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 2jge_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GEXAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.613 176.600 0.022 0.000 1.382 1 E CA 0.000 56.416 56.400 0.027 0.000 0.976 1 E CB 0.000 29.717 29.700 0.028 0.000 0.812 2 G N 1.247 110.059 108.800 0.019 0.000 4.655 2 G HA2 -0.330 3.636 3.960 0.010 0.000 0.220 2 G HA3 -0.330 3.636 3.960 0.010 0.000 0.220 2 G C 1.140 176.050 174.900 0.016 0.000 1.403 2 G CA 0.844 45.953 45.100 0.016 0.000 0.931 2 G HN 0.142 nan 8.290 nan 0.000 0.654 3 R N 1.991 122.501 120.500 0.017 0.000 2.308 3 R HA 0.274 4.620 4.340 0.010 0.000 0.202 3 R C 0.988 177.301 176.300 0.021 0.000 0.898 3 R CA 0.470 56.580 56.100 0.017 0.000 1.046 3 R CB 0.048 30.356 30.300 0.014 0.000 1.026 3 R HN 0.705 nan 8.270 nan 0.000 0.512 4 E N 1.338 121.553 120.200 0.025 0.000 2.392 4 E HA -0.031 4.325 4.350 0.010 0.000 0.256 4 E C -0.312 176.312 176.600 0.040 0.000 1.145 4 E CA -0.317 56.102 56.400 0.032 0.000 0.929 4 E CB 0.541 30.263 29.700 0.036 0.000 0.998 4 E HN -0.103 nan 8.360 nan 0.000 0.442 5 D N 2.264 122.695 120.400 0.051 0.000 2.382 5 D HA -0.012 4.634 4.640 0.010 0.000 0.259 5 D C -1.448 174.888 176.300 0.060 0.000 1.224 5 D CA -1.769 52.274 54.000 0.071 0.000 0.894 5 D CB 0.854 41.722 40.800 0.113 0.000 1.127 5 D HN 0.123 nan 8.370 nan 0.000 0.487 6 P HA -0.174 nan 4.420 nan 0.000 0.218 6 P C 0.978 178.286 177.300 0.014 0.000 1.146 6 P CA 0.867 63.980 63.100 0.022 0.000 0.813 6 P CB 0.411 32.113 31.700 0.004 0.000 0.778 7 Q N -0.928 118.865 119.800 -0.010 0.000 2.482 7 Q HA 0.103 4.449 4.340 0.010 0.000 0.209 7 Q C 1.741 177.797 176.000 0.093 0.000 0.961 7 Q CA 0.586 56.356 55.803 -0.055 0.000 0.945 7 Q CB -0.038 28.489 28.738 -0.351 0.000 1.012 7 Q HN 0.422 nan 8.270 nan 0.000 0.515 8 L N -0.135 121.168 121.223 0.134 0.000 2.766 8 L HA 0.240 4.585 4.340 0.010 0.000 0.242 8 L C 0.034 177.084 176.870 0.299 0.000 1.136 8 L CA 0.009 54.963 54.840 0.189 0.000 0.933 8 L CB 0.488 42.583 42.059 0.061 0.000 1.241 8 L HN -0.039 nan 8.230 nan 0.000 0.522 9 L N 1.014 122.362 121.223 0.208 0.000 2.276 9 L HA 0.511 4.857 4.340 0.010 0.000 0.286 9 L C -0.747 176.176 176.870 0.088 0.000 1.024 9 L CA -0.439 54.501 54.840 0.167 0.000 0.826 9 L CB 1.665 43.780 42.059 0.093 0.000 1.211 9 L HN -0.232 nan 8.230 nan 0.000 0.422 10 V N 3.278 123.216 119.914 0.041 0.000 2.735 10 V HA 0.488 4.613 4.120 0.010 0.000 0.310 10 V C -0.226 175.773 176.094 -0.158 0.000 1.061 10 V CA -0.748 61.417 62.300 -0.225 0.000 0.913 10 V CB 2.574 33.969 31.823 -0.712 0.000 1.005 10 V HN 0.730 nan 8.190 nan 0.000 0.428 11 R N 2.957 123.343 120.500 -0.189 0.000 2.346 11 R HA 0.802 5.148 4.340 0.010 0.000 0.311 11 R C -0.826 175.375 176.300 -0.166 0.000 0.983 11 R CA -0.313 55.718 56.100 -0.115 0.000 0.880 11 R CB 1.707 31.946 30.300 -0.102 0.000 1.100 11 R HN 0.700 nan 8.270 nan 0.000 0.453 12 V N 1.784 121.662 119.914 -0.060 0.000 3.158 12 V HA 0.494 4.620 4.120 0.010 0.000 0.315 12 V C 1.094 177.113 176.094 -0.124 0.000 1.148 12 V CA -1.067 61.187 62.300 -0.076 0.000 1.042 12 V CB 1.656 33.553 31.823 0.123 0.000 1.101 12 V HN 0.857 nan 8.190 nan 0.000 0.448 13 R N 1.666 122.074 120.500 -0.153 0.000 2.133 13 R HA -0.065 4.281 4.340 0.010 0.000 0.247 13 R C 1.671 177.834 176.300 -0.228 0.000 1.151 13 R CA 2.499 58.503 56.100 -0.159 0.000 0.971 13 R CB -1.128 29.094 30.300 -0.129 0.000 0.866 13 R HN 1.075 nan 8.270 nan 0.000 0.447 14 G N -2.195 106.411 108.800 -0.323 0.000 3.042 14 G HA2 0.443 4.409 3.960 0.010 0.000 0.212 14 G HA3 0.443 4.409 3.960 0.010 0.000 0.212 14 G C 0.275 174.196 174.900 -1.632 0.000 1.166 14 G CA 0.250 44.889 45.100 -0.768 0.000 0.767 14 G HN 0.727 nan 8.290 nan 0.000 0.546 15 G N -0.852 107.331 108.800 -1.028 0.000 2.302 15 G HA2 0.135 4.101 3.960 0.010 0.000 0.264 15 G HA3 0.135 4.101 3.960 0.010 0.000 0.264 15 G C -1.409 173.455 174.900 -0.060 0.000 1.335 15 G CA -0.926 43.684 45.100 -0.817 0.000 0.982 15 G HN 0.255 nan 8.290 nan 0.000 0.473 16 Q N -0.300 119.671 119.800 0.284 0.000 2.256 16 Q HA 0.702 5.047 4.340 0.010 0.000 0.257 16 Q C -0.649 175.630 176.000 0.466 0.000 0.936 16 Q CA -0.463 55.529 55.803 0.315 0.000 0.903 16 Q CB 1.927 30.784 28.738 0.199 0.000 1.263 16 Q HN 0.446 nan 8.270 nan 0.000 0.440 17 L N 2.123 123.542 121.223 0.326 0.000 2.346 17 L HA 0.593 4.939 4.340 0.010 0.000 0.276 17 L C -0.368 176.701 176.870 0.332 0.000 1.006 17 L CA -0.724 54.319 54.840 0.338 0.000 0.817 17 L CB 1.922 44.211 42.059 0.383 0.000 1.272 17 L HN 0.418 nan 8.230 nan 0.000 0.421 18 R N 1.391 122.054 120.500 0.271 0.000 2.295 18 R HA 0.615 4.961 4.340 0.010 0.000 0.324 18 R C -0.076 176.319 176.300 0.159 0.000 0.968 18 R CA -0.276 55.954 56.100 0.217 0.000 0.837 18 R CB 1.420 31.782 30.300 0.103 0.000 1.133 18 R HN 0.816 nan 8.270 nan 0.000 0.450 19 G N 3.404 112.208 108.800 0.006 0.000 2.568 19 G HA2 0.458 4.424 3.960 0.010 0.000 0.293 19 G HA3 0.458 4.424 3.960 0.010 0.000 0.293 19 G C -1.003 173.661 174.900 -0.394 0.000 1.347 19 G CA -0.742 43.989 45.100 -0.616 0.000 1.039 19 G HN 0.606 nan 8.290 nan 0.000 0.523 20 I N -0.951 119.349 120.570 -0.451 0.000 2.730 20 I HA 0.515 4.691 4.170 0.010 0.000 0.298 20 I C -0.180 175.816 176.117 -0.202 0.000 1.089 20 I CA -1.176 59.973 61.300 -0.252 0.000 1.041 20 I CB 2.146 40.015 38.000 -0.218 0.000 1.235 20 I HN 0.399 nan 8.210 nan 0.000 0.423 21 R N 7.749 128.175 120.500 -0.123 0.000 2.210 21 R HA 0.493 4.839 4.340 0.010 0.000 0.338 21 R C -1.646 174.563 176.300 -0.153 0.000 1.062 21 R CA -0.395 55.623 56.100 -0.137 0.000 0.902 21 R CB 0.429 30.622 30.300 -0.178 0.000 1.050 21 R HN 0.635 nan 8.270 nan 0.000 0.461 22 L N 3.998 125.145 121.223 -0.126 0.000 2.334 22 L HA 0.438 4.784 4.340 0.010 0.000 0.275 22 L C 0.104 176.906 176.870 -0.113 0.000 1.036 22 L CA -0.886 53.898 54.840 -0.094 0.000 0.807 22 L CB 1.809 43.850 42.059 -0.029 0.000 1.231 22 L HN 0.448 nan 8.230 nan 0.000 0.438 23 K N 1.741 122.082 120.400 -0.098 0.000 2.276 23 K HA 0.585 4.911 4.320 0.010 0.000 0.285 23 K C -0.500 176.045 176.600 -0.091 0.000 1.062 23 K CA -0.244 55.989 56.287 -0.090 0.000 0.918 23 K CB 1.492 33.951 32.500 -0.068 0.000 1.055 23 K HN 0.667 nan 8.250 nan 0.000 0.477 24 A N 4.585 127.353 122.820 -0.087 0.000 2.322 24 A HA 0.492 4.818 4.320 0.010 0.000 0.327 24 A C -1.978 175.614 177.584 0.014 0.000 1.134 24 A CA -1.672 50.318 52.037 -0.079 0.000 0.831 24 A CB 0.569 19.492 19.000 -0.128 0.000 1.288 24 A HN 0.474 nan 8.150 nan 0.000 0.472 25 P HA -0.141 nan 4.420 nan 0.000 0.215 25 P C 1.416 178.744 177.300 0.046 0.000 1.163 25 P CA 2.216 65.364 63.100 0.080 0.000 0.894 25 P CB 0.128 31.897 31.700 0.116 0.000 0.791 26 G N -2.207 106.623 108.800 0.050 0.000 2.920 26 G HA2 0.386 4.352 3.960 0.010 0.000 0.208 26 G HA3 0.386 4.352 3.960 0.010 0.000 0.208 26 G C 0.618 175.531 174.900 0.021 0.000 1.159 26 G CA 0.570 45.691 45.100 0.034 0.000 0.784 26 G HN 0.658 nan 8.290 nan 0.000 0.535 27 G N -0.607 108.197 108.800 0.007 0.000 2.340 27 G HA2 0.296 4.262 3.960 0.010 0.000 0.282 27 G HA3 0.296 4.262 3.960 0.010 0.000 0.282 27 G C -3.326 171.546 174.900 -0.046 0.000 1.312 27 G CA -0.500 44.591 45.100 -0.014 0.000 0.942 27 G HN 0.098 nan 8.290 nan 0.000 0.495 28 P HA 0.575 nan 4.420 nan 0.000 0.279 28 P C -0.167 177.091 177.300 -0.070 0.000 1.252 28 P CA -0.272 62.712 63.100 -0.193 0.000 0.811 28 P CB 1.707 33.110 31.700 -0.495 0.000 1.035 29 V N -2.066 117.822 119.914 -0.044 0.000 3.078 29 V HA 0.641 4.767 4.120 0.010 0.000 0.311 29 V C -0.353 175.837 176.094 0.160 0.000 1.138 29 V CA -0.892 61.484 62.300 0.127 0.000 1.007 29 V CB 1.712 33.617 31.823 0.138 0.000 1.045 29 V HN 0.434 nan 8.190 nan 0.000 0.432 30 S N 1.628 117.490 115.700 0.271 0.000 2.508 30 S HA 0.861 5.337 4.470 0.010 0.000 0.284 30 S C 0.037 174.648 174.600 0.019 0.000 1.192 30 S CA 0.040 58.331 58.200 0.152 0.000 1.070 30 S CB 1.277 64.629 63.200 0.254 0.000 1.004 30 S HN 1.565 nan 8.310 nan 0.000 0.493 31 A N 2.675 125.325 122.820 -0.283 0.000 2.356 31 A HA 0.807 5.133 4.320 0.010 0.000 0.310 31 A C -1.309 175.865 177.584 -0.682 0.000 1.075 31 A CA -0.615 51.139 52.037 -0.472 0.000 0.746 31 A CB 0.541 19.237 19.000 -0.507 0.000 1.221 31 A HN 0.681 nan 8.150 nan 0.000 0.443 32 F N 2.576 122.341 119.950 -0.309 0.000 2.430 32 F HA 0.500 5.032 4.527 0.009 0.000 0.362 32 F C -0.228 175.375 175.800 -0.329 0.000 1.103 32 F CA -0.292 57.597 58.000 -0.186 0.000 1.045 32 F CB 1.406 40.429 39.000 0.039 0.000 1.276 32 F HN 0.352 nan 8.300 nan 0.000 0.444 33 L N 2.155 123.229 121.223 -0.249 0.000 2.325 33 L HA 0.730 5.076 4.340 0.010 0.000 0.278 33 L C 0.896 177.670 176.870 -0.160 0.000 1.023 33 L CA -1.040 53.593 54.840 -0.345 0.000 0.811 33 L CB 1.735 43.375 42.059 -0.698 0.000 1.249 33 L HN 0.813 nan 8.230 nan 0.000 0.431 34 G N 2.848 111.617 108.800 -0.052 0.000 2.246 34 G HA2 -0.259 3.707 3.960 0.010 0.000 0.273 34 G HA3 -0.259 3.707 3.960 0.010 0.000 0.273 34 G C -0.076 174.888 174.900 0.105 0.000 1.055 34 G CA -0.322 44.784 45.100 0.010 0.000 0.851 34 G HN 0.485 nan 8.290 nan 0.000 0.500 35 I N 2.243 122.852 120.570 0.064 0.000 2.517 35 I HA 0.204 4.380 4.170 0.010 0.000 0.285 35 I C -1.294 174.850 176.117 0.046 0.000 1.106 35 I CA -1.860 59.452 61.300 0.020 0.000 1.402 35 I CB 0.811 38.770 38.000 -0.068 0.000 1.399 35 I HN 0.001 nan 8.210 nan 0.000 0.535 36 P HA 0.053 nan 4.420 nan 0.000 0.276 36 P C -0.243 176.991 177.300 -0.110 0.000 1.230 36 P CA 0.006 62.931 63.100 -0.291 0.000 0.776 36 P CB 0.606 32.111 31.700 -0.325 0.000 0.888 37 F N 0.833 120.629 119.950 -0.257 0.000 2.746 37 F HA 0.692 5.225 4.527 0.010 0.000 0.313 37 F C 0.221 176.013 175.800 -0.014 0.000 1.095 37 F CA -0.590 57.335 58.000 -0.124 0.000 1.224 37 F CB 0.158 39.008 39.000 -0.251 0.000 1.060 37 F HN 0.293 nan 8.300 nan 0.000 0.584 38 A N 0.341 122.834 122.820 -0.545 0.000 2.515 38 A HA 0.595 4.921 4.320 0.010 0.000 0.296 38 A C -0.716 176.693 177.584 -0.291 0.000 1.094 38 A CA -0.743 51.092 52.037 -0.338 0.000 0.718 38 A CB 1.014 19.753 19.000 -0.436 0.000 1.307 38 A HN 0.064 nan 8.150 nan 0.000 0.408 39 E N 1.220 121.332 120.200 -0.147 0.000 2.414 39 E HA 0.208 4.564 4.350 0.010 0.000 0.263 39 E C -2.296 174.204 176.600 -0.166 0.000 1.000 39 E CA -1.322 55.008 56.400 -0.116 0.000 0.914 39 E CB 0.015 29.685 29.700 -0.050 0.000 0.948 39 E HN 0.236 nan 8.360 nan 0.000 0.444 40 P HA -0.011 nan 4.420 nan 0.000 0.260 40 P C -2.230 175.003 177.300 -0.111 0.000 1.185 40 P CA -0.677 62.337 63.100 -0.143 0.000 0.763 40 P CB -0.063 31.591 31.700 -0.076 0.000 0.776 41 P HA 0.008 nan 4.420 nan 0.000 0.218 41 P C -0.108 177.131 177.300 -0.101 0.000 1.793 41 P CA 0.052 63.094 63.100 -0.097 0.000 0.941 41 P CB -0.163 31.482 31.700 -0.092 0.000 1.919 42 V N -2.332 117.530 119.914 -0.086 0.000 3.302 42 V HA 0.860 4.986 4.120 0.010 0.000 0.316 42 V C 1.192 177.241 176.094 -0.076 0.000 1.111 42 V CA 0.175 62.423 62.300 -0.086 0.000 1.029 42 V CB 0.422 32.205 31.823 -0.066 0.000 1.170 42 V HN 0.525 nan 8.190 nan 0.000 0.452 43 G N 1.766 110.524 108.800 -0.071 0.000 2.672 43 G HA2 -0.390 3.575 3.960 0.010 0.000 0.324 43 G HA3 -0.390 3.575 3.960 0.010 0.000 0.324 43 G C 1.272 176.140 174.900 -0.053 0.000 1.286 43 G CA 2.161 47.230 45.100 -0.052 0.000 1.004 43 G HN 2.411 nan 8.290 nan 0.000 0.548 44 S N 0.353 116.036 115.700 -0.028 0.000 2.584 44 S HA 0.014 4.490 4.470 0.010 0.000 0.240 44 S C 1.869 176.458 174.600 -0.019 0.000 0.975 44 S CA 1.666 59.858 58.200 -0.012 0.000 0.949 44 S CB -0.084 63.117 63.200 0.002 0.000 0.761 44 S HN 0.662 nan 8.310 nan 0.000 0.536 45 R N 0.576 121.048 120.500 -0.046 0.000 2.312 45 R HA 0.234 4.580 4.340 0.010 0.000 0.205 45 R C 0.896 177.141 176.300 -0.092 0.000 0.904 45 R CA -0.266 55.805 56.100 -0.047 0.000 1.052 45 R CB 0.048 30.322 30.300 -0.044 0.000 1.014 45 R HN 0.427 nan 8.270 nan 0.000 0.503 46 R N 0.904 121.294 120.500 -0.184 0.000 2.585 46 R HA -0.140 4.206 4.340 0.010 0.000 0.275 46 R C -0.300 175.733 176.300 -0.444 0.000 1.018 46 R CA 0.702 56.547 56.100 -0.426 0.000 1.072 46 R CB 0.125 30.046 30.300 -0.632 0.000 0.953 46 R HN 0.088 nan 8.270 nan 0.000 0.419 47 F N -0.837 119.116 119.950 0.005 0.000 2.590 47 F HA -0.300 4.233 4.527 0.009 0.000 0.471 47 F C 0.178 175.960 175.800 -0.031 0.000 0.551 47 F CA 0.594 58.571 58.000 -0.038 0.000 1.228 47 F CB -1.437 37.529 39.000 -0.057 0.000 1.862 47 F HN 0.446 nan 8.300 nan 0.000 0.271 48 M N 1.661 121.316 119.600 0.091 0.000 2.274 48 M HA 0.370 4.856 4.480 0.010 0.000 0.344 48 M C -1.844 174.478 176.300 0.036 0.000 1.161 48 M CA -1.464 53.873 55.300 0.062 0.000 1.126 48 M CB 0.369 32.993 32.600 0.040 0.000 1.522 48 M HN -0.332 nan 8.290 nan 0.000 0.461 49 P HA 0.046 nan 4.420 nan 0.000 0.267 49 P C -2.396 174.928 177.300 0.040 0.000 1.201 49 P CA -0.399 62.730 63.100 0.048 0.000 0.775 49 P CB -0.481 31.256 31.700 0.063 0.000 0.854 50 P HA 0.175 nan 4.420 nan 0.000 0.275 50 P C -0.651 176.678 177.300 0.048 0.000 1.227 50 P CA 0.147 63.270 63.100 0.037 0.000 0.781 50 P CB 0.858 32.605 31.700 0.078 0.000 0.906 51 E N 3.371 123.583 120.200 0.021 0.000 2.166 51 E HA 0.351 4.707 4.350 0.010 0.000 0.275 51 E C -2.262 174.361 176.600 0.038 0.000 0.941 51 E CA -2.395 54.025 56.400 0.034 0.000 0.784 51 E CB 0.842 30.554 29.700 0.020 0.000 1.115 51 E HN 0.334 nan 8.360 nan 0.000 0.399 52 P HA -0.091 nan 4.420 nan 0.000 0.265 52 P C -0.776 176.578 177.300 0.091 0.000 1.187 52 P CA -0.015 63.152 63.100 0.113 0.000 0.766 52 P CB 0.397 32.171 31.700 0.123 0.000 0.820 53 K N 3.781 124.251 120.400 0.117 0.000 2.451 53 K HA 0.037 4.363 4.320 0.010 0.000 0.280 53 K C -0.009 176.681 176.600 0.151 0.000 1.020 53 K CA 0.391 56.748 56.287 0.117 0.000 1.008 53 K CB 0.171 32.770 32.500 0.164 0.000 0.917 53 K HN 0.255 nan 8.250 nan 0.000 0.478 54 R N 4.852 125.425 120.500 0.121 0.000 2.490 54 R HA 0.219 4.565 4.340 0.010 0.000 0.280 54 R C -2.048 174.324 176.300 0.120 0.000 1.077 54 R CA -1.714 54.442 56.100 0.093 0.000 1.065 54 R CB 0.450 30.790 30.300 0.068 0.000 1.003 54 R HN 0.586 nan 8.270 nan 0.000 0.470 55 P HA -0.079 nan 4.420 nan 0.000 0.267 55 P C -1.216 176.075 177.300 -0.015 0.000 1.200 55 P CA 0.113 63.115 63.100 -0.163 0.000 0.772 55 P CB 0.313 31.880 31.700 -0.222 0.000 0.855 56 W N 1.400 122.731 121.300 0.051 0.000 2.576 56 W HA 0.702 5.368 4.660 0.009 0.000 0.360 56 W C -0.569 175.974 176.519 0.041 0.000 1.109 56 W CA -0.889 56.483 57.345 0.046 0.000 1.237 56 W CB 0.069 29.564 29.460 0.058 0.000 1.369 56 W HN 0.373 nan 8.180 nan 0.000 0.609 57 S N 1.137 116.997 115.700 0.266 0.000 2.621 57 S HA 0.895 5.370 4.470 0.010 0.000 0.302 57 S C 0.218 174.979 174.600 0.268 0.000 1.093 57 S CA -0.121 58.176 58.200 0.162 0.000 1.017 57 S CB 1.073 64.327 63.200 0.089 0.000 1.077 57 S HN 2.167 nan 8.310 nan 0.000 0.517 58 G N -0.144 108.773 108.800 0.194 0.000 2.698 58 G HA2 -0.079 3.887 3.960 0.010 0.000 0.225 58 G HA3 -0.079 3.887 3.960 0.010 0.000 0.225 58 G C -0.908 174.149 174.900 0.262 0.000 1.345 58 G CA -0.461 44.750 45.100 0.186 0.000 0.871 58 G HN 1.601 nan 8.290 nan 0.000 0.540 59 V N 0.976 121.003 119.914 0.187 0.000 2.348 59 V HA 0.486 4.612 4.120 0.010 0.000 0.270 59 V C 0.964 177.141 176.094 0.138 0.000 1.037 59 V CA -0.192 62.225 62.300 0.194 0.000 0.872 59 V CB 1.038 32.939 31.823 0.131 0.000 1.002 59 V HN 0.816 nan 8.190 nan 0.000 0.464 60 L N 5.051 126.351 121.223 0.130 0.000 2.410 60 L HA 0.262 4.608 4.340 0.010 0.000 0.273 60 L C 0.696 177.551 176.870 -0.025 0.000 1.144 60 L CA 0.179 54.956 54.840 -0.105 0.000 0.863 60 L CB 0.571 42.306 42.059 -0.540 0.000 1.140 60 L HN 0.696 nan 8.230 nan 0.000 0.463 61 D N 5.032 125.403 120.400 -0.050 0.000 2.358 61 D HA 0.120 4.766 4.640 0.010 0.000 0.258 61 D C -0.357 175.911 176.300 -0.054 0.000 1.223 61 D CA 0.043 54.023 54.000 -0.034 0.000 0.886 61 D CB 1.424 42.195 40.800 -0.048 0.000 1.120 61 D HN 0.683 nan 8.370 nan 0.000 0.482 62 A N 3.276 126.089 122.820 -0.011 0.000 3.041 62 A HA 0.206 4.532 4.320 0.010 0.000 0.307 62 A C 0.981 178.492 177.584 -0.122 0.000 1.116 62 A CA -0.422 51.605 52.037 -0.017 0.000 1.001 62 A CB -0.118 18.985 19.000 0.171 0.000 1.112 62 A HN 0.585 nan 8.150 nan 0.000 0.556 63 T N -3.350 111.110 114.554 -0.156 0.000 3.010 63 T HA 0.262 4.618 4.350 0.010 0.000 0.257 63 T C 0.657 175.207 174.700 -0.250 0.000 1.020 63 T CA 0.738 62.714 62.100 -0.207 0.000 0.938 63 T CB -0.181 68.598 68.868 -0.148 0.000 1.049 63 T HN 0.666 nan 8.240 nan 0.000 0.522 64 T N -0.459 113.946 114.554 -0.249 0.000 2.903 64 T HA 0.697 5.053 4.350 0.010 0.000 0.299 64 T C -0.724 173.815 174.700 -0.270 0.000 1.093 64 T CA -0.889 61.057 62.100 -0.258 0.000 1.002 64 T CB 1.049 69.834 68.868 -0.139 0.000 1.127 64 T HN -0.008 nan 8.240 nan 0.000 0.488 65 F N 2.047 121.936 119.950 -0.102 0.000 2.595 65 F HA 0.282 4.815 4.527 0.010 0.000 0.359 65 F C 1.482 177.185 175.800 -0.161 0.000 1.147 65 F CA 0.019 57.957 58.000 -0.103 0.000 1.341 65 F CB 0.398 39.364 39.000 -0.056 0.000 1.104 65 F HN 0.484 nan 8.300 nan 0.000 0.603 66 Q N 1.308 121.114 119.800 0.010 0.000 2.199 66 Q HA 0.258 4.604 4.340 0.010 0.000 0.205 66 Q C -0.247 175.658 176.000 -0.158 0.000 1.001 66 Q CA -0.880 54.770 55.803 -0.256 0.000 1.019 66 Q CB 0.665 28.961 28.738 -0.736 0.000 1.132 66 Q HN 0.636 nan 8.270 nan 0.000 0.530 67 N N -0.887 117.675 118.700 -0.229 0.000 2.305 67 N HA 0.021 4.766 4.740 0.010 0.000 0.232 67 N C -0.636 174.841 175.510 -0.056 0.000 1.274 67 N CA -0.155 52.825 53.050 -0.116 0.000 0.870 67 N CB 0.442 38.877 38.487 -0.087 0.000 1.105 67 N HN 0.136 nan 8.380 nan 0.000 0.436 68 V N 1.276 121.143 119.914 -0.078 0.000 2.539 68 V HA 0.152 4.277 4.120 0.010 0.000 0.292 68 V C 0.328 176.376 176.094 -0.078 0.000 1.045 68 V CA -0.892 61.357 62.300 -0.086 0.000 0.945 68 V CB 1.318 33.057 31.823 -0.140 0.000 0.993 68 V HN 0.806 nan 8.190 nan 0.000 0.464 69 c N 3.739 122.313 118.600 -0.043 0.000 2.657 69 c HA 0.149 4.724 4.570 0.010 0.000 0.420 69 c C 0.478 174.531 174.090 -0.062 0.000 1.323 69 c CA -0.554 55.758 56.329 -0.029 0.000 1.894 69 c CB -0.992 41.532 42.510 0.022 0.000 2.681 69 c HN 0.751 nan 8.230 nan 0.000 0.613 70 Y N 3.787 123.949 120.300 -0.230 0.000 2.717 70 Y HA 0.215 4.771 4.550 0.010 0.000 0.330 70 Y C 0.809 176.713 175.900 0.007 0.000 1.217 70 Y CA 1.142 59.098 58.100 -0.241 0.000 1.506 70 Y CB 0.174 38.258 38.460 -0.627 0.000 1.268 70 Y HN 0.748 nan 8.280 nan 0.000 0.561 71 Q N 3.994 123.848 119.800 0.091 0.000 2.633 71 Q HA 0.191 4.537 4.340 0.010 0.000 0.289 71 Q C -1.894 174.290 176.000 0.306 0.000 0.940 71 Q CA -1.193 54.788 55.803 0.297 0.000 0.785 71 Q CB 1.036 29.900 28.738 0.210 0.000 1.467 71 Q HN 0.665 nan 8.270 nan 0.000 0.401 72 Y N 1.355 121.864 120.300 0.349 0.000 2.632 72 Y HA 0.291 4.847 4.550 0.010 0.000 0.329 72 Y C -0.864 175.203 175.900 0.278 0.000 1.174 72 Y CA 0.270 58.585 58.100 0.357 0.000 1.469 72 Y CB 0.787 39.566 38.460 0.533 0.000 1.242 72 Y HN 0.429 nan 8.280 nan 0.000 0.540 73 V N 7.492 127.179 119.914 -0.379 0.000 2.350 73 V HA 0.055 4.180 4.120 0.010 0.000 0.276 73 V C 0.003 175.825 176.094 -0.453 0.000 1.028 73 V CA -0.965 61.169 62.300 -0.276 0.000 0.860 73 V CB 1.142 32.859 31.823 -0.177 0.000 0.990 73 V HN 0.758 nan 8.190 nan 0.000 0.453 74 D N 3.977 124.319 120.400 -0.095 0.000 2.458 74 D HA 0.040 4.686 4.640 0.010 0.000 0.243 74 D C 0.698 177.027 176.300 0.049 0.000 1.146 74 D CA 0.356 54.402 54.000 0.076 0.000 0.877 74 D CB 1.519 42.507 40.800 0.314 0.000 1.176 74 D HN 0.722 nan 8.370 nan 0.000 0.461 75 T N 1.685 116.269 114.554 0.050 0.000 3.337 75 T HA 0.046 4.402 4.350 0.010 0.000 0.299 75 T C 1.482 176.192 174.700 0.017 0.000 0.998 75 T CA -0.515 61.605 62.100 0.033 0.000 0.948 75 T CB 0.078 68.937 68.868 -0.016 0.000 1.170 75 T HN 0.227 nan 8.240 nan 0.000 0.508 76 L N 0.887 122.129 121.223 0.032 0.000 1.994 76 L HA 0.188 4.534 4.340 0.010 0.000 0.208 76 L C -0.175 176.430 176.870 -0.442 0.000 1.071 76 L CA 1.671 56.364 54.840 -0.245 0.000 0.745 76 L CB -0.367 41.459 42.059 -0.389 0.000 0.892 76 L HN 0.434 nan 8.230 nan 0.000 0.431 77 Y N -0.054 120.288 120.300 0.070 0.000 2.863 77 Y HA 0.421 4.976 4.550 0.010 0.000 0.348 77 Y C -2.176 173.773 175.900 0.083 0.000 1.028 77 Y CA -3.411 54.705 58.100 0.027 0.000 1.213 77 Y CB -0.183 38.245 38.460 -0.053 0.000 1.120 77 Y HN 0.082 nan 8.280 nan 0.000 0.598 78 P HA 0.133 nan 4.420 nan 0.000 0.261 78 P C 1.013 178.375 177.300 0.103 0.000 1.203 78 P CA 1.370 64.530 63.100 0.099 0.000 0.767 78 P CB 0.669 32.397 31.700 0.048 0.000 0.785 79 G N 2.883 111.738 108.800 0.091 0.000 2.232 79 G HA2 -0.255 3.711 3.960 0.010 0.000 0.226 79 G HA3 -0.255 3.711 3.960 0.010 0.000 0.226 79 G C -0.131 174.823 174.900 0.089 0.000 0.996 79 G CA -0.576 44.562 45.100 0.064 0.000 0.626 79 G HN 0.510 nan 8.290 nan 0.000 0.509 80 F N 2.672 122.588 119.950 -0.057 0.000 2.445 80 F HA 0.620 5.152 4.527 0.009 0.000 0.359 80 F C 1.387 177.096 175.800 -0.151 0.000 1.101 80 F CA -0.440 57.475 58.000 -0.141 0.000 1.177 80 F CB 1.495 40.384 39.000 -0.185 0.000 1.110 80 F HN 0.231 nan 8.300 nan 0.000 0.522 81 E N 4.021 123.808 120.200 -0.687 0.000 2.085 81 E HA -0.093 4.263 4.350 0.010 0.000 0.194 81 E C 2.205 178.324 176.600 -0.801 0.000 0.994 81 E CA 1.820 57.843 56.400 -0.629 0.000 0.801 81 E CB -0.490 28.915 29.700 -0.493 0.000 0.743 81 E HN 0.921 nan 8.360 nan 0.000 0.453 82 G N -0.599 107.228 108.800 -1.622 0.000 2.475 82 G HA2 -0.346 3.620 3.960 0.010 0.000 0.220 82 G HA3 -0.346 3.620 3.960 0.010 0.000 0.220 82 G C 1.701 176.624 174.900 0.037 0.000 1.125 82 G CA 1.756 46.209 45.100 -1.078 0.000 0.755 82 G HN 0.504 nan 8.290 nan 0.000 0.565 83 T N -2.049 112.509 114.554 0.006 0.000 3.039 83 T HA 0.152 4.508 4.350 0.010 0.000 0.250 83 T C 1.927 176.790 174.700 0.272 0.000 1.052 83 T CA 0.793 63.198 62.100 0.508 0.000 1.125 83 T CB 0.104 69.339 68.868 0.612 0.000 0.908 83 T HN 0.157 nan 8.240 nan 0.000 0.473 84 E N 2.551 122.762 120.200 0.018 0.000 2.072 84 E HA -0.095 4.261 4.350 0.010 0.000 0.191 84 E C 2.323 178.833 176.600 -0.151 0.000 0.985 84 E CA 1.395 57.768 56.400 -0.045 0.000 0.801 84 E CB -0.571 29.069 29.700 -0.099 0.000 0.750 84 E HN 0.769 nan 8.360 nan 0.000 0.452 85 M N -1.749 117.654 119.600 -0.329 0.000 2.337 85 M HA -0.132 4.353 4.480 0.010 0.000 0.261 85 M C 1.416 177.326 176.300 -0.651 0.000 1.067 85 M CA 1.639 56.590 55.300 -0.581 0.000 1.074 85 M CB -0.696 31.412 32.600 -0.819 0.000 1.395 85 M HN 0.037 nan 8.290 nan 0.000 0.431 86 W N 1.254 122.488 121.300 -0.109 0.000 2.996 86 W HA 0.273 4.938 4.660 0.009 0.000 0.270 86 W C 0.381 176.833 176.519 -0.113 0.000 1.280 86 W CA -0.805 56.466 57.345 -0.124 0.000 1.549 86 W CB -0.165 29.269 29.460 -0.043 0.000 1.079 86 W HN 0.203 nan 8.180 nan 0.000 0.629 87 N N 1.274 120.023 118.700 0.082 0.000 2.444 87 N HA 0.110 4.856 4.740 0.010 0.000 0.255 87 N C -2.430 173.038 175.510 -0.069 0.000 1.255 87 N CA -1.497 51.567 53.050 0.023 0.000 0.933 87 N CB 0.393 38.888 38.487 0.014 0.000 1.143 87 N HN -0.422 nan 8.380 nan 0.000 0.453 88 P HA 0.013 nan 4.420 nan 0.000 0.266 88 P C -0.536 176.684 177.300 -0.133 0.000 1.195 88 P CA 0.111 63.133 63.100 -0.130 0.000 0.768 88 P CB 0.396 32.015 31.700 -0.136 0.000 0.838 89 N N 1.444 120.052 118.700 -0.153 0.000 2.238 89 N HA 0.111 4.857 4.740 0.010 0.000 0.235 89 N C 0.028 175.472 175.510 -0.110 0.000 1.209 89 N CA -0.114 52.853 53.050 -0.137 0.000 0.879 89 N CB 0.502 38.888 38.487 -0.169 0.000 1.136 89 N HN 0.151 nan 8.380 nan 0.000 0.517 90 R N 0.131 120.564 120.500 -0.112 0.000 2.817 90 R HA 0.270 4.616 4.340 0.010 0.000 0.268 90 R C -0.711 175.526 176.300 -0.105 0.000 1.027 90 R CA -0.661 55.386 56.100 -0.089 0.000 0.928 90 R CB 1.160 31.417 30.300 -0.072 0.000 1.228 90 R HN 0.275 nan 8.270 nan 0.000 0.469 91 E N 1.479 121.623 120.200 -0.094 0.000 2.502 91 E HA -0.026 4.330 4.350 0.010 0.000 0.261 91 E C -0.471 176.049 176.600 -0.133 0.000 0.974 91 E CA 0.101 56.441 56.400 -0.101 0.000 0.936 91 E CB 0.524 30.178 29.700 -0.077 0.000 0.926 91 E HN 0.258 nan 8.360 nan 0.000 0.459 92 L N 3.586 124.693 121.223 -0.194 0.000 2.331 92 L HA 0.262 4.608 4.340 0.010 0.000 0.278 92 L C 0.243 177.019 176.870 -0.157 0.000 1.106 92 L CA -0.042 54.606 54.840 -0.321 0.000 0.824 92 L CB 1.178 42.814 42.059 -0.705 0.000 1.142 92 L HN 0.447 nan 8.230 nan 0.000 0.443 93 S N 1.334 117.009 115.700 -0.041 0.000 2.543 93 S HA 0.182 4.658 4.470 0.010 0.000 0.274 93 S C 0.257 174.885 174.600 0.047 0.000 1.149 93 S CA -0.662 57.596 58.200 0.096 0.000 0.866 93 S CB 1.647 64.862 63.200 0.025 0.000 1.111 93 S HN 0.749 nan 8.310 nan 0.000 0.457 94 E N 0.964 121.151 120.200 -0.021 0.000 2.268 94 E HA -0.076 4.280 4.350 0.010 0.000 0.195 94 E C -0.284 176.271 176.600 -0.075 0.000 0.995 94 E CA 0.532 56.838 56.400 -0.157 0.000 0.836 94 E CB 0.104 29.659 29.700 -0.242 0.000 0.763 94 E HN 0.544 nan 8.360 nan 0.000 0.491 95 D N 0.181 120.572 120.400 -0.014 0.000 2.470 95 D HA -0.015 4.631 4.640 0.010 0.000 0.226 95 D C 0.146 176.549 176.300 0.171 0.000 1.196 95 D CA -0.157 53.872 54.000 0.049 0.000 0.979 95 D CB 0.047 40.889 40.800 0.071 0.000 1.059 95 D HN 0.148 nan 8.370 nan 0.000 0.515 96 c N 2.348 121.033 118.600 0.142 0.000 4.015 96 c HA 0.348 4.924 4.570 0.010 0.000 0.323 96 c C 0.880 175.110 174.090 0.234 0.000 1.724 96 c CA -0.585 55.885 56.329 0.234 0.000 1.828 96 c CB -1.107 41.457 42.510 0.090 0.000 3.083 96 c HN 0.433 nan 8.230 nan 0.000 0.640 97 L N 2.580 123.701 121.223 -0.170 0.000 2.376 97 L HA 0.322 4.668 4.340 0.010 0.000 0.250 97 L C -0.895 175.403 176.870 -0.953 0.000 1.335 97 L CA 0.622 55.121 54.840 -0.569 0.000 1.214 97 L CB -0.881 40.689 42.059 -0.815 0.000 1.395 97 L HN 0.434 nan 8.230 nan 0.000 0.424 98 Y N 1.369 121.660 120.300 -0.016 0.000 2.536 98 Y HA 0.636 5.192 4.550 0.009 0.000 0.347 98 Y C 0.014 176.129 175.900 0.358 0.000 1.000 98 Y CA -1.295 56.880 58.100 0.126 0.000 1.051 98 Y CB 1.909 40.383 38.460 0.022 0.000 1.259 98 Y HN 0.157 nan 8.280 nan 0.000 0.468 99 L N -0.349 121.062 121.223 0.314 0.000 2.257 99 L HA 0.775 5.121 4.340 0.010 0.000 0.257 99 L C -1.261 175.598 176.870 -0.019 0.000 1.033 99 L CA -1.234 53.648 54.840 0.071 0.000 0.835 99 L CB 1.574 43.468 42.059 -0.275 0.000 1.398 99 L HN 0.497 nan 8.230 nan 0.000 0.429 100 N N -0.349 118.327 118.700 -0.039 0.000 2.225 100 N HA 0.712 5.458 4.740 0.010 0.000 0.298 100 N C -1.623 173.763 175.510 -0.207 0.000 1.076 100 N CA -0.400 52.555 53.050 -0.158 0.000 0.792 100 N CB 2.907 41.319 38.487 -0.125 0.000 1.498 100 N HN 0.484 nan 8.380 nan 0.000 0.474 101 V N 1.506 121.221 119.914 -0.332 0.000 2.577 101 V HA 0.452 4.577 4.120 0.010 0.000 0.303 101 V C -0.884 175.088 176.094 -0.203 0.000 1.042 101 V CA -0.748 61.435 62.300 -0.196 0.000 0.872 101 V CB 2.198 33.787 31.823 -0.390 0.000 0.998 101 V HN 0.553 nan 8.190 nan 0.000 0.423 102 W N 3.206 124.585 121.300 0.132 0.000 2.529 102 W HA 0.671 5.337 4.660 0.010 0.000 0.321 102 W C 0.165 176.777 176.519 0.156 0.000 1.047 102 W CA -0.429 56.998 57.345 0.137 0.000 1.216 102 W CB 2.362 31.888 29.460 0.109 0.000 1.357 102 W HN 0.640 nan 8.180 nan 0.000 0.489 103 T N 0.330 115.118 114.554 0.391 0.000 2.896 103 T HA 0.512 4.868 4.350 0.010 0.000 0.297 103 T C -2.797 172.073 174.700 0.283 0.000 1.108 103 T CA -2.514 59.777 62.100 0.318 0.000 1.004 103 T CB 2.307 71.380 68.868 0.342 0.000 1.159 103 T HN -0.096 nan 8.240 nan 0.000 0.499 104 P HA 0.141 nan 4.420 nan 0.000 0.267 104 P C -1.520 175.925 177.300 0.243 0.000 1.201 104 P CA -0.045 63.174 63.100 0.199 0.000 0.775 104 P CB 0.082 31.870 31.700 0.146 0.000 0.854 105 Y N 3.124 123.478 120.300 0.090 0.000 2.338 105 Y HA 0.427 4.983 4.550 0.009 0.000 0.333 105 Y C -2.172 173.762 175.900 0.058 0.000 0.968 105 Y CA -2.569 55.578 58.100 0.078 0.000 1.123 105 Y CB 1.256 39.752 38.460 0.059 0.000 1.165 105 Y HN 0.341 nan 8.280 nan 0.000 0.452 106 P HA 0.203 nan 4.420 nan 0.000 0.272 106 P C -0.944 176.321 177.300 -0.059 0.000 1.240 106 P CA -0.342 62.578 63.100 -0.299 0.000 0.791 106 P CB 1.042 32.603 31.700 -0.230 0.000 0.978 107 R N 1.441 121.917 120.500 -0.039 0.000 2.638 107 R HA 0.093 4.439 4.340 0.010 0.000 0.268 107 R C -1.555 174.771 176.300 0.043 0.000 1.006 107 R CA -0.828 55.308 56.100 0.059 0.000 1.088 107 R CB -0.810 29.538 30.300 0.080 0.000 0.950 107 R HN 0.485 nan 8.270 nan 0.000 0.419 108 P HA -0.076 nan 4.420 nan 0.000 0.269 108 P C -0.108 177.211 177.300 0.032 0.000 1.217 108 P CA 0.129 63.261 63.100 0.053 0.000 0.783 108 P CB 0.689 32.429 31.700 0.067 0.000 0.898 109 A N 2.780 125.614 122.820 0.024 0.000 1.832 109 A HA -0.042 4.284 4.320 0.010 0.000 0.214 109 A C 1.175 178.765 177.584 0.011 0.000 1.200 109 A CA 1.749 53.793 52.037 0.013 0.000 0.610 109 A CB -1.262 17.745 19.000 0.011 0.000 0.842 109 A HN 0.730 nan 8.150 nan 0.000 0.444 110 S N -0.485 115.223 115.700 0.014 0.000 2.651 110 S HA 0.576 5.052 4.470 0.010 0.000 0.291 110 S C -2.961 171.650 174.600 0.018 0.000 1.141 110 S CA -1.760 56.446 58.200 0.010 0.000 1.027 110 S CB 0.668 63.871 63.200 0.005 0.000 1.043 110 S HN 0.095 nan 8.310 nan 0.000 0.530 111 P HA 0.123 nan 4.420 nan 0.000 0.258 111 P C -0.599 176.716 177.300 0.024 0.000 1.187 111 P CA 0.398 63.510 63.100 0.020 0.000 0.767 111 P CB -0.152 31.552 31.700 0.006 0.000 0.770 112 T N 5.723 120.303 114.554 0.045 0.000 2.837 112 T HA 0.359 4.715 4.350 0.010 0.000 0.285 112 T C -2.338 172.393 174.700 0.051 0.000 0.984 112 T CA -1.940 60.189 62.100 0.048 0.000 1.049 112 T CB 0.547 69.457 68.868 0.071 0.000 0.947 112 T HN 0.140 nan 8.240 nan 0.000 0.472 113 P HA 0.132 nan 4.420 nan 0.000 0.264 113 P C -0.832 176.512 177.300 0.072 0.000 1.183 113 P CA -0.176 62.946 63.100 0.035 0.000 0.763 113 P CB 0.353 32.056 31.700 0.005 0.000 0.807 114 V N 5.396 125.370 119.914 0.100 0.000 2.427 114 V HA 0.318 4.444 4.120 0.010 0.000 0.286 114 V C 0.319 176.509 176.094 0.160 0.000 1.034 114 V CA -0.462 61.923 62.300 0.143 0.000 0.893 114 V CB 1.208 33.128 31.823 0.163 0.000 0.982 114 V HN 0.366 nan 8.190 nan 0.000 0.452 115 L N 5.858 127.193 121.223 0.188 0.000 2.313 115 L HA 0.597 4.943 4.340 0.010 0.000 0.283 115 L C -0.641 176.482 176.870 0.422 0.000 1.013 115 L CA -0.320 54.666 54.840 0.243 0.000 0.816 115 L CB 1.686 43.791 42.059 0.076 0.000 1.236 115 L HN 0.497 nan 8.230 nan 0.000 0.419 116 I N 3.007 123.856 120.570 0.465 0.000 2.355 116 I HA 0.208 4.384 4.170 0.010 0.000 0.288 116 I C -0.580 175.788 176.117 0.419 0.000 0.999 116 I CA -0.432 61.102 61.300 0.390 0.000 1.163 116 I CB 1.366 39.475 38.000 0.181 0.000 1.316 116 I HN 0.636 nan 8.210 nan 0.000 0.454 117 W N 8.571 129.942 121.300 0.119 0.000 2.351 117 W HA 0.556 5.221 4.660 0.008 0.000 0.311 117 W C -1.502 174.889 176.519 -0.214 0.000 1.168 117 W CA -0.581 56.584 57.345 -0.300 0.000 1.200 117 W CB 1.149 30.494 29.460 -0.192 0.000 1.221 117 W HN 0.359 nan 8.180 nan 0.000 0.519 118 I N 9.000 128.881 120.570 -1.149 0.000 2.411 118 I HA 0.087 4.263 4.170 0.010 0.000 0.284 118 I C -0.287 174.945 176.117 -1.476 0.000 1.012 118 I CA -1.141 59.535 61.300 -1.040 0.000 1.119 118 I CB 0.806 38.383 38.000 -0.706 0.000 1.261 118 I HN 0.313 nan 8.210 nan 0.000 0.448 119 Y N 4.468 124.223 120.300 -0.909 0.000 2.357 119 Y HA 0.678 5.234 4.550 0.009 0.000 0.340 119 Y C 0.786 176.468 175.900 -0.364 0.000 1.260 119 Y CA -0.772 56.925 58.100 -0.672 0.000 1.425 119 Y CB -0.034 38.265 38.460 -0.268 0.000 1.326 119 Y HN 0.534 nan 8.280 nan 0.000 0.580 120 G N -0.918 107.863 108.800 -0.032 0.000 2.532 120 G HA2 0.487 4.453 3.960 0.010 0.000 0.291 120 G HA3 0.487 4.453 3.960 0.010 0.000 0.291 120 G C 0.287 175.117 174.900 -0.117 0.000 1.349 120 G CA -0.894 44.118 45.100 -0.147 0.000 1.038 120 G HN 1.706 nan 8.290 nan 0.000 0.518 121 G N -2.803 105.757 108.800 -0.400 0.000 2.332 121 G HA2 0.405 4.370 3.960 0.010 0.000 0.216 121 G HA3 0.405 4.370 3.960 0.010 0.000 0.216 121 G C 1.011 175.323 174.900 -0.980 0.000 1.041 121 G CA 0.694 45.436 45.100 -0.596 0.000 0.836 121 G HN 2.287 nan 8.290 nan 0.000 0.530 122 G N -0.288 107.938 108.800 -0.956 0.000 2.296 122 G HA2 -0.131 3.835 3.960 0.010 0.000 0.282 122 G HA3 -0.131 3.835 3.960 0.010 0.000 0.282 122 G C 0.924 175.455 174.900 -0.615 0.000 1.014 122 G CA 0.760 45.068 45.100 -1.321 0.000 0.812 122 G HN 1.720 nan 8.290 nan 0.000 0.508 123 F N -3.502 116.262 119.950 -0.309 0.000 2.935 123 F HA -0.334 4.199 4.527 0.009 0.000 0.317 123 F C 1.512 177.365 175.800 0.087 0.000 0.699 123 F CA 2.218 60.165 58.000 -0.088 0.000 1.127 123 F CB -2.083 36.736 39.000 -0.302 0.000 1.491 123 F HN 0.874 nan 8.300 nan 0.000 0.337 124 Y N -1.333 119.051 120.300 0.140 0.000 2.453 124 Y HA 0.643 5.199 4.550 0.010 0.000 0.247 124 Y C 0.655 176.681 175.900 0.211 0.000 1.124 124 Y CA 0.218 58.441 58.100 0.205 0.000 1.243 124 Y CB -0.057 38.496 38.460 0.156 0.000 1.213 124 Y HN 0.063 nan 8.280 nan 0.000 0.523 125 S N -0.740 114.738 115.700 -0.370 0.000 2.705 125 S HA 0.923 5.399 4.470 0.010 0.000 0.280 125 S C -0.154 174.314 174.600 -0.221 0.000 1.174 125 S CA -0.510 57.561 58.200 -0.215 0.000 0.823 125 S CB 1.681 64.734 63.200 -0.245 0.000 1.162 125 S HN 1.286 nan 8.310 nan 0.000 0.487 126 G N -0.782 107.854 108.800 -0.273 0.000 2.355 126 G HA2 0.574 4.540 3.960 0.010 0.000 0.619 126 G HA3 0.574 4.540 3.960 0.010 0.000 0.619 126 G C -0.815 173.462 174.900 -1.038 0.000 1.337 126 G CA -0.178 44.556 45.100 -0.610 0.000 0.993 126 G HN 2.297 nan 8.290 nan 0.000 0.599 127 A N -1.591 120.302 122.820 -1.546 0.000 2.580 127 A HA 0.914 5.240 4.320 0.010 0.000 0.301 127 A C 0.388 177.742 177.584 -0.384 0.000 1.054 127 A CA 0.789 52.330 52.037 -0.826 0.000 0.751 127 A CB 0.593 19.364 19.000 -0.381 0.000 1.275 127 A HN 2.594 nan 8.150 nan 0.000 0.403 128 A N 0.745 123.581 122.820 0.027 0.000 2.208 128 A HA 0.311 4.636 4.320 0.010 0.000 0.209 128 A C 1.676 179.301 177.584 0.069 0.000 1.161 128 A CA 1.676 53.911 52.037 0.331 0.000 0.782 128 A CB -0.529 18.747 19.000 0.459 0.000 0.816 128 A HN 1.872 nan 8.150 nan 0.000 0.477 129 S N -0.381 115.119 115.700 -0.333 0.000 2.593 129 S HA 0.283 4.759 4.470 0.010 0.000 0.217 129 S C 0.559 174.727 174.600 -0.720 0.000 0.966 129 S CA -0.413 57.116 58.200 -1.119 0.000 0.914 129 S CB -0.568 61.928 63.200 -1.174 0.000 0.776 129 S HN 0.403 nan 8.310 nan 0.000 0.523 130 L N 2.325 123.297 121.223 -0.418 0.000 2.506 130 L HA 0.092 4.438 4.340 0.010 0.000 0.281 130 L C 1.253 177.799 176.870 -0.540 0.000 1.228 130 L CA -0.337 54.192 54.840 -0.518 0.000 0.850 130 L CB 0.158 41.786 42.059 -0.717 0.000 1.110 130 L HN 0.075 nan 8.230 nan 0.000 0.496 131 D N 1.162 121.282 120.400 -0.466 0.000 2.158 131 D HA -0.152 4.494 4.640 0.010 0.000 0.197 131 D C 1.900 177.929 176.300 -0.452 0.000 0.995 131 D CA 1.379 55.162 54.000 -0.361 0.000 0.846 131 D CB 0.007 40.633 40.800 -0.291 0.000 0.941 131 D HN 0.528 nan 8.370 nan 0.000 0.456 132 V N -1.687 117.808 119.914 -0.697 0.000 3.510 132 V HA -0.088 4.038 4.120 0.010 0.000 0.270 132 V C 0.695 176.200 176.094 -0.982 0.000 1.201 132 V CA 0.835 62.686 62.300 -0.748 0.000 1.166 132 V CB -1.090 30.246 31.823 -0.811 0.000 0.825 132 V HN 0.062 nan 8.190 nan 0.000 0.484 133 Y N -0.013 119.756 120.300 -0.884 0.000 2.636 133 Y HA 0.459 5.015 4.550 0.009 0.000 0.260 133 Y C 0.807 176.125 175.900 -0.970 0.000 1.177 133 Y CA -1.993 55.243 58.100 -1.441 0.000 1.209 133 Y CB -0.517 37.455 38.460 -0.813 0.000 1.166 133 Y HN 0.253 nan 8.280 nan 0.000 0.531 134 D N 0.765 120.857 120.400 -0.513 0.000 2.382 134 D HA 0.058 4.704 4.640 0.010 0.000 0.259 134 D C 1.376 177.320 176.300 -0.595 0.000 1.224 134 D CA 0.473 54.212 54.000 -0.436 0.000 0.894 134 D CB 1.463 42.136 40.800 -0.211 0.000 1.127 134 D HN 0.465 nan 8.370 nan 0.000 0.487 135 G N 3.982 111.804 108.800 -1.630 0.000 2.920 135 G HA2 -0.172 3.794 3.960 0.010 0.000 0.208 135 G HA3 -0.172 3.794 3.960 0.010 0.000 0.208 135 G C 1.502 175.817 174.900 -0.975 0.000 1.159 135 G CA 0.310 44.693 45.100 -1.196 0.000 0.784 135 G HN 0.634 nan 8.290 nan 0.000 0.535 136 R N -0.500 119.299 120.500 -1.168 0.000 2.105 136 R HA -0.057 4.289 4.340 0.010 0.000 0.239 136 R C 1.743 177.739 176.300 -0.507 0.000 1.135 136 R CA 1.503 57.188 56.100 -0.691 0.000 0.967 136 R CB -0.716 29.208 30.300 -0.627 0.000 0.861 136 R HN 0.323 nan 8.270 nan 0.000 0.442 137 F N 1.314 121.161 119.950 -0.171 0.000 2.163 137 F HA 0.067 4.600 4.527 0.010 0.000 0.297 137 F C 2.280 178.017 175.800 -0.106 0.000 1.094 137 F CA 0.675 58.604 58.000 -0.117 0.000 1.290 137 F CB -0.548 38.375 39.000 -0.128 0.000 1.017 137 F HN -0.126 nan 8.300 nan 0.000 0.483 138 L N -0.132 121.109 121.223 0.030 0.000 2.046 138 L HA -0.191 4.154 4.340 0.010 0.000 0.208 138 L C 2.730 179.605 176.870 0.008 0.000 1.077 138 L CA 1.123 55.947 54.840 -0.027 0.000 0.747 138 L CB -0.910 41.082 42.059 -0.113 0.000 0.896 138 L HN 0.190 nan 8.230 nan 0.000 0.432 139 A N -0.875 121.957 122.820 0.019 0.000 1.858 139 A HA -0.252 4.074 4.320 0.010 0.000 0.216 139 A C 2.276 179.905 177.584 0.075 0.000 1.190 139 A CA 1.589 53.678 52.037 0.087 0.000 0.617 139 A CB -0.587 18.512 19.000 0.165 0.000 0.827 139 A HN 0.373 nan 8.150 nan 0.000 0.443 140 Q N -0.188 119.637 119.800 0.042 0.000 2.046 140 Q HA -0.093 4.253 4.340 0.010 0.000 0.200 140 Q C 2.149 178.181 176.000 0.053 0.000 0.975 140 Q CA 2.092 57.925 55.803 0.050 0.000 0.836 140 Q CB -0.259 28.491 28.738 0.021 0.000 0.896 140 Q HN 0.415 nan 8.270 nan 0.000 0.428 141 V N 0.726 120.671 119.914 0.051 0.000 2.500 141 V HA -0.061 4.065 4.120 0.010 0.000 0.243 141 V C 1.769 177.878 176.094 0.025 0.000 1.039 141 V CA 1.257 63.581 62.300 0.039 0.000 1.053 141 V CB -0.037 31.808 31.823 0.038 0.000 0.695 141 V HN 0.184 nan 8.190 nan 0.000 0.463 142 E N -0.088 120.124 120.200 0.021 0.000 2.472 142 E HA 0.186 4.542 4.350 0.010 0.000 0.196 142 E C 1.715 178.332 176.600 0.028 0.000 1.033 142 E CA 0.730 57.138 56.400 0.013 0.000 0.886 142 E CB 0.511 30.208 29.700 -0.005 0.000 0.944 142 E HN 0.581 nan 8.360 nan 0.000 0.492 143 G N 1.519 110.346 108.800 0.046 0.000 2.153 143 G HA2 -0.310 3.656 3.960 0.010 0.000 0.252 143 G HA3 -0.310 3.656 3.960 0.010 0.000 0.252 143 G C 0.513 175.457 174.900 0.074 0.000 0.994 143 G CA 0.380 45.518 45.100 0.063 0.000 0.698 143 G HN 0.483 nan 8.290 nan 0.000 0.521 144 A N -0.656 122.205 122.820 0.069 0.000 2.371 144 A HA 0.685 5.011 4.320 0.010 0.000 0.257 144 A C 0.576 178.241 177.584 0.135 0.000 1.089 144 A CA 0.173 52.258 52.037 0.081 0.000 0.794 144 A CB 1.064 20.092 19.000 0.046 0.000 1.029 144 A HN 1.137 nan 8.150 nan 0.000 0.488 145 V N 3.057 123.060 119.914 0.148 0.000 2.385 145 V HA 0.335 4.461 4.120 0.010 0.000 0.269 145 V C -0.041 176.191 176.094 0.230 0.000 1.043 145 V CA -0.025 62.393 62.300 0.197 0.000 0.906 145 V CB 0.622 32.553 31.823 0.180 0.000 0.995 145 V HN 0.715 nan 8.190 nan 0.000 0.467 146 L N 6.244 127.658 121.223 0.318 0.000 2.341 146 L HA 0.769 5.115 4.340 0.010 0.000 0.278 146 L C -0.852 176.305 176.870 0.478 0.000 1.005 146 L CA -0.245 54.839 54.840 0.407 0.000 0.818 146 L CB 1.891 44.200 42.059 0.416 0.000 1.259 146 L HN 0.438 nan 8.230 nan 0.000 0.418 147 V N 3.173 123.347 119.914 0.434 0.000 2.638 147 V HA 0.675 4.801 4.120 0.010 0.000 0.306 147 V C -0.637 175.690 176.094 0.389 0.000 1.052 147 V CA -0.429 62.074 62.300 0.337 0.000 0.885 147 V CB 2.103 34.054 31.823 0.213 0.000 0.999 147 V HN 0.842 nan 8.190 nan 0.000 0.424 148 S N 5.510 121.432 115.700 0.371 0.000 2.541 148 S HA 0.880 5.356 4.470 0.010 0.000 0.280 148 S C -0.829 173.910 174.600 0.232 0.000 1.112 148 S CA -0.816 57.612 58.200 0.380 0.000 0.925 148 S CB 2.223 65.789 63.200 0.610 0.000 1.067 148 S HN 0.853 nan 8.310 nan 0.000 0.479 149 M N 1.432 121.128 119.600 0.161 0.000 2.535 149 M HA 0.637 5.123 4.480 0.010 0.000 0.314 149 M C -1.613 174.892 176.300 0.342 0.000 1.153 149 M CA -0.567 54.810 55.300 0.129 0.000 0.924 149 M CB 1.142 33.630 32.600 -0.187 0.000 1.710 149 M HN 0.534 nan 8.290 nan 0.000 0.451 150 N N 2.866 121.836 118.700 0.450 0.000 2.529 150 N HA 0.532 5.278 4.740 0.010 0.000 0.278 150 N C -1.341 174.464 175.510 0.492 0.000 1.146 150 N CA 0.161 53.506 53.050 0.493 0.000 0.980 150 N CB 0.445 39.155 38.487 0.371 0.000 1.124 150 N HN 0.723 nan 8.380 nan 0.000 0.458 151 Y N -1.841 118.637 120.300 0.297 0.000 2.553 151 Y HA 0.555 5.111 4.550 0.010 0.000 0.347 151 Y C -0.106 175.936 175.900 0.237 0.000 1.019 151 Y CA -1.352 56.878 58.100 0.217 0.000 1.032 151 Y CB 0.917 39.433 38.460 0.093 0.000 1.284 151 Y HN 0.204 nan 8.280 nan 0.000 0.466 152 R N 2.031 122.670 120.500 0.232 0.000 2.489 152 R HA 0.456 4.802 4.340 0.010 0.000 0.287 152 R C -0.168 176.283 176.300 0.252 0.000 1.053 152 R CA -0.160 56.035 56.100 0.158 0.000 1.036 152 R CB 0.730 31.095 30.300 0.107 0.000 0.966 152 R HN 0.718 nan 8.270 nan 0.000 0.432 153 V N 0.486 120.578 119.914 0.297 0.000 3.234 153 V HA 0.859 4.985 4.120 0.010 0.000 0.317 153 V C 0.909 177.329 176.094 0.543 0.000 1.147 153 V CA -0.127 62.458 62.300 0.475 0.000 1.037 153 V CB 1.065 33.066 31.823 0.296 0.000 1.148 153 V HN 0.963 nan 8.190 nan 0.000 0.455 154 G N 1.623 110.772 108.800 0.582 0.000 2.574 154 G HA2 -0.313 3.653 3.960 0.010 0.000 0.282 154 G HA3 -0.313 3.653 3.960 0.010 0.000 0.282 154 G C 1.008 176.046 174.900 0.229 0.000 1.257 154 G CA 1.654 47.018 45.100 0.441 0.000 0.956 154 G HN 2.275 nan 8.290 nan 0.000 0.560 155 T N -1.622 112.781 114.554 -0.251 0.000 2.665 155 T HA -0.174 4.182 4.350 0.010 0.000 0.268 155 T C 2.140 176.665 174.700 -0.292 0.000 1.035 155 T CA 2.732 64.404 62.100 -0.714 0.000 1.151 155 T CB -0.521 67.782 68.868 -0.942 0.000 0.862 155 T HN 0.657 nan 8.240 nan 0.000 0.438 156 F N 2.176 122.166 119.950 0.067 0.000 2.307 156 F HA 0.212 4.745 4.527 0.009 0.000 0.301 156 F C 2.650 178.438 175.800 -0.020 0.000 1.076 156 F CA 0.694 58.695 58.000 0.002 0.000 1.383 156 F CB -0.817 38.159 39.000 -0.040 0.000 1.055 156 F HN 0.403 nan 8.300 nan 0.000 0.526 157 G N -2.306 106.564 108.800 0.116 0.000 2.762 157 G HA2 0.091 4.057 3.960 0.010 0.000 0.209 157 G HA3 0.091 4.057 3.960 0.010 0.000 0.209 157 G C 0.859 175.288 174.900 -0.785 0.000 1.134 157 G CA 0.177 45.098 45.100 -0.297 0.000 0.781 157 G HN 0.351 nan 8.290 nan 0.000 0.528 158 F N -0.743 119.272 119.950 0.108 0.000 2.975 158 F HA 0.412 4.945 4.527 0.010 0.000 0.366 158 F C 0.432 176.283 175.800 0.085 0.000 1.071 158 F CA -0.923 57.124 58.000 0.078 0.000 1.102 158 F CB 0.385 39.441 39.000 0.093 0.000 1.176 158 F HN -0.080 nan 8.300 nan 0.000 0.545 159 L N 2.232 123.480 121.223 0.041 0.000 2.513 159 L HA 0.548 4.894 4.340 0.010 0.000 0.272 159 L C -0.110 176.711 176.870 -0.082 0.000 1.187 159 L CA 0.022 54.789 54.840 -0.122 0.000 0.895 159 L CB 0.488 42.173 42.059 -0.624 0.000 1.147 159 L HN 0.116 nan 8.230 nan 0.000 0.483 160 A N 6.225 129.039 122.820 -0.011 0.000 2.427 160 A HA 0.626 4.952 4.320 0.010 0.000 0.298 160 A C -1.083 176.475 177.584 -0.043 0.000 1.036 160 A CA -0.578 51.445 52.037 -0.023 0.000 0.701 160 A CB 1.284 20.306 19.000 0.037 0.000 1.250 160 A HN 0.717 nan 8.150 nan 0.000 0.412 161 L N 3.479 124.663 121.223 -0.065 0.000 2.417 161 L HA 0.311 4.657 4.340 0.010 0.000 0.258 161 L C -2.367 174.489 176.870 -0.022 0.000 1.088 161 L CA -1.738 53.073 54.840 -0.048 0.000 0.975 161 L CB 1.179 43.197 42.059 -0.069 0.000 1.341 161 L HN 0.403 nan 8.230 nan 0.000 0.431 162 P HA 0.011 nan 4.420 nan 0.000 0.260 162 P C 0.983 178.284 177.300 0.000 0.000 1.172 162 P CA 0.952 64.053 63.100 0.001 0.000 0.760 162 P CB 0.773 32.474 31.700 0.003 0.000 0.773 163 G N 1.945 110.749 108.800 0.006 0.000 2.232 163 G HA2 -0.234 3.732 3.960 0.010 0.000 0.226 163 G HA3 -0.234 3.732 3.960 0.010 0.000 0.226 163 G C 0.487 175.390 174.900 0.005 0.000 0.996 163 G CA 0.205 45.309 45.100 0.006 0.000 0.626 163 G HN 0.800 nan 8.290 nan 0.000 0.509 164 S N -0.220 115.481 115.700 0.000 0.000 2.624 164 S HA 0.600 5.075 4.470 0.010 0.000 0.263 164 S C 1.263 175.869 174.600 0.010 0.000 1.287 164 S CA 0.597 58.797 58.200 -0.000 0.000 0.990 164 S CB 1.819 65.011 63.200 -0.013 0.000 0.950 164 S HN 0.491 nan 8.310 nan 0.000 0.561 165 R N -0.144 120.364 120.500 0.014 0.000 2.156 165 R HA 0.118 4.464 4.340 0.010 0.000 0.207 165 R C 1.090 177.410 176.300 0.032 0.000 1.040 165 R CA 0.839 56.953 56.100 0.023 0.000 1.013 165 R CB -0.150 30.163 30.300 0.021 0.000 0.931 165 R HN 0.804 nan 8.270 nan 0.000 0.465 166 E N -0.589 119.630 120.200 0.031 0.000 2.474 166 E HA 0.170 4.526 4.350 0.010 0.000 0.194 166 E C -0.410 176.235 176.600 0.076 0.000 1.041 166 E CA 0.341 56.775 56.400 0.055 0.000 0.874 166 E CB 1.489 31.220 29.700 0.052 0.000 0.914 166 E HN 0.243 nan 8.360 nan 0.000 0.498 167 A N 1.112 123.949 122.820 0.028 0.000 3.277 167 A HA 0.261 4.587 4.320 0.010 0.000 0.281 167 A C -2.280 175.301 177.584 -0.005 0.000 1.179 167 A CA -0.829 51.210 52.037 0.004 0.000 0.879 167 A CB 0.473 19.375 19.000 -0.164 0.000 1.374 167 A HN -0.081 nan 8.150 nan 0.000 0.590 168 P HA 0.189 nan 4.420 nan 0.000 0.231 168 P C 0.947 178.262 177.300 0.025 0.000 1.168 168 P CA 1.731 64.847 63.100 0.025 0.000 0.779 168 P CB 0.209 31.933 31.700 0.041 0.000 0.844 169 G N 0.802 109.613 108.800 0.018 0.000 2.746 169 G HA2 -0.195 3.771 3.960 0.010 0.000 0.685 169 G HA3 -0.195 3.771 3.960 0.010 0.000 0.685 169 G C -0.092 174.801 174.900 -0.011 0.000 1.350 169 G CA -0.282 44.830 45.100 0.020 0.000 0.837 169 G HN 0.139 nan 8.290 nan 0.000 0.564 170 N N -2.442 116.243 118.700 -0.024 0.000 2.713 170 N HA -0.278 4.468 4.740 0.010 0.000 0.251 170 N C 1.823 177.177 175.510 -0.261 0.000 1.117 170 N CA 2.406 55.378 53.050 -0.131 0.000 0.770 170 N CB -1.612 36.760 38.487 -0.193 0.000 1.137 170 N HN 1.921 nan 8.380 nan 0.000 0.566 171 V N -2.917 116.834 119.914 -0.273 0.000 2.809 171 V HA 0.080 4.206 4.120 0.010 0.000 0.256 171 V C 2.263 178.225 176.094 -0.220 0.000 1.080 171 V CA 2.128 64.325 62.300 -0.172 0.000 1.102 171 V CB -0.702 31.072 31.823 -0.081 0.000 0.705 171 V HN 0.256 nan 8.190 nan 0.000 0.475 172 G N 0.482 108.950 108.800 -0.554 0.000 2.432 172 G HA2 -0.120 3.845 3.960 0.010 0.000 0.219 172 G HA3 -0.120 3.845 3.960 0.010 0.000 0.219 172 G C 1.530 176.411 174.900 -0.030 0.000 1.135 172 G CA 1.108 46.032 45.100 -0.293 0.000 0.767 172 G HN 0.533 nan 8.290 nan 0.000 0.550 173 L N -0.179 120.953 121.223 -0.151 0.000 2.156 173 L HA 0.110 4.456 4.340 0.010 0.000 0.208 173 L C 2.800 179.696 176.870 0.043 0.000 1.095 173 L CA 0.300 55.015 54.840 -0.207 0.000 0.770 173 L CB -0.258 41.300 42.059 -0.834 0.000 0.914 173 L HN 0.186 nan 8.230 nan 0.000 0.439 174 L N -0.535 120.722 121.223 0.058 0.000 2.093 174 L HA -0.196 4.150 4.340 0.010 0.000 0.208 174 L C 2.180 179.172 176.870 0.204 0.000 1.085 174 L CA 0.871 55.837 54.840 0.210 0.000 0.755 174 L CB -0.607 41.550 42.059 0.164 0.000 0.904 174 L HN 0.282 nan 8.230 nan 0.000 0.435 175 D N 0.001 120.509 120.400 0.181 0.000 2.123 175 D HA -0.212 4.434 4.640 0.010 0.000 0.196 175 D C 2.258 178.716 176.300 0.263 0.000 0.992 175 D CA 1.210 55.395 54.000 0.309 0.000 0.833 175 D CB -0.183 40.821 40.800 0.340 0.000 0.954 175 D HN 0.408 nan 8.370 nan 0.000 0.455 176 Q N 0.137 120.022 119.800 0.141 0.000 2.020 176 Q HA -0.133 4.213 4.340 0.010 0.000 0.202 176 Q C 2.327 178.315 176.000 -0.019 0.000 0.982 176 Q CA 1.091 56.897 55.803 0.005 0.000 0.838 176 Q CB -0.103 28.636 28.738 0.001 0.000 0.899 176 Q HN 0.195 nan 8.270 nan 0.000 0.423 177 R N 0.620 121.205 120.500 0.143 0.000 2.105 177 R HA -0.192 4.153 4.340 0.010 0.000 0.239 177 R C 2.233 178.590 176.300 0.095 0.000 1.135 177 R CA 1.099 57.268 56.100 0.114 0.000 0.967 177 R CB -0.271 30.202 30.300 0.289 0.000 0.861 177 R HN 0.222 nan 8.270 nan 0.000 0.442 178 L N 0.777 122.091 121.223 0.152 0.000 2.042 178 L HA -0.093 4.253 4.340 0.010 0.000 0.210 178 L C 2.260 179.200 176.870 0.117 0.000 1.076 178 L CA 2.216 57.174 54.840 0.198 0.000 0.749 178 L CB -0.715 41.547 42.059 0.339 0.000 0.893 178 L HN 0.268 nan 8.230 nan 0.000 0.432 179 A N -0.799 121.922 122.820 -0.165 0.000 1.969 179 A HA -0.095 4.230 4.320 0.010 0.000 0.218 179 A C 2.206 179.747 177.584 -0.072 0.000 1.169 179 A CA 1.554 53.344 52.037 -0.412 0.000 0.635 179 A CB -0.734 17.713 19.000 -0.921 0.000 0.810 179 A HN 0.505 nan 8.150 nan 0.000 0.445 180 L N -0.952 120.235 121.223 -0.060 0.000 2.083 180 L HA -0.256 4.090 4.340 0.010 0.000 0.209 180 L C 2.784 179.706 176.870 0.087 0.000 1.083 180 L CA 1.605 56.448 54.840 0.005 0.000 0.752 180 L CB -0.814 41.207 42.059 -0.063 0.000 0.899 180 L HN 0.496 nan 8.230 nan 0.000 0.433 181 Q N -1.009 118.853 119.800 0.105 0.000 2.119 181 Q HA -0.247 4.099 4.340 0.010 0.000 0.201 181 Q C 2.067 178.169 176.000 0.169 0.000 0.972 181 Q CA 1.875 57.752 55.803 0.123 0.000 0.847 181 Q CB -0.247 28.566 28.738 0.126 0.000 0.903 181 Q HN 0.551 nan 8.270 nan 0.000 0.433 182 W N 0.317 121.637 121.300 0.034 0.000 2.363 182 W HA -0.193 4.472 4.660 0.009 0.000 0.296 182 W C 1.752 178.303 176.519 0.054 0.000 1.212 182 W CA 1.103 58.485 57.345 0.061 0.000 1.260 182 W CB 0.052 29.555 29.460 0.073 0.000 1.131 182 W HN -0.149 nan 8.180 nan 0.000 0.530 183 V N 0.845 120.977 119.914 0.363 0.000 2.358 183 V HA -0.326 3.799 4.120 0.010 0.000 0.246 183 V C 2.538 178.666 176.094 0.058 0.000 1.047 183 V CA 1.968 64.417 62.300 0.249 0.000 1.035 183 V CB -0.969 31.002 31.823 0.248 0.000 0.658 183 V HN 0.185 nan 8.190 nan 0.000 0.452 184 Q N -0.115 119.720 119.800 0.058 0.000 2.096 184 Q HA -0.277 4.068 4.340 0.010 0.000 0.204 184 Q C 2.251 178.228 176.000 -0.038 0.000 0.982 184 Q CA 2.231 58.050 55.803 0.027 0.000 0.850 184 Q CB -0.255 28.505 28.738 0.036 0.000 0.901 184 Q HN 0.827 nan 8.270 nan 0.000 0.422 185 E N -0.126 120.015 120.200 -0.097 0.000 2.112 185 E HA -0.081 4.275 4.350 0.010 0.000 0.190 185 E C 1.250 177.707 176.600 -0.237 0.000 0.979 185 E CA 0.837 57.147 56.400 -0.150 0.000 0.814 185 E CB 0.287 29.893 29.700 -0.155 0.000 0.762 185 E HN 0.276 nan 8.360 nan 0.000 0.460 186 N N -0.156 118.307 118.700 -0.395 0.000 2.273 186 N HA -0.003 4.743 4.740 0.010 0.000 0.192 186 N C 1.518 176.897 175.510 -0.218 0.000 1.132 186 N CA 0.064 52.818 53.050 -0.492 0.000 0.887 186 N CB 0.287 38.086 38.487 -1.147 0.000 1.048 186 N HN 0.132 nan 8.380 nan 0.000 0.490 187 I N 2.524 123.033 120.570 -0.102 0.000 2.335 187 I HA -0.175 4.001 4.170 0.010 0.000 0.251 187 I C 2.173 178.396 176.117 0.177 0.000 1.129 187 I CA 0.679 62.063 61.300 0.140 0.000 1.402 187 I CB -0.273 37.804 38.000 0.128 0.000 1.069 187 I HN 0.069 nan 8.210 nan 0.000 0.424 188 A N 0.255 123.101 122.820 0.044 0.000 1.972 188 A HA -0.135 4.191 4.320 0.010 0.000 0.219 188 A C 2.508 180.077 177.584 -0.025 0.000 1.169 188 A CA 1.579 53.626 52.037 0.017 0.000 0.635 188 A CB -1.171 17.816 19.000 -0.022 0.000 0.810 188 A HN 0.491 nan 8.150 nan 0.000 0.446 189 A N -1.399 121.353 122.820 -0.113 0.000 2.042 189 A HA -0.084 4.241 4.320 0.010 0.000 0.222 189 A C 1.580 178.919 177.584 -0.409 0.000 1.167 189 A CA 1.622 53.465 52.037 -0.324 0.000 0.649 189 A CB -0.692 17.978 19.000 -0.549 0.000 0.809 189 A HN 0.550 nan 8.150 nan 0.000 0.457 190 F N -1.934 117.977 119.950 -0.065 0.000 2.678 190 F HA 0.408 4.941 4.527 0.010 0.000 0.305 190 F C 1.742 177.560 175.800 0.031 0.000 1.090 190 F CA 0.526 58.514 58.000 -0.019 0.000 1.272 190 F CB 0.466 39.472 39.000 0.011 0.000 1.060 190 F HN 0.331 nan 8.300 nan 0.000 0.576 191 G N 0.284 109.173 108.800 0.149 0.000 2.175 191 G HA2 -0.178 3.788 3.960 0.010 0.000 0.244 191 G HA3 -0.178 3.788 3.960 0.010 0.000 0.244 191 G C 0.624 175.594 174.900 0.117 0.000 0.982 191 G CA -0.297 44.868 45.100 0.109 0.000 0.641 191 G HN 0.700 nan 8.290 nan 0.000 0.527 192 G N -0.356 108.536 108.800 0.152 0.000 2.444 192 G HA2 0.475 4.441 3.960 0.010 0.000 0.268 192 G HA3 0.475 4.441 3.960 0.010 0.000 0.268 192 G C -0.727 174.225 174.900 0.087 0.000 1.203 192 G CA 0.347 45.525 45.100 0.129 0.000 0.835 192 G HN 0.238 nan 8.290 nan 0.000 0.543 193 D N 1.723 122.164 120.400 0.070 0.000 2.412 193 D HA 0.283 4.929 4.640 0.010 0.000 0.224 193 D C -1.250 175.083 176.300 0.055 0.000 1.093 193 D CA -2.443 51.580 54.000 0.039 0.000 0.850 193 D CB 1.908 42.714 40.800 0.010 0.000 1.046 193 D HN 0.054 nan 8.370 nan 0.000 0.507 194 P HA -0.063 nan 4.420 nan 0.000 0.231 194 P C 1.025 178.418 177.300 0.155 0.000 1.158 194 P CA 0.685 63.847 63.100 0.103 0.000 0.763 194 P CB 0.115 31.856 31.700 0.068 0.000 0.805 195 M N -1.703 117.911 119.600 0.022 0.000 2.431 195 M HA 0.121 4.607 4.480 0.010 0.000 0.237 195 M C 0.629 176.576 176.300 -0.589 0.000 1.130 195 M CA 0.382 55.568 55.300 -0.190 0.000 1.002 195 M CB 0.309 32.815 32.600 -0.157 0.000 1.524 195 M HN -0.209 nan 8.290 nan 0.000 0.482 196 S N 1.155 116.737 115.700 -0.197 0.000 2.216 196 S HA 0.395 4.871 4.470 0.010 0.000 0.156 196 S C -0.909 173.768 174.600 0.128 0.000 1.665 196 S CA -0.427 57.701 58.200 -0.119 0.000 1.262 196 S CB 0.451 63.594 63.200 -0.095 0.000 1.207 196 S HN 0.021 nan 8.310 nan 0.000 0.427 197 V N 3.598 123.755 119.914 0.404 0.000 2.334 197 V HA 0.481 4.607 4.120 0.010 0.000 0.281 197 V C 0.142 176.431 176.094 0.324 0.000 1.016 197 V CA -0.406 62.092 62.300 0.330 0.000 0.832 197 V CB 1.602 33.608 31.823 0.305 0.000 0.999 197 V HN 0.636 nan 8.190 nan 0.000 0.439 198 T N 6.816 121.513 114.554 0.238 0.000 2.758 198 T HA 0.562 4.918 4.350 0.010 0.000 0.285 198 T C -0.098 174.755 174.700 0.255 0.000 0.981 198 T CA -0.300 61.943 62.100 0.238 0.000 0.965 198 T CB 0.736 69.701 68.868 0.162 0.000 0.927 198 T HN 0.340 nan 8.240 nan 0.000 0.448 199 L N 5.066 126.399 121.223 0.182 0.000 2.349 199 L HA 0.627 4.973 4.340 0.010 0.000 0.275 199 L C -0.340 176.721 176.870 0.319 0.000 1.115 199 L CA -0.689 54.215 54.840 0.106 0.000 0.820 199 L CB 0.221 42.121 42.059 -0.266 0.000 1.135 199 L HN 0.637 nan 8.230 nan 0.000 0.445 200 F N 0.676 120.682 119.950 0.093 0.000 2.601 200 F HA 0.942 5.475 4.527 0.009 0.000 0.309 200 F C -0.342 175.473 175.800 0.024 0.000 1.089 200 F CA -1.144 56.963 58.000 0.177 0.000 0.940 200 F CB 1.623 40.860 39.000 0.395 0.000 1.273 200 F HN 0.470 nan 8.300 nan 0.000 0.450 201 G N 1.507 110.210 108.800 -0.162 0.000 2.576 201 G HA2 0.503 4.469 3.960 0.010 0.000 0.290 201 G HA3 0.503 4.469 3.960 0.010 0.000 0.290 201 G C -2.457 172.259 174.900 -0.307 0.000 1.442 201 G CA -0.728 43.897 45.100 -0.792 0.000 0.792 201 G HN 0.878 nan 8.290 nan 0.000 0.491 205 G N 0.628 109.200 108.800 -0.380 0.000 2.414 205 G HA2 0.136 4.102 3.960 0.010 0.000 0.215 205 G HA3 0.136 4.102 3.960 0.010 0.000 0.215 205 G C 1.723 176.435 174.900 -0.313 0.000 1.188 205 G CA 1.791 46.616 45.100 -0.459 0.000 0.783 205 G HN 1.228 nan 8.290 nan 0.000 0.537 206 A N 1.298 124.010 122.820 -0.181 0.000 1.883 206 A HA 0.155 4.481 4.320 0.010 0.000 0.217 206 A C 2.828 180.387 177.584 -0.043 0.000 1.186 206 A CA 2.602 54.601 52.037 -0.063 0.000 0.624 206 A CB -0.923 18.102 19.000 0.042 0.000 0.822 206 A HN 0.878 nan 8.150 nan 0.000 0.444 207 A N -0.854 121.970 122.820 0.005 0.000 1.933 207 A HA -0.049 4.276 4.320 0.010 0.000 0.218 207 A C 2.433 180.005 177.584 -0.020 0.000 1.175 207 A CA 2.013 54.046 52.037 -0.007 0.000 0.628 207 A CB -0.835 18.180 19.000 0.025 0.000 0.814 207 A HN 0.456 nan 8.150 nan 0.000 0.444 208 S N -0.461 115.214 115.700 -0.041 0.000 2.359 208 S HA -0.150 4.326 4.470 0.010 0.000 0.224 208 S C 1.913 176.438 174.600 -0.125 0.000 1.035 208 S CA 1.450 59.582 58.200 -0.114 0.000 1.018 208 S CB -0.509 62.555 63.200 -0.227 0.000 0.876 208 S HN 0.350 nan 8.310 nan 0.000 0.448 209 V N 1.560 121.416 119.914 -0.096 0.000 2.287 209 V HA -0.201 3.925 4.120 0.010 0.000 0.248 209 V C 2.584 178.649 176.094 -0.048 0.000 1.053 209 V CA 2.064 64.317 62.300 -0.078 0.000 1.027 209 V CB -1.429 30.330 31.823 -0.106 0.000 0.646 209 V HN 0.608 nan 8.190 nan 0.000 0.447 210 G N -1.157 107.615 108.800 -0.047 0.000 2.422 210 G HA2 -0.258 3.708 3.960 0.010 0.000 0.218 210 G HA3 -0.258 3.708 3.960 0.010 0.000 0.218 210 G C 1.595 176.498 174.900 0.004 0.000 1.146 210 G CA 0.951 46.034 45.100 -0.029 0.000 0.769 210 G HN 0.455 nan 8.290 nan 0.000 0.547 211 M N -0.116 119.463 119.600 -0.035 0.000 2.296 211 M HA 0.027 4.513 4.480 0.010 0.000 0.265 211 M C 2.235 178.588 176.300 0.088 0.000 1.064 211 M CA 0.745 56.052 55.300 0.012 0.000 1.109 211 M CB -0.203 32.367 32.600 -0.050 0.000 1.396 211 M HN 0.202 nan 8.290 nan 0.000 0.430 212 H N 0.052 119.218 119.070 0.160 0.000 2.428 212 H HA 0.013 4.575 4.556 0.009 0.000 0.296 212 H C 2.117 177.647 175.328 0.336 0.000 1.062 212 H CA 1.332 57.496 56.048 0.193 0.000 1.350 212 H CB -0.247 29.499 29.762 -0.027 0.000 1.403 212 H HN 0.411 nan 8.280 nan 0.000 0.533 213 I N 0.723 121.546 120.570 0.422 0.000 2.208 213 I HA -0.258 3.918 4.170 0.010 0.000 0.245 213 I C 1.918 178.210 176.117 0.291 0.000 1.097 213 I CA 1.201 62.759 61.300 0.430 0.000 1.363 213 I CB -0.175 37.972 38.000 0.246 0.000 1.051 213 I HN 0.122 nan 8.210 nan 0.000 0.413 214 L N -0.678 120.670 121.223 0.208 0.000 2.591 214 L HA 0.076 4.422 4.340 0.010 0.000 0.228 214 L C 0.984 177.913 176.870 0.098 0.000 1.133 214 L CA 0.043 54.988 54.840 0.176 0.000 0.880 214 L CB -0.049 42.091 42.059 0.135 0.000 1.033 214 L HN 0.046 nan 8.230 nan 0.000 0.450 215 S N -0.189 115.545 115.700 0.057 0.000 2.474 215 S HA 0.235 4.711 4.470 0.010 0.000 0.321 215 S C 0.641 175.183 174.600 -0.096 0.000 1.080 215 S CA -0.643 57.480 58.200 -0.128 0.000 1.106 215 S CB 1.368 64.257 63.200 -0.517 0.000 0.984 215 S HN 0.134 nan 8.310 nan 0.000 0.464 216 L N 7.462 128.631 121.223 -0.091 0.000 2.013 216 L HA 0.107 4.453 4.340 0.010 0.000 0.212 216 L C -1.117 175.711 176.870 -0.070 0.000 1.073 216 L CA 2.183 56.984 54.840 -0.064 0.000 0.753 216 L CB -1.174 40.848 42.059 -0.061 0.000 0.890 216 L HN 0.499 nan 8.230 nan 0.000 0.432 217 P HA -0.050 nan 4.420 nan 0.000 0.231 217 P C 1.315 178.601 177.300 -0.023 0.000 1.158 217 P CA 1.145 64.203 63.100 -0.069 0.000 0.763 217 P CB 0.020 31.668 31.700 -0.088 0.000 0.805 218 S N -1.216 114.493 115.700 0.015 0.000 2.503 218 S HA 0.085 4.560 4.470 0.010 0.000 0.215 218 S C 1.788 176.489 174.600 0.168 0.000 1.003 218 S CA 0.018 58.319 58.200 0.169 0.000 0.910 218 S CB -0.189 63.249 63.200 0.397 0.000 0.790 218 S HN 0.039 nan 8.310 nan 0.000 0.514 219 R N 2.252 122.753 120.500 0.003 0.000 2.120 219 R HA -0.001 4.345 4.340 0.010 0.000 0.234 219 R C 2.286 178.338 176.300 -0.412 0.000 1.123 219 R CA 1.466 57.413 56.100 -0.255 0.000 0.975 219 R CB -1.117 29.092 30.300 -0.151 0.000 0.866 219 R HN 0.559 nan 8.270 nan 0.000 0.446 220 S N -0.229 115.342 115.700 -0.215 0.000 2.603 220 S HA 0.077 4.552 4.470 0.010 0.000 0.220 220 S C 1.706 176.191 174.600 -0.193 0.000 0.967 220 S CA 0.212 58.294 58.200 -0.196 0.000 0.920 220 S CB -0.140 63.003 63.200 -0.095 0.000 0.773 220 S HN 0.220 nan 8.310 nan 0.000 0.529 221 L N 0.339 121.476 121.223 -0.143 0.000 2.607 221 L HA 0.459 4.805 4.340 0.010 0.000 0.228 221 L C 0.113 176.994 176.870 0.019 0.000 1.123 221 L CA -0.237 54.596 54.840 -0.012 0.000 0.890 221 L CB -0.146 41.965 42.059 0.088 0.000 1.103 221 L HN 0.521 nan 8.230 nan 0.000 0.468 222 F N -4.134 115.618 119.950 -0.329 0.000 2.711 222 F HA 0.448 4.980 4.527 0.009 0.000 0.313 222 F C 0.261 175.718 175.800 -0.572 0.000 1.141 222 F CA -1.063 56.715 58.000 -0.369 0.000 0.941 222 F CB 0.927 39.861 39.000 -0.111 0.000 1.349 222 F HN -0.147 nan 8.300 nan 0.000 0.464 223 H N -1.129 118.006 119.070 0.109 0.000 3.091 223 H HA 0.519 5.080 4.556 0.009 0.000 0.249 223 H C -0.201 175.174 175.328 0.079 0.000 0.985 223 H CA -0.142 55.898 56.048 -0.013 0.000 1.177 223 H CB 0.711 30.463 29.762 -0.017 0.000 1.456 223 H HN 0.398 nan 8.280 nan 0.000 0.467 224 R N 0.118 120.820 120.500 0.337 0.000 2.774 224 R HA 0.787 5.133 4.340 0.010 0.000 0.272 224 R C -1.600 174.955 176.300 0.425 0.000 1.000 224 R CA -0.879 55.392 56.100 0.285 0.000 0.906 224 R CB 2.575 32.861 30.300 -0.024 0.000 1.227 224 R HN 0.152 nan 8.270 nan 0.000 0.468 225 A N 1.346 124.433 122.820 0.446 0.000 2.427 225 A HA 0.602 4.928 4.320 0.010 0.000 0.298 225 A C -1.326 176.396 177.584 0.230 0.000 1.036 225 A CA -0.595 51.622 52.037 0.300 0.000 0.701 225 A CB 1.653 20.782 19.000 0.215 0.000 1.250 225 A HN 0.313 nan 8.150 nan 0.000 0.412 226 V N 2.665 122.683 119.914 0.173 0.000 2.417 226 V HA 0.527 4.652 4.120 0.010 0.000 0.291 226 V C -0.869 175.309 176.094 0.141 0.000 1.024 226 V CA -0.374 61.961 62.300 0.059 0.000 0.861 226 V CB 1.138 32.998 31.823 0.062 0.000 0.985 226 V HN 0.687 nan 8.190 nan 0.000 0.436 227 L N 5.232 126.511 121.223 0.094 0.000 2.318 227 L HA 0.502 4.847 4.340 0.010 0.000 0.277 227 L C -0.029 176.940 176.870 0.165 0.000 1.008 227 L CA 0.049 54.946 54.840 0.094 0.000 0.846 227 L CB 1.544 43.614 42.059 0.018 0.000 1.220 227 L HN 0.630 nan 8.230 nan 0.000 0.423 228 Q N 2.067 122.009 119.800 0.236 0.000 2.368 228 Q HA 0.447 4.792 4.340 0.010 0.000 0.256 228 Q C 0.051 176.162 176.000 0.185 0.000 0.980 228 Q CA -0.517 55.474 55.803 0.314 0.000 0.887 228 Q CB 1.276 30.288 28.738 0.457 0.000 1.221 228 Q HN 0.625 nan 8.270 nan 0.000 0.458 229 S N 1.132 116.926 115.700 0.156 0.000 3.628 229 S HA -0.149 4.327 4.470 0.010 0.000 0.373 229 S C 0.016 174.788 174.600 0.287 0.000 0.968 229 S CA 0.490 58.806 58.200 0.193 0.000 1.215 229 S CB -1.232 62.062 63.200 0.157 0.000 0.912 229 S HN 1.004 nan 8.310 nan 0.000 0.495 230 G N -0.222 108.713 108.800 0.224 0.000 2.473 230 G HA2 0.606 4.572 3.960 0.010 0.000 0.298 230 G HA3 0.606 4.572 3.960 0.010 0.000 0.298 230 G C -0.916 174.059 174.900 0.125 0.000 1.575 230 G CA 0.137 45.426 45.100 0.315 0.000 0.846 230 G HN 0.977 nan 8.290 nan 0.000 0.585 231 T N -0.692 113.886 114.554 0.040 0.000 2.894 231 T HA 0.750 5.106 4.350 0.010 0.000 0.309 231 T C -2.215 172.351 174.700 -0.224 0.000 1.208 231 T CA -1.423 60.618 62.100 -0.098 0.000 1.016 231 T CB 3.143 71.940 68.868 -0.119 0.000 1.192 231 T HN 0.283 nan 8.240 nan 0.000 0.491 232 P HA -0.040 nan 4.420 nan 0.000 0.220 232 P C 0.263 177.409 177.300 -0.257 0.000 1.152 232 P CA 0.738 63.716 63.100 -0.204 0.000 0.812 232 P CB -0.203 31.428 31.700 -0.115 0.000 0.792 233 N N -0.546 118.022 118.700 -0.219 0.000 2.379 233 N HA 0.423 5.169 4.740 0.010 0.000 0.260 233 N C 0.492 175.811 175.510 -0.317 0.000 1.254 233 N CA -0.022 52.898 53.050 -0.216 0.000 0.958 233 N CB 0.317 38.721 38.487 -0.138 0.000 1.208 233 N HN 0.192 nan 8.380 nan 0.000 0.532 234 G N -1.300 107.329 108.800 -0.284 0.000 2.541 234 G HA2 -0.089 3.877 3.960 0.010 0.000 0.686 234 G HA3 -0.089 3.877 3.960 0.010 0.000 0.686 234 G C -2.367 172.305 174.900 -0.381 0.000 1.286 234 G CA -0.397 44.487 45.100 -0.359 0.000 0.894 234 G HN 0.578 nan 8.290 nan 0.000 0.575 235 P HA 0.157 nan 4.420 nan 0.000 0.251 235 P C 1.335 178.568 177.300 -0.112 0.000 1.223 235 P CA 1.644 64.613 63.100 -0.219 0.000 0.796 235 P CB -0.044 31.500 31.700 -0.261 0.000 1.068 236 W N -1.670 119.546 121.300 -0.140 0.000 2.873 236 W HA 0.542 5.207 4.660 0.008 0.000 0.282 236 W C 0.992 177.580 176.519 0.115 0.000 1.118 236 W CA 0.471 57.808 57.345 -0.013 0.000 1.480 236 W CB -0.727 28.772 29.460 0.066 0.000 0.954 236 W HN -0.170 nan 8.180 nan 0.000 0.591 237 A N 1.985 124.423 122.820 -0.637 0.000 2.123 237 A HA 0.161 4.487 4.320 0.010 0.000 0.214 237 A C 1.058 178.470 177.584 -0.287 0.000 1.152 237 A CA 1.721 53.447 52.037 -0.518 0.000 0.728 237 A CB -0.776 17.652 19.000 -0.953 0.000 0.814 237 A HN 0.235 nan 8.150 nan 0.000 0.464 238 T N -2.978 111.432 114.554 -0.240 0.000 2.883 238 T HA 0.617 4.973 4.350 0.010 0.000 0.296 238 T C -0.640 173.983 174.700 -0.129 0.000 1.117 238 T CA -0.135 61.845 62.100 -0.200 0.000 1.006 238 T CB 1.465 70.225 68.868 -0.179 0.000 1.191 238 T HN 0.822 nan 8.240 nan 0.000 0.508 239 V N -1.190 118.659 119.914 -0.108 0.000 3.001 239 V HA 0.894 5.019 4.120 0.010 0.000 0.314 239 V C 0.347 176.405 176.094 -0.060 0.000 1.099 239 V CA -0.924 61.330 62.300 -0.077 0.000 0.989 239 V CB 1.365 33.145 31.823 -0.072 0.000 1.040 239 V HN 1.362 nan 8.190 nan 0.000 0.434 240 S N 2.000 117.671 115.700 -0.049 0.000 2.573 240 S HA 0.466 4.942 4.470 0.010 0.000 0.277 240 S C 1.489 176.073 174.600 -0.027 0.000 1.346 240 S CA 0.156 58.335 58.200 -0.035 0.000 1.034 240 S CB 1.087 64.267 63.200 -0.032 0.000 0.879 240 S HN 2.022 nan 8.310 nan 0.000 0.528 241 A N 3.208 126.018 122.820 -0.018 0.000 1.927 241 A HA -0.002 4.324 4.320 0.010 0.000 0.220 241 A C 2.242 179.818 177.584 -0.013 0.000 1.185 241 A CA 2.121 54.152 52.037 -0.010 0.000 0.639 241 A CB -1.909 17.088 19.000 -0.005 0.000 0.820 241 A HN 1.219 nan 8.150 nan 0.000 0.451 242 G N -0.627 108.162 108.800 -0.017 0.000 2.421 242 G HA2 -0.248 3.718 3.960 0.010 0.000 0.216 242 G HA3 -0.248 3.718 3.960 0.010 0.000 0.216 242 G C 1.461 176.347 174.900 -0.023 0.000 1.171 242 G CA 1.390 46.479 45.100 -0.018 0.000 0.775 242 G HN 0.585 nan 8.290 nan 0.000 0.543 243 E N 1.141 121.323 120.200 -0.030 0.000 2.077 243 E HA -0.010 4.346 4.350 0.010 0.000 0.193 243 E C 2.656 179.228 176.600 -0.046 0.000 0.989 243 E CA 1.584 57.959 56.400 -0.041 0.000 0.800 243 E CB -0.653 29.018 29.700 -0.049 0.000 0.746 243 E HN 0.288 nan 8.360 nan 0.000 0.452 244 A N 0.699 123.500 122.820 -0.033 0.000 1.933 244 A HA -0.187 4.139 4.320 0.010 0.000 0.218 244 A C 2.296 179.886 177.584 0.009 0.000 1.175 244 A CA 1.764 53.796 52.037 -0.008 0.000 0.628 244 A CB -0.620 18.390 19.000 0.017 0.000 0.814 244 A HN 0.276 nan 8.150 nan 0.000 0.444 245 R N -0.644 119.854 120.500 -0.004 0.000 2.073 245 R HA -0.129 4.217 4.340 0.010 0.000 0.234 245 R C 2.480 178.775 176.300 -0.007 0.000 1.134 245 R CA 1.577 57.672 56.100 -0.007 0.000 0.952 245 R CB -0.307 29.986 30.300 -0.013 0.000 0.850 245 R HN 0.517 nan 8.270 nan 0.000 0.433 246 R N 0.369 120.859 120.500 -0.016 0.000 2.097 246 R HA -0.156 4.190 4.340 0.010 0.000 0.236 246 R C 2.292 178.583 176.300 -0.016 0.000 1.135 246 R CA 2.096 58.185 56.100 -0.019 0.000 0.934 246 R CB -0.154 30.129 30.300 -0.028 0.000 0.846 246 R HN 0.289 nan 8.270 nan 0.000 0.431 247 R N -0.378 120.100 120.500 -0.037 0.000 2.120 247 R HA -0.080 4.266 4.340 0.010 0.000 0.234 247 R C 2.262 178.619 176.300 0.095 0.000 1.123 247 R CA 1.202 57.267 56.100 -0.059 0.000 0.975 247 R CB -0.288 29.852 30.300 -0.267 0.000 0.866 247 R HN 0.257 nan 8.270 nan 0.000 0.446 248 A N 0.772 123.674 122.820 0.137 0.000 1.898 248 A HA -0.114 4.212 4.320 0.010 0.000 0.216 248 A C 2.185 179.785 177.584 0.026 0.000 1.181 248 A CA 1.721 53.838 52.037 0.132 0.000 0.620 248 A CB -0.708 18.309 19.000 0.028 0.000 0.819 248 A HN 0.247 nan 8.150 nan 0.000 0.442 249 T N 0.338 114.895 114.554 0.005 0.000 2.708 249 T HA -0.149 4.207 4.350 0.010 0.000 0.266 249 T C 1.842 176.541 174.700 -0.001 0.000 1.037 249 T CA 1.526 63.618 62.100 -0.013 0.000 1.146 249 T CB -0.423 68.436 68.868 -0.014 0.000 0.865 249 T HN 0.281 nan 8.240 nan 0.000 0.435 250 L N 1.153 122.385 121.223 0.016 0.000 2.017 250 L HA 0.072 4.417 4.340 0.010 0.000 0.208 250 L C 2.244 179.137 176.870 0.038 0.000 1.073 250 L CA 1.472 56.325 54.840 0.023 0.000 0.745 250 L CB -1.092 40.983 42.059 0.026 0.000 0.894 250 L HN 0.229 nan 8.230 nan 0.000 0.432 251 L N -0.457 120.816 121.223 0.083 0.000 2.042 251 L HA -0.155 4.191 4.340 0.010 0.000 0.210 251 L C 2.484 179.353 176.870 -0.002 0.000 1.076 251 L CA 1.897 56.796 54.840 0.097 0.000 0.749 251 L CB -0.673 41.513 42.059 0.211 0.000 0.893 251 L HN 0.317 nan 8.230 nan 0.000 0.432 252 A N -0.249 122.557 122.820 -0.024 0.000 1.865 252 A HA -0.251 4.074 4.320 0.010 0.000 0.217 252 A C 2.371 179.924 177.584 -0.051 0.000 1.191 252 A CA 1.938 53.945 52.037 -0.051 0.000 0.623 252 A CB -0.668 18.297 19.000 -0.058 0.000 0.826 252 A HN 0.478 nan 8.150 nan 0.000 0.444 253 R N -0.661 119.816 120.500 -0.038 0.000 2.115 253 R HA -0.193 4.153 4.340 0.010 0.000 0.239 253 R C 2.119 178.376 176.300 -0.071 0.000 1.133 253 R CA 1.901 57.977 56.100 -0.040 0.000 0.935 253 R CB -0.811 29.474 30.300 -0.024 0.000 0.853 253 R HN 0.560 nan 8.270 nan 0.000 0.433 254 L N 0.610 121.778 121.223 -0.092 0.000 2.129 254 L HA -0.168 4.178 4.340 0.010 0.000 0.212 254 L C 2.262 178.911 176.870 -0.369 0.000 1.087 254 L CA 1.113 55.834 54.840 -0.200 0.000 0.757 254 L CB -0.419 41.541 42.059 -0.165 0.000 0.896 254 L HN 0.225 nan 8.230 nan 0.000 0.434 255 V N -4.417 115.340 119.914 -0.263 0.000 3.660 255 V HA 0.499 4.625 4.120 0.010 0.000 0.276 255 V C 1.115 177.159 176.094 -0.083 0.000 1.317 255 V CA 0.369 62.549 62.300 -0.200 0.000 1.097 255 V CB 0.149 31.908 31.823 -0.107 0.000 0.863 255 V HN 0.432 nan 8.190 nan 0.000 0.438 256 G N -0.724 108.033 108.800 -0.071 0.000 2.186 256 G HA2 -0.121 3.845 3.960 0.010 0.000 0.130 256 G HA3 -0.121 3.845 3.960 0.010 0.000 0.130 256 G C -0.223 174.662 174.900 -0.025 0.000 1.031 256 G CA -0.182 44.897 45.100 -0.036 0.000 0.697 256 G HN 0.719 nan 8.290 nan 0.000 0.494 266 D N 0.663 121.053 120.400 -0.017 0.000 2.213 266 D HA 0.064 4.710 4.640 0.010 0.000 0.205 266 D C 1.321 177.607 176.300 -0.022 0.000 0.961 266 D CA 1.226 55.209 54.000 -0.027 0.000 0.853 266 D CB -0.335 40.446 40.800 -0.032 0.000 0.967 266 D HN 0.424 nan 8.370 nan 0.000 0.496 267 T N 1.327 115.876 114.554 -0.009 0.000 2.624 267 T HA -0.238 4.118 4.350 0.010 0.000 0.268 267 T C 1.797 176.498 174.700 0.002 0.000 1.041 267 T CA 1.561 63.661 62.100 0.001 0.000 1.159 267 T CB -0.273 68.598 68.868 0.005 0.000 0.863 267 T HN 0.263 nan 8.240 nan 0.000 0.434 268 E N 0.250 120.449 120.200 -0.002 0.000 2.077 268 E HA -0.106 4.250 4.350 0.010 0.000 0.193 268 E C 2.221 178.818 176.600 -0.005 0.000 0.989 268 E CA 0.839 57.239 56.400 -0.001 0.000 0.800 268 E CB -0.201 29.497 29.700 -0.003 0.000 0.746 268 E HN 0.404 nan 8.360 nan 0.000 0.452 269 L N 0.510 121.722 121.223 -0.018 0.000 1.994 269 L HA -0.191 4.154 4.340 0.010 0.000 0.208 269 L C 2.281 179.129 176.870 -0.037 0.000 1.071 269 L CA 1.328 56.149 54.840 -0.032 0.000 0.745 269 L CB -0.152 41.877 42.059 -0.049 0.000 0.892 269 L HN 0.155 nan 8.230 nan 0.000 0.431 270 I N -0.194 120.351 120.570 -0.043 0.000 2.226 270 I HA -0.272 3.904 4.170 0.010 0.000 0.245 270 I C 2.713 178.871 176.117 0.069 0.000 1.100 270 I CA 1.145 62.428 61.300 -0.029 0.000 1.374 270 I CB -0.594 37.389 38.000 -0.028 0.000 1.057 270 I HN 0.339 nan 8.210 nan 0.000 0.413 271 A N -0.294 122.555 122.820 0.049 0.000 1.908 271 A HA -0.319 4.006 4.320 0.010 0.000 0.218 271 A C 2.536 180.153 177.584 0.054 0.000 1.181 271 A CA 2.121 54.191 52.037 0.056 0.000 0.627 271 A CB -1.440 17.580 19.000 0.033 0.000 0.818 271 A HN 0.631 nan 8.150 nan 0.000 0.445 272 c N -0.604 118.017 118.600 0.035 0.000 2.436 272 c HA -0.034 4.542 4.570 0.010 0.000 0.277 272 c C 2.613 176.733 174.090 0.050 0.000 1.241 272 c CA 1.130 57.477 56.329 0.029 0.000 1.721 272 c CB -1.627 40.889 42.510 0.009 0.000 2.043 272 c HN 0.601 nan 8.230 nan 0.000 0.472 273 L N 0.517 121.776 121.223 0.060 0.000 2.089 273 L HA -0.206 4.140 4.340 0.010 0.000 0.213 273 L C 2.955 179.953 176.870 0.213 0.000 1.079 273 L CA 1.868 56.782 54.840 0.122 0.000 0.758 273 L CB -0.650 41.452 42.059 0.071 0.000 0.891 273 L HN 0.387 nan 8.230 nan 0.000 0.433 274 R N -0.722 119.910 120.500 0.220 0.000 2.237 274 R HA -0.117 4.229 4.340 0.010 0.000 0.219 274 R C 2.160 178.492 176.300 0.052 0.000 1.080 274 R CA 1.631 57.805 56.100 0.123 0.000 0.995 274 R CB -0.417 29.943 30.300 0.099 0.000 0.875 274 R HN 0.537 nan 8.270 nan 0.000 0.462 275 T N -1.726 112.860 114.554 0.054 0.000 3.081 275 T HA 0.106 4.462 4.350 0.010 0.000 0.255 275 T C 0.899 175.617 174.700 0.030 0.000 1.113 275 T CA -0.160 61.958 62.100 0.031 0.000 1.082 275 T CB 0.200 69.085 68.868 0.027 0.000 0.939 275 T HN -0.128 nan 8.240 nan 0.000 0.506 276 R N 2.745 123.271 120.500 0.043 0.000 2.490 276 R HA 0.417 4.763 4.340 0.010 0.000 0.280 276 R C -2.634 173.686 176.300 0.034 0.000 1.077 276 R CA -2.384 53.742 56.100 0.043 0.000 1.065 276 R CB -0.030 30.302 30.300 0.055 0.000 1.003 276 R HN 0.286 nan 8.270 nan 0.000 0.470 277 P HA 0.094 nan 4.420 nan 0.000 0.272 277 P C 0.179 177.472 177.300 -0.013 0.000 1.223 277 P CA -0.112 62.984 63.100 -0.005 0.000 0.784 277 P CB 0.565 32.270 31.700 0.007 0.000 0.923 278 A N 1.672 124.409 122.820 -0.138 0.000 1.908 278 A HA -0.265 4.061 4.320 0.010 0.000 0.218 278 A C 2.188 179.723 177.584 -0.081 0.000 1.181 278 A CA 1.949 53.875 52.037 -0.185 0.000 0.627 278 A CB -1.283 17.118 19.000 -1.000 0.000 0.818 278 A HN 0.548 nan 8.150 nan 0.000 0.445 279 Q N 0.049 119.784 119.800 -0.109 0.000 2.167 279 Q HA -0.155 4.191 4.340 0.010 0.000 0.202 279 Q C 1.304 177.419 176.000 0.191 0.000 0.970 279 Q CA 1.927 57.823 55.803 0.155 0.000 0.855 279 Q CB -0.398 28.454 28.738 0.190 0.000 0.911 279 Q HN 0.627 nan 8.270 nan 0.000 0.438 280 D N -0.501 119.991 120.400 0.153 0.000 2.123 280 D HA -0.159 4.487 4.640 0.010 0.000 0.196 280 D C 1.660 178.121 176.300 0.270 0.000 0.992 280 D CA 1.209 55.337 54.000 0.213 0.000 0.833 280 D CB -0.115 40.784 40.800 0.166 0.000 0.954 280 D HN 0.303 nan 8.370 nan 0.000 0.455 281 L N -0.167 121.166 121.223 0.183 0.000 2.056 281 L HA -0.113 4.233 4.340 0.010 0.000 0.207 281 L C 2.453 179.421 176.870 0.162 0.000 1.078 281 L CA 0.495 55.400 54.840 0.108 0.000 0.749 281 L CB -0.447 41.548 42.059 -0.107 0.000 0.901 281 L HN -0.025 nan 8.230 nan 0.000 0.433 282 V N -0.072 120.001 119.914 0.265 0.000 2.295 282 V HA -0.294 3.832 4.120 0.010 0.000 0.246 282 V C 2.046 178.316 176.094 0.293 0.000 1.049 282 V CA 1.929 64.435 62.300 0.344 0.000 1.024 282 V CB -0.582 31.543 31.823 0.504 0.000 0.648 282 V HN 0.429 nan 8.190 nan 0.000 0.447 283 D N -0.720 119.820 120.400 0.234 0.000 2.271 283 D HA -0.165 4.481 4.640 0.010 0.000 0.207 283 D C 1.647 177.875 176.300 -0.120 0.000 0.983 283 D CA 1.507 55.553 54.000 0.076 0.000 0.878 283 D CB -0.215 40.576 40.800 -0.014 0.000 0.920 283 D HN 0.664 nan 8.370 nan 0.000 0.479 284 H N -1.188 117.986 119.070 0.172 0.000 2.893 284 H HA 0.122 4.684 4.556 0.010 0.000 0.270 284 H C 1.525 176.885 175.328 0.054 0.000 1.095 284 H CA 0.078 56.239 56.048 0.188 0.000 1.186 284 H CB 0.426 30.350 29.762 0.270 0.000 1.562 284 H HN 0.242 nan 8.280 nan 0.000 0.536 285 E N 0.286 120.532 120.200 0.076 0.000 2.204 285 E HA -0.196 4.160 4.350 0.010 0.000 0.195 285 E C 0.688 177.107 176.600 -0.302 0.000 0.990 285 E CA 0.984 57.377 56.400 -0.011 0.000 0.821 285 E CB -0.239 29.428 29.700 -0.056 0.000 0.750 285 E HN 0.550 nan 8.360 nan 0.000 0.477 286 W N 0.622 121.808 121.300 -0.190 0.000 2.905 286 W HA 0.081 4.747 4.660 0.009 0.000 0.251 286 W C 1.525 177.938 176.519 -0.177 0.000 1.305 286 W CA 0.050 57.236 57.345 -0.263 0.000 1.465 286 W CB 0.198 29.425 29.460 -0.390 0.000 1.122 286 W HN 0.177 nan 8.180 nan 0.000 0.659 287 H N -0.142 119.044 119.070 0.193 0.000 2.547 287 H HA 0.045 4.607 4.556 0.010 0.000 0.266 287 H C 1.871 177.246 175.328 0.079 0.000 0.988 287 H CA 1.030 57.166 56.048 0.147 0.000 1.147 287 H CB -0.526 29.346 29.762 0.184 0.000 1.365 287 H HN 0.254 nan 8.280 nan 0.000 0.589 288 V N -2.283 117.690 119.914 0.098 0.000 3.578 288 V HA 0.239 4.365 4.120 0.010 0.000 0.290 288 V C 0.704 176.764 176.094 -0.056 0.000 1.376 288 V CA -0.150 62.153 62.300 0.004 0.000 1.083 288 V CB -0.266 31.519 31.823 -0.064 0.000 0.911 288 V HN -0.019 nan 8.190 nan 0.000 0.433 289 L N 2.391 123.600 121.223 -0.025 0.000 2.380 289 L HA 0.320 4.666 4.340 0.010 0.000 0.273 289 L C -0.382 176.482 176.870 -0.011 0.000 1.138 289 L CA -1.258 53.560 54.840 -0.036 0.000 0.832 289 L CB 0.999 43.062 42.059 0.007 0.000 1.124 289 L HN 0.112 nan 8.230 nan 0.000 0.454 290 P HA -0.120 nan 4.420 nan 0.000 0.217 290 P C -0.203 177.096 177.300 -0.001 0.000 1.150 290 P CA 1.269 64.359 63.100 -0.015 0.000 0.832 290 P CB 0.347 32.032 31.700 -0.024 0.000 0.787 291 Q N -1.399 118.402 119.800 0.001 0.000 2.528 291 Q HA 0.354 4.699 4.340 0.010 0.000 0.289 291 Q C -0.537 175.472 176.000 0.014 0.000 1.091 291 Q CA -0.809 54.998 55.803 0.008 0.000 0.797 291 Q CB 1.080 29.820 28.738 0.003 0.000 1.466 291 Q HN -0.020 nan 8.270 nan 0.000 0.436 292 E N 0.996 121.206 120.200 0.017 0.000 2.415 292 E HA 0.302 4.657 4.350 0.010 0.000 0.260 292 E C -1.003 175.602 176.600 0.009 0.000 1.016 292 E CA 0.087 56.498 56.400 0.018 0.000 0.924 292 E CB 0.300 30.011 29.700 0.019 0.000 0.961 292 E HN 0.585 nan 8.360 nan 0.000 0.459 293 S N 3.779 119.482 115.700 0.005 0.000 2.588 293 S HA 0.610 5.086 4.470 0.010 0.000 0.269 293 S C -0.486 174.105 174.600 -0.016 0.000 1.157 293 S CA -1.042 57.153 58.200 -0.008 0.000 0.824 293 S CB 0.771 63.958 63.200 -0.021 0.000 1.126 293 S HN 0.534 nan 8.310 nan 0.000 0.464 294 I N -2.346 118.215 120.570 -0.015 0.000 2.910 294 I HA 0.797 4.973 4.170 0.010 0.000 0.310 294 I C -0.058 176.014 176.117 -0.074 0.000 1.043 294 I CA -1.182 60.111 61.300 -0.011 0.000 1.053 294 I CB 0.942 38.989 38.000 0.078 0.000 1.242 294 I HN 0.779 nan 8.210 nan 0.000 0.452 295 F N 1.444 121.155 119.950 -0.398 0.000 3.093 295 F HA -0.192 4.341 4.527 0.010 0.000 0.287 295 F C -0.164 175.030 175.800 -1.010 0.000 0.882 295 F CA 0.686 58.202 58.000 -0.808 0.000 1.063 295 F CB -0.642 37.851 39.000 -0.844 0.000 1.097 295 F HN 0.565 nan 8.300 nan 0.000 0.604 296 R N 0.286 120.299 120.500 -0.811 0.000 2.686 296 R HA 0.682 5.028 4.340 0.010 0.000 0.286 296 R C -0.981 174.869 176.300 -0.751 0.000 0.969 296 R CA -0.574 55.114 56.100 -0.687 0.000 0.898 296 R CB 1.423 31.590 30.300 -0.222 0.000 1.183 296 R HN 0.005 nan 8.270 nan 0.000 0.456 297 F N -0.840 119.207 119.950 0.161 0.000 2.565 297 F HA 0.347 4.879 4.527 0.009 0.000 0.313 297 F C 1.475 177.198 175.800 -0.129 0.000 1.091 297 F CA -0.839 57.201 58.000 0.066 0.000 0.915 297 F CB 1.883 41.038 39.000 0.259 0.000 1.208 297 F HN 0.351 nan 8.300 nan 0.000 0.453 298 S N 0.902 116.456 115.700 -0.243 0.000 2.348 298 S HA -0.031 4.445 4.470 0.010 0.000 0.221 298 S C 0.018 174.180 174.600 -0.729 0.000 1.033 298 S CA 1.297 59.152 58.200 -0.576 0.000 1.010 298 S CB -0.208 62.512 63.200 -0.801 0.000 0.891 298 S HN 0.362 nan 8.310 nan 0.000 0.442 299 F N 1.288 121.229 119.950 -0.014 0.000 2.382 299 F HA 0.550 5.083 4.527 0.010 0.000 0.361 299 F C -0.043 175.750 175.800 -0.011 0.000 1.109 299 F CA -0.966 57.057 58.000 0.037 0.000 1.031 299 F CB 1.323 40.376 39.000 0.089 0.000 1.234 299 F HN -0.097 nan 8.300 nan 0.000 0.445 300 V N 0.732 120.617 119.914 -0.048 0.000 3.167 300 V HA 0.762 4.888 4.120 0.010 0.000 0.310 300 V C -2.919 172.846 176.094 -0.547 0.000 1.207 300 V CA -3.394 58.570 62.300 -0.560 0.000 1.059 300 V CB 2.031 33.689 31.823 -0.275 0.000 1.079 300 V HN 0.278 nan 8.190 nan 0.000 0.446 301 P HA 0.115 nan 4.420 nan 0.000 0.261 301 P C -0.627 176.555 177.300 -0.197 0.000 1.173 301 P CA 0.522 63.381 63.100 -0.402 0.000 0.760 301 P CB 0.524 31.908 31.700 -0.527 0.000 0.783 302 V N 5.615 125.486 119.914 -0.072 0.000 2.472 302 V HA 0.173 4.299 4.120 0.010 0.000 0.290 302 V C -0.110 175.969 176.094 -0.026 0.000 1.037 302 V CA -0.776 61.500 62.300 -0.039 0.000 0.908 302 V CB 1.731 33.558 31.823 0.006 0.000 0.985 302 V HN 0.146 nan 8.190 nan 0.000 0.454 303 V N 7.874 127.771 119.914 -0.028 0.000 2.359 303 V HA 0.122 4.248 4.120 0.010 0.000 0.248 303 V C 0.913 177.013 176.094 0.011 0.000 1.091 303 V CA 0.509 62.805 62.300 -0.007 0.000 1.103 303 V CB -0.007 31.805 31.823 -0.019 0.000 1.176 303 V HN 1.063 nan 8.190 nan 0.000 0.488 304 D N 2.723 123.144 120.400 0.036 0.000 2.369 304 D HA 0.117 4.763 4.640 0.010 0.000 0.211 304 D C 1.502 177.825 176.300 0.039 0.000 1.077 304 D CA 0.584 54.608 54.000 0.040 0.000 0.842 304 D CB 0.446 41.280 40.800 0.057 0.000 0.947 304 D HN 0.650 nan 8.370 nan 0.000 0.509 305 G N 0.752 109.575 108.800 0.039 0.000 2.168 305 G HA2 -0.328 3.638 3.960 0.010 0.000 0.257 305 G HA3 -0.328 3.638 3.960 0.010 0.000 0.257 305 G C 0.330 175.251 174.900 0.036 0.000 0.997 305 G CA 0.855 45.974 45.100 0.030 0.000 0.708 305 G HN 0.549 nan 8.290 nan 0.000 0.520 306 D N -1.701 118.736 120.400 0.062 0.000 3.028 306 D HA 0.225 4.870 4.640 0.010 0.000 0.205 306 D C 1.739 178.085 176.300 0.078 0.000 1.489 306 D CA 0.254 54.293 54.000 0.064 0.000 1.452 306 D CB -0.643 40.206 40.800 0.082 0.000 1.052 306 D HN 0.042 nan 8.370 nan 0.000 0.221 307 F N 1.171 121.130 119.950 0.014 0.000 2.091 307 F HA 0.080 4.612 4.527 0.009 0.000 0.299 307 F C 0.662 176.464 175.800 0.004 0.000 1.103 307 F CA 1.342 59.350 58.000 0.014 0.000 1.228 307 F CB 0.098 39.104 39.000 0.010 0.000 0.984 307 F HN 0.004 nan 8.300 nan 0.000 0.477 308 L N 0.396 121.778 121.223 0.265 0.000 2.294 308 L HA 0.199 4.545 4.340 0.010 0.000 0.283 308 L C 1.286 178.200 176.870 0.073 0.000 1.015 308 L CA -0.162 54.768 54.840 0.151 0.000 0.831 308 L CB 1.534 43.668 42.059 0.126 0.000 1.217 308 L HN 0.038 nan 8.230 nan 0.000 0.420 309 S N 0.507 116.232 115.700 0.041 0.000 2.461 309 S HA 0.014 4.490 4.470 0.010 0.000 0.228 309 S C 0.418 175.029 174.600 0.017 0.000 1.005 309 S CA 0.432 58.644 58.200 0.021 0.000 0.942 309 S CB 0.167 63.370 63.200 0.005 0.000 0.776 309 S HN 0.723 nan 8.310 nan 0.000 0.514 310 D N 0.210 120.622 120.400 0.020 0.000 2.768 310 D HA 0.279 4.924 4.640 0.010 0.000 0.327 310 D C -0.984 175.321 176.300 0.008 0.000 1.302 310 D CA 0.035 54.041 54.000 0.011 0.000 0.897 310 D CB 1.272 42.077 40.800 0.007 0.000 1.420 310 D HN 0.203 nan 8.370 nan 0.000 0.494 311 T N -0.637 113.915 114.554 -0.004 0.000 2.940 311 T HA 0.249 4.605 4.350 0.010 0.000 0.309 311 T C -1.804 172.889 174.700 -0.013 0.000 1.056 311 T CA -0.662 61.427 62.100 -0.019 0.000 1.137 311 T CB 1.048 69.899 68.868 -0.029 0.000 0.976 311 T HN 0.110 nan 8.240 nan 0.000 0.547 312 P HA -0.144 nan 4.420 nan 0.000 0.216 312 P C 1.415 178.706 177.300 -0.015 0.000 1.157 312 P CA 1.269 64.353 63.100 -0.027 0.000 0.880 312 P CB 0.052 31.705 31.700 -0.078 0.000 0.791 313 E N -0.554 119.626 120.200 -0.034 0.000 2.070 313 E HA -0.207 4.149 4.350 0.010 0.000 0.197 313 E C 2.137 178.741 176.600 0.008 0.000 1.004 313 E CA 1.797 58.185 56.400 -0.020 0.000 0.805 313 E CB -1.125 28.556 29.700 -0.032 0.000 0.744 313 E HN 0.159 nan 8.360 nan 0.000 0.451 314 A N 0.547 123.371 122.820 0.006 0.000 1.877 314 A HA -0.176 4.150 4.320 0.010 0.000 0.216 314 A C 2.227 179.834 177.584 0.039 0.000 1.186 314 A CA 1.436 53.483 52.037 0.016 0.000 0.620 314 A CB -0.773 18.231 19.000 0.007 0.000 0.822 314 A HN 0.206 nan 8.150 nan 0.000 0.443 315 L N -0.108 121.146 121.223 0.052 0.000 2.141 315 L HA -0.146 4.200 4.340 0.010 0.000 0.209 315 L C 2.546 179.531 176.870 0.192 0.000 1.094 315 L CA 1.499 56.395 54.840 0.094 0.000 0.763 315 L CB -0.708 41.410 42.059 0.098 0.000 0.908 315 L HN 0.683 nan 8.230 nan 0.000 0.437 316 I N -3.149 117.523 120.570 0.170 0.000 2.617 316 I HA -0.089 4.087 4.170 0.010 0.000 0.256 316 I C 1.956 178.209 176.117 0.226 0.000 1.167 316 I CA 1.116 62.556 61.300 0.234 0.000 1.469 316 I CB -0.406 37.631 38.000 0.061 0.000 1.098 316 I HN 0.127 nan 8.210 nan 0.000 0.436 317 N N 1.372 120.146 118.700 0.124 0.000 2.309 317 N HA -0.096 4.650 4.740 0.010 0.000 0.182 317 N C 1.586 177.144 175.510 0.080 0.000 1.018 317 N CA 1.988 55.091 53.050 0.089 0.000 0.876 317 N CB -0.190 38.326 38.487 0.049 0.000 0.972 317 N HN 0.702 nan 8.380 nan 0.000 0.434 318 T N -4.002 110.591 114.554 0.066 0.000 3.209 318 T HA 0.387 4.743 4.350 0.010 0.000 0.295 318 T C 0.589 175.243 174.700 -0.077 0.000 0.977 318 T CA -0.551 61.550 62.100 0.002 0.000 0.922 318 T CB 0.081 68.946 68.868 -0.005 0.000 1.152 318 T HN 0.035 nan 8.240 nan 0.000 0.527 319 G N 0.437 109.159 108.800 -0.131 0.000 2.451 319 G HA2 0.505 4.471 3.960 0.010 0.000 0.303 319 G HA3 0.505 4.471 3.960 0.010 0.000 0.303 319 G C -1.348 173.050 174.900 -0.837 0.000 1.166 319 G CA -0.557 44.215 45.100 -0.547 0.000 0.884 319 G HN 0.302 nan 8.290 nan 0.000 0.514 320 D N -0.216 119.694 120.400 -0.817 0.000 2.373 320 D HA 0.421 5.067 4.640 0.010 0.000 0.227 320 D C -0.683 175.224 176.300 -0.654 0.000 1.091 320 D CA -0.538 53.135 54.000 -0.546 0.000 0.840 320 D CB 0.499 41.137 40.800 -0.270 0.000 1.060 320 D HN 0.084 nan 8.370 nan 0.000 0.502 321 F N 2.576 122.534 119.950 0.014 0.000 2.893 321 F HA 0.283 4.816 4.527 0.009 0.000 0.340 321 F C 1.743 177.556 175.800 0.021 0.000 1.300 321 F CA -0.492 57.520 58.000 0.021 0.000 1.227 321 F CB 0.364 39.386 39.000 0.036 0.000 1.044 321 F HN 0.404 nan 8.300 nan 0.000 0.512 322 Q N 1.002 120.859 119.800 0.095 0.000 2.050 322 Q HA -0.178 4.167 4.340 0.010 0.000 0.202 322 Q C 1.325 177.369 176.000 0.073 0.000 0.980 322 Q CA 1.907 57.750 55.803 0.066 0.000 0.840 322 Q CB 0.117 28.865 28.738 0.018 0.000 0.898 322 Q HN 0.496 nan 8.270 nan 0.000 0.424 323 D N -0.516 119.924 120.400 0.067 0.000 2.395 323 D HA 0.020 4.666 4.640 0.010 0.000 0.226 323 D C -0.408 175.939 176.300 0.077 0.000 1.146 323 D CA -0.155 53.878 54.000 0.055 0.000 0.830 323 D CB -0.085 40.731 40.800 0.028 0.000 0.958 323 D HN 0.060 nan 8.370 nan 0.000 0.501 324 L N 1.012 122.308 121.223 0.121 0.000 2.264 324 L HA 0.352 4.698 4.340 0.010 0.000 0.289 324 L C -0.722 176.235 176.870 0.145 0.000 1.044 324 L CA -0.235 54.690 54.840 0.142 0.000 0.807 324 L CB 1.402 43.574 42.059 0.189 0.000 1.192 324 L HN -0.154 nan 8.230 nan 0.000 0.425 325 Q N 3.593 123.492 119.800 0.165 0.000 2.314 325 Q HA 0.651 4.997 4.340 0.010 0.000 0.259 325 Q C -1.168 175.107 176.000 0.458 0.000 0.951 325 Q CA -0.216 55.742 55.803 0.258 0.000 0.909 325 Q CB 2.424 31.247 28.738 0.141 0.000 1.236 325 Q HN 0.478 nan 8.270 nan 0.000 0.444 326 V N 3.891 124.039 119.914 0.389 0.000 2.638 326 V HA 0.535 4.661 4.120 0.010 0.000 0.306 326 V C -1.832 174.227 176.094 -0.059 0.000 1.052 326 V CA -0.928 61.498 62.300 0.210 0.000 0.885 326 V CB 1.964 33.831 31.823 0.073 0.000 0.999 326 V HN 0.652 nan 8.190 nan 0.000 0.424 327 L N 8.483 129.452 121.223 -0.424 0.000 2.313 327 L HA 0.882 5.227 4.340 0.010 0.000 0.283 327 L C -0.618 176.128 176.870 -0.207 0.000 1.013 327 L CA -0.174 54.333 54.840 -0.555 0.000 0.816 327 L CB 1.625 42.894 42.059 -1.317 0.000 1.236 327 L HN 0.607 nan 8.230 nan 0.000 0.419 328 V N 2.115 121.982 119.914 -0.078 0.000 2.925 328 V HA 1.125 5.251 4.120 0.010 0.000 0.311 328 V C -0.230 175.675 176.094 -0.316 0.000 1.104 328 V CA 0.161 62.400 62.300 -0.101 0.000 0.954 328 V CB 1.194 32.926 31.823 -0.151 0.000 1.022 328 V HN 1.088 nan 8.190 nan 0.000 0.427 329 G N 0.968 109.422 108.800 -0.577 0.000 2.488 329 G HA2 0.810 4.776 3.960 0.010 0.000 0.301 329 G HA3 0.810 4.776 3.960 0.010 0.000 0.301 329 G C -1.194 173.371 174.900 -0.558 0.000 1.339 329 G CA 0.050 44.410 45.100 -1.235 0.000 0.803 329 G HN 2.070 nan 8.290 nan 0.000 0.482 330 V N -2.472 117.244 119.914 -0.330 0.000 3.181 330 V HA 0.916 5.042 4.120 0.010 0.000 0.308 330 V C 0.305 176.553 176.094 0.255 0.000 1.214 330 V CA -0.458 61.865 62.300 0.038 0.000 1.053 330 V CB 1.084 32.921 31.823 0.023 0.000 1.069 330 V HN 1.799 nan 8.190 nan 0.000 0.441 331 V N -0.591 119.503 119.914 0.299 0.000 3.109 331 V HA 0.572 4.698 4.120 0.010 0.000 0.317 331 V C 1.402 177.677 176.094 0.301 0.000 1.074 331 V CA 0.093 62.623 62.300 0.383 0.000 1.033 331 V CB 1.141 33.178 31.823 0.356 0.000 1.111 331 V HN 1.068 nan 8.190 nan 0.000 0.458 332 K N 0.237 120.815 120.400 0.297 0.000 2.057 332 K HA -0.084 4.241 4.320 0.010 0.000 0.207 332 K C 0.180 176.903 176.600 0.204 0.000 1.049 332 K CA 2.098 58.517 56.287 0.220 0.000 0.931 332 K CB -0.077 32.532 32.500 0.181 0.000 0.714 332 K HN 0.957 nan 8.250 nan 0.000 0.440 333 D N 0.848 121.377 120.400 0.215 0.000 2.551 333 D HA 0.061 4.707 4.640 0.010 0.000 0.294 333 D C 0.103 176.545 176.300 0.237 0.000 1.201 333 D CA -0.172 53.947 54.000 0.199 0.000 0.941 333 D CB 1.316 42.212 40.800 0.159 0.000 0.995 333 D HN 0.061 nan 8.370 nan 0.000 0.502 334 E N 0.601 120.956 120.200 0.257 0.000 2.153 334 E HA -0.108 4.247 4.350 0.010 0.000 0.194 334 E C 2.089 178.917 176.600 0.379 0.000 0.988 334 E CA 0.766 57.368 56.400 0.337 0.000 0.811 334 E CB 0.037 29.897 29.700 0.267 0.000 0.746 334 E HN 0.522 nan 8.360 nan 0.000 0.466 335 G N 0.914 109.883 108.800 0.282 0.000 2.683 335 G HA2 -0.149 3.817 3.960 0.010 0.000 0.213 335 G HA3 -0.149 3.817 3.960 0.010 0.000 0.213 335 G C 1.696 176.789 174.900 0.321 0.000 1.142 335 G CA 0.755 46.041 45.100 0.311 0.000 0.793 335 G HN 0.354 nan 8.290 nan 0.000 0.534 336 S N 0.029 115.859 115.700 0.217 0.000 2.368 336 S HA -0.223 4.253 4.470 0.010 0.000 0.225 336 S C 2.124 176.709 174.600 -0.025 0.000 1.030 336 S CA 1.297 59.566 58.200 0.115 0.000 0.999 336 S CB -0.735 62.459 63.200 -0.009 0.000 0.844 336 S HN 0.408 nan 8.310 nan 0.000 0.459 337 Y N 1.694 121.832 120.300 -0.271 0.000 2.165 337 Y HA -0.129 4.427 4.550 0.009 0.000 0.286 337 Y C 1.745 177.416 175.900 -0.381 0.000 1.155 337 Y CA 1.847 59.603 58.100 -0.574 0.000 1.164 337 Y CB -0.523 37.426 38.460 -0.851 0.000 0.978 337 Y HN 0.304 nan 8.280 nan 0.000 0.513 338 F N -0.704 119.312 119.950 0.110 0.000 2.407 338 F HA -0.125 4.408 4.527 0.009 0.000 0.299 338 F C 1.977 177.824 175.800 0.078 0.000 1.097 338 F CA 0.724 58.786 58.000 0.103 0.000 1.422 338 F CB -0.481 38.537 39.000 0.030 0.000 1.067 338 F HN -0.007 nan 8.300 nan 0.000 0.539 339 L N 0.063 121.359 121.223 0.121 0.000 2.131 339 L HA -0.140 4.206 4.340 0.010 0.000 0.210 339 L C 2.360 179.270 176.870 0.068 0.000 1.092 339 L CA 0.987 55.784 54.840 -0.072 0.000 0.759 339 L CB -0.934 40.831 42.059 -0.490 0.000 0.903 339 L HN 0.189 nan 8.230 nan 0.000 0.435 340 V N -4.843 115.136 119.914 0.109 0.000 3.380 340 V HA -0.155 3.971 4.120 0.010 0.000 0.268 340 V C 1.292 177.288 176.094 -0.163 0.000 1.168 340 V CA 0.773 63.115 62.300 0.070 0.000 1.156 340 V CB -1.129 30.755 31.823 0.101 0.000 0.785 340 V HN 0.306 nan 8.190 nan 0.000 0.487 341 Y N 1.846 122.147 120.300 0.002 0.000 2.583 341 Y HA 0.647 5.203 4.550 0.009 0.000 0.294 341 Y C 1.618 177.496 175.900 -0.036 0.000 1.170 341 Y CA 0.287 58.363 58.100 -0.040 0.000 1.265 341 Y CB 0.495 38.924 38.460 -0.052 0.000 1.119 341 Y HN 0.427 nan 8.280 nan 0.000 0.522 342 G N -0.772 108.078 108.800 0.083 0.000 2.731 342 G HA2 -0.092 3.873 3.960 0.010 0.000 0.219 342 G HA3 -0.092 3.873 3.960 0.010 0.000 0.219 342 G C -0.933 174.012 174.900 0.075 0.000 0.989 342 G CA -0.607 44.529 45.100 0.059 0.000 0.871 342 G HN -0.005 nan 8.290 nan 0.000 0.591 343 V N 2.000 121.981 119.914 0.111 0.000 2.350 343 V HA 0.450 4.576 4.120 0.010 0.000 0.276 343 V C -1.877 174.374 176.094 0.261 0.000 1.028 343 V CA -1.801 60.598 62.300 0.165 0.000 0.860 343 V CB 1.523 33.416 31.823 0.118 0.000 0.990 343 V HN 0.097 nan 8.190 nan 0.000 0.453 344 P HA 0.287 nan 4.420 nan 0.000 0.265 344 P C 0.996 178.354 177.300 0.096 0.000 1.193 344 P CA 1.092 64.257 63.100 0.109 0.000 0.765 344 P CB 0.772 32.508 31.700 0.059 0.000 0.823 345 G N 0.927 109.722 108.800 -0.008 0.000 2.213 345 G HA2 -0.210 3.755 3.960 0.010 0.000 0.226 345 G HA3 -0.210 3.755 3.960 0.010 0.000 0.226 345 G C -0.193 174.477 174.900 -0.384 0.000 0.992 345 G CA -0.578 44.396 45.100 -0.211 0.000 0.632 345 G HN 0.406 nan 8.290 nan 0.000 0.511 346 F N 1.401 121.329 119.950 -0.037 0.000 2.450 346 F HA 0.789 5.322 4.527 0.009 0.000 0.332 346 F C 0.586 176.436 175.800 0.083 0.000 1.093 346 F CA 0.035 58.022 58.000 -0.022 0.000 1.003 346 F CB 2.316 41.345 39.000 0.048 0.000 1.151 346 F HN 0.251 nan 8.300 nan 0.000 0.474 347 S N 1.570 117.484 115.700 0.356 0.000 2.567 347 S HA 0.279 4.755 4.470 0.010 0.000 0.270 347 S C 0.078 174.967 174.600 0.482 0.000 1.152 347 S CA -0.790 57.622 58.200 0.353 0.000 0.835 347 S CB 1.472 64.783 63.200 0.184 0.000 1.115 347 S HN 0.759 nan 8.310 nan 0.000 0.459 348 K N 0.739 121.296 120.400 0.261 0.000 2.305 348 K HA 0.159 4.485 4.320 0.010 0.000 0.199 348 K C 0.169 176.776 176.600 0.012 0.000 1.047 348 K CA 0.997 57.331 56.287 0.078 0.000 0.976 348 K CB -0.159 32.080 32.500 -0.436 0.000 0.765 348 K HN 0.469 nan 8.250 nan 0.000 0.474 349 D N 1.037 121.433 120.400 -0.006 0.000 2.349 349 D HA -0.005 4.641 4.640 0.010 0.000 0.215 349 D C -0.092 176.225 176.300 0.027 0.000 1.016 349 D CA 0.397 54.373 54.000 -0.040 0.000 0.870 349 D CB 0.074 40.837 40.800 -0.061 0.000 0.917 349 D HN 0.484 nan 8.370 nan 0.000 0.524 350 N N -1.020 117.733 118.700 0.088 0.000 3.278 350 N HA 0.071 4.817 4.740 0.010 0.000 0.307 350 N C 0.411 175.970 175.510 0.082 0.000 1.551 350 N CA -0.509 52.573 53.050 0.053 0.000 0.794 350 N CB 0.833 39.308 38.487 -0.020 0.000 1.770 350 N HN -0.413 nan 8.380 nan 0.000 0.612 351 E N -0.489 119.681 120.200 -0.049 0.000 2.427 351 E HA 0.031 4.387 4.350 0.010 0.000 0.196 351 E C -0.378 175.857 176.600 -0.609 0.000 1.028 351 E CA 0.548 56.850 56.400 -0.164 0.000 0.864 351 E CB -0.510 29.133 29.700 -0.096 0.000 0.813 351 E HN 0.604 nan 8.360 nan 0.000 0.514 352 S N 0.275 115.635 115.700 -0.566 0.000 3.641 352 S HA -0.188 4.287 4.470 0.010 0.000 0.346 352 S C 0.377 174.528 174.600 -0.748 0.000 1.074 352 S CA 0.188 57.911 58.200 -0.795 0.000 1.026 352 S CB -2.112 60.352 63.200 -1.227 0.000 0.908 352 S HN 0.304 nan 8.310 nan 0.000 0.479 353 L N 1.531 122.477 121.223 -0.462 0.000 2.477 353 L HA 0.402 4.748 4.340 0.010 0.000 0.272 353 L C 0.699 177.364 176.870 -0.341 0.000 1.157 353 L CA 0.084 54.721 54.840 -0.339 0.000 0.889 353 L CB 0.053 41.985 42.059 -0.211 0.000 1.158 353 L HN 0.472 nan 8.230 nan 0.000 0.473 354 I N 0.080 120.457 120.570 -0.320 0.000 3.067 354 I HA 0.686 4.862 4.170 0.010 0.000 0.312 354 I C 0.364 176.402 176.117 -0.133 0.000 1.073 354 I CA -0.652 60.486 61.300 -0.269 0.000 1.016 354 I CB 2.053 39.849 38.000 -0.341 0.000 1.227 354 I HN 0.538 nan 8.210 nan 0.000 0.456 355 S N 1.959 117.612 115.700 -0.077 0.000 2.707 355 S HA 0.436 4.912 4.470 0.010 0.000 0.276 355 S C 0.913 175.533 174.600 0.033 0.000 1.179 355 S CA -0.431 57.752 58.200 -0.028 0.000 0.992 355 S CB 1.492 64.681 63.200 -0.019 0.000 1.030 355 S HN 0.858 nan 8.310 nan 0.000 0.554 356 R N 0.161 120.686 120.500 0.042 0.000 2.092 356 R HA 0.007 4.353 4.340 0.010 0.000 0.231 356 R C 2.358 178.751 176.300 0.156 0.000 1.119 356 R CA 1.506 57.670 56.100 0.106 0.000 0.970 356 R CB -1.105 29.235 30.300 0.067 0.000 0.864 356 R HN 0.815 nan 8.270 nan 0.000 0.440 357 A N 0.626 123.500 122.820 0.091 0.000 1.877 357 A HA -0.221 4.105 4.320 0.010 0.000 0.216 357 A C 2.018 179.651 177.584 0.081 0.000 1.186 357 A CA 1.585 53.667 52.037 0.074 0.000 0.620 357 A CB -0.560 18.465 19.000 0.043 0.000 0.822 357 A HN 0.502 nan 8.150 nan 0.000 0.443 358 Q N -1.827 118.019 119.800 0.077 0.000 2.226 358 Q HA -0.150 4.195 4.340 0.010 0.000 0.204 358 Q C 1.871 177.972 176.000 0.168 0.000 0.975 358 Q CA 1.489 57.343 55.803 0.085 0.000 0.866 358 Q CB -0.315 28.438 28.738 0.024 0.000 0.915 358 Q HN 0.807 nan 8.270 nan 0.000 0.440 359 F N 1.057 121.030 119.950 0.038 0.000 2.128 359 F HA -0.151 4.382 4.527 0.009 0.000 0.295 359 F C 1.798 177.632 175.800 0.057 0.000 1.100 359 F CA 0.940 58.975 58.000 0.059 0.000 1.260 359 F CB 0.080 39.098 39.000 0.029 0.000 1.009 359 F HN -0.061 nan 8.300 nan 0.000 0.476 360 L N 0.170 121.363 121.223 -0.049 0.000 2.083 360 L HA -0.194 4.151 4.340 0.010 0.000 0.209 360 L C 2.809 179.611 176.870 -0.113 0.000 1.083 360 L CA 1.080 55.835 54.840 -0.142 0.000 0.752 360 L CB -1.177 40.888 42.059 0.010 0.000 0.899 360 L HN 0.270 nan 8.230 nan 0.000 0.433 361 A N 0.362 123.161 122.820 -0.036 0.000 1.898 361 A HA -0.079 4.247 4.320 0.010 0.000 0.216 361 A C 2.421 179.989 177.584 -0.027 0.000 1.181 361 A CA 1.540 53.568 52.037 -0.015 0.000 0.620 361 A CB -1.159 17.853 19.000 0.020 0.000 0.819 361 A HN 0.424 nan 8.150 nan 0.000 0.442 362 G N -0.441 108.346 108.800 -0.023 0.000 2.440 362 G HA2 -0.138 3.828 3.960 0.010 0.000 0.218 362 G HA3 -0.138 3.828 3.960 0.010 0.000 0.218 362 G C 1.478 176.317 174.900 -0.102 0.000 1.154 362 G CA 1.257 46.350 45.100 -0.012 0.000 0.767 362 G HN 0.319 nan 8.290 nan 0.000 0.552 363 V N 0.894 120.671 119.914 -0.228 0.000 2.490 363 V HA -0.131 3.995 4.120 0.010 0.000 0.250 363 V C 2.972 179.005 176.094 -0.102 0.000 1.061 363 V CA 1.606 63.775 62.300 -0.219 0.000 1.064 363 V CB -0.389 31.222 31.823 -0.354 0.000 0.670 363 V HN 0.211 nan 8.190 nan 0.000 0.461 364 R N -0.050 120.404 120.500 -0.078 0.000 2.092 364 R HA 0.059 4.405 4.340 0.010 0.000 0.231 364 R C 2.054 178.341 176.300 -0.022 0.000 1.119 364 R CA 1.326 57.404 56.100 -0.037 0.000 0.970 364 R CB -0.759 29.527 30.300 -0.023 0.000 0.864 364 R HN 0.479 nan 8.270 nan 0.000 0.440 365 I N -0.470 120.088 120.570 -0.020 0.000 2.406 365 I HA -0.064 4.111 4.170 0.010 0.000 0.249 365 I C 2.314 178.426 176.117 -0.007 0.000 1.122 365 I CA 1.303 62.599 61.300 -0.006 0.000 1.431 365 I CB -0.585 37.419 38.000 0.006 0.000 1.087 365 I HN 0.183 nan 8.210 nan 0.000 0.424 366 G N 0.724 109.512 108.800 -0.020 0.000 2.408 366 G HA2 -0.078 3.888 3.960 0.010 0.000 0.217 366 G HA3 -0.078 3.888 3.960 0.010 0.000 0.217 366 G C 0.916 175.822 174.900 0.009 0.000 1.150 366 G CA 0.443 45.534 45.100 -0.015 0.000 0.776 366 G HN 0.247 nan 8.290 nan 0.000 0.542 367 V N 2.143 122.047 119.914 -0.016 0.000 2.233 367 V HA 0.225 4.351 4.120 0.010 0.000 0.261 367 V C -1.460 174.634 176.094 0.000 0.000 1.076 367 V CA -1.147 61.130 62.300 -0.038 0.000 1.001 367 V CB 1.326 33.100 31.823 -0.081 0.000 1.206 367 V HN 0.116 nan 8.190 nan 0.000 0.468 368 P HA -0.096 nan 4.420 nan 0.000 0.226 368 P C 1.039 178.347 177.300 0.013 0.000 1.153 368 P CA 0.912 64.019 63.100 0.012 0.000 0.777 368 P CB 0.566 32.272 31.700 0.009 0.000 0.794 369 Q N -0.430 119.387 119.800 0.027 0.000 2.425 369 Q HA 0.248 4.594 4.340 0.010 0.000 0.204 369 Q C 0.848 176.852 176.000 0.006 0.000 0.933 369 Q CA 0.022 55.837 55.803 0.019 0.000 0.939 369 Q CB -0.424 28.336 28.738 0.037 0.000 1.044 369 Q HN 0.167 nan 8.270 nan 0.000 0.513 370 A N 0.733 123.554 122.820 0.000 0.000 2.401 370 A HA 0.465 4.791 4.320 0.010 0.000 0.259 370 A C 0.415 177.993 177.584 -0.010 0.000 1.103 370 A CA -0.294 51.736 52.037 -0.011 0.000 0.789 370 A CB 0.252 19.244 19.000 -0.012 0.000 1.035 370 A HN 0.319 nan 8.150 nan 0.000 0.491 371 S N 1.748 117.439 115.700 -0.015 0.000 2.606 371 S HA 0.087 4.563 4.470 0.010 0.000 0.257 371 S C 0.483 175.083 174.600 0.001 0.000 1.327 371 S CA 0.312 58.507 58.200 -0.009 0.000 0.984 371 S CB 0.363 63.553 63.200 -0.017 0.000 0.941 371 S HN 0.618 nan 8.310 nan 0.000 0.576 372 D N 0.159 120.563 120.400 0.006 0.000 2.133 372 D HA -0.096 4.550 4.640 0.010 0.000 0.195 372 D C 1.684 178.001 176.300 0.029 0.000 0.997 372 D CA 1.189 55.199 54.000 0.017 0.000 0.840 372 D CB -0.449 40.361 40.800 0.017 0.000 0.947 372 D HN 0.450 nan 8.370 nan 0.000 0.452 373 L N 0.590 121.830 121.223 0.027 0.000 2.044 373 L HA 0.040 4.385 4.340 0.010 0.000 0.205 373 L C 2.081 178.990 176.870 0.064 0.000 1.075 373 L CA 1.746 56.614 54.840 0.046 0.000 0.747 373 L CB -0.885 41.195 42.059 0.035 0.000 0.903 373 L HN -0.019 nan 8.230 nan 0.000 0.435 374 A N -0.292 122.547 122.820 0.031 0.000 1.908 374 A HA -0.137 4.189 4.320 0.010 0.000 0.218 374 A C 2.440 180.068 177.584 0.073 0.000 1.181 374 A CA 1.928 53.984 52.037 0.031 0.000 0.627 374 A CB -1.199 17.776 19.000 -0.041 0.000 0.818 374 A HN 0.589 nan 8.150 nan 0.000 0.445 375 A N -0.686 122.162 122.820 0.047 0.000 1.930 375 A HA -0.109 4.217 4.320 0.010 0.000 0.217 375 A C 1.980 179.607 177.584 0.071 0.000 1.175 375 A CA 2.049 54.111 52.037 0.042 0.000 0.627 375 A CB -0.386 18.620 19.000 0.011 0.000 0.815 375 A HN 0.466 nan 8.150 nan 0.000 0.443 376 E N 0.274 120.526 120.200 0.088 0.000 2.152 376 E HA 0.018 4.374 4.350 0.010 0.000 0.192 376 E C 2.021 178.716 176.600 0.159 0.000 0.983 376 E CA 1.245 57.716 56.400 0.117 0.000 0.818 376 E CB -0.476 29.287 29.700 0.105 0.000 0.758 376 E HN 0.455 nan 8.360 nan 0.000 0.467 377 A N 0.022 122.954 122.820 0.186 0.000 1.902 377 A HA -0.148 4.178 4.320 0.010 0.000 0.217 377 A C 2.483 180.158 177.584 0.151 0.000 1.181 377 A CA 1.671 53.854 52.037 0.244 0.000 0.623 377 A CB -0.794 18.483 19.000 0.462 0.000 0.818 377 A HN 0.178 nan 8.150 nan 0.000 0.443 378 V N -0.477 119.556 119.914 0.199 0.000 2.255 378 V HA -0.248 3.878 4.120 0.010 0.000 0.247 378 V C 2.570 178.830 176.094 0.275 0.000 1.051 378 V CA 2.067 64.472 62.300 0.175 0.000 1.018 378 V CB -0.886 31.040 31.823 0.172 0.000 0.641 378 V HN 0.366 nan 8.190 nan 0.000 0.445 379 V N -0.448 119.592 119.914 0.210 0.000 2.332 379 V HA -0.245 3.880 4.120 0.010 0.000 0.248 379 V C 2.418 178.733 176.094 0.368 0.000 1.055 379 V CA 1.671 64.149 62.300 0.296 0.000 1.038 379 V CB -0.509 31.428 31.823 0.189 0.000 0.651 379 V HN 0.398 nan 8.190 nan 0.000 0.450 380 L N -0.312 121.109 121.223 0.330 0.000 2.012 380 L HA -0.257 4.089 4.340 0.010 0.000 0.210 380 L C 2.479 179.556 176.870 0.344 0.000 1.073 380 L CA 2.741 57.838 54.840 0.428 0.000 0.748 380 L CB -1.270 40.947 42.059 0.264 0.000 0.891 380 L HN 0.539 nan 8.230 nan 0.000 0.431 381 H N -1.581 117.492 119.070 0.006 0.000 2.389 381 H HA -0.174 4.387 4.556 0.008 0.000 0.299 381 H C 1.765 177.006 175.328 -0.145 0.000 1.081 381 H CA 1.789 57.704 56.048 -0.220 0.000 1.345 381 H CB 0.036 29.345 29.762 -0.756 0.000 1.393 381 H HN 0.265 nan 8.280 nan 0.000 0.520 382 Y N -0.304 120.068 120.300 0.120 0.000 2.478 382 Y HA 0.152 4.709 4.550 0.011 0.000 0.261 382 Y C 0.763 176.708 175.900 0.075 0.000 1.127 382 Y CA 0.241 58.432 58.100 0.152 0.000 1.288 382 Y CB 0.363 39.031 38.460 0.347 0.000 1.084 382 Y HN 0.016 nan 8.280 nan 0.000 0.530 383 T N 1.619 116.208 114.554 0.058 0.000 2.888 383 T HA -0.057 4.299 4.350 0.010 0.000 0.301 383 T C -0.255 174.155 174.700 -0.483 0.000 1.001 383 T CA -0.177 61.704 62.100 -0.365 0.000 1.147 383 T CB 0.214 68.493 68.868 -0.983 0.000 0.931 383 T HN 0.078 nan 8.240 nan 0.000 0.541 384 D N 2.278 122.392 120.400 -0.477 0.000 2.365 384 D HA 0.080 4.726 4.640 0.010 0.000 0.237 384 D C 0.097 176.111 176.300 -0.476 0.000 1.190 384 D CA -0.753 52.928 54.000 -0.531 0.000 0.867 384 D CB 0.321 40.589 40.800 -0.887 0.000 1.050 384 D HN 0.600 nan 8.370 nan 0.000 0.491 385 W N 3.171 124.398 121.300 -0.122 0.000 2.825 385 W HA 0.062 4.726 4.660 0.008 0.000 0.243 385 W C 1.826 178.252 176.519 -0.154 0.000 1.293 385 W CA -0.232 57.050 57.345 -0.106 0.000 1.403 385 W CB -0.100 29.312 29.460 -0.081 0.000 1.134 385 W HN 0.424 nan 8.180 nan 0.000 0.666 386 L N -1.285 119.880 121.223 -0.097 0.000 2.209 386 L HA -0.046 4.300 4.340 0.010 0.000 0.207 386 L C 0.365 176.890 176.870 -0.574 0.000 1.094 386 L CA 1.084 55.711 54.840 -0.353 0.000 0.790 386 L CB -0.265 41.498 42.059 -0.493 0.000 0.932 386 L HN 0.028 nan 8.230 nan 0.000 0.447 387 H N -1.890 117.097 119.070 -0.137 0.000 2.616 387 H HA 0.146 4.707 4.556 0.009 0.000 0.229 387 H C -1.841 173.372 175.328 -0.191 0.000 1.418 387 H CA -1.113 54.849 56.048 -0.143 0.000 1.248 387 H CB 0.202 29.871 29.762 -0.156 0.000 1.822 387 H HN -0.038 nan 8.280 nan 0.000 0.522 388 P HA -0.137 nan 4.420 nan 0.000 0.228 388 P C 0.735 177.949 177.300 -0.144 0.000 1.151 388 P CA 1.147 64.102 63.100 -0.241 0.000 0.770 388 P CB 0.681 32.241 31.700 -0.233 0.000 0.786 389 E N -0.405 119.759 120.200 -0.060 0.000 2.526 389 E HA 0.039 4.395 4.350 0.010 0.000 0.208 389 E C -0.081 176.497 176.600 -0.036 0.000 0.997 389 E CA -0.063 56.314 56.400 -0.039 0.000 0.961 389 E CB 0.029 29.722 29.700 -0.011 0.000 1.030 389 E HN 0.299 nan 8.360 nan 0.000 0.483 390 D N 1.917 122.302 120.400 -0.024 0.000 2.358 390 D HA 0.011 4.657 4.640 0.010 0.000 0.258 390 D C -1.638 174.635 176.300 -0.045 0.000 1.223 390 D CA -1.603 52.383 54.000 -0.023 0.000 0.886 390 D CB 1.462 42.252 40.800 -0.017 0.000 1.120 390 D HN -0.179 nan 8.370 nan 0.000 0.482 391 P HA -0.116 nan 4.420 nan 0.000 0.217 391 P C 1.159 178.395 177.300 -0.107 0.000 1.150 391 P CA 0.993 64.033 63.100 -0.100 0.000 0.832 391 P CB 0.194 31.831 31.700 -0.105 0.000 0.787 392 T N -1.699 112.811 114.554 -0.073 0.000 2.777 392 T HA -0.193 4.163 4.350 0.010 0.000 0.266 392 T C 1.757 176.438 174.700 -0.031 0.000 1.040 392 T CA 1.694 63.761 62.100 -0.054 0.000 1.141 392 T CB -1.010 67.840 68.868 -0.030 0.000 0.868 392 T HN 0.274 nan 8.240 nan 0.000 0.444 393 H N 0.873 119.882 119.070 -0.101 0.000 2.353 393 H HA 0.100 4.661 4.556 0.009 0.000 0.300 393 H C 1.995 177.235 175.328 -0.146 0.000 1.090 393 H CA 1.251 57.237 56.048 -0.103 0.000 1.327 393 H CB -0.496 29.191 29.762 -0.125 0.000 1.383 393 H HN 0.240 nan 8.280 nan 0.000 0.508 394 L N 0.126 121.180 121.223 -0.281 0.000 2.083 394 L HA -0.150 4.196 4.340 0.010 0.000 0.209 394 L C 2.898 179.657 176.870 -0.185 0.000 1.083 394 L CA 1.381 55.959 54.840 -0.436 0.000 0.752 394 L CB -0.454 41.410 42.059 -0.326 0.000 0.899 394 L HN 0.300 nan 8.230 nan 0.000 0.433 395 R N 0.509 120.953 120.500 -0.093 0.000 2.073 395 R HA -0.179 4.166 4.340 0.010 0.000 0.234 395 R C 1.505 177.890 176.300 0.141 0.000 1.134 395 R CA 2.043 58.177 56.100 0.056 0.000 0.952 395 R CB -0.373 29.844 30.300 -0.137 0.000 0.850 395 R HN 0.333 nan 8.270 nan 0.000 0.433 396 D N 0.215 120.625 120.400 0.017 0.000 2.269 396 D HA -0.030 4.616 4.640 0.010 0.000 0.208 396 D C 1.564 177.875 176.300 0.018 0.000 0.963 396 D CA 1.191 55.228 54.000 0.062 0.000 0.864 396 D CB 0.028 40.856 40.800 0.047 0.000 0.936 396 D HN 0.379 nan 8.370 nan 0.000 0.505 397 A N 0.350 123.084 122.820 -0.144 0.000 1.975 397 A HA -0.033 4.293 4.320 0.010 0.000 0.215 397 A C 2.056 179.732 177.584 0.154 0.000 1.170 397 A CA 0.697 52.703 52.037 -0.051 0.000 0.656 397 A CB -0.269 18.531 19.000 -0.333 0.000 0.821 397 A HN 0.086 nan 8.150 nan 0.000 0.449 398 M N 0.190 119.944 119.600 0.256 0.000 2.080 398 M HA -0.114 4.372 4.480 0.010 0.000 0.260 398 M C 2.303 178.641 176.300 0.065 0.000 1.068 398 M CA 2.165 57.617 55.300 0.254 0.000 1.109 398 M CB -0.657 32.143 32.600 0.334 0.000 1.342 398 M HN 0.403 nan 8.290 nan 0.000 0.405 399 S N -0.347 115.411 115.700 0.097 0.000 2.359 399 S HA -0.131 4.345 4.470 0.010 0.000 0.224 399 S C 2.055 176.716 174.600 0.102 0.000 1.035 399 S CA 1.715 59.984 58.200 0.115 0.000 1.018 399 S CB -0.645 62.687 63.200 0.221 0.000 0.876 399 S HN 0.627 nan 8.310 nan 0.000 0.448 400 A N 0.756 123.647 122.820 0.118 0.000 1.902 400 A HA 0.004 4.330 4.320 0.010 0.000 0.217 400 A C 2.378 179.986 177.584 0.041 0.000 1.181 400 A CA 1.771 53.908 52.037 0.166 0.000 0.623 400 A CB -1.092 18.108 19.000 0.334 0.000 0.818 400 A HN 0.466 nan 8.150 nan 0.000 0.443 401 V N -0.408 119.378 119.914 -0.214 0.000 2.287 401 V HA -0.245 3.881 4.120 0.010 0.000 0.248 401 V C 2.589 178.574 176.094 -0.182 0.000 1.053 401 V CA 2.137 64.222 62.300 -0.359 0.000 1.027 401 V CB -0.714 30.895 31.823 -0.356 0.000 0.646 401 V HN 0.387 nan 8.190 nan 0.000 0.447 402 V N 0.621 120.466 119.914 -0.114 0.000 2.307 402 V HA -0.126 4.000 4.120 0.010 0.000 0.245 402 V C 2.648 178.627 176.094 -0.191 0.000 1.045 402 V CA 2.055 64.280 62.300 -0.124 0.000 1.024 402 V CB -1.424 30.383 31.823 -0.027 0.000 0.651 402 V HN 0.602 nan 8.190 nan 0.000 0.449 403 G N 0.006 108.771 108.800 -0.060 0.000 2.476 403 G HA2 -0.281 3.685 3.960 0.010 0.000 0.218 403 G HA3 -0.281 3.685 3.960 0.010 0.000 0.218 403 G C 1.242 176.062 174.900 -0.132 0.000 1.164 403 G CA 1.246 46.326 45.100 -0.032 0.000 0.768 403 G HN 0.511 nan 8.290 nan 0.000 0.560 404 D N -0.369 119.956 120.400 -0.125 0.000 2.117 404 D HA -0.070 4.576 4.640 0.010 0.000 0.198 404 D C 2.114 178.088 176.300 -0.543 0.000 0.982 404 D CA 1.274 55.163 54.000 -0.185 0.000 0.828 404 D CB -0.489 40.353 40.800 0.070 0.000 0.967 404 D HN 0.432 nan 8.370 nan 0.000 0.464 405 H N 0.761 119.243 119.070 -0.980 0.000 2.423 405 H HA 0.042 4.603 4.556 0.009 0.000 0.297 405 H C 1.400 176.323 175.328 -0.674 0.000 1.075 405 H CA 1.485 56.774 56.048 -1.265 0.000 1.342 405 H CB 0.134 29.069 29.762 -1.379 0.000 1.395 405 H HN -0.017 nan 8.280 nan 0.000 0.530 406 N N -0.973 117.273 118.700 -0.756 0.000 2.414 406 N HA 0.034 4.780 4.740 0.010 0.000 0.177 406 N C 1.080 176.349 175.510 -0.402 0.000 1.062 406 N CA 0.988 53.542 53.050 -0.826 0.000 0.890 406 N CB 1.239 38.672 38.487 -1.757 0.000 1.070 406 N HN 0.268 nan 8.380 nan 0.000 0.454 407 V N -0.523 119.210 119.914 -0.301 0.000 3.279 407 V HA 0.078 4.204 4.120 0.010 0.000 0.213 407 V C 2.096 178.149 176.094 -0.067 0.000 1.335 407 V CA 0.199 62.459 62.300 -0.067 0.000 1.317 407 V CB 0.052 31.907 31.823 0.054 0.000 1.209 407 V HN -0.182 nan 8.190 nan 0.000 0.525 408 V N 0.078 119.947 119.914 -0.075 0.000 2.295 408 V HA -0.265 3.861 4.120 0.010 0.000 0.246 408 V C 2.487 178.545 176.094 -0.060 0.000 1.049 408 V CA 2.553 64.825 62.300 -0.047 0.000 1.024 408 V CB -0.661 31.162 31.823 0.000 0.000 0.648 408 V HN 0.667 nan 8.190 nan 0.000 0.447 409 c N -0.513 118.041 118.600 -0.077 0.000 2.466 409 c HA 0.021 4.597 4.570 0.010 0.000 0.278 409 c C 0.569 174.628 174.090 -0.051 0.000 1.288 409 c CA 0.728 57.041 56.329 -0.027 0.000 1.722 409 c CB -1.808 40.719 42.510 0.029 0.000 2.017 409 c HN 0.449 nan 8.230 nan 0.000 0.488 410 P HA -0.105 nan 4.420 nan 0.000 0.216 410 P C 1.754 178.998 177.300 -0.094 0.000 1.153 410 P CA 1.503 64.537 63.100 -0.110 0.000 0.858 410 P CB -0.173 31.436 31.700 -0.151 0.000 0.789 411 V N -0.092 119.768 119.914 -0.091 0.000 2.343 411 V HA -0.267 3.858 4.120 0.010 0.000 0.247 411 V C 2.441 178.447 176.094 -0.146 0.000 1.051 411 V CA 2.276 64.506 62.300 -0.116 0.000 1.036 411 V CB -1.703 30.045 31.823 -0.124 0.000 0.654 411 V HN 0.112 nan 8.190 nan 0.000 0.451 412 A N -0.432 122.318 122.820 -0.116 0.000 1.877 412 A HA -0.303 4.023 4.320 0.010 0.000 0.216 412 A C 2.191 179.752 177.584 -0.039 0.000 1.186 412 A CA 2.152 54.131 52.037 -0.098 0.000 0.620 412 A CB -0.571 18.416 19.000 -0.021 0.000 0.822 412 A HN 0.576 nan 8.150 nan 0.000 0.443 413 Q N -0.495 119.295 119.800 -0.017 0.000 2.014 413 Q HA -0.214 4.132 4.340 0.010 0.000 0.207 413 Q C 1.893 177.880 176.000 -0.022 0.000 0.993 413 Q CA 2.175 57.978 55.803 -0.000 0.000 0.850 413 Q CB -0.540 28.192 28.738 -0.010 0.000 0.916 413 Q HN 0.508 nan 8.270 nan 0.000 0.417 414 L N 0.242 121.425 121.223 -0.068 0.000 1.989 414 L HA -0.145 4.200 4.340 0.010 0.000 0.211 414 L C 2.248 179.060 176.870 -0.096 0.000 1.071 414 L CA 2.523 57.308 54.840 -0.093 0.000 0.749 414 L CB -1.206 40.781 42.059 -0.120 0.000 0.890 414 L HN 0.343 nan 8.230 nan 0.000 0.431 415 A N -0.576 122.154 122.820 -0.150 0.000 1.883 415 A HA -0.138 4.188 4.320 0.010 0.000 0.217 415 A C 2.346 179.956 177.584 0.042 0.000 1.186 415 A CA 1.885 53.795 52.037 -0.211 0.000 0.624 415 A CB -1.732 16.885 19.000 -0.637 0.000 0.822 415 A HN 0.576 nan 8.150 nan 0.000 0.444 416 G N -0.561 108.317 108.800 0.130 0.000 2.514 416 G HA2 -0.271 3.695 3.960 0.010 0.000 0.217 416 G HA3 -0.271 3.695 3.960 0.010 0.000 0.217 416 G C 1.685 176.674 174.900 0.148 0.000 1.198 416 G CA 1.035 46.281 45.100 0.243 0.000 0.780 416 G HN 0.402 nan 8.290 nan 0.000 0.565 417 R N 0.242 120.796 120.500 0.089 0.000 2.081 417 R HA 0.100 4.446 4.340 0.010 0.000 0.235 417 R C 2.738 179.108 176.300 0.116 0.000 1.131 417 R CA 0.591 56.748 56.100 0.095 0.000 0.960 417 R CB -1.282 29.066 30.300 0.080 0.000 0.856 417 R HN 0.424 nan 8.270 nan 0.000 0.436 418 L N 0.189 121.435 121.223 0.039 0.000 2.012 418 L HA -0.178 4.168 4.340 0.010 0.000 0.210 418 L C 2.563 179.500 176.870 0.111 0.000 1.073 418 L CA 1.611 56.453 54.840 0.004 0.000 0.748 418 L CB -0.733 41.231 42.059 -0.158 0.000 0.891 418 L HN 0.172 nan 8.230 nan 0.000 0.431 419 A N 0.034 122.927 122.820 0.121 0.000 1.902 419 A HA -0.162 4.164 4.320 0.010 0.000 0.217 419 A C 2.397 180.044 177.584 0.105 0.000 1.181 419 A CA 1.667 53.782 52.037 0.129 0.000 0.623 419 A CB -0.697 18.419 19.000 0.195 0.000 0.818 419 A HN 0.420 nan 8.150 nan 0.000 0.443 420 A N -1.437 121.449 122.820 0.110 0.000 2.248 420 A HA -0.005 4.320 4.320 0.010 0.000 0.210 420 A C 1.453 179.093 177.584 0.093 0.000 1.174 420 A CA 1.187 53.276 52.037 0.086 0.000 0.750 420 A CB -0.267 18.783 19.000 0.083 0.000 0.780 420 A HN 0.653 nan 8.150 nan 0.000 0.478 421 Q N -2.112 117.769 119.800 0.135 0.000 2.088 421 Q HA 0.363 4.709 4.340 0.010 0.000 0.270 421 Q C 0.722 176.814 176.000 0.153 0.000 0.854 421 Q CA 0.245 56.133 55.803 0.143 0.000 1.104 421 Q CB 0.854 29.715 28.738 0.205 0.000 1.251 421 Q HN 0.716 nan 8.270 nan 0.000 0.436 422 G N 0.713 109.586 108.800 0.122 0.000 2.259 422 G HA2 -0.258 3.708 3.960 0.010 0.000 0.217 422 G HA3 -0.258 3.708 3.960 0.010 0.000 0.217 422 G C 0.402 175.373 174.900 0.118 0.000 1.001 422 G CA -0.252 44.910 45.100 0.104 0.000 0.627 422 G HN 0.529 nan 8.290 nan 0.000 0.501 423 A N 0.297 123.209 122.820 0.154 0.000 2.445 423 A HA 0.671 4.996 4.320 0.010 0.000 0.242 423 A C 0.619 178.247 177.584 0.074 0.000 1.075 423 A CA 0.797 52.909 52.037 0.125 0.000 0.777 423 A CB 0.247 19.306 19.000 0.098 0.000 1.013 423 A HN 0.815 nan 8.150 nan 0.000 0.493 424 R N 1.715 122.256 120.500 0.068 0.000 2.202 424 R HA 0.488 4.833 4.340 0.010 0.000 0.334 424 R C -1.425 174.876 176.300 0.001 0.000 1.036 424 R CA -0.079 56.028 56.100 0.011 0.000 0.878 424 R CB 0.437 30.773 30.300 0.061 0.000 1.067 424 R HN 0.458 nan 8.270 nan 0.000 0.457 425 V N 5.981 125.831 119.914 -0.107 0.000 2.448 425 V HA 0.379 4.505 4.120 0.010 0.000 0.295 425 V C -0.997 174.954 176.094 -0.239 0.000 1.025 425 V CA -0.772 61.486 62.300 -0.070 0.000 0.859 425 V CB 1.351 33.196 31.823 0.036 0.000 0.988 425 V HN 0.650 nan 8.190 nan 0.000 0.431 426 Y N 2.317 122.588 120.300 -0.049 0.000 2.409 426 Y HA 0.794 5.349 4.550 0.008 0.000 0.339 426 Y C 0.370 176.361 175.900 0.150 0.000 1.033 426 Y CA -0.557 57.515 58.100 -0.046 0.000 1.094 426 Y CB 2.178 40.251 38.460 -0.645 0.000 1.210 426 Y HN 0.741 nan 8.280 nan 0.000 0.456 427 A N 3.193 126.404 122.820 0.653 0.000 2.393 427 A HA 0.802 5.127 4.320 0.010 0.000 0.306 427 A C -1.847 176.107 177.584 0.617 0.000 1.050 427 A CA -0.677 51.606 52.037 0.410 0.000 0.724 427 A CB 0.821 19.888 19.000 0.112 0.000 1.248 427 A HN 0.748 nan 8.150 nan 0.000 0.424 428 Y N -0.044 120.480 120.300 0.374 0.000 2.638 428 Y HA 0.825 5.380 4.550 0.008 0.000 0.339 428 Y C -1.054 175.005 175.900 0.265 0.000 1.084 428 Y CA -1.708 56.563 58.100 0.284 0.000 1.068 428 Y CB 1.466 40.087 38.460 0.268 0.000 1.294 428 Y HN 0.700 nan 8.280 nan 0.000 0.480 429 I N 2.971 123.839 120.570 0.497 0.000 2.478 429 I HA 0.442 4.618 4.170 0.010 0.000 0.287 429 I C -1.928 174.512 176.117 0.539 0.000 1.042 429 I CA -0.986 60.563 61.300 0.414 0.000 1.067 429 I CB 1.133 39.321 38.000 0.314 0.000 1.233 429 I HN 0.741 nan 8.210 nan 0.000 0.431 430 F N 7.381 127.615 119.950 0.473 0.000 2.411 430 F HA 0.410 4.944 4.527 0.011 0.000 0.350 430 F C 0.548 176.500 175.800 0.253 0.000 1.114 430 F CA 0.162 58.383 58.000 0.369 0.000 1.135 430 F CB 0.960 40.198 39.000 0.398 0.000 1.120 430 F HN 0.553 nan 8.300 nan 0.000 0.495 431 E N 3.031 123.094 120.200 -0.227 0.000 2.676 431 E HA -0.022 4.333 4.350 0.010 0.000 0.222 431 E C -0.880 175.613 176.600 -0.178 0.000 0.968 431 E CA -0.164 56.189 56.400 -0.078 0.000 1.090 431 E CB 0.308 29.985 29.700 -0.038 0.000 1.066 431 E HN 0.536 nan 8.360 nan 0.000 0.496 432 H N 1.730 120.452 119.070 -0.580 0.000 2.552 432 H HA 0.210 4.772 4.556 0.009 0.000 0.311 432 H C -0.252 175.062 175.328 -0.023 0.000 1.071 432 H CA -0.558 55.236 56.048 -0.423 0.000 1.307 432 H CB 0.511 29.806 29.762 -0.779 0.000 1.416 432 H HN -0.114 nan 8.280 nan 0.000 0.464 433 R N 4.251 124.449 120.500 -0.503 0.000 2.340 433 R HA 0.496 4.841 4.340 0.010 0.000 0.300 433 R C -0.664 175.376 176.300 -0.434 0.000 1.069 433 R CA -0.536 55.409 56.100 -0.257 0.000 0.984 433 R CB 0.502 30.727 30.300 -0.125 0.000 1.003 433 R HN 0.741 nan 8.270 nan 0.000 0.459 434 A N 3.141 126.014 122.820 0.089 0.000 2.511 434 A HA 0.039 4.365 4.320 0.010 0.000 0.242 434 A C 1.340 179.016 177.584 0.153 0.000 1.069 434 A CA 0.370 52.638 52.037 0.384 0.000 0.763 434 A CB 0.369 19.705 19.000 0.561 0.000 1.001 434 A HN 1.026 nan 8.150 nan 0.000 0.498 435 S N 1.453 117.281 115.700 0.213 0.000 2.442 435 S HA -0.162 4.314 4.470 0.010 0.000 0.236 435 S C 1.399 175.992 174.600 -0.012 0.000 1.007 435 S CA 1.710 59.964 58.200 0.089 0.000 0.965 435 S CB -0.785 62.492 63.200 0.128 0.000 0.773 435 S HN 1.255 nan 8.310 nan 0.000 0.504 436 T N -0.918 113.594 114.554 -0.070 0.000 3.107 436 T HA 0.320 4.676 4.350 0.010 0.000 0.249 436 T C 0.471 175.100 174.700 -0.118 0.000 1.096 436 T CA -0.495 61.497 62.100 -0.181 0.000 1.012 436 T CB -0.542 68.075 68.868 -0.419 0.000 0.977 436 T HN 0.268 nan 8.240 nan 0.000 0.527 437 L N 4.050 125.243 121.223 -0.050 0.000 2.559 437 L HA 0.215 4.561 4.340 0.010 0.000 0.282 437 L C 1.447 178.260 176.870 -0.095 0.000 1.232 437 L CA 1.010 55.806 54.840 -0.074 0.000 0.885 437 L CB 0.722 42.743 42.059 -0.063 0.000 1.131 437 L HN 0.443 nan 8.230 nan 0.000 0.498 438 T N -0.541 113.918 114.554 -0.159 0.000 3.054 438 T HA 0.159 4.515 4.350 0.010 0.000 0.255 438 T C 0.266 174.940 174.700 -0.043 0.000 1.035 438 T CA -0.468 61.534 62.100 -0.163 0.000 0.941 438 T CB -0.337 68.310 68.868 -0.369 0.000 1.026 438 T HN 0.432 nan 8.240 nan 0.000 0.533 439 W N 3.342 124.641 121.300 -0.003 0.000 2.237 439 W HA 0.466 5.132 4.660 0.010 0.000 0.335 439 W C -2.008 174.425 176.519 -0.143 0.000 1.230 439 W CA -2.232 55.098 57.345 -0.024 0.000 1.253 439 W CB 0.342 29.720 29.460 -0.136 0.000 1.129 439 W HN -0.051 nan 8.180 nan 0.000 0.590 440 P HA 0.023 nan 4.420 nan 0.000 0.273 440 P C 0.409 177.651 177.300 -0.098 0.000 1.250 440 P CA -0.003 63.077 63.100 -0.033 0.000 0.793 440 P CB 0.922 32.615 31.700 -0.011 0.000 1.011 441 L N -0.125 121.100 121.223 0.004 0.000 2.191 441 L HA -0.106 4.240 4.340 0.010 0.000 0.212 441 L C 2.517 179.426 176.870 0.066 0.000 1.103 441 L CA 1.266 56.124 54.840 0.030 0.000 0.769 441 L CB -0.932 41.169 42.059 0.071 0.000 0.908 441 L HN 0.597 nan 8.230 nan 0.000 0.438 442 W N -1.002 120.341 121.300 0.072 0.000 2.465 442 W HA -0.137 4.529 4.660 0.009 0.000 0.268 442 W C 1.635 178.209 176.519 0.092 0.000 1.242 442 W CA 0.525 57.917 57.345 0.078 0.000 1.248 442 W CB -0.768 28.740 29.460 0.081 0.000 1.118 442 W HN 0.180 nan 8.180 nan 0.000 0.587 443 M N 1.373 120.684 119.600 -0.483 0.000 2.618 443 M HA 0.145 4.630 4.480 0.010 0.000 0.240 443 M C 1.798 178.017 176.300 -0.135 0.000 1.123 443 M CA 1.252 56.243 55.300 -0.514 0.000 1.060 443 M CB -0.599 31.522 32.600 -0.798 0.000 1.535 443 M HN 0.189 nan 8.290 nan 0.000 0.507 444 G N 0.892 109.671 108.800 -0.035 0.000 2.596 444 G HA2 -0.297 3.669 3.960 0.010 0.000 0.304 444 G HA3 -0.297 3.669 3.960 0.010 0.000 0.304 444 G C -0.060 174.859 174.900 0.032 0.000 1.189 444 G CA 0.005 45.126 45.100 0.034 0.000 0.986 444 G HN 0.268 nan 8.290 nan 0.000 0.548 445 V N 3.308 123.281 119.914 0.098 0.000 2.259 445 V HA 0.474 4.600 4.120 0.010 0.000 0.267 445 V C -1.915 174.305 176.094 0.211 0.000 1.051 445 V CA -0.924 61.481 62.300 0.175 0.000 0.830 445 V CB 1.158 33.140 31.823 0.264 0.000 1.080 445 V HN 0.513 nan 8.190 nan 0.000 0.467 446 P HA 0.165 nan 4.420 nan 0.000 0.274 446 P C -0.065 177.437 177.300 0.337 0.000 1.237 446 P CA -0.452 62.771 63.100 0.205 0.000 0.793 446 P CB 0.333 32.077 31.700 0.073 0.000 0.977 447 H N 1.091 120.238 119.070 0.128 0.000 3.209 447 H HA 0.114 4.675 4.556 0.009 0.000 0.297 447 H C 1.639 176.895 175.328 -0.121 0.000 0.936 447 H CA 2.518 58.582 56.048 0.028 0.000 1.392 447 H CB -0.705 29.026 29.762 -0.051 0.000 1.349 447 H HN 0.768 nan 8.280 nan 0.000 0.568 448 G N 3.357 111.918 108.800 -0.398 0.000 2.195 448 G HA2 -0.331 3.635 3.960 0.010 0.000 0.246 448 G HA3 -0.331 3.635 3.960 0.010 0.000 0.246 448 G C 0.648 175.392 174.900 -0.260 0.000 0.984 448 G CA 0.407 45.257 45.100 -0.416 0.000 0.633 448 G HN 0.662 nan 8.290 nan 0.000 0.525 449 Y N 1.470 121.837 120.300 0.111 0.000 2.470 449 Y HA 0.225 4.780 4.550 0.009 0.000 0.284 449 Y C 2.347 178.324 175.900 0.129 0.000 1.188 449 Y CA 0.944 59.169 58.100 0.208 0.000 1.269 449 Y CB 0.418 39.045 38.460 0.278 0.000 1.094 449 Y HN 0.498 nan 8.280 nan 0.000 0.518 450 E N 0.192 120.298 120.200 -0.156 0.000 2.340 450 E HA -0.063 4.293 4.350 0.010 0.000 0.194 450 E C 1.634 178.116 176.600 -0.196 0.000 0.996 450 E CA 0.620 56.615 56.400 -0.674 0.000 0.869 450 E CB -0.448 28.500 29.700 -1.253 0.000 0.835 450 E HN 0.531 nan 8.360 nan 0.000 0.493 451 I N 2.965 123.504 120.570 -0.051 0.000 2.118 451 I HA -0.336 3.840 4.170 0.010 0.000 0.241 451 I C 2.760 178.868 176.117 -0.015 0.000 1.070 451 I CA 2.308 63.624 61.300 0.027 0.000 1.327 451 I CB -0.583 37.485 38.000 0.113 0.000 1.034 451 I HN 0.218 nan 8.210 nan 0.000 0.405 452 E N 1.136 121.269 120.200 -0.112 0.000 2.219 452 E HA -0.249 4.106 4.350 0.010 0.000 0.198 452 E C 2.058 178.399 176.600 -0.433 0.000 0.998 452 E CA 1.566 57.797 56.400 -0.282 0.000 0.818 452 E CB -0.558 28.946 29.700 -0.325 0.000 0.741 452 E HN 0.465 nan 8.360 nan 0.000 0.477 453 F N 1.586 121.420 119.950 -0.193 0.000 2.098 453 F HA -0.062 4.473 4.527 0.012 0.000 0.294 453 F C 2.484 178.052 175.800 -0.386 0.000 1.107 453 F CA 0.659 58.486 58.000 -0.287 0.000 1.234 453 F CB -0.296 38.602 39.000 -0.170 0.000 1.002 453 F HN -0.066 nan 8.300 nan 0.000 0.472 454 I N -0.653 119.752 120.570 -0.276 0.000 2.236 454 I HA -0.328 3.848 4.170 0.010 0.000 0.249 454 I C 2.147 178.021 176.117 -0.404 0.000 1.102 454 I CA 1.903 62.879 61.300 -0.541 0.000 1.365 454 I CB -1.502 36.070 38.000 -0.714 0.000 1.051 454 I HN 0.114 nan 8.210 nan 0.000 0.420 455 F N 0.685 120.454 119.950 -0.301 0.000 2.743 455 F HA 0.239 4.772 4.527 0.010 0.000 0.297 455 F C 1.877 177.550 175.800 -0.211 0.000 1.131 455 F CA 0.814 58.685 58.000 -0.216 0.000 1.426 455 F CB -0.097 38.764 39.000 -0.232 0.000 1.116 455 F HN 0.285 nan 8.300 nan 0.000 0.583 456 G N 0.383 109.033 108.800 -0.250 0.000 2.160 456 G HA2 -0.266 3.700 3.960 0.010 0.000 0.244 456 G HA3 -0.266 3.700 3.960 0.010 0.000 0.244 456 G C 1.110 175.405 174.900 -1.009 0.000 1.022 456 G CA 0.351 45.158 45.100 -0.489 0.000 0.741 456 G HN 0.332 nan 8.290 nan 0.000 0.508 457 L N -0.475 120.230 121.223 -0.864 0.000 2.042 457 L HA -0.102 4.244 4.340 0.010 0.000 0.210 457 L C 0.373 176.712 176.870 -0.886 0.000 1.076 457 L CA 2.281 56.569 54.840 -0.921 0.000 0.749 457 L CB -1.699 40.082 42.059 -0.464 0.000 0.893 457 L HN 0.200 nan 8.230 nan 0.000 0.432 458 P HA -0.192 nan 4.420 nan 0.000 0.219 458 P C 1.880 178.924 177.300 -0.427 0.000 1.144 458 P CA 1.275 63.801 63.100 -0.957 0.000 0.806 458 P CB -0.020 31.122 31.700 -0.930 0.000 0.771 459 L N -1.544 119.368 121.223 -0.519 0.000 2.362 459 L HA -0.074 4.272 4.340 0.010 0.000 0.219 459 L C 1.044 177.805 176.870 -0.181 0.000 1.134 459 L CA 0.560 55.210 54.840 -0.317 0.000 0.807 459 L CB -0.748 41.124 42.059 -0.311 0.000 0.927 459 L HN -0.006 nan 8.230 nan 0.000 0.447 460 D N 0.447 120.715 120.400 -0.220 0.000 2.352 460 D HA 0.078 4.723 4.640 0.010 0.000 0.245 460 D C -1.589 174.719 176.300 0.015 0.000 1.224 460 D CA -2.114 51.883 54.000 -0.004 0.000 0.879 460 D CB 1.483 42.328 40.800 0.075 0.000 1.057 460 D HN -0.105 nan 8.370 nan 0.000 0.491 461 P HA -0.162 nan 4.420 nan 0.000 0.217 461 P C 1.196 178.509 177.300 0.021 0.000 1.148 461 P CA 1.105 64.219 63.100 0.023 0.000 0.828 461 P CB 0.077 31.788 31.700 0.018 0.000 0.783 462 S N -1.578 114.133 115.700 0.019 0.000 2.603 462 S HA -0.011 4.465 4.470 0.010 0.000 0.229 462 S C 1.500 176.094 174.600 -0.010 0.000 0.972 462 S CA 0.557 58.758 58.200 0.003 0.000 0.935 462 S CB -1.238 61.964 63.200 0.003 0.000 0.769 462 S HN 0.119 nan 8.310 nan 0.000 0.536 463 L N 0.376 121.606 121.223 0.013 0.000 2.607 463 L HA 0.259 4.605 4.340 0.010 0.000 0.228 463 L C 0.306 177.093 176.870 -0.138 0.000 1.123 463 L CA -0.092 54.735 54.840 -0.022 0.000 0.890 463 L CB -0.481 41.637 42.059 0.097 0.000 1.103 463 L HN 0.229 nan 8.230 nan 0.000 0.468 464 N N -1.972 116.688 118.700 -0.066 0.000 2.878 464 N HA -0.226 4.520 4.740 0.010 0.000 0.247 464 N C -0.281 175.163 175.510 -0.111 0.000 1.021 464 N CA 0.846 53.837 53.050 -0.098 0.000 0.873 464 N CB -1.728 36.677 38.487 -0.136 0.000 1.128 464 N HN 0.261 nan 8.380 nan 0.000 0.571 465 Y N 1.486 121.772 120.300 -0.024 0.000 2.457 465 Y HA 0.110 4.666 4.550 0.010 0.000 0.341 465 Y C 1.952 177.873 175.900 0.036 0.000 1.240 465 Y CA 0.480 58.591 58.100 0.019 0.000 1.437 465 Y CB 0.364 38.820 38.460 -0.007 0.000 1.328 465 Y HN 0.082 nan 8.280 nan 0.000 0.588 466 T N -2.047 112.649 114.554 0.238 0.000 2.860 466 T HA 0.037 4.393 4.350 0.010 0.000 0.299 466 T C 1.208 175.987 174.700 0.131 0.000 1.045 466 T CA -0.283 61.906 62.100 0.148 0.000 1.071 466 T CB 0.946 69.897 68.868 0.137 0.000 0.985 466 T HN 0.754 nan 8.240 nan 0.000 0.537 467 T N 2.059 116.661 114.554 0.080 0.000 2.653 467 T HA -0.160 4.196 4.350 0.010 0.000 0.268 467 T C 1.773 176.508 174.700 0.059 0.000 1.035 467 T CA 2.227 64.361 62.100 0.057 0.000 1.154 467 T CB -0.531 68.358 68.868 0.035 0.000 0.862 467 T HN 0.827 nan 8.240 nan 0.000 0.441 468 E N 1.065 121.297 120.200 0.053 0.000 2.118 468 E HA -0.124 4.232 4.350 0.010 0.000 0.195 468 E C 2.207 178.848 176.600 0.068 0.000 0.992 468 E CA 1.077 57.495 56.400 0.030 0.000 0.804 468 E CB -0.224 29.469 29.700 -0.013 0.000 0.741 468 E HN 0.588 nan 8.360 nan 0.000 0.458 469 E N 0.375 120.659 120.200 0.139 0.000 2.077 469 E HA -0.144 4.212 4.350 0.010 0.000 0.193 469 E C 2.130 178.857 176.600 0.213 0.000 0.989 469 E CA 0.725 57.298 56.400 0.288 0.000 0.800 469 E CB -0.038 29.953 29.700 0.485 0.000 0.746 469 E HN 0.139 nan 8.360 nan 0.000 0.452 470 R N 0.342 120.899 120.500 0.095 0.000 2.083 470 R HA -0.161 4.185 4.340 0.010 0.000 0.237 470 R C 2.337 178.643 176.300 0.009 0.000 1.137 470 R CA 1.383 57.484 56.100 0.001 0.000 0.951 470 R CB -0.310 29.986 30.300 -0.006 0.000 0.851 470 R HN 0.172 nan 8.270 nan 0.000 0.434 471 I N -0.359 120.238 120.570 0.046 0.000 2.226 471 I HA -0.281 3.895 4.170 0.010 0.000 0.245 471 I C 2.103 178.263 176.117 0.073 0.000 1.100 471 I CA 1.032 62.355 61.300 0.038 0.000 1.374 471 I CB -0.263 37.759 38.000 0.037 0.000 1.057 471 I HN 0.100 nan 8.210 nan 0.000 0.413 472 F N 1.867 121.780 119.950 -0.062 0.000 2.095 472 F HA -0.248 4.284 4.527 0.009 0.000 0.298 472 F C 2.440 178.230 175.800 -0.016 0.000 1.104 472 F CA 1.262 59.216 58.000 -0.076 0.000 1.232 472 F CB -0.759 38.138 39.000 -0.173 0.000 0.987 472 F HN 0.034 nan 8.300 nan 0.000 0.475 473 A N 0.190 122.946 122.820 -0.106 0.000 1.892 473 A HA -0.288 4.038 4.320 0.010 0.000 0.218 473 A C 2.160 179.605 177.584 -0.233 0.000 1.188 473 A CA 2.080 53.991 52.037 -0.209 0.000 0.631 473 A CB -1.049 17.831 19.000 -0.199 0.000 0.822 473 A HN 0.618 nan 8.150 nan 0.000 0.447 474 Q N -1.029 118.676 119.800 -0.159 0.000 2.096 474 Q HA -0.208 4.137 4.340 0.010 0.000 0.204 474 Q C 2.406 178.301 176.000 -0.176 0.000 0.982 474 Q CA 1.670 57.389 55.803 -0.140 0.000 0.850 474 Q CB -0.214 28.470 28.738 -0.090 0.000 0.901 474 Q HN 0.627 nan 8.270 nan 0.000 0.422 475 R N 0.369 120.756 120.500 -0.190 0.000 2.094 475 R HA -0.154 4.192 4.340 0.010 0.000 0.239 475 R C 2.293 178.340 176.300 -0.422 0.000 1.137 475 R CA 1.412 57.328 56.100 -0.306 0.000 0.943 475 R CB -0.294 29.909 30.300 -0.162 0.000 0.850 475 R HN 0.255 nan 8.270 nan 0.000 0.433 476 L N -0.177 120.880 121.223 -0.275 0.000 2.093 476 L HA -0.190 4.156 4.340 0.010 0.000 0.208 476 L C 2.540 179.372 176.870 -0.064 0.000 1.085 476 L CA 1.246 56.023 54.840 -0.105 0.000 0.755 476 L CB -0.321 41.505 42.059 -0.388 0.000 0.904 476 L HN 0.292 nan 8.230 nan 0.000 0.435 477 M N -0.668 118.828 119.600 -0.173 0.000 2.117 477 M HA -0.203 4.283 4.480 0.010 0.000 0.262 477 M C 2.339 178.627 176.300 -0.021 0.000 1.065 477 M CA 1.637 56.867 55.300 -0.118 0.000 1.114 477 M CB -0.284 32.231 32.600 -0.142 0.000 1.361 477 M HN 0.072 nan 8.290 nan 0.000 0.408 478 K N -0.256 120.093 120.400 -0.085 0.000 2.057 478 K HA -0.161 4.165 4.320 0.010 0.000 0.207 478 K C 1.900 178.531 176.600 0.053 0.000 1.049 478 K CA 1.694 57.937 56.287 -0.074 0.000 0.931 478 K CB -0.465 31.923 32.500 -0.187 0.000 0.714 478 K HN 0.332 nan 8.250 nan 0.000 0.440 479 Y N -0.104 120.312 120.300 0.194 0.000 2.114 479 Y HA -0.219 4.338 4.550 0.012 0.000 0.284 479 Y C 2.470 178.505 175.900 0.225 0.000 1.143 479 Y CA 0.779 59.033 58.100 0.257 0.000 1.135 479 Y CB -0.902 37.860 38.460 0.504 0.000 0.980 479 Y HN 0.212 nan 8.280 nan 0.000 0.499 480 W N 0.612 121.978 121.300 0.110 0.000 2.333 480 W HA -0.253 4.412 4.660 0.008 0.000 0.316 480 W C 2.518 179.028 176.519 -0.015 0.000 1.215 480 W CA 2.255 59.596 57.345 -0.008 0.000 1.278 480 W CB -0.724 28.647 29.460 -0.150 0.000 1.154 480 W HN 0.233 nan 8.180 nan 0.000 0.486 481 T N -2.254 112.394 114.554 0.158 0.000 2.951 481 T HA -0.121 4.235 4.350 0.010 0.000 0.268 481 T C 1.358 176.078 174.700 0.034 0.000 1.073 481 T CA 1.161 63.291 62.100 0.049 0.000 1.134 481 T CB -0.484 68.392 68.868 0.013 0.000 0.884 481 T HN -0.067 nan 8.240 nan 0.000 0.479 482 N N 0.984 119.720 118.700 0.061 0.000 2.106 482 N HA 0.033 4.778 4.740 0.010 0.000 0.188 482 N C 1.341 176.836 175.510 -0.024 0.000 1.029 482 N CA 0.949 54.012 53.050 0.021 0.000 0.848 482 N CB -0.745 37.770 38.487 0.047 0.000 1.007 482 N HN 0.464 nan 8.380 nan 0.000 0.423 483 F N 1.882 121.738 119.950 -0.157 0.000 2.095 483 F HA -0.177 4.356 4.527 0.010 0.000 0.298 483 F C 2.173 177.889 175.800 -0.140 0.000 1.104 483 F CA 1.572 59.432 58.000 -0.234 0.000 1.232 483 F CB -0.529 38.241 39.000 -0.384 0.000 0.987 483 F HN 0.051 nan 8.300 nan 0.000 0.475 484 A N 0.577 123.333 122.820 -0.106 0.000 1.917 484 A HA -0.240 4.086 4.320 0.010 0.000 0.219 484 A C 2.355 179.834 177.584 -0.175 0.000 1.182 484 A CA 2.041 53.994 52.037 -0.140 0.000 0.633 484 A CB -0.769 18.212 19.000 -0.031 0.000 0.819 484 A HN 0.507 nan 8.150 nan 0.000 0.448 485 R N -1.401 119.020 120.500 -0.132 0.000 2.073 485 R HA -0.056 4.289 4.340 0.010 0.000 0.229 485 R C 1.922 178.136 176.300 -0.144 0.000 1.120 485 R CA 1.790 57.826 56.100 -0.106 0.000 0.967 485 R CB -0.195 30.069 30.300 -0.061 0.000 0.862 485 R HN 0.737 nan 8.270 nan 0.000 0.436 486 T N -5.437 109.001 114.554 -0.193 0.000 3.041 486 T HA 0.238 4.594 4.350 0.010 0.000 0.276 486 T C 1.143 175.714 174.700 -0.215 0.000 0.948 486 T CA 0.365 62.368 62.100 -0.161 0.000 0.885 486 T CB 1.342 70.149 68.868 -0.102 0.000 1.175 486 T HN 0.321 nan 8.240 nan 0.000 0.529 487 G N 1.259 109.801 108.800 -0.430 0.000 2.148 487 G HA2 -0.183 3.783 3.960 0.010 0.000 0.254 487 G HA3 -0.183 3.783 3.960 0.010 0.000 0.254 487 G C -0.340 174.457 174.900 -0.172 0.000 0.981 487 G CA 0.272 45.075 45.100 -0.495 0.000 0.670 487 G HN 0.773 nan 8.290 nan 0.000 0.528 488 D N -0.648 119.641 120.400 -0.185 0.000 2.736 488 D HA 0.415 5.061 4.640 0.010 0.000 0.243 488 D C -1.482 174.657 176.300 -0.268 0.000 1.304 488 D CA -1.493 52.374 54.000 -0.222 0.000 0.934 488 D CB 2.085 42.843 40.800 -0.071 0.000 1.382 488 D HN 0.007 nan 8.370 nan 0.000 0.571 489 P HA -0.043 nan 4.420 nan 0.000 0.233 489 P C 0.171 177.489 177.300 0.030 0.000 1.167 489 P CA 0.189 63.102 63.100 -0.310 0.000 0.770 489 P CB 0.500 31.664 31.700 -0.893 0.000 0.837 490 N N 1.096 119.780 118.700 -0.026 0.000 2.467 490 N HA 0.035 4.781 4.740 0.010 0.000 0.262 490 N C -0.005 175.573 175.510 0.113 0.000 1.234 490 N CA 0.265 53.399 53.050 0.141 0.000 0.952 490 N CB 0.539 39.099 38.487 0.122 0.000 1.158 490 N HN -0.006 nan 8.380 nan 0.000 0.463 491 D N 0.810 121.287 120.400 0.129 0.000 2.313 491 D HA 0.191 4.837 4.640 0.010 0.000 0.239 491 D C -1.547 174.792 176.300 0.064 0.000 1.142 491 D CA -1.716 52.330 54.000 0.077 0.000 0.847 491 D CB 1.502 42.340 40.800 0.065 0.000 1.082 491 D HN 0.206 nan 8.370 nan 0.000 0.480 492 P HA -0.067 nan 4.420 nan 0.000 0.218 492 P C 0.975 178.297 177.300 0.037 0.000 1.149 492 P CA 0.980 64.103 63.100 0.039 0.000 0.817 492 P CB 0.608 32.322 31.700 0.024 0.000 0.785 493 R N -0.108 120.411 120.500 0.033 0.000 2.082 493 R HA -0.030 4.316 4.340 0.010 0.000 0.218 493 R C 1.179 177.502 176.300 0.038 0.000 1.171 493 R CA 1.011 57.129 56.100 0.030 0.000 0.914 493 R CB -1.568 28.746 30.300 0.024 0.000 0.806 493 R HN 0.022 nan 8.270 nan 0.000 0.453 494 D N 1.239 121.663 120.400 0.040 0.000 2.641 494 D HA -0.056 4.590 4.640 0.010 0.000 0.241 494 D C 0.254 176.591 176.300 0.062 0.000 1.182 494 D CA 0.149 54.177 54.000 0.046 0.000 1.329 494 D CB -0.012 40.814 40.800 0.043 0.000 1.139 494 D HN 0.311 nan 8.370 nan 0.000 0.492 495 S N 1.155 116.889 115.700 0.057 0.000 2.527 495 S HA -0.046 4.430 4.470 0.010 0.000 0.222 495 S C 1.663 176.300 174.600 0.063 0.000 0.985 495 S CA 0.063 58.302 58.200 0.065 0.000 0.921 495 S CB 0.151 63.385 63.200 0.056 0.000 0.772 495 S HN 0.302 nan 8.310 nan 0.000 0.529 496 K N 2.512 122.944 120.400 0.053 0.000 1.973 496 K HA -0.038 4.288 4.320 0.010 0.000 0.212 496 K C 1.286 177.920 176.600 0.056 0.000 1.047 496 K CA 1.277 57.593 56.287 0.048 0.000 0.937 496 K CB -0.562 31.960 32.500 0.038 0.000 0.721 496 K HN 0.540 nan 8.250 nan 0.000 0.440 497 S N 2.198 117.935 115.700 0.062 0.000 2.558 497 S HA 0.056 4.531 4.470 0.010 0.000 0.287 497 S C -2.441 172.218 174.600 0.098 0.000 1.321 497 S CA -1.400 56.845 58.200 0.075 0.000 1.048 497 S CB 0.167 63.416 63.200 0.080 0.000 0.844 497 S HN -0.067 nan 8.310 nan 0.000 0.512 498 P HA 0.160 nan 4.420 nan 0.000 0.268 498 P C -0.441 176.946 177.300 0.145 0.000 1.208 498 P CA -0.160 62.999 63.100 0.099 0.000 0.777 498 P CB 0.331 32.073 31.700 0.070 0.000 0.875 499 Q N 0.685 120.571 119.800 0.144 0.000 2.230 499 Q HA 0.204 4.550 4.340 0.010 0.000 0.248 499 Q C -0.784 175.375 176.000 0.264 0.000 0.915 499 Q CA -0.099 55.825 55.803 0.203 0.000 0.900 499 Q CB 1.103 29.945 28.738 0.173 0.000 1.229 499 Q HN 0.556 nan 8.270 nan 0.000 0.439 500 W N 6.131 127.497 121.300 0.110 0.000 2.311 500 W HA 0.338 5.003 4.660 0.009 0.000 0.317 500 W C -2.468 174.201 176.519 0.250 0.000 1.065 500 W CA -2.478 54.946 57.345 0.133 0.000 1.364 500 W CB 0.564 30.051 29.460 0.045 0.000 1.233 500 W HN 0.369 nan 8.180 nan 0.000 0.409 501 P HA 0.282 nan 4.420 nan 0.000 0.282 501 P C -2.559 174.961 177.300 0.367 0.000 1.249 501 P CA -1.706 61.622 63.100 0.378 0.000 0.806 501 P CB 0.753 32.587 31.700 0.224 0.000 0.984 502 P HA -0.018 nan 4.420 nan 0.000 0.267 502 P C -0.642 176.676 177.300 0.030 0.000 1.201 502 P CA 0.296 63.219 63.100 -0.295 0.000 0.775 502 P CB 0.054 31.558 31.700 -0.328 0.000 0.854 503 Y N 2.186 122.446 120.300 -0.067 0.000 2.359 503 Y HA 0.374 4.932 4.550 0.014 0.000 0.334 503 Y C 0.234 176.132 175.900 -0.003 0.000 1.058 503 Y CA 0.269 58.391 58.100 0.037 0.000 1.244 503 Y CB 0.314 38.818 38.460 0.074 0.000 1.187 503 Y HN 0.366 nan 8.280 nan 0.000 0.510 504 T N 0.347 114.634 114.554 -0.446 0.000 2.916 504 T HA 0.244 4.599 4.350 0.010 0.000 0.292 504 T C 0.982 175.395 174.700 -0.478 0.000 1.055 504 T CA -0.190 61.715 62.100 -0.325 0.000 1.009 504 T CB 1.332 70.106 68.868 -0.157 0.000 1.118 504 T HN 0.679 nan 8.240 nan 0.000 0.497 505 T N -0.561 113.859 114.554 -0.224 0.000 2.788 505 T HA -0.053 4.303 4.350 0.010 0.000 0.268 505 T C 2.291 176.920 174.700 -0.119 0.000 1.044 505 T CA 1.035 63.050 62.100 -0.141 0.000 1.139 505 T CB -0.893 67.960 68.868 -0.025 0.000 0.867 505 T HN 0.851 nan 8.240 nan 0.000 0.454 506 A N 1.565 124.326 122.820 -0.097 0.000 1.898 506 A HA 0.485 4.810 4.320 0.010 0.000 0.216 506 A C 2.576 180.117 177.584 -0.071 0.000 1.181 506 A CA 1.685 53.685 52.037 -0.062 0.000 0.620 506 A CB -0.945 18.031 19.000 -0.040 0.000 0.819 506 A HN 0.810 nan 8.150 nan 0.000 0.442 507 A N -2.601 120.150 122.820 -0.116 0.000 2.259 507 A HA 0.371 4.697 4.320 0.010 0.000 0.213 507 A C 0.807 178.330 177.584 -0.101 0.000 1.209 507 A CA 0.698 52.686 52.037 -0.082 0.000 0.910 507 A CB -0.048 18.921 19.000 -0.052 0.000 0.946 507 A HN 0.439 nan 8.150 nan 0.000 0.497 508 Q N 0.208 119.836 119.800 -0.287 0.000 2.439 508 Q HA -0.219 4.127 4.340 0.010 0.000 0.325 508 Q C -0.697 175.371 176.000 0.114 0.000 1.372 508 Q CA 0.687 56.299 55.803 -0.319 0.000 0.909 508 Q CB -1.513 27.226 28.738 0.001 0.000 1.167 508 Q HN 0.810 nan 8.270 nan 0.000 0.418 509 Q N 0.549 120.408 119.800 0.097 0.000 2.267 509 Q HA 0.493 4.838 4.340 0.010 0.000 0.255 509 Q C -0.481 175.815 176.000 0.494 0.000 0.923 509 Q CA -0.199 55.748 55.803 0.240 0.000 0.925 509 Q CB 0.717 29.534 28.738 0.132 0.000 1.195 509 Q HN 0.358 nan 8.270 nan 0.000 0.417 510 Y N -1.218 119.219 120.300 0.228 0.000 2.677 510 Y HA 0.760 5.321 4.550 0.019 0.000 0.334 510 Y C -1.058 174.846 175.900 0.007 0.000 1.154 510 Y CA -1.529 56.689 58.100 0.196 0.000 1.070 510 Y CB 0.552 39.120 38.460 0.180 0.000 1.294 510 Y HN 0.324 nan 8.280 nan 0.000 0.475 511 V N -0.542 119.300 119.914 -0.120 0.000 2.864 511 V HA 0.821 4.947 4.120 0.010 0.000 0.314 511 V C -0.245 175.756 176.094 -0.156 0.000 1.073 511 V CA -0.649 61.426 62.300 -0.375 0.000 0.956 511 V CB 1.237 32.577 31.823 -0.805 0.000 1.023 511 V HN 1.172 nan 8.190 nan 0.000 0.435 512 S N 3.868 119.475 115.700 -0.155 0.000 2.545 512 S HA 0.698 5.174 4.470 0.010 0.000 0.275 512 S C -0.432 174.125 174.600 -0.072 0.000 1.299 512 S CA -0.646 57.534 58.200 -0.035 0.000 1.048 512 S CB 0.580 63.752 63.200 -0.047 0.000 0.938 512 S HN 0.761 nan 8.310 nan 0.000 0.496 513 L N 3.950 125.176 121.223 0.004 0.000 2.276 513 L HA 0.529 4.875 4.340 0.010 0.000 0.286 513 L C -0.259 176.492 176.870 -0.198 0.000 1.024 513 L CA -0.459 54.394 54.840 0.022 0.000 0.826 513 L CB 0.209 42.375 42.059 0.177 0.000 1.211 513 L HN 0.945 nan 8.230 nan 0.000 0.422 514 N N 2.090 120.605 118.700 -0.309 0.000 3.449 514 N HA 0.353 5.099 4.740 0.010 0.000 0.312 514 N C 0.220 175.165 175.510 -0.943 0.000 1.582 514 N CA -0.973 51.650 53.050 -0.711 0.000 0.850 514 N CB 0.655 38.913 38.487 -0.382 0.000 1.822 514 N HN 0.184 nan 8.380 nan 0.000 0.577 515 L N -0.814 119.901 121.223 -0.846 0.000 2.141 515 L HA 0.076 4.422 4.340 0.010 0.000 0.209 515 L C 0.639 177.320 176.870 -0.315 0.000 1.094 515 L CA 1.027 55.464 54.840 -0.670 0.000 0.763 515 L CB -0.475 41.293 42.059 -0.486 0.000 0.908 515 L HN 0.417 nan 8.230 nan 0.000 0.437 516 K N 0.063 120.324 120.400 -0.232 0.000 2.180 516 K HA 0.179 4.505 4.320 0.010 0.000 0.251 516 K C -2.125 174.432 176.600 -0.071 0.000 1.014 516 K CA -1.643 54.572 56.287 -0.120 0.000 0.913 516 K CB 0.007 32.448 32.500 -0.098 0.000 1.008 516 K HN -0.177 nan 8.250 nan 0.000 0.490 517 P HA -0.018 nan 4.420 nan 0.000 0.271 517 P C -0.463 176.840 177.300 0.004 0.000 1.233 517 P CA -0.229 62.881 63.100 0.017 0.000 0.789 517 P CB 0.383 32.096 31.700 0.022 0.000 0.951 518 L N 1.034 122.277 121.223 0.033 0.000 2.640 518 L HA -0.058 4.288 4.340 0.010 0.000 0.280 518 L C 1.119 177.954 176.870 -0.058 0.000 1.229 518 L CA 0.897 55.717 54.840 -0.034 0.000 0.919 518 L CB -0.351 41.691 42.059 -0.029 0.000 1.168 518 L HN 0.496 nan 8.230 nan 0.000 0.496 519 E N 3.211 123.350 120.200 -0.101 0.000 2.212 519 E HA 0.451 4.807 4.350 0.010 0.000 0.268 519 E C -1.453 175.051 176.600 -0.160 0.000 0.902 519 E CA -0.781 55.559 56.400 -0.101 0.000 0.779 519 E CB 2.135 31.782 29.700 -0.088 0.000 1.172 519 E HN 0.294 nan 8.360 nan 0.000 0.409 520 V N 4.788 124.619 119.914 -0.139 0.000 2.394 520 V HA 0.467 4.593 4.120 0.010 0.000 0.282 520 V C 0.132 176.091 176.094 -0.225 0.000 1.031 520 V CA -0.460 61.733 62.300 -0.179 0.000 0.881 520 V CB 1.255 33.030 31.823 -0.079 0.000 0.982 520 V HN 0.684 nan 8.190 nan 0.000 0.451 521 R N 3.479 123.721 120.500 -0.430 0.000 2.892 521 R HA 0.788 5.134 4.340 0.010 0.000 0.265 521 R C -0.873 175.236 176.300 -0.318 0.000 1.025 521 R CA -1.068 54.759 56.100 -0.454 0.000 0.982 521 R CB 2.418 32.297 30.300 -0.702 0.000 1.185 521 R HN 0.567 nan 8.270 nan 0.000 0.484 522 R N -0.367 120.111 120.500 -0.037 0.000 2.621 522 R HA 0.498 4.843 4.340 0.010 0.000 0.292 522 R C -0.998 175.477 176.300 0.292 0.000 0.969 522 R CA -0.139 56.044 56.100 0.137 0.000 0.887 522 R CB 2.291 32.634 30.300 0.072 0.000 1.180 522 R HN 0.879 nan 8.270 nan 0.000 0.450 523 G N 2.364 111.378 108.800 0.357 0.000 3.396 523 G HA2 -0.203 3.763 3.960 0.010 0.000 0.682 523 G HA3 -0.203 3.763 3.960 0.010 0.000 0.682 523 G C -1.187 173.906 174.900 0.322 0.000 0.924 523 G CA -0.943 44.340 45.100 0.305 0.000 0.770 523 G HN 0.349 nan 8.290 nan 0.000 0.484 524 L N 4.407 125.732 121.223 0.170 0.000 2.375 524 L HA 0.447 4.793 4.340 0.010 0.000 0.276 524 L C 1.608 178.495 176.870 0.029 0.000 1.162 524 L CA -0.296 54.492 54.840 -0.086 0.000 0.991 524 L CB -0.497 41.464 42.059 -0.164 0.000 1.315 524 L HN 0.719 nan 8.230 nan 0.000 0.431 525 R N 2.280 122.831 120.500 0.084 0.000 3.251 525 R HA -0.268 4.078 4.340 0.010 0.000 0.249 525 R C 1.340 177.735 176.300 0.158 0.000 0.949 525 R CA 0.687 56.869 56.100 0.138 0.000 0.645 525 R CB -1.921 28.468 30.300 0.148 0.000 1.065 525 R HN 0.690 nan 8.270 nan 0.000 0.452 526 A N 0.560 123.472 122.820 0.154 0.000 1.908 526 A HA -0.240 4.086 4.320 0.010 0.000 0.218 526 A C 2.068 179.744 177.584 0.154 0.000 1.181 526 A CA 1.213 53.340 52.037 0.150 0.000 0.627 526 A CB -0.083 19.000 19.000 0.140 0.000 0.818 526 A HN 0.403 nan 8.150 nan 0.000 0.445 527 Q N -0.563 119.327 119.800 0.150 0.000 2.016 527 Q HA -0.110 4.236 4.340 0.010 0.000 0.200 527 Q C 2.283 178.406 176.000 0.205 0.000 0.978 527 Q CA 2.191 58.087 55.803 0.154 0.000 0.833 527 Q CB -1.241 27.574 28.738 0.130 0.000 0.895 527 Q HN 0.654 nan 8.270 nan 0.000 0.427 528 T N 0.438 115.141 114.554 0.248 0.000 2.788 528 T HA -0.116 4.240 4.350 0.010 0.000 0.268 528 T C 2.029 176.956 174.700 0.379 0.000 1.044 528 T CA 1.151 63.438 62.100 0.311 0.000 1.139 528 T CB -0.297 68.800 68.868 0.382 0.000 0.867 528 T HN 0.299 nan 8.240 nan 0.000 0.454 529 c N 1.537 120.338 118.600 0.335 0.000 2.446 529 c HA 0.265 4.840 4.570 0.010 0.000 0.279 529 c C 3.136 177.388 174.090 0.270 0.000 1.366 529 c CA -0.057 56.480 56.329 0.347 0.000 1.763 529 c CB -1.389 41.257 42.510 0.227 0.000 1.929 529 c HN 0.645 nan 8.230 nan 0.000 0.509 530 A N 0.221 123.167 122.820 0.210 0.000 1.940 530 A HA -0.213 4.113 4.320 0.010 0.000 0.219 530 A C 1.868 179.551 177.584 0.166 0.000 1.176 530 A CA 1.662 53.798 52.037 0.165 0.000 0.631 530 A CB -0.781 18.303 19.000 0.139 0.000 0.814 530 A HN 0.564 nan 8.150 nan 0.000 0.446 531 F N -0.848 119.090 119.950 -0.020 0.000 2.102 531 F HA -0.159 4.373 4.527 0.008 0.000 0.298 531 F C 1.908 177.644 175.800 -0.106 0.000 1.105 531 F CA 1.737 59.642 58.000 -0.158 0.000 1.239 531 F CB -0.486 38.160 39.000 -0.590 0.000 0.991 531 F HN 0.377 nan 8.300 nan 0.000 0.474 532 W N 0.548 121.813 121.300 -0.059 0.000 2.409 532 W HA -0.096 4.568 4.660 0.007 0.000 0.299 532 W C 2.195 178.651 176.519 -0.105 0.000 1.203 532 W CA 0.980 58.248 57.345 -0.130 0.000 1.298 532 W CB -0.584 28.928 29.460 0.086 0.000 1.127 532 W HN -0.045 nan 8.180 nan 0.000 0.528 533 N N -0.332 118.483 118.700 0.191 0.000 2.368 533 N HA 0.031 4.777 4.740 0.010 0.000 0.176 533 N C 1.553 177.094 175.510 0.053 0.000 1.021 533 N CA 0.944 54.061 53.050 0.112 0.000 0.888 533 N CB -0.292 38.265 38.487 0.117 0.000 0.995 533 N HN 0.214 nan 8.380 nan 0.000 0.437 534 R N -1.078 119.456 120.500 0.056 0.000 2.121 534 R HA 0.218 4.564 4.340 0.010 0.000 0.206 534 R C 1.529 177.856 176.300 0.045 0.000 1.094 534 R CA 0.181 56.314 56.100 0.055 0.000 1.055 534 R CB -0.186 30.168 30.300 0.089 0.000 0.964 534 R HN 0.074 nan 8.270 nan 0.000 0.473 535 F N 1.163 121.026 119.950 -0.144 0.000 2.220 535 F HA 0.075 4.608 4.527 0.010 0.000 0.290 535 F C 1.863 177.500 175.800 -0.272 0.000 1.080 535 F CA 0.671 58.562 58.000 -0.182 0.000 1.318 535 F CB -0.251 38.657 39.000 -0.153 0.000 1.063 535 F HN -0.146 nan 8.300 nan 0.000 0.498 536 L N 1.085 121.950 121.223 -0.596 0.000 2.079 536 L HA -0.106 4.240 4.340 0.010 0.000 0.210 536 L C -0.886 175.723 176.870 -0.434 0.000 1.081 536 L CA 1.853 56.284 54.840 -0.681 0.000 0.752 536 L CB -1.497 40.172 42.059 -0.649 0.000 0.896 536 L HN 0.047 nan 8.230 nan 0.000 0.433 537 P HA -0.199 nan 4.420 nan 0.000 0.215 537 P C 1.216 178.380 177.300 -0.226 0.000 1.157 537 P CA 1.497 64.487 63.100 -0.183 0.000 0.868 537 P CB -0.111 31.525 31.700 -0.106 0.000 0.788 538 K N -0.797 119.438 120.400 -0.275 0.000 2.152 538 K HA -0.122 4.204 4.320 0.010 0.000 0.206 538 K C 1.251 177.656 176.600 -0.325 0.000 1.048 538 K CA 0.822 56.956 56.287 -0.256 0.000 0.933 538 K CB -0.899 31.481 32.500 -0.201 0.000 0.721 538 K HN 0.140 nan 8.250 nan 0.000 0.447 539 L N 1.573 122.479 121.223 -0.528 0.000 2.930 539 L HA 0.013 4.359 4.340 0.010 0.000 0.250 539 L C 0.830 177.555 176.870 -0.242 0.000 1.320 539 L CA 0.438 55.025 54.840 -0.422 0.000 1.163 539 L CB -0.275 41.428 42.059 -0.593 0.000 1.542 539 L HN 0.059 nan 8.230 nan 0.000 0.428 540 L N -2.324 118.789 121.223 -0.182 0.000 3.174 540 L HA 0.264 4.610 4.340 0.010 0.000 0.313 540 L C 1.281 178.099 176.870 -0.087 0.000 1.021 540 L CA 0.583 55.352 54.840 -0.118 0.000 1.269 540 L CB 0.139 42.132 42.059 -0.111 0.000 2.173 540 L HN 0.066 nan 8.230 nan 0.000 0.591 541 S N 1.682 117.328 115.700 -0.091 0.000 3.120 541 S HA 0.723 5.199 4.470 0.010 0.000 0.259 541 S C 0.371 174.936 174.600 -0.058 0.000 1.191 541 S CA 0.502 58.663 58.200 -0.065 0.000 1.257 541 S CB -0.980 62.185 63.200 -0.059 0.000 0.964 541 S HN 0.590 nan 8.310 nan 0.000 0.473 542 A N 0.000 122.785 122.820 -0.058 0.000 2.254 542 A HA 0.000 4.326 4.320 0.010 0.000 0.244 542 A CA 0.000 52.010 52.037 -0.045 0.000 0.836 542 A CB 0.000 18.971 19.000 -0.047 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486