 8.380 nan 0.000 0.514 142 G N 0.563 109.315 108.800 -0.079 0.000 2.680 142 G HA2 0.089 4.049 3.960 0.000 0.000 0.222 142 G HA3 0.089 4.049 3.960 0.000 0.000 0.222 142 G C -0.124 174.693 174.900 -0.139 0.000 1.460 142 G CA 0.088 45.125 45.100 -0.105 0.000 1.275 142 G HN 0.747 nan 8.290 nan 0.000 0.506 143 G N -1.298 107.420 108.800 -0.136 0.000 3.355 143 G HA2 0.534 4.495 3.960 0.000 0.000 0.686 143 G HA3 0.534 4.495 3.960 0.000 0.000 0.686 143 G C -0.142 174.625 174.900 -0.222 0.000 1.097 143 G CA 0.536 45.533 45.100 -0.172 0.000 0.881 143 G HN 2.237 nan 8.290 nan 0.000 0.550 144 V N 1.186 120.926 119.914 -0.291 0.000 2.815 144 V HA 1.106 5.226 4.120 0.000 0.000 0.314 144 V C 0.732 176.504 176.094 -0.538 0.000 1.064 144 V CA 0.317 62.309 62.300 -0.514 0.000 0.952 144 V CB 1.776 33.183 31.823 -0.695 0.000 1.020 144 V HN 2.587 nan 8.190 nan 0.000 0.439 145 G N 0.903 109.308 108.800 -0.657 0.000 2.490 145 G HA2 0.424 4.385 3.960 0.000 0.000 0.308 145 G HA3 0.424 4.385 3.960 0.000 0.000 0.308 145 G C -0.594 174.064 174.900 -0.404 0.000 1.286 145 G CA -0.278 44.519 45.100 -0.505 0.000 0.825 145 G HN 0.552 nan 8.290 nan 0.000 0.479 146 F N 0.076 120.032 119.950 0.010 0.000 2.161 146 F HA 0.057 4.584 4.527 0.000 0.000 0.300 146 F C 2.541 178.376 175.800 0.058 0.000 1.089 146 F CA 1.242 59.308 58.000 0.110 0.000 1.282 146 F CB -0.242 38.927 39.000 0.282 0.000 1.010 146 F HN 0.083 nan 8.300 nan 0.000 0.485 147 L N -0.934 120.414 121.223 0.210 0.000 2.599 147 L HA -0.032 4.308 4.340 0.000 0.000 0.230 147 L C 1.996 178.844 176.870 -0.036 0.000 1.141 147 L CA 0.349 55.221 54.840 0.054 0.000 0.877 147 L CB -1.057 41.030 42.059 0.046 0.000 1.009 147 L HN 0.089 nan 8.230 nan 0.000 0.447 148 T N 0.569 115.050 114.554 -0.121 0.000 2.737 148 T HA -0.137 4.213 4.350 0.000 0.000 0.269 148 T C -0.471 174.079 174.700 -0.251 0.000 1.040 148 T CA 1.466 63.403 62.100 -0.273 0.000 1.142 148 T CB -0.889 67.654 68.868 -0.541 0.000 0.861 148 T HN 0.262 nan 8.240 nan 0.000 0.456 149 P HA -0.057 nan 4.420 nan 0.000 0.215 149 P C 1.425 178.619 177.300 -0.176 0.000 1.153 149 P CA 1.289 64.332 63.100 -0.096 0.000 0.853 149 P CB 0.049 31.735 31.700 -0.023 0.000 0.788 150 K N -2.483 117.725 120.400 -0.321 0.000 2.168 150 K HA 0.049 4.369 4.320 0.000 0.000 0.201 150 K C 1.481 177.632 176.600 -0.749 0.000 1.049 150 K CA 1.042 56.965 56.287 -0.607 0.000 0.974 150 K CB -0.073 31.841 32.500 -0.977 0.000 0.792 150 K HN 0.178 nan 8.250 nan 0.000 0.463 151 Y N 0.118 120.282 120.300 -0.228 0.000 2.444 151 Y HA 0.246 4.797 4.550 0.000 0.000 0.249 151 Y C 1.114 176.941 175.900 -0.121 0.000 1.134 151 Y CA 0.133 58.088 58.100 -0.243 0.000 1.261 151 Y CB 0.732 38.944 38.460 -0.412 0.000 1.143 151 Y HN 0.218 nan 8.280 nan 0.000 0.523 152 G N 0.643 109.408 108.800 -0.057 0.000 2.527 152 G HA2 -0.238 3.722 3.960 0.000 0.000 0.227 152 G HA3 -0.238 3.722 3.960 0.000 0.000 0.227 152 G C -0.672 174.157 174.900 -0.118 0.000 1.291 152 G CA -0.584 44.478 45.100 -0.065 0.000 0.904 152 G HN 0.106 nan 8.290 nan 0.000 0.577 153 L N 0.795 121.992 121.223 -0.044 0.000 2.395 153 L HA 0.522 4.862 4.340 0.000 0.000 0.269 153 L C 2.275 179.126 176.870 -0.032 0.000 1.133 153 L CA -0.067 54.713 54.840 -0.101 0.000 0.812 153 L CB 0.938 42.922 42.059 -0.126 0.000 1.125 153 L HN 1.137 nan 8.230 nan 0.000 0.452 154 A N 1.562 124.342 122.820 -0.065 0.000 1.986 154 A HA -0.223 4.097 4.320 0.000 0.000 0.220 154 A C 2.346 179.922 177.584 -0.014 0.000 1.171 154 A CA 2.204 54.232 52.037 -0.015 0.000 0.640 154 A CB -0.754 18.168 19.000 -0.129 0.000 0.811 154 A HN 0.937 nan 8.150 nan 0.000 0.451 155 S N 0.476 116.134 115.700 -0.071 0.000 2.368 155 S HA -0.184 4.286 4.470 0.000 0.000 0.225 155 S C 1.276 175.867 174.600 -0.014 0.000 1.030 155 S CA 1.311 59.467 58.200 -0.073 0.000 0.999 155 S CB -0.616 62.525 63.200 -0.098 0.000 0.844 155 S HN 0.586 nan 8.310 nan 0.000 0.459 156 D N 2.211 122.641 120.400 0.050 0.000 2.351 156 D HA -0.021 4.619 4.640 0.000 0.000 0.216 156 D C 0.771 177.147 176.300 0.126 0.000 0.968 156 D CA 0.599 54.661 54.000 0.103 0.000 0.899 156 D CB -0.440 40.469 40.800 0.181 0.000 0.907 156 D HN 0.541 nan 8.370 nan 0.000 0.514 157 N N 0.355 119.135 118.700 0.134 0.000 2.235 157 N HA 0.115 4.855 4.740 0.000 0.000 0.209 157 N C 0.239 175.838 175.510 0.148 0.000 1.122 157 N CA -0.073 53.081 53.050 0.173 0.000 0.845 157 N CB 1.421 40.041 38.487 0.221 0.000 1.004 157 N HN 0.213 nan 8.380 nan 0.000 0.499 158 I N 1.586 122.232 120.570 0.126 0.000 2.352 158 I HA 0.064 4.234 4.170 0.000 0.000 0.290 158 I C 1.434 177.720 176.117 0.282 0.000 1.036 158 I CA -0.145 61.245 61.300 0.150 0.000 1.336 158 I CB 1.230 39.260 38.000 0.051 0.000 1.407 158 I HN -0.100 nan 8.210 nan 0.000 0.497 159 L N 5.997 127.377 121.223 0.262 0.000 2.202 159 L HA 0.287 4.627 4.340 0.000 0.000 0.205 159 L C 1.047 178.048 176.870 0.219 0.000 1.083 159 L CA 0.282 55.279 54.840 0.261 0.000 0.790 159 L CB -0.140 41.984 42.059 0.107 0.000 0.942 159 L HN 0.742 nan 8.230 nan 0.000 0.452 160 G N -1.200 107.739 108.800 0.232 0.000 2.601 160 G HA2 0.687 4.647 3.960 0.000 0.000 0.291 160 G HA3 0.687 4.647 3.960 0.000 0.000 0.291 160 G C -2.136 172.758 174.900 -0.009 0.000 1.456 160 G CA 0.136 45.246 45.100 0.016 0.000 0.804 160 G HN 0.078 nan 8.290 nan 0.000 0.499 161 A N -0.181 122.471 122.820 -0.280 0.000 2.574 161 A HA 0.882 5.202 4.320 0.000 0.000 0.297 161 A C -0.515 176.919 177.584 -0.250 0.000 1.062 161 A CA -0.526 51.419 52.037 -0.153 0.000 0.686 161 A CB 1.774 20.744 19.000 -0.051 0.000 1.285 161 A HN 0.996 nan 8.150 nan 0.000 0.403 162 T N 1.857 116.398 114.554 -0.022 0.000 2.797 162 T HA 0.646 4.996 4.350 0.000 0.000 0.279 162 T C -0.803 173.906 174.700 0.016 0.000 0.991 162 T CA -0.103 62.040 62.100 0.071 0.000 0.979 162 T CB 0.626 69.601 68.868 0.178 0.000 0.943 162 T HN 0.414 nan 8.240 nan 0.000 0.444 163 L N 2.674 123.903 121.223 0.011 0.000 2.371 163 L HA 0.656 4.996 4.340 0.000 0.000 0.262 163 L C -0.576 176.311 176.870 0.030 0.000 1.006 163 L CA -0.865 53.968 54.840 -0.013 0.000 0.818 163 L CB 2.176 44.202 42.059 -0.056 0.000 1.354 163 L HN 0.366 nan 8.230 nan 0.000 0.415 164 V N 0.725 120.654 119.914 0.024 0.000 2.347 164 V HA 0.503 4.623 4.120 0.000 0.000 0.280 164 V C 0.437 176.606 176.094 0.124 0.000 1.021 164 V CA -0.582 61.767 62.300 0.081 0.000 0.847 164 V CB 1.539 33.414 31.823 0.087 0.000 0.990 164 V HN 0.945 nan 8.190 nan 0.000 0.444 165 T N 2.670 117.334 114.554 0.184 0.000 2.732 165 T HA 0.456 4.806 4.350 0.000 0.000 0.287 165 T C 1.544 176.480 174.700 0.394 0.000 0.993 165 T CA 0.171 62.446 62.100 0.291 0.000 0.966 165 T CB 1.290 70.327 68.868 0.281 0.000 1.047 165 T HN 0.728 nan 8.240 nan 0.000 0.527 166 A N 0.680 123.776 122.820 0.461 0.000 1.986 166 A HA -0.063 4.257 4.320 0.000 0.000 0.220 166 A C 2.478 180.117 177.584 0.091 0.000 1.171 166 A CA 2.279 54.423 52.037 0.178 0.000 0.640 166 A CB -1.770 17.240 19.000 0.018 0.000 0.811 166 A HN 1.130 nan 8.150 nan 0.000 0.451 167 T N -4.677 109.948 114.554 0.118 0.000 3.148 167 T HA 0.386 4.736 4.350 0.000 0.000 0.253 167 T C 1.440 176.194 174.700 0.089 0.000 1.134 167 T CA 1.090 63.237 62.100 0.079 0.000 1.051 167 T CB 0.079 68.989 68.868 0.070 0.000 0.959 167 T HN 1.719 nan 8.240 nan 0.000 0.525 168 G N 1.010 109.883 108.800 0.123 0.000 2.213 168 G HA2 -0.231 3.729 3.960 0.000 0.000 0.236 168 G HA3 -0.231 3.729 3.960 0.000 0.000 0.236 168 G C -0.182 174.781 174.900 0.105 0.000 0.991 168 G CA -0.057 45.110 45.100 0.113 0.000 0.629 168 G HN 0.717 nan 8.290 nan 0.000 0.517 169 D N 0.952 121.417 120.400 0.109 0.000 2.417 169 D HA 0.402 5.042 4.640 0.000 0.000 0.250 169 D C 0.714 177.079 176.300 0.108 0.000 1.166 169 D CA 0.070 54.131 54.000 0.100 0.000 0.881 169 D CB 1.097 41.958 40.800 0.103 0.000 1.164 169 D HN 0.205 nan 8.370 nan 0.000 0.467 170 V N 5.868 125.837 119.914 0.091 0.000 2.461 170 V HA 0.315 4.435 4.120 0.000 0.000 0.275 170 V C 0.589 176.744 176.094 0.101 0.000 1.047 170 V CA -0.313 62.041 62.300 0.089 0.000 0.955 170 V CB 0.336 32.203 31.823 0.073 0.000 0.988 170 V HN 0.467 nan 8.190 nan 0.000 0.471 171 I N 2.605 123.241 120.570 0.110 0.000 3.042 171 I HA 0.721 4.891 4.170 0.000 0.000 0.310 171 I C -1.604 174.606 176.117 0.154 0.000 1.117 171 I CA -1.074 60.304 61.300 0.131 0.000 1.003 171 I CB 2.441 40.525 38.000 0.140 0.000 1.228 171 I HN 0.503 nan 8.210 nan 0.000 0.443 172 Y N 3.156 123.472 120.300 0.026 0.000 2.562 172 Y HA 0.773 5.323 4.550 0.000 0.000 0.343 172 Y C -0.709 175.195 175.900 0.007 0.000 1.025 172 Y CA -0.713 57.394 58.100 0.011 0.000 1.082 172 Y CB 1.869 40.329 38.460 -0.001 0.000 1.264 172 Y HN 1.076 nan 8.280 nan 0.000 0.478 173 C N 2.486 121.370 119.300 -0.694 0.000 2.985 173 C HA 0.955 5.415 4.460 0.000 0.000 0.332 173 C C -0.939 173.652 174.990 -0.666 0.000 1.164 173 C CA -0.044 58.735 59.018 -0.398 0.000 1.347 173 C CB 0.824 28.480 27.740 -0.140 0.000 1.764 173 C HN 1.187 nan 8.230 nan 0.000 0.489 174 S N 0.602 115.936 115.700 -0.610 0.000 2.724 174 S HA 0.514 4.984 4.470 0.000 0.000 0.278 174 S C 0.276 174.247 174.600 -1.048 0.000 1.190 174 S CA 0.226 57.634 58.200 -1.321 0.000 0.860 174 S CB 0.742 63.598 63.200 -0.574 0.000 1.206 174 S HN 0.971 nan 8.310 nan 0.000 0.507 175 D N 0.664 120.492 120.400 -0.953 0.000 2.265 175 D HA -0.145 4.495 4.640 0.000 0.000 0.208 175 D C 0.549 176.779 176.300 -0.116 0.000 0.977 175 D CA 1.382 55.218 54.000 -0.273 0.000 0.871 175 D CB -0.470 40.272 40.800 -0.096 0.000 0.925 175 D HN 0.558 nan 8.370 nan 0.000 0.485 176 D N 0.516 120.836 120.400 -0.132 0.000 2.202 176 D HA -0.057 4.584 4.640 0.000 0.000 0.214 176 D C 0.575 176.867 176.300 -0.013 0.000 0.967 176 D CA 0.401 54.375 54.000 -0.044 0.000 0.871 176 D CB -0.178 40.606 40.800 -0.027 0.000 1.020 176 D HN 0.171 nan 8.370 nan 0.000 0.474 177 E N 1.199 121.396 120.200 -0.005 0.000 2.180 177 E HA 0.148 4.498 4.350 0.000 0.000 0.283 177 E C -0.685 175.931 176.600 0.027 0.000 1.061 177 E CA -0.286 56.144 56.400 0.050 0.000 0.861 177 E CB 0.180 29.984 29.700 0.173 0.000 1.056 177 E HN -0.032 nan 8.360 nan 0.000 0.407 178 R N 4.273 124.809 120.500 0.060 0.000 2.837 178 R HA -0.153 4.187 4.340 0.000 0.000 0.264 178 R C -1.860 174.492 176.300 0.087 0.000 0.906 178 R CA 0.460 56.610 56.100 0.084 0.000 0.711 178 R CB -0.784 29.571 30.300 0.092 0.000 1.701 178 R HN 0.593 nan 8.270 nan 0.000 0.514 179 P HA -0.176 nan 4.420 nan 0.000 0.217 179 P C 0.982 178.409 177.300 0.212 0.000 1.151 179 P CA 1.129 64.326 63.100 0.163 0.000 0.828 179 P CB 0.290 32.056 31.700 0.109 0.000 0.788 180 E N 0.112 120.393 120.200 0.135 0.000 2.118 180 E HA -0.164 4.187 4.350 0.000 0.000 0.195 180 E C 1.913 178.598 176.600 0.141 0.000 0.992 180 E CA 0.757 57.238 56.400 0.134 0.000 0.804 180 E CB -1.140 28.603 29.700 0.073 0.000 0.741 180 E HN 0.099 nan 8.360 nan 0.000 0.458 181 L N -0.440 120.796 121.223 0.023 0.000 2.095 181 L HA 0.045 4.386 4.340 0.000 0.000 0.204 181 L C 2.033 178.822 176.870 -0.134 0.000 1.080 181 L CA 1.563 56.261 54.840 -0.237 0.000 0.759 181 L CB -0.915 40.860 42.059 -0.474 0.000 0.914 181 L HN 0.214 nan 8.230 nan 0.000 0.439 182 F N -0.739 119.136 119.950 -0.126 0.000 2.161 182 F HA -0.233 4.294 4.527 0.000 0.000 0.300 182 F C 2.132 177.910 175.800 -0.036 0.000 1.089 182 F CA 1.798 59.737 58.000 -0.102 0.000 1.282 182 F CB -0.699 38.264 39.000 -0.061 0.000 1.010 182 F HN 0.400 nan 8.300 nan 0.000 0.485 183 W N 1.221 122.430 121.300 -0.151 0.000 2.353 183 W HA -0.155 4.506 4.660 0.000 0.000 0.319 183 W C 2.390 178.778 176.519 -0.219 0.000 1.207 183 W CA 2.856 60.083 57.345 -0.196 0.000 1.291 183 W CB -1.053 28.363 29.460 -0.073 0.000 1.159 183 W HN 0.036 nan 8.180 nan 0.000 0.478 184 A N 0.062 122.622 122.820 -0.433 0.000 1.940 184 A HA -0.182 4.138 4.320 0.000 0.000 0.219 184 A C 2.012 179.342 177.584 -0.423 0.000 1.176 184 A CA 2.202 53.816 52.037 -0.705 0.000 0.631 184 A CB -1.239 17.436 19.000 -0.542 0.000 0.814 184 A HN 0.254 nan 8.150 nan 0.000 0.446 185 V N 0.183 119.889 119.914 -0.346 0.000 2.720 185 V HA -0.157 3.963 4.120 0.000 0.000 0.256 185 V C 1.417 177.342 176.094 -0.281 0.000 1.082 185 V CA 1.356 63.526 62.300 -0.217 0.000 1.101 185 V CB -0.782 30.914 31.823 -0.212 0.000 0.693 185 V HN 0.463 nan 8.190 nan 0.000 0.479 186 R N 0.251 120.496 120.500 -0.425 0.000 4.390 186 R HA 0.413 4.753 4.340 0.000 0.000 0.229 186 R C 1.011 177.153 176.300 -0.262 0.000 1.674 186 R CA 0.648 56.534 56.100 -0.357 0.000 1.526 186 R CB 0.068 30.105 30.300 -0.439 0.000 1.418 186 R HN 0.471 nan 8.270 nan 0.000 0.790 187 G N -0.596 108.101 108.800 -0.172 0.000 3.259 187 G HA2 -0.128 3.832 3.960 0.000 0.000 0.217 187 G HA3 -0.128 3.832 3.960 0.000 0.000 0.217 187 G C 0.334 175.293 174.900 0.100 0.000 0.993 187 G CA 0.057 45.136 45.100 -0.034 0.000 0.836 187 G HN 0.426 nan 8.290 nan 0.000 0.514 188 A N 0.498 123.300 122.820 -0.029 0.000 2.543 188 A HA 0.677 4.997 4.320 0.000 0.000 0.279 188 A C 1.888 179.405 177.584 -0.112 0.000 0.917 188 A CA 1.201 53.215 52.037 -0.037 0.000 1.036 188 A CB -0.252 18.626 19.000 -0.203 0.000 1.227 188 A HN 1.408 nan 8.150 nan 0.000 0.503 189 G N 2.087 110.828 108.800 -0.098 0.000 2.631 189 G HA2 -0.250 3.710 3.960 0.000 0.000 0.219 189 G HA3 -0.250 3.710 3.960 0.000 0.000 0.219 189 G C -0.202 174.542 174.900 -0.260 0.000 1.214 189 G CA 1.856 46.897 45.100 -0.098 0.000 0.785 189 G HN 0.442 nan 8.290 nan 0.000 0.596 190 P HA -0.178 nan 4.420 nan 0.000 0.219 190 P C 1.664 178.651 177.300 -0.523 0.000 1.151 190 P CA 1.371 64.228 63.100 -0.407 0.000 0.850 190 P CB -0.124 31.345 31.700 -0.385 0.000 0.784 191 N N -2.060 116.221 118.700 -0.699 0.000 2.443 191 N HA -0.093 4.647 4.740 0.000 0.000 0.184 191 N C 0.936 175.824 175.510 -1.037 0.000 1.037 191 N CA 1.064 53.558 53.050 -0.927 0.000 0.896 191 N CB -0.200 37.520 38.487 -1.279 0.000 0.959 191 N HN 0.251 nan 8.380 nan 0.000 0.442 192 F N -0.863 118.981 119.950 -0.177 0.000 2.694 192 F HA 0.374 4.901 4.527 0.000 0.000 0.292 192 F C 1.527 177.209 175.800 -0.196 0.000 1.121 192 F CA -0.076 57.854 58.000 -0.117 0.000 1.352 192 F CB 0.282 39.169 39.000 -0.188 0.000 1.107 192 F HN -0.135 nan 8.300 nan 0.000 0.597 193 G N -0.426 108.076 108.800 -0.498 0.000 2.364 193 G HA2 0.455 4.415 3.960 0.000 0.000 0.286 193 G HA3 0.455 4.415 3.960 0.000 0.000 0.286 193 G C -2.025 172.351 174.900 -0.874 0.000 1.241 193 G CA -0.590 44.072 45.100 -0.730 0.000 0.887 193 G HN -0.234 nan 8.290 nan 0.000 0.484 194 V N 0.948 120.579 119.914 -0.471 0.000 2.378 194 V HA 0.466 4.586 4.120 0.000 0.000 0.288 194 V C 0.174 176.177 176.094 -0.151 0.000 1.016 194 V CA -0.671 61.450 62.300 -0.297 0.000 0.840 194 V CB 1.283 33.026 31.823 -0.134 0.000 0.994 194 V HN 0.599 nan 8.190 nan 0.000 0.431 195 V N 5.250 125.083 119.914 -0.135 0.000 2.397 195 V HA 0.072 4.192 4.120 0.000 0.000 0.262 195 V C 1.635 177.713 176.094 -0.026 0.000 1.047 195 V CA 0.846 63.105 62.300 -0.069 0.000 1.003 195 V CB 0.868 32.654 31.823 -0.062 0.000 1.037 195 V HN 1.105 nan 8.190 nan 0.000 0.480 196 T N 1.107 115.660 114.554 -0.001 0.000 3.054 196 T HA 0.139 4.489 4.350 0.000 0.000 0.259 196 T C 0.460 175.180 174.700 0.033 0.000 1.092 196 T CA 0.298 62.408 62.100 0.017 0.000 1.121 196 T CB 0.375 69.260 68.868 0.027 0.000 0.912 196 T HN 0.632 nan 8.240 nan 0.000 0.489 197 E N -0.350 119.877 120.200 0.045 0.000 2.347 197 E HA 0.537 4.888 4.350 0.000 0.000 0.285 197 E C -2.224 174.420 176.600 0.074 0.000 0.925 197 E CA -0.711 55.726 56.400 0.062 0.000 0.779 197 E CB 2.826 32.571 29.700 0.075 0.000 1.233 197 E HN 0.057 nan 8.360 nan 0.000 0.414 198 V N 3.497 123.459 119.914 0.080 0.000 2.680 198 V HA 0.458 4.578 4.120 0.000 0.000 0.309 198 V C -1.082 175.061 176.094 0.082 0.000 1.052 198 V CA -0.449 61.910 62.300 0.099 0.000 0.908 198 V CB 1.932 33.854 31.823 0.166 0.000 1.001 198 V HN 0.764 nan 8.190 nan 0.000 0.431 199 E N 3.705 123.964 120.200 0.099 0.000 2.113 199 E HA 0.579 4.929 4.350 0.000 0.000 0.273 199 E C -1.566 175.075 176.600 0.067 0.000 0.924 199 E CA -0.250 56.194 56.400 0.073 0.000 0.764 199 E CB 2.006 31.776 29.700 0.117 0.000 1.104 199 E HN 0.528 nan 8.360 nan 0.000 0.406 200 V N 4.105 124.015 119.914 -0.007 0.000 2.769 200 V HA 0.254 4.374 4.120 0.000 0.000 0.312 200 V C -0.528 175.511 176.094 -0.093 0.000 1.061 200 V CA -0.610 61.689 62.300 -0.003 0.000 0.931 200 V CB 2.076 33.896 31.823 -0.005 0.000 1.010 200 V HN 0.753 nan 8.190 nan 0.000 0.433 201 Q N 3.448 123.189 119.800 -0.097 0.000 2.327 201 Q HA 0.503 4.843 4.340 0.000 0.000 0.254 201 Q C -1.256 174.457 176.000 -0.478 0.000 0.952 201 Q CA -0.103 55.535 55.803 -0.274 0.000 0.884 201 Q CB 1.096 29.673 28.738 -0.269 0.000 1.224 201 Q HN 0.704 nan 8.270 nan 0.000 0.422 202 L N 2.934 123.778 121.223 -0.631 0.000 2.313 202 L HA 0.591 4.931 4.340 0.000 0.000 0.268 202 L C -1.115 175.153 176.870 -1.002 0.000 1.010 202 L CA -0.906 53.560 54.840 -0.623 0.000 0.814 202 L CB 1.253 43.097 42.059 -0.358 0.000 1.304 202 L HN 0.711 nan 8.230 nan 0.000 0.441 203 Y N -1.553 118.588 120.300 -0.263 0.000 2.677 203 Y HA 0.285 4.835 4.550 0.000 0.000 0.334 203 Y C -0.219 175.590 175.900 -0.151 0.000 1.154 203 Y CA -1.066 56.868 58.100 -0.276 0.000 1.070 203 Y CB 0.846 38.950 38.460 -0.594 0.000 1.294 203 Y HN 0.333 nan 8.280 nan 0.000 0.475 204 E N 2.054 122.319 120.200 0.108 0.000 2.383 204 E HA 0.016 4.366 4.350 0.000 0.000 0.257 204 E C -0.730 175.898 176.600 0.046 0.000 1.079 204 E CA -0.109 56.332 56.400 0.068 0.000 0.934 204 E CB 0.442 30.192 29.700 0.084 0.000 0.978 204 E HN 0.492 nan 8.360 nan 0.000 0.462 205 L N 7.466 128.712 121.223 0.039 0.000 2.654 205 L HA 0.067 4.407 4.340 0.000 0.000 0.271 205 L C -2.283 174.620 176.870 0.055 0.000 1.169 205 L CA -0.774 54.097 54.840 0.052 0.000 0.947 205 L CB 0.089 42.196 42.059 0.080 0.000 1.232 205 L HN 0.172 nan 8.230 nan 0.000 0.486 206 P HA 0.132 nan 4.420 nan 0.000 0.264 206 P C -0.076 177.268 177.300 0.072 0.000 1.229 206 P CA 0.175 63.305 63.100 0.050 0.000 0.780 206 P CB 0.562 32.286 31.700 0.040 0.000 0.808 207 R N 2.549 123.076 120.500 0.045 0.000 2.210 207 R HA 0.102 4.442 4.340 0.000 0.000 0.203 207 R C 0.108 176.420 176.300 0.021 0.000 1.010 207 R CA 0.846 56.967 56.100 0.036 0.000 1.008 207 R CB 0.322 30.638 30.300 0.026 0.000 0.923 207 R HN 0.343 nan 8.270 nan 0.000 0.469 208 K N 0.684 121.093 120.400 0.016 0.000 2.701 208 K HA 0.287 4.607 4.320 0.000 0.000 0.212 208 K C -1.181 175.420 176.600 0.002 0.000 1.035 208 K CA -0.062 56.227 56.287 0.003 0.000 1.048 208 K CB 1.804 34.302 32.500 -0.003 0.000 1.234 208 K HN -0.063 nan 8.250 nan 0.000 0.540 209 M N 2.336 121.938 119.600 0.003 0.000 2.537 209 M HA 0.429 4.909 4.480 0.000 0.000 0.324 209 M C -0.412 175.885 176.300 -0.004 0.000 1.187 209 M CA -0.940 54.367 55.300 0.012 0.000 0.993 209 M CB 1.456 34.063 32.600 0.011 0.000 1.666 209 M HN 0.216 nan 8.290 nan 0.000 0.461 210 L N 2.422 123.657 121.223 0.019 0.000 2.278 210 L HA 0.644 4.984 4.340 0.000 0.000 0.287 210 L C -0.265 176.608 176.870 0.005 0.000 1.072 210 L CA -0.407 54.436 54.840 0.006 0.000 0.819 210 L CB 0.529 42.592 42.059 0.007 0.000 1.176 210 L HN 0.819 nan 8.230 nan 0.000 0.435 211 A N 2.953 125.743 122.820 -0.050 0.000 2.520 211 A HA 0.948 5.268 4.320 0.000 0.000 0.298 211 A C -0.230 177.264 177.584 -0.151 0.000 1.051 211 A CA 0.151 52.117 52.037 -0.118 0.000 0.690 211 A CB 1.954 20.837 19.000 -0.196 0.000 1.281 211 A HN 0.792 nan 8.150 nan 0.000 0.402 212 G N -0.136 108.517 108.800 -0.246 0.000 2.344 212 G HA2 0.516 4.476 3.960 0.000 0.000 0.282 212 G HA3 0.516 4.476 3.960 0.000 0.000 0.282 212 G C -1.579 173.038 174.900 -0.470 0.000 1.281 212 G CA -0.595 44.322 45.100 -0.306 0.000 0.877 212 G HN 0.812 nan 8.290 nan 0.000 0.494 213 F N -0.363 119.606 119.950 0.033 0.000 2.575 213 F HA 0.868 5.395 4.527 0.000 0.000 0.330 213 F C 0.452 176.218 175.800 -0.057 0.000 1.056 213 F CA -0.857 57.162 58.000 0.031 0.000 0.964 213 F CB 2.275 41.293 39.000 0.031 0.000 1.258 213 F HN 0.298 nan 8.300 nan 0.000 0.484 214 I N 0.956 121.574 120.570 0.079 0.000 2.571 214 I HA 0.349 4.519 4.170 0.000 0.000 0.289 214 I C -1.251 174.555 176.117 -0.519 0.000 1.115 214 I CA -0.419 60.699 61.300 -0.304 0.000 1.045 214 I CB 2.415 40.137 38.000 -0.463 0.000 1.238 214 I HN 0.484 nan 8.210 nan 0.000 0.424 215 T N 4.442 118.657 114.554 -0.565 0.000 2.824 215 T HA 0.468 4.818 4.350 0.000 0.000 0.282 215 T C -0.944 173.461 174.700 -0.491 0.000 0.993 215 T CA -0.550 61.320 62.100 -0.384 0.000 0.967 215 T CB 1.349 70.136 68.868 -0.134 0.000 0.960 215 T HN 0.332 nan 8.240 nan 0.000 0.441 216 W N 1.123 122.461 121.300 0.064 0.000 2.639 216 W HA 0.652 5.312 4.660 0.000 0.000 0.347 216 W C -0.177 176.360 176.519 0.030 0.000 1.067 216 W CA -1.314 56.057 57.345 0.044 0.000 1.218 216 W CB 1.720 31.205 29.460 0.041 0.000 1.393 216 W HN 0.666 nan 8.180 nan 0.000 0.557 217 A N 4.064 127.024 122.820 0.233 0.000 3.105 217 A HA 0.396 4.717 4.320 0.000 0.000 0.336 217 A C -2.165 175.490 177.584 0.119 0.000 1.042 217 A CA -1.066 51.051 52.037 0.134 0.000 0.851 217 A CB -0.315 18.733 19.000 0.079 0.000 1.068 217 A HN 0.229 nan 8.150 nan 0.000 0.477 218 P HA 0.303 nan 4.420 nan 0.000 0.277 218 P C 0.338 177.654 177.300 0.025 0.000 1.240 218 P CA 0.035 63.173 63.100 0.064 0.000 0.798 218 P CB 1.421 33.144 31.700 0.037 0.000 0.979 219 S N 0.603 116.310 115.700 0.013 0.000 2.608 219 S HA 0.069 4.539 4.470 0.000 0.000 0.261 219 S C 1.475 176.064 174.600 -0.019 0.000 1.314 219 S CA -0.574 57.626 58.200 -0.001 0.000 0.992 219 S CB 0.017 63.217 63.200 -0.000 0.000 0.935 219 S HN 0.217 nan 8.310 nan 0.000 0.564 220 V N 1.920 121.819 119.914 -0.025 0.000 2.469 220 V HA -0.177 3.943 4.120 0.000 0.000 0.251 220 V C 2.834 178.903 176.094 -0.041 0.000 1.064 220 V CA 2.252 64.527 62.300 -0.041 0.000 1.066 220 V CB -1.626 30.175 31.823 -0.037 0.000 0.667 220 V HN 1.039 nan 8.190 nan 0.000 0.461 221 S N -0.280 115.402 115.700 -0.030 0.000 2.446 221 S HA -0.093 4.377 4.470 0.000 0.000 0.225 221 S C 1.699 176.279 174.600 -0.033 0.000 1.016 221 S CA 0.891 59.074 58.200 -0.030 0.000 0.943 221 S CB -0.271 62.917 63.200 -0.021 0.000 0.786 221 S HN 0.701 nan 8.310 nan 0.000 0.508 222 E N 0.888 121.070 120.200 -0.030 0.000 2.285 222 E HA 0.062 4.412 4.350 0.000 0.000 0.194 222 E C 1.783 178.351 176.600 -0.053 0.000 0.997 222 E CA 0.416 56.795 56.400 -0.035 0.000 0.845 222 E CB -0.262 29.427 29.700 -0.020 0.000 0.782 222 E HN 0.360 nan 8.360 nan 0.000 0.491 223 L N 1.668 122.858 121.223 -0.056 0.000 1.951 223 L HA -0.281 4.059 4.340 0.000 0.000 0.222 223 L C 2.273 179.093 176.870 -0.083 0.000 1.078 223 L CA 2.451 57.247 54.840 -0.073 0.000 0.778 223 L CB -1.043 40.964 42.059 -0.087 0.000 0.893 223 L HN 0.086 nan 8.230 nan 0.000 0.436 224 A N -0.530 122.245 122.820 -0.076 0.000 1.881 224 A HA -0.258 4.062 4.320 0.000 0.000 0.219 224 A C 2.368 179.912 177.584 -0.066 0.000 1.215 224 A CA 2.539 54.534 52.037 -0.070 0.000 0.648 224 A CB -1.852 17.113 19.000 -0.059 0.000 0.832 224 A HN 0.651 nan 8.150 nan 0.000 0.455 225 G N -0.604 108.157 108.800 -0.064 0.000 2.446 225 G HA2 -0.169 3.791 3.960 0.000 0.000 0.217 225 G HA3 -0.169 3.791 3.960 0.000 0.000 0.217 225 G C 1.514 176.355 174.900 -0.099 0.000 1.168 225 G CA 1.358 46.418 45.100 -0.068 0.000 0.771 225 G HN 0.568 nan 8.290 nan 0.000 0.551 226 L N 0.037 121.181 121.223 -0.132 0.000 1.961 226 L HA 0.016 4.356 4.340 0.000 0.000 0.210 226 L C 2.613 179.342 176.870 -0.235 0.000 1.072 226 L CA 1.668 56.372 54.840 -0.226 0.000 0.749 226 L CB -0.847 41.049 42.059 -0.272 0.000 0.889 226 L HN 0.169 nan 8.230 nan 0.000 0.432 227 L N -0.390 120.731 121.223 -0.170 0.000 2.030 227 L HA -0.331 4.009 4.340 0.000 0.000 0.222 227 L C 2.490 179.314 176.870 -0.078 0.000 1.082 227 L CA 2.732 57.507 54.840 -0.109 0.000 0.785 227 L CB -1.328 40.704 42.059 -0.046 0.000 0.895 227 L HN 0.486 nan 8.230 nan 0.000 0.439 228 T N -1.113 113.407 114.554 -0.056 0.000 2.635 228 T HA -0.229 4.121 4.350 0.000 0.000 0.267 228 T C 1.946 176.607 174.700 -0.066 0.000 1.040 228 T CA 1.848 63.927 62.100 -0.035 0.000 1.156 228 T CB -0.524 68.325 68.868 -0.031 0.000 0.863 228 T HN 0.451 nan 8.240 nan 0.000 0.430 229 S N 1.572 117.212 115.700 -0.099 0.000 2.369 229 S HA -0.143 4.327 4.470 0.000 0.000 0.225 229 S C 1.941 176.472 174.600 -0.114 0.000 1.043 229 S CA 1.248 59.384 58.200 -0.107 0.000 1.074 229 S CB -0.797 62.316 63.200 -0.144 0.000 0.962 229 S HN 0.265 nan 8.310 nan 0.000 0.433 230 L N 2.025 123.143 121.223 -0.175 0.000 1.971 230 L HA -0.126 4.214 4.340 0.000 0.000 0.215 230 L C 2.153 178.975 176.870 -0.081 0.000 1.072 230 L CA 1.737 56.481 54.840 -0.160 0.000 0.758 230 L CB -0.912 41.001 42.059 -0.242 0.000 0.889 230 L HN 0.321 nan 8.230 nan 0.000 0.433 231 L N -0.824 120.358 121.223 -0.068 0.000 2.013 231 L HA -0.269 4.071 4.340 0.000 0.000 0.212 231 L C 2.382 179.213 176.870 -0.064 0.000 1.073 231 L CA 1.686 56.490 54.840 -0.060 0.000 0.753 231 L CB -1.101 40.933 42.059 -0.042 0.000 0.890 231 L HN 0.352 nan 8.230 nan 0.000 0.432 232 D N 0.266 120.633 120.400 -0.056 0.000 2.104 232 D HA -0.192 4.448 4.640 0.000 0.000 0.194 232 D C 2.202 178.474 176.300 -0.047 0.000 0.994 232 D CA 1.669 55.639 54.000 -0.051 0.000 0.830 232 D CB -0.123 40.651 40.800 -0.044 0.000 0.959 232 D HN 0.345 nan 8.370 nan 0.000 0.452 233 A N 1.062 123.856 122.820 -0.042 0.000 1.851 233 A HA -0.175 4.145 4.320 0.000 0.000 0.216 233 A C 2.495 180.064 177.584 -0.026 0.000 1.195 233 A CA 1.293 53.316 52.037 -0.024 0.000 0.622 233 A CB -1.048 17.946 19.000 -0.010 0.000 0.831 233 A HN 0.226 nan 8.150 nan 0.000 0.444 234 L N -0.346 120.858 121.223 -0.032 0.000 2.081 234 L HA -0.283 4.057 4.340 0.000 0.000 0.212 234 L C 2.367 179.194 176.870 -0.073 0.000 1.080 234 L CA 1.789 56.602 54.840 -0.046 0.000 0.754 234 L CB -0.783 41.242 42.059 -0.056 0.000 0.893 234 L HN 0.530 nan 8.230 nan 0.000 0.433 235 N N -0.524 118.131 118.700 -0.076 0.000 2.104 235 N HA -0.194 4.546 4.740 0.000 0.000 0.190 235 N C 1.582 177.045 175.510 -0.079 0.000 1.024 235 N CA 1.054 54.055 53.050 -0.083 0.000 0.853 235 N CB 0.015 38.456 38.487 -0.077 0.000 1.008 235 N HN 0.348 nan 8.380 nan 0.000 0.424 236 E N 0.495 120.655 120.200 -0.066 0.000 2.338 236 E HA -0.113 4.237 4.350 0.000 0.000 0.197 236 E C 1.103 177.644 176.600 -0.098 0.000 1.007 236 E CA 0.866 57.226 56.400 -0.067 0.000 0.849 236 E CB -0.081 29.593 29.700 -0.043 0.000 0.774 236 E HN 0.598 nan 8.360 nan 0.000 0.506 237 M N -0.389 119.150 119.600 -0.102 0.000 2.419 237 M HA 0.294 4.774 4.480 0.000 0.000 0.252 237 M C 1.842 178.027 176.300 -0.192 0.000 1.143 237 M CA -0.094 55.114 55.300 -0.153 0.000 0.985 237 M CB 0.454 33.006 32.600 -0.079 0.000 1.489 237 M HN -0.061 nan 8.290 nan 0.000 0.484 238 A N 1.233 123.963 122.820 -0.150 0.000 1.927 238 A HA -0.216 4.104 4.320 0.000 0.000 0.220 238 A C 1.787 179.307 177.584 -0.107 0.000 1.185 238 A CA 2.041 54.010 52.037 -0.114 0.000 0.639 238 A CB -0.529 18.424 19.000 -0.079 0.000 0.820 238 A HN 0.441 nan 8.150 nan 0.000 0.451 239 D N -1.399 118.900 120.400 -0.168 0.000 2.309 239 D HA -0.098 4.542 4.640 0.000 0.000 0.212 239 D C 0.871 177.234 176.300 0.104 0.000 0.968 239 D CA 1.291 55.238 54.000 -0.088 0.000 0.882 239 D CB -0.240 40.477 40.800 -0.138 0.000 0.918 239 D HN 0.845 nan 8.370 nan 0.000 0.503 240 H N -1.530 117.458 119.070 -0.135 0.000 3.233 240 H HA 0.354 4.910 4.556 0.000 0.000 0.263 240 H C 0.155 175.299 175.328 -0.306 0.000 1.168 240 H CA -0.199 55.715 56.048 -0.223 0.000 1.159 240 H CB 1.486 31.080 29.762 -0.281 0.000 1.593 240 H HN -0.044 nan 8.280 nan 0.000 0.580 241 I N 0.306 120.813 120.570 -0.104 0.000 2.680 241 I HA 0.098 4.268 4.170 0.000 0.000 0.291 241 I C -1.658 174.462 176.117 0.005 0.000 1.244 241 I CA -1.079 60.187 61.300 -0.056 0.000 1.042 241 I CB 2.379 40.310 38.000 -0.115 0.000 1.277 241 I HN 0.022 nan 8.210 nan 0.000 0.423 242 Y N 8.271 128.559 120.300 -0.019 0.000 2.700 242 Y HA 0.412 4.962 4.550 0.000 0.000 0.333 242 Y C -2.199 173.669 175.900 -0.053 0.000 1.036 242 Y CA -2.042 56.022 58.100 -0.061 0.000 1.287 242 Y CB 0.923 39.314 38.460 -0.115 0.000 1.132 242 Y HN 0.321 nan 8.280 nan 0.000 0.510 243 P HA 0.114 nan 4.420 nan 0.000 0.272 243 P C -0.963 176.264 177.300 -0.122 0.000 1.230 243 P CA -0.149 62.900 63.100 -0.085 0.000 0.788 243 P CB 1.426 33.060 31.700 -0.110 0.000 0.949 244 S N 0.589 116.235 115.700 -0.090 0.000 2.746 244 S HA 0.301 4.771 4.470 0.000 0.000 0.273 244 S C -0.398 173.956 174.600 -0.411 0.000 1.172 244 S CA -0.558 57.479 58.200 -0.272 0.000 1.116 244 S CB 0.632 63.722 63.200 -0.183 0.000 1.057 244 S HN 0.194 nan 8.310 nan 0.000 0.483 245 V N 4.298 123.978 119.914 -0.390 0.000 2.370 245 V HA 0.513 4.633 4.120 0.000 0.000 0.279 245 V C -0.892 175.004 176.094 -0.330 0.000 1.029 245 V CA -0.498 61.675 62.300 -0.212 0.000 0.870 245 V CB 0.444 32.249 31.823 -0.029 0.000 0.984 245 V HN 0.730 nan 8.190 nan 0.000 0.451 246 F N 3.874 123.932 119.950 0.179 0.000 2.388 246 F HA 0.557 5.085 4.527 0.000 0.000 0.358 246 F C 0.098 176.002 175.800 0.174 0.000 1.122 246 F CA -0.798 57.301 58.000 0.164 0.000 1.056 246 F CB 1.598 40.681 39.000 0.139 0.000 1.155 246 F HN 0.161 nan 8.300 nan 0.000 0.461 247 V N 3.345 123.459 119.914 0.334 0.000 2.357 247 V HA 0.866 4.986 4.120 0.000 0.000 0.284 247 V C 0.249 176.539 176.094 0.326 0.000 1.018 247 V CA -0.356 62.097 62.300 0.254 0.000 0.841 247 V CB 0.967 32.906 31.823 0.193 0.000 0.991 247 V HN 0.943 nan 8.190 nan 0.000 0.437 248 G N 3.180 112.089 108.800 0.182 0.000 2.788 248 G HA2 0.765 4.725 3.960 0.000 0.000 0.293 248 G HA3 0.765 4.725 3.960 0.000 0.000 0.293 248 G C -1.237 173.690 174.900 0.045 0.000 1.392 248 G CA -0.347 44.894 45.100 0.235 0.000 0.810 248 G HN 1.004 nan 8.290 nan 0.000 0.508 249 V N -0.549 119.433 119.914 0.113 0.000 2.531 249 V HA 0.647 4.768 4.120 0.000 0.000 0.301 249 V C -0.274 175.872 176.094 0.087 0.000 1.034 249 V CA -0.835 61.496 62.300 0.052 0.000 0.865 249 V CB 0.936 32.786 31.823 0.045 0.000 0.995 249 V HN 0.958 nan 8.190 nan 0.000 0.424 250 D N 2.145 122.580 120.400 0.059 0.000 2.314 250 D HA 0.038 4.678 4.640 0.000 0.000 0.252 250 D C 1.039 177.375 176.300 0.060 0.000 1.295 250 D CA 0.259 54.294 54.000 0.057 0.000 0.995 250 D CB 0.601 41.425 40.800 0.039 0.000 1.125 250 D HN 0.747 nan 8.370 nan 0.000 0.537 251 E N -1.289 118.943 120.200 0.052 0.000 2.333 251 E HA -0.178 4.172 4.350 0.000 0.000 0.198 251 E C 0.405 177.032 176.600 0.045 0.000 1.007 251 E CA 0.696 57.127 56.400 0.053 0.000 0.845 251 E CB -0.062 29.664 29.700 0.044 0.000 0.766 251 E HN 0.315 nan 8.360 nan 0.000 0.507 252 N N 0.761 119.483 118.700 0.037 0.000 2.295 252 N HA 0.047 4.787 4.740 0.000 0.000 0.221 252 N C -0.304 175.224 175.510 0.029 0.000 1.129 252 N CA 0.044 53.112 53.050 0.030 0.000 0.836 252 N CB 0.711 39.212 38.487 0.024 0.000 1.040 252 N HN 0.041 nan 8.380 nan 0.000 0.494 253 R N -0.960 119.562 120.500 0.037 0.000 4.000 253 R HA -0.176 4.164 4.340 0.000 0.000 0.362 253 R C -0.120 176.189 176.300 0.015 0.000 1.183 253 R CA 0.647 56.767 56.100 0.033 0.000 1.011 253 R CB -2.596 27.721 30.300 0.027 0.000 1.501 253 R HN 0.339 nan 8.270 nan 0.000 0.553 254 A N 1.646 124.476 122.820 0.017 0.000 2.362 254 A HA 0.543 4.863 4.320 0.000 0.000 0.276 254 A C -2.019 175.565 177.584 0.001 0.000 1.153 254 A CA -1.196 50.846 52.037 0.009 0.000 0.813 254 A CB 0.436 19.447 19.000 0.018 0.000 1.081 254 A HN -0.145 nan 8.150 nan 0.000 0.507 255 P HA 0.133 nan 4.420 nan 0.000 0.267 255 P C -0.405 176.904 177.300 0.014 0.000 1.209 255 P CA 0.453 63.529 63.100 -0.041 0.000 0.763 255 P CB 0.803 32.469 31.700 -0.057 0.000 0.816 256 S N 2.056 117.773 115.700 0.028 0.000 2.594 256 S HA 0.619 5.089 4.470 0.000 0.000 0.296 256 S C -0.822 173.864 174.600 0.143 0.000 1.124 256 S CA -0.759 57.495 58.200 0.091 0.000 1.011 256 S CB 0.871 64.119 63.200 0.080 0.000 1.016 256 S HN 0.083 nan 8.310 nan 0.000 0.485 257 V N 3.140 123.194 119.914 0.234 0.000 2.487 257 V HA 0.686 4.807 4.120 0.000 0.000 0.298 257 V C -0.387 175.989 176.094 0.471 0.000 1.028 257 V CA -0.264 62.236 62.300 0.333 0.000 0.860 257 V CB 1.935 33.947 31.823 0.314 0.000 0.991 257 V HN 1.065 nan 8.190 nan 0.000 0.427 258 T N 4.003 118.823 114.554 0.443 0.000 2.881 258 T HA 0.533 4.883 4.350 0.000 0.000 0.290 258 T C -0.943 174.079 174.700 0.536 0.000 1.000 258 T CA -0.362 61.998 62.100 0.433 0.000 0.978 258 T CB 1.947 71.008 68.868 0.323 0.000 0.997 258 T HN 0.468 nan 8.240 nan 0.000 0.443 259 V N 2.609 122.824 119.914 0.502 0.000 2.581 259 V HA 0.737 4.857 4.120 0.000 0.000 0.303 259 V C -0.596 175.753 176.094 0.425 0.000 1.041 259 V CA -0.612 61.940 62.300 0.419 0.000 0.907 259 V CB 1.371 33.444 31.823 0.415 0.000 0.994 259 V HN 1.115 nan 8.190 nan 0.000 0.442 260 C N 7.638 127.156 119.300 0.363 0.000 2.345 260 C HA 0.877 5.337 4.460 0.000 0.000 0.323 260 C C -0.497 174.560 174.990 0.111 0.000 1.276 260 C CA 0.066 59.202 59.018 0.198 0.000 1.543 260 C CB 0.005 28.026 27.740 0.468 0.000 2.211 260 C HN 1.163 nan 8.230 nan 0.000 0.493 261 V N 3.495 123.413 119.914 0.007 0.000 3.007 261 V HA 1.015 5.135 4.120 0.000 0.000 0.311 261 V C -0.161 175.960 176.094 0.046 0.000 1.120 261 V CA -0.116 62.244 62.300 0.099 0.000 0.980 261 V CB 1.753 33.633 31.823 0.096 0.000 1.033 261 V HN 1.237 nan 8.190 nan 0.000 0.429 262 G N 0.944 109.818 108.800 0.124 0.000 3.003 262 G HA2 0.378 4.338 3.960 0.000 0.000 0.293 262 G HA3 0.378 4.338 3.960 0.000 0.000 0.293 262 G C -0.871 174.085 174.900 0.093 0.000 1.553 262 G CA -0.416 44.674 45.100 -0.016 0.000 1.078 262 G HN 0.999 nan 8.290 nan 0.000 0.550 263 H N 3.391 122.481 119.070 0.033 0.000 2.819 263 H HA 0.178 4.735 4.556 0.000 0.000 0.303 263 H C 0.919 176.264 175.328 0.029 0.000 1.058 263 H CA -0.027 56.057 56.048 0.059 0.000 1.471 263 H CB 1.376 31.168 29.762 0.050 0.000 1.480 263 H HN 0.357 nan 8.280 nan 0.000 0.517 264 L N 3.911 125.203 121.223 0.115 0.000 2.446 264 L HA 0.140 4.480 4.340 0.000 0.000 0.219 264 L C 1.688 178.563 176.870 0.008 0.000 1.116 264 L CA 0.333 55.205 54.840 0.053 0.000 0.844 264 L CB -0.102 41.936 42.059 -0.034 0.000 0.970 264 L HN 0.544 nan 8.230 nan 0.000 0.457 265 G N -0.079 108.797 108.800 0.127 0.000 2.684 265 G HA2 0.313 4.273 3.960 0.000 0.000 0.255 265 G HA3 0.313 4.273 3.960 0.000 0.000 0.255 265 G C 0.267 175.105 174.900 -0.102 0.000 1.219 265 G CA -0.007 44.964 45.100 -0.216 0.000 0.901 265 G HN 0.193 nan 8.290 nan 0.000 0.548 266 G N -1.116 107.603 108.800 -0.134 0.000 2.380 266 G HA2 0.251 4.211 3.960 0.000 0.000 0.242 266 G HA3 0.251 4.211 3.960 0.000 0.000 0.242 266 G C 1.139 175.983 174.900 -0.093 0.000 1.298 266 G CA -0.608 44.443 45.100 -0.081 0.000 0.878 266 G HN 0.552 nan 8.290 nan 0.000 0.542 267 L N 1.516 122.690 121.223 -0.080 0.000 2.556 267 L HA -0.103 4.237 4.340 0.000 0.000 0.230 267 L C 2.262 179.080 176.870 -0.088 0.000 1.163 267 L CA 1.285 56.068 54.840 -0.095 0.000 0.819 267 L CB -0.339 41.684 42.059 -0.060 0.000 0.939 267 L HN 0.746 nan 8.230 nan 0.000 0.452 268 D N 0.222 120.584 120.400 -0.063 0.000 2.183 268 D HA -0.126 4.514 4.640 0.000 0.000 0.205 268 D C 2.044 178.316 176.300 -0.047 0.000 0.962 268 D CA 0.797 54.771 54.000 -0.043 0.000 0.849 268 D CB -0.118 40.669 40.800 -0.022 0.000 0.978 268 D HN 0.382 nan 8.370 nan 0.000 0.488 269 I N 1.137 121.679 120.570 -0.047 0.000 2.480 269 I HA -0.062 4.108 4.170 0.000 0.000 0.251 269 I C 2.713 178.744 176.117 -0.143 0.000 1.124 269 I CA 0.700 61.992 61.300 -0.012 0.000 1.444 269 I CB -0.167 37.903 38.000 0.116 0.000 1.098 269 I HN -0.017 nan 8.210 nan 0.000 0.428 270 A N 0.548 123.154 122.820 -0.357 0.000 1.902 270 A HA -0.181 4.139 4.320 0.000 0.000 0.217 270 A C 2.208 179.602 177.584 -0.317 0.000 1.181 270 A CA 1.401 52.981 52.037 -0.762 0.000 0.623 270 A CB -0.362 18.258 19.000 -0.634 0.000 0.818 270 A HN 0.274 nan 8.150 nan 0.000 0.443 271 E N -0.379 119.722 120.200 -0.166 0.000 2.150 271 E HA -0.174 4.176 4.350 0.000 0.000 0.193 271 E C 2.129 178.703 176.600 -0.043 0.000 0.985 271 E CA 0.944 57.296 56.400 -0.080 0.000 0.814 271 E CB -0.309 29.360 29.700 -0.053 0.000 0.752 271 E HN 0.702 nan 8.360 nan 0.000 0.466 272 R N 1.050 121.526 120.500 -0.040 0.000 2.064 272 R HA -0.154 4.186 4.340 0.000 0.000 0.228 272 R C 1.599 177.911 176.300 0.021 0.000 1.144 272 R CA 1.987 58.085 56.100 -0.002 0.000 0.932 272 R CB -0.189 30.115 30.300 0.007 0.000 0.833 272 R HN -0.051 nan 8.270 nan 0.000 0.429 273 D N 0.827 121.247 120.400 0.034 0.000 2.154 273 D HA -0.219 4.421 4.640 0.000 0.000 0.190 273 D C 1.874 178.234 176.300 0.101 0.000 1.003 273 D CA 1.669 55.728 54.000 0.099 0.000 0.849 273 D CB -0.249 40.687 40.800 0.225 0.000 0.942 273 D HN 0.260 nan 8.370 nan 0.000 0.446 274 I N 0.738 121.354 120.570 0.076 0.000 2.335 274 I HA -0.208 3.962 4.170 0.000 0.000 0.251 274 I C 2.370 178.533 176.117 0.077 0.000 1.129 274 I CA 0.828 62.177 61.300 0.083 0.000 1.402 274 I CB -1.376 36.651 38.000 0.044 0.000 1.069 274 I HN -0.063 nan 8.210 nan 0.000 0.424 275 A N 0.832 123.685 122.820 0.054 0.000 1.877 275 A HA -0.235 4.085 4.320 0.000 0.000 0.216 275 A C 2.572 180.200 177.584 0.072 0.000 1.186 275 A CA 1.738 53.807 52.037 0.052 0.000 0.620 275 A CB -0.647 18.373 19.000 0.033 0.000 0.822 275 A HN 0.329 nan 8.150 nan 0.000 0.443 276 R N -0.277 120.266 120.500 0.072 0.000 2.080 276 R HA -0.099 4.241 4.340 0.000 0.000 0.236 276 R C 2.073 178.440 176.300 0.112 0.000 1.137 276 R CA 1.743 57.888 56.100 0.074 0.000 0.943 276 R CB -0.500 29.836 30.300 0.059 0.000 0.846 276 R HN 0.526 nan 8.270 nan 0.000 0.431 277 L N 0.131 121.441 121.223 0.146 0.000 2.081 277 L HA -0.235 4.105 4.340 0.000 0.000 0.212 277 L C 2.707 179.783 176.870 0.344 0.000 1.080 277 L CA 1.650 56.635 54.840 0.243 0.000 0.754 277 L CB -0.469 41.747 42.059 0.263 0.000 0.893 277 L HN 0.278 nan 8.230 nan 0.000 0.433 278 R N -0.217 120.419 120.500 0.227 0.000 2.092 278 R HA -0.057 4.283 4.340 0.000 0.000 0.231 278 R C 2.062 178.490 176.300 0.213 0.000 1.119 278 R CA 1.123 57.346 56.100 0.205 0.000 0.970 278 R CB -0.469 29.897 30.300 0.109 0.000 0.864 278 R HN 0.374 nan 8.270 nan 0.000 0.440 279 G N 0.105 108.997 108.800 0.153 0.000 3.124 279 G HA2 0.004 3.964 3.960 0.000 0.000 0.212 279 G HA3 0.004 3.964 3.960 0.000 0.000 0.212 279 G C 1.102 176.066 174.900 0.106 0.000 1.181 279 G CA -0.178 44.992 45.100 0.117 0.000 0.803 279 G HN 0.118 nan 8.290 nan 0.000 0.529 280 L N -0.433 120.873 121.223 0.138 0.000 2.240 280 L HA 0.289 4.629 4.340 0.000 0.000 0.211 280 L C 1.429 178.291 176.870 -0.013 0.000 1.106 280 L CA 0.819 55.669 54.840 0.015 0.000 0.793 280 L CB -0.094 41.896 42.059 -0.114 0.000 0.927 280 L HN 0.337 nan 8.230 nan 0.000 0.446 281 G N -1.016 107.871 108.800 0.145 0.000 2.349 281 G HA2 0.288 4.248 3.960 0.000 0.000 0.294 281 G HA3 0.288 4.248 3.960 0.000 0.000 0.294 281 G C -1.678 173.425 174.900 0.338 0.000 1.380 281 G CA -0.882 44.307 45.100 0.148 0.000 0.811 281 G HN -0.171 nan 8.290 nan 0.000 0.519 282 R N 1.101 121.764 120.500 0.272 0.000 2.345 282 R HA 0.463 4.803 4.340 0.000 0.000 0.331 282 R C 0.918 177.381 176.300 0.272 0.000 1.067 282 R CA 0.396 56.630 56.100 0.224 0.000 0.962 282 R CB -0.665 29.717 30.300 0.136 0.000 0.987 282 R HN 0.817 nan 8.270 nan 0.000 0.451 283 T N 0.054 114.677 114.554 0.115 0.000 2.909 283 T HA 0.313 4.663 4.350 0.000 0.000 0.289 283 T C 0.930 175.563 174.700 -0.111 0.000 1.005 283 T CA -0.875 61.123 62.100 -0.170 0.000 1.084 283 T CB 1.562 70.246 68.868 -0.307 0.000 0.975 283 T HN 0.196 nan 8.240 nan 0.000 0.509 284 V N 1.759 121.578 119.914 -0.158 0.000 2.521 284 V HA 0.193 4.313 4.120 0.000 0.000 0.239 284 V C 1.175 177.211 176.094 -0.098 0.000 1.053 284 V CA 0.583 62.832 62.300 -0.085 0.000 1.073 284 V CB 0.112 31.902 31.823 -0.055 0.000 0.746 284 V HN 0.962 nan 8.190 nan 0.000 0.476 285 S N 0.131 115.743 115.700 -0.145 0.000 2.568 285 S HA 0.616 5.086 4.470 0.000 0.000 0.302 285 S C -1.009 173.511 174.600 -0.133 0.000 1.082 285 S CA -0.425 57.711 58.200 -0.107 0.000 1.009 285 S CB 2.099 65.252 63.200 -0.079 0.000 1.069 285 S HN 0.488 nan 8.310 nan 0.000 0.500 286 D N 0.935 121.297 120.400 -0.064 0.000 2.354 286 D HA 0.141 4.781 4.640 0.000 0.000 0.230 286 D C -0.303 175.999 176.300 0.003 0.000 1.361 286 D CA -0.287 53.685 54.000 -0.047 0.000 0.992 286 D CB 0.915 41.679 40.800 -0.058 0.000 1.409 286 D HN 0.474 nan 8.370 nan 0.000 0.573 287 S N 2.839 118.567 115.700 0.047 0.000 2.575 287 S HA 0.208 4.679 4.470 0.000 0.000 0.237 287 S C 1.066 175.682 174.600 0.027 0.000 0.975 287 S CA -0.497 57.738 58.200 0.059 0.000 0.960 287 S CB -0.063 63.216 63.200 0.131 0.000 0.822 287 S HN 0.382 nan 8.310 nan 0.000 0.472 288 I N 3.209 123.783 120.570 0.006 0.000 2.880 288 I HA 0.401 4.571 4.170 0.000 0.000 0.296 288 I C 0.760 176.869 176.117 -0.012 0.000 1.220 288 I CA 0.304 61.595 61.300 -0.014 0.000 1.435 288 I CB -0.582 37.418 38.000 -0.001 0.000 1.339 288 I HN 0.533 nan 8.210 nan 0.000 0.583 289 A N 5.825 128.630 122.820 -0.024 0.000 2.586 289 A HA 0.578 4.898 4.320 0.000 0.000 0.291 289 A C -1.118 176.449 177.584 -0.028 0.000 1.062 289 A CA -0.635 51.389 52.037 -0.020 0.000 0.666 289 A CB 0.736 19.726 19.000 -0.016 0.000 1.281 289 A HN 0.266 nan 8.150 nan 0.000 0.421 290 V N 1.223 121.124 119.914 -0.022 0.000 2.614 290 V HA 0.624 4.744 4.120 0.000 0.000 0.291 290 V C 0.459 176.537 176.094 -0.027 0.000 1.049 290 V CA 0.266 62.552 62.300 -0.023 0.000 1.038 290 V CB 0.593 32.406 31.823 -0.017 0.000 0.980 290 V HN 0.945 nan 8.190 nan 0.000 0.481 291 R N 2.149 122.630 120.500 -0.033 0.000 2.747 291 R HA 0.575 4.915 4.340 0.000 0.000 0.272 291 R C -0.997 175.286 176.300 -0.028 0.000 1.032 291 R CA -0.724 55.353 56.100 -0.039 0.000 0.896 291 R CB 1.739 31.998 30.300 -0.068 0.000 1.253 291 R HN 0.730 nan 8.270 nan 0.000 0.461 292 S N -0.353 115.333 115.700 -0.023 0.000 2.578 292 S HA 0.156 4.626 4.470 0.000 0.000 0.283 292 S C 0.668 175.271 174.600 0.005 0.000 1.195 292 S CA -0.738 57.469 58.200 0.012 0.000 1.050 292 S CB 1.014 64.227 63.200 0.023 0.000 1.012 292 S HN 0.720 nan 8.310 nan 0.000 0.511 293 Y N 2.848 123.108 120.300 -0.066 0.000 2.062 293 Y HA -0.346 4.204 4.550 0.000 0.000 0.273 293 Y C 2.163 178.013 175.900 -0.083 0.000 1.206 293 Y CA 2.859 60.905 58.100 -0.089 0.000 1.125 293 Y CB -0.701 37.740 38.460 -0.031 0.000 0.951 293 Y HN 0.905 nan 8.280 nan 0.000 0.501 294 D N -0.665 119.675 120.400 -0.100 0.000 2.182 294 D HA -0.224 4.416 4.640 0.000 0.000 0.201 294 D C 1.606 177.798 176.300 -0.180 0.000 0.986 294 D CA 1.800 55.703 54.000 -0.162 0.000 0.847 294 D CB -0.606 40.184 40.800 -0.017 0.000 0.942 294 D HN 0.633 nan 8.370 nan 0.000 0.467 295 E N 0.469 120.584 120.200 -0.142 0.000 2.047 295 E HA -0.101 4.249 4.350 0.000 0.000 0.191 295 E C 2.556 179.053 176.600 -0.171 0.000 0.987 295 E CA 0.962 57.291 56.400 -0.118 0.000 0.799 295 E CB 0.078 29.728 29.700 -0.083 0.000 0.752 295 E HN 0.171 nan 8.360 nan 0.000 0.449 296 V N 1.164 120.914 119.914 -0.272 0.000 2.255 296 V HA -0.231 3.889 4.120 0.000 0.000 0.247 296 V C 2.361 178.257 176.094 -0.330 0.000 1.051 296 V CA 1.425 63.500 62.300 -0.374 0.000 1.018 296 V CB -0.568 30.874 31.823 -0.635 0.000 0.641 296 V HN 0.125 nan 8.190 nan 0.000 0.445 297 V N 0.261 119.926 119.914 -0.415 0.000 2.982 297 V HA -0.188 3.932 4.120 0.000 0.000 0.265 297 V C 2.367 178.387 176.094 -0.124 0.000 1.122 297 V CA 1.720 63.893 62.300 -0.212 0.000 1.143 297 V CB -0.922 30.687 31.823 -0.357 0.000 0.726 297 V HN 0.574 nan 8.190 nan 0.000 0.507 298 A N -0.663 122.079 122.820 -0.130 0.000 2.115 298 A HA 0.128 4.448 4.320 0.000 0.000 0.211 298 A C 1.787 179.345 177.584 -0.043 0.000 1.169 298 A CA 0.300 52.289 52.037 -0.079 0.000 0.787 298 A CB -0.190 18.774 19.000 -0.060 0.000 0.858 298 A HN 0.433 nan 8.150 nan 0.000 0.474 299 L N 0.082 121.284 121.223 -0.034 0.000 2.633 299 L HA 0.089 4.429 4.340 0.000 0.000 0.235 299 L C 0.859 177.792 176.870 0.106 0.000 1.163 299 L CA 1.362 56.227 54.840 0.042 0.000 0.859 299 L CB -0.882 41.188 42.059 0.019 0.000 0.973 299 L HN 0.331 nan 8.230 nan 0.000 0.451 300 N N -1.506 117.207 118.700 0.021 0.000 2.348 300 N HA 0.200 4.940 4.740 0.000 0.000 0.183 300 N C 1.739 177.102 175.510 -0.245 0.000 1.094 300 N CA 0.733 53.777 53.050 -0.009 0.000 0.885 300 N CB 0.168 38.668 38.487 0.021 0.000 1.065 300 N HN 0.334 nan 8.380 nan 0.000 0.472 301 A N 0.980 123.603 122.820 -0.328 0.000 1.968 301 A HA -0.073 4.247 4.320 0.000 0.000 0.217 301 A C 1.802 179.268 177.584 -0.197 0.000 1.169 301 A CA 1.108 52.926 52.037 -0.366 0.000 0.638 301 A CB -0.239 18.665 19.000 -0.160 0.000 0.812 301 A HN 0.283 nan 8.150 nan 0.000 0.446 302 E N 0.192 120.376 120.200 -0.026 0.000 2.006 302 E HA -0.150 4.200 4.350 0.000 0.000 0.192 302 E C 2.049 178.586 176.600 -0.105 0.000 0.993 302 E CA 1.692 58.156 56.400 0.108 0.000 0.808 302 E CB -0.627 29.162 29.700 0.148 0.000 0.764 302 E HN 0.575 nan 8.360 nan 0.000 0.449 303 V N 0.326 120.193 119.914 -0.079 0.000 2.688 303 V HA -0.053 4.067 4.120 0.000 0.000 0.256 303 V C 1.250 177.231 176.094 -0.188 0.000 1.084 303 V CA 1.125 63.341 62.300 -0.139 0.000 1.103 303 V CB -1.658 30.083 31.823 -0.137 0.000 0.688 303 V HN 0.167 nan 8.190 nan 0.000 0.480 304 G N 0.582 109.257 108.800 -0.208 0.000 2.353 304 G HA2 0.220 4.180 3.960 0.000 0.000 0.239 304 G HA3 0.220 4.180 3.960 0.000 0.000 0.239 304 G C 0.079 174.779 174.900 -0.334 0.000 1.295 304 G CA 0.580 45.607 45.100 -0.122 0.000 0.884 304 G HN 0.534 nan 8.290 nan 0.000 0.537 305 S N 1.344 116.990 115.700 -0.090 0.000 2.466 305 S HA 0.115 4.585 4.470 0.000 0.000 0.286 305 S C 0.912 175.486 174.600 -0.043 0.000 1.221 305 S CA -0.567 57.596 58.200 -0.061 0.000 1.091 305 S CB -0.297 62.929 63.200 0.042 0.000 0.956 305 S HN 0.388 nan 8.310 nan 0.000 0.501 306 F N 2.528 122.540 119.950 0.103 0.000 2.771 306 F HA 0.177 4.704 4.527 0.000 0.000 0.299 306 F C 1.376 177.196 175.800 0.034 0.000 1.177 306 F CA 0.024 58.076 58.000 0.087 0.000 1.450 306 F CB -0.180 38.857 39.000 0.061 0.000 1.114 306 F HN 0.504 nan 8.300 nan 0.000 0.587 307 E N 1.529 121.809 120.200 0.133 0.000 2.029 307 E HA 0.084 4.434 4.350 0.000 0.000 0.276 307 E C -0.662 175.901 176.600 -0.061 0.000 1.163 307 E CA -0.079 56.338 56.400 0.030 0.000 0.909 307 E CB -0.132 29.562 29.700 -0.009 0.000 1.046 307 E HN 0.257 nan 8.360 nan 0.000 0.406 308 D N 2.058 122.419 120.400 -0.065 0.000 2.451 308 D HA 0.492 5.133 4.640 0.000 0.000 0.259 308 D C 1.020 177.188 176.300 -0.221 0.000 1.201 308 D CA 0.623 54.524 54.000 -0.165 0.000 1.028 308 D CB 0.693 41.435 40.800 -0.097 0.000 1.095 308 D HN 0.560 nan 8.370 nan 0.000 0.539 309 G N -0.497 108.132 108.800 -0.285 0.000 2.189 309 G HA2 -0.279 3.681 3.960 0.000 0.000 0.267 309 G HA3 -0.279 3.681 3.960 0.000 0.000 0.267 309 G C 0.214 174.893 174.900 -0.369 0.000 0.975 309 G CA 0.021 44.956 45.100 -0.274 0.000 0.644 309 G HN 0.241 nan 8.290 nan 0.000 0.537 310 M N 1.127 120.448 119.600 -0.464 0.000 2.245 310 M HA 0.387 4.867 4.480 0.000 0.000 0.344 310 M C 0.687 176.528 176.300 -0.765 0.000 1.170 310 M CA 0.390 55.354 55.300 -0.561 0.000 1.135 310 M CB 0.888 33.182 32.600 -0.510 0.000 1.574 310 M HN 0.106 nan 8.290 nan 0.000 0.452 311 S N 3.254 118.359 115.700 -0.991 0.000 2.525 311 S HA 0.544 5.014 4.470 0.000 0.000 0.290 311 S C -0.189 173.611 174.600 -1.334 0.000 1.152 311 S CA -0.925 56.523 58.200 -1.254 0.000 1.072 311 S CB 0.991 63.174 63.200 -1.695 0.000 1.027 311 S HN 0.564 nan 8.310 nan 0.000 0.500 312 N N 1.467 119.612 118.700 -0.926 0.000 2.240 312 N HA 0.556 5.296 4.740 0.000 0.000 0.302 312 N C -1.680 173.617 175.510 -0.356 0.000 1.106 312 N CA -0.662 52.052 53.050 -0.559 0.000 0.778 312 N CB 2.313 40.500 38.487 -0.499 0.000 1.431 312 N HN 0.361 nan 8.380 nan 0.000 0.479 313 L N 1.332 122.564 121.223 0.015 0.000 2.406 313 L HA 0.613 4.953 4.340 0.000 0.000 0.272 313 L C -1.970 175.091 176.870 0.318 0.000 0.980 313 L CA -0.479 54.455 54.840 0.156 0.000 0.831 313 L CB 1.028 43.315 42.059 0.379 0.000 1.253 313 L HN 0.473 nan 8.230 nan 0.000 0.406 314 W N 6.896 128.285 121.300 0.148 0.000 2.619 314 W HA 0.596 5.256 4.660 0.000 0.000 0.327 314 W C -0.880 175.709 176.519 0.117 0.000 1.027 314 W CA -1.123 56.299 57.345 0.129 0.000 1.233 314 W CB 1.539 31.069 29.460 0.117 0.000 1.370 314 W HN 0.325 nan 8.180 nan 0.000 0.453 315 I N 2.750 123.523 120.570 0.338 0.000 2.420 315 I HA 0.115 4.285 4.170 0.000 0.000 0.282 315 I C -0.564 175.698 176.117 0.241 0.000 1.019 315 I CA -0.402 61.069 61.300 0.285 0.000 1.130 315 I CB 1.456 39.602 38.000 0.243 0.000 1.262 315 I HN 0.218 nan 8.210 nan 0.000 0.454 316 D N 6.136 126.694 120.400 0.264 0.000 2.193 316 D HA 0.608 5.248 4.640 0.000 0.000 0.244 316 D C -0.428 175.969 176.300 0.161 0.000 1.064 316 D CA -0.224 53.879 54.000 0.172 0.000 0.845 316 D CB 1.236 42.106 40.800 0.116 0.000 1.148 316 D HN 0.407 nan 8.370 nan 0.000 0.464 317 R N 1.942 122.470 120.500 0.047 0.000 2.846 317 R HA 0.502 4.842 4.340 0.000 0.000 0.263 317 R C -0.841 175.428 176.300 -0.053 0.000 1.080 317 R CA -0.952 55.124 56.100 -0.040 0.000 0.961 317 R CB 1.473 31.718 30.300 -0.093 0.000 1.231 317 R HN 0.402 nan 8.270 nan 0.000 0.465 318 E N 0.570 120.715 120.200 -0.091 0.000 2.227 318 E HA 0.366 4.717 4.350 0.000 0.000 0.268 318 E C -0.565 175.940 176.600 -0.157 0.000 0.907 318 E CA -0.733 55.591 56.400 -0.127 0.000 0.786 318 E CB 2.071 31.695 29.700 -0.126 0.000 1.191 318 E HN 0.304 nan 8.360 nan 0.000 0.411 319 I N 2.122 122.536 120.570 -0.260 0.000 2.821 319 I HA -0.136 4.034 4.170 0.000 0.000 0.294 319 I C 0.861 176.870 176.117 -0.180 0.000 1.210 319 I CA 0.706 61.800 61.300 -0.342 0.000 1.430 319 I CB 0.516 38.182 38.000 -0.558 0.000 1.356 319 I HN 0.668 nan 8.210 nan 0.000 0.563 320 A N 7.676 130.440 122.820 -0.093 0.000 2.431 320 A HA 0.383 4.703 4.320 0.000 0.000 0.239 320 A C 0.585 178.151 177.584 -0.031 0.000 1.230 320 A CA 0.073 52.075 52.037 -0.057 0.000 0.928 320 A CB 0.361 19.339 19.000 -0.037 0.000 1.006 320 A HN 0.636 nan 8.150 nan 0.000 0.520 321 M N -0.610 118.985 119.600 -0.009 0.000 2.755 321 M HA 0.432 4.912 4.480 0.000 0.000 0.298 321 M C -2.865 173.438 176.300 0.004 0.000 1.251 321 M CA -2.173 53.136 55.300 0.016 0.000 0.817 321 M CB 0.562 33.200 32.600 0.065 0.000 1.760 321 M HN -0.231 nan 8.290 nan 0.000 0.473 322 P HA 0.152 nan 4.420 nan 0.000 0.269 322 P C 0.276 177.597 177.300 0.036 0.000 1.209 322 P CA 0.037 63.138 63.100 0.001 0.000 0.776 322 P CB 0.447 32.148 31.700 0.001 0.000 0.876 323 N N 1.851 120.558 118.700 0.011 0.000 2.073 323 N HA -0.273 4.467 4.740 0.000 0.000 0.199 323 N C 1.700 177.278 175.510 0.114 0.000 1.023 323 N CA 2.223 55.306 53.050 0.054 0.000 0.880 323 N CB -1.108 37.382 38.487 0.004 0.000 1.052 323 N HN 0.465 nan 8.380 nan 0.000 0.449 324 A N 1.035 123.886 122.820 0.052 0.000 1.859 324 A HA -0.211 4.109 4.320 0.000 0.000 0.217 324 A C 2.320 179.931 177.584 0.045 0.000 1.198 324 A CA 2.175 54.233 52.037 0.034 0.000 0.629 324 A CB -0.682 18.323 19.000 0.009 0.000 0.830 324 A HN 0.242 nan 8.150 nan 0.000 0.446 325 R N -0.899 119.633 120.500 0.052 0.000 2.096 325 R HA -0.179 4.161 4.340 0.000 0.000 0.240 325 R C 1.836 178.178 176.300 0.070 0.000 1.139 325 R CA 2.240 58.369 56.100 0.048 0.000 0.952 325 R CB -1.162 29.167 30.300 0.048 0.000 0.854 325 R HN 0.543 nan 8.270 nan 0.000 0.436 326 F N 0.538 120.474 119.950 -0.024 0.000 2.095 326 F HA -0.127 4.400 4.527 0.000 0.000 0.298 326 F C 2.003 177.795 175.800 -0.014 0.000 1.104 326 F CA 1.789 59.778 58.000 -0.019 0.000 1.232 326 F CB -0.851 38.133 39.000 -0.026 0.000 0.987 326 F HN 0.138 nan 8.300 nan 0.000 0.475 327 A N 0.147 122.988 122.820 0.036 0.000 1.859 327 A HA -0.305 4.015 4.320 0.000 0.000 0.217 327 A C 2.229 179.728 177.584 -0.142 0.000 1.198 327 A CA 2.043 54.038 52.037 -0.070 0.000 0.629 327 A CB -1.359 17.650 19.000 0.015 0.000 0.830 327 A HN 0.598 nan 8.150 nan 0.000 0.446 328 E N -0.379 119.773 120.200 -0.081 0.000 2.048 328 E HA -0.232 4.118 4.350 0.000 0.000 0.202 328 E C 2.207 178.744 176.600 -0.105 0.000 1.021 328 E CA 1.573 57.928 56.400 -0.075 0.000 0.825 328 E CB -0.362 29.312 29.700 -0.042 0.000 0.756 328 E HN 0.535 nan 8.360 nan 0.000 0.454 329 A N 1.312 124.057 122.820 -0.124 0.000 1.903 329 A HA -0.247 4.073 4.320 0.000 0.000 0.219 329 A C 2.160 179.649 177.584 -0.158 0.000 1.191 329 A CA 1.898 53.856 52.037 -0.131 0.000 0.638 329 A CB -0.783 18.133 19.000 -0.141 0.000 0.823 329 A HN 0.391 nan 8.150 nan 0.000 0.451 330 I N -0.143 120.263 120.570 -0.272 0.000 2.069 330 I HA -0.334 3.836 4.170 0.000 0.000 0.237 330 I C 3.014 179.063 176.117 -0.114 0.000 1.053 330 I CA 1.803 62.979 61.300 -0.208 0.000 1.311 330 I CB -1.768 36.059 38.000 -0.288 0.000 1.030 330 I HN 0.396 nan 8.210 nan 0.000 0.398 331 A N 0.903 123.640 122.820 -0.138 0.000 1.997 331 A HA -0.185 4.135 4.320 0.000 0.000 0.221 331 A C 2.310 179.849 177.584 -0.075 0.000 1.172 331 A CA 2.052 54.019 52.037 -0.118 0.000 0.645 331 A CB -1.402 17.539 19.000 -0.099 0.000 0.813 331 A HN 0.550 nan 8.150 nan 0.000 0.454 332 G N -1.760 107.006 108.800 -0.058 0.000 2.848 332 G HA2 0.013 3.973 3.960 0.000 0.000 0.208 332 G HA3 0.013 3.973 3.960 0.000 0.000 0.208 332 G C 0.733 175.633 174.900 0.001 0.000 1.152 332 G CA 0.459 45.541 45.100 -0.030 0.000 0.789 332 G HN 0.535 nan 8.290 nan 0.000 0.531 333 N N 0.022 118.742 118.700 0.033 0.000 2.305 333 N HA 0.141 4.881 4.740 0.000 0.000 0.248 333 N C 1.579 177.226 175.510 0.227 0.000 1.290 333 N CA -0.157 52.956 53.050 0.106 0.000 0.873 333 N CB 0.661 39.215 38.487 0.112 0.000 1.261 333 N HN 0.193 nan 8.380 nan 0.000 0.504 334 L N 0.757 122.044 121.223 0.107 0.000 2.349 334 L HA -0.145 4.195 4.340 0.000 0.000 0.220 334 L C 1.900 178.899 176.870 0.217 0.000 1.130 334 L CA 1.108 55.993 54.840 0.075 0.000 0.791 334 L CB -0.512 41.457 42.059 -0.150 0.000 0.918 334 L HN 0.159 nan 8.230 nan 0.000 0.444 335 D N 0.752 121.237 120.400 0.142 0.000 2.351 335 D HA -0.202 4.438 4.640 0.000 0.000 0.216 335 D C 1.300 177.678 176.300 0.130 0.000 0.968 335 D CA 0.891 54.954 54.000 0.105 0.000 0.899 335 D CB -0.076 40.757 40.800 0.056 0.000 0.907 335 D HN 0.398 nan 8.370 nan 0.000 0.514 336 K N -0.762 119.758 120.400 0.201 0.000 2.372 336 K HA 0.187 4.507 4.320 0.000 0.000 0.200 336 K C 0.140 176.776 176.600 0.060 0.000 1.022 336 K CA -0.265 56.081 56.287 0.098 0.000 1.125 336 K CB 0.456 32.970 32.500 0.023 0.000 0.855 336 K HN 0.085 nan 8.250 nan 0.000 0.524 337 F N -0.009 119.964 119.950 0.039 0.000 2.362 337 F HA 0.496 5.023 4.527 0.000 0.000 0.340 337 F C 0.254 176.099 175.800 0.075 0.000 1.088 337 F CA -0.892 57.147 58.000 0.065 0.000 1.096 337 F CB 1.219 40.255 39.000 0.060 0.000 1.486 337 F HN -0.353 nan 8.300 nan 0.000 0.500 338 V N -0.096 120.004 119.914 0.311 0.000 2.801 338 V HA 0.312 4.432 4.120 0.000 0.000 0.264 338 V C -1.673 174.548 176.094 0.213 0.000 1.843 338 V CA -0.668 61.765 62.300 0.222 0.000 0.878 338 V CB 1.482 33.425 31.823 0.200 0.000 1.380 338 V HN 0.740 nan 8.190 nan 0.000 0.425 339 S N 3.971 119.773 115.700 0.170 0.000 2.564 339 S HA 0.389 4.859 4.470 0.000 0.000 0.141 339 S C -0.647 174.018 174.600 0.108 0.000 1.474 339 S CA 0.063 58.343 58.200 0.133 0.000 1.236 339 S CB 0.159 63.426 63.200 0.113 0.000 1.481 339 S HN 0.956 nan 8.310 nan 0.000 0.397 340 E N 3.040 123.320 120.200 0.134 0.000 2.028 340 E HA 0.305 4.656 4.350 0.000 0.000 0.266 340 E C -2.168 174.478 176.600 0.077 0.000 0.962 340 E CA -1.926 54.542 56.400 0.114 0.000 0.784 340 E CB 1.250 31.043 29.700 0.155 0.000 1.114 340 E HN 0.294 nan 8.360 nan 0.000 0.414 341 P HA -0.220 nan 4.420 nan 0.000 0.217 341 P C 1.272 178.589 177.300 0.029 0.000 1.150 341 P CA 1.326 64.440 63.100 0.023 0.000 0.832 341 P CB 0.337 32.050 31.700 0.021 0.000 0.787 342 A N 0.606 123.450 122.820 0.041 0.000 1.877 342 A HA -0.102 4.219 4.320 0.000 0.000 0.216 342 A C 2.344 179.963 177.584 0.059 0.000 1.186 342 A CA 1.957 54.019 52.037 0.042 0.000 0.620 342 A CB -1.576 17.448 19.000 0.041 0.000 0.822 342 A HN 0.206 nan 8.150 nan 0.000 0.443 343 S N -0.504 115.249 115.700 0.088 0.000 2.660 343 S HA 0.306 4.776 4.470 0.000 0.000 0.228 343 S C 1.124 175.816 174.600 0.152 0.000 0.966 343 S CA 0.599 58.881 58.200 0.137 0.000 0.940 343 S CB -0.796 62.520 63.200 0.193 0.000 0.773 343 S HN 1.600 nan 8.310 nan 0.000 0.535 344 G N 1.129 109.969 108.800 0.067 0.000 2.354 344 G HA2 0.150 4.110 3.960 0.000 0.000 0.278 344 G HA3 0.150 4.110 3.960 0.000 0.000 0.278 344 G C 0.177 174.999 174.900 -0.130 0.000 0.953 344 G CA 0.043 45.145 45.100 0.003 0.000 1.346 344 G HN 0.980 nan 8.290 nan 0.000 0.467 345 G N -1.378 107.272 108.800 -0.250 0.000 2.328 345 G HA2 0.865 4.826 3.960 0.000 0.000 0.299 345 G HA3 0.865 4.826 3.960 0.000 0.000 0.299 345 G C -0.491 174.159 174.900 -0.416 0.000 1.435 345 G CA 0.668 45.338 45.100 -0.717 0.000 0.865 345 G HN 2.510 nan 8.290 nan 0.000 0.601 346 S N -2.186 113.312 115.700 -0.337 0.000 2.615 346 S HA 0.777 5.247 4.470 0.000 0.000 0.268 346 S C -1.805 172.887 174.600 0.154 0.000 1.146 346 S CA -0.501 57.728 58.200 0.049 0.000 0.818 346 S CB 1.914 65.154 63.200 0.067 0.000 1.111 346 S HN 1.760 nan 8.310 nan 0.000 0.465 347 V N 1.875 121.897 119.914 0.180 0.000 2.509 347 V HA 0.507 4.627 4.120 0.000 0.000 0.289 347 V C -0.629 175.491 176.094 0.043 0.000 1.026 347 V CA -0.484 61.880 62.300 0.107 0.000 0.872 347 V CB 1.258 33.115 31.823 0.057 0.000 1.017 347 V HN 0.937 nan 8.190 nan 0.000 0.436 348 K N 3.681 124.133 120.400 0.087 0.000 2.303 348 K HA 0.863 5.184 4.320 0.000 0.000 0.233 348 K C -1.321 175.337 176.600 0.096 0.000 1.046 348 K CA -1.045 55.351 56.287 0.181 0.000 0.895 348 K CB 2.334 34.989 32.500 0.258 0.000 1.220 348 K HN 0.368 nan 8.250 nan 0.000 0.470 349 L N 0.365 121.758 121.223 0.284 0.000 2.401 349 L HA 0.388 4.729 4.340 0.000 0.000 0.266 349 L C -1.504 175.507 176.870 0.236 0.000 0.991 349 L CA -0.089 54.888 54.840 0.229 0.000 0.818 349 L CB 2.171 44.423 42.059 0.323 0.000 1.321 349 L HN 0.583 nan 8.230 nan 0.000 0.413 350 E N 4.468 124.749 120.200 0.134 0.000 2.238 350 E HA 0.603 4.953 4.350 0.000 0.000 0.267 350 E C -1.432 175.164 176.600 -0.006 0.000 0.887 350 E CA -0.614 55.791 56.400 0.008 0.000 0.769 350 E CB 2.481 32.147 29.700 -0.056 0.000 1.187 350 E HN 0.472 nan 8.360 nan 0.000 0.416 351 I N 2.562 123.087 120.570 -0.075 0.000 2.447 351 I HA 0.296 4.466 4.170 0.000 0.000 0.287 351 I C -0.451 175.566 176.117 -0.167 0.000 1.023 351 I CA -0.572 60.688 61.300 -0.068 0.000 1.083 351 I CB 1.624 39.626 38.000 0.004 0.000 1.245 351 I HN 0.523 nan 8.210 nan 0.000 0.434 352 E N 4.546 124.638 120.200 -0.181 0.000 2.429 352 E HA 0.812 5.162 4.350 0.000 0.000 0.276 352 E C 0.157 176.500 176.600 -0.428 0.000 0.953 352 E CA -0.819 55.433 56.400 -0.247 0.000 0.787 352 E CB 2.021 31.653 29.700 -0.113 0.000 1.307 352 E HN 0.748 nan 8.360 nan 0.000 0.458 353 G N 0.952 109.207 108.800 -0.909 0.000 2.552 353 G HA2 -0.009 3.951 3.960 0.000 0.000 0.265 353 G HA3 -0.009 3.951 3.960 0.000 0.000 0.265 353 G C -0.011 174.525 174.900 -0.606 0.000 1.234 353 G CA 1.048 45.233 45.100 -1.526 0.000 0.944 353 G HN 1.295 nan 8.290 nan 0.000 0.568 354 M N -3.051 116.357 119.600 -0.319 0.000 3.493 354 M HA 0.624 5.104 4.480 0.000 0.000 0.300 354 M C -3.442 172.888 176.300 0.050 0.000 1.288 354 M CA -1.688 53.541 55.300 -0.118 0.000 0.867 354 M CB -0.072 32.466 32.600 -0.103 0.000 1.735 354 M HN 0.428 nan 8.290 nan 0.000 0.518 355 P HA 0.649 nan 4.420 nan 0.000 0.277 355 P C -1.354 176.032 177.300 0.144 0.000 1.240 355 P CA 0.171 63.237 63.100 -0.057 0.000 0.798 355 P CB 0.278 31.933 31.700 -0.076 0.000 0.979 356 F N -1.847 118.125 119.950 0.036 0.000 2.678 356 F HA 0.730 5.257 4.527 0.000 0.000 0.308 356 F C -0.009 175.831 175.800 0.067 0.000 1.118 356 F CA -1.223 56.812 58.000 0.058 0.000 0.959 356 F CB 0.507 39.569 39.000 0.103 0.000 1.305 356 F HN 0.371 nan 8.300 nan 0.000 0.443 357 G N 0.243 109.184 108.800 0.236 0.000 2.557 357 G HA2 0.354 4.314 3.960 0.000 0.000 0.292 357 G HA3 0.354 4.314 3.960 0.000 0.000 0.292 357 G C -1.152 173.704 174.900 -0.072 0.000 1.237 357 G CA -0.699 44.435 45.100 0.057 0.000 0.978 357 G HN 0.806 nan 8.290 nan 0.000 0.498 358 N N 0.277 118.816 118.700 -0.268 0.000 2.757 358 N HA 0.251 4.991 4.740 0.000 0.000 0.296 358 N C -1.223 174.185 175.510 -0.170 0.000 1.874 358 N CA -1.697 51.035 53.050 -0.531 0.000 0.885 358 N CB 1.368 39.423 38.487 -0.720 0.000 1.242 358 N HN 0.150 nan 8.380 nan 0.000 0.488 359 P HA -0.145 nan 4.420 nan 0.000 0.216 359 P C 0.365 177.683 177.300 0.031 0.000 1.150 359 P CA 1.189 64.289 63.100 0.000 0.000 0.837 359 P CB 0.461 32.177 31.700 0.025 0.000 0.786 360 K N -0.650 119.779 120.400 0.047 0.000 2.458 360 K HA 0.095 4.415 4.320 0.000 0.000 0.194 360 K C 0.296 176.968 176.600 0.121 0.000 1.024 360 K CA -0.280 56.063 56.287 0.094 0.000 1.108 360 K CB -0.023 32.547 32.500 0.117 0.000 0.846 360 K HN -0.142 nan 8.250 nan 0.000 0.518 361 R N 1.150 121.702 120.500 0.087 0.000 3.405 361 R HA -0.126 4.215 4.340 0.000 0.000 0.258 361 R C -0.076 176.402 176.300 0.297 0.000 1.030 361 R CA 1.271 57.462 56.100 0.152 0.000 0.691 361 R CB -3.084 27.307 30.300 0.151 0.000 1.093 361 R HN 0.538 nan 8.270 nan 0.000 0.448 362 T N -2.338 112.338 114.554 0.204 0.000 2.813 362 T HA 0.346 4.696 4.350 0.000 0.000 0.297 362 T C -0.670 174.112 174.700 0.136 0.000 1.036 362 T CA -1.111 61.060 62.100 0.118 0.000 1.044 362 T CB 1.562 70.470 68.868 0.066 0.000 0.993 362 T HN -0.016 nan 8.240 nan 0.000 0.535 363 P HA 0.134 nan 4.420 nan 0.000 0.229 363 P C 0.518 177.943 177.300 0.209 0.000 1.160 363 P CA 0.229 63.311 63.100 -0.029 0.000 0.777 363 P CB -0.270 31.077 31.700 -0.589 0.000 0.814 364 A N 1.251 124.152 122.820 0.135 0.000 2.477 364 A HA 0.148 4.468 4.320 0.000 0.000 0.246 364 A C 0.552 178.188 177.584 0.088 0.000 1.078 364 A CA -0.303 51.785 52.037 0.084 0.000 0.770 364 A CB -0.377 18.607 19.000 -0.028 0.000 1.011 364 A HN 0.109 nan 8.150 nan 0.000 0.494 365 R N 1.362 121.840 120.500 -0.036 0.000 2.594 365 R HA 0.290 4.630 4.340 0.000 0.000 0.272 365 R C -1.023 175.209 176.300 -0.114 0.000 1.074 365 R CA 0.074 56.175 56.100 0.002 0.000 1.105 365 R CB 0.181 30.427 30.300 -0.089 0.000 1.008 365 R HN 0.860 nan 8.270 nan 0.000 0.472 366 H N 2.164 121.176 119.070 -0.096 0.000 2.495 366 H HA 0.345 4.901 4.556 0.000 0.000 0.348 366 H C -0.330 174.608 175.328 -0.650 0.000 1.113 366 H CA -0.720 55.139 56.048 -0.315 0.000 1.195 366 H CB 1.329 30.998 29.762 -0.155 0.000 1.521 366 H HN 0.490 nan 8.280 nan 0.000 0.509 367 R N 1.340 121.186 120.500 -1.090 0.000 2.756 367 R HA 0.004 4.344 4.340 0.000 0.000 0.264 367 R C -0.247 175.746 176.300 -0.513 0.000 1.026 367 R CA 0.350 56.054 56.100 -0.660 0.000 1.121 367 R CB 0.386 30.400 30.300 -0.476 0.000 0.999 367 R HN 0.737 nan 8.270 nan 0.000 0.449 368 D N -0.247 119.987 120.400 -0.276 0.000 2.500 368 D HA 0.273 4.913 4.640 0.000 0.000 0.217 368 D C -0.412 175.795 176.300 -0.154 0.000 1.159 368 D CA 0.177 54.064 54.000 -0.188 0.000 0.828 368 D CB 1.166 41.886 40.800 -0.133 0.000 1.039 368 D HN 0.561 nan 8.370 nan 0.000 0.512 369 A N -0.091 122.628 122.820 -0.169 0.000 2.566 369 A HA 0.511 4.831 4.320 0.000 0.000 0.290 369 A C -0.723 176.756 177.584 -0.174 0.000 1.071 369 A CA -0.721 51.219 52.037 -0.161 0.000 0.658 369 A CB 0.719 19.623 19.000 -0.159 0.000 1.285 369 A HN -0.035 nan 8.150 nan 0.000 0.427 370 M N 0.843 120.320 119.600 -0.204 0.000 2.240 370 M HA 0.320 4.800 4.480 0.000 0.000 0.317 370 M C 1.022 177.203 176.300 -0.199 0.000 1.087 370 M CA 0.889 56.056 55.300 -0.222 0.000 1.176 370 M CB 0.307 32.745 32.600 -0.270 0.000 1.439 370 M HN 0.906 nan 8.290 nan 0.000 0.452 371 G N 0.831 109.537 108.800 -0.158 0.000 2.377 371 G HA2 0.540 4.500 3.960 0.000 0.000 0.299 371 G HA3 0.540 4.500 3.960 0.000 0.000 0.299 371 G C -1.088 173.753 174.900 -0.098 0.000 1.150 371 G CA -0.544 44.496 45.100 -0.100 0.000 0.847 371 G HN 0.542 nan 8.290 nan 0.000 0.501 372 V N 3.209 123.093 119.914 -0.050 0.000 2.350 372 V HA 0.399 4.519 4.120 0.000 0.000 0.285 372 V C -0.559 175.574 176.094 0.064 0.000 1.014 372 V CA -0.711 61.612 62.300 0.039 0.000 0.831 372 V CB 1.130 33.020 31.823 0.111 0.000 1.000 372 V HN 0.659 nan 8.190 nan 0.000 0.433 373 L N 5.221 126.483 121.223 0.064 0.000 2.325 373 L HA 0.917 5.257 4.340 0.000 0.000 0.281 373 L C 0.189 177.113 176.870 0.089 0.000 1.004 373 L CA -0.407 54.471 54.840 0.063 0.000 0.823 373 L CB 1.488 43.542 42.059 -0.009 0.000 1.236 373 L HN 0.671 nan 8.230 nan 0.000 0.415 374 A N 5.581 128.466 122.820 0.109 0.000 2.269 374 A HA 0.666 4.986 4.320 0.000 0.000 0.302 374 A C -0.666 177.017 177.584 0.165 0.000 1.266 374 A CA -0.381 51.710 52.037 0.089 0.000 0.894 374 A CB -0.091 18.946 19.000 0.063 0.000 1.147 374 A HN 0.666 nan 8.150 nan 0.000 0.537 375 L N 1.302 122.626 121.223 0.169 0.000 2.397 375 L HA 0.859 5.199 4.340 0.000 0.000 0.266 375 L C 0.602 177.638 176.870 0.276 0.000 1.040 375 L CA 0.152 55.172 54.840 0.300 0.000 0.800 375 L CB 1.220 43.449 42.059 0.283 0.000 1.324 375 L HN 0.885 nan 8.230 nan 0.000 0.469 376 A N 0.465 123.503 122.820 0.364 0.000 2.480 376 A HA 0.338 4.658 4.320 0.000 0.000 0.302 376 A C -0.774 177.075 177.584 0.441 0.000 1.151 376 A CA -0.549 51.717 52.037 0.380 0.000 0.907 376 A CB 0.084 19.331 19.000 0.411 0.000 1.487 376 A HN 0.588 nan 8.150 nan 0.000 0.396 377 E N 1.458 121.810 120.200 0.253 0.000 2.301 377 E HA 0.653 5.003 4.350 0.000 0.000 0.275 377 E C -0.709 175.933 176.600 0.069 0.000 1.030 377 E CA -0.302 56.149 56.400 0.086 0.000 0.852 377 E CB 1.124 30.852 29.700 0.046 0.000 1.060 377 E HN 1.046 nan 8.360 nan 0.000 0.401 378 W N 1.793 122.945 121.300 -0.245 0.000 3.370 378 W HA 0.226 4.887 4.660 0.000 0.000 0.304 378 W C -2.036 174.366 176.519 -0.194 0.000 1.161 378 W CA -0.789 56.358 57.345 -0.331 0.000 1.132 378 W CB 0.144 29.375 29.460 -0.382 0.000 1.377 378 W HN 0.249 nan 8.180 nan 0.000 0.568 379 S N 1.547 117.274 115.700 0.045 0.000 2.411 379 S HA 0.423 4.893 4.470 0.000 0.000 0.294 379 S C 1.069 175.819 174.600 0.250 0.000 1.115 379 S CA 0.272 58.464 58.200 -0.014 0.000 1.071 379 S CB 0.420 63.623 63.200 0.005 0.000 0.967 379 S HN 1.285 nan 8.310 nan 0.000 0.488 380 G N 3.563 112.423 108.800 0.099 0.000 2.708 380 G HA2 0.105 4.066 3.960 0.000 0.000 0.210 380 G HA3 0.105 4.066 3.960 0.000 0.000 0.210 380 G C 1.211 176.209 174.900 0.164 0.000 1.141 380 G CA 0.547 45.843 45.100 0.327 0.000 0.788 380 G HN 0.820 nan 8.290 nan 0.000 0.531 381 A N 0.897 123.771 122.820 0.090 0.000 1.861 381 A HA 0.635 4.955 4.320 0.000 0.000 0.212 381 A C 1.952 179.580 177.584 0.074 0.000 1.199 381 A CA 1.052 53.121 52.037 0.054 0.000 0.613 381 A CB -0.780 18.231 19.000 0.018 0.000 0.846 381 A HN 0.866 nan 8.150 nan 0.000 0.446 382 A N 0.403 123.281 122.820 0.097 0.000 2.567 382 A HA 0.397 4.717 4.320 0.000 0.000 0.236 382 A C -2.247 175.390 177.584 0.088 0.000 1.088 382 A CA -0.297 51.798 52.037 0.097 0.000 0.776 382 A CB -0.784 18.296 19.000 0.133 0.000 1.033 382 A HN 0.333 nan 8.150 nan 0.000 0.513 383 P HA 0.405 nan 4.420 nan 0.000 0.279 383 P C 0.904 178.211 177.300 0.011 0.000 1.252 383 P CA 0.976 64.093 63.100 0.029 0.000 0.811 383 P CB 0.764 32.473 31.700 0.015 0.000 1.035 384 G N 1.314 110.096 108.800 -0.030 0.000 2.225 384 G HA2 -0.359 3.601 3.960 0.000 0.000 0.272 384 G HA3 -0.359 3.601 3.960 0.000 0.000 0.272 384 G C 1.250 176.063 174.900 -0.145 0.000 0.996 384 G CA 1.036 46.080 45.100 -0.093 0.000 0.710 384 G HN 0.604 nan 8.290 nan 0.000 0.522 385 S N 0.693 116.369 115.700 -0.040 0.000 2.420 385 S HA -0.195 4.275 4.470 0.000 0.000 0.237 385 S C 1.870 176.256 174.600 -0.356 0.000 1.023 385 S CA 1.721 59.922 58.200 0.001 0.000 0.991 385 S CB -0.234 63.094 63.200 0.214 0.000 0.792 385 S HN 0.889 nan 8.310 nan 0.000 0.488 386 E N 2.965 122.984 120.200 -0.302 0.000 2.533 386 E HA -0.144 4.206 4.350 0.000 0.000 0.201 386 E C 1.536 177.894 176.600 -0.403 0.000 1.097 386 E CA 0.866 57.037 56.400 -0.382 0.000 0.887 386 E CB -0.439 29.141 29.700 -0.200 0.000 0.855 386 E HN 0.932 nan 8.360 nan 0.000 0.540 387 K N 0.199 120.318 120.400 -0.468 0.000 2.076 387 K HA -0.139 4.182 4.320 0.000 0.000 0.204 387 K C 1.502 177.785 176.600 -0.529 0.000 1.051 387 K CA 0.874 56.864 56.287 -0.494 0.000 0.949 387 K CB -0.585 31.549 32.500 -0.611 0.000 0.726 387 K HN -0.001 nan 8.250 nan 0.000 0.443 388 Y N 2.409 122.476 120.300 -0.388 0.000 2.089 388 Y HA -0.106 4.444 4.550 0.000 0.000 0.282 388 Y C -0.458 175.226 175.900 -0.359 0.000 1.139 388 Y CA 1.186 59.082 58.100 -0.341 0.000 1.123 388 Y CB -1.828 36.432 38.460 -0.334 0.000 0.980 388 Y HN 0.165 nan 8.280 nan 0.000 0.493 389 P HA -0.174 nan 4.420 nan 0.000 0.215 389 P C 1.253 178.459 177.300 -0.156 0.000 1.153 389 P CA 1.702 64.631 63.100 -0.286 0.000 0.853 389 P CB 0.111 31.545 31.700 -0.443 0.000 0.788 390 E N -0.260 119.817 120.200 -0.205 0.000 2.070 390 E HA -0.183 4.168 4.350 0.000 0.000 0.197 390 E C 2.093 178.630 176.600 -0.105 0.000 1.004 390 E CA 0.884 57.200 56.400 -0.139 0.000 0.805 390 E CB -1.031 28.572 29.700 -0.161 0.000 0.744 390 E HN 0.161 nan 8.360 nan 0.000 0.451 391 L N 0.613 121.763 121.223 -0.122 0.000 2.056 391 L HA -0.086 4.254 4.340 0.000 0.000 0.207 391 L C 2.213 179.041 176.870 -0.070 0.000 1.078 391 L CA 2.077 56.864 54.840 -0.089 0.000 0.749 391 L CB -0.850 41.156 42.059 -0.089 0.000 0.901 391 L HN 0.054 nan 8.230 nan 0.000 0.433 392 A N -0.385 122.407 122.820 -0.047 0.000 1.883 392 A HA -0.238 4.082 4.320 0.000 0.000 0.217 392 A C 2.390 179.965 177.584 -0.015 0.000 1.186 392 A CA 1.871 53.891 52.037 -0.028 0.000 0.624 392 A CB -0.584 18.448 19.000 0.052 0.000 0.822 392 A HN 0.491 nan 8.150 nan 0.000 0.444 393 R N -0.393 120.105 120.500 -0.003 0.000 2.105 393 R HA -0.163 4.177 4.340 0.000 0.000 0.239 393 R C 2.128 178.425 176.300 -0.005 0.000 1.135 393 R CA 1.573 57.680 56.100 0.011 0.000 0.967 393 R CB -0.361 29.942 30.300 0.006 0.000 0.861 393 R HN 0.696 nan 8.270 nan 0.000 0.442 394 E N 0.553 120.737 120.200 -0.027 0.000 2.051 394 E HA -0.210 4.140 4.350 0.000 0.000 0.192 394 E C 1.964 178.549 176.600 -0.025 0.000 0.991 394 E CA 1.015 57.399 56.400 -0.026 0.000 0.799 394 E CB -0.131 29.548 29.700 -0.035 0.000 0.748 394 E HN 0.083 nan 8.360 nan 0.000 0.449 395 L N 1.907 123.101 121.223 -0.049 0.000 1.989 395 L HA -0.236 4.104 4.340 0.000 0.000 0.211 395 L C 1.923 178.776 176.870 -0.028 0.000 1.071 395 L CA 2.277 57.077 54.840 -0.067 0.000 0.749 395 L CB -0.758 41.196 42.059 -0.175 0.000 0.890 395 L HN 0.053 nan 8.230 nan 0.000 0.431 396 D N -0.554 119.841 120.400 -0.008 0.000 2.108 396 D HA -0.231 4.409 4.640 0.000 0.000 0.190 396 D C 2.121 178.427 176.300 0.011 0.000 0.995 396 D CA 2.011 56.023 54.000 0.020 0.000 0.834 396 D CB -0.321 40.510 40.800 0.051 0.000 0.967 396 D HN 0.445 nan 8.370 nan 0.000 0.446 397 A N 0.614 123.439 122.820 0.010 0.000 1.927 397 A HA -0.140 4.180 4.320 0.000 0.000 0.220 397 A C 2.426 180.009 177.584 -0.002 0.000 1.185 397 A CA 3.128 55.167 52.037 0.004 0.000 0.639 397 A CB -1.387 17.616 19.000 0.004 0.000 0.820 397 A HN 0.415 nan 8.150 nan 0.000 0.451 398 A N -0.198 122.620 122.820 -0.003 0.000 1.859 398 A HA -0.145 4.175 4.320 0.000 0.000 0.217 398 A C 2.187 179.769 177.584 -0.003 0.000 1.198 398 A CA 1.768 53.803 52.037 -0.003 0.000 0.629 398 A CB -0.819 18.180 19.000 -0.002 0.000 0.830 398 A HN 0.531 nan 8.150 nan 0.000 0.446 399 L N -1.187 120.036 121.223 -0.000 0.000 2.083 399 L HA -0.156 4.184 4.340 0.000 0.000 0.209 399 L C 2.552 179.432 176.870 0.017 0.000 1.083 399 L CA 1.005 55.848 54.840 0.006 0.000 0.752 399 L CB -0.602 41.474 42.059 0.028 0.000 0.899 399 L HN 0.445 nan 8.230 nan 0.000 0.433 400 L N 0.917 122.143 121.223 0.006 0.000 2.056 400 L HA -0.183 4.157 4.340 0.000 0.000 0.207 400 L C 2.797 179.660 176.870 -0.011 0.000 1.078 400 L CA 1.744 56.578 54.840 -0.011 0.000 0.749 400 L CB -0.521 41.520 42.059 -0.031 0.000 0.901 400 L HN 0.273 nan 8.230 nan 0.000 0.433 401 R N -0.540 119.956 120.500 -0.008 0.000 2.193 401 R HA 0.124 4.464 4.340 0.000 0.000 0.213 401 R C 1.712 178.009 176.300 -0.005 0.000 1.055 401 R CA 0.980 57.075 56.100 -0.007 0.000 0.995 401 R CB -0.631 29.665 30.300 -0.006 0.000 0.893 401 R HN 0.273 nan 8.270 nan 0.000 0.459 402 A N 0.807 123.626 122.820 -0.002 0.000 2.235 402 A HA 0.271 4.591 4.320 0.000 0.000 0.208 402 A C 1.653 179.241 177.584 0.007 0.000 1.172 402 A CA 0.449 52.486 52.037 -0.001 0.000 0.786 402 A CB -0.522 18.473 19.000 -0.007 0.000 0.804 402 A HN 0.630 nan 8.150 nan 0.000 0.479 403 G N -1.205 107.599 108.800 0.007 0.000 2.175 403 G HA2 -0.323 3.637 3.960 0.000 0.000 0.265 403 G HA3 -0.323 3.637 3.960 0.000 0.000 0.265 403 G C 1.081 175.999 174.900 0.031 0.000 0.979 403 G CA 1.182 46.288 45.100 0.009 0.000 0.663 403 G HN 1.541 nan 8.290 nan 0.000 0.533 404 V N -1.937 118.016 119.914 0.065 0.000 3.354 404 V HA 0.421 4.541 4.120 0.000 0.000 0.258 404 V C 1.178 177.375 176.094 0.171 0.000 1.159 404 V CA 1.523 63.911 62.300 0.147 0.000 1.125 404 V CB -0.204 31.756 31.823 0.228 0.000 0.774 404 V HN 1.129 nan 8.190 nan 0.000 0.464 405 T N -0.178 114.436 114.554 0.100 0.000 2.918 405 T HA 0.563 4.913 4.350 0.000 0.000 0.286 405 T C 0.167 174.847 174.700 -0.034 0.000 1.026 405 T CA 0.260 62.389 62.100 0.048 0.000 1.031 405 T CB 1.377 70.281 68.868 0.060 0.000 1.046 405 T HN 0.590 nan 8.240 nan 0.000 0.479 406 T N 0.162 114.669 114.554 -0.079 0.000 2.926 406 T HA 0.218 4.568 4.350 0.000 0.000 0.307 406 T C 1.664 176.262 174.700 -0.169 0.000 1.059 406 T CA -0.152 61.882 62.100 -0.110 0.000 1.122 406 T CB 0.649 69.447 68.868 -0.118 0.000 0.972 406 T HN 0.861 nan 8.240 nan 0.000 0.545 407 S N 2.070 117.681 115.700 -0.150 0.000 2.382 407 S HA 0.109 4.579 4.470 0.000 0.000 0.228 407 S C 1.336 175.748 174.600 -0.314 0.000 1.027 407 S CA 0.174 58.262 58.200 -0.185 0.000 0.991 407 S CB -0.963 62.173 63.200 -0.106 0.000 0.823 407 S HN 1.170 nan 8.310 nan 0.000 0.469 408 G N 0.370 109.025 108.800 -0.241 0.000 2.537 408 G HA2 0.518 4.478 3.960 0.000 0.000 0.273 408 G HA3 0.518 4.478 3.960 0.000 0.000 0.273 408 G C -0.594 174.090 174.900 -0.360 0.000 1.189 408 G CA -0.874 44.087 45.100 -0.231 0.000 0.881 408 G HN 0.266 nan 8.290 nan 0.000 0.535 409 F N -0.246 119.684 119.950 -0.034 0.000 2.370 409 F HA 0.474 5.001 4.527 0.000 0.000 0.319 409 F C 1.584 177.345 175.800 -0.064 0.000 1.129 409 F CA 0.437 58.412 58.000 -0.041 0.000 1.109 409 F CB 1.375 40.348 39.000 -0.045 0.000 1.262 409 F HN 0.554 nan 8.300 nan 0.000 0.534 410 G N 0.979 109.851 108.800 0.119 0.000 2.648 410 G HA2 0.221 4.181 3.960 0.000 0.000 0.217 410 G HA3 0.221 4.181 3.960 0.000 0.000 0.217 410 G C -0.187 174.705 174.900 -0.013 0.000 1.386 410 G CA -0.110 45.002 45.100 0.020 0.000 0.920 410 G HN 0.364 nan 8.290 nan 0.000 0.540 411 L N 0.870 122.083 121.223 -0.016 0.000 2.346 411 L HA 0.399 4.739 4.340 0.000 0.000 0.276 411 L C 1.166 177.966 176.870 -0.117 0.000 1.006 411 L CA -0.680 54.114 54.840 -0.076 0.000 0.817 411 L CB 2.457 44.493 42.059 -0.038 0.000 1.272 411 L HN 0.189 nan 8.230 nan 0.000 0.421 412 L N 1.563 122.622 121.223 -0.273 0.000 2.046 412 L HA -0.177 4.163 4.340 0.000 0.000 0.208 412 L C 1.766 178.491 176.870 -0.241 0.000 1.077 412 L CA 1.155 55.704 54.840 -0.486 0.000 0.747 412 L CB -0.346 41.015 42.059 -1.163 0.000 0.896 412 L HN 0.729 nan 8.230 nan 0.000 0.432 413 N N 0.421 119.099 118.700 -0.036 0.000 2.430 413 N HA -0.158 4.582 4.740 0.000 0.000 0.186 413 N C 0.977 176.581 175.510 0.156 0.000 1.032 413 N CA 0.971 54.119 53.050 0.165 0.000 0.893 413 N CB -0.362 38.180 38.487 0.091 0.000 0.957 413 N HN 0.333 nan 8.380 nan 0.000 0.442 414 N N -0.174 118.569 118.700 0.073 0.000 2.235 414 N HA 0.117 4.857 4.740 0.000 0.000 0.209 414 N C -0.940 174.708 175.510 0.230 0.000 1.122 414 N CA -0.010 53.076 53.050 0.061 0.000 0.845 414 N CB 0.301 38.774 38.487 -0.024 0.000 1.004 414 N HN 0.082 nan 8.380 nan 0.000 0.499 415 N N -0.545 118.311 118.700 0.259 0.000 2.399 415 N HA 0.082 4.822 4.740 0.000 0.000 0.284 415 N C 0.165 175.805 175.510 0.216 0.000 1.025 415 N CA 0.006 53.190 53.050 0.223 0.000 0.885 415 N CB 1.806 40.295 38.487 0.003 0.000 1.339 415 N HN 0.068 nan 8.380 nan 0.000 0.487 416 S N 0.943 116.764 115.700 0.202 0.000 2.527 416 S HA 0.075 4.545 4.470 0.000 0.000 0.222 416 S C 0.423 175.020 174.600 -0.005 0.000 0.985 416 S CA 0.543 58.745 58.200 0.003 0.000 0.921 416 S CB 0.085 63.180 63.200 -0.175 0.000 0.772 416 S HN 0.539 nan 8.310 nan 0.000 0.529 417 E N 1.450 121.657 120.200 0.011 0.000 3.303 417 E HA 0.353 4.703 4.350 0.000 0.000 0.215 417 E C -1.528 175.035 176.600 -0.060 0.000 1.181 417 E CA -0.330 56.066 56.400 -0.007 0.000 0.998 417 E CB 1.586 31.296 29.700 0.017 0.000 1.312 417 E HN 0.182 nan 8.360 nan 0.000 0.412 418 V N 2.436 122.333 119.914 -0.029 0.000 2.470 418 V HA 0.147 4.267 4.120 0.000 0.000 0.276 418 V C 0.760 176.858 176.094 0.007 0.000 1.040 418 V CA -0.096 62.175 62.300 -0.048 0.000 1.008 418 V CB 0.599 32.464 31.823 0.071 0.000 0.990 418 V HN 0.532 nan 8.190 nan 0.000 0.477 419 T N 2.167 116.683 114.554 -0.063 0.000 2.948 419 T HA 0.675 5.025 4.350 0.000 0.000 0.285 419 T C 1.194 175.898 174.700 0.008 0.000 1.019 419 T CA -0.086 62.008 62.100 -0.011 0.000 1.013 419 T CB 1.981 70.829 68.868 -0.034 0.000 1.117 419 T HN 0.603 nan 8.240 nan 0.000 0.533 420 A N 0.212 123.054 122.820 0.036 0.000 1.902 420 A HA -0.082 4.238 4.320 0.000 0.000 0.217 420 A C 2.223 179.811 177.584 0.006 0.000 1.181 420 A CA 1.875 53.942 52.037 0.049 0.000 0.623 420 A CB -1.204 17.825 19.000 0.048 0.000 0.818 420 A HN 1.035 nan 8.150 nan 0.000 0.443 421 E N -0.592 119.604 120.200 -0.007 0.000 2.097 421 E HA -0.285 4.065 4.350 0.000 0.000 0.196 421 E C 2.012 178.610 176.600 -0.005 0.000 1.000 421 E CA 1.759 58.154 56.400 -0.008 0.000 0.804 421 E CB -0.242 29.469 29.700 0.020 0.000 0.740 421 E HN 0.685 nan 8.360 nan 0.000 0.454 422 M N 0.302 119.870 119.600 -0.054 0.000 2.086 422 M HA -0.173 4.307 4.480 0.000 0.000 0.261 422 M C 2.225 178.495 176.300 -0.051 0.000 1.067 422 M CA 1.458 56.682 55.300 -0.126 0.000 1.116 422 M CB -0.017 32.332 32.600 -0.418 0.000 1.348 422 M HN 0.061 nan 8.290 nan 0.000 0.407 423 V N 1.078 120.991 119.914 -0.002 0.000 2.252 423 V HA -0.306 3.814 4.120 0.000 0.000 0.249 423 V C 2.709 178.952 176.094 0.248 0.000 1.056 423 V CA 2.157 64.545 62.300 0.146 0.000 1.022 423 V CB -1.732 30.260 31.823 0.282 0.000 0.641 423 V HN 0.675 nan 8.190 nan 0.000 0.445 424 A N -0.670 122.189 122.820 0.066 0.000 1.902 424 A HA -0.266 4.054 4.320 0.000 0.000 0.217 424 A C 2.341 179.947 177.584 0.037 0.000 1.181 424 A CA 1.944 53.913 52.037 -0.112 0.000 0.623 424 A CB -0.543 18.202 19.000 -0.425 0.000 0.818 424 A HN 0.617 nan 8.150 nan 0.000 0.443 425 E N 0.059 120.281 120.200 0.038 0.000 2.038 425 E HA -0.155 4.195 4.350 0.000 0.000 0.195 425 E C 1.999 178.649 176.600 0.083 0.000 1.000 425 E CA 1.866 58.308 56.400 0.068 0.000 0.803 425 E CB -0.160 29.606 29.700 0.111 0.000 0.750 425 E HN 0.349 nan 8.360 nan 0.000 0.448 426 V N 0.321 120.270 119.914 0.059 0.000 2.307 426 V HA -0.247 3.874 4.120 0.000 0.000 0.245 426 V C 2.203 178.294 176.094 -0.005 0.000 1.045 426 V CA 1.872 64.162 62.300 -0.018 0.000 1.024 426 V CB -0.848 30.883 31.823 -0.154 0.000 0.651 426 V HN 0.302 nan 8.190 nan 0.000 0.449 427 Y N 0.213 120.576 120.300 0.105 0.000 2.293 427 Y HA 0.058 4.608 4.550 0.000 0.000 0.291 427 Y C 1.164 177.159 175.900 0.159 0.000 1.137 427 Y CA 0.527 58.714 58.100 0.145 0.000 1.202 427 Y CB -0.186 38.408 38.460 0.224 0.000 0.990 427 Y HN 0.269 nan 8.280 nan 0.000 0.537 428 K N -2.486 118.091 120.400 0.295 0.000 5.560 428 K HA -0.153 4.167 4.320 0.000 0.000 0.669 428 K C -2.504 174.236 176.600 0.234 0.000 2.466 428 K CA 0.022 56.432 56.287 0.206 0.000 1.913 428 K CB -0.926 31.677 32.500 0.170 0.000 2.891 428 K HN -0.093 nan 8.250 nan 0.000 0.152 429 P HA -0.311 nan 4.420 nan 0.000 0.219 429 P C 0.768 178.183 177.300 0.191 0.000 1.159 429 P CA 2.003 65.192 63.100 0.149 0.000 0.944 429 P CB 0.169 31.922 31.700 0.088 0.000 0.792 430 E N -0.799 119.492 120.200 0.153 0.000 2.021 430 E HA -0.165 4.185 4.350 0.000 0.000 0.200 430 E C 2.062 178.776 176.600 0.189 0.000 1.015 430 E CA 1.375 57.857 56.400 0.136 0.000 0.824 430 E CB -1.581 28.181 29.700 0.103 0.000 0.762 430 E HN -0.013 nan 8.360 nan 0.000 0.454 431 V N 0.382 120.448 119.914 0.254 0.000 2.278 431 V HA -0.329 3.792 4.120 0.000 0.000 0.251 431 V C 2.097 178.384 176.094 0.323 0.000 1.062 431 V CA 2.244 64.765 62.300 0.368 0.000 1.038 431 V CB -0.721 31.343 31.823 0.401 0.000 0.646 431 V HN 0.303 nan 8.190 nan 0.000 0.447 432 Y N 1.325 121.727 120.300 0.170 0.000 2.081 432 Y HA -0.297 4.253 4.550 0.000 0.000 0.280 432 Y C 2.838 178.800 175.900 0.104 0.000 1.163 432 Y CA 2.189 60.349 58.100 0.101 0.000 1.135 432 Y CB -0.350 38.176 38.460 0.110 0.000 0.970 432 Y HN 0.198 nan 8.280 nan 0.000 0.498 433 S N -0.179 115.681 115.700 0.266 0.000 2.399 433 S HA -0.194 4.276 4.470 0.000 0.000 0.231 433 S C 2.020 176.670 174.600 0.084 0.000 1.022 433 S CA 1.324 59.623 58.200 0.165 0.000 0.983 433 S CB -0.335 62.959 63.200 0.157 0.000 0.803 433 S HN 0.433 nan 8.310 nan 0.000 0.480 434 R N 0.823 121.385 120.500 0.104 0.000 2.073 434 R HA 0.080 4.420 4.340 0.000 0.000 0.229 434 R C 2.101 178.504 176.300 0.172 0.000 1.120 434 R CA 0.932 57.074 56.100 0.069 0.000 0.967 434 R CB -0.287 29.982 30.300 -0.052 0.000 0.862 434 R HN 0.341 nan 8.270 nan 0.000 0.436 435 L N 0.321 121.680 121.223 0.226 0.000 2.131 435 L HA -0.114 4.226 4.340 0.000 0.000 0.210 435 L C 2.629 179.526 176.870 0.045 0.000 1.092 435 L CA 1.160 56.082 54.840 0.136 0.000 0.759 435 L CB -0.502 41.492 42.059 -0.109 0.000 0.903 435 L HN 0.324 nan 8.230 nan 0.000 0.435 436 A N 0.021 122.792 122.820 -0.082 0.000 1.972 436 A HA -0.156 4.164 4.320 0.000 0.000 0.219 436 A C 2.521 180.132 177.584 0.045 0.000 1.169 436 A CA 1.679 53.679 52.037 -0.061 0.000 0.635 436 A CB -0.531 18.435 19.000 -0.057 0.000 0.810 436 A HN 0.410 nan 8.150 nan 0.000 0.446 437 A N -0.584 122.267 122.820 0.052 0.000 1.898 437 A HA 0.048 4.369 4.320 0.000 0.000 0.216 437 A C 2.195 179.823 177.584 0.073 0.000 1.181 437 A CA 1.622 53.690 52.037 0.051 0.000 0.620 437 A CB -0.871 18.147 19.000 0.029 0.000 0.819 437 A HN 0.374 nan 8.150 nan 0.000 0.442 438 V N 0.340 120.302 119.914 0.079 0.000 2.343 438 V HA -0.251 3.869 4.120 0.000 0.000 0.247 438 V C 2.555 178.775 176.094 0.211 0.000 1.051 438 V CA 2.440 64.770 62.300 0.049 0.000 1.036 438 V CB -0.666 30.987 31.823 -0.284 0.000 0.654 438 V HN 0.620 nan 8.190 nan 0.000 0.451 439 K N 0.735 121.344 120.400 0.349 0.000 2.032 439 K HA -0.159 4.161 4.320 0.000 0.000 0.209 439 K C 2.258 179.004 176.600 0.243 0.000 1.048 439 K CA 1.617 58.171 56.287 0.446 0.000 0.927 439 K CB -0.366 32.285 32.500 0.252 0.000 0.712 439 K HN 0.293 nan 8.250 nan 0.000 0.441 440 R N 0.003 120.586 120.500 0.137 0.000 2.159 440 R HA -0.145 4.195 4.340 0.000 0.000 0.237 440 R C 2.225 178.551 176.300 0.043 0.000 1.131 440 R CA 1.669 57.815 56.100 0.076 0.000 0.982 440 R CB -0.117 30.210 30.300 0.044 0.000 0.868 440 R HN 0.481 nan 8.270 nan 0.000 0.453 441 E N -0.640 119.579 120.200 0.032 0.000 2.122 441 E HA -0.119 4.231 4.350 0.000 0.000 0.190 441 E C 0.837 177.280 176.600 -0.262 0.000 0.977 441 E CA 0.794 57.105 56.400 -0.148 0.000 0.820 441 E CB 0.219 29.764 29.700 -0.258 0.000 0.770 441 E HN 0.351 nan 8.360 nan 0.000 0.462 442 Y N -0.869 119.497 120.300 0.110 0.000 2.498 442 Y HA 0.218 4.768 4.550 0.000 0.000 0.259 442 Y C 0.451 176.467 175.900 0.194 0.000 1.086 442 Y CA 0.085 58.275 58.100 0.151 0.000 1.287 442 Y CB 1.040 39.604 38.460 0.175 0.000 1.146 442 Y HN -0.044 nan 8.280 nan 0.000 0.523 443 D N -0.228 120.368 120.400 0.326 0.000 2.945 443 D HA 0.162 4.802 4.640 0.000 0.000 0.340 443 D C -2.120 174.256 176.300 0.126 0.000 1.240 443 D CA -1.965 52.173 54.000 0.229 0.000 0.749 443 D CB 0.616 41.586 40.800 0.284 0.000 1.217 443 D HN -0.055 nan 8.370 nan 0.000 0.514 444 P HA -0.151 nan 4.420 nan 0.000 0.216 444 P C 0.750 178.065 177.300 0.024 0.000 1.150 444 P CA 1.013 64.141 63.100 0.047 0.000 0.843 444 P CB 0.537 32.253 31.700 0.025 0.000 0.787 445 E N -1.018 119.187 120.200 0.008 0.000 2.476 445 E HA 0.001 4.351 4.350 0.000 0.000 0.191 445 E C 0.432 177.009 176.600 -0.038 0.000 1.064 445 E CA -0.262 56.127 56.400 -0.019 0.000 0.866 445 E CB -1.237 28.442 29.700 -0.035 0.000 0.952 445 E HN 0.127 nan 8.360 nan 0.000 0.492 446 N N 1.735 120.421 118.700 -0.023 0.000 2.705 446 N HA -0.215 4.525 4.740 0.000 0.000 0.255 446 N C 0.448 175.892 175.510 -0.109 0.000 1.008 446 N CA 0.244 53.269 53.050 -0.042 0.000 0.742 446 N CB -0.413 38.053 38.487 -0.035 0.000 0.906 446 N HN 0.014 nan 8.380 nan 0.000 0.541 447 R N -0.518 119.865 120.500 -0.195 0.000 2.235 447 R HA 0.047 4.388 4.340 0.000 0.000 0.213 447 R C 0.154 176.179 176.300 -0.459 0.000 1.059 447 R CA 0.765 56.651 56.100 -0.356 0.000 0.997 447 R CB -0.144 29.860 30.300 -0.494 0.000 0.884 447 R HN 0.349 nan 8.270 nan 0.000 0.462 448 F N 1.603 121.504 119.950 -0.083 0.000 2.318 448 F HA 0.287 4.814 4.527 0.000 0.000 0.356 448 F C 1.193 176.882 175.800 -0.186 0.000 1.109 448 F CA -0.772 57.156 58.000 -0.121 0.000 1.234 448 F CB 0.479 39.394 39.000 -0.142 0.000 1.545 448 F HN -0.064 nan 8.300 nan 0.000 0.534 449 R N -1.085 119.360 120.500 -0.092 0.000 2.543 449 R HA 0.251 4.591 4.340 0.000 0.000 0.323 449 R C -0.581 175.541 176.300 -0.297 0.000 1.002 449 R CA -0.204 55.780 56.100 -0.192 0.000 1.106 449 R CB -0.431 29.749 30.300 -0.199 0.000 1.280 449 R HN 0.411 nan 8.270 nan 0.000 0.549 450 H N 1.575 120.580 119.070 -0.108 0.000 2.508 450 H HA 0.270 4.826 4.556 0.000 0.000 0.224 450 H C -0.843 174.080 175.328 -0.675 0.000 1.723 450 H CA -0.479 55.474 56.048 -0.158 0.000 1.251 450 H CB 0.142 29.918 29.762 0.022 0.000 1.627 450 H HN 0.520 nan 8.280 nan 0.000 0.543 451 N N -1.403 116.732 118.700 -0.941 0.000 3.378 451 N HA 0.034 4.774 4.740 0.000 0.000 0.294 451 N C -1.652 173.405 175.510 -0.755 0.000 1.544 451 N CA -0.977 51.281 53.050 -1.320 0.000 0.872 451 N CB 0.470 38.545 38.487 -0.685 0.000 1.670 451 N HN -0.093 nan 8.380 nan 0.000 0.551 452 Y N 0.539 120.639 120.300 -0.334 0.000 2.517 452 Y HA 0.214 4.764 4.550 0.000 0.000 0.341 452 Y C 1.040 176.922 175.900 -0.030 0.000 1.247 452 Y CA -0.938 57.152 58.100 -0.017 0.000 1.774 452 Y CB -1.516 37.024 38.460 0.134 0.000 1.641 452 Y HN 0.469 nan 8.280 nan 0.000 0.457 453 N N 2.834 121.566 118.700 0.053 0.000 2.407 453 N HA 0.032 4.773 4.740 0.000 0.000 0.250 453 N C -0.872 174.667 175.510 0.048 0.000 1.236 453 N CA -0.040 53.000 53.050 -0.017 0.000 0.879 453 N CB 0.509 38.983 38.487 -0.023 0.000 1.088 453 N HN 0.276 nan 8.380 nan 0.000 0.450 454 I N 2.479 123.003 120.570 -0.077 0.000 2.389 454 I HA 0.122 4.292 4.170 0.000 0.000 0.288 454 I C -0.153 175.931 176.117 -0.054 0.000 0.999 454 I CA -0.571 60.644 61.300 -0.143 0.000 1.129 454 I CB 1.318 39.109 38.000 -0.347 0.000 1.288 454 I HN 0.529 nan 8.210 nan 0.000 0.444 455 D N 9.250 129.700 120.400 0.083 0.000 2.277 455 D HA 0.234 4.874 4.640 0.000 0.000 0.249 455 D C -1.687 174.652 176.300 0.064 0.000 1.134 455 D CA -1.678 52.373 54.000 0.085 0.000 0.863 455 D CB 2.241 43.127 40.800 0.142 0.000 1.143 455 D HN 0.258 nan 8.370 nan 0.000 0.458 456 P HA -0.053 nan 4.420 nan 0.000 0.244 456 P C -0.372 176.965 177.300 0.061 0.000 1.211 456 P CA 0.285 63.414 63.100 0.049 0.000 0.760 456 P CB 0.115 31.845 31.700 0.049 0.000 0.961 457 E N 0.000 120.247 120.200 0.079 0.000 2.725 457 E HA 0.000 4.350 4.350 0.000 0.000 0.291 457 E CA 0.000 56.447 56.400 0.079 0.000 0.976 457 E CB 0.000 29.758 29.700 0.096 0.000 0.812 457 E HN 0.000 nan 8.360 nan 0.000 0.440