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 2ha7_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGEA DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.623 176.600 0.039 0.000 1.382 4 E CA 0.000 56.417 56.400 0.029 0.000 0.976 4 E CB 0.000 29.718 29.700 0.029 0.000 0.812 5 D N 6.084 126.515 120.400 0.052 0.000 2.325 5 D HA 0.186 4.827 4.640 0.002 0.000 0.251 5 D C -1.425 174.916 176.300 0.069 0.000 1.196 5 D CA -2.155 51.890 54.000 0.075 0.000 0.866 5 D CB 1.506 42.376 40.800 0.116 0.000 1.101 5 D HN 0.290 nan 8.370 nan 0.000 0.476 6 P HA -0.113 nan 4.420 nan 0.000 0.226 6 P C 0.991 178.307 177.300 0.027 0.000 1.153 6 P CA 0.608 63.727 63.100 0.032 0.000 0.777 6 P CB 0.530 32.238 31.700 0.012 0.000 0.794 7 Q N -0.381 119.426 119.800 0.012 0.000 2.291 7 Q HA 0.042 4.383 4.340 0.002 0.000 0.205 7 Q C 1.839 177.911 176.000 0.121 0.000 0.970 7 Q CA 0.849 56.638 55.803 -0.023 0.000 0.876 7 Q CB -0.261 28.324 28.738 -0.255 0.000 0.935 7 Q HN 0.423 nan 8.270 nan 0.000 0.455 8 L N 0.087 121.400 121.223 0.150 0.000 2.653 8 L HA 0.232 4.573 4.340 0.002 0.000 0.231 8 L C 0.249 177.292 176.870 0.289 0.000 1.153 8 L CA -0.095 54.870 54.840 0.209 0.000 0.933 8 L CB 0.303 42.413 42.059 0.084 0.000 1.175 8 L HN -0.027 nan 8.230 nan 0.000 0.473 9 L N 0.582 121.922 121.223 0.195 0.000 2.313 9 L HA 0.553 4.894 4.340 0.002 0.000 0.283 9 L C -0.912 175.978 176.870 0.033 0.000 1.013 9 L CA -0.481 54.439 54.840 0.133 0.000 0.816 9 L CB 2.257 44.359 42.059 0.072 0.000 1.236 9 L HN -0.228 nan 8.230 nan 0.000 0.419 10 V N 3.698 123.592 119.914 -0.033 0.000 2.709 10 V HA 0.446 4.567 4.120 0.002 0.000 0.308 10 V C -0.344 175.663 176.094 -0.145 0.000 1.062 10 V CA -0.790 61.358 62.300 -0.254 0.000 0.901 10 V CB 2.200 33.579 31.823 -0.740 0.000 1.003 10 V HN 0.688 nan 8.190 nan 0.000 0.425 11 R N 3.635 124.037 120.500 -0.163 0.000 2.198 11 R HA 0.685 5.026 4.340 0.002 0.000 0.339 11 R C -0.543 175.666 176.300 -0.151 0.000 1.020 11 R CA -0.297 55.738 56.100 -0.107 0.000 0.864 11 R CB 1.251 31.494 30.300 -0.095 0.000 1.105 11 R HN 0.721 nan 8.270 nan 0.000 0.463 12 V N 1.817 121.688 119.914 -0.072 0.000 3.193 12 V HA 0.447 4.568 4.120 0.002 0.000 0.320 12 V C 1.216 177.230 176.094 -0.134 0.000 1.112 12 V CA -0.829 61.424 62.300 -0.079 0.000 1.026 12 V CB 1.710 33.607 31.823 0.123 0.000 1.128 12 V HN 0.844 nan 8.190 nan 0.000 0.452 13 R N 1.169 121.572 120.500 -0.161 0.000 2.127 13 R HA -0.042 4.300 4.340 0.002 0.000 0.238 13 R C 1.924 178.075 176.300 -0.248 0.000 1.134 13 R CA 1.679 57.674 56.100 -0.174 0.000 0.975 13 R CB -0.595 29.617 30.300 -0.146 0.000 0.865 13 R HN 0.987 nan 8.270 nan 0.000 0.447 14 G N -0.605 107.986 108.800 -0.348 0.000 3.042 14 G HA2 0.353 4.315 3.960 0.002 0.000 0.212 14 G HA3 0.353 4.315 3.960 0.002 0.000 0.212 14 G C 0.306 174.284 174.900 -1.538 0.000 1.166 14 G CA 0.429 45.073 45.100 -0.760 0.000 0.767 14 G HN 0.560 nan 8.290 nan 0.000 0.546 15 G N -0.880 107.341 108.800 -0.966 0.000 2.315 15 G HA2 0.040 4.001 3.960 0.002 0.000 0.296 15 G HA3 0.040 4.001 3.960 0.002 0.000 0.296 15 G C -1.007 173.859 174.900 -0.057 0.000 1.289 15 G CA -0.993 43.657 45.100 -0.751 0.000 0.996 15 G HN 0.326 nan 8.290 nan 0.000 0.487 16 Q N -0.644 119.303 119.800 0.245 0.000 2.230 16 Q HA 0.740 5.081 4.340 0.002 0.000 0.248 16 Q C -0.331 175.953 176.000 0.474 0.000 0.915 16 Q CA -0.289 55.696 55.803 0.303 0.000 0.900 16 Q CB 1.718 30.564 28.738 0.179 0.000 1.229 16 Q HN 0.474 nan 8.270 nan 0.000 0.439 17 L N 1.171 122.573 121.223 0.298 0.000 2.388 17 L HA 0.612 4.953 4.340 0.002 0.000 0.264 17 L C -0.589 176.428 176.870 0.245 0.000 0.998 17 L CA -0.784 54.219 54.840 0.273 0.000 0.817 17 L CB 2.245 44.492 42.059 0.314 0.000 1.338 17 L HN 0.438 nan 8.230 nan 0.000 0.414 18 R N 0.657 121.287 120.500 0.216 0.000 2.439 18 R HA 0.628 4.969 4.340 0.002 0.000 0.310 18 R C -0.347 176.052 176.300 0.164 0.000 0.955 18 R CA -0.336 55.877 56.100 0.188 0.000 0.853 18 R CB 1.799 32.153 30.300 0.090 0.000 1.171 18 R HN 0.838 nan 8.270 nan 0.000 0.449 19 G N 3.204 112.074 108.800 0.118 0.000 2.568 19 G HA2 0.460 4.421 3.960 0.002 0.000 0.293 19 G HA3 0.460 4.421 3.960 0.002 0.000 0.293 19 G C -0.920 173.816 174.900 -0.274 0.000 1.347 19 G CA -0.668 44.246 45.100 -0.310 0.000 1.039 19 G HN 0.580 nan 8.290 nan 0.000 0.523 20 I N -0.687 119.662 120.570 -0.370 0.000 2.582 20 I HA 0.502 4.673 4.170 0.002 0.000 0.292 20 I C -0.086 175.893 176.117 -0.230 0.000 1.066 20 I CA -1.099 60.059 61.300 -0.237 0.000 1.053 20 I CB 1.939 39.813 38.000 -0.211 0.000 1.241 20 I HN 0.481 nan 8.210 nan 0.000 0.421 21 R N 7.726 128.135 120.500 -0.152 0.000 2.316 21 R HA 0.503 4.844 4.340 0.002 0.000 0.314 21 R C -1.601 174.609 176.300 -0.149 0.000 1.069 21 R CA -0.236 55.773 56.100 -0.151 0.000 0.959 21 R CB 0.552 30.730 30.300 -0.203 0.000 0.987 21 R HN 0.643 nan 8.270 nan 0.000 0.446 22 L N 3.752 124.902 121.223 -0.123 0.000 2.331 22 L HA 0.459 4.800 4.340 0.002 0.000 0.275 22 L C -0.160 176.644 176.870 -0.111 0.000 1.022 22 L CA -1.113 53.670 54.840 -0.096 0.000 0.812 22 L CB 1.756 43.791 42.059 -0.040 0.000 1.257 22 L HN 0.529 nan 8.230 nan 0.000 0.435 23 K N 1.660 121.998 120.400 -0.105 0.000 2.205 23 K HA 0.667 4.988 4.320 0.002 0.000 0.279 23 K C -0.774 175.760 176.600 -0.110 0.000 1.027 23 K CA -0.122 56.105 56.287 -0.101 0.000 0.932 23 K CB 1.466 33.917 32.500 -0.080 0.000 1.032 23 K HN 0.684 nan 8.250 nan 0.000 0.466 24 A N 5.072 127.829 122.820 -0.106 0.000 2.374 24 A HA 0.510 4.831 4.320 0.002 0.000 0.317 24 A C -1.972 175.596 177.584 -0.026 0.000 1.094 24 A CA -1.703 50.256 52.037 -0.130 0.000 0.765 24 A CB 0.921 19.814 19.000 -0.179 0.000 1.268 24 A HN 0.707 nan 8.150 nan 0.000 0.438 25 P HA -0.194 nan 4.420 nan 0.000 0.217 25 P C 1.315 178.640 177.300 0.042 0.000 1.151 25 P CA 2.295 65.435 63.100 0.066 0.000 0.849 25 P CB 0.072 31.847 31.700 0.124 0.000 0.787 26 G N -1.513 107.314 108.800 0.045 0.000 2.880 26 G HA2 0.390 4.351 3.960 0.002 0.000 0.209 26 G HA3 0.390 4.351 3.960 0.002 0.000 0.209 26 G C 0.650 175.562 174.900 0.020 0.000 1.157 26 G CA 0.606 45.726 45.100 0.034 0.000 0.779 26 G HN 0.700 nan 8.290 nan 0.000 0.539 27 G N -0.712 108.090 108.800 0.004 0.000 2.359 27 G HA2 0.375 4.337 3.960 0.002 0.000 0.293 27 G HA3 0.375 4.337 3.960 0.002 0.000 0.293 27 G C -3.411 171.467 174.900 -0.037 0.000 1.300 27 G CA -0.646 44.449 45.100 -0.009 0.000 0.888 27 G HN 0.041 nan 8.290 nan 0.000 0.541 28 P HA 0.548 nan 4.420 nan 0.000 0.277 28 P C -0.096 177.197 177.300 -0.012 0.000 1.240 28 P CA -0.311 62.705 63.100 -0.140 0.000 0.798 28 P CB 1.701 33.157 31.700 -0.406 0.000 0.979 29 V N -1.512 118.402 119.914 0.000 0.000 3.040 29 V HA 0.657 4.778 4.120 0.002 0.000 0.312 29 V C -0.386 175.792 176.094 0.139 0.000 1.115 29 V CA -0.925 61.457 62.300 0.136 0.000 0.998 29 V CB 1.805 33.716 31.823 0.146 0.000 1.042 29 V HN 0.414 nan 8.190 nan 0.000 0.433 30 S N 1.919 117.745 115.700 0.210 0.000 2.438 30 S HA 0.824 5.295 4.470 0.002 0.000 0.293 30 S C 0.075 174.598 174.600 -0.130 0.000 1.141 30 S CA -0.003 58.225 58.200 0.046 0.000 1.080 30 S CB 1.070 64.376 63.200 0.177 0.000 0.978 30 S HN 1.485 nan 8.310 nan 0.000 0.479 31 A N 3.078 125.650 122.820 -0.414 0.000 2.330 31 A HA 0.825 5.146 4.320 0.002 0.000 0.327 31 A C -1.034 176.064 177.584 -0.810 0.000 1.155 31 A CA -0.614 51.068 52.037 -0.592 0.000 0.803 31 A CB 0.337 18.986 19.000 -0.586 0.000 1.208 31 A HN 0.707 nan 8.150 nan 0.000 0.477 32 F N 2.652 122.423 119.950 -0.299 0.000 2.434 32 F HA 0.466 4.994 4.527 0.002 0.000 0.367 32 F C -0.304 175.311 175.800 -0.308 0.000 1.093 32 F CA -0.265 57.639 58.000 -0.159 0.000 1.085 32 F CB 1.260 40.324 39.000 0.107 0.000 1.322 32 F HN 0.328 nan 8.300 nan 0.000 0.452 33 L N 2.040 123.116 121.223 -0.246 0.000 2.334 33 L HA 0.769 5.110 4.340 0.002 0.000 0.276 33 L C 0.852 177.614 176.870 -0.180 0.000 1.014 33 L CA -1.072 53.555 54.840 -0.355 0.000 0.815 33 L CB 1.780 43.402 42.059 -0.728 0.000 1.268 33 L HN 0.799 nan 8.230 nan 0.000 0.428 34 G N 2.875 111.630 108.800 -0.075 0.000 2.225 34 G HA2 -0.239 3.722 3.960 0.002 0.000 0.264 34 G HA3 -0.239 3.722 3.960 0.002 0.000 0.264 34 G C -0.177 174.732 174.900 0.016 0.000 1.060 34 G CA -0.373 44.684 45.100 -0.070 0.000 0.833 34 G HN 0.477 nan 8.290 nan 0.000 0.498 35 I N 1.872 122.483 120.570 0.068 0.000 2.396 35 I HA 0.245 4.416 4.170 0.002 0.000 0.289 35 I C -1.500 174.680 176.117 0.104 0.000 1.056 35 I CA -2.205 59.122 61.300 0.044 0.000 1.365 35 I CB 1.056 39.031 38.000 -0.043 0.000 1.407 35 I HN -0.027 nan 8.210 nan 0.000 0.509 36 P HA 0.043 nan 4.420 nan 0.000 0.276 36 P C -0.215 177.025 177.300 -0.099 0.000 1.235 36 P CA -0.007 62.992 63.100 -0.168 0.000 0.772 36 P CB 0.501 32.119 31.700 -0.137 0.000 0.871 37 F N 0.931 120.733 119.950 -0.246 0.000 2.706 37 F HA 0.738 5.266 4.527 0.002 0.000 0.313 37 F C 0.069 175.867 175.800 -0.003 0.000 1.096 37 F CA -0.793 57.121 58.000 -0.142 0.000 1.219 37 F CB 0.186 38.997 39.000 -0.316 0.000 1.051 37 F HN 0.356 nan 8.300 nan 0.000 0.568 38 A N 0.012 122.594 122.820 -0.397 0.000 2.606 38 A HA 0.544 4.865 4.320 0.002 0.000 0.293 38 A C -0.952 176.476 177.584 -0.260 0.000 1.082 38 A CA -0.845 51.039 52.037 -0.254 0.000 0.685 38 A CB 0.901 19.701 19.000 -0.334 0.000 1.284 38 A HN 0.067 nan 8.150 nan 0.000 0.408 39 E N 1.286 121.409 120.200 -0.127 0.000 2.415 39 E HA 0.222 4.573 4.350 0.002 0.000 0.263 39 E C -2.304 174.198 176.600 -0.164 0.000 0.995 39 E CA -1.232 55.104 56.400 -0.106 0.000 0.915 39 E CB -0.038 29.637 29.700 -0.041 0.000 0.951 39 E HN 0.233 nan 8.360 nan 0.000 0.449 40 P HA -0.015 nan 4.420 nan 0.000 0.260 40 P C -2.204 175.022 177.300 -0.124 0.000 1.185 40 P CA -0.678 62.327 63.100 -0.159 0.000 0.763 40 P CB -0.100 31.545 31.700 -0.092 0.000 0.776 41 P HA 0.008 nan 4.420 nan 0.000 0.225 41 P C -0.255 176.972 177.300 -0.121 0.000 1.768 41 P CA 0.126 63.159 63.100 -0.111 0.000 0.943 41 P CB -0.127 31.509 31.700 -0.106 0.000 1.936 42 V N -2.932 116.918 119.914 -0.107 0.000 3.096 42 V HA 0.898 5.019 4.120 0.002 0.000 0.319 42 V C 1.053 177.093 176.094 -0.091 0.000 1.103 42 V CA 0.128 62.361 62.300 -0.113 0.000 1.016 42 V CB 0.845 32.609 31.823 -0.099 0.000 1.090 42 V HN 0.516 nan 8.190 nan 0.000 0.449 43 G N 2.384 111.130 108.800 -0.092 0.000 2.646 43 G HA2 -0.377 3.584 3.960 0.002 0.000 0.324 43 G HA3 -0.377 3.584 3.960 0.002 0.000 0.324 43 G C 1.331 176.192 174.900 -0.064 0.000 1.195 43 G CA 1.939 47.000 45.100 -0.066 0.000 0.976 43 G HN 2.351 nan 8.290 nan 0.000 0.546 44 S N 0.482 116.160 115.700 -0.038 0.000 2.489 44 S HA 0.099 4.570 4.470 0.002 0.000 0.228 44 S C 2.005 176.592 174.600 -0.022 0.000 0.995 44 S CA 1.363 59.553 58.200 -0.018 0.000 0.934 44 S CB -0.039 63.160 63.200 -0.002 0.000 0.771 44 S HN 0.680 nan 8.310 nan 0.000 0.522 45 R N 0.911 121.386 120.500 -0.042 0.000 2.323 45 R HA 0.204 4.545 4.340 0.002 0.000 0.198 45 R C 0.992 177.247 176.300 -0.076 0.000 0.988 45 R CA -0.085 55.990 56.100 -0.041 0.000 1.041 45 R CB -0.109 30.164 30.300 -0.044 0.000 0.926 45 R HN 0.400 nan 8.270 nan 0.000 0.476 46 R N 0.808 121.217 120.500 -0.151 0.000 2.570 46 R HA -0.131 4.210 4.340 0.002 0.000 0.277 46 R C -0.349 175.776 176.300 -0.292 0.000 1.039 46 R CA 0.537 56.430 56.100 -0.344 0.000 1.065 46 R CB 0.152 30.112 30.300 -0.567 0.000 0.964 46 R HN 0.104 nan 8.270 nan 0.000 0.428 47 F N -0.582 119.380 119.950 0.021 0.000 2.748 47 F HA -0.294 4.235 4.527 0.002 0.000 0.370 47 F C 0.044 175.834 175.800 -0.017 0.000 0.620 47 F CA 0.572 58.562 58.000 -0.016 0.000 1.233 47 F CB -1.507 37.474 39.000 -0.031 0.000 1.708 47 F HN 0.454 nan 8.300 nan 0.000 0.298 48 M N 1.006 120.674 119.600 0.113 0.000 2.409 48 M HA 0.407 4.888 4.480 0.002 0.000 0.329 48 M C -1.962 174.369 176.300 0.051 0.000 1.180 48 M CA -1.506 53.840 55.300 0.077 0.000 1.053 48 M CB 0.588 33.220 32.600 0.052 0.000 1.586 48 M HN -0.361 nan 8.290 nan 0.000 0.461 49 P HA 0.087 nan 4.420 nan 0.000 0.265 49 P C -2.391 174.941 177.300 0.053 0.000 1.187 49 P CA -0.454 62.682 63.100 0.060 0.000 0.766 49 P CB -0.568 31.175 31.700 0.072 0.000 0.820 50 P HA 0.177 nan 4.420 nan 0.000 0.274 50 P C -0.626 176.712 177.300 0.062 0.000 1.231 50 P CA 0.027 63.157 63.100 0.051 0.000 0.790 50 P CB 0.915 32.667 31.700 0.086 0.000 0.951 51 E N 2.608 122.831 120.200 0.038 0.000 2.191 51 E HA 0.351 4.702 4.350 0.002 0.000 0.274 51 E C -2.162 174.477 176.600 0.065 0.000 0.948 51 E CA -2.394 54.036 56.400 0.051 0.000 0.802 51 E CB 0.751 30.471 29.700 0.033 0.000 1.137 51 E HN 0.390 nan 8.360 nan 0.000 0.397 52 P HA -0.060 nan 4.420 nan 0.000 0.265 52 P C -0.611 176.757 177.300 0.114 0.000 1.193 52 P CA -0.162 63.019 63.100 0.136 0.000 0.765 52 P CB 0.540 32.323 31.700 0.138 0.000 0.823 53 K N 4.166 124.653 120.400 0.146 0.000 2.447 53 K HA 0.022 4.343 4.320 0.002 0.000 0.281 53 K C 0.265 176.970 176.600 0.174 0.000 1.031 53 K CA 0.166 56.541 56.287 0.147 0.000 1.019 53 K CB 0.125 32.743 32.500 0.198 0.000 0.918 53 K HN 0.279 nan 8.250 nan 0.000 0.476 54 R N 5.274 125.858 120.500 0.140 0.000 2.643 54 R HA 0.129 4.470 4.340 0.002 0.000 0.270 54 R C -1.838 174.561 176.300 0.165 0.000 1.061 54 R CA -1.425 54.746 56.100 0.118 0.000 1.107 54 R CB -0.181 30.174 30.300 0.091 0.000 0.999 54 R HN 0.634 nan 8.270 nan 0.000 0.460 55 P HA -0.040 nan 4.420 nan 0.000 0.271 55 P C -1.171 176.169 177.300 0.067 0.000 1.233 55 P CA -0.034 62.998 63.100 -0.113 0.000 0.789 55 P CB 0.345 31.929 31.700 -0.193 0.000 0.951 56 W N 0.003 121.335 121.300 0.054 0.000 2.882 56 W HA 0.625 5.286 4.660 0.002 0.000 0.345 56 W C -0.601 175.942 176.519 0.040 0.000 1.125 56 W CA -1.057 56.316 57.345 0.048 0.000 1.167 56 W CB 0.194 29.690 29.460 0.061 0.000 1.431 56 W HN 0.426 nan 8.180 nan 0.000 0.543 57 S N 1.735 117.598 115.700 0.272 0.000 2.672 57 S HA 0.800 5.271 4.470 0.002 0.000 0.276 57 S C 0.671 175.422 174.600 0.252 0.000 1.207 57 S CA 0.196 58.497 58.200 0.168 0.000 1.002 57 S CB 0.810 64.075 63.200 0.109 0.000 0.998 57 S HN 2.230 nan 8.310 nan 0.000 0.542 58 G N 0.194 109.093 108.800 0.164 0.000 2.575 58 G HA2 -0.186 3.775 3.960 0.002 0.000 0.267 58 G HA3 -0.186 3.775 3.960 0.002 0.000 0.267 58 G C -0.554 174.481 174.900 0.225 0.000 1.264 58 G CA -0.163 45.031 45.100 0.155 0.000 0.935 58 G HN 1.740 nan 8.290 nan 0.000 0.568 59 V N 0.707 120.724 119.914 0.172 0.000 2.334 59 V HA 0.536 4.657 4.120 0.002 0.000 0.281 59 V C 0.423 176.587 176.094 0.116 0.000 1.016 59 V CA -0.458 61.946 62.300 0.173 0.000 0.832 59 V CB 1.192 33.081 31.823 0.111 0.000 0.999 59 V HN 0.834 nan 8.190 nan 0.000 0.439 60 L N 4.714 125.994 121.223 0.095 0.000 2.361 60 L HA 0.321 4.662 4.340 0.002 0.000 0.278 60 L C 0.555 177.383 176.870 -0.071 0.000 1.113 60 L CA 0.459 55.215 54.840 -0.140 0.000 0.849 60 L CB 0.689 42.378 42.059 -0.618 0.000 1.155 60 L HN 0.727 nan 8.230 nan 0.000 0.452 61 D N 5.028 125.380 120.400 -0.080 0.000 2.382 61 D HA 0.130 4.771 4.640 0.002 0.000 0.259 61 D C -0.528 175.722 176.300 -0.083 0.000 1.224 61 D CA 0.241 54.204 54.000 -0.061 0.000 0.894 61 D CB 1.053 41.813 40.800 -0.067 0.000 1.127 61 D HN 0.704 nan 8.370 nan 0.000 0.487 62 A N 3.247 126.044 122.820 -0.039 0.000 3.105 62 A HA 0.234 4.555 4.320 0.002 0.000 0.297 62 A C 0.785 178.304 177.584 -0.108 0.000 0.977 62 A CA -0.507 51.504 52.037 -0.044 0.000 1.020 62 A CB -0.025 19.029 19.000 0.090 0.000 1.098 62 A HN 0.535 nan 8.150 nan 0.000 0.497 63 T N -3.842 110.620 114.554 -0.153 0.000 3.085 63 T HA 0.374 4.725 4.350 0.002 0.000 0.264 63 T C 0.338 174.886 174.700 -0.253 0.000 1.019 63 T CA 0.283 62.262 62.100 -0.201 0.000 0.910 63 T CB 0.285 69.067 68.868 -0.143 0.000 1.059 63 T HN 0.263 nan 8.240 nan 0.000 0.542 64 T N 0.925 115.316 114.554 -0.271 0.000 2.932 64 T HA 0.565 4.916 4.350 0.002 0.000 0.318 64 T C -1.619 172.922 174.700 -0.265 0.000 1.265 64 T CA -0.667 61.277 62.100 -0.260 0.000 1.036 64 T CB 0.811 69.588 68.868 -0.151 0.000 1.209 64 T HN 0.107 nan 8.240 nan 0.000 0.484 65 F N 2.895 122.777 119.950 -0.113 0.000 2.471 65 F HA 0.355 4.883 4.527 0.002 0.000 0.353 65 F C 1.365 177.067 175.800 -0.164 0.000 1.113 65 F CA -0.118 57.816 58.000 -0.111 0.000 1.262 65 F CB 0.649 39.614 39.000 -0.059 0.000 1.146 65 F HN 0.350 nan 8.300 nan 0.000 0.578 66 Q N 1.331 121.145 119.800 0.023 0.000 2.171 66 Q HA 0.217 4.559 4.340 0.002 0.000 0.217 66 Q C -0.212 175.732 176.000 -0.094 0.000 0.995 66 Q CA -0.815 54.855 55.803 -0.222 0.000 0.979 66 Q CB 0.604 28.912 28.738 -0.717 0.000 1.152 66 Q HN 0.508 nan 8.270 nan 0.000 0.525 67 N N -0.118 118.508 118.700 -0.123 0.000 2.395 67 N HA 0.003 4.744 4.740 0.002 0.000 0.246 67 N C -0.549 174.956 175.510 -0.009 0.000 1.246 67 N CA 0.143 53.165 53.050 -0.048 0.000 0.879 67 N CB 0.381 38.852 38.487 -0.028 0.000 1.098 67 N HN 0.180 nan 8.380 nan 0.000 0.444 68 V N 1.934 121.821 119.914 -0.046 0.000 2.583 68 V HA 0.042 4.163 4.120 0.002 0.000 0.287 68 V C 0.668 176.732 176.094 -0.050 0.000 1.051 68 V CA -0.794 61.468 62.300 -0.065 0.000 1.010 68 V CB 0.738 32.487 31.823 -0.123 0.000 0.988 68 V HN 0.707 nan 8.190 nan 0.000 0.478 69 c N 4.720 123.304 118.600 -0.028 0.000 2.563 69 c HA 0.033 4.604 4.570 0.002 0.000 0.411 69 c C 0.554 174.623 174.090 -0.036 0.000 1.386 69 c CA -0.507 55.809 56.329 -0.022 0.000 1.703 69 c CB -1.160 41.355 42.510 0.008 0.000 2.596 69 c HN 0.747 nan 8.230 nan 0.000 0.605 70 Y N 4.125 124.313 120.300 -0.187 0.000 2.729 70 Y HA 0.221 4.772 4.550 0.002 0.000 0.331 70 Y C 0.817 176.776 175.900 0.098 0.000 1.208 70 Y CA 1.022 59.029 58.100 -0.154 0.000 1.521 70 Y CB 0.094 38.277 38.460 -0.462 0.000 1.233 70 Y HN 0.738 nan 8.280 nan 0.000 0.539 71 Q N 4.403 124.200 119.800 -0.005 0.000 2.435 71 Q HA 0.226 4.567 4.340 0.002 0.000 0.282 71 Q C -1.637 174.480 176.000 0.194 0.000 1.020 71 Q CA -1.239 54.697 55.803 0.221 0.000 0.820 71 Q CB 1.271 30.105 28.738 0.158 0.000 1.436 71 Q HN 0.672 nan 8.270 nan 0.000 0.395 72 Y N 1.302 121.765 120.300 0.271 0.000 2.811 72 Y HA 0.195 4.746 4.550 0.002 0.000 0.334 72 Y C -0.927 175.110 175.900 0.228 0.000 1.247 72 Y CA 0.432 58.708 58.100 0.293 0.000 1.526 72 Y CB 0.692 39.436 38.460 0.473 0.000 1.284 72 Y HN 0.447 nan 8.280 nan 0.000 0.586 73 V N 7.047 126.649 119.914 -0.520 0.000 2.417 73 V HA 0.096 4.217 4.120 0.002 0.000 0.291 73 V C -0.081 175.630 176.094 -0.637 0.000 1.024 73 V CA -1.185 60.873 62.300 -0.403 0.000 0.861 73 V CB 1.425 33.109 31.823 -0.232 0.000 0.985 73 V HN 0.788 nan 8.190 nan 0.000 0.436 74 D N 3.309 123.567 120.400 -0.237 0.000 2.424 74 D HA 0.101 4.742 4.640 0.002 0.000 0.244 74 D C 0.613 176.905 176.300 -0.013 0.000 1.134 74 D CA 0.540 54.526 54.000 -0.025 0.000 0.881 74 D CB 1.628 42.586 40.800 0.263 0.000 1.191 74 D HN 0.804 nan 8.370 nan 0.000 0.445 75 T N 0.972 115.539 114.554 0.023 0.000 3.332 75 T HA 0.029 4.380 4.350 0.002 0.000 0.304 75 T C 1.462 176.146 174.700 -0.027 0.000 0.971 75 T CA -0.457 61.644 62.100 0.002 0.000 0.954 75 T CB 0.026 68.882 68.868 -0.021 0.000 1.175 75 T HN 0.225 nan 8.240 nan 0.000 0.519 76 L N 0.713 121.900 121.223 -0.060 0.000 2.056 76 L HA 0.269 4.610 4.340 0.002 0.000 0.207 76 L C -0.218 176.350 176.870 -0.503 0.000 1.078 76 L CA 1.592 56.210 54.840 -0.369 0.000 0.749 76 L CB -0.211 41.467 42.059 -0.635 0.000 0.901 76 L HN 0.427 nan 8.230 nan 0.000 0.433 77 Y N 0.333 120.643 120.300 0.017 0.000 2.584 77 Y HA 0.396 4.947 4.550 0.002 0.000 0.358 77 Y C -2.214 173.719 175.900 0.056 0.000 1.028 77 Y CA -3.597 54.500 58.100 -0.005 0.000 1.148 77 Y CB -0.381 38.041 38.460 -0.064 0.000 1.126 77 Y HN 0.081 nan 8.280 nan 0.000 0.658 78 P HA 0.130 nan 4.420 nan 0.000 0.263 78 P C 1.053 178.410 177.300 0.094 0.000 1.195 78 P CA 1.367 64.523 63.100 0.093 0.000 0.762 78 P CB 1.228 32.954 31.700 0.044 0.000 0.799 79 G N 2.664 111.508 108.800 0.072 0.000 2.217 79 G HA2 -0.284 3.677 3.960 0.002 0.000 0.246 79 G HA3 -0.284 3.677 3.960 0.002 0.000 0.246 79 G C -0.149 174.783 174.900 0.054 0.000 0.990 79 G CA -0.200 44.924 45.100 0.040 0.000 0.627 79 G HN 0.561 nan 8.290 nan 0.000 0.522 80 F N 2.430 122.337 119.950 -0.072 0.000 2.467 80 F HA 0.564 5.092 4.527 0.002 0.000 0.362 80 F C 1.333 177.030 175.800 -0.171 0.000 1.090 80 F CA -0.055 57.850 58.000 -0.158 0.000 1.202 80 F CB 0.969 39.838 39.000 -0.219 0.000 1.113 80 F HN 0.214 nan 8.300 nan 0.000 0.541 81 E N 3.532 123.257 120.200 -0.790 0.000 2.110 81 E HA -0.139 4.212 4.350 0.002 0.000 0.193 81 E C 2.071 178.174 176.600 -0.829 0.000 0.988 81 E CA 1.217 57.207 56.400 -0.683 0.000 0.804 81 E CB -0.246 29.136 29.700 -0.530 0.000 0.745 81 E HN 1.018 nan 8.360 nan 0.000 0.458 82 G N -0.321 107.490 108.800 -1.649 0.000 2.509 82 G HA2 -0.233 3.728 3.960 0.002 0.000 0.218 82 G HA3 -0.233 3.728 3.960 0.002 0.000 0.218 82 G C 1.510 176.411 174.900 0.001 0.000 1.124 82 G CA 1.430 45.918 45.100 -1.019 0.000 0.776 82 G HN 0.433 nan 8.290 nan 0.000 0.547 83 T N -2.742 111.796 114.554 -0.027 0.000 3.026 83 T HA 0.147 4.498 4.350 0.002 0.000 0.245 83 T C 1.796 176.653 174.700 0.262 0.000 1.004 83 T CA 0.338 62.717 62.100 0.464 0.000 1.069 83 T CB 0.098 69.307 68.868 0.569 0.000 1.005 83 T HN 0.077 nan 8.240 nan 0.000 0.472 84 E N 2.252 122.466 120.200 0.025 0.000 2.268 84 E HA -0.053 4.298 4.350 0.002 0.000 0.195 84 E C 2.164 178.681 176.600 -0.138 0.000 0.995 84 E CA 1.102 57.480 56.400 -0.036 0.000 0.836 84 E CB -0.447 29.202 29.700 -0.085 0.000 0.763 84 E HN 0.793 nan 8.360 nan 0.000 0.491 85 M N -2.470 116.963 119.600 -0.277 0.000 2.460 85 M HA -0.051 4.431 4.480 0.002 0.000 0.263 85 M C 1.116 177.031 176.300 -0.641 0.000 1.071 85 M CA 1.339 56.321 55.300 -0.529 0.000 1.096 85 M CB -0.411 31.758 32.600 -0.718 0.000 1.408 85 M HN -0.008 nan 8.290 nan 0.000 0.463 86 W N 0.620 121.863 121.300 -0.096 0.000 3.103 86 W HA 0.331 4.992 4.660 0.002 0.000 0.325 86 W C 0.317 176.772 176.519 -0.107 0.000 1.170 86 W CA -0.948 56.328 57.345 -0.114 0.000 1.712 86 W CB -0.087 29.356 29.460 -0.029 0.000 1.068 86 W HN 0.075 nan 8.180 nan 0.000 0.592 87 N N 1.648 120.393 118.700 0.075 0.000 2.467 87 N HA 0.143 4.884 4.740 0.002 0.000 0.262 87 N C -2.456 173.008 175.510 -0.077 0.000 1.234 87 N CA -1.511 51.547 53.050 0.012 0.000 0.952 87 N CB 0.051 38.540 38.487 0.004 0.000 1.158 87 N HN -0.346 nan 8.380 nan 0.000 0.463 88 P HA 0.041 nan 4.420 nan 0.000 0.263 88 P C 0.248 177.467 177.300 -0.134 0.000 1.195 88 P CA 0.057 63.077 63.100 -0.134 0.000 0.762 88 P CB 0.232 31.850 31.700 -0.137 0.000 0.799 89 N N 2.791 121.396 118.700 -0.158 0.000 2.236 89 N HA 0.046 4.788 4.740 0.002 0.000 0.196 89 N C 0.302 175.743 175.510 -0.116 0.000 1.114 89 N CA 0.199 53.163 53.050 -0.144 0.000 0.859 89 N CB 0.300 38.681 38.487 -0.176 0.000 0.982 89 N HN 0.139 nan 8.380 nan 0.000 0.493 90 R N 0.215 120.646 120.500 -0.115 0.000 2.950 90 R HA 0.368 4.709 4.340 0.002 0.000 0.253 90 R C -0.082 176.168 176.300 -0.083 0.000 1.168 90 R CA -0.667 55.384 56.100 -0.082 0.000 1.014 90 R CB 0.442 30.701 30.300 -0.069 0.000 1.228 90 R HN 0.110 nan 8.270 nan 0.000 0.487 91 E N 1.463 121.623 120.200 -0.066 0.000 2.392 91 E HA 0.096 4.447 4.350 0.002 0.000 0.264 91 E C -0.091 176.466 176.600 -0.072 0.000 1.024 91 E CA 0.014 56.377 56.400 -0.061 0.000 0.903 91 E CB 0.535 30.211 29.700 -0.040 0.000 0.963 91 E HN 0.258 nan 8.360 nan 0.000 0.432 92 L N 1.885 123.053 121.223 -0.092 0.000 2.331 92 L HA 0.221 4.562 4.340 0.002 0.000 0.278 92 L C 0.632 177.527 176.870 0.042 0.000 1.106 92 L CA -0.012 54.751 54.840 -0.128 0.000 0.824 92 L CB 0.856 42.666 42.059 -0.415 0.000 1.142 92 L HN 0.364 nan 8.230 nan 0.000 0.443 93 S N 1.250 116.993 115.700 0.071 0.000 2.537 93 S HA 0.213 4.684 4.470 0.002 0.000 0.271 93 S C 0.276 174.875 174.600 -0.002 0.000 1.148 93 S CA -0.689 57.560 58.200 0.082 0.000 0.868 93 S CB 1.627 64.841 63.200 0.024 0.000 1.115 93 S HN 0.746 nan 8.310 nan 0.000 0.461 94 E N 1.052 121.179 120.200 -0.121 0.000 2.338 94 E HA -0.079 4.272 4.350 0.002 0.000 0.197 94 E C -0.260 176.255 176.600 -0.141 0.000 1.007 94 E CA 0.578 56.824 56.400 -0.256 0.000 0.849 94 E CB 0.092 29.570 29.700 -0.370 0.000 0.774 94 E HN 0.555 nan 8.360 nan 0.000 0.506 95 D N 0.360 120.722 120.400 -0.064 0.000 2.453 95 D HA -0.001 4.640 4.640 0.002 0.000 0.223 95 D C 0.068 176.438 176.300 0.117 0.000 1.183 95 D CA -0.310 53.687 54.000 -0.005 0.000 0.933 95 D CB 0.059 40.875 40.800 0.026 0.000 1.038 95 D HN 0.138 nan 8.370 nan 0.000 0.513 96 c N 2.460 121.090 118.600 0.050 0.000 4.015 96 c HA 0.361 4.932 4.570 0.002 0.000 0.323 96 c C 0.696 174.816 174.090 0.050 0.000 1.724 96 c CA -0.654 55.774 56.329 0.165 0.000 1.828 96 c CB -1.230 41.323 42.510 0.071 0.000 3.083 96 c HN 0.444 nan 8.230 nan 0.000 0.640 97 L N 2.574 123.553 121.223 -0.407 0.000 2.415 97 L HA 0.373 4.715 4.340 0.002 0.000 0.269 97 L C -0.942 175.202 176.870 -1.210 0.000 1.244 97 L CA 0.649 55.019 54.840 -0.783 0.000 1.113 97 L CB -0.783 40.719 42.059 -0.929 0.000 1.352 97 L HN 0.393 nan 8.230 nan 0.000 0.433 98 Y N 2.008 122.215 120.300 -0.154 0.000 2.553 98 Y HA 0.637 5.188 4.550 0.002 0.000 0.347 98 Y C -0.113 175.969 175.900 0.303 0.000 1.019 98 Y CA -1.273 56.840 58.100 0.021 0.000 1.032 98 Y CB 2.002 40.454 38.460 -0.013 0.000 1.284 98 Y HN 0.206 nan 8.280 nan 0.000 0.466 99 L N -0.090 121.328 121.223 0.326 0.000 2.309 99 L HA 0.788 5.130 4.340 0.002 0.000 0.261 99 L C -1.294 175.599 176.870 0.038 0.000 1.021 99 L CA -1.192 53.733 54.840 0.141 0.000 0.823 99 L CB 1.769 43.755 42.059 -0.120 0.000 1.366 99 L HN 0.482 nan 8.230 nan 0.000 0.423 100 N N 0.272 119.003 118.700 0.052 0.000 2.258 100 N HA 0.705 5.446 4.740 0.002 0.000 0.299 100 N C -1.504 173.954 175.510 -0.087 0.000 1.047 100 N CA -0.415 52.590 53.050 -0.074 0.000 0.814 100 N CB 2.850 41.308 38.487 -0.047 0.000 1.413 100 N HN 0.512 nan 8.380 nan 0.000 0.478 101 V N 1.525 121.314 119.914 -0.208 0.000 2.531 101 V HA 0.460 4.581 4.120 0.002 0.000 0.301 101 V C -0.714 175.352 176.094 -0.047 0.000 1.034 101 V CA -0.801 61.462 62.300 -0.061 0.000 0.865 101 V CB 2.145 33.793 31.823 -0.291 0.000 0.995 101 V HN 0.547 nan 8.190 nan 0.000 0.424 102 W N 2.855 124.258 121.300 0.172 0.000 2.606 102 W HA 0.692 5.353 4.660 0.002 0.000 0.332 102 W C 0.222 176.857 176.519 0.193 0.000 1.052 102 W CA -0.402 57.045 57.345 0.170 0.000 1.223 102 W CB 2.450 31.987 29.460 0.128 0.000 1.383 102 W HN 0.662 nan 8.180 nan 0.000 0.524 103 T N -0.040 114.773 114.554 0.432 0.000 2.883 103 T HA 0.527 4.878 4.350 0.002 0.000 0.296 103 T C -2.843 172.029 174.700 0.287 0.000 1.117 103 T CA -2.442 59.865 62.100 0.344 0.000 1.006 103 T CB 2.160 71.254 68.868 0.376 0.000 1.191 103 T HN -0.080 nan 8.240 nan 0.000 0.508 104 P HA 0.201 nan 4.420 nan 0.000 0.268 104 P C -1.566 175.868 177.300 0.224 0.000 1.208 104 P CA -0.129 63.086 63.100 0.193 0.000 0.777 104 P CB 0.061 31.846 31.700 0.141 0.000 0.875 105 Y N 3.537 123.890 120.300 0.088 0.000 2.328 105 Y HA 0.424 4.975 4.550 0.002 0.000 0.336 105 Y C -2.081 173.852 175.900 0.055 0.000 0.960 105 Y CA -2.490 55.653 58.100 0.073 0.000 1.134 105 Y CB 1.139 39.627 38.460 0.048 0.000 1.166 105 Y HN 0.351 nan 8.280 nan 0.000 0.464 106 P HA 0.175 nan 4.420 nan 0.000 0.274 106 P C -0.983 176.259 177.300 -0.095 0.000 1.246 106 P CA -0.551 62.347 63.100 -0.336 0.000 0.795 106 P CB 0.808 32.361 31.700 -0.244 0.000 1.006 107 R N 1.527 121.974 120.500 -0.088 0.000 2.481 107 R HA 0.022 4.363 4.340 0.002 0.000 0.291 107 R C -1.856 174.462 176.300 0.029 0.000 0.934 107 R CA -0.343 55.773 56.100 0.027 0.000 1.116 107 R CB -1.357 28.953 30.300 0.017 0.000 0.895 107 R HN 0.377 nan 8.270 nan 0.000 0.410 108 P HA -0.076 nan 4.420 nan 0.000 0.261 108 P C -0.394 176.925 177.300 0.032 0.000 1.173 108 P CA 0.500 63.632 63.100 0.054 0.000 0.760 108 P CB 0.917 32.662 31.700 0.074 0.000 0.783 109 A N 3.032 125.865 122.820 0.021 0.000 1.898 109 A HA -0.022 4.299 4.320 0.002 0.000 0.216 109 A C 1.013 178.603 177.584 0.010 0.000 1.181 109 A CA 1.651 53.694 52.037 0.010 0.000 0.620 109 A CB -0.665 18.339 19.000 0.007 0.000 0.819 109 A HN 0.624 nan 8.150 nan 0.000 0.442 110 S N -1.176 114.533 115.700 0.015 0.000 2.607 110 S HA 0.635 5.106 4.470 0.002 0.000 0.303 110 S C -3.193 171.419 174.600 0.020 0.000 1.086 110 S CA -1.897 56.311 58.200 0.012 0.000 0.995 110 S CB 1.233 64.437 63.200 0.007 0.000 1.084 110 S HN 0.005 nan 8.310 nan 0.000 0.507 111 P HA 0.177 nan 4.420 nan 0.000 0.261 111 P C -0.658 176.657 177.300 0.025 0.000 1.183 111 P CA 0.293 63.408 63.100 0.024 0.000 0.761 111 P CB 0.026 31.732 31.700 0.011 0.000 0.785 112 T N 4.863 119.443 114.554 0.044 0.000 2.823 112 T HA 0.416 4.767 4.350 0.002 0.000 0.279 112 T C -2.480 172.246 174.700 0.043 0.000 0.998 112 T CA -2.192 59.933 62.100 0.043 0.000 0.994 112 T CB 0.873 69.779 68.868 0.064 0.000 0.960 112 T HN 0.124 nan 8.240 nan 0.000 0.448 113 P HA 0.084 nan 4.420 nan 0.000 0.263 113 P C -0.809 176.523 177.300 0.053 0.000 1.175 113 P CA -0.112 63.000 63.100 0.020 0.000 0.761 113 P CB 0.324 32.019 31.700 -0.008 0.000 0.794 114 V N 5.165 125.125 119.914 0.076 0.000 2.435 114 V HA 0.318 4.439 4.120 0.002 0.000 0.290 114 V C 0.351 176.511 176.094 0.110 0.000 1.030 114 V CA -0.472 61.894 62.300 0.110 0.000 0.881 114 V CB 1.208 33.111 31.823 0.134 0.000 0.983 114 V HN 0.336 nan 8.190 nan 0.000 0.445 115 L N 5.816 127.111 121.223 0.120 0.000 2.307 115 L HA 0.607 4.948 4.340 0.002 0.000 0.284 115 L C -0.580 176.485 176.870 0.326 0.000 1.023 115 L CA -0.243 54.673 54.840 0.127 0.000 0.810 115 L CB 1.659 43.672 42.059 -0.076 0.000 1.231 115 L HN 0.486 nan 8.230 nan 0.000 0.423 116 I N 2.749 123.563 120.570 0.406 0.000 2.382 116 I HA 0.216 4.387 4.170 0.002 0.000 0.286 116 I C -0.746 175.701 176.117 0.549 0.000 1.002 116 I CA -0.395 61.145 61.300 0.400 0.000 1.135 116 I CB 1.404 39.512 38.000 0.180 0.000 1.288 116 I HN 0.627 nan 8.210 nan 0.000 0.448 117 W N 8.557 130.026 121.300 0.282 0.000 2.351 117 W HA 0.567 5.228 4.660 0.002 0.000 0.311 117 W C -1.519 174.919 176.519 -0.133 0.000 1.168 117 W CA -0.604 56.678 57.345 -0.105 0.000 1.200 117 W CB 1.161 30.582 29.460 -0.066 0.000 1.221 117 W HN 0.353 nan 8.180 nan 0.000 0.519 118 I N 9.185 129.144 120.570 -1.019 0.000 2.390 118 I HA 0.074 4.245 4.170 0.002 0.000 0.283 118 I C -0.132 175.175 176.117 -1.350 0.000 1.016 118 I CA -1.080 59.651 61.300 -0.948 0.000 1.151 118 I CB 0.642 38.256 38.000 -0.643 0.000 1.293 118 I HN 0.300 nan 8.210 nan 0.000 0.458 119 Y N 4.663 124.447 120.300 -0.860 0.000 2.459 119 Y HA 0.648 5.199 4.550 0.002 0.000 0.349 119 Y C 0.798 176.499 175.900 -0.331 0.000 1.266 119 Y CA -0.768 56.962 58.100 -0.616 0.000 1.483 119 Y CB -0.144 38.192 38.460 -0.206 0.000 1.362 119 Y HN 0.501 nan 8.280 nan 0.000 0.628 120 G N -1.342 107.466 108.800 0.012 0.000 2.671 120 G HA2 0.502 4.463 3.960 0.002 0.000 0.275 120 G HA3 0.502 4.463 3.960 0.002 0.000 0.275 120 G C 0.231 175.069 174.900 -0.104 0.000 1.368 120 G CA -0.947 44.083 45.100 -0.116 0.000 1.044 120 G HN 1.690 nan 8.290 nan 0.000 0.543 121 G N -2.831 105.740 108.800 -0.382 0.000 2.332 121 G HA2 0.413 4.374 3.960 0.002 0.000 0.216 121 G HA3 0.413 4.374 3.960 0.002 0.000 0.216 121 G C 1.010 175.318 174.900 -0.986 0.000 1.041 121 G CA 0.751 45.492 45.100 -0.598 0.000 0.836 121 G HN 2.319 nan 8.290 nan 0.000 0.530 122 G N -0.353 107.883 108.800 -0.941 0.000 2.203 122 G HA2 -0.133 3.828 3.960 0.002 0.000 0.263 122 G HA3 -0.133 3.828 3.960 0.002 0.000 0.263 122 G C 0.910 175.478 174.900 -0.553 0.000 1.012 122 G CA 0.729 45.016 45.100 -1.355 0.000 0.749 122 G HN 1.731 nan 8.290 nan 0.000 0.512 123 F N -3.429 116.365 119.950 -0.260 0.000 2.935 123 F HA -0.331 4.197 4.527 0.002 0.000 0.317 123 F C 1.497 177.369 175.800 0.120 0.000 0.699 123 F CA 2.185 60.173 58.000 -0.019 0.000 1.127 123 F CB -2.091 36.758 39.000 -0.252 0.000 1.491 123 F HN 0.888 nan 8.300 nan 0.000 0.337 124 Y N -0.812 119.559 120.300 0.118 0.000 2.445 124 Y HA 0.650 5.201 4.550 0.002 0.000 0.247 124 Y C 0.596 176.601 175.900 0.175 0.000 1.129 124 Y CA 0.177 58.372 58.100 0.159 0.000 1.251 124 Y CB 0.006 38.504 38.460 0.063 0.000 1.176 124 Y HN 0.098 nan 8.280 nan 0.000 0.522 125 S N -1.029 114.476 115.700 -0.325 0.000 2.636 125 S HA 0.868 5.339 4.470 0.002 0.000 0.268 125 S C -0.266 174.181 174.600 -0.254 0.000 1.159 125 S CA -0.464 57.600 58.200 -0.228 0.000 0.815 125 S CB 1.481 64.529 63.200 -0.253 0.000 1.130 125 S HN 1.319 nan 8.310 nan 0.000 0.471 126 G N -0.701 107.910 108.800 -0.315 0.000 2.357 126 G HA2 0.583 4.544 3.960 0.002 0.000 0.643 126 G HA3 0.583 4.544 3.960 0.002 0.000 0.643 126 G C -0.814 173.473 174.900 -1.022 0.000 1.358 126 G CA -0.157 44.551 45.100 -0.654 0.000 0.986 126 G HN 2.261 nan 8.290 nan 0.000 0.620 127 A N -1.243 120.820 122.820 -1.260 0.000 2.582 127 A HA 0.956 5.277 4.320 0.002 0.000 0.297 127 A C 0.536 177.973 177.584 -0.245 0.000 1.059 127 A CA 0.649 52.265 52.037 -0.702 0.000 0.705 127 A CB 0.862 19.657 19.000 -0.341 0.000 1.279 127 A HN 2.580 nan 8.150 nan 0.000 0.404 128 A N 0.745 123.641 122.820 0.127 0.000 2.209 128 A HA 0.245 4.566 4.320 0.002 0.000 0.212 128 A C 1.677 179.332 177.584 0.119 0.000 1.158 128 A CA 1.854 54.125 52.037 0.390 0.000 0.742 128 A CB -0.527 18.753 19.000 0.467 0.000 0.790 128 A HN 1.867 nan 8.150 nan 0.000 0.472 129 S N -0.741 114.781 115.700 -0.297 0.000 2.556 129 S HA 0.353 4.824 4.470 0.002 0.000 0.216 129 S C 0.441 174.650 174.600 -0.653 0.000 0.970 129 S CA -0.481 57.108 58.200 -1.018 0.000 0.912 129 S CB -0.509 61.962 63.200 -1.215 0.000 0.790 129 S HN 0.366 nan 8.310 nan 0.000 0.504 130 L N 2.146 123.121 121.223 -0.413 0.000 2.461 130 L HA 0.184 4.525 4.340 0.002 0.000 0.272 130 L C 1.147 177.696 176.870 -0.534 0.000 1.197 130 L CA -0.472 54.051 54.840 -0.528 0.000 0.836 130 L CB 0.239 41.841 42.059 -0.761 0.000 1.105 130 L HN 0.069 nan 8.230 nan 0.000 0.477 131 D N 0.926 121.047 120.400 -0.465 0.000 2.149 131 D HA -0.148 4.494 4.640 0.002 0.000 0.198 131 D C 1.997 178.021 176.300 -0.459 0.000 0.990 131 D CA 1.322 55.111 54.000 -0.352 0.000 0.839 131 D CB -0.059 40.573 40.800 -0.279 0.000 0.948 131 D HN 0.519 nan 8.370 nan 0.000 0.460 132 V N -1.264 118.227 119.914 -0.705 0.000 2.913 132 V HA -0.171 3.950 4.120 0.002 0.000 0.260 132 V C 1.144 176.666 176.094 -0.954 0.000 1.098 132 V CA 1.087 62.941 62.300 -0.744 0.000 1.121 132 V CB -1.179 30.174 31.823 -0.783 0.000 0.714 132 V HN 0.082 nan 8.190 nan 0.000 0.487 133 Y N 0.229 119.977 120.300 -0.920 0.000 2.532 133 Y HA 0.444 4.995 4.550 0.002 0.000 0.283 133 Y C 0.845 176.167 175.900 -0.964 0.000 1.181 133 Y CA -1.920 55.290 58.100 -1.483 0.000 1.256 133 Y CB -0.971 36.983 38.460 -0.843 0.000 1.112 133 Y HN 0.243 nan 8.280 nan 0.000 0.521 134 D N 0.922 121.031 120.400 -0.485 0.000 2.389 134 D HA 0.026 4.667 4.640 0.002 0.000 0.263 134 D C 1.453 177.465 176.300 -0.480 0.000 1.255 134 D CA 0.505 54.304 54.000 -0.335 0.000 0.914 134 D CB 1.103 41.849 40.800 -0.091 0.000 1.116 134 D HN 0.469 nan 8.370 nan 0.000 0.502 135 G N 4.363 112.311 108.800 -1.421 0.000 2.744 135 G HA2 -0.200 3.761 3.960 0.002 0.000 0.211 135 G HA3 -0.200 3.761 3.960 0.002 0.000 0.211 135 G C 1.506 175.836 174.900 -0.950 0.000 1.143 135 G CA 0.273 44.651 45.100 -1.202 0.000 0.788 135 G HN 0.586 nan 8.290 nan 0.000 0.534 136 R N -0.130 119.763 120.500 -1.012 0.000 2.081 136 R HA -0.081 4.260 4.340 0.002 0.000 0.235 136 R C 1.801 177.848 176.300 -0.420 0.000 1.131 136 R CA 1.331 57.080 56.100 -0.585 0.000 0.960 136 R CB -0.821 29.170 30.300 -0.516 0.000 0.856 136 R HN 0.320 nan 8.270 nan 0.000 0.436 137 F N 1.707 121.571 119.950 -0.144 0.000 2.075 137 F HA -0.060 4.468 4.527 0.002 0.000 0.297 137 F C 2.523 178.273 175.800 -0.082 0.000 1.113 137 F CA 1.104 59.048 58.000 -0.093 0.000 1.218 137 F CB -0.692 38.248 39.000 -0.100 0.000 0.984 137 F HN -0.109 nan 8.300 nan 0.000 0.472 138 L N -0.307 120.957 121.223 0.070 0.000 2.131 138 L HA -0.216 4.125 4.340 0.002 0.000 0.210 138 L C 2.655 179.536 176.870 0.019 0.000 1.092 138 L CA 1.015 55.854 54.840 -0.001 0.000 0.759 138 L CB -0.886 41.124 42.059 -0.083 0.000 0.903 138 L HN 0.200 nan 8.230 nan 0.000 0.435 139 A N -0.932 121.903 122.820 0.024 0.000 1.873 139 A HA -0.229 4.093 4.320 0.002 0.000 0.215 139 A C 2.289 179.918 177.584 0.076 0.000 1.186 139 A CA 1.460 53.548 52.037 0.085 0.000 0.616 139 A CB -0.467 18.626 19.000 0.155 0.000 0.823 139 A HN 0.377 nan 8.150 nan 0.000 0.442 140 Q N -0.087 119.742 119.800 0.048 0.000 2.083 140 Q HA -0.071 4.270 4.340 0.002 0.000 0.198 140 Q C 2.156 178.189 176.000 0.054 0.000 0.969 140 Q CA 1.920 57.754 55.803 0.052 0.000 0.838 140 Q CB -0.165 28.586 28.738 0.022 0.000 0.900 140 Q HN 0.423 nan 8.270 nan 0.000 0.436 141 V N 1.227 121.173 119.914 0.054 0.000 2.302 141 V HA -0.123 3.998 4.120 0.002 0.000 0.243 141 V C 1.863 177.975 176.094 0.031 0.000 1.036 141 V CA 1.605 63.931 62.300 0.044 0.000 1.020 141 V CB -0.285 31.564 31.823 0.043 0.000 0.657 141 V HN 0.223 nan 8.190 nan 0.000 0.453 142 E N 0.004 120.220 120.200 0.027 0.000 2.479 142 E HA 0.160 4.511 4.350 0.002 0.000 0.193 142 E C 1.762 178.380 176.600 0.031 0.000 1.049 142 E CA 0.763 57.175 56.400 0.020 0.000 0.870 142 E CB 0.194 29.898 29.700 0.006 0.000 0.944 142 E HN 0.648 nan 8.360 nan 0.000 0.492 143 G N 1.465 110.294 108.800 0.047 0.000 2.153 143 G HA2 -0.321 3.640 3.960 0.002 0.000 0.252 143 G HA3 -0.321 3.640 3.960 0.002 0.000 0.252 143 G C 0.549 175.491 174.900 0.071 0.000 0.994 143 G CA 0.403 45.540 45.100 0.061 0.000 0.698 143 G HN 0.517 nan 8.290 nan 0.000 0.521 144 A N -0.816 122.043 122.820 0.066 0.000 2.351 144 A HA 0.680 5.001 4.320 0.002 0.000 0.257 144 A C 0.525 178.184 177.584 0.125 0.000 1.087 144 A CA 0.232 52.312 52.037 0.073 0.000 0.798 144 A CB 1.100 20.123 19.000 0.039 0.000 1.033 144 A HN 1.113 nan 8.150 nan 0.000 0.488 145 V N 2.866 122.861 119.914 0.136 0.000 2.318 145 V HA 0.280 4.401 4.120 0.002 0.000 0.271 145 V C -0.081 176.139 176.094 0.209 0.000 1.030 145 V CA -0.032 62.380 62.300 0.186 0.000 0.844 145 V CB 0.559 32.482 31.823 0.166 0.000 1.015 145 V HN 0.701 nan 8.190 nan 0.000 0.460 146 L N 6.472 127.871 121.223 0.294 0.000 2.295 146 L HA 0.685 5.026 4.340 0.002 0.000 0.285 146 L C -0.635 176.521 176.870 0.476 0.000 1.035 146 L CA -0.197 54.864 54.840 0.369 0.000 0.806 146 L CB 1.629 43.896 42.059 0.345 0.000 1.214 146 L HN 0.411 nan 8.230 nan 0.000 0.426 147 V N 3.114 123.283 119.914 0.425 0.000 2.680 147 V HA 0.703 4.824 4.120 0.002 0.000 0.309 147 V C -0.466 175.891 176.094 0.439 0.000 1.052 147 V CA -0.469 62.047 62.300 0.361 0.000 0.908 147 V CB 1.977 33.933 31.823 0.221 0.000 1.001 147 V HN 0.855 nan 8.190 nan 0.000 0.431 148 S N 4.730 120.679 115.700 0.415 0.000 2.540 148 S HA 0.849 5.320 4.470 0.002 0.000 0.275 148 S C -0.901 173.871 174.600 0.286 0.000 1.123 148 S CA -0.847 57.602 58.200 0.416 0.000 0.907 148 S CB 2.216 65.789 63.200 0.622 0.000 1.081 148 S HN 0.885 nan 8.310 nan 0.000 0.476 149 M N 1.376 121.104 119.600 0.213 0.000 2.602 149 M HA 0.650 5.131 4.480 0.002 0.000 0.312 149 M C -1.563 174.961 176.300 0.373 0.000 1.181 149 M CA -0.527 54.902 55.300 0.215 0.000 0.910 149 M CB 1.109 33.679 32.600 -0.050 0.000 1.723 149 M HN 0.551 nan 8.290 nan 0.000 0.459 150 N N 2.599 121.576 118.700 0.461 0.000 2.530 150 N HA 0.553 5.294 4.740 0.002 0.000 0.277 150 N C -1.331 174.457 175.510 0.462 0.000 1.168 150 N CA 0.162 53.490 53.050 0.463 0.000 0.979 150 N CB 0.471 39.161 38.487 0.338 0.000 1.141 150 N HN 0.733 nan 8.380 nan 0.000 0.459 151 Y N -2.101 118.367 120.300 0.279 0.000 2.534 151 Y HA 0.547 5.098 4.550 0.002 0.000 0.345 151 Y C -0.187 175.840 175.900 0.212 0.000 1.031 151 Y CA -1.316 56.902 58.100 0.197 0.000 1.022 151 Y CB 0.924 39.437 38.460 0.088 0.000 1.292 151 Y HN 0.213 nan 8.280 nan 0.000 0.459 152 R N 1.970 122.586 120.500 0.192 0.000 2.537 152 R HA 0.483 4.824 4.340 0.002 0.000 0.280 152 R C -0.213 176.202 176.300 0.193 0.000 1.058 152 R CA -0.117 56.055 56.100 0.120 0.000 1.057 152 R CB 0.859 31.206 30.300 0.079 0.000 0.973 152 R HN 0.721 nan 8.270 nan 0.000 0.438 153 V N -0.184 119.889 119.914 0.265 0.000 3.204 153 V HA 0.850 4.971 4.120 0.002 0.000 0.316 153 V C 0.866 177.245 176.094 0.476 0.000 1.160 153 V CA -0.168 62.392 62.300 0.433 0.000 1.044 153 V CB 1.059 33.055 31.823 0.288 0.000 1.136 153 V HN 0.958 nan 8.190 nan 0.000 0.455 154 G N 1.633 110.734 108.800 0.502 0.000 2.594 154 G HA2 -0.340 3.621 3.960 0.002 0.000 0.297 154 G HA3 -0.340 3.621 3.960 0.002 0.000 0.297 154 G C 1.091 176.042 174.900 0.085 0.000 1.273 154 G CA 1.923 47.220 45.100 0.328 0.000 0.974 154 G HN 2.306 nan 8.290 nan 0.000 0.552 155 T N -1.637 112.687 114.554 -0.384 0.000 2.720 155 T HA -0.092 4.259 4.350 0.002 0.000 0.268 155 T C 2.151 176.700 174.700 -0.253 0.000 1.037 155 T CA 2.590 64.255 62.100 -0.724 0.000 1.144 155 T CB -0.426 67.914 68.868 -0.881 0.000 0.864 155 T HN 0.546 nan 8.240 nan 0.000 0.444 156 F N 2.147 122.143 119.950 0.077 0.000 2.216 156 F HA 0.249 4.777 4.527 0.002 0.000 0.300 156 F C 2.750 178.549 175.800 -0.001 0.000 1.085 156 F CA 0.716 58.729 58.000 0.022 0.000 1.326 156 F CB -0.919 38.053 39.000 -0.047 0.000 1.027 156 F HN 0.374 nan 8.300 nan 0.000 0.497 157 G N -2.078 106.787 108.800 0.107 0.000 2.719 157 G HA2 0.033 3.994 3.960 0.002 0.000 0.211 157 G HA3 0.033 3.994 3.960 0.002 0.000 0.211 157 G C 0.828 175.278 174.900 -0.750 0.000 1.140 157 G CA 0.219 45.124 45.100 -0.325 0.000 0.790 157 G HN 0.349 nan 8.290 nan 0.000 0.529 158 F N -0.722 119.303 119.950 0.125 0.000 2.915 158 F HA 0.427 4.955 4.527 0.002 0.000 0.347 158 F C 0.361 176.226 175.800 0.109 0.000 1.104 158 F CA -0.977 57.078 58.000 0.093 0.000 1.126 158 F CB 0.361 39.422 39.000 0.103 0.000 1.145 158 F HN -0.098 nan 8.300 nan 0.000 0.541 159 L N 2.130 123.387 121.223 0.057 0.000 2.462 159 L HA 0.565 4.906 4.340 0.002 0.000 0.272 159 L C 0.016 176.844 176.870 -0.069 0.000 1.166 159 L CA 0.068 54.848 54.840 -0.101 0.000 0.880 159 L CB 0.452 42.159 42.059 -0.587 0.000 1.142 159 L HN 0.129 nan 8.230 nan 0.000 0.473 160 A N 6.426 129.254 122.820 0.015 0.000 2.393 160 A HA 0.658 4.979 4.320 0.002 0.000 0.306 160 A C -1.054 176.506 177.584 -0.040 0.000 1.050 160 A CA -0.578 51.450 52.037 -0.015 0.000 0.724 160 A CB 1.216 20.238 19.000 0.037 0.000 1.248 160 A HN 0.706 nan 8.150 nan 0.000 0.424 161 L N 3.493 124.678 121.223 -0.063 0.000 2.387 161 L HA 0.308 4.649 4.340 0.002 0.000 0.259 161 L C -2.443 174.413 176.870 -0.022 0.000 1.050 161 L CA -1.883 52.929 54.840 -0.046 0.000 0.922 161 L CB 1.470 43.490 42.059 -0.065 0.000 1.280 161 L HN 0.420 nan 8.230 nan 0.000 0.449 162 P HA 0.016 nan 4.420 nan 0.000 0.262 162 P C 0.974 178.274 177.300 0.000 0.000 1.182 162 P CA 0.880 63.980 63.100 -0.001 0.000 0.761 162 P CB 0.826 32.525 31.700 -0.001 0.000 0.795 163 G N 1.852 110.656 108.800 0.007 0.000 2.225 163 G HA2 -0.247 3.714 3.960 0.002 0.000 0.254 163 G HA3 -0.247 3.714 3.960 0.002 0.000 0.254 163 G C 0.357 175.261 174.900 0.007 0.000 0.988 163 G CA 0.267 45.372 45.100 0.008 0.000 0.625 163 G HN 0.815 nan 8.290 nan 0.000 0.527 164 S N -0.188 115.514 115.700 0.004 0.000 2.584 164 S HA 0.606 5.077 4.470 0.002 0.000 0.273 164 S C 1.164 175.773 174.600 0.015 0.000 1.311 164 S CA 0.316 58.519 58.200 0.005 0.000 1.034 164 S CB 2.013 65.209 63.200 -0.007 0.000 0.939 164 S HN 0.418 nan 8.310 nan 0.000 0.513 165 R N 0.832 121.343 120.500 0.019 0.000 2.153 165 R HA -0.022 4.319 4.340 0.002 0.000 0.218 165 R C 1.307 177.628 176.300 0.037 0.000 1.072 165 R CA 1.232 57.349 56.100 0.027 0.000 0.990 165 R CB -0.034 30.281 30.300 0.025 0.000 0.889 165 R HN 0.925 nan 8.270 nan 0.000 0.452 166 E N -1.038 119.184 120.200 0.036 0.000 2.481 166 E HA 0.086 4.437 4.350 0.002 0.000 0.198 166 E C -0.333 176.314 176.600 0.079 0.000 1.027 166 E CA 0.194 56.629 56.400 0.059 0.000 0.900 166 E CB 1.046 30.781 29.700 0.058 0.000 0.993 166 E HN 0.168 nan 8.360 nan 0.000 0.482 167 A N 2.473 125.314 122.820 0.036 0.000 3.277 167 A HA 0.322 4.643 4.320 0.002 0.000 0.281 167 A C -2.332 175.253 177.584 0.001 0.000 1.179 167 A CA -0.820 51.224 52.037 0.011 0.000 0.879 167 A CB 0.868 19.792 19.000 -0.128 0.000 1.374 167 A HN -0.067 nan 8.150 nan 0.000 0.590 168 P HA 0.222 nan 4.420 nan 0.000 0.236 168 P C 0.864 178.182 177.300 0.030 0.000 1.177 168 P CA 1.569 64.687 63.100 0.029 0.000 0.773 168 P CB 0.275 32.002 31.700 0.045 0.000 0.878 169 G N 0.933 109.748 108.800 0.025 0.000 2.662 169 G HA2 -0.164 3.797 3.960 0.002 0.000 0.686 169 G HA3 -0.164 3.797 3.960 0.002 0.000 0.686 169 G C -0.160 174.744 174.900 0.007 0.000 1.271 169 G CA -0.352 44.766 45.100 0.030 0.000 0.816 169 G HN 0.120 nan 8.290 nan 0.000 0.608 170 N N -2.207 116.497 118.700 0.008 0.000 2.708 170 N HA -0.282 4.459 4.740 0.002 0.000 0.251 170 N C 1.857 177.234 175.510 -0.222 0.000 1.123 170 N CA 2.227 55.223 53.050 -0.090 0.000 0.739 170 N CB -1.669 36.675 38.487 -0.239 0.000 1.113 170 N HN 1.899 nan 8.380 nan 0.000 0.561 171 V N -2.738 117.040 119.914 -0.227 0.000 2.626 171 V HA 0.003 4.124 4.120 0.002 0.000 0.252 171 V C 2.326 178.292 176.094 -0.214 0.000 1.067 171 V CA 2.209 64.416 62.300 -0.155 0.000 1.081 171 V CB -0.856 30.929 31.823 -0.063 0.000 0.686 171 V HN 0.270 nan 8.190 nan 0.000 0.468 172 G N 0.422 108.889 108.800 -0.556 0.000 2.432 172 G HA2 -0.131 3.830 3.960 0.002 0.000 0.219 172 G HA3 -0.131 3.830 3.960 0.002 0.000 0.219 172 G C 1.540 176.414 174.900 -0.044 0.000 1.135 172 G CA 1.136 46.038 45.100 -0.331 0.000 0.767 172 G HN 0.542 nan 8.290 nan 0.000 0.550 173 L N -0.248 120.903 121.223 -0.120 0.000 2.109 173 L HA 0.113 4.454 4.340 0.002 0.000 0.207 173 L C 2.789 179.695 176.870 0.060 0.000 1.086 173 L CA 0.309 55.061 54.840 -0.146 0.000 0.760 173 L CB -0.266 41.387 42.059 -0.676 0.000 0.910 173 L HN 0.166 nan 8.230 nan 0.000 0.437 174 L N -0.507 120.752 121.223 0.061 0.000 2.141 174 L HA -0.200 4.142 4.340 0.002 0.000 0.209 174 L C 2.165 179.156 176.870 0.201 0.000 1.094 174 L CA 0.803 55.769 54.840 0.211 0.000 0.763 174 L CB -0.579 41.582 42.059 0.170 0.000 0.908 174 L HN 0.281 nan 8.230 nan 0.000 0.437 175 D N 0.039 120.545 120.400 0.177 0.000 2.092 175 D HA -0.222 4.419 4.640 0.002 0.000 0.193 175 D C 2.250 178.675 176.300 0.209 0.000 0.994 175 D CA 1.269 55.443 54.000 0.290 0.000 0.828 175 D CB -0.258 40.736 40.800 0.323 0.000 0.963 175 D HN 0.379 nan 8.370 nan 0.000 0.450 176 Q N 0.125 119.993 119.800 0.113 0.000 2.061 176 Q HA -0.172 4.169 4.340 0.002 0.000 0.204 176 Q C 2.309 178.289 176.000 -0.034 0.000 0.984 176 Q CA 1.241 57.031 55.803 -0.021 0.000 0.846 176 Q CB -0.128 28.605 28.738 -0.008 0.000 0.902 176 Q HN 0.208 nan 8.270 nan 0.000 0.421 177 R N 0.471 121.065 120.500 0.156 0.000 2.091 177 R HA -0.191 4.151 4.340 0.002 0.000 0.238 177 R C 2.200 178.544 176.300 0.074 0.000 1.136 177 R CA 1.135 57.314 56.100 0.133 0.000 0.959 177 R CB -0.228 30.251 30.300 0.298 0.000 0.856 177 R HN 0.220 nan 8.270 nan 0.000 0.437 178 L N 0.616 121.906 121.223 0.112 0.000 2.046 178 L HA -0.036 4.305 4.340 0.002 0.000 0.208 178 L C 2.267 179.150 176.870 0.022 0.000 1.077 178 L CA 2.104 57.032 54.840 0.148 0.000 0.747 178 L CB -0.722 41.517 42.059 0.301 0.000 0.896 178 L HN 0.249 nan 8.230 nan 0.000 0.432 179 A N -0.883 121.726 122.820 -0.352 0.000 1.940 179 A HA -0.183 4.138 4.320 0.002 0.000 0.219 179 A C 2.152 179.667 177.584 -0.116 0.000 1.176 179 A CA 1.879 53.571 52.037 -0.575 0.000 0.631 179 A CB -0.801 17.619 19.000 -0.966 0.000 0.814 179 A HN 0.420 nan 8.150 nan 0.000 0.446 180 L N -0.326 120.840 121.223 -0.094 0.000 2.017 180 L HA -0.230 4.111 4.340 0.002 0.000 0.208 180 L C 2.733 179.642 176.870 0.066 0.000 1.073 180 L CA 2.202 57.030 54.840 -0.020 0.000 0.745 180 L CB -0.878 41.127 42.059 -0.089 0.000 0.894 180 L HN 0.469 nan 8.230 nan 0.000 0.432 181 Q N -2.272 117.577 119.800 0.082 0.000 2.135 181 Q HA -0.280 4.061 4.340 0.002 0.000 0.204 181 Q C 2.121 178.205 176.000 0.141 0.000 0.981 181 Q CA 1.949 57.813 55.803 0.101 0.000 0.856 181 Q CB -0.422 28.379 28.738 0.106 0.000 0.902 181 Q HN 0.603 nan 8.270 nan 0.000 0.425 182 W N 0.354 121.663 121.300 0.015 0.000 2.358 182 W HA -0.217 4.444 4.660 0.002 0.000 0.303 182 W C 1.865 178.413 176.519 0.048 0.000 1.208 182 W CA 1.273 58.648 57.345 0.050 0.000 1.274 182 W CB -0.090 29.403 29.460 0.054 0.000 1.138 182 W HN -0.148 nan 8.180 nan 0.000 0.515 183 V N 0.832 120.954 119.914 0.346 0.000 2.295 183 V HA -0.360 3.761 4.120 0.002 0.000 0.246 183 V C 2.549 178.671 176.094 0.048 0.000 1.049 183 V CA 2.105 64.537 62.300 0.220 0.000 1.024 183 V CB -1.015 30.934 31.823 0.210 0.000 0.648 183 V HN 0.209 nan 8.190 nan 0.000 0.447 184 Q N -0.144 119.683 119.800 0.044 0.000 2.096 184 Q HA -0.228 4.113 4.340 0.002 0.000 0.204 184 Q C 2.205 178.177 176.000 -0.048 0.000 0.982 184 Q CA 1.753 57.566 55.803 0.015 0.000 0.850 184 Q CB -0.313 28.440 28.738 0.026 0.000 0.901 184 Q HN 0.727 nan 8.270 nan 0.000 0.422 185 E N -0.194 119.942 120.200 -0.107 0.000 2.208 185 E HA -0.047 4.304 4.350 0.002 0.000 0.193 185 E C 1.289 177.730 176.600 -0.265 0.000 0.988 185 E CA 0.551 56.849 56.400 -0.170 0.000 0.828 185 E CB 0.201 29.792 29.700 -0.181 0.000 0.763 185 E HN 0.353 nan 8.360 nan 0.000 0.478 186 N N -0.223 118.238 118.700 -0.399 0.000 2.297 186 N HA 0.022 4.763 4.740 0.002 0.000 0.208 186 N C 1.504 176.928 175.510 -0.143 0.000 1.176 186 N CA 0.013 52.779 53.050 -0.472 0.000 0.882 186 N CB 0.449 38.224 38.487 -1.188 0.000 1.134 186 N HN 0.018 nan 8.380 nan 0.000 0.489 187 I N 2.624 123.168 120.570 -0.044 0.000 2.454 187 I HA -0.129 4.042 4.170 0.002 0.000 0.254 187 I C 2.224 178.458 176.117 0.194 0.000 1.156 187 I CA 0.615 62.014 61.300 0.165 0.000 1.433 187 I CB -0.345 37.729 38.000 0.123 0.000 1.082 187 I HN 0.064 nan 8.210 nan 0.000 0.432 188 A N 0.296 123.159 122.820 0.072 0.000 1.940 188 A HA -0.198 4.123 4.320 0.002 0.000 0.219 188 A C 2.515 180.109 177.584 0.017 0.000 1.176 188 A CA 1.825 53.886 52.037 0.040 0.000 0.631 188 A CB -1.199 17.798 19.000 -0.005 0.000 0.814 188 A HN 0.474 nan 8.150 nan 0.000 0.446 189 A N -1.522 121.273 122.820 -0.041 0.000 2.032 189 A HA -0.035 4.286 4.320 0.002 0.000 0.221 189 A C 1.662 179.082 177.584 -0.274 0.000 1.165 189 A CA 1.494 53.413 52.037 -0.196 0.000 0.645 189 A CB -0.690 18.106 19.000 -0.340 0.000 0.807 189 A HN 0.526 nan 8.150 nan 0.000 0.453 190 F N -1.459 118.448 119.950 -0.071 0.000 2.727 190 F HA 0.373 4.901 4.527 0.002 0.000 0.302 190 F C 1.824 177.636 175.800 0.020 0.000 1.097 190 F CA 0.599 58.573 58.000 -0.043 0.000 1.330 190 F CB 0.270 39.257 39.000 -0.023 0.000 1.084 190 F HN 0.344 nan 8.300 nan 0.000 0.578 191 G N 0.241 109.136 108.800 0.158 0.000 2.157 191 G HA2 -0.198 3.763 3.960 0.002 0.000 0.239 191 G HA3 -0.198 3.763 3.960 0.002 0.000 0.239 191 G C 0.724 175.696 174.900 0.119 0.000 0.982 191 G CA -0.266 44.901 45.100 0.111 0.000 0.650 191 G HN 0.711 nan 8.290 nan 0.000 0.527 192 G N -0.474 108.418 108.800 0.153 0.000 2.569 192 G HA2 0.429 4.391 3.960 0.002 0.000 0.249 192 G HA3 0.429 4.391 3.960 0.002 0.000 0.249 192 G C -0.534 174.416 174.900 0.082 0.000 1.216 192 G CA 0.403 45.576 45.100 0.122 0.000 0.845 192 G HN 0.233 nan 8.290 nan 0.000 0.568 193 D N 1.074 121.513 120.400 0.067 0.000 2.443 193 D HA 0.288 4.929 4.640 0.002 0.000 0.221 193 D C -1.198 175.138 176.300 0.059 0.000 1.097 193 D CA -2.318 51.706 54.000 0.041 0.000 0.865 193 D CB 1.815 42.622 40.800 0.011 0.000 1.034 193 D HN 0.045 nan 8.370 nan 0.000 0.511 194 P HA -0.056 nan 4.420 nan 0.000 0.230 194 P C 1.149 178.545 177.300 0.159 0.000 1.158 194 P CA 0.573 63.734 63.100 0.103 0.000 0.769 194 P CB 0.171 31.911 31.700 0.066 0.000 0.807 195 M N -1.322 118.311 119.600 0.056 0.000 2.561 195 M HA 0.095 4.576 4.480 0.002 0.000 0.238 195 M C 0.619 176.658 176.300 -0.435 0.000 1.131 195 M CA 0.513 55.770 55.300 -0.073 0.000 1.046 195 M CB 0.124 32.668 32.600 -0.094 0.000 1.532 195 M HN -0.160 nan 8.290 nan 0.000 0.497 196 S N 1.048 116.657 115.700 -0.152 0.000 2.383 196 S HA 0.435 4.906 4.470 0.002 0.000 0.196 196 S C -1.060 173.623 174.600 0.138 0.000 1.364 196 S CA -0.487 57.629 58.200 -0.140 0.000 1.212 196 S CB 0.612 63.735 63.200 -0.127 0.000 1.171 196 S HN 0.010 nan 8.310 nan 0.000 0.456 197 V N 4.181 124.355 119.914 0.433 0.000 2.409 197 V HA 0.533 4.654 4.120 0.002 0.000 0.291 197 V C -0.051 176.216 176.094 0.289 0.000 1.020 197 V CA -0.460 62.024 62.300 0.307 0.000 0.848 197 V CB 1.936 33.923 31.823 0.274 0.000 0.990 197 V HN 0.749 nan 8.190 nan 0.000 0.430 198 T N 6.710 121.377 114.554 0.188 0.000 2.756 198 T HA 0.569 4.920 4.350 0.002 0.000 0.290 198 T C -0.133 174.684 174.700 0.195 0.000 0.985 198 T CA -0.309 61.898 62.100 0.178 0.000 0.955 198 T CB 0.683 69.600 68.868 0.081 0.000 0.930 198 T HN 0.331 nan 8.240 nan 0.000 0.451 199 L N 4.710 126.025 121.223 0.153 0.000 2.395 199 L HA 0.662 5.003 4.340 0.002 0.000 0.269 199 L C -0.316 176.757 176.870 0.338 0.000 1.133 199 L CA -0.686 54.218 54.840 0.106 0.000 0.812 199 L CB 0.318 42.215 42.059 -0.271 0.000 1.125 199 L HN 0.636 nan 8.230 nan 0.000 0.452 200 F N 0.274 120.270 119.950 0.077 0.000 2.641 200 F HA 0.911 5.439 4.527 0.002 0.000 0.308 200 F C -0.465 175.311 175.800 -0.040 0.000 1.105 200 F CA -1.414 56.678 58.000 0.155 0.000 0.964 200 F CB 1.350 40.583 39.000 0.389 0.000 1.294 200 F HN 0.480 nan 8.300 nan 0.000 0.442 201 G N 1.207 109.858 108.800 -0.249 0.000 2.623 201 G HA2 0.508 4.469 3.960 0.002 0.000 0.290 201 G HA3 0.508 4.469 3.960 0.002 0.000 0.290 201 G C -2.505 172.175 174.900 -0.368 0.000 1.437 201 G CA -0.787 43.791 45.100 -0.870 0.000 0.798 201 G HN 0.865 nan 8.290 nan 0.000 0.488 202 E N -0.061 119.881 120.200 -0.430 0.000 2.238 202 E HA 0.626 4.977 4.350 0.002 0.000 0.267 202 E C 0.677 177.213 176.600 -0.107 0.000 0.887 202 E CA 0.572 56.938 56.400 -0.057 0.000 0.769 202 E CB 2.012 31.812 29.700 0.166 0.000 1.187 202 E HN 1.814 nan 8.360 nan 0.000 0.416 203 A N 3.299 126.130 122.820 0.018 0.000 5.369 203 A HA -0.370 3.951 4.320 0.002 0.000 0.298 203 A C 1.576 179.235 177.584 0.124 0.000 2.000 203 A CA 1.880 53.988 52.037 0.118 0.000 0.716 203 A CB -2.165 16.829 19.000 -0.010 0.000 1.248 203 A HN 1.270 nan 8.150 nan 0.000 0.365 204 A N -1.289 121.486 122.820 -0.074 0.000 1.986 204 A HA 0.142 4.463 4.320 0.002 0.000 0.220 204 A C 2.892 180.215 177.584 -0.435 0.000 1.171 204 A CA 2.779 54.587 52.037 -0.382 0.000 0.640 204 A CB -1.561 16.831 19.000 -1.013 0.000 0.811 204 A HN 2.493 nan 8.150 nan 0.000 0.451 205 G N -0.837 107.754 108.800 -0.350 0.000 2.432 205 G HA2 0.030 3.991 3.960 0.002 0.000 0.219 205 G HA3 0.030 3.991 3.960 0.002 0.000 0.219 205 G C 1.664 176.387 174.900 -0.296 0.000 1.135 205 G CA 1.318 46.167 45.100 -0.417 0.000 0.767 205 G HN 0.807 nan 8.290 nan 0.000 0.550 206 A N 1.067 123.792 122.820 -0.158 0.000 1.897 206 A HA 0.408 4.730 4.320 0.002 0.000 0.215 206 A C 2.796 180.363 177.584 -0.027 0.000 1.181 206 A CA 1.881 53.883 52.037 -0.059 0.000 0.620 206 A CB -0.693 18.327 19.000 0.034 0.000 0.821 206 A HN 0.690 nan 8.150 nan 0.000 0.443 207 A N -0.287 122.540 122.820 0.012 0.000 1.908 207 A HA -0.096 4.225 4.320 0.002 0.000 0.218 207 A C 2.432 180.023 177.584 0.012 0.000 1.181 207 A CA 2.128 54.167 52.037 0.003 0.000 0.627 207 A CB -0.887 18.130 19.000 0.029 0.000 0.818 207 A HN 0.441 nan 8.150 nan 0.000 0.445 208 S N -0.465 115.238 115.700 0.005 0.000 2.359 208 S HA -0.146 4.325 4.470 0.002 0.000 0.224 208 S C 1.905 176.483 174.600 -0.036 0.000 1.035 208 S CA 1.450 59.621 58.200 -0.049 0.000 1.018 208 S CB -0.537 62.572 63.200 -0.150 0.000 0.876 208 S HN 0.353 nan 8.310 nan 0.000 0.448 209 V N 1.687 121.575 119.914 -0.043 0.000 2.287 209 V HA -0.184 3.937 4.120 0.002 0.000 0.248 209 V C 2.633 178.728 176.094 0.003 0.000 1.053 209 V CA 2.020 64.299 62.300 -0.035 0.000 1.027 209 V CB -1.519 30.254 31.823 -0.084 0.000 0.646 209 V HN 0.599 nan 8.190 nan 0.000 0.447 210 G N -0.966 107.829 108.800 -0.008 0.000 2.440 210 G HA2 -0.300 3.661 3.960 0.002 0.000 0.218 210 G HA3 -0.300 3.661 3.960 0.002 0.000 0.218 210 G C 1.632 176.552 174.900 0.033 0.000 1.154 210 G CA 1.167 46.267 45.100 0.001 0.000 0.767 210 G HN 0.442 nan 8.290 nan 0.000 0.552 211 M N -0.385 119.216 119.600 0.002 0.000 2.213 211 M HA -0.011 4.470 4.480 0.002 0.000 0.263 211 M C 2.233 178.593 176.300 0.101 0.000 1.062 211 M CA 1.213 56.536 55.300 0.038 0.000 1.105 211 M CB -0.202 32.386 32.600 -0.020 0.000 1.385 211 M HN 0.358 nan 8.290 nan 0.000 0.417 212 H N -0.426 118.749 119.070 0.176 0.000 2.389 212 H HA -0.026 4.531 4.556 0.002 0.000 0.299 212 H C 1.933 177.456 175.328 0.323 0.000 1.081 212 H CA 1.471 57.637 56.048 0.196 0.000 1.345 212 H CB -0.038 29.733 29.762 0.015 0.000 1.393 212 H HN 0.304 nan 8.280 nan 0.000 0.520 213 I N 0.391 121.221 120.570 0.434 0.000 2.264 213 I HA -0.246 3.925 4.170 0.002 0.000 0.248 213 I C 1.288 177.593 176.117 0.312 0.000 1.111 213 I CA 1.246 62.807 61.300 0.436 0.000 1.382 213 I CB -0.072 38.095 38.000 0.278 0.000 1.060 213 I HN 0.251 nan 8.210 nan 0.000 0.418 214 L N -0.762 120.596 121.223 0.223 0.000 2.612 214 L HA 0.107 4.448 4.340 0.002 0.000 0.230 214 L C 0.772 177.691 176.870 0.082 0.000 1.140 214 L CA 0.036 54.983 54.840 0.179 0.000 0.896 214 L CB -0.060 42.082 42.059 0.139 0.000 1.065 214 L HN 0.025 nan 8.230 nan 0.000 0.447 215 S N -0.448 115.273 115.700 0.035 0.000 2.707 215 S HA 0.291 4.762 4.470 0.002 0.000 0.312 215 S C 0.635 175.171 174.600 -0.106 0.000 1.116 215 S CA -0.616 57.496 58.200 -0.147 0.000 1.078 215 S CB 1.410 64.288 63.200 -0.536 0.000 0.997 215 S HN 0.123 nan 8.310 nan 0.000 0.477 216 L N 6.785 127.949 121.223 -0.100 0.000 1.997 216 L HA 0.018 4.359 4.340 0.002 0.000 0.216 216 L C -0.934 175.892 176.870 -0.072 0.000 1.074 216 L CA 2.274 57.070 54.840 -0.073 0.000 0.763 216 L CB -0.914 41.103 42.059 -0.071 0.000 0.890 216 L HN 0.520 nan 8.230 nan 0.000 0.434 217 P HA -0.088 nan 4.420 nan 0.000 0.223 217 P C 1.544 178.833 177.300 -0.018 0.000 1.144 217 P CA 1.216 64.279 63.100 -0.062 0.000 0.783 217 P CB 0.055 31.709 31.700 -0.077 0.000 0.771 218 S N -1.072 114.635 115.700 0.011 0.000 2.470 218 S HA 0.030 4.501 4.470 0.002 0.000 0.225 218 S C 1.778 176.480 174.600 0.168 0.000 1.006 218 S CA 0.384 58.680 58.200 0.159 0.000 0.934 218 S CB -0.302 63.115 63.200 0.361 0.000 0.778 218 S HN 0.076 nan 8.310 nan 0.000 0.517 219 R N 1.860 122.367 120.500 0.013 0.000 2.237 219 R HA 0.043 4.384 4.340 0.002 0.000 0.219 219 R C 2.053 178.166 176.300 -0.312 0.000 1.080 219 R CA 0.993 56.954 56.100 -0.231 0.000 0.995 219 R CB -0.884 29.316 30.300 -0.168 0.000 0.875 219 R HN 0.529 nan 8.270 nan 0.000 0.462 220 S N -0.432 115.175 115.700 -0.156 0.000 2.671 220 S HA 0.128 4.600 4.470 0.002 0.000 0.220 220 S C 1.401 175.919 174.600 -0.136 0.000 0.951 220 S CA -0.083 58.030 58.200 -0.145 0.000 0.932 220 S CB -0.071 63.085 63.200 -0.074 0.000 0.777 220 S HN 0.219 nan 8.310 nan 0.000 0.508 221 L N 0.315 121.474 121.223 -0.108 0.000 2.858 221 L HA 0.529 4.870 4.340 0.002 0.000 0.251 221 L C -0.108 176.790 176.870 0.046 0.000 1.149 221 L CA -0.451 54.388 54.840 -0.003 0.000 0.955 221 L CB 0.108 42.215 42.059 0.080 0.000 1.289 221 L HN 0.507 nan 8.230 nan 0.000 0.542 222 F N -3.511 116.230 119.950 -0.349 0.000 2.779 222 F HA 0.493 5.021 4.527 0.002 0.000 0.316 222 F C 0.179 175.620 175.800 -0.599 0.000 1.164 222 F CA -0.998 56.763 58.000 -0.398 0.000 0.924 222 F CB 0.963 39.887 39.000 -0.126 0.000 1.348 222 F HN -0.113 nan 8.300 nan 0.000 0.467 223 H N -1.486 117.628 119.070 0.073 0.000 3.436 223 H HA 0.512 5.069 4.556 0.002 0.000 0.244 223 H C -0.325 175.026 175.328 0.039 0.000 1.009 223 H CA -0.273 55.741 56.048 -0.057 0.000 1.129 223 H CB 0.781 30.518 29.762 -0.040 0.000 1.473 223 H HN 0.391 nan 8.280 nan 0.000 0.510 224 R N 0.254 120.945 120.500 0.318 0.000 2.774 224 R HA 0.821 5.162 4.340 0.002 0.000 0.272 224 R C -1.514 175.046 176.300 0.434 0.000 1.000 224 R CA -0.866 55.390 56.100 0.261 0.000 0.906 224 R CB 2.627 32.878 30.300 -0.083 0.000 1.227 224 R HN 0.164 nan 8.270 nan 0.000 0.468 225 A N 1.107 124.193 122.820 0.443 0.000 2.486 225 A HA 0.690 5.012 4.320 0.002 0.000 0.300 225 A C -1.427 176.335 177.584 0.297 0.000 1.048 225 A CA -0.615 51.619 52.037 0.328 0.000 0.696 225 A CB 1.870 21.029 19.000 0.264 0.000 1.278 225 A HN 0.313 nan 8.150 nan 0.000 0.405 226 V N 2.168 122.216 119.914 0.223 0.000 2.531 226 V HA 0.515 4.636 4.120 0.002 0.000 0.301 226 V C -1.167 175.034 176.094 0.177 0.000 1.034 226 V CA -0.337 62.038 62.300 0.126 0.000 0.865 226 V CB 1.305 33.235 31.823 0.178 0.000 0.995 226 V HN 0.688 nan 8.190 nan 0.000 0.424 227 L N 5.144 126.439 121.223 0.119 0.000 2.318 227 L HA 0.527 4.868 4.340 0.002 0.000 0.277 227 L C -0.027 176.943 176.870 0.166 0.000 1.008 227 L CA -0.003 54.900 54.840 0.104 0.000 0.846 227 L CB 1.547 43.624 42.059 0.030 0.000 1.220 227 L HN 0.627 nan 8.230 nan 0.000 0.423 228 Q N 2.051 121.993 119.800 0.236 0.000 2.368 228 Q HA 0.461 4.803 4.340 0.002 0.000 0.256 228 Q C 0.127 176.250 176.000 0.204 0.000 0.980 228 Q CA -0.513 55.482 55.803 0.319 0.000 0.887 228 Q CB 1.280 30.298 28.738 0.465 0.000 1.221 228 Q HN 0.623 nan 8.270 nan 0.000 0.458 229 S N 0.978 116.782 115.700 0.174 0.000 3.682 229 S HA -0.151 4.320 4.470 0.002 0.000 0.354 229 S C 0.020 174.792 174.600 0.287 0.000 1.034 229 S CA 0.539 58.867 58.200 0.214 0.000 1.084 229 S CB -1.192 62.152 63.200 0.240 0.000 0.903 229 S HN 1.010 nan 8.310 nan 0.000 0.470 230 G N -0.430 108.504 108.800 0.222 0.000 2.556 230 G HA2 0.629 4.590 3.960 0.002 0.000 0.294 230 G HA3 0.629 4.590 3.960 0.002 0.000 0.294 230 G C -0.958 174.016 174.900 0.124 0.000 1.516 230 G CA 0.200 45.487 45.100 0.312 0.000 0.824 230 G HN 0.955 nan 8.290 nan 0.000 0.535 231 T N -1.042 113.533 114.554 0.035 0.000 2.894 231 T HA 0.724 5.075 4.350 0.002 0.000 0.309 231 T C -2.311 172.259 174.700 -0.217 0.000 1.208 231 T CA -1.344 60.697 62.100 -0.098 0.000 1.016 231 T CB 3.012 71.806 68.868 -0.123 0.000 1.192 231 T HN 0.287 nan 8.240 nan 0.000 0.491 232 P HA -0.038 nan 4.420 nan 0.000 0.219 232 P C 0.327 177.476 177.300 -0.252 0.000 1.150 232 P CA 0.753 63.739 63.100 -0.190 0.000 0.814 232 P CB -0.084 31.555 31.700 -0.103 0.000 0.787 233 N N 0.645 119.213 118.700 -0.219 0.000 2.381 233 N HA 0.302 5.043 4.740 0.002 0.000 0.254 233 N C 0.757 176.067 175.510 -0.334 0.000 1.264 233 N CA 0.638 53.553 53.050 -0.224 0.000 0.942 233 N CB 0.369 38.767 38.487 -0.148 0.000 1.190 233 N HN 0.221 nan 8.380 nan 0.000 0.495 234 G N -0.841 107.776 108.800 -0.304 0.000 2.434 234 G HA2 -0.091 3.870 3.960 0.002 0.000 0.671 234 G HA3 -0.091 3.870 3.960 0.002 0.000 0.671 234 G C -2.429 172.239 174.900 -0.387 0.000 1.280 234 G CA -0.275 44.600 45.100 -0.373 0.000 0.975 234 G HN 0.493 nan 8.290 nan 0.000 0.510 235 P HA 0.151 nan 4.420 nan 0.000 0.227 235 P C 1.488 178.712 177.300 -0.127 0.000 1.161 235 P CA 1.897 64.861 63.100 -0.227 0.000 0.788 235 P CB -0.011 31.523 31.700 -0.276 0.000 0.822 236 W N -1.776 119.424 121.300 -0.166 0.000 2.975 236 W HA 0.615 5.276 4.660 0.002 0.000 0.316 236 W C 0.903 177.484 176.519 0.103 0.000 1.131 236 W CA 0.418 57.737 57.345 -0.043 0.000 1.624 236 W CB -0.738 28.717 29.460 -0.009 0.000 1.038 236 W HN -0.166 nan 8.180 nan 0.000 0.571 237 A N 1.807 124.283 122.820 -0.574 0.000 2.081 237 A HA 0.183 4.504 4.320 0.002 0.000 0.214 237 A C 1.059 178.448 177.584 -0.325 0.000 1.158 237 A CA 1.656 53.380 52.037 -0.522 0.000 0.724 237 A CB -0.665 17.780 19.000 -0.925 0.000 0.826 237 A HN 0.182 nan 8.150 nan 0.000 0.463 238 T N -2.660 111.732 114.554 -0.269 0.000 2.896 238 T HA 0.616 4.967 4.350 0.002 0.000 0.297 238 T C -0.586 174.020 174.700 -0.157 0.000 1.108 238 T CA -0.126 61.836 62.100 -0.230 0.000 1.004 238 T CB 1.423 70.171 68.868 -0.200 0.000 1.159 238 T HN 0.816 nan 8.240 nan 0.000 0.499 239 V N -1.046 118.786 119.914 -0.137 0.000 3.046 239 V HA 0.916 5.037 4.120 0.002 0.000 0.316 239 V C 0.384 176.429 176.094 -0.080 0.000 1.104 239 V CA -0.910 61.330 62.300 -0.101 0.000 1.006 239 V CB 1.347 33.111 31.823 -0.100 0.000 1.058 239 V HN 1.340 nan 8.190 nan 0.000 0.440 240 S N 1.510 117.172 115.700 -0.065 0.000 2.600 240 S HA 0.570 5.041 4.470 0.002 0.000 0.265 240 S C 1.371 175.947 174.600 -0.041 0.000 1.325 240 S CA 0.091 58.262 58.200 -0.049 0.000 1.002 240 S CB 1.151 64.325 63.200 -0.042 0.000 0.921 240 S HN 1.878 nan 8.310 nan 0.000 0.554 241 A N 2.206 125.008 122.820 -0.029 0.000 1.883 241 A HA 0.097 4.418 4.320 0.002 0.000 0.217 241 A C 2.268 179.838 177.584 -0.023 0.000 1.186 241 A CA 1.834 53.859 52.037 -0.021 0.000 0.624 241 A CB -1.937 17.056 19.000 -0.012 0.000 0.822 241 A HN 1.207 nan 8.150 nan 0.000 0.444 242 G N -0.469 108.317 108.800 -0.025 0.000 2.469 242 G HA2 -0.302 3.659 3.960 0.002 0.000 0.219 242 G HA3 -0.302 3.659 3.960 0.002 0.000 0.219 242 G C 1.473 176.353 174.900 -0.032 0.000 1.150 242 G CA 1.507 46.591 45.100 -0.025 0.000 0.763 242 G HN 0.606 nan 8.290 nan 0.000 0.561 243 E N 0.737 120.912 120.200 -0.041 0.000 2.208 243 E HA 0.166 4.517 4.350 0.002 0.000 0.193 243 E C 2.577 179.136 176.600 -0.069 0.000 0.988 243 E CA 1.246 57.612 56.400 -0.056 0.000 0.828 243 E CB -0.411 29.251 29.700 -0.063 0.000 0.763 243 E HN 0.299 nan 8.360 nan 0.000 0.478 244 A N 0.851 123.638 122.820 -0.054 0.000 1.872 244 A HA -0.123 4.198 4.320 0.002 0.000 0.214 244 A C 2.261 179.835 177.584 -0.016 0.000 1.187 244 A CA 1.533 53.546 52.037 -0.040 0.000 0.614 244 A CB -0.587 18.408 19.000 -0.008 0.000 0.826 244 A HN 0.266 nan 8.150 nan 0.000 0.442 245 R N -0.441 120.048 120.500 -0.018 0.000 2.096 245 R HA -0.183 4.158 4.340 0.002 0.000 0.240 245 R C 2.445 178.735 176.300 -0.017 0.000 1.139 245 R CA 1.876 57.966 56.100 -0.016 0.000 0.952 245 R CB -0.339 29.950 30.300 -0.018 0.000 0.854 245 R HN 0.512 nan 8.270 nan 0.000 0.436 246 R N 0.276 120.760 120.500 -0.027 0.000 2.083 246 R HA -0.138 4.203 4.340 0.002 0.000 0.237 246 R C 2.322 178.606 176.300 -0.027 0.000 1.137 246 R CA 1.981 58.065 56.100 -0.028 0.000 0.951 246 R CB -0.116 30.162 30.300 -0.036 0.000 0.851 246 R HN 0.308 nan 8.270 nan 0.000 0.434 247 R N -0.417 120.051 120.500 -0.054 0.000 2.092 247 R HA -0.061 4.280 4.340 0.002 0.000 0.231 247 R C 2.283 178.623 176.300 0.066 0.000 1.119 247 R CA 1.243 57.294 56.100 -0.081 0.000 0.970 247 R CB -0.262 29.853 30.300 -0.308 0.000 0.864 247 R HN 0.238 nan 8.270 nan 0.000 0.440 248 A N 0.628 123.516 122.820 0.114 0.000 1.897 248 A HA -0.159 4.162 4.320 0.002 0.000 0.215 248 A C 2.282 179.884 177.584 0.029 0.000 1.181 248 A CA 1.925 54.040 52.037 0.131 0.000 0.620 248 A CB -0.806 18.218 19.000 0.040 0.000 0.821 248 A HN 0.404 nan 8.150 nan 0.000 0.443 249 T N -1.368 113.189 114.554 0.006 0.000 2.904 249 T HA -0.098 4.253 4.350 0.002 0.000 0.267 249 T C 1.781 176.482 174.700 0.002 0.000 1.059 249 T CA 1.543 63.638 62.100 -0.008 0.000 1.137 249 T CB -0.379 68.480 68.868 -0.015 0.000 0.879 249 T HN 0.207 nan 8.240 nan 0.000 0.467 250 L N 0.681 121.913 121.223 0.015 0.000 2.027 250 L HA 0.233 4.574 4.340 0.002 0.000 0.206 250 L C 2.310 179.199 176.870 0.032 0.000 1.074 250 L CA 1.669 56.521 54.840 0.020 0.000 0.745 250 L CB -1.164 40.908 42.059 0.021 0.000 0.898 250 L HN 0.390 nan 8.230 nan 0.000 0.433 251 L N -0.149 121.116 121.223 0.070 0.000 2.083 251 L HA -0.115 4.226 4.340 0.002 0.000 0.209 251 L C 2.471 179.341 176.870 0.001 0.000 1.083 251 L CA 1.969 56.854 54.840 0.075 0.000 0.752 251 L CB -0.792 41.365 42.059 0.164 0.000 0.899 251 L HN 0.297 nan 8.230 nan 0.000 0.433 252 A N -0.617 122.197 122.820 -0.010 0.000 1.933 252 A HA -0.235 4.086 4.320 0.002 0.000 0.218 252 A C 2.516 180.081 177.584 -0.032 0.000 1.175 252 A CA 1.724 53.744 52.037 -0.028 0.000 0.628 252 A CB -0.638 18.342 19.000 -0.034 0.000 0.814 252 A HN 0.493 nan 8.150 nan 0.000 0.444 253 R N -0.465 120.018 120.500 -0.028 0.000 2.075 253 R HA -0.024 4.317 4.340 0.002 0.000 0.232 253 R C 1.895 178.157 176.300 -0.063 0.000 1.126 253 R CA 1.333 57.414 56.100 -0.032 0.000 0.963 253 R CB -0.355 29.934 30.300 -0.018 0.000 0.858 253 R HN 0.549 nan 8.270 nan 0.000 0.435 254 L N 0.589 121.752 121.223 -0.100 0.000 2.201 254 L HA -0.098 4.244 4.340 0.002 0.000 0.212 254 L C 1.854 178.513 176.870 -0.352 0.000 1.105 254 L CA 0.737 55.431 54.840 -0.243 0.000 0.775 254 L CB -0.005 41.876 42.059 -0.296 0.000 0.913 254 L HN 0.162 nan 8.230 nan 0.000 0.440 255 V N -4.055 115.744 119.914 -0.192 0.000 3.376 255 V HA 0.534 4.655 4.120 0.002 0.000 0.313 255 V C 1.136 177.207 176.094 -0.037 0.000 1.393 255 V CA 0.232 62.472 62.300 -0.100 0.000 1.125 255 V CB -0.189 31.621 31.823 -0.023 0.000 1.037 255 V HN 0.424 nan 8.190 nan 0.000 0.440 256 G N -0.436 108.339 108.800 -0.042 0.000 2.141 256 G HA2 -0.235 3.726 3.960 0.002 0.000 0.242 256 G HA3 -0.235 3.726 3.960 0.002 0.000 0.242 256 G C 0.121 175.016 174.900 -0.008 0.000 0.982 256 G CA -0.034 45.056 45.100 -0.016 0.000 0.662 256 G HN 0.688 nan 8.290 nan 0.000 0.527 257 c N 1.786 120.379 118.600 -0.011 0.000 2.365 257 c HA 0.774 5.346 4.570 0.002 0.000 0.351 257 c C -0.877 173.208 174.090 -0.008 0.000 1.240 257 c CA -0.968 55.358 56.329 -0.005 0.000 2.062 257 c CB 1.255 43.764 42.510 -0.002 0.000 2.387 257 c HN 0.504 nan 8.230 nan 0.000 0.537 266 D N 1.064 121.459 120.400 -0.009 0.000 2.133 266 D HA -0.130 4.512 4.640 0.002 0.000 0.195 266 D C 1.305 177.600 176.300 -0.008 0.000 0.997 266 D CA 1.907 55.898 54.000 -0.015 0.000 0.840 266 D CB 0.085 40.875 40.800 -0.015 0.000 0.947 266 D HN 0.609 nan 8.370 nan 0.000 0.452 267 T N 1.047 115.602 114.554 0.002 0.000 2.635 267 T HA -0.178 4.173 4.350 0.002 0.000 0.267 267 T C 1.829 176.536 174.700 0.013 0.000 1.040 267 T CA 1.428 63.534 62.100 0.011 0.000 1.156 267 T CB -0.303 68.572 68.868 0.012 0.000 0.863 267 T HN 0.304 nan 8.240 nan 0.000 0.430 268 E N 0.479 120.684 120.200 0.008 0.000 2.049 268 E HA -0.137 4.214 4.350 0.002 0.000 0.198 268 E C 2.242 178.847 176.600 0.008 0.000 1.007 268 E CA 1.100 57.505 56.400 0.009 0.000 0.809 268 E CB -0.327 29.376 29.700 0.005 0.000 0.749 268 E HN 0.353 nan 8.360 nan 0.000 0.450 269 L N 0.720 121.942 121.223 -0.002 0.000 2.017 269 L HA -0.204 4.137 4.340 0.002 0.000 0.208 269 L C 2.290 179.156 176.870 -0.007 0.000 1.073 269 L CA 1.281 56.114 54.840 -0.011 0.000 0.745 269 L CB -0.100 41.943 42.059 -0.027 0.000 0.894 269 L HN 0.128 nan 8.230 nan 0.000 0.432 270 I N -0.239 120.327 120.570 -0.007 0.000 2.315 270 I HA -0.237 3.934 4.170 0.002 0.000 0.248 270 I C 2.700 178.875 176.117 0.096 0.000 1.117 270 I CA 1.010 62.323 61.300 0.022 0.000 1.404 270 I CB -0.526 37.481 38.000 0.012 0.000 1.071 270 I HN 0.307 nan 8.210 nan 0.000 0.419 271 A N -0.301 122.557 122.820 0.063 0.000 1.940 271 A HA -0.296 4.025 4.320 0.002 0.000 0.219 271 A C 2.516 180.136 177.584 0.060 0.000 1.176 271 A CA 1.989 54.063 52.037 0.061 0.000 0.631 271 A CB -1.312 17.711 19.000 0.039 0.000 0.814 271 A HN 0.631 nan 8.150 nan 0.000 0.446 272 c N -0.746 117.883 118.600 0.049 0.000 2.457 272 c HA 0.096 4.667 4.570 0.002 0.000 0.278 272 c C 2.538 176.666 174.090 0.063 0.000 1.309 272 c CA 0.889 57.243 56.329 0.043 0.000 1.735 272 c CB -1.506 41.019 42.510 0.025 0.000 1.992 272 c HN 0.582 nan 8.230 nan 0.000 0.493 273 L N 0.469 121.746 121.223 0.090 0.000 2.127 273 L HA -0.127 4.214 4.340 0.002 0.000 0.211 273 L C 2.989 179.975 176.870 0.194 0.000 1.089 273 L CA 1.511 56.443 54.840 0.153 0.000 0.757 273 L CB -0.627 41.545 42.059 0.188 0.000 0.899 273 L HN 0.387 nan 8.230 nan 0.000 0.434 274 R N -0.581 120.024 120.500 0.174 0.000 2.148 274 R HA -0.118 4.223 4.340 0.002 0.000 0.227 274 R C 2.207 178.525 176.300 0.029 0.000 1.103 274 R CA 1.721 57.867 56.100 0.076 0.000 0.983 274 R CB -0.414 29.924 30.300 0.064 0.000 0.874 274 R HN 0.505 nan 8.270 nan 0.000 0.451 275 T N -1.308 113.269 114.554 0.040 0.000 3.085 275 T HA 0.049 4.400 4.350 0.002 0.000 0.263 275 T C 0.954 175.666 174.700 0.021 0.000 1.127 275 T CA 0.164 62.278 62.100 0.023 0.000 1.103 275 T CB 0.091 68.974 68.868 0.024 0.000 0.921 275 T HN -0.128 nan 8.240 nan 0.000 0.510 276 R N 2.737 123.258 120.500 0.034 0.000 2.340 276 R HA 0.378 4.719 4.340 0.002 0.000 0.300 276 R C -2.662 173.650 176.300 0.020 0.000 1.069 276 R CA -2.657 53.465 56.100 0.036 0.000 0.984 276 R CB 0.062 30.394 30.300 0.054 0.000 1.003 276 R HN 0.260 nan 8.270 nan 0.000 0.459 277 P HA -0.076 nan 4.420 nan 0.000 0.264 277 P C 0.408 177.692 177.300 -0.027 0.000 1.179 277 P CA 0.332 63.418 63.100 -0.023 0.000 0.763 277 P CB 0.560 32.257 31.700 -0.005 0.000 0.806 278 A N 3.155 125.891 122.820 -0.140 0.000 1.884 278 A HA -0.309 4.012 4.320 0.002 0.000 0.219 278 A C 2.148 179.715 177.584 -0.029 0.000 1.197 278 A CA 2.161 54.095 52.037 -0.172 0.000 0.637 278 A CB -1.337 17.066 19.000 -0.995 0.000 0.827 278 A HN 0.542 nan 8.150 nan 0.000 0.450 279 Q N -0.171 119.595 119.800 -0.057 0.000 2.226 279 Q HA -0.146 4.195 4.340 0.002 0.000 0.204 279 Q C 1.307 177.409 176.000 0.169 0.000 0.975 279 Q CA 1.922 57.844 55.803 0.198 0.000 0.866 279 Q CB -0.460 28.413 28.738 0.226 0.000 0.915 279 Q HN 0.675 nan 8.270 nan 0.000 0.440 280 D N -0.532 119.940 120.400 0.120 0.000 2.123 280 D HA -0.168 4.473 4.640 0.002 0.000 0.196 280 D C 1.674 178.076 176.300 0.171 0.000 0.992 280 D CA 1.288 55.375 54.000 0.145 0.000 0.833 280 D CB -0.143 40.725 40.800 0.113 0.000 0.954 280 D HN 0.297 nan 8.370 nan 0.000 0.455 281 L N -0.083 121.206 121.223 0.109 0.000 2.005 281 L HA -0.122 4.219 4.340 0.002 0.000 0.207 281 L C 2.496 179.399 176.870 0.056 0.000 1.072 281 L CA 0.621 55.480 54.840 0.033 0.000 0.744 281 L CB -0.621 41.351 42.059 -0.145 0.000 0.895 281 L HN -0.033 nan 8.230 nan 0.000 0.433 282 V N -0.032 119.968 119.914 0.144 0.000 2.332 282 V HA -0.312 3.809 4.120 0.002 0.000 0.248 282 V C 2.166 178.363 176.094 0.171 0.000 1.055 282 V CA 1.904 64.336 62.300 0.221 0.000 1.038 282 V CB -0.611 31.475 31.823 0.438 0.000 0.651 282 V HN 0.426 nan 8.190 nan 0.000 0.450 283 D N -0.765 119.711 120.400 0.126 0.000 2.149 283 D HA -0.184 4.457 4.640 0.002 0.000 0.194 283 D C 1.903 178.015 176.300 -0.314 0.000 1.001 283 D CA 1.562 55.536 54.000 -0.043 0.000 0.849 283 D CB -0.220 40.521 40.800 -0.098 0.000 0.939 283 D HN 0.562 nan 8.370 nan 0.000 0.449 284 H N -0.728 118.298 119.070 -0.074 0.000 2.652 284 H HA 0.139 4.696 4.556 0.002 0.000 0.274 284 H C 1.510 176.721 175.328 -0.194 0.000 1.021 284 H CA -0.059 55.853 56.048 -0.227 0.000 1.187 284 H CB 0.629 30.391 29.762 0.000 0.000 1.505 284 H HN 0.306 nan 8.280 nan 0.000 0.530 285 E N 0.734 120.904 120.200 -0.050 0.000 2.130 285 E HA -0.208 4.143 4.350 0.002 0.000 0.196 285 E C 0.821 177.292 176.600 -0.216 0.000 0.998 285 E CA 1.266 57.616 56.400 -0.083 0.000 0.806 285 E CB 0.052 29.615 29.700 -0.229 0.000 0.738 285 E HN 0.461 nan 8.360 nan 0.000 0.459 286 W N -0.833 120.379 121.300 -0.145 0.000 3.256 286 W HA 0.091 4.752 4.660 0.002 0.000 0.269 286 W C 1.229 177.801 176.519 0.088 0.000 1.310 286 W CA 0.141 57.430 57.345 -0.093 0.000 1.673 286 W CB 0.228 29.584 29.460 -0.173 0.000 1.115 286 W HN 0.203 nan 8.180 nan 0.000 0.686 287 H N -0.572 118.625 119.070 0.212 0.000 2.526 287 H HA 0.040 4.597 4.556 0.002 0.000 0.274 287 H C 1.755 177.143 175.328 0.100 0.000 0.999 287 H CA 0.432 56.579 56.048 0.166 0.000 1.157 287 H CB 0.304 30.189 29.762 0.206 0.000 1.407 287 H HN 0.111 nan 8.280 nan 0.000 0.568 288 V N -1.883 118.121 119.914 0.151 0.000 3.578 288 V HA 0.193 4.314 4.120 0.002 0.000 0.290 288 V C 0.539 176.620 176.094 -0.021 0.000 1.376 288 V CA -0.183 62.140 62.300 0.038 0.000 1.083 288 V CB -0.263 31.539 31.823 -0.035 0.000 0.911 288 V HN 0.119 nan 8.190 nan 0.000 0.433 289 L N 2.518 123.749 121.223 0.013 0.000 2.453 289 L HA 0.259 4.600 4.340 0.002 0.000 0.272 289 L C -0.336 176.539 176.870 0.009 0.000 1.182 289 L CA -0.992 53.847 54.840 -0.002 0.000 0.858 289 L CB 0.790 42.878 42.059 0.048 0.000 1.120 289 L HN 0.140 nan 8.230 nan 0.000 0.474 290 P HA -0.059 nan 4.420 nan 0.000 0.225 290 P C -0.111 177.192 177.300 0.005 0.000 1.156 290 P CA 0.916 64.013 63.100 -0.006 0.000 0.787 290 P CB 0.511 32.200 31.700 -0.018 0.000 0.802 291 Q N -0.976 118.831 119.800 0.011 0.000 2.456 291 Q HA 0.303 4.644 4.340 0.002 0.000 0.283 291 Q C -0.706 175.309 176.000 0.025 0.000 1.084 291 Q CA -0.702 55.110 55.803 0.014 0.000 0.801 291 Q CB 2.039 30.783 28.738 0.009 0.000 1.434 291 Q HN -0.056 nan 8.270 nan 0.000 0.419 292 E N 1.195 121.409 120.200 0.023 0.000 2.292 292 E HA 0.251 4.602 4.350 0.002 0.000 0.265 292 E C -1.097 175.518 176.600 0.024 0.000 1.093 292 E CA 0.078 56.494 56.400 0.027 0.000 0.922 292 E CB 0.235 29.947 29.700 0.021 0.000 1.001 292 E HN 0.562 nan 8.360 nan 0.000 0.444 293 S N 3.898 119.615 115.700 0.029 0.000 2.607 293 S HA 0.668 5.139 4.470 0.002 0.000 0.273 293 S C -0.394 174.221 174.600 0.025 0.000 1.148 293 S CA -1.059 57.154 58.200 0.022 0.000 0.833 293 S CB 0.938 64.145 63.200 0.012 0.000 1.130 293 S HN 0.539 nan 8.310 nan 0.000 0.470 294 I N -2.782 117.803 120.570 0.024 0.000 2.846 294 I HA 0.793 4.965 4.170 0.002 0.000 0.307 294 I C -0.312 175.807 176.117 0.004 0.000 1.053 294 I CA -1.207 60.119 61.300 0.043 0.000 1.050 294 I CB 1.128 39.193 38.000 0.108 0.000 1.239 294 I HN 0.744 nan 8.210 nan 0.000 0.439 295 F N 1.923 121.719 119.950 -0.258 0.000 3.067 295 F HA -0.187 4.341 4.527 0.002 0.000 0.279 295 F C -0.331 174.970 175.800 -0.833 0.000 0.945 295 F CA 0.670 58.272 58.000 -0.663 0.000 0.948 295 F CB -0.610 37.882 39.000 -0.848 0.000 0.898 295 F HN 0.592 nan 8.300 nan 0.000 0.746 296 R N 0.418 120.528 120.500 -0.650 0.000 2.673 296 R HA 0.643 4.984 4.340 0.002 0.000 0.281 296 R C -1.034 174.898 176.300 -0.612 0.000 0.991 296 R CA -0.581 55.161 56.100 -0.597 0.000 0.896 296 R CB 1.573 31.772 30.300 -0.168 0.000 1.201 296 R HN 0.001 nan 8.270 nan 0.000 0.457 297 F N -0.841 119.232 119.950 0.206 0.000 2.563 297 F HA 0.360 4.888 4.527 0.002 0.000 0.316 297 F C 1.407 177.153 175.800 -0.089 0.000 1.076 297 F CA -0.875 57.175 58.000 0.083 0.000 0.921 297 F CB 1.869 41.032 39.000 0.272 0.000 1.209 297 F HN 0.346 nan 8.300 nan 0.000 0.462 298 S N 0.551 116.164 115.700 -0.145 0.000 2.371 298 S HA 0.053 4.524 4.470 0.002 0.000 0.224 298 S C -0.118 174.096 174.600 -0.643 0.000 1.029 298 S CA 1.037 58.982 58.200 -0.424 0.000 0.978 298 S CB -0.191 62.690 63.200 -0.531 0.000 0.833 298 S HN 0.372 nan 8.310 nan 0.000 0.466 299 F N 1.498 121.450 119.950 0.002 0.000 2.500 299 F HA 0.550 5.078 4.527 0.002 0.000 0.349 299 F C -0.185 175.610 175.800 -0.008 0.000 1.127 299 F CA -0.978 57.045 58.000 0.039 0.000 0.998 299 F CB 1.524 40.576 39.000 0.086 0.000 1.237 299 F HN -0.131 nan 8.300 nan 0.000 0.439 300 V N 0.718 120.583 119.914 -0.081 0.000 3.160 300 V HA 0.760 4.881 4.120 0.002 0.000 0.310 300 V C -2.889 172.814 176.094 -0.652 0.000 1.181 300 V CA -3.324 58.602 62.300 -0.623 0.000 1.047 300 V CB 2.005 33.637 31.823 -0.318 0.000 1.068 300 V HN 0.266 nan 8.190 nan 0.000 0.441 301 P HA 0.111 nan 4.420 nan 0.000 0.264 301 P C -0.674 176.470 177.300 -0.261 0.000 1.179 301 P CA 0.497 63.296 63.100 -0.502 0.000 0.763 301 P CB 0.496 31.827 31.700 -0.616 0.000 0.806 302 V N 4.763 124.606 119.914 -0.119 0.000 2.555 302 V HA 0.233 4.354 4.120 0.002 0.000 0.302 302 V C -0.328 175.738 176.094 -0.048 0.000 1.038 302 V CA -0.904 61.353 62.300 -0.071 0.000 0.887 302 V CB 2.129 33.941 31.823 -0.018 0.000 0.991 302 V HN 0.139 nan 8.190 nan 0.000 0.434 303 V N 7.437 127.324 119.914 -0.044 0.000 2.359 303 V HA 0.151 4.272 4.120 0.002 0.000 0.248 303 V C 0.832 176.927 176.094 0.001 0.000 1.091 303 V CA 0.388 62.677 62.300 -0.018 0.000 1.103 303 V CB 0.097 31.903 31.823 -0.029 0.000 1.176 303 V HN 1.062 nan 8.190 nan 0.000 0.488 304 D N 2.663 123.079 120.400 0.026 0.000 2.350 304 D HA 0.106 4.747 4.640 0.002 0.000 0.213 304 D C 1.549 177.870 176.300 0.035 0.000 1.031 304 D CA 0.643 54.663 54.000 0.033 0.000 0.861 304 D CB 0.266 41.099 40.800 0.055 0.000 0.926 304 D HN 0.665 nan 8.370 nan 0.000 0.520 305 G N 0.729 109.550 108.800 0.035 0.000 2.179 305 G HA2 -0.323 3.638 3.960 0.002 0.000 0.257 305 G HA3 -0.323 3.638 3.960 0.002 0.000 0.257 305 G C 0.331 175.253 174.900 0.036 0.000 1.010 305 G CA 0.836 45.953 45.100 0.028 0.000 0.736 305 G HN 0.557 nan 8.290 nan 0.000 0.513 306 D N -1.924 118.514 120.400 0.063 0.000 2.957 306 D HA 0.188 4.829 4.640 0.002 0.000 0.175 306 D C 1.637 177.990 176.300 0.089 0.000 1.502 306 D CA 0.477 54.518 54.000 0.068 0.000 1.524 306 D CB -0.687 40.161 40.800 0.081 0.000 1.300 306 D HN 0.080 nan 8.370 nan 0.000 0.241 307 F N 1.435 121.391 119.950 0.010 0.000 2.069 307 F HA 0.173 4.701 4.527 0.002 0.000 0.298 307 F C 0.529 176.328 175.800 -0.002 0.000 1.113 307 F CA 1.298 59.304 58.000 0.009 0.000 1.214 307 F CB 0.078 39.082 39.000 0.006 0.000 0.978 307 F HN -0.015 nan 8.300 nan 0.000 0.474 308 L N 0.738 122.133 121.223 0.287 0.000 2.280 308 L HA 0.224 4.565 4.340 0.002 0.000 0.287 308 L C 1.242 178.155 176.870 0.071 0.000 1.023 308 L CA -0.150 54.780 54.840 0.150 0.000 0.819 308 L CB 1.400 43.534 42.059 0.126 0.000 1.212 308 L HN 0.073 nan 8.230 nan 0.000 0.420 309 S N 0.017 115.738 115.700 0.036 0.000 2.562 309 S HA 0.065 4.536 4.470 0.002 0.000 0.221 309 S C 0.341 174.948 174.600 0.012 0.000 0.975 309 S CA 0.175 58.386 58.200 0.017 0.000 0.918 309 S CB 0.062 63.263 63.200 0.001 0.000 0.772 309 S HN 0.755 nan 8.310 nan 0.000 0.531 310 D N 0.096 120.505 120.400 0.014 0.000 2.792 310 D HA 0.229 4.870 4.640 0.002 0.000 0.335 310 D C -0.998 175.303 176.300 0.001 0.000 1.353 310 D CA 0.072 54.074 54.000 0.005 0.000 0.839 310 D CB 1.145 41.946 40.800 0.002 0.000 1.396 310 D HN 0.212 nan 8.370 nan 0.000 0.479 311 T N -0.772 113.776 114.554 -0.010 0.000 2.926 311 T HA 0.300 4.651 4.350 0.002 0.000 0.307 311 T C -1.804 172.885 174.700 -0.018 0.000 1.059 311 T CA -0.730 61.355 62.100 -0.025 0.000 1.122 311 T CB 1.153 69.999 68.868 -0.036 0.000 0.972 311 T HN 0.080 nan 8.240 nan 0.000 0.545 312 P HA -0.119 nan 4.420 nan 0.000 0.217 312 P C 1.280 178.568 177.300 -0.019 0.000 1.151 312 P CA 1.125 64.207 63.100 -0.030 0.000 0.849 312 P CB 0.074 31.726 31.700 -0.081 0.000 0.787 313 E N -0.334 119.845 120.200 -0.036 0.000 2.038 313 E HA -0.162 4.189 4.350 0.002 0.000 0.195 313 E C 2.193 178.794 176.600 0.002 0.000 1.000 313 E CA 1.728 58.113 56.400 -0.024 0.000 0.803 313 E CB -1.287 28.391 29.700 -0.036 0.000 0.750 313 E HN 0.145 nan 8.360 nan 0.000 0.448 314 A N 0.523 123.344 122.820 0.001 0.000 1.902 314 A HA -0.146 4.175 4.320 0.002 0.000 0.217 314 A C 2.217 179.819 177.584 0.030 0.000 1.181 314 A CA 1.266 53.309 52.037 0.010 0.000 0.623 314 A CB -0.684 18.317 19.000 0.002 0.000 0.818 314 A HN 0.201 nan 8.150 nan 0.000 0.443 315 L N -0.159 121.090 121.223 0.043 0.000 2.156 315 L HA -0.112 4.229 4.340 0.002 0.000 0.208 315 L C 2.536 179.505 176.870 0.165 0.000 1.095 315 L CA 1.349 56.237 54.840 0.080 0.000 0.770 315 L CB -0.610 41.499 42.059 0.084 0.000 0.914 315 L HN 0.666 nan 8.230 nan 0.000 0.439 316 I N -3.082 117.579 120.570 0.151 0.000 2.500 316 I HA -0.103 4.068 4.170 0.002 0.000 0.252 316 I C 1.969 178.207 176.117 0.202 0.000 1.142 316 I CA 1.144 62.572 61.300 0.213 0.000 1.451 316 I CB -0.446 37.590 38.000 0.061 0.000 1.093 316 I HN 0.114 nan 8.210 nan 0.000 0.430 317 N N 1.395 120.160 118.700 0.108 0.000 2.244 317 N HA -0.118 4.623 4.740 0.002 0.000 0.183 317 N C 1.798 177.351 175.510 0.072 0.000 1.016 317 N CA 2.128 55.226 53.050 0.080 0.000 0.866 317 N CB -0.397 38.115 38.487 0.043 0.000 0.980 317 N HN 0.694 nan 8.380 nan 0.000 0.430 318 T N -4.019 110.570 114.554 0.058 0.000 3.010 318 T HA 0.331 4.682 4.350 0.002 0.000 0.257 318 T C 0.984 175.644 174.700 -0.066 0.000 1.020 318 T CA -0.303 61.799 62.100 0.002 0.000 0.938 318 T CB 0.072 68.935 68.868 -0.009 0.000 1.049 318 T HN 0.056 nan 8.240 nan 0.000 0.522 319 G N 0.645 109.383 108.800 -0.102 0.000 2.634 319 G HA2 0.428 4.389 3.960 0.002 0.000 0.255 319 G HA3 0.428 4.389 3.960 0.002 0.000 0.255 319 G C -1.176 173.350 174.900 -0.624 0.000 1.205 319 G CA -0.377 44.426 45.100 -0.495 0.000 0.884 319 G HN 0.271 nan 8.290 nan 0.000 0.549 320 D N -0.335 119.604 120.400 -0.769 0.000 2.440 320 D HA 0.384 5.025 4.640 0.002 0.000 0.239 320 D C -0.627 175.315 176.300 -0.596 0.000 1.084 320 D CA -0.652 53.053 54.000 -0.490 0.000 0.843 320 D CB 0.782 41.429 40.800 -0.256 0.000 1.097 320 D HN 0.087 nan 8.370 nan 0.000 0.531 321 F N 1.988 121.942 119.950 0.006 0.000 2.855 321 F HA 0.245 4.773 4.527 0.002 0.000 0.317 321 F C 2.007 177.813 175.800 0.011 0.000 1.169 321 F CA -0.353 57.654 58.000 0.011 0.000 1.299 321 F CB 0.339 39.355 39.000 0.026 0.000 0.962 321 F HN 0.367 nan 8.300 nan 0.000 0.506 322 Q N 0.257 120.112 119.800 0.091 0.000 2.167 322 Q HA -0.128 4.213 4.340 0.002 0.000 0.202 322 Q C 0.402 176.437 176.000 0.059 0.000 0.970 322 Q CA 1.307 57.149 55.803 0.066 0.000 0.855 322 Q CB 0.171 28.922 28.738 0.022 0.000 0.911 322 Q HN 0.181 nan 8.270 nan 0.000 0.438 323 D N 0.158 120.587 120.400 0.049 0.000 2.894 323 D HA 0.176 4.817 4.640 0.002 0.000 0.248 323 D C -1.189 175.143 176.300 0.054 0.000 1.291 323 D CA 0.026 54.048 54.000 0.037 0.000 0.840 323 D CB 0.291 41.097 40.800 0.010 0.000 1.044 323 D HN 0.086 nan 8.370 nan 0.000 0.484 324 L N 0.643 121.924 121.223 0.095 0.000 2.386 324 L HA 0.413 4.754 4.340 0.002 0.000 0.271 324 L C -1.067 175.880 176.870 0.128 0.000 0.993 324 L CA -0.510 54.401 54.840 0.118 0.000 0.819 324 L CB 2.078 44.245 42.059 0.180 0.000 1.294 324 L HN -0.240 nan 8.230 nan 0.000 0.414 325 Q N 3.115 123.003 119.800 0.146 0.000 2.316 325 Q HA 0.778 5.119 4.340 0.002 0.000 0.264 325 Q C -1.474 174.759 176.000 0.387 0.000 0.987 325 Q CA -0.461 55.480 55.803 0.230 0.000 0.852 325 Q CB 2.536 31.354 28.738 0.134 0.000 1.287 325 Q HN 0.484 nan 8.270 nan 0.000 0.448 326 V N 2.647 122.780 119.914 0.365 0.000 2.623 326 V HA 0.454 4.576 4.120 0.002 0.000 0.304 326 V C -1.329 174.753 176.094 -0.020 0.000 1.054 326 V CA -0.903 61.532 62.300 0.225 0.000 0.882 326 V CB 1.692 33.555 31.823 0.067 0.000 1.002 326 V HN 0.601 nan 8.190 nan 0.000 0.424 327 L N 5.543 126.513 121.223 -0.423 0.000 2.282 327 L HA 0.896 5.237 4.340 0.002 0.000 0.288 327 L C -0.630 176.114 176.870 -0.210 0.000 1.033 327 L CA 0.010 54.485 54.840 -0.608 0.000 0.807 327 L CB 1.544 42.745 42.059 -1.431 0.000 1.209 327 L HN 0.566 nan 8.230 nan 0.000 0.423 328 V N 4.813 124.693 119.914 -0.057 0.000 2.971 328 V HA 1.035 5.156 4.120 0.002 0.000 0.309 328 V C -0.276 175.648 176.094 -0.284 0.000 1.130 328 V CA 0.434 62.690 62.300 -0.074 0.000 0.964 328 V CB 1.925 33.670 31.823 -0.131 0.000 1.029 328 V HN 1.063 nan 8.190 nan 0.000 0.427 329 G N 2.944 111.419 108.800 -0.543 0.000 2.441 329 G HA2 0.663 4.624 3.960 0.002 0.000 0.294 329 G HA3 0.663 4.624 3.960 0.002 0.000 0.294 329 G C -1.425 173.147 174.900 -0.546 0.000 1.393 329 G CA 0.175 44.563 45.100 -1.186 0.000 0.796 329 G HN 1.686 nan 8.290 nan 0.000 0.494 330 V N -2.170 117.539 119.914 -0.342 0.000 3.102 330 V HA 0.928 5.049 4.120 0.002 0.000 0.312 330 V C 0.410 176.666 176.094 0.271 0.000 1.135 330 V CA -0.422 61.901 62.300 0.038 0.000 1.022 330 V CB 1.134 32.972 31.823 0.024 0.000 1.056 330 V HN 1.806 nan 8.190 nan 0.000 0.436 331 V N -0.139 119.967 119.914 0.320 0.000 3.234 331 V HA 0.569 4.690 4.120 0.002 0.000 0.317 331 V C 1.382 177.666 176.094 0.317 0.000 1.081 331 V CA 0.014 62.562 62.300 0.413 0.000 1.037 331 V CB 1.236 33.300 31.823 0.402 0.000 1.148 331 V HN 1.085 nan 8.190 nan 0.000 0.453 332 K N -0.477 120.112 120.400 0.314 0.000 2.211 332 K HA -0.020 4.301 4.320 0.002 0.000 0.203 332 K C 0.229 176.951 176.600 0.204 0.000 1.050 332 K CA 1.635 58.060 56.287 0.230 0.000 0.945 332 K CB 0.110 32.726 32.500 0.193 0.000 0.732 332 K HN 0.897 nan 8.250 nan 0.000 0.451 333 D N 1.076 121.608 120.400 0.219 0.000 2.613 333 D HA 0.029 4.670 4.640 0.002 0.000 0.312 333 D C -0.038 176.400 176.300 0.229 0.000 1.202 333 D CA -0.091 54.029 54.000 0.200 0.000 0.825 333 D CB 1.342 42.242 40.800 0.166 0.000 1.113 333 D HN 0.116 nan 8.370 nan 0.000 0.502 334 E N 0.410 120.750 120.200 0.233 0.000 2.160 334 E HA -0.109 4.242 4.350 0.002 0.000 0.195 334 E C 1.846 178.621 176.600 0.291 0.000 0.991 334 E CA 0.696 57.260 56.400 0.273 0.000 0.810 334 E CB 0.251 30.070 29.700 0.199 0.000 0.742 334 E HN 0.439 nan 8.360 nan 0.000 0.466 335 G N 0.596 109.539 108.800 0.238 0.000 2.887 335 G HA2 -0.102 3.859 3.960 0.002 0.000 0.211 335 G HA3 -0.102 3.859 3.960 0.002 0.000 0.211 335 G C 1.648 176.738 174.900 0.316 0.000 1.152 335 G CA 0.620 45.880 45.100 0.267 0.000 0.769 335 G HN 0.325 nan 8.290 nan 0.000 0.541 336 S N 0.175 116.021 115.700 0.243 0.000 2.356 336 S HA -0.240 4.231 4.470 0.002 0.000 0.223 336 S C 2.073 176.710 174.600 0.063 0.000 1.032 336 S CA 1.252 59.553 58.200 0.168 0.000 1.005 336 S CB -0.826 62.386 63.200 0.021 0.000 0.867 336 S HN 0.373 nan 8.310 nan 0.000 0.449 337 Y N 1.645 121.855 120.300 -0.151 0.000 2.132 337 Y HA -0.241 4.310 4.550 0.002 0.000 0.280 337 Y C 1.801 177.558 175.900 -0.238 0.000 1.193 337 Y CA 2.154 60.015 58.100 -0.399 0.000 1.157 337 Y CB -0.507 37.630 38.460 -0.538 0.000 0.966 337 Y HN 0.309 nan 8.280 nan 0.000 0.511 338 F N -1.213 118.836 119.950 0.166 0.000 2.615 338 F HA -0.051 4.477 4.527 0.002 0.000 0.297 338 F C 1.900 177.772 175.800 0.120 0.000 1.124 338 F CA 0.462 58.545 58.000 0.139 0.000 1.451 338 F CB -0.322 38.677 39.000 -0.002 0.000 1.103 338 F HN 0.001 nan 8.300 nan 0.000 0.569 339 L N -0.057 121.280 121.223 0.191 0.000 2.141 339 L HA -0.141 4.201 4.340 0.002 0.000 0.209 339 L C 2.399 179.319 176.870 0.083 0.000 1.094 339 L CA 1.078 55.895 54.840 -0.039 0.000 0.763 339 L CB -0.800 41.001 42.059 -0.431 0.000 0.908 339 L HN 0.159 nan 8.230 nan 0.000 0.437 340 V N -4.907 115.116 119.914 0.181 0.000 3.380 340 V HA -0.181 3.940 4.120 0.002 0.000 0.268 340 V C 1.437 177.515 176.094 -0.026 0.000 1.168 340 V CA 0.907 63.301 62.300 0.157 0.000 1.156 340 V CB -1.142 30.790 31.823 0.182 0.000 0.785 340 V HN 0.309 nan 8.190 nan 0.000 0.487 341 Y N 1.465 121.788 120.300 0.038 0.000 2.493 341 Y HA 0.631 5.182 4.550 0.002 0.000 0.275 341 Y C 1.828 177.716 175.900 -0.020 0.000 1.183 341 Y CA 0.461 58.552 58.100 -0.015 0.000 1.258 341 Y CB 0.812 39.258 38.460 -0.024 0.000 1.108 341 Y HN 0.414 nan 8.280 nan 0.000 0.521 342 G N -1.529 107.344 108.800 0.121 0.000 4.142 342 G HA2 -0.047 3.914 3.960 0.002 0.000 0.200 342 G HA3 -0.047 3.914 3.960 0.002 0.000 0.200 342 G C -0.690 174.261 174.900 0.086 0.000 0.811 342 G CA -0.391 44.758 45.100 0.082 0.000 0.855 342 G HN -0.083 nan 8.290 nan 0.000 0.455 343 V N 3.442 123.422 119.914 0.109 0.000 2.427 343 V HA 0.362 4.483 4.120 0.002 0.000 0.268 343 V C -1.926 174.321 176.094 0.254 0.000 1.046 343 V CA -1.356 61.032 62.300 0.148 0.000 0.970 343 V CB 1.000 32.864 31.823 0.069 0.000 1.001 343 V HN 0.075 nan 8.190 nan 0.000 0.476 344 P HA 0.274 nan 4.420 nan 0.000 0.265 344 P C 0.993 178.389 177.300 0.160 0.000 1.193 344 P CA 1.128 64.312 63.100 0.140 0.000 0.765 344 P CB 0.712 32.460 31.700 0.081 0.000 0.823 345 G N 1.022 109.856 108.800 0.058 0.000 2.213 345 G HA2 -0.206 3.755 3.960 0.002 0.000 0.226 345 G HA3 -0.206 3.755 3.960 0.002 0.000 0.226 345 G C -0.229 174.495 174.900 -0.293 0.000 0.992 345 G CA -0.597 44.423 45.100 -0.133 0.000 0.632 345 G HN 0.403 nan 8.290 nan 0.000 0.511 346 F N 1.412 121.358 119.950 -0.006 0.000 2.458 346 F HA 0.800 5.328 4.527 0.002 0.000 0.336 346 F C 0.504 176.367 175.800 0.105 0.000 1.114 346 F CA -0.127 57.884 58.000 0.017 0.000 0.987 346 F CB 2.367 41.417 39.000 0.083 0.000 1.130 346 F HN 0.187 nan 8.300 nan 0.000 0.458 347 S N 1.667 117.568 115.700 0.334 0.000 2.565 347 S HA 0.303 4.774 4.470 0.002 0.000 0.269 347 S C 0.190 175.046 174.600 0.426 0.000 1.153 347 S CA -0.815 57.578 58.200 0.321 0.000 0.835 347 S CB 1.446 64.747 63.200 0.169 0.000 1.122 347 S HN 0.748 nan 8.310 nan 0.000 0.462 348 K N 0.941 121.508 120.400 0.279 0.000 2.305 348 K HA 0.170 4.491 4.320 0.002 0.000 0.199 348 K C 0.169 176.779 176.600 0.016 0.000 1.047 348 K CA 1.069 57.432 56.287 0.128 0.000 0.976 348 K CB -0.125 32.221 32.500 -0.258 0.000 0.765 348 K HN 0.424 nan 8.250 nan 0.000 0.474 349 D N 1.085 121.472 120.400 -0.023 0.000 2.349 349 D HA -0.001 4.641 4.640 0.002 0.000 0.224 349 D C -0.337 175.972 176.300 0.016 0.000 1.029 349 D CA 0.372 54.339 54.000 -0.055 0.000 0.879 349 D CB -0.054 40.700 40.800 -0.078 0.000 0.906 349 D HN 0.526 nan 8.370 nan 0.000 0.528 350 N N -1.494 117.256 118.700 0.083 0.000 3.039 350 N HA 0.060 4.801 4.740 0.002 0.000 0.257 350 N C 0.346 175.903 175.510 0.079 0.000 1.497 350 N CA -0.568 52.513 53.050 0.052 0.000 0.861 350 N CB 0.886 39.365 38.487 -0.015 0.000 1.479 350 N HN -0.418 nan 8.380 nan 0.000 0.547 351 E N -0.309 119.873 120.200 -0.030 0.000 2.409 351 E HA -0.032 4.319 4.350 0.002 0.000 0.198 351 E C -0.412 175.885 176.600 -0.505 0.000 1.024 351 E CA 0.674 56.999 56.400 -0.125 0.000 0.861 351 E CB -0.461 29.185 29.700 -0.090 0.000 0.788 351 E HN 0.590 nan 8.360 nan 0.000 0.521 352 S N 0.159 115.561 115.700 -0.496 0.000 3.628 352 S HA -0.183 4.288 4.470 0.002 0.000 0.373 352 S C 0.079 174.238 174.600 -0.735 0.000 0.968 352 S CA 0.166 57.917 58.200 -0.748 0.000 1.215 352 S CB -1.563 60.949 63.200 -1.146 0.000 0.912 352 S HN 0.244 nan 8.310 nan 0.000 0.495 353 L N 2.118 123.069 121.223 -0.453 0.000 2.283 353 L HA 0.531 4.872 4.340 0.002 0.000 0.287 353 L C 0.761 177.441 176.870 -0.317 0.000 1.073 353 L CA -0.404 54.235 54.840 -0.335 0.000 0.822 353 L CB 0.319 42.254 42.059 -0.207 0.000 1.186 353 L HN 0.447 nan 8.230 nan 0.000 0.436 354 I N 0.031 120.409 120.570 -0.320 0.000 2.924 354 I HA 0.681 4.852 4.170 0.002 0.000 0.316 354 I C 0.588 176.638 176.117 -0.112 0.000 1.014 354 I CA -0.595 60.559 61.300 -0.242 0.000 1.106 354 I CB 1.833 39.672 38.000 -0.268 0.000 1.311 354 I HN 0.559 nan 8.210 nan 0.000 0.502 355 S N 1.817 117.484 115.700 -0.055 0.000 2.707 355 S HA 0.450 4.921 4.470 0.002 0.000 0.276 355 S C 0.876 175.507 174.600 0.052 0.000 1.179 355 S CA -0.679 57.513 58.200 -0.013 0.000 0.992 355 S CB 1.686 64.882 63.200 -0.006 0.000 1.030 355 S HN 0.773 nan 8.310 nan 0.000 0.554 356 R N 0.028 120.562 120.500 0.056 0.000 2.073 356 R HA -0.066 4.275 4.340 0.002 0.000 0.234 356 R C 2.623 179.015 176.300 0.152 0.000 1.134 356 R CA 1.400 57.576 56.100 0.127 0.000 0.952 356 R CB -1.141 29.207 30.300 0.081 0.000 0.850 356 R HN 0.842 nan 8.270 nan 0.000 0.433 357 A N 0.990 123.862 122.820 0.086 0.000 1.884 357 A HA -0.293 4.028 4.320 0.002 0.000 0.219 357 A C 2.032 179.660 177.584 0.074 0.000 1.197 357 A CA 1.714 53.790 52.037 0.065 0.000 0.637 357 A CB -0.631 18.393 19.000 0.040 0.000 0.827 357 A HN 0.414 nan 8.150 nan 0.000 0.450 358 Q N -2.118 117.733 119.800 0.085 0.000 2.170 358 Q HA -0.120 4.221 4.340 0.002 0.000 0.203 358 Q C 1.871 177.978 176.000 0.178 0.000 0.976 358 Q CA 1.519 57.384 55.803 0.102 0.000 0.858 358 Q CB -0.251 28.524 28.738 0.062 0.000 0.907 358 Q HN 0.824 nan 8.270 nan 0.000 0.433 359 F N 0.757 120.742 119.950 0.059 0.000 2.113 359 F HA -0.160 4.368 4.527 0.002 0.000 0.297 359 F C 1.627 177.468 175.800 0.068 0.000 1.103 359 F CA 0.941 58.989 58.000 0.080 0.000 1.248 359 F CB 0.079 39.111 39.000 0.054 0.000 0.999 359 F HN -0.049 nan 8.300 nan 0.000 0.475 360 L N 0.437 121.566 121.223 -0.158 0.000 2.046 360 L HA -0.191 4.151 4.340 0.002 0.000 0.208 360 L C 2.839 179.611 176.870 -0.163 0.000 1.077 360 L CA 1.247 55.945 54.840 -0.236 0.000 0.747 360 L CB -1.546 40.478 42.059 -0.057 0.000 0.896 360 L HN 0.255 nan 8.230 nan 0.000 0.432 361 A N 0.545 123.329 122.820 -0.061 0.000 1.968 361 A HA -0.020 4.301 4.320 0.002 0.000 0.217 361 A C 2.417 179.989 177.584 -0.021 0.000 1.169 361 A CA 1.408 53.431 52.037 -0.024 0.000 0.638 361 A CB -1.051 17.958 19.000 0.015 0.000 0.812 361 A HN 0.433 nan 8.150 nan 0.000 0.446 362 G N -0.587 108.207 108.800 -0.009 0.000 2.422 362 G HA2 -0.052 3.910 3.960 0.002 0.000 0.218 362 G HA3 -0.052 3.910 3.960 0.002 0.000 0.218 362 G C 1.446 176.306 174.900 -0.065 0.000 1.140 362 G CA 1.099 46.206 45.100 0.011 0.000 0.775 362 G HN 0.284 nan 8.290 nan 0.000 0.545 363 V N 1.055 120.858 119.914 -0.184 0.000 2.343 363 V HA -0.143 3.979 4.120 0.002 0.000 0.247 363 V C 2.959 179.001 176.094 -0.087 0.000 1.051 363 V CA 1.608 63.797 62.300 -0.184 0.000 1.036 363 V CB -0.361 31.265 31.823 -0.329 0.000 0.654 363 V HN 0.231 nan 8.190 nan 0.000 0.451 364 R N -0.215 120.241 120.500 -0.072 0.000 2.120 364 R HA 0.022 4.363 4.340 0.002 0.000 0.234 364 R C 2.014 178.304 176.300 -0.017 0.000 1.123 364 R CA 1.331 57.410 56.100 -0.035 0.000 0.975 364 R CB -0.740 29.544 30.300 -0.026 0.000 0.866 364 R HN 0.486 nan 8.270 nan 0.000 0.446 365 I N -0.598 119.965 120.570 -0.013 0.000 2.480 365 I HA -0.039 4.132 4.170 0.002 0.000 0.251 365 I C 2.288 178.408 176.117 0.005 0.000 1.124 365 I CA 1.167 62.469 61.300 0.004 0.000 1.444 365 I CB -0.440 37.570 38.000 0.016 0.000 1.098 365 I HN 0.167 nan 8.210 nan 0.000 0.428 366 G N 0.452 109.248 108.800 -0.006 0.000 2.448 366 G HA2 -0.045 3.916 3.960 0.002 0.000 0.218 366 G HA3 -0.045 3.916 3.960 0.002 0.000 0.218 366 G C 0.834 175.740 174.900 0.009 0.000 1.135 366 G CA 0.398 45.497 45.100 -0.001 0.000 0.784 366 G HN 0.224 nan 8.290 nan 0.000 0.543 367 V N 2.272 122.178 119.914 -0.014 0.000 2.271 367 V HA 0.217 4.338 4.120 0.002 0.000 0.259 367 V C -1.441 174.649 176.094 -0.007 0.000 1.030 367 V CA -1.109 61.163 62.300 -0.046 0.000 0.957 367 V CB 1.600 33.380 31.823 -0.072 0.000 1.186 367 V HN 0.079 nan 8.190 nan 0.000 0.471 368 P HA -0.175 nan 4.420 nan 0.000 0.222 368 P C 1.292 178.598 177.300 0.010 0.000 1.147 368 P CA 1.065 64.172 63.100 0.013 0.000 0.790 368 P CB 0.389 32.099 31.700 0.017 0.000 0.780 369 Q N -0.199 119.613 119.800 0.020 0.000 2.425 369 Q HA 0.138 4.479 4.340 0.002 0.000 0.204 369 Q C 0.629 176.629 176.000 -0.000 0.000 0.933 369 Q CA 0.118 55.929 55.803 0.013 0.000 0.939 369 Q CB -0.589 28.166 28.738 0.028 0.000 1.044 369 Q HN 0.030 nan 8.270 nan 0.000 0.513 370 A N 2.232 125.048 122.820 -0.005 0.000 2.450 370 A HA 0.370 4.691 4.320 0.002 0.000 0.255 370 A C 0.495 178.071 177.584 -0.013 0.000 1.096 370 A CA 0.142 52.171 52.037 -0.014 0.000 0.778 370 A CB 0.261 19.254 19.000 -0.012 0.000 1.031 370 A HN 0.523 nan 8.150 nan 0.000 0.494 371 S N 1.929 117.619 115.700 -0.017 0.000 2.624 371 S HA 0.169 4.640 4.470 0.002 0.000 0.263 371 S C 0.467 175.065 174.600 -0.004 0.000 1.287 371 S CA 0.147 58.339 58.200 -0.013 0.000 0.990 371 S CB 0.466 63.655 63.200 -0.019 0.000 0.950 371 S HN 0.620 nan 8.310 nan 0.000 0.561 372 D N 0.412 120.812 120.400 0.001 0.000 2.126 372 D HA -0.132 4.509 4.640 0.002 0.000 0.190 372 D C 1.756 178.068 176.300 0.021 0.000 1.001 372 D CA 1.437 55.442 54.000 0.009 0.000 0.841 372 D CB -0.570 40.236 40.800 0.010 0.000 0.949 372 D HN 0.436 nan 8.370 nan 0.000 0.446 373 L N 0.618 121.854 121.223 0.021 0.000 2.012 373 L HA -0.107 4.234 4.340 0.002 0.000 0.210 373 L C 2.103 179.007 176.870 0.057 0.000 1.073 373 L CA 2.015 56.879 54.840 0.040 0.000 0.748 373 L CB -0.820 41.257 42.059 0.030 0.000 0.891 373 L HN 0.024 nan 8.230 nan 0.000 0.431 374 A N -0.743 122.094 122.820 0.028 0.000 1.933 374 A HA -0.079 4.243 4.320 0.002 0.000 0.218 374 A C 2.422 180.042 177.584 0.060 0.000 1.175 374 A CA 1.705 53.759 52.037 0.028 0.000 0.628 374 A CB -1.076 17.901 19.000 -0.037 0.000 0.814 374 A HN 0.577 nan 8.150 nan 0.000 0.444 375 A N -0.460 122.382 122.820 0.036 0.000 1.898 375 A HA -0.108 4.213 4.320 0.002 0.000 0.216 375 A C 1.971 179.585 177.584 0.050 0.000 1.181 375 A CA 1.989 54.041 52.037 0.027 0.000 0.620 375 A CB -0.423 18.575 19.000 -0.003 0.000 0.819 375 A HN 0.487 nan 8.150 nan 0.000 0.442 376 E N 0.045 120.286 120.200 0.068 0.000 2.150 376 E HA 0.015 4.366 4.350 0.002 0.000 0.193 376 E C 2.009 178.696 176.600 0.146 0.000 0.985 376 E CA 1.187 57.646 56.400 0.099 0.000 0.814 376 E CB -0.383 29.371 29.700 0.091 0.000 0.752 376 E HN 0.484 nan 8.360 nan 0.000 0.466 377 A N -0.057 122.863 122.820 0.168 0.000 1.908 377 A HA -0.173 4.148 4.320 0.002 0.000 0.218 377 A C 2.443 180.139 177.584 0.186 0.000 1.181 377 A CA 1.678 53.855 52.037 0.233 0.000 0.627 377 A CB -0.826 18.402 19.000 0.379 0.000 0.818 377 A HN 0.192 nan 8.150 nan 0.000 0.445 378 V N -0.482 119.558 119.914 0.209 0.000 2.295 378 V HA -0.248 3.873 4.120 0.002 0.000 0.246 378 V C 2.589 178.835 176.094 0.254 0.000 1.049 378 V CA 2.069 64.467 62.300 0.163 0.000 1.024 378 V CB -0.823 31.081 31.823 0.135 0.000 0.648 378 V HN 0.378 nan 8.190 nan 0.000 0.447 379 V N -0.215 119.816 119.914 0.197 0.000 2.261 379 V HA -0.266 3.855 4.120 0.002 0.000 0.246 379 V C 2.318 178.641 176.094 0.382 0.000 1.047 379 V CA 2.086 64.561 62.300 0.293 0.000 1.015 379 V CB -0.536 31.380 31.823 0.154 0.000 0.642 379 V HN 0.445 nan 8.190 nan 0.000 0.446 380 L N -0.629 120.798 121.223 0.340 0.000 2.083 380 L HA -0.230 4.112 4.340 0.002 0.000 0.209 380 L C 2.518 179.616 176.870 0.380 0.000 1.083 380 L CA 2.112 57.233 54.840 0.469 0.000 0.752 380 L CB -0.791 41.465 42.059 0.328 0.000 0.899 380 L HN 0.484 nan 8.230 nan 0.000 0.433 381 H N -1.109 117.997 119.070 0.060 0.000 2.428 381 H HA -0.144 4.413 4.556 0.002 0.000 0.296 381 H C 1.565 176.803 175.328 -0.151 0.000 1.062 381 H CA 1.570 57.507 56.048 -0.184 0.000 1.350 381 H CB 0.179 29.503 29.762 -0.730 0.000 1.403 381 H HN 0.238 nan 8.280 nan 0.000 0.533 382 Y N -0.256 120.104 120.300 0.099 0.000 2.457 382 Y HA 0.176 4.727 4.550 0.002 0.000 0.263 382 Y C 0.631 176.486 175.900 -0.076 0.000 1.164 382 Y CA 0.049 58.203 58.100 0.089 0.000 1.274 382 Y CB 0.426 39.057 38.460 0.285 0.000 1.097 382 Y HN 0.016 nan 8.280 nan 0.000 0.523 383 T N 1.283 115.804 114.554 -0.055 0.000 2.919 383 T HA -0.049 4.302 4.350 0.002 0.000 0.302 383 T C -0.173 174.198 174.700 -0.548 0.000 1.031 383 T CA -0.269 61.541 62.100 -0.482 0.000 1.127 383 T CB 0.451 68.726 68.868 -0.989 0.000 0.952 383 T HN 0.086 nan 8.240 nan 0.000 0.540 384 D N 1.804 121.927 120.400 -0.462 0.000 2.411 384 D HA 0.084 4.725 4.640 0.002 0.000 0.225 384 D C 0.032 176.090 176.300 -0.402 0.000 1.156 384 D CA -0.400 53.427 54.000 -0.290 0.000 0.874 384 D CB 0.516 41.255 40.800 -0.102 0.000 1.034 384 D HN 0.635 nan 8.370 nan 0.000 0.502 385 W N 3.092 124.342 121.300 -0.084 0.000 2.825 385 W HA 0.037 4.698 4.660 0.002 0.000 0.243 385 W C 2.051 178.480 176.519 -0.150 0.000 1.293 385 W CA -0.259 57.029 57.345 -0.096 0.000 1.403 385 W CB 0.112 29.524 29.460 -0.080 0.000 1.134 385 W HN 0.439 nan 8.180 nan 0.000 0.666 386 L N -1.241 119.924 121.223 -0.096 0.000 2.270 386 L HA -0.038 4.303 4.340 0.002 0.000 0.210 386 L C 0.202 176.680 176.870 -0.652 0.000 1.104 386 L CA 1.047 55.675 54.840 -0.353 0.000 0.804 386 L CB -0.121 41.679 42.059 -0.433 0.000 0.937 386 L HN 0.007 nan 8.230 nan 0.000 0.450 387 H N -1.745 117.200 119.070 -0.207 0.000 2.511 387 H HA 0.152 4.709 4.556 0.002 0.000 0.228 387 H C -1.824 173.305 175.328 -0.332 0.000 1.424 387 H CA -1.239 54.631 56.048 -0.297 0.000 1.321 387 H CB 0.294 29.743 29.762 -0.521 0.000 1.720 387 H HN -0.032 nan 8.280 nan 0.000 0.512 388 P HA -0.149 nan 4.420 nan 0.000 0.222 388 P C 0.393 177.558 177.300 -0.226 0.000 1.147 388 P CA 1.224 64.135 63.100 -0.315 0.000 0.790 388 P CB 0.593 32.155 31.700 -0.230 0.000 0.780 389 E N -0.652 119.467 120.200 -0.135 0.000 2.660 389 E HA 0.080 4.431 4.350 0.002 0.000 0.216 389 E C -0.243 176.305 176.600 -0.086 0.000 0.986 389 E CA -0.279 56.065 56.400 -0.093 0.000 1.037 389 E CB 0.087 29.758 29.700 -0.049 0.000 1.041 389 E HN 0.187 nan 8.360 nan 0.000 0.480 390 D N 2.333 122.668 120.400 -0.108 0.000 2.371 390 D HA 0.027 4.668 4.640 0.002 0.000 0.256 390 D C -1.632 174.632 176.300 -0.059 0.000 1.193 390 D CA -1.857 52.090 54.000 -0.088 0.000 0.881 390 D CB 1.322 42.028 40.800 -0.156 0.000 1.143 390 D HN -0.185 nan 8.370 nan 0.000 0.473 391 P HA -0.087 nan 4.420 nan 0.000 0.220 391 P C 0.983 178.238 177.300 -0.075 0.000 1.148 391 P CA 0.889 63.941 63.100 -0.080 0.000 0.803 391 P CB 0.247 31.890 31.700 -0.095 0.000 0.782 392 T N -1.673 112.867 114.554 -0.023 0.000 2.770 392 T HA -0.136 4.216 4.350 0.002 0.000 0.263 392 T C 1.471 176.164 174.700 -0.011 0.000 1.039 392 T CA 1.484 63.570 62.100 -0.025 0.000 1.142 392 T CB -0.977 67.880 68.868 -0.018 0.000 0.868 392 T HN 0.233 nan 8.240 nan 0.000 0.435 393 H N 1.040 120.048 119.070 -0.103 0.000 2.353 393 H HA 0.128 4.685 4.556 0.002 0.000 0.300 393 H C 2.179 177.415 175.328 -0.155 0.000 1.090 393 H CA 0.939 56.924 56.048 -0.105 0.000 1.327 393 H CB -0.661 29.028 29.762 -0.121 0.000 1.383 393 H HN 0.187 nan 8.280 nan 0.000 0.508 394 L N 0.057 121.230 121.223 -0.082 0.000 2.042 394 L HA -0.204 4.137 4.340 0.002 0.000 0.210 394 L C 2.790 179.610 176.870 -0.083 0.000 1.076 394 L CA 1.344 56.029 54.840 -0.258 0.000 0.749 394 L CB -0.327 41.605 42.059 -0.212 0.000 0.893 394 L HN 0.252 nan 8.230 nan 0.000 0.432 395 R N 0.452 120.945 120.500 -0.011 0.000 2.062 395 R HA -0.166 4.175 4.340 0.002 0.000 0.231 395 R C 1.734 178.155 176.300 0.201 0.000 1.136 395 R CA 1.989 58.156 56.100 0.111 0.000 0.948 395 R CB -0.421 29.806 30.300 -0.122 0.000 0.845 395 R HN 0.326 nan 8.270 nan 0.000 0.430 396 D N 0.584 121.055 120.400 0.118 0.000 2.182 396 D HA -0.134 4.507 4.640 0.002 0.000 0.201 396 D C 1.681 178.079 176.300 0.162 0.000 0.986 396 D CA 1.474 55.565 54.000 0.153 0.000 0.847 396 D CB -0.148 40.694 40.800 0.070 0.000 0.942 396 D HN 0.399 nan 8.370 nan 0.000 0.467 397 A N 0.546 123.431 122.820 0.108 0.000 1.929 397 A HA -0.110 4.211 4.320 0.002 0.000 0.216 397 A C 2.132 179.835 177.584 0.199 0.000 1.176 397 A CA 1.258 53.383 52.037 0.147 0.000 0.628 397 A CB -0.408 18.574 19.000 -0.029 0.000 0.816 397 A HN 0.130 nan 8.150 nan 0.000 0.444 398 M N 0.081 119.841 119.600 0.266 0.000 2.108 398 M HA -0.110 4.371 4.480 0.002 0.000 0.261 398 M C 2.294 178.670 176.300 0.126 0.000 1.066 398 M CA 2.191 57.675 55.300 0.307 0.000 1.107 398 M CB -0.584 32.254 32.600 0.397 0.000 1.356 398 M HN 0.399 nan 8.290 nan 0.000 0.406 399 S N -0.316 115.478 115.700 0.157 0.000 2.370 399 S HA -0.125 4.346 4.470 0.002 0.000 0.226 399 S C 2.049 176.736 174.600 0.144 0.000 1.033 399 S CA 1.650 59.949 58.200 0.165 0.000 1.011 399 S CB -0.632 62.734 63.200 0.277 0.000 0.852 399 S HN 0.640 nan 8.310 nan 0.000 0.457 400 A N 0.822 123.742 122.820 0.167 0.000 1.902 400 A HA 0.010 4.331 4.320 0.002 0.000 0.217 400 A C 2.375 180.010 177.584 0.084 0.000 1.181 400 A CA 1.731 53.889 52.037 0.202 0.000 0.623 400 A CB -1.149 18.069 19.000 0.363 0.000 0.818 400 A HN 0.456 nan 8.150 nan 0.000 0.443 401 V N -0.355 119.473 119.914 -0.143 0.000 2.282 401 V HA -0.276 3.845 4.120 0.002 0.000 0.249 401 V C 2.595 178.618 176.094 -0.119 0.000 1.057 401 V CA 2.256 64.403 62.300 -0.254 0.000 1.032 401 V CB -0.759 30.939 31.823 -0.207 0.000 0.645 401 V HN 0.392 nan 8.190 nan 0.000 0.447 402 V N 0.487 120.357 119.914 -0.073 0.000 2.307 402 V HA -0.134 3.987 4.120 0.002 0.000 0.245 402 V C 2.627 178.606 176.094 -0.191 0.000 1.045 402 V CA 2.116 64.351 62.300 -0.109 0.000 1.024 402 V CB -1.365 30.443 31.823 -0.024 0.000 0.651 402 V HN 0.612 nan 8.190 nan 0.000 0.449 403 G N -0.306 108.451 108.800 -0.071 0.000 2.440 403 G HA2 -0.254 3.707 3.960 0.002 0.000 0.218 403 G HA3 -0.254 3.707 3.960 0.002 0.000 0.218 403 G C 1.235 176.051 174.900 -0.139 0.000 1.154 403 G CA 1.128 46.191 45.100 -0.061 0.000 0.767 403 G HN 0.504 nan 8.290 nan 0.000 0.552 404 D N -0.407 119.923 120.400 -0.117 0.000 2.103 404 D HA -0.059 4.582 4.640 0.002 0.000 0.199 404 D C 2.109 178.100 176.300 -0.516 0.000 0.978 404 D CA 1.163 55.067 54.000 -0.160 0.000 0.829 404 D CB -0.474 40.397 40.800 0.118 0.000 0.981 404 D HN 0.408 nan 8.370 nan 0.000 0.464 405 H N 0.709 119.198 119.070 -0.968 0.000 2.389 405 H HA 0.033 4.591 4.556 0.002 0.000 0.299 405 H C 1.404 176.328 175.328 -0.672 0.000 1.081 405 H CA 1.549 56.843 56.048 -1.256 0.000 1.345 405 H CB 0.129 29.040 29.762 -1.419 0.000 1.393 405 H HN -0.015 nan 8.280 nan 0.000 0.520 406 N N -0.978 117.277 118.700 -0.741 0.000 2.415 406 N HA 0.028 4.769 4.740 0.002 0.000 0.174 406 N C 1.113 176.372 175.510 -0.419 0.000 1.048 406 N CA 1.012 53.570 53.050 -0.820 0.000 0.895 406 N CB 1.167 38.644 38.487 -1.684 0.000 1.036 406 N HN 0.270 nan 8.380 nan 0.000 0.449 407 V N -0.514 119.216 119.914 -0.307 0.000 3.442 407 V HA 0.068 4.189 4.120 0.002 0.000 0.205 407 V C 2.140 178.186 176.094 -0.079 0.000 1.320 407 V CA 0.174 62.420 62.300 -0.090 0.000 1.306 407 V CB -0.133 31.694 31.823 0.006 0.000 1.267 407 V HN -0.191 nan 8.190 nan 0.000 0.538 408 V N 0.197 120.065 119.914 -0.076 0.000 2.287 408 V HA -0.306 3.815 4.120 0.002 0.000 0.248 408 V C 2.484 178.540 176.094 -0.062 0.000 1.053 408 V CA 2.675 64.945 62.300 -0.050 0.000 1.027 408 V CB -0.785 31.038 31.823 -0.001 0.000 0.646 408 V HN 0.679 nan 8.190 nan 0.000 0.447 409 c N -0.598 117.957 118.600 -0.075 0.000 2.486 409 c HA 0.035 4.606 4.570 0.002 0.000 0.279 409 c C 0.576 174.632 174.090 -0.058 0.000 1.302 409 c CA 0.752 57.065 56.329 -0.028 0.000 1.720 409 c CB -1.776 40.751 42.510 0.029 0.000 2.030 409 c HN 0.455 nan 8.230 nan 0.000 0.490 410 P HA -0.096 nan 4.420 nan 0.000 0.216 410 P C 1.733 178.971 177.300 -0.104 0.000 1.153 410 P CA 1.452 64.480 63.100 -0.120 0.000 0.858 410 P CB -0.166 31.436 31.700 -0.163 0.000 0.789 411 V N -0.025 119.829 119.914 -0.100 0.000 2.343 411 V HA -0.250 3.872 4.120 0.002 0.000 0.247 411 V C 2.457 178.454 176.094 -0.162 0.000 1.051 411 V CA 2.238 64.463 62.300 -0.125 0.000 1.036 411 V CB -1.685 30.063 31.823 -0.125 0.000 0.654 411 V HN 0.105 nan 8.190 nan 0.000 0.451 412 A N -0.212 122.529 122.820 -0.131 0.000 1.902 412 A HA -0.316 4.005 4.320 0.002 0.000 0.217 412 A C 2.195 179.739 177.584 -0.067 0.000 1.181 412 A CA 2.234 54.201 52.037 -0.117 0.000 0.623 412 A CB -0.577 18.409 19.000 -0.024 0.000 0.818 412 A HN 0.597 nan 8.150 nan 0.000 0.443 413 Q N -0.470 119.307 119.800 -0.038 0.000 2.061 413 Q HA -0.185 4.156 4.340 0.002 0.000 0.204 413 Q C 1.856 177.828 176.000 -0.046 0.000 0.984 413 Q CA 2.094 57.886 55.803 -0.019 0.000 0.846 413 Q CB -0.528 28.197 28.738 -0.020 0.000 0.902 413 Q HN 0.508 nan 8.270 nan 0.000 0.421 414 L N 0.179 121.347 121.223 -0.091 0.000 2.017 414 L HA -0.017 4.324 4.340 0.002 0.000 0.208 414 L C 2.227 179.018 176.870 -0.133 0.000 1.073 414 L CA 2.240 57.010 54.840 -0.115 0.000 0.745 414 L CB -1.089 40.889 42.059 -0.135 0.000 0.894 414 L HN 0.317 nan 8.230 nan 0.000 0.432 415 A N -0.527 122.174 122.820 -0.198 0.000 1.908 415 A HA -0.111 4.210 4.320 0.002 0.000 0.218 415 A C 2.331 179.879 177.584 -0.060 0.000 1.181 415 A CA 1.700 53.563 52.037 -0.290 0.000 0.627 415 A CB -1.627 16.915 19.000 -0.764 0.000 0.818 415 A HN 0.542 nan 8.150 nan 0.000 0.445 416 G N -0.831 108.000 108.800 0.052 0.000 2.402 416 G HA2 -0.185 3.776 3.960 0.002 0.000 0.216 416 G HA3 -0.185 3.776 3.960 0.002 0.000 0.216 416 G C 1.697 176.667 174.900 0.118 0.000 1.162 416 G CA 0.738 45.961 45.100 0.206 0.000 0.777 416 G HN 0.388 nan 8.290 nan 0.000 0.539 417 R N 0.290 120.824 120.500 0.057 0.000 2.066 417 R HA 0.105 4.446 4.340 0.002 0.000 0.232 417 R C 2.684 179.034 176.300 0.082 0.000 1.131 417 R CA 0.593 56.732 56.100 0.065 0.000 0.955 417 R CB -1.175 29.153 30.300 0.047 0.000 0.851 417 R HN 0.408 nan 8.270 nan 0.000 0.432 418 L N 0.343 121.563 121.223 -0.005 0.000 2.046 418 L HA -0.130 4.211 4.340 0.002 0.000 0.208 418 L C 2.651 179.569 176.870 0.080 0.000 1.077 418 L CA 1.489 56.310 54.840 -0.032 0.000 0.747 418 L CB -0.755 41.188 42.059 -0.192 0.000 0.896 418 L HN 0.137 nan 8.230 nan 0.000 0.432 419 A N 0.166 123.042 122.820 0.092 0.000 1.902 419 A HA -0.135 4.186 4.320 0.002 0.000 0.217 419 A C 2.562 180.206 177.584 0.099 0.000 1.181 419 A CA 1.682 53.786 52.037 0.112 0.000 0.623 419 A CB -0.724 18.381 19.000 0.175 0.000 0.818 419 A HN 0.388 nan 8.150 nan 0.000 0.443 420 A N -1.344 121.539 122.820 0.104 0.000 1.933 420 A HA -0.161 4.160 4.320 0.002 0.000 0.218 420 A C 1.956 179.598 177.584 0.096 0.000 1.175 420 A CA 1.874 53.964 52.037 0.088 0.000 0.628 420 A CB -0.366 18.685 19.000 0.085 0.000 0.814 420 A HN 0.455 nan 8.150 nan 0.000 0.444 421 Q N -1.384 118.502 119.800 0.145 0.000 2.322 421 Q HA 0.328 4.669 4.340 0.002 0.000 0.203 421 Q C 1.024 177.120 176.000 0.160 0.000 0.923 421 Q CA 0.788 56.695 55.803 0.174 0.000 0.949 421 Q CB -0.090 28.856 28.738 0.346 0.000 1.039 421 Q HN 0.913 nan 8.270 nan 0.000 0.496 422 G N -1.600 107.273 108.800 0.123 0.000 2.175 422 G HA2 -0.248 3.713 3.960 0.002 0.000 0.244 422 G HA3 -0.248 3.713 3.960 0.002 0.000 0.244 422 G C 0.293 175.258 174.900 0.109 0.000 0.982 422 G CA -0.037 45.119 45.100 0.094 0.000 0.641 422 G HN 0.601 nan 8.290 nan 0.000 0.527 423 A N -0.152 122.754 122.820 0.144 0.000 2.332 423 A HA 0.737 5.058 4.320 0.002 0.000 0.258 423 A C 0.693 178.319 177.584 0.069 0.000 1.087 423 A CA 0.297 52.408 52.037 0.124 0.000 0.802 423 A CB 0.391 19.460 19.000 0.115 0.000 1.042 423 A HN 0.633 nan 8.150 nan 0.000 0.489 424 R N 1.093 121.632 120.500 0.065 0.000 2.198 424 R HA 0.508 4.849 4.340 0.002 0.000 0.339 424 R C -1.527 174.774 176.300 0.001 0.000 1.020 424 R CA -0.178 55.931 56.100 0.016 0.000 0.864 424 R CB 0.471 30.812 30.300 0.069 0.000 1.105 424 R HN 0.495 nan 8.270 nan 0.000 0.463 425 V N 5.421 125.267 119.914 -0.114 0.000 2.555 425 V HA 0.426 4.547 4.120 0.002 0.000 0.302 425 V C -1.048 174.877 176.094 -0.282 0.000 1.038 425 V CA -0.825 61.425 62.300 -0.084 0.000 0.887 425 V CB 1.591 33.423 31.823 0.015 0.000 0.991 425 V HN 0.632 nan 8.190 nan 0.000 0.434 426 Y N 2.037 122.303 120.300 -0.058 0.000 2.391 426 Y HA 0.782 5.333 4.550 0.002 0.000 0.341 426 Y C 0.293 176.263 175.900 0.117 0.000 0.965 426 Y CA -0.505 57.542 58.100 -0.087 0.000 1.067 426 Y CB 2.232 40.289 38.460 -0.671 0.000 1.199 426 Y HN 0.789 nan 8.280 nan 0.000 0.450 427 A N 3.274 126.460 122.820 0.611 0.000 2.380 427 A HA 0.887 5.208 4.320 0.002 0.000 0.315 427 A C -1.817 176.184 177.584 0.695 0.000 1.101 427 A CA -0.695 51.610 52.037 0.446 0.000 0.771 427 A CB 1.097 20.203 19.000 0.177 0.000 1.287 427 A HN 0.759 nan 8.150 nan 0.000 0.436 428 Y N -0.665 119.879 120.300 0.406 0.000 2.625 428 Y HA 0.789 5.340 4.550 0.002 0.000 0.338 428 Y C -1.224 174.852 175.900 0.293 0.000 1.123 428 Y CA -1.515 56.784 58.100 0.332 0.000 1.046 428 Y CB 1.285 39.941 38.460 0.326 0.000 1.299 428 Y HN 0.722 nan 8.280 nan 0.000 0.464 429 I N 3.060 123.937 120.570 0.511 0.000 2.465 429 I HA 0.502 4.673 4.170 0.002 0.000 0.291 429 I C -1.898 174.551 176.117 0.554 0.000 1.014 429 I CA -1.074 60.487 61.300 0.436 0.000 1.093 429 I CB 1.316 39.510 38.000 0.322 0.000 1.267 429 I HN 0.739 nan 8.210 nan 0.000 0.431 430 F N 7.201 127.425 119.950 0.456 0.000 2.385 430 F HA 0.421 4.949 4.527 0.002 0.000 0.360 430 F C 0.564 176.526 175.800 0.269 0.000 1.122 430 F CA 0.032 58.263 58.000 0.385 0.000 1.090 430 F CB 1.019 40.278 39.000 0.433 0.000 1.150 430 F HN 0.560 nan 8.300 nan 0.000 0.472 431 E N 2.713 122.798 120.200 -0.192 0.000 2.562 431 E HA -0.028 4.323 4.350 0.002 0.000 0.214 431 E C -0.683 175.821 176.600 -0.159 0.000 0.979 431 E CA -0.133 56.225 56.400 -0.069 0.000 1.002 431 E CB 0.323 30.002 29.700 -0.035 0.000 1.048 431 E HN 0.540 nan 8.360 nan 0.000 0.488 432 H N 1.608 120.357 119.070 -0.536 0.000 2.604 432 H HA 0.206 4.763 4.556 0.002 0.000 0.306 432 H C -0.357 174.959 175.328 -0.019 0.000 1.075 432 H CA -0.398 55.409 56.048 -0.402 0.000 1.357 432 H CB 0.481 29.784 29.762 -0.764 0.000 1.426 432 H HN -0.157 nan 8.280 nan 0.000 0.470 433 R N 4.286 124.480 120.500 -0.510 0.000 2.221 433 R HA 0.495 4.837 4.340 0.002 0.000 0.327 433 R C -0.642 175.417 176.300 -0.403 0.000 1.033 433 R CA -0.656 55.297 56.100 -0.245 0.000 0.887 433 R CB 0.444 30.682 30.300 -0.103 0.000 1.057 433 R HN 0.801 nan 8.270 nan 0.000 0.455 434 A N 3.200 126.077 122.820 0.095 0.000 2.546 434 A HA 0.023 4.344 4.320 0.002 0.000 0.243 434 A C 1.384 179.078 177.584 0.183 0.000 1.063 434 A CA 0.457 52.734 52.037 0.401 0.000 0.757 434 A CB 0.317 19.689 19.000 0.619 0.000 0.991 434 A HN 1.039 nan 8.150 nan 0.000 0.503 435 S N 1.794 117.632 115.700 0.230 0.000 2.400 435 S HA -0.206 4.265 4.470 0.002 0.000 0.232 435 S C 1.452 176.060 174.600 0.014 0.000 1.025 435 S CA 1.885 60.150 58.200 0.107 0.000 0.993 435 S CB -0.958 62.325 63.200 0.138 0.000 0.808 435 S HN 1.315 nan 8.310 nan 0.000 0.478 436 T N -0.953 113.579 114.554 -0.037 0.000 3.129 436 T HA 0.334 4.685 4.350 0.002 0.000 0.251 436 T C 0.411 175.048 174.700 -0.106 0.000 1.117 436 T CA -0.521 61.487 62.100 -0.153 0.000 1.034 436 T CB -0.478 68.155 68.868 -0.390 0.000 0.968 436 T HN 0.218 nan 8.240 nan 0.000 0.526 437 L N 4.127 125.329 121.223 -0.035 0.000 2.499 437 L HA 0.258 4.599 4.340 0.002 0.000 0.273 437 L C 1.513 178.335 176.870 -0.081 0.000 1.195 437 L CA 0.666 55.475 54.840 -0.052 0.000 0.882 437 L CB 0.743 42.782 42.059 -0.034 0.000 1.133 437 L HN 0.444 nan 8.230 nan 0.000 0.483 438 T N -0.258 114.203 114.554 -0.155 0.000 3.037 438 T HA 0.071 4.422 4.350 0.002 0.000 0.251 438 T C 0.441 175.125 174.700 -0.026 0.000 1.079 438 T CA -0.370 61.634 62.100 -0.161 0.000 1.067 438 T CB -0.330 68.295 68.868 -0.404 0.000 0.948 438 T HN 0.424 nan 8.240 nan 0.000 0.496 439 W N 3.603 124.920 121.300 0.029 0.000 2.137 439 W HA 0.375 5.036 4.660 0.002 0.000 0.344 439 W C -1.930 174.499 176.519 -0.150 0.000 1.286 439 W CA -2.200 55.120 57.345 -0.043 0.000 1.240 439 W CB 0.099 29.457 29.460 -0.170 0.000 1.141 439 W HN 0.000 nan 8.180 nan 0.000 0.579 440 P HA -0.023 nan 4.420 nan 0.000 0.271 440 P C 0.557 177.793 177.300 -0.106 0.000 1.233 440 P CA 0.054 63.131 63.100 -0.039 0.000 0.789 440 P CB 0.840 32.538 31.700 -0.003 0.000 0.951 441 L N 0.126 121.348 121.223 -0.001 0.000 2.083 441 L HA -0.132 4.209 4.340 0.002 0.000 0.209 441 L C 2.594 179.488 176.870 0.040 0.000 1.083 441 L CA 1.411 56.264 54.840 0.022 0.000 0.752 441 L CB -0.908 41.190 42.059 0.066 0.000 0.899 441 L HN 0.608 nan 8.230 nan 0.000 0.433 442 W N -0.598 120.740 121.300 0.064 0.000 2.387 442 W HA -0.195 4.466 4.660 0.002 0.000 0.272 442 W C 1.688 178.261 176.519 0.090 0.000 1.224 442 W CA 0.639 58.026 57.345 0.070 0.000 1.210 442 W CB -0.807 28.697 29.460 0.073 0.000 1.125 442 W HN 0.212 nan 8.180 nan 0.000 0.572 443 M N 1.196 120.463 119.600 -0.556 0.000 2.562 443 M HA 0.112 4.593 4.480 0.002 0.000 0.257 443 M C 1.914 178.124 176.300 -0.151 0.000 1.099 443 M CA 1.413 56.373 55.300 -0.566 0.000 1.099 443 M CB -0.701 31.423 32.600 -0.794 0.000 1.427 443 M HN 0.197 nan 8.290 nan 0.000 0.489 444 G N 0.916 109.682 108.800 -0.057 0.000 2.629 444 G HA2 -0.301 3.661 3.960 0.002 0.000 0.313 444 G HA3 -0.301 3.661 3.960 0.002 0.000 0.313 444 G C -0.031 174.888 174.900 0.032 0.000 1.217 444 G CA 0.053 45.166 45.100 0.021 0.000 0.994 444 G HN 0.279 nan 8.290 nan 0.000 0.549 445 V N 3.404 123.381 119.914 0.104 0.000 2.277 445 V HA 0.484 4.605 4.120 0.002 0.000 0.269 445 V C -1.894 174.336 176.094 0.226 0.000 1.036 445 V CA -0.915 61.501 62.300 0.193 0.000 0.821 445 V CB 1.140 33.132 31.823 0.283 0.000 1.052 445 V HN 0.527 nan 8.190 nan 0.000 0.462 446 P HA 0.186 nan 4.420 nan 0.000 0.276 446 P C -0.179 177.345 177.300 0.372 0.000 1.244 446 P CA -0.541 62.699 63.100 0.233 0.000 0.801 446 P CB 0.350 32.108 31.700 0.097 0.000 1.006 447 H N 1.000 120.173 119.070 0.171 0.000 3.231 447 H HA 0.168 4.725 4.556 0.002 0.000 0.280 447 H C 1.538 176.803 175.328 -0.105 0.000 0.901 447 H CA 2.449 58.525 56.048 0.047 0.000 1.414 447 H CB -0.863 28.909 29.762 0.017 0.000 1.433 447 H HN 0.755 nan 8.280 nan 0.000 0.549 448 G N 3.531 112.132 108.800 -0.332 0.000 2.253 448 G HA2 -0.280 3.681 3.960 0.002 0.000 0.209 448 G HA3 -0.280 3.681 3.960 0.002 0.000 0.209 448 G C 0.526 175.325 174.900 -0.169 0.000 0.997 448 G CA 0.191 45.042 45.100 -0.414 0.000 0.640 448 G HN 0.607 nan 8.290 nan 0.000 0.496 449 Y N 1.826 122.227 120.300 0.168 0.000 2.495 449 Y HA 0.265 4.816 4.550 0.002 0.000 0.293 449 Y C 2.263 178.285 175.900 0.203 0.000 1.186 449 Y CA 0.841 59.100 58.100 0.265 0.000 1.266 449 Y CB 0.457 39.122 38.460 0.342 0.000 1.101 449 Y HN 0.476 nan 8.280 nan 0.000 0.517 450 E N 0.071 120.229 120.200 -0.069 0.000 2.340 450 E HA -0.048 4.303 4.350 0.002 0.000 0.194 450 E C 1.598 178.092 176.600 -0.176 0.000 0.996 450 E CA 0.609 56.664 56.400 -0.575 0.000 0.869 450 E CB -0.398 28.523 29.700 -1.299 0.000 0.835 450 E HN 0.533 nan 8.360 nan 0.000 0.493 451 I N 2.980 123.522 120.570 -0.047 0.000 2.127 451 I HA -0.320 3.851 4.170 0.002 0.000 0.241 451 I C 2.729 178.822 176.117 -0.040 0.000 1.075 451 I CA 2.217 63.525 61.300 0.012 0.000 1.334 451 I CB -0.544 37.529 38.000 0.122 0.000 1.040 451 I HN 0.214 nan 8.210 nan 0.000 0.405 452 E N 1.011 121.129 120.200 -0.138 0.000 2.219 452 E HA -0.250 4.101 4.350 0.002 0.000 0.198 452 E C 1.980 178.315 176.600 -0.441 0.000 0.998 452 E CA 1.589 57.803 56.400 -0.310 0.000 0.818 452 E CB -0.506 28.980 29.700 -0.355 0.000 0.741 452 E HN 0.469 nan 8.360 nan 0.000 0.477 453 F N 1.069 120.911 119.950 -0.180 0.000 2.219 453 F HA 0.026 4.554 4.527 0.002 0.000 0.294 453 F C 2.326 177.910 175.800 -0.361 0.000 1.086 453 F CA 0.376 58.221 58.000 -0.258 0.000 1.330 453 F CB -0.089 38.840 39.000 -0.119 0.000 1.047 453 F HN -0.035 nan 8.300 nan 0.000 0.495 454 I N -0.710 119.715 120.570 -0.240 0.000 2.226 454 I HA -0.280 3.891 4.170 0.002 0.000 0.245 454 I C 2.151 178.036 176.117 -0.387 0.000 1.100 454 I CA 1.682 62.679 61.300 -0.504 0.000 1.374 454 I CB -1.464 36.092 38.000 -0.739 0.000 1.057 454 I HN 0.081 nan 8.210 nan 0.000 0.413 455 F N 1.059 120.824 119.950 -0.308 0.000 2.604 455 F HA 0.127 4.656 4.527 0.002 0.000 0.298 455 F C 1.923 177.583 175.800 -0.235 0.000 1.131 455 F CA 1.023 58.880 58.000 -0.238 0.000 1.457 455 F CB -0.355 38.485 39.000 -0.267 0.000 1.095 455 F HN 0.320 nan 8.300 nan 0.000 0.574 456 G N -0.236 108.423 108.800 -0.235 0.000 2.132 456 G HA2 -0.290 3.671 3.960 0.002 0.000 0.234 456 G HA3 -0.290 3.671 3.960 0.002 0.000 0.234 456 G C 0.973 175.344 174.900 -0.882 0.000 0.989 456 G CA 0.285 45.140 45.100 -0.407 0.000 0.676 456 G HN 0.295 nan 8.290 nan 0.000 0.522 457 L N 0.576 121.283 121.223 -0.861 0.000 2.081 457 L HA 0.018 4.359 4.340 0.002 0.000 0.212 457 L C 0.368 176.721 176.870 -0.863 0.000 1.080 457 L CA 2.809 57.053 54.840 -0.992 0.000 0.754 457 L CB -0.925 40.815 42.059 -0.532 0.000 0.893 457 L HN 0.214 nan 8.230 nan 0.000 0.433 458 P HA -0.153 nan 4.420 nan 0.000 0.229 458 P C 1.461 178.562 177.300 -0.332 0.000 1.150 458 P CA 0.889 63.507 63.100 -0.802 0.000 0.765 458 P CB 0.042 31.240 31.700 -0.836 0.000 0.783 459 L N -1.332 119.637 121.223 -0.424 0.000 2.395 459 L HA 0.015 4.356 4.340 0.002 0.000 0.218 459 L C 0.924 177.753 176.870 -0.068 0.000 1.130 459 L CA 1.020 55.733 54.840 -0.211 0.000 0.826 459 L CB -1.029 40.922 42.059 -0.179 0.000 0.941 459 L HN -0.071 nan 8.230 nan 0.000 0.451 460 D N 0.032 120.366 120.400 -0.109 0.000 2.338 460 D HA 0.055 4.696 4.640 0.002 0.000 0.255 460 D C -1.618 174.719 176.300 0.061 0.000 1.237 460 D CA -1.787 52.263 54.000 0.082 0.000 0.883 460 D CB 1.529 42.414 40.800 0.143 0.000 1.087 460 D HN 0.001 nan 8.370 nan 0.000 0.485 461 P HA -0.103 nan 4.420 nan 0.000 0.219 461 P C 1.258 178.582 177.300 0.040 0.000 1.150 461 P CA 0.754 63.884 63.100 0.050 0.000 0.814 461 P CB 0.066 31.789 31.700 0.039 0.000 0.787 462 S N -0.871 114.850 115.700 0.035 0.000 2.547 462 S HA -0.048 4.423 4.470 0.002 0.000 0.235 462 S C 1.641 176.237 174.600 -0.006 0.000 0.980 462 S CA 0.677 58.884 58.200 0.012 0.000 0.941 462 S CB -1.419 61.789 63.200 0.012 0.000 0.763 462 S HN 0.102 nan 8.310 nan 0.000 0.532 463 L N 0.767 122.000 121.223 0.015 0.000 2.558 463 L HA 0.198 4.539 4.340 0.002 0.000 0.225 463 L C 0.449 177.229 176.870 -0.149 0.000 1.128 463 L CA -0.003 54.817 54.840 -0.034 0.000 0.868 463 L CB -0.619 41.490 42.059 0.084 0.000 1.006 463 L HN 0.290 nan 8.230 nan 0.000 0.454 464 N N -1.497 117.163 118.700 -0.066 0.000 2.782 464 N HA -0.223 4.519 4.740 0.002 0.000 0.251 464 N C -0.392 175.048 175.510 -0.115 0.000 1.101 464 N CA 0.758 53.754 53.050 -0.090 0.000 0.764 464 N CB -1.568 36.846 38.487 -0.121 0.000 1.122 464 N HN 0.286 nan 8.380 nan 0.000 0.561 465 Y N 1.304 121.596 120.300 -0.013 0.000 2.357 465 Y HA 0.121 4.672 4.550 0.002 0.000 0.340 465 Y C 2.026 177.953 175.900 0.046 0.000 1.260 465 Y CA 0.364 58.482 58.100 0.030 0.000 1.425 465 Y CB 0.402 38.875 38.460 0.022 0.000 1.326 465 Y HN 0.059 nan 8.280 nan 0.000 0.580 466 T N -2.641 112.065 114.554 0.254 0.000 2.766 466 T HA 0.038 4.389 4.350 0.002 0.000 0.295 466 T C 1.125 175.907 174.700 0.137 0.000 1.024 466 T CA -0.222 61.972 62.100 0.157 0.000 1.018 466 T CB 0.704 69.656 68.868 0.140 0.000 1.002 466 T HN 0.712 nan 8.240 nan 0.000 0.532 467 T N 0.817 115.422 114.554 0.085 0.000 2.777 467 T HA -0.052 4.299 4.350 0.002 0.000 0.266 467 T C 1.862 176.596 174.700 0.057 0.000 1.040 467 T CA 1.617 63.754 62.100 0.061 0.000 1.141 467 T CB -0.411 68.481 68.868 0.040 0.000 0.868 467 T HN 0.740 nan 8.240 nan 0.000 0.444 468 E N 1.233 121.463 120.200 0.050 0.000 2.110 468 E HA -0.106 4.245 4.350 0.002 0.000 0.193 468 E C 2.199 178.823 176.600 0.040 0.000 0.988 468 E CA 1.002 57.413 56.400 0.019 0.000 0.804 468 E CB -0.123 29.565 29.700 -0.020 0.000 0.745 468 E HN 0.574 nan 8.360 nan 0.000 0.458 469 E N 0.035 120.301 120.200 0.110 0.000 2.274 469 E HA -0.120 4.231 4.350 0.002 0.000 0.194 469 E C 2.032 178.750 176.600 0.197 0.000 0.996 469 E CA 0.320 56.857 56.400 0.228 0.000 0.840 469 E CB 0.027 29.995 29.700 0.447 0.000 0.772 469 E HN 0.116 nan 8.360 nan 0.000 0.491 470 R N 1.134 121.692 120.500 0.098 0.000 2.062 470 R HA -0.093 4.248 4.340 0.002 0.000 0.229 470 R C 2.184 178.498 176.300 0.022 0.000 1.128 470 R CA 0.985 57.096 56.100 0.019 0.000 0.960 470 R CB -0.192 30.113 30.300 0.009 0.000 0.855 470 R HN 0.111 nan 8.270 nan 0.000 0.432 471 I N 0.788 121.385 120.570 0.045 0.000 2.208 471 I HA -0.288 3.883 4.170 0.002 0.000 0.245 471 I C 2.263 178.424 176.117 0.074 0.000 1.097 471 I CA 1.202 62.525 61.300 0.039 0.000 1.363 471 I CB -0.358 37.663 38.000 0.034 0.000 1.051 471 I HN 0.185 nan 8.210 nan 0.000 0.413 472 F N 1.830 121.732 119.950 -0.081 0.000 2.075 472 F HA -0.241 4.287 4.527 0.002 0.000 0.297 472 F C 2.493 178.266 175.800 -0.045 0.000 1.113 472 F CA 1.373 59.309 58.000 -0.107 0.000 1.218 472 F CB -0.792 38.066 39.000 -0.237 0.000 0.984 472 F HN 0.027 nan 8.300 nan 0.000 0.472 473 A N -0.094 122.674 122.820 -0.088 0.000 1.948 473 A HA -0.279 4.042 4.320 0.002 0.000 0.220 473 A C 2.171 179.639 177.584 -0.193 0.000 1.177 473 A CA 2.032 53.967 52.037 -0.170 0.000 0.636 473 A CB -0.951 17.981 19.000 -0.114 0.000 0.815 473 A HN 0.641 nan 8.150 nan 0.000 0.449 474 Q N -1.064 118.660 119.800 -0.127 0.000 2.119 474 Q HA -0.133 4.208 4.340 0.002 0.000 0.201 474 Q C 2.400 178.307 176.000 -0.156 0.000 0.972 474 Q CA 1.315 57.050 55.803 -0.113 0.000 0.847 474 Q CB -0.130 28.568 28.738 -0.066 0.000 0.903 474 Q HN 0.637 nan 8.270 nan 0.000 0.433 475 R N 0.193 120.586 120.500 -0.179 0.000 2.073 475 R HA -0.119 4.222 4.340 0.002 0.000 0.234 475 R C 2.289 178.346 176.300 -0.406 0.000 1.134 475 R CA 1.198 57.118 56.100 -0.300 0.000 0.952 475 R CB -0.263 29.942 30.300 -0.158 0.000 0.850 475 R HN 0.245 nan 8.270 nan 0.000 0.433 476 L N -0.067 120.996 121.223 -0.266 0.000 2.056 476 L HA -0.143 4.198 4.340 0.002 0.000 0.207 476 L C 2.529 179.385 176.870 -0.023 0.000 1.078 476 L CA 1.187 55.978 54.840 -0.082 0.000 0.749 476 L CB -0.335 41.512 42.059 -0.353 0.000 0.901 476 L HN 0.236 nan 8.230 nan 0.000 0.433 477 M N -0.543 118.972 119.600 -0.141 0.000 2.202 477 M HA -0.241 4.240 4.480 0.002 0.000 0.262 477 M C 2.290 178.593 176.300 0.006 0.000 1.063 477 M CA 1.708 56.956 55.300 -0.087 0.000 1.097 477 M CB -0.241 32.292 32.600 -0.112 0.000 1.382 477 M HN 0.127 nan 8.290 nan 0.000 0.413 478 K N -0.675 119.693 120.400 -0.054 0.000 2.062 478 K HA -0.124 4.198 4.320 0.002 0.000 0.205 478 K C 1.874 178.519 176.600 0.075 0.000 1.051 478 K CA 1.326 57.584 56.287 -0.049 0.000 0.941 478 K CB -0.068 32.335 32.500 -0.161 0.000 0.719 478 K HN 0.246 nan 8.250 nan 0.000 0.440 479 Y N 0.027 120.457 120.300 0.217 0.000 2.128 479 Y HA -0.255 4.296 4.550 0.002 0.000 0.284 479 Y C 2.286 178.300 175.900 0.190 0.000 1.154 479 Y CA 0.987 59.233 58.100 0.244 0.000 1.149 479 Y CB -0.792 37.944 38.460 0.460 0.000 0.976 479 Y HN 0.234 nan 8.280 nan 0.000 0.505 480 W N 0.546 121.925 121.300 0.132 0.000 2.335 480 W HA -0.242 4.419 4.660 0.002 0.000 0.311 480 W C 2.512 179.035 176.519 0.006 0.000 1.213 480 W CA 2.383 59.745 57.345 0.028 0.000 1.274 480 W CB -0.742 28.674 29.460 -0.073 0.000 1.148 480 W HN 0.246 nan 8.180 nan 0.000 0.498 481 T N -2.586 112.072 114.554 0.173 0.000 2.985 481 T HA -0.090 4.261 4.350 0.002 0.000 0.266 481 T C 1.416 176.138 174.700 0.036 0.000 1.076 481 T CA 0.982 63.115 62.100 0.055 0.000 1.135 481 T CB -0.475 68.404 68.868 0.018 0.000 0.890 481 T HN -0.104 nan 8.240 nan 0.000 0.480 482 N N 0.851 119.590 118.700 0.065 0.000 2.188 482 N HA 0.018 4.759 4.740 0.002 0.000 0.184 482 N C 1.312 176.818 175.510 -0.007 0.000 1.018 482 N CA 0.885 53.953 53.050 0.031 0.000 0.858 482 N CB -0.624 37.899 38.487 0.060 0.000 0.989 482 N HN 0.486 nan 8.380 nan 0.000 0.426 483 F N 1.618 121.477 119.950 -0.151 0.000 2.134 483 F HA -0.071 4.457 4.527 0.002 0.000 0.299 483 F C 2.136 177.848 175.800 -0.147 0.000 1.097 483 F CA 1.340 59.200 58.000 -0.233 0.000 1.264 483 F CB -0.426 38.346 39.000 -0.380 0.000 1.001 483 F HN 0.026 nan 8.300 nan 0.000 0.479 484 A N 0.497 123.222 122.820 -0.159 0.000 1.933 484 A HA -0.160 4.161 4.320 0.002 0.000 0.218 484 A C 2.355 179.824 177.584 -0.191 0.000 1.175 484 A CA 1.586 53.506 52.037 -0.195 0.000 0.628 484 A CB -0.685 18.271 19.000 -0.073 0.000 0.814 484 A HN 0.449 nan 8.150 nan 0.000 0.444 485 R N -1.174 119.244 120.500 -0.136 0.000 2.092 485 R HA -0.075 4.267 4.340 0.002 0.000 0.231 485 R C 1.876 178.093 176.300 -0.138 0.000 1.119 485 R CA 1.837 57.874 56.100 -0.106 0.000 0.970 485 R CB -0.115 30.148 30.300 -0.062 0.000 0.864 485 R HN 0.747 nan 8.270 nan 0.000 0.440 486 T N -6.494 107.948 114.554 -0.186 0.000 3.028 486 T HA 0.228 4.579 4.350 0.002 0.000 0.262 486 T C 1.122 175.695 174.700 -0.213 0.000 0.916 486 T CA 0.395 62.400 62.100 -0.159 0.000 0.873 486 T CB 1.344 70.155 68.868 -0.095 0.000 1.232 486 T HN 0.286 nan 8.240 nan 0.000 0.529 487 G N 1.271 109.825 108.800 -0.411 0.000 2.141 487 G HA2 -0.134 3.828 3.960 0.002 0.000 0.242 487 G HA3 -0.134 3.828 3.960 0.002 0.000 0.242 487 G C -0.408 174.412 174.900 -0.134 0.000 0.982 487 G CA 0.166 44.976 45.100 -0.483 0.000 0.662 487 G HN 0.799 nan 8.290 nan 0.000 0.527 488 D N -0.486 119.825 120.400 -0.149 0.000 2.736 488 D HA 0.448 5.089 4.640 0.002 0.000 0.243 488 D C -1.763 174.389 176.300 -0.246 0.000 1.304 488 D CA -1.555 52.314 54.000 -0.218 0.000 0.934 488 D CB 2.180 42.947 40.800 -0.055 0.000 1.382 488 D HN -0.004 nan 8.370 nan 0.000 0.571 489 P HA 0.017 nan 4.420 nan 0.000 0.245 489 P C -0.062 177.273 177.300 0.058 0.000 1.212 489 P CA -0.038 62.918 63.100 -0.240 0.000 0.774 489 P CB 0.353 31.649 31.700 -0.673 0.000 0.999 490 N N 1.511 120.210 118.700 -0.000 0.000 2.530 490 N HA 0.032 4.773 4.740 0.002 0.000 0.273 490 N C 0.014 175.593 175.510 0.115 0.000 1.173 490 N CA 0.153 53.290 53.050 0.145 0.000 0.967 490 N CB 0.589 39.152 38.487 0.128 0.000 1.109 490 N HN -0.011 nan 8.380 nan 0.000 0.453 491 D N 2.652 123.134 120.400 0.137 0.000 2.342 491 D HA 0.047 4.688 4.640 0.002 0.000 0.260 491 D C -1.219 175.119 176.300 0.063 0.000 1.278 491 D CA -1.254 52.795 54.000 0.081 0.000 0.910 491 D CB 0.977 41.819 40.800 0.071 0.000 1.079 491 D HN 0.333 nan 8.370 nan 0.000 0.496 492 P HA -0.075 nan 4.420 nan 0.000 0.230 492 P C 0.894 178.214 177.300 0.033 0.000 1.158 492 P CA 0.732 63.853 63.100 0.036 0.000 0.769 492 P CB 0.437 32.149 31.700 0.021 0.000 0.807 493 R N -0.038 120.481 120.500 0.032 0.000 2.342 493 R HA 0.132 4.473 4.340 0.002 0.000 0.204 493 R C 0.679 176.998 176.300 0.031 0.000 0.882 493 R CA 0.431 56.547 56.100 0.028 0.000 1.041 493 R CB -1.289 29.023 30.300 0.021 0.000 1.188 493 R HN 0.239 nan 8.270 nan 0.000 0.598 494 D N -0.063 120.359 120.400 0.037 0.000 2.390 494 D HA 0.152 4.793 4.640 0.002 0.000 0.249 494 D C 1.053 177.384 176.300 0.051 0.000 1.144 494 D CA 0.702 54.726 54.000 0.041 0.000 0.880 494 D CB 1.503 42.328 40.800 0.043 0.000 1.182 494 D HN 0.237 nan 8.370 nan 0.000 0.451 495 S N 3.646 119.374 115.700 0.046 0.000 2.240 495 S HA 0.078 4.549 4.470 0.002 0.000 0.154 495 S C -0.309 174.327 174.600 0.061 0.000 1.332 495 S CA 0.312 58.542 58.200 0.050 0.000 2.219 495 S CB -0.257 62.967 63.200 0.040 0.000 0.433 495 S HN 0.651 nan 8.310 nan 0.000 0.355 496 K N 1.336 121.768 120.400 0.054 0.000 5.269 496 K HA -0.124 4.197 4.320 0.002 0.000 0.600 496 K C -0.318 176.325 176.600 0.071 0.000 1.710 496 K CA 0.606 56.927 56.287 0.058 0.000 1.330 496 K CB -0.818 31.716 32.500 0.056 0.000 1.847 496 K HN 0.658 nan 8.250 nan 0.000 0.282 497 S N 4.078 119.815 115.700 0.061 0.000 2.564 497 S HA 0.538 5.009 4.470 0.002 0.000 0.278 497 S C -1.835 172.800 174.600 0.059 0.000 1.333 497 S CA -1.166 57.072 58.200 0.064 0.000 1.048 497 S CB 0.886 64.116 63.200 0.051 0.000 0.900 497 S HN 0.373 nan 8.310 nan 0.000 0.505 498 P HA 0.387 nan 4.420 nan 0.000 0.292 498 P C -0.918 176.448 177.300 0.111 0.000 1.283 498 P CA -0.724 62.418 63.100 0.070 0.000 0.835 498 P CB 0.718 32.442 31.700 0.041 0.000 1.017 499 Q N 0.728 120.607 119.800 0.131 0.000 2.259 499 Q HA 0.150 4.491 4.340 0.002 0.000 0.246 499 Q C -0.590 175.564 176.000 0.257 0.000 0.920 499 Q CA -0.150 55.770 55.803 0.194 0.000 0.895 499 Q CB 1.124 29.967 28.738 0.176 0.000 1.220 499 Q HN 0.575 nan 8.270 nan 0.000 0.439 500 W N 5.738 127.096 121.300 0.097 0.000 2.546 500 W HA 0.221 4.882 4.660 0.002 0.000 0.323 500 W C -2.402 174.256 176.519 0.231 0.000 1.272 500 W CA -2.205 55.209 57.345 0.115 0.000 1.404 500 W CB -0.056 29.422 29.460 0.030 0.000 1.411 500 W HN 0.371 nan 8.180 nan 0.000 0.480 501 P HA 0.296 nan 4.420 nan 0.000 0.281 501 P C -2.579 174.908 177.300 0.312 0.000 1.249 501 P CA -1.839 61.481 63.100 0.367 0.000 0.810 501 P CB 0.501 32.327 31.700 0.210 0.000 1.008 502 P HA 0.050 nan 4.420 nan 0.000 0.269 502 P C -0.722 176.553 177.300 -0.042 0.000 1.209 502 P CA 0.069 62.958 63.100 -0.352 0.000 0.776 502 P CB 0.068 31.542 31.700 -0.377 0.000 0.876 503 Y N 2.816 123.049 120.300 -0.112 0.000 2.402 503 Y HA 0.322 4.873 4.550 0.002 0.000 0.333 503 Y C 0.453 176.340 175.900 -0.022 0.000 1.076 503 Y CA 0.655 58.761 58.100 0.010 0.000 1.299 503 Y CB 0.243 38.733 38.460 0.050 0.000 1.197 503 Y HN 0.391 nan 8.280 nan 0.000 0.517 504 T N 0.299 114.623 114.554 -0.384 0.000 2.907 504 T HA 0.250 4.602 4.350 0.002 0.000 0.292 504 T C 0.925 175.411 174.700 -0.356 0.000 1.043 504 T CA -0.195 61.772 62.100 -0.221 0.000 1.003 504 T CB 1.335 70.122 68.868 -0.136 0.000 1.084 504 T HN 0.657 nan 8.240 nan 0.000 0.483 505 T N -0.353 114.134 114.554 -0.112 0.000 2.833 505 T HA -0.010 4.341 4.350 0.002 0.000 0.269 505 T C 2.195 176.846 174.700 -0.082 0.000 1.054 505 T CA 0.996 63.063 62.100 -0.056 0.000 1.135 505 T CB -0.806 68.085 68.868 0.037 0.000 0.869 505 T HN 0.866 nan 8.240 nan 0.000 0.466 506 A N 2.193 124.967 122.820 -0.077 0.000 1.825 506 A HA 0.433 4.754 4.320 0.002 0.000 0.214 506 A C 2.810 180.349 177.584 -0.074 0.000 1.206 506 A CA 1.774 53.779 52.037 -0.054 0.000 0.609 506 A CB -1.453 17.526 19.000 -0.035 0.000 0.851 506 A HN 0.737 nan 8.150 nan 0.000 0.445 507 A N -1.944 120.814 122.820 -0.103 0.000 2.016 507 A HA 0.123 4.444 4.320 0.002 0.000 0.217 507 A C 1.051 178.554 177.584 -0.135 0.000 1.162 507 A CA 1.101 53.084 52.037 -0.090 0.000 0.662 507 A CB -0.477 18.483 19.000 -0.067 0.000 0.812 507 A HN 0.648 nan 8.150 nan 0.000 0.450 508 Q N -0.486 119.117 119.800 -0.328 0.000 2.434 508 Q HA -0.228 4.113 4.340 0.002 0.000 0.299 508 Q C -0.690 175.239 176.000 -0.117 0.000 1.286 508 Q CA 0.721 56.210 55.803 -0.523 0.000 0.872 508 Q CB -1.804 26.842 28.738 -0.154 0.000 1.193 508 Q HN 0.842 nan 8.270 nan 0.000 0.466 509 Q N 0.480 120.232 119.800 -0.079 0.000 2.288 509 Q HA 0.451 4.792 4.340 0.002 0.000 0.254 509 Q C -0.367 175.872 176.000 0.398 0.000 0.932 509 Q CA -0.023 55.856 55.803 0.127 0.000 0.902 509 Q CB 0.537 29.315 28.738 0.065 0.000 1.203 509 Q HN 0.359 nan 8.270 nan 0.000 0.415 510 Y N -1.424 119.005 120.300 0.215 0.000 2.644 510 Y HA 0.736 5.288 4.550 0.002 0.000 0.338 510 Y C -1.001 174.924 175.900 0.042 0.000 1.119 510 Y CA -1.571 56.673 58.100 0.240 0.000 1.060 510 Y CB 0.580 39.195 38.460 0.260 0.000 1.294 510 Y HN 0.349 nan 8.280 nan 0.000 0.472 511 V N -0.241 119.620 119.914 -0.088 0.000 2.815 511 V HA 0.843 4.964 4.120 0.002 0.000 0.314 511 V C -0.217 175.794 176.094 -0.138 0.000 1.064 511 V CA -0.509 61.570 62.300 -0.367 0.000 0.952 511 V CB 1.256 32.562 31.823 -0.862 0.000 1.020 511 V HN 1.194 nan 8.190 nan 0.000 0.439 512 S N 3.952 119.568 115.700 -0.139 0.000 2.499 512 S HA 0.701 5.172 4.470 0.002 0.000 0.279 512 S C -0.521 174.048 174.600 -0.052 0.000 1.219 512 S CA -0.680 57.515 58.200 -0.008 0.000 1.062 512 S CB 0.676 63.870 63.200 -0.010 0.000 0.978 512 S HN 0.775 nan 8.310 nan 0.000 0.489 513 L N 5.118 126.360 121.223 0.031 0.000 2.264 513 L HA 0.521 4.862 4.340 0.002 0.000 0.287 513 L C 0.474 177.280 176.870 -0.107 0.000 1.039 513 L CA -0.360 54.519 54.840 0.065 0.000 0.829 513 L CB -0.059 42.126 42.059 0.210 0.000 1.211 513 L HN 0.916 nan 8.230 nan 0.000 0.427 514 N N 2.651 121.226 118.700 -0.209 0.000 3.439 514 N HA 0.307 5.048 4.740 0.002 0.000 0.313 514 N C 0.448 175.420 175.510 -0.896 0.000 1.598 514 N CA -0.921 51.732 53.050 -0.661 0.000 0.830 514 N CB 1.332 39.595 38.487 -0.374 0.000 1.849 514 N HN 0.191 nan 8.380 nan 0.000 0.598 515 L N -0.133 120.575 121.223 -0.858 0.000 2.141 515 L HA 0.016 4.357 4.340 0.002 0.000 0.209 515 L C 0.859 177.552 176.870 -0.296 0.000 1.094 515 L CA 1.095 55.544 54.840 -0.651 0.000 0.763 515 L CB -0.505 41.262 42.059 -0.488 0.000 0.908 515 L HN 0.342 nan 8.230 nan 0.000 0.437 516 K N 0.445 120.714 120.400 -0.219 0.000 2.219 516 K HA 0.204 4.525 4.320 0.002 0.000 0.258 516 K C -2.128 174.432 176.600 -0.066 0.000 1.008 516 K CA -1.833 54.386 56.287 -0.113 0.000 0.928 516 K CB -0.062 32.382 32.500 -0.093 0.000 0.983 516 K HN -0.179 nan 8.250 nan 0.000 0.484 517 P HA -0.056 nan 4.420 nan 0.000 0.269 517 P C -0.230 177.071 177.300 0.001 0.000 1.217 517 P CA -0.041 63.068 63.100 0.015 0.000 0.783 517 P CB 0.381 32.091 31.700 0.016 0.000 0.898 518 L N 1.448 122.686 121.223 0.024 0.000 2.615 518 L HA -0.071 4.270 4.340 0.002 0.000 0.284 518 L C 1.105 177.934 176.870 -0.068 0.000 1.237 518 L CA 0.903 55.715 54.840 -0.046 0.000 0.905 518 L CB -0.227 41.797 42.059 -0.059 0.000 1.149 518 L HN 0.522 nan 8.230 nan 0.000 0.499 519 E N 3.099 123.232 120.200 -0.112 0.000 2.176 519 E HA 0.381 4.732 4.350 0.002 0.000 0.267 519 E C -1.352 175.145 176.600 -0.172 0.000 0.893 519 E CA -0.800 55.533 56.400 -0.111 0.000 0.761 519 E CB 1.916 31.560 29.700 -0.094 0.000 1.133 519 E HN 0.306 nan 8.360 nan 0.000 0.409 520 V N 5.249 125.076 119.914 -0.145 0.000 2.432 520 V HA 0.359 4.480 4.120 0.002 0.000 0.271 520 V C 0.348 176.303 176.094 -0.231 0.000 1.046 520 V CA -0.162 62.032 62.300 -0.176 0.000 0.945 520 V CB 0.725 32.501 31.823 -0.079 0.000 0.992 520 V HN 0.690 nan 8.190 nan 0.000 0.471 521 R N 3.899 124.138 120.500 -0.436 0.000 2.873 521 R HA 0.740 5.081 4.340 0.002 0.000 0.264 521 R C -0.685 175.399 176.300 -0.359 0.000 1.026 521 R CA -1.012 54.809 56.100 -0.465 0.000 1.002 521 R CB 2.261 32.133 30.300 -0.713 0.000 1.174 521 R HN 0.580 nan 8.270 nan 0.000 0.488 522 R N 0.060 120.513 120.500 -0.079 0.000 2.439 522 R HA 0.456 4.797 4.340 0.002 0.000 0.310 522 R C -0.891 175.570 176.300 0.268 0.000 0.955 522 R CA -0.422 55.737 56.100 0.098 0.000 0.853 522 R CB 2.154 32.480 30.300 0.042 0.000 1.171 522 R HN 0.901 nan 8.270 nan 0.000 0.449 523 G N 2.603 111.637 108.800 0.390 0.000 3.405 523 G HA2 -0.199 3.762 3.960 0.002 0.000 0.676 523 G HA3 -0.199 3.762 3.960 0.002 0.000 0.676 523 G C -1.127 173.962 174.900 0.314 0.000 1.039 523 G CA -0.956 44.326 45.100 0.304 0.000 0.855 523 G HN 0.411 nan 8.290 nan 0.000 0.443 524 L N 3.973 125.282 121.223 0.144 0.000 2.356 524 L HA 0.535 4.876 4.340 0.002 0.000 0.282 524 L C 1.587 178.466 176.870 0.016 0.000 1.132 524 L CA -0.095 54.667 54.840 -0.130 0.000 0.923 524 L CB -0.451 41.438 42.059 -0.284 0.000 1.278 524 L HN 0.696 nan 8.230 nan 0.000 0.436 525 R N 2.750 123.298 120.500 0.079 0.000 3.322 525 R HA -0.294 4.047 4.340 0.002 0.000 0.253 525 R C 1.362 177.753 176.300 0.152 0.000 0.987 525 R CA 0.529 56.707 56.100 0.131 0.000 0.666 525 R CB -1.629 28.757 30.300 0.143 0.000 1.072 525 R HN 0.799 nan 8.270 nan 0.000 0.447 526 A N 0.590 123.497 122.820 0.146 0.000 1.883 526 A HA -0.257 4.064 4.320 0.002 0.000 0.217 526 A C 2.022 179.694 177.584 0.147 0.000 1.186 526 A CA 1.287 53.410 52.037 0.144 0.000 0.624 526 A CB -0.115 18.965 19.000 0.133 0.000 0.822 526 A HN 0.427 nan 8.150 nan 0.000 0.444 527 Q N -0.566 119.318 119.800 0.141 0.000 2.016 527 Q HA -0.113 4.228 4.340 0.002 0.000 0.200 527 Q C 2.276 178.397 176.000 0.201 0.000 0.978 527 Q CA 2.102 57.993 55.803 0.146 0.000 0.833 527 Q CB -1.369 27.438 28.738 0.115 0.000 0.895 527 Q HN 0.662 nan 8.270 nan 0.000 0.427 528 T N 0.936 115.627 114.554 0.229 0.000 2.720 528 T HA -0.147 4.204 4.350 0.002 0.000 0.268 528 T C 2.092 177.023 174.700 0.386 0.000 1.037 528 T CA 1.420 63.702 62.100 0.304 0.000 1.144 528 T CB -0.373 68.682 68.868 0.311 0.000 0.864 528 T HN 0.323 nan 8.240 nan 0.000 0.444 529 c N 1.530 120.330 118.600 0.334 0.000 2.446 529 c HA 0.250 4.821 4.570 0.002 0.000 0.279 529 c C 3.174 177.426 174.090 0.269 0.000 1.366 529 c CA -0.088 56.445 56.329 0.340 0.000 1.763 529 c CB -1.458 41.185 42.510 0.222 0.000 1.929 529 c HN 0.648 nan 8.230 nan 0.000 0.509 530 A N 0.372 123.319 122.820 0.212 0.000 1.940 530 A HA -0.225 4.096 4.320 0.002 0.000 0.219 530 A C 1.882 179.568 177.584 0.171 0.000 1.176 530 A CA 1.773 53.911 52.037 0.168 0.000 0.631 530 A CB -0.811 18.274 19.000 0.141 0.000 0.814 530 A HN 0.577 nan 8.150 nan 0.000 0.446 531 F N -0.956 118.993 119.950 -0.000 0.000 2.102 531 F HA -0.165 4.363 4.527 0.002 0.000 0.298 531 F C 1.909 177.664 175.800 -0.075 0.000 1.105 531 F CA 1.779 59.694 58.000 -0.142 0.000 1.239 531 F CB -0.469 38.179 39.000 -0.587 0.000 0.991 531 F HN 0.369 nan 8.300 nan 0.000 0.474 532 W N 0.406 121.679 121.300 -0.046 0.000 2.476 532 W HA -0.053 4.608 4.660 0.002 0.000 0.281 532 W C 2.015 178.480 176.519 -0.090 0.000 1.230 532 W CA 0.718 57.993 57.345 -0.118 0.000 1.287 532 W CB -0.338 29.188 29.460 0.110 0.000 1.108 532 W HN -0.028 nan 8.180 nan 0.000 0.567 533 N N -0.549 118.262 118.700 0.186 0.000 2.415 533 N HA 0.069 4.810 4.740 0.002 0.000 0.174 533 N C 1.501 177.041 175.510 0.051 0.000 1.048 533 N CA 0.751 53.866 53.050 0.108 0.000 0.895 533 N CB -0.140 38.412 38.487 0.109 0.000 1.036 533 N HN 0.202 nan 8.380 nan 0.000 0.449 534 R N -1.037 119.496 120.500 0.055 0.000 2.121 534 R HA 0.233 4.574 4.340 0.002 0.000 0.206 534 R C 1.457 177.780 176.300 0.038 0.000 1.094 534 R CA 0.193 56.325 56.100 0.053 0.000 1.055 534 R CB -0.137 30.217 30.300 0.090 0.000 0.964 534 R HN 0.048 nan 8.270 nan 0.000 0.473 535 F N 1.017 120.882 119.950 -0.141 0.000 2.220 535 F HA 0.072 4.600 4.527 0.002 0.000 0.290 535 F C 1.851 177.493 175.800 -0.262 0.000 1.080 535 F CA 0.635 58.530 58.000 -0.176 0.000 1.318 535 F CB -0.164 38.749 39.000 -0.144 0.000 1.063 535 F HN -0.150 nan 8.300 nan 0.000 0.498 536 L N 1.198 122.112 121.223 -0.514 0.000 2.012 536 L HA -0.106 4.235 4.340 0.002 0.000 0.210 536 L C -0.836 175.803 176.870 -0.384 0.000 1.073 536 L CA 2.095 56.588 54.840 -0.578 0.000 0.748 536 L CB -1.644 40.051 42.059 -0.607 0.000 0.891 536 L HN 0.007 nan 8.230 nan 0.000 0.431 537 P HA -0.216 nan 4.420 nan 0.000 0.216 537 P C 1.295 178.469 177.300 -0.210 0.000 1.150 537 P CA 1.641 64.640 63.100 -0.168 0.000 0.843 537 P CB -0.051 31.589 31.700 -0.100 0.000 0.787 538 K N -1.221 119.008 120.400 -0.285 0.000 2.147 538 K HA -0.107 4.214 4.320 0.002 0.000 0.205 538 K C 1.889 178.286 176.600 -0.338 0.000 1.049 538 K CA 0.904 57.022 56.287 -0.281 0.000 0.936 538 K CB -0.651 31.678 32.500 -0.284 0.000 0.722 538 K HN 0.097 nan 8.250 nan 0.000 0.446 539 L N 0.848 121.772 121.223 -0.497 0.000 2.179 539 L HA -0.028 4.314 4.340 0.002 0.000 0.208 539 L C 1.720 178.455 176.870 -0.225 0.000 1.096 539 L CA 1.238 55.830 54.840 -0.413 0.000 0.779 539 L CB 0.019 41.752 42.059 -0.543 0.000 0.922 539 L HN 0.077 nan 8.230 nan 0.000 0.443 540 L N -1.215 119.887 121.223 -0.201 0.000 2.127 540 L HA 0.000 4.341 4.340 0.002 0.000 0.203 540 L C 1.830 178.641 176.870 -0.098 0.000 1.080 540 L CA 0.918 55.685 54.840 -0.123 0.000 0.768 540 L CB -0.583 41.416 42.059 -0.100 0.000 0.924 540 L HN 0.353 nan 8.230 nan 0.000 0.444 541 S N -0.082 115.553 115.700 -0.108 0.000 3.033 541 S HA 0.378 4.849 4.470 0.002 0.000 0.258 541 S C 0.689 175.242 174.600 -0.078 0.000 1.207 541 S CA 0.274 58.425 58.200 -0.082 0.000 1.248 541 S CB 0.011 63.165 63.200 -0.077 0.000 0.932 541 S HN 0.344 nan 8.310 nan 0.000 0.472 542 A N -0.629 122.144 122.820 -0.078 0.000 2.487 542 A HA 0.405 4.726 4.320 0.002 0.000 0.192 542 A C 0.579 178.130 177.584 -0.055 0.000 1.709 542 A CA 0.111 52.111 52.037 -0.062 0.000 1.105 542 A CB -0.691 18.268 19.000 -0.068 0.000 1.081 542 A HN 0.675 nan 8.150 nan 0.000 0.445 543 T N 0.000 114.517 114.554 -0.061 0.000 3.816 543 T HA 0.000 4.351 4.350 0.002 0.000 0.228 543 T CA 0.000 62.071 62.100 -0.049 0.000 1.349 543 T CB 0.000 68.848 68.868 -0.034 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658