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 2gyw_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 PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcXXXXXX 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 0.000 176.627 176.600 0.045 0.000 1.382 4 E CA 0.000 56.420 56.400 0.033 0.000 0.976 4 E CB 0.000 29.719 29.700 0.032 0.000 0.812 5 D N 5.573 126.010 120.400 0.061 0.000 2.316 5 D HA 0.252 4.917 4.640 0.041 0.000 0.245 5 D C -1.662 174.690 176.300 0.086 0.000 1.171 5 D CA -2.255 51.797 54.000 0.086 0.000 0.856 5 D CB 1.695 42.570 40.800 0.125 0.000 1.090 5 D HN 0.245 nan 8.370 nan 0.000 0.476 6 P HA -0.121 nan 4.420 nan 0.000 0.219 6 P C 1.141 178.472 177.300 0.052 0.000 1.146 6 P CA 0.836 63.962 63.100 0.044 0.000 0.808 6 P CB 0.386 32.097 31.700 0.019 0.000 0.779 7 Q N -0.924 118.910 119.800 0.058 0.000 2.297 7 Q HA 0.035 4.399 4.340 0.041 0.000 0.204 7 Q C 1.728 177.855 176.000 0.213 0.000 0.962 7 Q CA 0.959 56.795 55.803 0.055 0.000 0.879 7 Q CB -0.287 28.384 28.738 -0.111 0.000 0.947 7 Q HN 0.396 nan 8.270 nan 0.000 0.462 8 L N -0.099 121.256 121.223 0.220 0.000 2.607 8 L HA 0.218 4.582 4.340 0.041 0.000 0.228 8 L C 0.454 177.540 176.870 0.361 0.000 1.123 8 L CA -0.079 54.927 54.840 0.278 0.000 0.890 8 L CB 0.242 42.366 42.059 0.109 0.000 1.103 8 L HN -0.031 nan 8.230 nan 0.000 0.468 9 L N 0.880 122.240 121.223 0.228 0.000 2.287 9 L HA 0.521 4.886 4.340 0.041 0.000 0.287 9 L C -0.874 176.020 176.870 0.038 0.000 1.022 9 L CA -0.446 54.484 54.840 0.151 0.000 0.814 9 L CB 2.115 44.227 42.059 0.088 0.000 1.217 9 L HN -0.213 nan 8.230 nan 0.000 0.420 10 V N 3.866 123.760 119.914 -0.033 0.000 2.638 10 V HA 0.432 4.576 4.120 0.041 0.000 0.306 10 V C -0.289 175.718 176.094 -0.144 0.000 1.052 10 V CA -0.791 61.353 62.300 -0.259 0.000 0.885 10 V CB 2.146 33.520 31.823 -0.748 0.000 0.999 10 V HN 0.690 nan 8.190 nan 0.000 0.424 11 R N 3.820 124.223 120.500 -0.162 0.000 2.198 11 R HA 0.669 5.034 4.340 0.041 0.000 0.339 11 R C -0.485 175.723 176.300 -0.153 0.000 1.020 11 R CA -0.299 55.738 56.100 -0.105 0.000 0.864 11 R CB 1.183 31.427 30.300 -0.093 0.000 1.105 11 R HN 0.709 nan 8.270 nan 0.000 0.463 12 V N 1.883 121.754 119.914 -0.071 0.000 3.302 12 V HA 0.432 4.576 4.120 0.041 0.000 0.316 12 V C 1.275 177.288 176.094 -0.135 0.000 1.111 12 V CA -0.804 61.447 62.300 -0.081 0.000 1.029 12 V CB 1.538 33.445 31.823 0.140 0.000 1.170 12 V HN 0.827 nan 8.190 nan 0.000 0.452 13 R N 0.822 121.223 120.500 -0.166 0.000 2.127 13 R HA -0.046 4.319 4.340 0.041 0.000 0.238 13 R C 2.061 178.204 176.300 -0.261 0.000 1.134 13 R CA 1.650 57.640 56.100 -0.183 0.000 0.975 13 R CB -0.711 29.495 30.300 -0.156 0.000 0.865 13 R HN 0.979 nan 8.270 nan 0.000 0.447 14 G N -0.427 108.154 108.800 -0.365 0.000 2.712 14 G HA2 0.267 4.251 3.960 0.041 0.000 0.212 14 G HA3 0.267 4.251 3.960 0.041 0.000 0.212 14 G C 0.442 174.448 174.900 -1.490 0.000 1.142 14 G CA 0.557 45.178 45.100 -0.799 0.000 0.789 14 G HN 0.583 nan 8.290 nan 0.000 0.535 15 G N -1.233 106.969 108.800 -0.997 0.000 2.325 15 G HA2 0.112 4.097 3.960 0.041 0.000 0.285 15 G HA3 0.112 4.097 3.960 0.041 0.000 0.285 15 G C -1.081 173.800 174.900 -0.032 0.000 1.303 15 G CA -0.926 43.744 45.100 -0.716 0.000 0.970 15 G HN 0.278 nan 8.290 nan 0.000 0.490 16 Q N -0.633 119.314 119.800 0.244 0.000 2.260 16 Q HA 0.716 5.081 4.340 0.041 0.000 0.242 16 Q C -0.474 175.816 176.000 0.482 0.000 0.932 16 Q CA -0.163 55.827 55.803 0.310 0.000 0.891 16 Q CB 1.643 30.490 28.738 0.182 0.000 1.222 16 Q HN 0.461 nan 8.270 nan 0.000 0.453 17 L N 1.015 122.423 121.223 0.307 0.000 2.409 17 L HA 0.600 4.965 4.340 0.041 0.000 0.262 17 L C -0.652 176.372 176.870 0.257 0.000 0.992 17 L CA -0.760 54.249 54.840 0.283 0.000 0.817 17 L CB 2.399 44.659 42.059 0.335 0.000 1.350 17 L HN 0.456 nan 8.230 nan 0.000 0.411 18 R N 0.577 121.212 120.500 0.226 0.000 2.439 18 R HA 0.665 5.030 4.340 0.041 0.000 0.310 18 R C -0.229 176.171 176.300 0.167 0.000 0.955 18 R CA -0.353 55.870 56.100 0.205 0.000 0.853 18 R CB 1.729 32.089 30.300 0.100 0.000 1.171 18 R HN 0.815 nan 8.270 nan 0.000 0.449 19 G N 3.226 112.102 108.800 0.126 0.000 2.543 19 G HA2 0.412 4.396 3.960 0.041 0.000 0.290 19 G HA3 0.412 4.396 3.960 0.041 0.000 0.290 19 G C -0.904 173.809 174.900 -0.311 0.000 1.310 19 G CA -0.710 44.143 45.100 -0.413 0.000 1.025 19 G HN 0.611 nan 8.290 nan 0.000 0.502 20 I N -0.969 119.352 120.570 -0.415 0.000 2.545 20 I HA 0.519 4.713 4.170 0.041 0.000 0.292 20 I C 0.078 176.040 176.117 -0.257 0.000 1.040 20 I CA -1.151 59.991 61.300 -0.264 0.000 1.068 20 I CB 1.900 39.759 38.000 -0.235 0.000 1.251 20 I HN 0.461 nan 8.210 nan 0.000 0.424 21 R N 7.511 127.899 120.500 -0.186 0.000 2.316 21 R HA 0.496 4.860 4.340 0.041 0.000 0.314 21 R C -1.513 174.677 176.300 -0.183 0.000 1.069 21 R CA -0.218 55.758 56.100 -0.206 0.000 0.959 21 R CB 0.491 30.614 30.300 -0.296 0.000 0.987 21 R HN 0.673 nan 8.270 nan 0.000 0.446 22 L N 3.191 124.325 121.223 -0.148 0.000 2.332 22 L HA 0.458 4.822 4.340 0.041 0.000 0.269 22 L C -0.321 176.477 176.870 -0.119 0.000 1.016 22 L CA -1.162 53.612 54.840 -0.110 0.000 0.809 22 L CB 1.539 43.568 42.059 -0.049 0.000 1.280 22 L HN 0.475 nan 8.230 nan 0.000 0.447 23 K N 1.661 121.996 120.400 -0.107 0.000 2.263 23 K HA 0.654 4.998 4.320 0.041 0.000 0.272 23 K C -0.901 175.629 176.600 -0.116 0.000 1.033 23 K CA -0.149 56.077 56.287 -0.102 0.000 0.884 23 K CB 1.385 33.837 32.500 -0.081 0.000 1.107 23 K HN 0.597 nan 8.250 nan 0.000 0.460 24 A N 5.379 128.129 122.820 -0.117 0.000 2.299 24 A HA 0.580 4.924 4.320 0.041 0.000 0.332 24 A C -1.917 175.647 177.584 -0.033 0.000 1.131 24 A CA -1.798 50.154 52.037 -0.142 0.000 0.844 24 A CB 0.633 19.523 19.000 -0.184 0.000 1.251 24 A HN 0.698 nan 8.150 nan 0.000 0.486 25 P HA -0.086 nan 4.420 nan 0.000 0.218 25 P C 1.343 178.666 177.300 0.038 0.000 1.148 25 P CA 1.971 65.108 63.100 0.062 0.000 0.822 25 P CB 0.193 31.965 31.700 0.119 0.000 0.784 26 G N -2.060 106.764 108.800 0.040 0.000 2.777 26 G HA2 0.415 4.399 3.960 0.041 0.000 0.211 26 G HA3 0.415 4.399 3.960 0.041 0.000 0.211 26 G C 0.609 175.522 174.900 0.022 0.000 1.149 26 G CA 0.566 45.685 45.100 0.032 0.000 0.785 26 G HN 0.614 nan 8.290 nan 0.000 0.536 27 G N -0.659 108.145 108.800 0.007 0.000 2.362 27 G HA2 0.343 4.327 3.960 0.041 0.000 0.288 27 G HA3 0.343 4.327 3.960 0.041 0.000 0.288 27 G C -3.373 171.514 174.900 -0.022 0.000 1.305 27 G CA -0.580 44.520 45.100 -0.000 0.000 0.910 27 G HN 0.070 nan 8.290 nan 0.000 0.518 28 P HA 0.537 nan 4.420 nan 0.000 0.277 28 P C -0.032 177.274 177.300 0.011 0.000 1.240 28 P CA -0.256 62.780 63.100 -0.108 0.000 0.798 28 P CB 1.705 33.203 31.700 -0.338 0.000 0.979 29 V N -1.133 118.786 119.914 0.008 0.000 3.001 29 V HA 0.688 4.833 4.120 0.041 0.000 0.314 29 V C -0.495 175.669 176.094 0.116 0.000 1.099 29 V CA -0.883 61.495 62.300 0.131 0.000 0.989 29 V CB 1.882 33.788 31.823 0.138 0.000 1.040 29 V HN 0.448 nan 8.190 nan 0.000 0.434 30 S N 2.006 117.825 115.700 0.198 0.000 2.462 30 S HA 0.863 5.357 4.470 0.041 0.000 0.294 30 S C -0.005 174.514 174.600 -0.135 0.000 1.144 30 S CA -0.011 58.212 58.200 0.039 0.000 1.088 30 S CB 1.204 64.533 63.200 0.214 0.000 1.009 30 S HN 1.568 nan 8.310 nan 0.000 0.484 31 A N 2.707 125.255 122.820 -0.453 0.000 2.343 31 A HA 0.805 5.150 4.320 0.041 0.000 0.316 31 A C -1.125 175.963 177.584 -0.826 0.000 1.104 31 A CA -0.659 51.011 52.037 -0.612 0.000 0.768 31 A CB 0.410 19.030 19.000 -0.633 0.000 1.213 31 A HN 0.709 nan 8.150 nan 0.000 0.456 32 F N 2.957 122.726 119.950 -0.302 0.000 2.359 32 F HA 0.436 4.987 4.527 0.041 0.000 0.370 32 F C -0.231 175.380 175.800 -0.315 0.000 1.077 32 F CA -0.262 57.641 58.000 -0.162 0.000 1.136 32 F CB 1.061 40.124 39.000 0.106 0.000 1.387 32 F HN 0.332 nan 8.300 nan 0.000 0.468 33 L N 2.045 123.102 121.223 -0.276 0.000 2.325 33 L HA 0.735 5.100 4.340 0.041 0.000 0.278 33 L C 0.851 177.607 176.870 -0.190 0.000 1.023 33 L CA -0.996 53.621 54.840 -0.371 0.000 0.811 33 L CB 1.664 43.306 42.059 -0.694 0.000 1.249 33 L HN 0.786 nan 8.230 nan 0.000 0.431 34 G N 3.241 111.992 108.800 -0.082 0.000 2.248 34 G HA2 -0.231 3.754 3.960 0.041 0.000 0.263 34 G HA3 -0.231 3.754 3.960 0.041 0.000 0.263 34 G C -0.353 174.552 174.900 0.009 0.000 1.082 34 G CA -0.441 44.608 45.100 -0.084 0.000 0.863 34 G HN 0.466 nan 8.290 nan 0.000 0.495 35 I N 1.831 122.459 120.570 0.097 0.000 2.342 35 I HA 0.302 4.496 4.170 0.041 0.000 0.291 35 I C -1.642 174.589 176.117 0.190 0.000 1.010 35 I CA -2.476 58.875 61.300 0.085 0.000 1.308 35 I CB 1.491 39.471 38.000 -0.032 0.000 1.400 35 I HN -0.039 nan 8.210 nan 0.000 0.488 36 P HA 0.068 nan 4.420 nan 0.000 0.276 36 P C -0.197 177.079 177.300 -0.039 0.000 1.235 36 P CA -0.030 62.987 63.100 -0.138 0.000 0.772 36 P CB 0.441 32.080 31.700 -0.102 0.000 0.871 37 F N 1.362 121.186 119.950 -0.210 0.000 2.724 37 F HA 0.699 5.251 4.527 0.041 0.000 0.306 37 F C 0.175 175.987 175.800 0.019 0.000 1.100 37 F CA -0.604 57.339 58.000 -0.095 0.000 1.255 37 F CB 0.104 38.939 39.000 -0.275 0.000 1.072 37 F HN 0.304 nan 8.300 nan 0.000 0.589 38 A N 0.204 122.708 122.820 -0.526 0.000 2.532 38 A HA 0.608 4.952 4.320 0.041 0.000 0.290 38 A C -0.770 176.651 177.584 -0.271 0.000 1.143 38 A CA -0.807 51.044 52.037 -0.310 0.000 0.728 38 A CB 0.896 19.655 19.000 -0.401 0.000 1.317 38 A HN 0.073 nan 8.150 nan 0.000 0.414 39 E N 1.132 121.250 120.200 -0.137 0.000 2.384 39 E HA 0.240 4.614 4.350 0.041 0.000 0.266 39 E C -2.312 174.189 176.600 -0.166 0.000 1.012 39 E CA -1.410 54.925 56.400 -0.107 0.000 0.901 39 E CB -0.043 29.632 29.700 -0.042 0.000 0.967 39 E HN 0.216 nan 8.360 nan 0.000 0.435 40 P HA -0.021 nan 4.420 nan 0.000 0.256 40 P C -2.166 175.067 177.300 -0.112 0.000 1.173 40 P CA -0.610 62.402 63.100 -0.146 0.000 0.768 40 P CB -0.126 31.526 31.700 -0.081 0.000 0.758 41 P HA 0.002 nan 4.420 nan 0.000 0.228 41 P C -0.299 176.940 177.300 -0.102 0.000 1.748 41 P CA 0.146 63.188 63.100 -0.097 0.000 0.909 41 P CB -0.150 31.495 31.700 -0.092 0.000 1.882 42 V N -3.061 116.799 119.914 -0.090 0.000 2.769 42 V HA 0.898 5.043 4.120 0.041 0.000 0.312 42 V C 0.882 176.931 176.094 -0.075 0.000 1.058 42 V CA 0.150 62.396 62.300 -0.091 0.000 0.952 42 V CB 0.945 32.723 31.823 -0.075 0.000 1.019 42 V HN 0.533 nan 8.190 nan 0.000 0.445 43 G N 3.317 112.071 108.800 -0.077 0.000 2.557 43 G HA2 -0.314 3.670 3.960 0.041 0.000 0.292 43 G HA3 -0.314 3.670 3.960 0.041 0.000 0.292 43 G C 1.142 176.007 174.900 -0.058 0.000 1.162 43 G CA 1.280 46.346 45.100 -0.056 0.000 0.964 43 G HN 2.339 nan 8.290 nan 0.000 0.541 44 S N 0.521 116.201 115.700 -0.033 0.000 2.603 44 S HA 0.172 4.667 4.470 0.041 0.000 0.220 44 S C 1.775 176.365 174.600 -0.016 0.000 0.967 44 S CA 1.289 59.481 58.200 -0.014 0.000 0.920 44 S CB 0.103 63.304 63.200 0.001 0.000 0.773 44 S HN 0.583 nan 8.310 nan 0.000 0.529 45 R N 1.108 121.584 120.500 -0.040 0.000 2.334 45 R HA 0.261 4.626 4.340 0.041 0.000 0.216 45 R C 0.654 176.907 176.300 -0.078 0.000 0.905 45 R CA -0.156 55.921 56.100 -0.038 0.000 1.064 45 R CB -0.198 30.079 30.300 -0.039 0.000 1.046 45 R HN 0.470 nan 8.270 nan 0.000 0.508 46 R N 0.700 121.105 120.500 -0.160 0.000 2.570 46 R HA -0.083 4.282 4.340 0.041 0.000 0.277 46 R C -0.198 175.901 176.300 -0.336 0.000 1.039 46 R CA 0.440 56.314 56.100 -0.377 0.000 1.065 46 R CB 0.120 30.051 30.300 -0.615 0.000 0.964 46 R HN 0.050 nan 8.270 nan 0.000 0.428 47 F N -0.608 119.358 119.950 0.026 0.000 2.748 47 F HA -0.286 4.265 4.527 0.041 0.000 0.370 47 F C 0.015 175.810 175.800 -0.009 0.000 0.620 47 F CA 0.512 58.505 58.000 -0.012 0.000 1.233 47 F CB -1.454 37.527 39.000 -0.032 0.000 1.708 47 F HN 0.457 nan 8.300 nan 0.000 0.298 48 M N 1.927 121.597 119.600 0.116 0.000 2.409 48 M HA 0.387 4.892 4.480 0.041 0.000 0.329 48 M C -1.933 174.401 176.300 0.056 0.000 1.180 48 M CA -1.575 53.774 55.300 0.082 0.000 1.053 48 M CB 0.716 33.349 32.600 0.055 0.000 1.586 48 M HN -0.333 nan 8.290 nan 0.000 0.461 49 P HA 0.080 nan 4.420 nan 0.000 0.266 49 P C -2.529 174.803 177.300 0.053 0.000 1.193 49 P CA -0.574 62.564 63.100 0.064 0.000 0.770 49 P CB -0.854 30.893 31.700 0.077 0.000 0.836 50 P HA 0.223 nan 4.420 nan 0.000 0.275 50 P C -0.485 176.849 177.300 0.057 0.000 1.228 50 P CA 0.061 63.187 63.100 0.043 0.000 0.786 50 P CB 0.968 32.712 31.700 0.073 0.000 0.927 51 E N 2.545 122.764 120.200 0.031 0.000 2.207 51 E HA 0.371 4.745 4.350 0.041 0.000 0.270 51 E C -2.194 174.441 176.600 0.058 0.000 0.927 51 E CA -2.459 53.970 56.400 0.049 0.000 0.799 51 E CB 0.840 30.560 29.700 0.034 0.000 1.172 51 E HN 0.390 nan 8.360 nan 0.000 0.404 52 P HA -0.062 nan 4.420 nan 0.000 0.265 52 P C -0.655 176.710 177.300 0.110 0.000 1.193 52 P CA -0.131 63.047 63.100 0.131 0.000 0.765 52 P CB 0.508 32.291 31.700 0.138 0.000 0.823 53 K N 4.301 124.786 120.400 0.143 0.000 2.447 53 K HA 0.025 4.369 4.320 0.041 0.000 0.281 53 K C 0.201 176.909 176.600 0.181 0.000 1.031 53 K CA 0.187 56.563 56.287 0.148 0.000 1.019 53 K CB 0.083 32.706 32.500 0.204 0.000 0.918 53 K HN 0.272 nan 8.250 nan 0.000 0.476 54 R N 5.171 125.758 120.500 0.145 0.000 2.643 54 R HA 0.112 4.477 4.340 0.041 0.000 0.270 54 R C -1.981 174.419 176.300 0.168 0.000 1.061 54 R CA -1.482 54.690 56.100 0.120 0.000 1.107 54 R CB -0.100 30.256 30.300 0.093 0.000 0.999 54 R HN 0.582 nan 8.270 nan 0.000 0.460 55 P HA -0.110 nan 4.420 nan 0.000 0.269 55 P C -1.209 176.116 177.300 0.042 0.000 1.211 55 P CA 0.277 63.298 63.100 -0.132 0.000 0.781 55 P CB 0.323 31.915 31.700 -0.179 0.000 0.877 56 W N 0.405 121.739 121.300 0.057 0.000 2.864 56 W HA 0.665 5.350 4.660 0.041 0.000 0.343 56 W C -0.626 175.919 176.519 0.042 0.000 1.109 56 W CA -1.078 56.298 57.345 0.051 0.000 1.192 56 W CB 0.003 29.502 29.460 0.065 0.000 1.426 56 W HN 0.376 nan 8.180 nan 0.000 0.529 57 S N 2.010 117.870 115.700 0.267 0.000 2.617 57 S HA 0.750 5.244 4.470 0.041 0.000 0.269 57 S C 0.696 175.456 174.600 0.267 0.000 1.292 57 S CA 0.319 58.622 58.200 0.172 0.000 1.010 57 S CB 0.661 63.934 63.200 0.121 0.000 0.944 57 S HN 2.259 nan 8.310 nan 0.000 0.536 58 G N 0.170 109.077 108.800 0.177 0.000 2.601 58 G HA2 -0.171 3.814 3.960 0.041 0.000 0.252 58 G HA3 -0.171 3.814 3.960 0.041 0.000 0.252 58 G C -0.594 174.455 174.900 0.248 0.000 1.294 58 G CA -0.243 44.961 45.100 0.172 0.000 0.912 58 G HN 1.715 nan 8.290 nan 0.000 0.574 59 V N 0.662 120.687 119.914 0.184 0.000 2.347 59 V HA 0.547 4.691 4.120 0.041 0.000 0.280 59 V C 0.518 176.680 176.094 0.113 0.000 1.021 59 V CA -0.440 61.969 62.300 0.182 0.000 0.847 59 V CB 1.195 33.088 31.823 0.117 0.000 0.990 59 V HN 0.812 nan 8.190 nan 0.000 0.444 60 L N 4.133 125.402 121.223 0.077 0.000 2.331 60 L HA 0.381 4.746 4.340 0.041 0.000 0.278 60 L C 0.272 177.099 176.870 -0.072 0.000 1.106 60 L CA 0.264 55.008 54.840 -0.160 0.000 0.824 60 L CB 0.956 42.636 42.059 -0.632 0.000 1.142 60 L HN 0.752 nan 8.230 nan 0.000 0.443 61 D N 3.982 124.329 120.400 -0.088 0.000 2.344 61 D HA 0.362 5.026 4.640 0.041 0.000 0.253 61 D C -0.052 176.198 176.300 -0.084 0.000 1.255 61 D CA 0.231 54.193 54.000 -0.063 0.000 0.894 61 D CB 0.824 41.581 40.800 -0.072 0.000 1.067 61 D HN 0.661 nan 8.370 nan 0.000 0.492 62 A N 3.321 126.121 122.820 -0.033 0.000 3.106 62 A HA 0.211 4.555 4.320 0.041 0.000 0.306 62 A C 1.135 178.644 177.584 -0.126 0.000 1.192 62 A CA -0.391 51.622 52.037 -0.040 0.000 0.994 62 A CB -0.232 18.840 19.000 0.120 0.000 1.107 62 A HN 0.588 nan 8.150 nan 0.000 0.585 63 T N -4.104 110.352 114.554 -0.164 0.000 3.054 63 T HA 0.282 4.657 4.350 0.041 0.000 0.255 63 T C 0.553 175.095 174.700 -0.263 0.000 1.035 63 T CA 0.592 62.563 62.100 -0.216 0.000 0.941 63 T CB 0.190 68.964 68.868 -0.157 0.000 1.026 63 T HN 0.318 nan 8.240 nan 0.000 0.533 64 T N 0.678 115.076 114.554 -0.261 0.000 2.909 64 T HA 0.590 4.965 4.350 0.041 0.000 0.299 64 T C -1.439 173.107 174.700 -0.257 0.000 1.073 64 T CA -0.824 61.120 62.100 -0.260 0.000 0.999 64 T CB 0.679 69.455 68.868 -0.153 0.000 1.098 64 T HN 0.081 nan 8.240 nan 0.000 0.477 65 F N 3.259 123.138 119.950 -0.117 0.000 2.563 65 F HA 0.291 4.842 4.527 0.041 0.000 0.363 65 F C 1.431 177.133 175.800 -0.163 0.000 1.123 65 F CA -0.005 57.928 58.000 -0.111 0.000 1.307 65 F CB 0.559 39.524 39.000 -0.058 0.000 1.115 65 F HN 0.418 nan 8.300 nan 0.000 0.592 66 Q N 1.741 121.555 119.800 0.022 0.000 2.222 66 Q HA 0.187 4.551 4.340 0.041 0.000 0.211 66 Q C -0.079 175.873 176.000 -0.081 0.000 1.013 66 Q CA -0.701 54.980 55.803 -0.203 0.000 0.993 66 Q CB 0.544 28.901 28.738 -0.636 0.000 1.151 66 Q HN 0.519 nan 8.270 nan 0.000 0.544 67 N N -0.188 118.446 118.700 -0.109 0.000 2.374 67 N HA -0.004 4.760 4.740 0.041 0.000 0.241 67 N C -0.512 174.990 175.510 -0.012 0.000 1.262 67 N CA 0.150 53.171 53.050 -0.047 0.000 0.880 67 N CB 0.390 38.859 38.487 -0.030 0.000 1.105 67 N HN 0.180 nan 8.380 nan 0.000 0.438 68 V N 1.841 121.719 119.914 -0.060 0.000 2.546 68 V HA 0.061 4.206 4.120 0.041 0.000 0.284 68 V C 0.675 176.722 176.094 -0.079 0.000 1.050 68 V CA -0.798 61.450 62.300 -0.087 0.000 0.981 68 V CB 0.871 32.602 31.823 -0.153 0.000 0.990 68 V HN 0.723 nan 8.190 nan 0.000 0.474 69 c N 4.297 122.864 118.600 -0.055 0.000 2.641 69 c HA 0.031 4.626 4.570 0.041 0.000 0.412 69 c C 0.521 174.552 174.090 -0.098 0.000 1.312 69 c CA -0.506 55.791 56.329 -0.055 0.000 1.838 69 c CB -0.970 41.534 42.510 -0.010 0.000 2.682 69 c HN 0.749 nan 8.230 nan 0.000 0.627 70 Y N 3.946 124.084 120.300 -0.269 0.000 2.650 70 Y HA 0.255 4.830 4.550 0.041 0.000 0.331 70 Y C 0.799 176.681 175.900 -0.031 0.000 1.165 70 Y CA 0.898 58.829 58.100 -0.281 0.000 1.473 70 Y CB 0.017 38.091 38.460 -0.644 0.000 1.224 70 Y HN 0.737 nan 8.280 nan 0.000 0.533 71 Q N 4.277 124.001 119.800 -0.127 0.000 2.565 71 Q HA 0.256 4.620 4.340 0.041 0.000 0.294 71 Q C -1.736 174.315 176.000 0.085 0.000 1.005 71 Q CA -1.256 54.624 55.803 0.128 0.000 0.771 71 Q CB 1.524 30.302 28.738 0.067 0.000 1.486 71 Q HN 0.661 nan 8.270 nan 0.000 0.422 72 Y N 0.984 121.362 120.300 0.130 0.000 2.511 72 Y HA 0.356 4.930 4.550 0.041 0.000 0.332 72 Y C -0.981 174.933 175.900 0.023 0.000 1.177 72 Y CA 0.065 58.212 58.100 0.077 0.000 1.422 72 Y CB 0.934 39.442 38.460 0.079 0.000 1.271 72 Y HN 0.426 nan 8.280 nan 0.000 0.550 73 V N 6.667 126.173 119.914 -0.681 0.000 2.435 73 V HA 0.110 4.255 4.120 0.041 0.000 0.290 73 V C -0.434 175.172 176.094 -0.813 0.000 1.030 73 V CA -0.932 61.047 62.300 -0.534 0.000 0.881 73 V CB 1.509 33.136 31.823 -0.327 0.000 0.983 73 V HN 0.809 nan 8.190 nan 0.000 0.445 74 D N 2.687 122.877 120.400 -0.349 0.000 2.382 74 D HA 0.290 4.954 4.640 0.041 0.000 0.245 74 D C 0.973 177.247 176.300 -0.043 0.000 1.120 74 D CA 0.582 54.523 54.000 -0.100 0.000 0.890 74 D CB 1.274 42.197 40.800 0.204 0.000 1.201 74 D HN 0.770 nan 8.370 nan 0.000 0.433 75 T N 0.566 115.149 114.554 0.048 0.000 3.058 75 T HA 0.028 4.403 4.350 0.041 0.000 0.278 75 T C 1.480 176.200 174.700 0.034 0.000 0.974 75 T CA -0.418 61.701 62.100 0.032 0.000 0.893 75 T CB -0.099 68.779 68.868 0.016 0.000 1.138 75 T HN 0.264 nan 8.240 nan 0.000 0.529 76 L N 0.750 122.001 121.223 0.047 0.000 2.017 76 L HA 0.208 4.573 4.340 0.041 0.000 0.208 76 L C -0.175 176.434 176.870 -0.434 0.000 1.073 76 L CA 1.578 56.278 54.840 -0.234 0.000 0.745 76 L CB -0.281 41.545 42.059 -0.389 0.000 0.894 76 L HN 0.369 nan 8.230 nan 0.000 0.432 77 Y N -0.214 120.136 120.300 0.085 0.000 2.748 77 Y HA 0.417 4.992 4.550 0.041 0.000 0.359 77 Y C -2.194 173.755 175.900 0.081 0.000 1.030 77 Y CA -3.665 54.456 58.100 0.035 0.000 1.169 77 Y CB -0.315 38.125 38.460 -0.033 0.000 1.127 77 Y HN 0.057 nan 8.280 nan 0.000 0.644 78 P HA 0.088 nan 4.420 nan 0.000 0.260 78 P C 0.970 178.331 177.300 0.102 0.000 1.185 78 P CA 1.307 64.465 63.100 0.097 0.000 0.763 78 P CB 0.600 32.330 31.700 0.050 0.000 0.776 79 G N 2.481 111.326 108.800 0.075 0.000 2.153 79 G HA2 -0.282 3.703 3.960 0.041 0.000 0.252 79 G HA3 -0.282 3.703 3.960 0.041 0.000 0.252 79 G C -0.180 174.755 174.900 0.058 0.000 0.994 79 G CA -0.392 44.730 45.100 0.036 0.000 0.698 79 G HN 0.540 nan 8.290 nan 0.000 0.521 80 F N 1.066 120.973 119.950 -0.072 0.000 2.410 80 F HA 0.665 5.216 4.527 0.040 0.000 0.349 80 F C 1.217 176.907 175.800 -0.184 0.000 1.117 80 F CA -0.920 56.983 58.000 -0.160 0.000 1.104 80 F CB 1.514 40.387 39.000 -0.212 0.000 1.122 80 F HN 0.071 nan 8.300 nan 0.000 0.483 81 E N 3.929 123.638 120.200 -0.818 0.000 2.085 81 E HA -0.071 4.304 4.350 0.041 0.000 0.194 81 E C 2.208 178.314 176.600 -0.824 0.000 0.994 81 E CA 1.970 57.958 56.400 -0.687 0.000 0.801 81 E CB -0.555 28.832 29.700 -0.523 0.000 0.743 81 E HN 0.927 nan 8.360 nan 0.000 0.453 82 G N -0.834 107.037 108.800 -1.547 0.000 2.475 82 G HA2 -0.316 3.669 3.960 0.041 0.000 0.220 82 G HA3 -0.316 3.669 3.960 0.041 0.000 0.220 82 G C 1.681 176.540 174.900 -0.069 0.000 1.125 82 G CA 1.771 46.276 45.100 -0.992 0.000 0.755 82 G HN 0.502 nan 8.290 nan 0.000 0.565 83 T N -2.089 112.424 114.554 -0.068 0.000 3.033 83 T HA 0.137 4.511 4.350 0.041 0.000 0.248 83 T C 1.890 176.750 174.700 0.267 0.000 1.040 83 T CA 0.753 63.137 62.100 0.472 0.000 1.133 83 T CB 0.030 69.254 68.868 0.594 0.000 0.895 83 T HN 0.156 nan 8.240 nan 0.000 0.465 84 E N 2.118 122.325 120.200 0.011 0.000 2.268 84 E HA -0.040 4.334 4.350 0.041 0.000 0.195 84 E C 2.165 178.673 176.600 -0.153 0.000 0.995 84 E CA 1.009 57.379 56.400 -0.050 0.000 0.836 84 E CB -0.422 29.219 29.700 -0.099 0.000 0.763 84 E HN 0.793 nan 8.360 nan 0.000 0.491 85 M N -2.473 116.950 119.600 -0.296 0.000 2.549 85 M HA -0.041 4.464 4.480 0.041 0.000 0.260 85 M C 1.109 177.024 176.300 -0.641 0.000 1.076 85 M CA 1.299 56.281 55.300 -0.531 0.000 1.090 85 M CB -0.402 31.776 32.600 -0.704 0.000 1.418 85 M HN -0.006 nan 8.290 nan 0.000 0.486 86 W N 0.546 121.783 121.300 -0.105 0.000 3.107 86 W HA 0.313 4.997 4.660 0.040 0.000 0.293 86 W C 0.438 176.870 176.519 -0.146 0.000 1.239 86 W CA -0.949 56.318 57.345 -0.129 0.000 1.653 86 W CB -0.037 29.398 29.460 -0.041 0.000 1.068 86 W HN 0.080 nan 8.180 nan 0.000 0.615 87 N N 1.731 120.459 118.700 0.046 0.000 2.444 87 N HA 0.112 4.877 4.740 0.041 0.000 0.255 87 N C -2.438 173.006 175.510 -0.110 0.000 1.255 87 N CA -1.334 51.698 53.050 -0.029 0.000 0.933 87 N CB -0.024 38.441 38.487 -0.038 0.000 1.143 87 N HN -0.338 nan 8.380 nan 0.000 0.453 88 P HA 0.035 nan 4.420 nan 0.000 0.261 88 P C 0.220 177.424 177.300 -0.160 0.000 1.183 88 P CA 0.086 63.085 63.100 -0.169 0.000 0.761 88 P CB 0.236 31.826 31.700 -0.182 0.000 0.785 89 N N 2.729 121.324 118.700 -0.176 0.000 2.214 89 N HA 0.066 4.831 4.740 0.041 0.000 0.214 89 N C 0.177 175.610 175.510 -0.129 0.000 1.132 89 N CA 0.016 52.972 53.050 -0.157 0.000 0.856 89 N CB 0.320 38.697 38.487 -0.183 0.000 1.020 89 N HN 0.138 nan 8.380 nan 0.000 0.509 90 R N 0.042 120.465 120.500 -0.128 0.000 2.885 90 R HA 0.358 4.722 4.340 0.041 0.000 0.260 90 R C -0.220 176.019 176.300 -0.101 0.000 1.107 90 R CA -0.627 55.416 56.100 -0.095 0.000 0.978 90 R CB 0.561 30.814 30.300 -0.079 0.000 1.227 90 R HN 0.130 nan 8.270 nan 0.000 0.473 91 E N 1.477 121.628 120.200 -0.082 0.000 2.392 91 E HA 0.099 4.474 4.350 0.041 0.000 0.264 91 E C -0.057 176.486 176.600 -0.096 0.000 1.024 91 E CA 0.021 56.372 56.400 -0.081 0.000 0.903 91 E CB 0.586 30.252 29.700 -0.056 0.000 0.963 91 E HN 0.255 nan 8.360 nan 0.000 0.432 92 L N 1.712 122.861 121.223 -0.123 0.000 2.349 92 L HA 0.241 4.606 4.340 0.041 0.000 0.275 92 L C 0.630 177.487 176.870 -0.022 0.000 1.115 92 L CA 0.015 54.752 54.840 -0.171 0.000 0.820 92 L CB 0.975 42.769 42.059 -0.441 0.000 1.135 92 L HN 0.367 nan 8.230 nan 0.000 0.445 93 S N 0.686 116.392 115.700 0.010 0.000 2.547 93 S HA 0.228 4.722 4.470 0.041 0.000 0.270 93 S C 0.242 174.834 174.600 -0.012 0.000 1.150 93 S CA -0.653 57.577 58.200 0.050 0.000 0.850 93 S CB 1.606 64.815 63.200 0.015 0.000 1.118 93 S HN 0.739 nan 8.310 nan 0.000 0.461 94 E N 0.905 121.049 120.200 -0.093 0.000 2.274 94 E HA -0.059 4.315 4.350 0.041 0.000 0.194 94 E C -0.273 176.264 176.600 -0.104 0.000 0.996 94 E CA 0.434 56.718 56.400 -0.194 0.000 0.840 94 E CB 0.090 29.622 29.700 -0.280 0.000 0.772 94 E HN 0.531 nan 8.360 nan 0.000 0.491 95 D N 0.629 121.003 120.400 -0.044 0.000 2.416 95 D HA -0.021 4.644 4.640 0.041 0.000 0.240 95 D C 0.059 176.428 176.300 0.114 0.000 1.250 95 D CA -0.199 53.805 54.000 0.007 0.000 0.967 95 D CB 0.024 40.849 40.800 0.041 0.000 1.059 95 D HN 0.162 nan 8.370 nan 0.000 0.512 96 c N 2.708 121.336 118.600 0.046 0.000 3.865 96 c HA 0.377 4.971 4.570 0.041 0.000 0.297 96 c C 0.500 174.635 174.090 0.076 0.000 1.758 96 c CA -0.689 55.729 56.329 0.148 0.000 1.778 96 c CB -1.184 41.361 42.510 0.059 0.000 3.158 96 c HN 0.443 nan 8.230 nan 0.000 0.598 97 L N 2.594 123.597 121.223 -0.368 0.000 2.389 97 L HA 0.462 4.826 4.340 0.041 0.000 0.265 97 L C -1.044 175.197 176.870 -1.050 0.000 1.167 97 L CA 0.357 54.779 54.840 -0.697 0.000 1.045 97 L CB -0.473 41.037 42.059 -0.915 0.000 1.351 97 L HN 0.388 nan 8.230 nan 0.000 0.419 98 Y N 1.837 122.130 120.300 -0.012 0.000 2.553 98 Y HA 0.621 5.195 4.550 0.041 0.000 0.347 98 Y C -0.153 175.942 175.900 0.325 0.000 1.019 98 Y CA -1.236 56.934 58.100 0.117 0.000 1.032 98 Y CB 2.022 40.496 38.460 0.023 0.000 1.284 98 Y HN 0.199 nan 8.280 nan 0.000 0.466 99 L N -0.151 121.261 121.223 0.315 0.000 2.309 99 L HA 0.786 5.150 4.340 0.041 0.000 0.261 99 L C -1.199 175.675 176.870 0.007 0.000 1.021 99 L CA -1.132 53.766 54.840 0.097 0.000 0.823 99 L CB 1.679 43.617 42.059 -0.202 0.000 1.366 99 L HN 0.480 nan 8.230 nan 0.000 0.423 100 N N 0.096 118.796 118.700 0.000 0.000 2.272 100 N HA 0.727 5.492 4.740 0.041 0.000 0.305 100 N C -1.514 173.873 175.510 -0.205 0.000 1.103 100 N CA -0.462 52.489 53.050 -0.166 0.000 0.791 100 N CB 2.880 41.255 38.487 -0.187 0.000 1.356 100 N HN 0.492 nan 8.380 nan 0.000 0.486 101 V N 1.437 121.156 119.914 -0.325 0.000 2.525 101 V HA 0.424 4.568 4.120 0.041 0.000 0.299 101 V C -0.823 175.201 176.094 -0.117 0.000 1.034 101 V CA -0.801 61.412 62.300 -0.145 0.000 0.863 101 V CB 2.052 33.659 31.823 -0.360 0.000 0.999 101 V HN 0.555 nan 8.190 nan 0.000 0.423 102 W N 2.964 124.356 121.300 0.153 0.000 2.520 102 W HA 0.688 5.373 4.660 0.041 0.000 0.323 102 W C 0.257 176.885 176.519 0.182 0.000 1.062 102 W CA -0.428 57.009 57.345 0.152 0.000 1.215 102 W CB 2.399 31.924 29.460 0.109 0.000 1.340 102 W HN 0.637 nan 8.180 nan 0.000 0.516 103 T N -0.037 114.770 114.554 0.421 0.000 2.883 103 T HA 0.527 4.901 4.350 0.041 0.000 0.296 103 T C -2.644 172.227 174.700 0.285 0.000 1.117 103 T CA -2.304 59.999 62.100 0.338 0.000 1.006 103 T CB 2.276 71.367 68.868 0.372 0.000 1.191 103 T HN 0.009 nan 8.240 nan 0.000 0.508 104 P HA 0.154 nan 4.420 nan 0.000 0.270 104 P C -1.450 175.990 177.300 0.234 0.000 1.227 104 P CA -0.154 63.062 63.100 0.194 0.000 0.788 104 P CB 0.197 31.979 31.700 0.137 0.000 0.926 105 Y N 1.988 122.340 120.300 0.088 0.000 2.326 105 Y HA 0.393 4.968 4.550 0.041 0.000 0.329 105 Y C -2.127 173.806 175.900 0.056 0.000 0.973 105 Y CA -2.442 55.703 58.100 0.076 0.000 1.162 105 Y CB 1.325 39.817 38.460 0.053 0.000 1.147 105 Y HN 0.286 nan 8.280 nan 0.000 0.456 106 P HA 0.139 nan 4.420 nan 0.000 0.272 106 P C -1.061 176.177 177.300 -0.104 0.000 1.230 106 P CA -0.477 62.388 63.100 -0.391 0.000 0.788 106 P CB 0.949 32.480 31.700 -0.281 0.000 0.949 107 R N 2.343 122.802 120.500 -0.067 0.000 2.570 107 R HA 0.184 4.548 4.340 0.041 0.000 0.277 107 R C -1.960 174.364 176.300 0.039 0.000 1.039 107 R CA -1.107 55.029 56.100 0.058 0.000 1.065 107 R CB -0.976 29.386 30.300 0.102 0.000 0.964 107 R HN 0.323 nan 8.270 nan 0.000 0.428 108 P HA -0.116 nan 4.420 nan 0.000 0.263 108 P C -0.086 177.231 177.300 0.029 0.000 1.175 108 P CA 0.561 63.692 63.100 0.051 0.000 0.761 108 P CB 0.760 32.502 31.700 0.069 0.000 0.794 109 A N 3.329 126.159 122.820 0.017 0.000 1.898 109 A HA -0.044 4.301 4.320 0.041 0.000 0.216 109 A C 1.130 178.719 177.584 0.008 0.000 1.181 109 A CA 1.644 53.684 52.037 0.006 0.000 0.620 109 A CB -0.770 18.232 19.000 0.003 0.000 0.819 109 A HN 0.697 nan 8.150 nan 0.000 0.442 110 S N -1.256 114.452 115.700 0.012 0.000 2.648 110 S HA 0.627 5.121 4.470 0.041 0.000 0.305 110 S C -3.139 171.471 174.600 0.017 0.000 1.094 110 S CA -1.947 56.259 58.200 0.009 0.000 0.983 110 S CB 1.049 64.251 63.200 0.004 0.000 1.101 110 S HN 0.007 nan 8.310 nan 0.000 0.514 111 P HA 0.183 nan 4.420 nan 0.000 0.261 111 P C -0.728 176.584 177.300 0.020 0.000 1.183 111 P CA 0.407 63.519 63.100 0.019 0.000 0.761 111 P CB 0.116 31.819 31.700 0.005 0.000 0.785 112 T N 5.679 120.256 114.554 0.039 0.000 2.807 112 T HA 0.406 4.780 4.350 0.041 0.000 0.279 112 T C -2.455 172.268 174.700 0.039 0.000 0.993 112 T CA -1.832 60.292 62.100 0.039 0.000 0.970 112 T CB 0.990 69.895 68.868 0.062 0.000 0.950 112 T HN 0.128 nan 8.240 nan 0.000 0.441 113 P HA 0.077 nan 4.420 nan 0.000 0.264 113 P C -0.873 176.457 177.300 0.050 0.000 1.179 113 P CA -0.117 62.990 63.100 0.012 0.000 0.763 113 P CB 0.369 32.058 31.700 -0.019 0.000 0.806 114 V N 5.166 125.124 119.914 0.074 0.000 2.435 114 V HA 0.321 4.466 4.120 0.041 0.000 0.290 114 V C 0.325 176.495 176.094 0.127 0.000 1.030 114 V CA -0.451 61.919 62.300 0.118 0.000 0.881 114 V CB 1.264 33.173 31.823 0.144 0.000 0.983 114 V HN 0.354 nan 8.190 nan 0.000 0.445 115 L N 5.851 127.163 121.223 0.148 0.000 2.305 115 L HA 0.579 4.944 4.340 0.041 0.000 0.284 115 L C -0.593 176.519 176.870 0.405 0.000 1.013 115 L CA -0.191 54.751 54.840 0.170 0.000 0.819 115 L CB 1.525 43.543 42.059 -0.069 0.000 1.227 115 L HN 0.500 nan 8.230 nan 0.000 0.417 116 I N 3.361 124.209 120.570 0.464 0.000 2.330 116 I HA 0.199 4.393 4.170 0.041 0.000 0.289 116 I C -0.660 175.772 176.117 0.525 0.000 1.001 116 I CA -0.417 61.135 61.300 0.420 0.000 1.193 116 I CB 1.240 39.359 38.000 0.197 0.000 1.345 116 I HN 0.633 nan 8.210 nan 0.000 0.461 117 W N 8.776 130.216 121.300 0.233 0.000 2.390 117 W HA 0.553 5.237 4.660 0.040 0.000 0.312 117 W C -1.540 174.889 176.519 -0.149 0.000 1.123 117 W CA -0.647 56.597 57.345 -0.168 0.000 1.202 117 W CB 1.257 30.636 29.460 -0.135 0.000 1.251 117 W HN 0.353 nan 8.180 nan 0.000 0.511 118 I N 9.407 129.311 120.570 -1.111 0.000 2.437 118 I HA 0.060 4.255 4.170 0.041 0.000 0.279 118 I C -0.192 175.140 176.117 -1.308 0.000 1.028 118 I CA -1.104 59.633 61.300 -0.939 0.000 1.142 118 I CB 0.461 38.084 38.000 -0.627 0.000 1.266 118 I HN 0.300 nan 8.210 nan 0.000 0.461 119 Y N 4.348 124.140 120.300 -0.846 0.000 2.607 119 Y HA 0.533 5.107 4.550 0.041 0.000 0.348 119 Y C 0.879 176.608 175.900 -0.285 0.000 1.261 119 Y CA -0.582 57.198 58.100 -0.534 0.000 1.480 119 Y CB -0.159 38.209 38.460 -0.154 0.000 1.358 119 Y HN 0.515 nan 8.280 nan 0.000 0.630 120 G N -0.778 108.039 108.800 0.027 0.000 2.606 120 G HA2 0.485 4.470 3.960 0.041 0.000 0.262 120 G HA3 0.485 4.470 3.960 0.041 0.000 0.262 120 G C 0.419 175.252 174.900 -0.110 0.000 1.394 120 G CA -0.895 44.139 45.100 -0.111 0.000 1.044 120 G HN 1.744 nan 8.290 nan 0.000 0.553 121 G N -3.004 105.558 108.800 -0.397 0.000 2.174 121 G HA2 0.393 4.377 3.960 0.041 0.000 0.140 121 G HA3 0.393 4.377 3.960 0.041 0.000 0.140 121 G C 1.089 175.424 174.900 -0.941 0.000 1.031 121 G CA 0.753 45.479 45.100 -0.623 0.000 0.728 121 G HN 2.354 nan 8.290 nan 0.000 0.496 122 G N -0.524 107.730 108.800 -0.909 0.000 2.179 122 G HA2 -0.113 3.871 3.960 0.041 0.000 0.257 122 G HA3 -0.113 3.871 3.960 0.041 0.000 0.257 122 G C 0.908 175.507 174.900 -0.502 0.000 1.010 122 G CA 0.781 45.095 45.100 -1.311 0.000 0.736 122 G HN 1.733 nan 8.290 nan 0.000 0.513 123 F N -3.421 116.407 119.950 -0.202 0.000 2.825 123 F HA -0.334 4.217 4.527 0.041 0.000 0.358 123 F C 1.535 177.497 175.800 0.269 0.000 0.639 123 F CA 2.297 60.340 58.000 0.071 0.000 1.153 123 F CB -2.037 36.880 39.000 -0.139 0.000 1.610 123 F HN 0.896 nan 8.300 nan 0.000 0.305 124 Y N -0.779 119.660 120.300 0.232 0.000 2.445 124 Y HA 0.642 5.216 4.550 0.040 0.000 0.247 124 Y C 0.698 176.700 175.900 0.169 0.000 1.129 124 Y CA 0.323 58.592 58.100 0.283 0.000 1.251 124 Y CB 0.027 38.667 38.460 0.300 0.000 1.176 124 Y HN 0.094 nan 8.280 nan 0.000 0.522 125 S N -0.928 114.510 115.700 -0.437 0.000 2.727 125 S HA 0.869 5.363 4.470 0.041 0.000 0.278 125 S C -0.137 174.248 174.600 -0.357 0.000 1.186 125 S CA -0.491 57.472 58.200 -0.394 0.000 0.836 125 S CB 1.449 64.292 63.200 -0.595 0.000 1.186 125 S HN 1.356 nan 8.310 nan 0.000 0.499 126 G N -0.611 107.949 108.800 -0.399 0.000 2.479 126 G HA2 0.541 4.526 3.960 0.041 0.000 0.686 126 G HA3 0.541 4.526 3.960 0.041 0.000 0.686 126 G C -0.589 173.697 174.900 -1.022 0.000 1.295 126 G CA -0.303 44.394 45.100 -0.673 0.000 0.922 126 G HN 2.355 nan 8.290 nan 0.000 0.582 127 A N -1.423 120.626 122.820 -1.284 0.000 2.590 127 A HA 0.959 5.303 4.320 0.041 0.000 0.296 127 A C 0.487 177.909 177.584 -0.270 0.000 1.050 127 A CA 0.790 52.388 52.037 -0.732 0.000 0.697 127 A CB 0.674 19.458 19.000 -0.360 0.000 1.277 127 A HN 2.609 nan 8.150 nan 0.000 0.411 128 A N 0.517 123.399 122.820 0.103 0.000 2.235 128 A HA 0.294 4.638 4.320 0.041 0.000 0.208 128 A C 1.630 179.245 177.584 0.052 0.000 1.172 128 A CA 1.729 53.968 52.037 0.337 0.000 0.786 128 A CB -0.588 18.673 19.000 0.435 0.000 0.804 128 A HN 1.822 nan 8.150 nan 0.000 0.479 129 S N -0.575 114.909 115.700 -0.362 0.000 2.575 129 S HA 0.309 4.804 4.470 0.041 0.000 0.215 129 S C 0.489 174.696 174.600 -0.655 0.000 0.966 129 S CA -0.434 57.099 58.200 -1.111 0.000 0.911 129 S CB -0.517 61.992 63.200 -1.152 0.000 0.780 129 S HN 0.386 nan 8.310 nan 0.000 0.514 130 L N 2.525 123.518 121.223 -0.383 0.000 2.485 130 L HA 0.150 4.514 4.340 0.041 0.000 0.275 130 L C 1.078 177.640 176.870 -0.514 0.000 1.207 130 L CA -0.501 54.050 54.840 -0.482 0.000 0.855 130 L CB 0.218 41.881 42.059 -0.661 0.000 1.114 130 L HN 0.053 nan 8.230 nan 0.000 0.485 131 D N 1.355 121.493 120.400 -0.437 0.000 2.158 131 D HA -0.163 4.502 4.640 0.041 0.000 0.197 131 D C 2.005 178.032 176.300 -0.456 0.000 0.995 131 D CA 1.460 55.257 54.000 -0.339 0.000 0.846 131 D CB -0.130 40.505 40.800 -0.275 0.000 0.941 131 D HN 0.544 nan 8.370 nan 0.000 0.456 132 V N -1.342 118.145 119.914 -0.712 0.000 3.078 132 V HA -0.175 3.970 4.120 0.041 0.000 0.265 132 V C 1.142 176.626 176.094 -1.016 0.000 1.122 132 V CA 1.087 62.915 62.300 -0.786 0.000 1.141 132 V CB -1.226 30.084 31.823 -0.855 0.000 0.735 132 V HN 0.084 nan 8.190 nan 0.000 0.498 133 Y N 0.109 119.861 120.300 -0.914 0.000 2.571 133 Y HA 0.442 5.016 4.550 0.041 0.000 0.275 133 Y C 0.898 176.251 175.900 -0.912 0.000 1.179 133 Y CA -1.924 55.266 58.100 -1.518 0.000 1.242 133 Y CB -0.817 37.060 38.460 -0.972 0.000 1.126 133 Y HN 0.218 nan 8.280 nan 0.000 0.524 134 D N 0.964 121.108 120.400 -0.427 0.000 2.412 134 D HA 0.011 4.675 4.640 0.041 0.000 0.257 134 D C 1.344 177.370 176.300 -0.457 0.000 1.217 134 D CA 0.604 54.414 54.000 -0.317 0.000 0.897 134 D CB 1.359 42.106 40.800 -0.087 0.000 1.132 134 D HN 0.491 nan 8.370 nan 0.000 0.493 135 G N 4.214 112.155 108.800 -1.431 0.000 2.985 135 G HA2 -0.152 3.832 3.960 0.041 0.000 0.209 135 G HA3 -0.152 3.832 3.960 0.041 0.000 0.209 135 G C 1.539 175.887 174.900 -0.921 0.000 1.165 135 G CA 0.021 44.407 45.100 -1.190 0.000 0.776 135 G HN 0.591 nan 8.290 nan 0.000 0.541 136 R N -0.254 119.639 120.500 -1.012 0.000 2.096 136 R HA -0.042 4.322 4.340 0.041 0.000 0.235 136 R C 1.728 177.761 176.300 -0.445 0.000 1.127 136 R CA 1.175 56.904 56.100 -0.618 0.000 0.968 136 R CB -0.816 29.138 30.300 -0.577 0.000 0.861 136 R HN 0.318 nan 8.270 nan 0.000 0.440 137 F N 1.800 121.653 119.950 -0.162 0.000 2.084 137 F HA -0.011 4.541 4.527 0.042 0.000 0.296 137 F C 2.533 178.274 175.800 -0.097 0.000 1.111 137 F CA 0.947 58.881 58.000 -0.110 0.000 1.224 137 F CB -0.729 38.198 39.000 -0.122 0.000 0.991 137 F HN -0.144 nan 8.300 nan 0.000 0.471 138 L N -0.186 121.073 121.223 0.059 0.000 2.079 138 L HA -0.261 4.103 4.340 0.041 0.000 0.210 138 L C 2.679 179.556 176.870 0.012 0.000 1.081 138 L CA 1.195 56.027 54.840 -0.014 0.000 0.752 138 L CB -0.903 41.100 42.059 -0.093 0.000 0.896 138 L HN 0.219 nan 8.230 nan 0.000 0.433 139 A N -1.128 121.704 122.820 0.019 0.000 1.855 139 A HA -0.222 4.123 4.320 0.041 0.000 0.215 139 A C 2.272 179.897 177.584 0.069 0.000 1.191 139 A CA 1.376 53.461 52.037 0.080 0.000 0.613 139 A CB -0.477 18.615 19.000 0.152 0.000 0.829 139 A HN 0.366 nan 8.150 nan 0.000 0.442 140 Q N -0.104 119.718 119.800 0.037 0.000 2.049 140 Q HA -0.073 4.292 4.340 0.041 0.000 0.198 140 Q C 2.189 178.218 176.000 0.048 0.000 0.971 140 Q CA 1.926 57.755 55.803 0.043 0.000 0.833 140 Q CB -0.210 28.535 28.738 0.011 0.000 0.896 140 Q HN 0.418 nan 8.270 nan 0.000 0.434 141 V N 1.090 121.032 119.914 0.048 0.000 2.346 141 V HA -0.115 4.030 4.120 0.041 0.000 0.244 141 V C 1.886 177.995 176.094 0.024 0.000 1.037 141 V CA 1.534 63.857 62.300 0.038 0.000 1.029 141 V CB -0.206 31.640 31.823 0.039 0.000 0.663 141 V HN 0.212 nan 8.190 nan 0.000 0.454 142 E N -0.316 119.896 120.200 0.021 0.000 2.472 142 E HA 0.175 4.550 4.350 0.041 0.000 0.196 142 E C 1.800 178.415 176.600 0.025 0.000 1.033 142 E CA 0.778 57.186 56.400 0.013 0.000 0.886 142 E CB 0.515 30.213 29.700 -0.003 0.000 0.944 142 E HN 0.615 nan 8.360 nan 0.000 0.492 143 G N 1.413 110.238 108.800 0.042 0.000 2.162 143 G HA2 -0.324 3.661 3.960 0.041 0.000 0.260 143 G HA3 -0.324 3.661 3.960 0.041 0.000 0.260 143 G C 0.592 175.533 174.900 0.067 0.000 0.976 143 G CA 0.343 45.476 45.100 0.056 0.000 0.655 143 G HN 0.510 nan 8.290 nan 0.000 0.533 144 A N -0.440 122.417 122.820 0.061 0.000 2.483 144 A HA 0.587 4.932 4.320 0.041 0.000 0.238 144 A C 0.673 178.333 177.584 0.127 0.000 1.070 144 A CA 0.510 52.590 52.037 0.072 0.000 0.770 144 A CB 0.807 19.831 19.000 0.040 0.000 1.008 144 A HN 1.156 nan 8.150 nan 0.000 0.497 145 V N 3.603 123.601 119.914 0.140 0.000 2.385 145 V HA 0.298 4.442 4.120 0.041 0.000 0.269 145 V C 0.054 176.277 176.094 0.215 0.000 1.043 145 V CA 0.005 62.419 62.300 0.190 0.000 0.906 145 V CB 0.633 32.559 31.823 0.171 0.000 0.995 145 V HN 0.711 nan 8.190 nan 0.000 0.467 146 L N 6.499 127.905 121.223 0.305 0.000 2.322 146 L HA 0.726 5.090 4.340 0.041 0.000 0.281 146 L C -0.694 176.466 176.870 0.483 0.000 1.014 146 L CA -0.234 54.840 54.840 0.389 0.000 0.815 146 L CB 1.780 44.071 42.059 0.386 0.000 1.247 146 L HN 0.433 nan 8.230 nan 0.000 0.421 147 V N 2.794 122.970 119.914 0.437 0.000 2.769 147 V HA 0.759 4.903 4.120 0.041 0.000 0.312 147 V C -0.551 175.804 176.094 0.436 0.000 1.061 147 V CA -0.487 62.024 62.300 0.352 0.000 0.931 147 V CB 2.008 33.959 31.823 0.213 0.000 1.010 147 V HN 0.838 nan 8.190 nan 0.000 0.433 148 S N 4.403 120.330 115.700 0.378 0.000 2.543 148 S HA 0.807 5.301 4.470 0.041 0.000 0.271 148 S C -0.953 173.791 174.600 0.240 0.000 1.148 148 S CA -0.848 57.583 58.200 0.385 0.000 0.914 148 S CB 2.087 65.651 63.200 0.607 0.000 1.096 148 S HN 0.918 nan 8.310 nan 0.000 0.471 149 M N 1.411 121.108 119.600 0.161 0.000 2.598 149 M HA 0.659 5.163 4.480 0.041 0.000 0.317 149 M C -1.485 175.013 176.300 0.331 0.000 1.179 149 M CA -0.534 54.854 55.300 0.147 0.000 0.936 149 M CB 0.956 33.461 32.600 -0.159 0.000 1.713 149 M HN 0.542 nan 8.290 nan 0.000 0.460 150 N N 2.655 121.619 118.700 0.440 0.000 2.529 150 N HA 0.523 5.288 4.740 0.041 0.000 0.278 150 N C -1.327 174.460 175.510 0.461 0.000 1.146 150 N CA 0.110 53.434 53.050 0.456 0.000 0.980 150 N CB 0.451 39.144 38.487 0.343 0.000 1.124 150 N HN 0.714 nan 8.380 nan 0.000 0.458 151 Y N -1.730 118.725 120.300 0.258 0.000 2.545 151 Y HA 0.570 5.145 4.550 0.041 0.000 0.348 151 Y C -0.024 176.001 175.900 0.208 0.000 1.002 151 Y CA -1.363 56.852 58.100 0.192 0.000 1.039 151 Y CB 0.919 39.429 38.460 0.083 0.000 1.271 151 Y HN 0.201 nan 8.280 nan 0.000 0.467 152 R N 2.008 122.635 120.500 0.211 0.000 2.489 152 R HA 0.441 4.805 4.340 0.041 0.000 0.287 152 R C -0.263 176.149 176.300 0.187 0.000 1.053 152 R CA -0.150 56.027 56.100 0.127 0.000 1.036 152 R CB 0.652 31.004 30.300 0.086 0.000 0.966 152 R HN 0.717 nan 8.270 nan 0.000 0.432 153 V N 0.337 120.400 119.914 0.249 0.000 3.177 153 V HA 0.877 5.022 4.120 0.041 0.000 0.319 153 V C 0.842 177.264 176.094 0.547 0.000 1.125 153 V CA -0.121 62.440 62.300 0.434 0.000 1.029 153 V CB 1.175 33.156 31.823 0.264 0.000 1.119 153 V HN 0.969 nan 8.190 nan 0.000 0.452 154 G N 1.723 110.916 108.800 0.655 0.000 2.575 154 G HA2 -0.290 3.694 3.960 0.041 0.000 0.267 154 G HA3 -0.290 3.694 3.960 0.041 0.000 0.267 154 G C 1.007 176.138 174.900 0.385 0.000 1.264 154 G CA 1.392 46.850 45.100 0.596 0.000 0.935 154 G HN 2.369 nan 8.290 nan 0.000 0.568 155 T N -1.851 112.671 114.554 -0.053 0.000 2.737 155 T HA -0.135 4.240 4.350 0.041 0.000 0.269 155 T C 2.099 176.713 174.700 -0.144 0.000 1.040 155 T CA 2.667 64.459 62.100 -0.513 0.000 1.142 155 T CB -0.410 67.980 68.868 -0.797 0.000 0.861 155 T HN 0.631 nan 8.240 nan 0.000 0.456 156 F N 1.889 121.944 119.950 0.174 0.000 2.293 156 F HA 0.287 4.838 4.527 0.041 0.000 0.300 156 F C 2.696 178.522 175.800 0.043 0.000 1.086 156 F CA 0.609 58.665 58.000 0.093 0.000 1.375 156 F CB -0.742 38.265 39.000 0.012 0.000 1.045 156 F HN 0.373 nan 8.300 nan 0.000 0.516 157 G N -1.730 107.155 108.800 0.140 0.000 2.608 157 G HA2 0.024 4.008 3.960 0.041 0.000 0.210 157 G HA3 0.024 4.008 3.960 0.041 0.000 0.210 157 G C 0.925 175.401 174.900 -0.708 0.000 1.139 157 G CA 0.222 45.118 45.100 -0.341 0.000 0.812 157 G HN 0.327 nan 8.290 nan 0.000 0.529 158 F N -0.412 119.660 119.950 0.203 0.000 2.856 158 F HA 0.445 4.997 4.527 0.041 0.000 0.338 158 F C 0.534 176.427 175.800 0.155 0.000 1.100 158 F CA -0.962 57.132 58.000 0.156 0.000 1.150 158 F CB 0.349 39.445 39.000 0.160 0.000 1.101 158 F HN -0.098 nan 8.300 nan 0.000 0.548 159 L N 2.313 123.601 121.223 0.109 0.000 2.615 159 L HA 0.435 4.799 4.340 0.041 0.000 0.271 159 L C 0.016 176.838 176.870 -0.079 0.000 1.183 159 L CA -0.014 54.764 54.840 -0.103 0.000 0.933 159 L CB 0.157 41.833 42.059 -0.639 0.000 1.199 159 L HN 0.137 nan 8.230 nan 0.000 0.487 160 A N 6.727 129.557 122.820 0.018 0.000 2.356 160 A HA 0.639 4.984 4.320 0.041 0.000 0.310 160 A C -0.906 176.660 177.584 -0.030 0.000 1.075 160 A CA -0.599 51.437 52.037 -0.002 0.000 0.746 160 A CB 1.160 20.191 19.000 0.053 0.000 1.221 160 A HN 0.714 nan 8.150 nan 0.000 0.443 161 L N 3.705 124.895 121.223 -0.054 0.000 2.371 161 L HA 0.300 4.664 4.340 0.041 0.000 0.262 161 L C -2.434 174.427 176.870 -0.015 0.000 1.054 161 L CA -1.882 52.935 54.840 -0.039 0.000 0.924 161 L CB 1.382 43.406 42.059 -0.058 0.000 1.295 161 L HN 0.423 nan 8.230 nan 0.000 0.441 162 P HA 0.023 nan 4.420 nan 0.000 0.261 162 P C 0.929 178.232 177.300 0.005 0.000 1.183 162 P CA 0.797 63.901 63.100 0.005 0.000 0.761 162 P CB 0.789 32.492 31.700 0.004 0.000 0.785 163 G N 1.835 110.642 108.800 0.012 0.000 2.175 163 G HA2 -0.217 3.767 3.960 0.041 0.000 0.244 163 G HA3 -0.217 3.767 3.960 0.041 0.000 0.244 163 G C 0.293 175.200 174.900 0.012 0.000 0.982 163 G CA 0.200 45.307 45.100 0.012 0.000 0.641 163 G HN 0.779 nan 8.290 nan 0.000 0.527 164 S N -0.624 115.082 115.700 0.010 0.000 2.616 164 S HA 0.674 5.168 4.470 0.041 0.000 0.277 164 S C 1.172 175.785 174.600 0.022 0.000 1.234 164 S CA 0.144 58.350 58.200 0.011 0.000 1.028 164 S CB 2.193 65.394 63.200 0.001 0.000 0.988 164 S HN 0.357 nan 8.310 nan 0.000 0.522 165 R N 0.709 121.224 120.500 0.025 0.000 2.119 165 R HA -0.032 4.332 4.340 0.041 0.000 0.222 165 R C 1.307 177.633 176.300 0.043 0.000 1.088 165 R CA 1.384 57.504 56.100 0.033 0.000 0.984 165 R CB -0.073 30.245 30.300 0.030 0.000 0.884 165 R HN 0.922 nan 8.270 nan 0.000 0.447 166 E N -1.032 119.194 120.200 0.045 0.000 2.481 166 E HA 0.081 4.455 4.350 0.041 0.000 0.198 166 E C -0.352 176.304 176.600 0.093 0.000 1.027 166 E CA 0.194 56.636 56.400 0.070 0.000 0.900 166 E CB 1.049 30.793 29.700 0.074 0.000 0.993 166 E HN 0.177 nan 8.360 nan 0.000 0.482 167 A N 2.660 125.507 122.820 0.045 0.000 3.409 167 A HA 0.343 4.687 4.320 0.041 0.000 0.282 167 A C -2.132 175.459 177.584 0.012 0.000 1.064 167 A CA -0.920 51.129 52.037 0.019 0.000 0.889 167 A CB 0.833 19.756 19.000 -0.129 0.000 1.251 167 A HN -0.064 nan 8.150 nan 0.000 0.538 168 P HA 0.112 nan 4.420 nan 0.000 0.230 168 P C 0.910 178.235 177.300 0.041 0.000 1.158 168 P CA 1.757 64.881 63.100 0.040 0.000 0.769 168 P CB 0.093 31.825 31.700 0.054 0.000 0.807 169 G N 0.945 109.769 108.800 0.041 0.000 2.730 169 G HA2 -0.188 3.796 3.960 0.041 0.000 0.686 169 G HA3 -0.188 3.796 3.960 0.041 0.000 0.686 169 G C -0.093 174.828 174.900 0.034 0.000 1.343 169 G CA -0.294 44.837 45.100 0.051 0.000 0.826 169 G HN 0.168 nan 8.290 nan 0.000 0.582 170 N N -2.380 116.346 118.700 0.043 0.000 2.782 170 N HA -0.271 4.494 4.740 0.041 0.000 0.251 170 N C 1.787 177.197 175.510 -0.167 0.000 1.101 170 N CA 2.315 55.337 53.050 -0.047 0.000 0.764 170 N CB -1.687 36.691 38.487 -0.181 0.000 1.122 170 N HN 1.912 nan 8.380 nan 0.000 0.561 171 V N -2.584 117.222 119.914 -0.181 0.000 2.515 171 V HA 0.048 4.193 4.120 0.041 0.000 0.250 171 V C 2.308 178.297 176.094 -0.174 0.000 1.058 171 V CA 2.249 64.476 62.300 -0.121 0.000 1.064 171 V CB -0.850 30.951 31.823 -0.037 0.000 0.675 171 V HN 0.255 nan 8.190 nan 0.000 0.461 172 G N 0.384 108.894 108.800 -0.483 0.000 2.448 172 G HA2 -0.127 3.857 3.960 0.041 0.000 0.219 172 G HA3 -0.127 3.857 3.960 0.041 0.000 0.219 172 G C 1.520 176.417 174.900 -0.005 0.000 1.127 172 G CA 1.186 46.123 45.100 -0.271 0.000 0.766 172 G HN 0.559 nan 8.290 nan 0.000 0.552 173 L N -0.341 120.833 121.223 -0.082 0.000 2.209 173 L HA 0.176 4.541 4.340 0.041 0.000 0.207 173 L C 2.696 179.599 176.870 0.055 0.000 1.094 173 L CA 0.150 54.912 54.840 -0.129 0.000 0.790 173 L CB -0.244 41.437 42.059 -0.631 0.000 0.932 173 L HN 0.149 nan 8.230 nan 0.000 0.447 174 L N -0.426 120.834 121.223 0.062 0.000 2.141 174 L HA -0.194 4.170 4.340 0.041 0.000 0.209 174 L C 2.109 179.105 176.870 0.211 0.000 1.094 174 L CA 0.806 55.771 54.840 0.209 0.000 0.763 174 L CB -0.639 41.525 42.059 0.174 0.000 0.908 174 L HN 0.256 nan 8.230 nan 0.000 0.437 175 D N 0.087 120.602 120.400 0.191 0.000 2.104 175 D HA -0.206 4.459 4.640 0.041 0.000 0.194 175 D C 2.302 178.755 176.300 0.255 0.000 0.994 175 D CA 1.248 55.438 54.000 0.317 0.000 0.830 175 D CB -0.191 40.810 40.800 0.336 0.000 0.959 175 D HN 0.411 nan 8.370 nan 0.000 0.452 176 Q N 0.144 120.019 119.800 0.125 0.000 2.020 176 Q HA -0.138 4.227 4.340 0.041 0.000 0.202 176 Q C 2.311 178.291 176.000 -0.033 0.000 0.982 176 Q CA 1.152 56.944 55.803 -0.019 0.000 0.838 176 Q CB -0.100 28.635 28.738 -0.004 0.000 0.899 176 Q HN 0.191 nan 8.270 nan 0.000 0.423 177 R N 0.584 121.177 120.500 0.154 0.000 2.083 177 R HA -0.206 4.158 4.340 0.041 0.000 0.237 177 R C 2.232 178.589 176.300 0.095 0.000 1.137 177 R CA 1.284 57.467 56.100 0.138 0.000 0.951 177 R CB -0.330 30.162 30.300 0.320 0.000 0.851 177 R HN 0.229 nan 8.270 nan 0.000 0.434 178 L N 0.749 122.063 121.223 0.152 0.000 2.042 178 L HA -0.114 4.251 4.340 0.041 0.000 0.210 178 L C 2.308 179.227 176.870 0.082 0.000 1.076 178 L CA 2.222 57.179 54.840 0.196 0.000 0.749 178 L CB -0.701 41.567 42.059 0.349 0.000 0.893 178 L HN 0.299 nan 8.230 nan 0.000 0.432 179 A N -1.171 121.484 122.820 -0.275 0.000 1.933 179 A HA -0.146 4.199 4.320 0.041 0.000 0.218 179 A C 2.108 179.637 177.584 -0.092 0.000 1.175 179 A CA 1.647 53.358 52.037 -0.542 0.000 0.628 179 A CB -0.724 17.693 19.000 -0.972 0.000 0.814 179 A HN 0.406 nan 8.150 nan 0.000 0.444 180 L N -0.336 120.843 121.223 -0.073 0.000 2.017 180 L HA -0.202 4.163 4.340 0.041 0.000 0.208 180 L C 2.651 179.575 176.870 0.088 0.000 1.073 180 L CA 2.085 56.924 54.840 -0.001 0.000 0.745 180 L CB -1.127 40.885 42.059 -0.079 0.000 0.894 180 L HN 0.469 nan 8.230 nan 0.000 0.432 181 Q N -2.298 117.564 119.800 0.104 0.000 2.084 181 Q HA -0.276 4.088 4.340 0.041 0.000 0.202 181 Q C 2.132 178.225 176.000 0.155 0.000 0.978 181 Q CA 2.011 57.886 55.803 0.120 0.000 0.844 181 Q CB -0.403 28.412 28.738 0.127 0.000 0.898 181 Q HN 0.587 nan 8.270 nan 0.000 0.426 182 W N 0.174 121.497 121.300 0.038 0.000 2.335 182 W HA -0.252 4.432 4.660 0.041 0.000 0.311 182 W C 1.853 178.412 176.519 0.067 0.000 1.213 182 W CA 1.446 58.833 57.345 0.071 0.000 1.274 182 W CB -0.207 29.299 29.460 0.078 0.000 1.148 182 W HN -0.123 nan 8.180 nan 0.000 0.498 183 V N 0.847 121.014 119.914 0.422 0.000 2.287 183 V HA -0.365 3.779 4.120 0.041 0.000 0.248 183 V C 2.565 178.701 176.094 0.070 0.000 1.053 183 V CA 2.127 64.589 62.300 0.269 0.000 1.027 183 V CB -1.054 30.923 31.823 0.256 0.000 0.646 183 V HN 0.222 nan 8.190 nan 0.000 0.447 184 Q N -0.039 119.798 119.800 0.062 0.000 2.061 184 Q HA -0.236 4.128 4.340 0.041 0.000 0.204 184 Q C 2.224 178.201 176.000 -0.037 0.000 0.984 184 Q CA 1.909 57.730 55.803 0.029 0.000 0.846 184 Q CB -0.339 28.420 28.738 0.035 0.000 0.902 184 Q HN 0.738 nan 8.270 nan 0.000 0.421 185 E N -0.332 119.809 120.200 -0.099 0.000 2.216 185 E HA -0.034 4.340 4.350 0.041 0.000 0.192 185 E C 1.241 177.687 176.600 -0.257 0.000 0.988 185 E CA 0.499 56.801 56.400 -0.163 0.000 0.834 185 E CB 0.211 29.808 29.700 -0.173 0.000 0.772 185 E HN 0.308 nan 8.360 nan 0.000 0.479 186 N N -0.338 118.128 118.700 -0.389 0.000 2.193 186 N HA 0.039 4.803 4.740 0.041 0.000 0.210 186 N C 1.264 176.680 175.510 -0.156 0.000 1.215 186 N CA 0.061 52.814 53.050 -0.494 0.000 0.901 186 N CB 0.646 38.346 38.487 -1.312 0.000 1.060 186 N HN 0.049 nan 8.380 nan 0.000 0.508 187 I N 2.194 122.747 120.570 -0.028 0.000 2.617 187 I HA 0.021 4.216 4.170 0.041 0.000 0.256 187 I C 2.148 178.385 176.117 0.201 0.000 1.167 187 I CA 0.510 61.929 61.300 0.198 0.000 1.469 187 I CB -0.231 37.865 38.000 0.160 0.000 1.098 187 I HN 0.019 nan 8.210 nan 0.000 0.436 188 A N 0.409 123.272 122.820 0.071 0.000 1.978 188 A HA -0.173 4.171 4.320 0.041 0.000 0.220 188 A C 2.472 180.060 177.584 0.006 0.000 1.170 188 A CA 1.717 53.776 52.037 0.037 0.000 0.636 188 A CB -1.084 17.912 19.000 -0.006 0.000 0.810 188 A HN 0.469 nan 8.150 nan 0.000 0.448 189 A N -1.425 121.361 122.820 -0.056 0.000 2.019 189 A HA 0.077 4.421 4.320 0.041 0.000 0.219 189 A C 1.581 178.976 177.584 -0.316 0.000 1.164 189 A CA 1.203 53.103 52.037 -0.229 0.000 0.644 189 A CB -0.619 18.146 19.000 -0.392 0.000 0.805 189 A HN 0.509 nan 8.150 nan 0.000 0.449 190 F N -1.206 118.701 119.950 -0.071 0.000 2.727 190 F HA 0.374 4.925 4.527 0.041 0.000 0.302 190 F C 1.852 177.664 175.800 0.020 0.000 1.097 190 F CA 0.577 58.547 58.000 -0.049 0.000 1.330 190 F CB 0.208 39.193 39.000 -0.024 0.000 1.084 190 F HN 0.340 nan 8.300 nan 0.000 0.578 191 G N 0.027 108.920 108.800 0.155 0.000 2.195 191 G HA2 -0.212 3.772 3.960 0.041 0.000 0.246 191 G HA3 -0.212 3.772 3.960 0.041 0.000 0.246 191 G C 0.796 175.767 174.900 0.117 0.000 0.984 191 G CA -0.287 44.880 45.100 0.111 0.000 0.633 191 G HN 0.718 nan 8.290 nan 0.000 0.525 192 G N -0.180 108.715 108.800 0.158 0.000 2.544 192 G HA2 0.414 4.398 3.960 0.041 0.000 0.242 192 G HA3 0.414 4.398 3.960 0.041 0.000 0.242 192 G C -0.513 174.440 174.900 0.088 0.000 1.247 192 G CA 0.550 45.728 45.100 0.129 0.000 0.840 192 G HN 0.261 nan 8.290 nan 0.000 0.578 193 D N 1.436 121.876 120.400 0.067 0.000 2.359 193 D HA 0.286 4.951 4.640 0.041 0.000 0.230 193 D C -1.250 175.084 176.300 0.056 0.000 1.118 193 D CA -2.365 51.658 54.000 0.038 0.000 0.844 193 D CB 1.939 42.741 40.800 0.004 0.000 1.059 193 D HN 0.064 nan 8.370 nan 0.000 0.493 194 P HA -0.001 nan 4.420 nan 0.000 0.237 194 P C 1.143 178.543 177.300 0.167 0.000 1.178 194 P CA 0.443 63.608 63.100 0.107 0.000 0.766 194 P CB 0.205 31.951 31.700 0.075 0.000 0.876 195 M N -1.085 118.552 119.600 0.062 0.000 2.494 195 M HA 0.093 4.597 4.480 0.041 0.000 0.232 195 M C 0.538 176.522 176.300 -0.528 0.000 1.137 195 M CA 0.470 55.745 55.300 -0.042 0.000 1.012 195 M CB 0.165 32.728 32.600 -0.061 0.000 1.567 195 M HN -0.151 nan 8.290 nan 0.000 0.486 196 S N 0.915 116.445 115.700 -0.283 0.000 2.383 196 S HA 0.442 4.937 4.470 0.041 0.000 0.196 196 S C -1.085 173.545 174.600 0.049 0.000 1.364 196 S CA -0.533 57.486 58.200 -0.302 0.000 1.212 196 S CB 0.601 63.686 63.200 -0.192 0.000 1.171 196 S HN -0.005 nan 8.310 nan 0.000 0.456 197 V N 4.103 124.242 119.914 0.374 0.000 2.448 197 V HA 0.606 4.750 4.120 0.041 0.000 0.295 197 V C -0.108 176.173 176.094 0.313 0.000 1.025 197 V CA -0.440 62.054 62.300 0.323 0.000 0.859 197 V CB 2.087 34.109 31.823 0.331 0.000 0.988 197 V HN 0.789 nan 8.190 nan 0.000 0.431 198 T N 6.246 120.933 114.554 0.222 0.000 2.786 198 T HA 0.567 4.941 4.350 0.041 0.000 0.283 198 T C -0.303 174.554 174.700 0.260 0.000 0.992 198 T CA -0.391 61.846 62.100 0.228 0.000 0.954 198 T CB 0.928 69.873 68.868 0.128 0.000 0.934 198 T HN 0.338 nan 8.240 nan 0.000 0.440 199 L N 4.844 126.209 121.223 0.236 0.000 2.349 199 L HA 0.619 4.984 4.340 0.041 0.000 0.275 199 L C -0.351 176.740 176.870 0.368 0.000 1.115 199 L CA -0.678 54.267 54.840 0.174 0.000 0.820 199 L CB 0.213 42.186 42.059 -0.143 0.000 1.135 199 L HN 0.631 nan 8.230 nan 0.000 0.445 200 F N 0.689 120.714 119.950 0.124 0.000 2.599 200 F HA 0.958 5.509 4.527 0.040 0.000 0.311 200 F C -0.296 175.476 175.800 -0.047 0.000 1.076 200 F CA -1.626 56.492 58.000 0.198 0.000 0.937 200 F CB 1.674 40.941 39.000 0.445 0.000 1.282 200 F HN 0.451 nan 8.300 nan 0.000 0.460 201 G N 1.285 109.949 108.800 -0.226 0.000 2.579 201 G HA2 0.469 4.454 3.960 0.041 0.000 0.292 201 G HA3 0.469 4.454 3.960 0.041 0.000 0.292 201 G C -2.589 172.125 174.900 -0.311 0.000 1.484 201 G CA -0.807 43.799 45.100 -0.823 0.000 0.813 201 G HN 0.885 nan 8.290 nan 0.000 0.515 202 E N 0.706 120.706 120.200 -0.333 0.000 2.222 202 E HA 0.648 5.023 4.350 0.041 0.000 0.267 202 E C 0.641 177.207 176.600 -0.055 0.000 0.884 202 E CA 0.271 56.679 56.400 0.014 0.000 0.764 202 E CB 2.083 31.925 29.700 0.237 0.000 1.169 202 E HN 0.815 nan 8.360 nan 0.000 0.413 203 S N 2.722 118.450 115.700 0.048 0.000 4.140 203 S HA -0.384 4.111 4.470 0.041 0.000 0.618 203 S C 1.422 176.115 174.600 0.155 0.000 1.896 203 S CA 1.846 60.134 58.200 0.146 0.000 4.240 203 S CB -1.627 61.598 63.200 0.042 0.000 0.208 203 S HN 0.919 nan 8.310 nan 0.000 0.487 204 A N 1.066 123.826 122.820 -0.101 0.000 1.972 204 A HA 0.185 4.530 4.320 0.041 0.000 0.219 204 A C 2.439 179.792 177.584 -0.385 0.000 1.169 204 A CA 2.380 54.174 52.037 -0.405 0.000 0.635 204 A CB -1.485 16.883 19.000 -1.054 0.000 0.810 204 A HN 1.559 nan 8.150 nan 0.000 0.446 205 G N -0.590 108.023 108.800 -0.311 0.000 2.422 205 G HA2 0.023 4.007 3.960 0.041 0.000 0.218 205 G HA3 0.023 4.007 3.960 0.041 0.000 0.218 205 G C 1.658 176.396 174.900 -0.270 0.000 1.146 205 G CA 1.316 46.181 45.100 -0.392 0.000 0.769 205 G HN 0.756 nan 8.290 nan 0.000 0.547 206 A N 1.020 123.760 122.820 -0.132 0.000 1.898 206 A HA 0.442 4.787 4.320 0.041 0.000 0.214 206 A C 2.793 180.377 177.584 0.000 0.000 1.183 206 A CA 1.834 53.853 52.037 -0.030 0.000 0.622 206 A CB -0.699 18.340 19.000 0.065 0.000 0.824 206 A HN 0.684 nan 8.150 nan 0.000 0.444 207 A N -0.176 122.674 122.820 0.049 0.000 1.908 207 A HA -0.091 4.254 4.320 0.041 0.000 0.218 207 A C 2.435 180.035 177.584 0.027 0.000 1.181 207 A CA 2.152 54.208 52.037 0.030 0.000 0.627 207 A CB -0.878 18.165 19.000 0.071 0.000 0.818 207 A HN 0.449 nan 8.150 nan 0.000 0.445 208 S N -0.331 115.385 115.700 0.027 0.000 2.348 208 S HA -0.153 4.342 4.470 0.041 0.000 0.221 208 S C 1.916 176.481 174.600 -0.058 0.000 1.033 208 S CA 1.457 59.629 58.200 -0.047 0.000 1.010 208 S CB -0.681 62.435 63.200 -0.140 0.000 0.891 208 S HN 0.349 nan 8.310 nan 0.000 0.442 209 V N 1.923 121.814 119.914 -0.037 0.000 2.278 209 V HA -0.243 3.902 4.120 0.041 0.000 0.251 209 V C 2.652 178.737 176.094 -0.015 0.000 1.062 209 V CA 2.099 64.386 62.300 -0.022 0.000 1.038 209 V CB -1.618 30.171 31.823 -0.057 0.000 0.646 209 V HN 0.619 nan 8.190 nan 0.000 0.447 210 G N -1.138 107.652 108.800 -0.017 0.000 2.450 210 G HA2 -0.293 3.691 3.960 0.041 0.000 0.220 210 G HA3 -0.293 3.691 3.960 0.041 0.000 0.220 210 G C 1.600 176.506 174.900 0.009 0.000 1.130 210 G CA 1.187 46.279 45.100 -0.012 0.000 0.760 210 G HN 0.472 nan 8.290 nan 0.000 0.557 211 M N -0.257 119.331 119.600 -0.020 0.000 2.254 211 M HA 0.056 4.560 4.480 0.041 0.000 0.265 211 M C 2.267 178.601 176.300 0.056 0.000 1.066 211 M CA 0.758 56.076 55.300 0.030 0.000 1.123 211 M CB -0.160 32.448 32.600 0.014 0.000 1.388 211 M HN 0.202 nan 8.290 nan 0.000 0.425 212 H N -0.051 119.094 119.070 0.124 0.000 2.389 212 H HA -0.029 4.552 4.556 0.041 0.000 0.299 212 H C 2.115 177.574 175.328 0.218 0.000 1.081 212 H CA 1.459 57.552 56.048 0.074 0.000 1.345 212 H CB -0.358 29.286 29.762 -0.197 0.000 1.393 212 H HN 0.413 nan 8.280 nan 0.000 0.520 213 I N 0.658 121.423 120.570 0.324 0.000 2.286 213 I HA -0.237 3.958 4.170 0.041 0.000 0.248 213 I C 1.979 178.287 176.117 0.318 0.000 1.115 213 I CA 1.078 62.628 61.300 0.417 0.000 1.392 213 I CB -0.093 38.056 38.000 0.248 0.000 1.065 213 I HN 0.124 nan 8.210 nan 0.000 0.418 214 L N -0.926 120.424 121.223 0.211 0.000 2.567 214 L HA 0.107 4.471 4.340 0.041 0.000 0.225 214 L C 0.991 177.901 176.870 0.067 0.000 1.119 214 L CA 0.039 54.982 54.840 0.171 0.000 0.871 214 L CB 0.093 42.233 42.059 0.135 0.000 1.036 214 L HN 0.024 nan 8.230 nan 0.000 0.459 215 S N -0.070 115.630 115.700 -0.000 0.000 2.438 215 S HA 0.216 4.711 4.470 0.041 0.000 0.316 215 S C 0.676 175.204 174.600 -0.120 0.000 1.084 215 S CA -0.613 57.467 58.200 -0.201 0.000 1.107 215 S CB 1.394 64.151 63.200 -0.739 0.000 0.981 215 S HN 0.141 nan 8.310 nan 0.000 0.466 216 L N 7.855 129.016 121.223 -0.103 0.000 1.990 216 L HA 0.089 4.453 4.340 0.041 0.000 0.213 216 L C -1.087 175.750 176.870 -0.056 0.000 1.072 216 L CA 2.219 57.023 54.840 -0.061 0.000 0.755 216 L CB -1.283 40.740 42.059 -0.059 0.000 0.889 216 L HN 0.493 nan 8.230 nan 0.000 0.432 217 P HA -0.107 nan 4.420 nan 0.000 0.220 217 P C 1.651 178.952 177.300 0.002 0.000 1.144 217 P CA 1.444 64.515 63.100 -0.049 0.000 0.800 217 P CB -0.024 31.635 31.700 -0.069 0.000 0.772 218 S N -1.235 114.481 115.700 0.027 0.000 2.470 218 S HA 0.030 4.524 4.470 0.041 0.000 0.225 218 S C 1.724 176.490 174.600 0.276 0.000 1.006 218 S CA 0.449 58.766 58.200 0.195 0.000 0.934 218 S CB -0.356 63.063 63.200 0.366 0.000 0.778 218 S HN 0.196 nan 8.310 nan 0.000 0.517 219 R N 1.501 122.075 120.500 0.124 0.000 2.235 219 R HA 0.009 4.373 4.340 0.041 0.000 0.213 219 R C 1.785 177.950 176.300 -0.225 0.000 1.059 219 R CA 1.229 57.290 56.100 -0.066 0.000 0.997 219 R CB -0.301 29.956 30.300 -0.071 0.000 0.884 219 R HN 0.427 nan 8.270 nan 0.000 0.462 220 S N -0.118 115.523 115.700 -0.099 0.000 2.671 220 S HA 0.128 4.623 4.470 0.041 0.000 0.220 220 S C 1.298 175.836 174.600 -0.102 0.000 0.951 220 S CA 0.117 58.248 58.200 -0.117 0.000 0.932 220 S CB 0.023 63.189 63.200 -0.057 0.000 0.777 220 S HN 0.216 nan 8.310 nan 0.000 0.508 221 L N 0.314 121.507 121.223 -0.049 0.000 3.135 221 L HA 0.527 4.892 4.340 0.041 0.000 0.279 221 L C -0.329 176.623 176.870 0.138 0.000 1.200 221 L CA -0.434 54.439 54.840 0.056 0.000 1.016 221 L CB 0.332 42.465 42.059 0.123 0.000 1.391 221 L HN 0.498 nan 8.230 nan 0.000 0.588 222 F N -4.034 115.762 119.950 -0.256 0.000 2.773 222 F HA 0.465 5.017 4.527 0.041 0.000 0.314 222 F C 0.133 175.658 175.800 -0.457 0.000 1.160 222 F CA -0.945 56.911 58.000 -0.239 0.000 0.920 222 F CB 0.808 39.774 39.000 -0.057 0.000 1.323 222 F HN -0.155 nan 8.300 nan 0.000 0.457 223 H N -0.508 118.563 119.070 0.003 0.000 2.926 223 H HA 0.442 5.022 4.556 0.041 0.000 0.249 223 H C -0.104 175.221 175.328 -0.004 0.000 0.963 223 H CA -0.002 55.983 56.048 -0.104 0.000 1.158 223 H CB 0.993 30.720 29.762 -0.058 0.000 1.445 223 H HN 0.412 nan 8.280 nan 0.000 0.452 224 R N 0.221 120.899 120.500 0.297 0.000 2.836 224 R HA 0.721 5.086 4.340 0.041 0.000 0.269 224 R C -1.355 175.221 176.300 0.460 0.000 1.010 224 R CA -0.670 55.593 56.100 0.272 0.000 0.930 224 R CB 2.907 33.180 30.300 -0.045 0.000 1.218 224 R HN 0.142 nan 8.270 nan 0.000 0.473 225 A N 1.120 124.222 122.820 0.470 0.000 2.486 225 A HA 0.663 5.008 4.320 0.041 0.000 0.300 225 A C -1.367 176.399 177.584 0.303 0.000 1.048 225 A CA -0.618 51.632 52.037 0.353 0.000 0.696 225 A CB 1.804 20.959 19.000 0.258 0.000 1.278 225 A HN 0.322 nan 8.150 nan 0.000 0.405 226 V N 2.079 122.140 119.914 0.245 0.000 2.448 226 V HA 0.535 4.680 4.120 0.041 0.000 0.295 226 V C -1.048 175.163 176.094 0.195 0.000 1.025 226 V CA -0.370 62.016 62.300 0.144 0.000 0.859 226 V CB 1.200 33.143 31.823 0.201 0.000 0.988 226 V HN 0.675 nan 8.190 nan 0.000 0.431 227 L N 5.149 126.456 121.223 0.141 0.000 2.318 227 L HA 0.521 4.886 4.340 0.041 0.000 0.277 227 L C -0.044 176.946 176.870 0.200 0.000 1.008 227 L CA -0.029 54.888 54.840 0.130 0.000 0.846 227 L CB 1.500 43.589 42.059 0.050 0.000 1.220 227 L HN 0.627 nan 8.230 nan 0.000 0.423 228 Q N 2.022 121.987 119.800 0.275 0.000 2.368 228 Q HA 0.473 4.838 4.340 0.041 0.000 0.256 228 Q C 0.114 176.253 176.000 0.233 0.000 0.980 228 Q CA -0.518 55.503 55.803 0.364 0.000 0.887 228 Q CB 1.312 30.349 28.738 0.499 0.000 1.221 228 Q HN 0.628 nan 8.270 nan 0.000 0.458 229 S N 0.954 116.773 115.700 0.199 0.000 3.749 229 S HA -0.144 4.350 4.470 0.041 0.000 0.348 229 S C 0.007 174.805 174.600 0.331 0.000 1.045 229 S CA 0.536 58.875 58.200 0.233 0.000 1.051 229 S CB -1.173 62.134 63.200 0.179 0.000 0.898 229 S HN 1.020 nan 8.310 nan 0.000 0.472 230 G N -0.558 108.409 108.800 0.279 0.000 2.519 230 G HA2 0.655 4.640 3.960 0.041 0.000 0.292 230 G HA3 0.655 4.640 3.960 0.041 0.000 0.292 230 G C -0.976 174.023 174.900 0.165 0.000 1.507 230 G CA 0.267 45.608 45.100 0.401 0.000 0.806 230 G HN 1.059 nan 8.290 nan 0.000 0.523 231 T N -1.451 113.130 114.554 0.045 0.000 2.885 231 T HA 0.702 5.076 4.350 0.041 0.000 0.322 231 T C -2.391 172.166 174.700 -0.238 0.000 1.387 231 T CA -1.045 60.997 62.100 -0.097 0.000 1.041 231 T CB 2.860 71.653 68.868 -0.125 0.000 1.287 231 T HN 0.335 nan 8.240 nan 0.000 0.491 232 P HA -0.048 nan 4.420 nan 0.000 0.216 232 P C 0.404 177.547 177.300 -0.263 0.000 1.153 232 P CA 0.792 63.772 63.100 -0.199 0.000 0.844 232 P CB -0.171 31.468 31.700 -0.103 0.000 0.787 233 N N 0.892 119.459 118.700 -0.221 0.000 2.288 233 N HA 0.202 4.967 4.740 0.041 0.000 0.237 233 N C 0.872 176.178 175.510 -0.340 0.000 1.311 233 N CA 0.976 53.891 53.050 -0.225 0.000 0.909 233 N CB -0.298 38.101 38.487 -0.147 0.000 1.167 233 N HN 0.281 nan 8.380 nan 0.000 0.476 234 G N -0.913 107.708 108.800 -0.299 0.000 2.592 234 G HA2 -0.128 3.857 3.960 0.041 0.000 0.684 234 G HA3 -0.128 3.857 3.960 0.041 0.000 0.684 234 G C -2.211 172.442 174.900 -0.412 0.000 1.291 234 G CA -0.171 44.704 45.100 -0.375 0.000 0.891 234 G HN 0.567 nan 8.290 nan 0.000 0.544 235 P HA 0.143 nan 4.420 nan 0.000 0.235 235 P C 1.478 178.680 177.300 -0.163 0.000 1.177 235 P CA 1.895 64.836 63.100 -0.265 0.000 0.785 235 P CB -0.037 31.471 31.700 -0.319 0.000 0.885 236 W N -1.458 119.731 121.300 -0.185 0.000 2.940 236 W HA 0.584 5.268 4.660 0.040 0.000 0.297 236 W C 1.010 177.593 176.519 0.106 0.000 1.149 236 W CA 0.438 57.749 57.345 -0.058 0.000 1.564 236 W CB -0.762 28.694 29.460 -0.007 0.000 1.010 236 W HN -0.165 nan 8.180 nan 0.000 0.578 237 A N 1.818 124.339 122.820 -0.499 0.000 2.072 237 A HA 0.134 4.479 4.320 0.041 0.000 0.216 237 A C 1.218 178.643 177.584 -0.266 0.000 1.156 237 A CA 1.763 53.560 52.037 -0.399 0.000 0.701 237 A CB -0.742 17.738 19.000 -0.867 0.000 0.816 237 A HN 0.225 nan 8.150 nan 0.000 0.458 238 T N -3.139 111.266 114.554 -0.248 0.000 2.887 238 T HA 0.637 5.011 4.350 0.041 0.000 0.292 238 T C -0.564 174.045 174.700 -0.152 0.000 1.087 238 T CA -0.095 61.874 62.100 -0.217 0.000 1.009 238 T CB 1.391 70.144 68.868 -0.191 0.000 1.203 238 T HN 0.923 nan 8.240 nan 0.000 0.518 239 V N -1.159 118.674 119.914 -0.135 0.000 3.040 239 V HA 0.888 5.032 4.120 0.041 0.000 0.312 239 V C 0.243 176.287 176.094 -0.083 0.000 1.115 239 V CA -0.793 61.444 62.300 -0.106 0.000 0.998 239 V CB 1.332 33.090 31.823 -0.109 0.000 1.042 239 V HN 1.387 nan 8.190 nan 0.000 0.433 240 S N 1.827 117.484 115.700 -0.072 0.000 2.584 240 S HA 0.544 5.039 4.470 0.041 0.000 0.270 240 S C 1.404 175.978 174.600 -0.044 0.000 1.346 240 S CA 0.121 58.288 58.200 -0.054 0.000 1.018 240 S CB 1.182 64.352 63.200 -0.051 0.000 0.899 240 S HN 2.002 nan 8.310 nan 0.000 0.542 241 A N 2.265 125.067 122.820 -0.031 0.000 1.940 241 A HA 0.108 4.452 4.320 0.041 0.000 0.219 241 A C 2.185 179.754 177.584 -0.024 0.000 1.176 241 A CA 1.676 53.701 52.037 -0.021 0.000 0.631 241 A CB -1.746 17.247 19.000 -0.012 0.000 0.814 241 A HN 1.157 nan 8.150 nan 0.000 0.446 242 G N -0.592 108.190 108.800 -0.029 0.000 2.422 242 G HA2 -0.175 3.810 3.960 0.041 0.000 0.218 242 G HA3 -0.175 3.810 3.960 0.041 0.000 0.218 242 G C 1.455 176.331 174.900 -0.040 0.000 1.140 242 G CA 1.288 46.369 45.100 -0.031 0.000 0.775 242 G HN 0.606 nan 8.290 nan 0.000 0.545 243 E N 0.709 120.878 120.200 -0.051 0.000 2.170 243 E HA 0.242 4.617 4.350 0.041 0.000 0.191 243 E C 2.550 179.103 176.600 -0.079 0.000 0.981 243 E CA 1.108 57.466 56.400 -0.070 0.000 0.830 243 E CB -0.360 29.290 29.700 -0.084 0.000 0.775 243 E HN 0.228 nan 8.360 nan 0.000 0.470 244 A N 1.175 123.960 122.820 -0.058 0.000 1.902 244 A HA -0.174 4.171 4.320 0.041 0.000 0.217 244 A C 2.279 179.862 177.584 -0.002 0.000 1.181 244 A CA 1.693 53.713 52.037 -0.028 0.000 0.623 244 A CB -0.635 18.369 19.000 0.006 0.000 0.818 244 A HN 0.286 nan 8.150 nan 0.000 0.443 245 R N -0.476 120.016 120.500 -0.013 0.000 2.083 245 R HA -0.178 4.187 4.340 0.041 0.000 0.237 245 R C 2.452 178.743 176.300 -0.015 0.000 1.137 245 R CA 1.806 57.899 56.100 -0.012 0.000 0.951 245 R CB -0.348 29.941 30.300 -0.018 0.000 0.851 245 R HN 0.521 nan 8.270 nan 0.000 0.434 246 R N 0.463 120.945 120.500 -0.030 0.000 2.080 246 R HA -0.143 4.222 4.340 0.041 0.000 0.236 246 R C 2.284 178.564 176.300 -0.032 0.000 1.137 246 R CA 2.035 58.113 56.100 -0.036 0.000 0.943 246 R CB -0.160 30.110 30.300 -0.051 0.000 0.846 246 R HN 0.299 nan 8.270 nan 0.000 0.431 247 R N -0.280 120.185 120.500 -0.058 0.000 2.120 247 R HA -0.066 4.298 4.340 0.041 0.000 0.234 247 R C 2.292 178.658 176.300 0.111 0.000 1.123 247 R CA 1.277 57.332 56.100 -0.074 0.000 0.975 247 R CB -0.266 29.848 30.300 -0.311 0.000 0.866 247 R HN 0.266 nan 8.270 nan 0.000 0.446 248 A N 0.401 123.314 122.820 0.154 0.000 1.897 248 A HA -0.149 4.196 4.320 0.041 0.000 0.215 248 A C 2.246 179.851 177.584 0.035 0.000 1.181 248 A CA 1.849 53.980 52.037 0.155 0.000 0.620 248 A CB -0.777 18.255 19.000 0.054 0.000 0.821 248 A HN 0.363 nan 8.150 nan 0.000 0.443 249 T N -1.292 113.268 114.554 0.010 0.000 2.995 249 T HA -0.070 4.304 4.350 0.041 0.000 0.269 249 T C 1.735 176.435 174.700 0.000 0.000 1.091 249 T CA 1.465 63.560 62.100 -0.008 0.000 1.128 249 T CB -0.388 68.470 68.868 -0.016 0.000 0.891 249 T HN 0.214 nan 8.240 nan 0.000 0.492 250 L N 0.716 121.948 121.223 0.015 0.000 2.044 250 L HA 0.278 4.643 4.340 0.041 0.000 0.205 250 L C 2.258 179.145 176.870 0.028 0.000 1.075 250 L CA 1.604 56.452 54.840 0.014 0.000 0.747 250 L CB -1.194 40.870 42.059 0.007 0.000 0.903 250 L HN 0.366 nan 8.230 nan 0.000 0.435 251 L N -0.042 121.229 121.223 0.080 0.000 2.042 251 L HA -0.158 4.206 4.340 0.041 0.000 0.210 251 L C 2.502 179.376 176.870 0.007 0.000 1.076 251 L CA 1.974 56.865 54.840 0.085 0.000 0.749 251 L CB -0.742 41.418 42.059 0.168 0.000 0.893 251 L HN 0.326 nan 8.230 nan 0.000 0.432 252 A N -0.595 122.220 122.820 -0.008 0.000 1.908 252 A HA -0.264 4.081 4.320 0.041 0.000 0.218 252 A C 2.504 180.071 177.584 -0.027 0.000 1.181 252 A CA 1.879 53.901 52.037 -0.025 0.000 0.627 252 A CB -0.666 18.314 19.000 -0.033 0.000 0.818 252 A HN 0.491 nan 8.150 nan 0.000 0.445 253 R N -0.509 119.974 120.500 -0.028 0.000 2.081 253 R HA -0.056 4.309 4.340 0.041 0.000 0.235 253 R C 1.961 178.220 176.300 -0.068 0.000 1.131 253 R CA 1.491 57.570 56.100 -0.035 0.000 0.960 253 R CB -0.400 29.884 30.300 -0.027 0.000 0.856 253 R HN 0.561 nan 8.270 nan 0.000 0.436 254 L N 0.628 121.784 121.223 -0.112 0.000 2.265 254 L HA -0.106 4.259 4.340 0.041 0.000 0.215 254 L C 1.916 178.593 176.870 -0.322 0.000 1.117 254 L CA 0.764 55.438 54.840 -0.277 0.000 0.782 254 L CB -0.023 41.804 42.059 -0.386 0.000 0.914 254 L HN 0.192 nan 8.230 nan 0.000 0.441 255 V N -4.492 115.344 119.914 -0.131 0.000 3.483 255 V HA 0.517 4.662 4.120 0.041 0.000 0.301 255 V C 1.096 177.190 176.094 0.001 0.000 1.389 255 V CA 0.248 62.535 62.300 -0.021 0.000 1.101 255 V CB -0.024 31.831 31.823 0.052 0.000 0.971 255 V HN 0.396 nan 8.190 nan 0.000 0.434 256 G N -0.416 108.374 108.800 -0.018 0.000 2.142 256 G HA2 -0.219 3.766 3.960 0.041 0.000 0.225 256 G HA3 -0.219 3.766 3.960 0.041 0.000 0.225 256 G C 0.132 175.033 174.900 0.002 0.000 1.015 256 G CA -0.021 45.078 45.100 -0.003 0.000 0.716 256 G HN 0.658 nan 8.290 nan 0.000 0.508 266 D N 1.178 121.574 120.400 -0.006 0.000 2.123 266 D HA -0.090 4.574 4.640 0.041 0.000 0.196 266 D C 1.301 177.599 176.300 -0.004 0.000 0.992 266 D CA 1.785 55.779 54.000 -0.011 0.000 0.833 266 D CB 0.217 41.011 40.800 -0.010 0.000 0.954 266 D HN 0.600 nan 8.370 nan 0.000 0.455 267 T N 0.451 115.009 114.554 0.005 0.000 2.708 267 T HA -0.168 4.207 4.350 0.041 0.000 0.266 267 T C 1.803 176.513 174.700 0.017 0.000 1.037 267 T CA 1.381 63.489 62.100 0.015 0.000 1.146 267 T CB -0.220 68.657 68.868 0.016 0.000 0.865 267 T HN 0.282 nan 8.240 nan 0.000 0.435 268 E N 0.548 120.755 120.200 0.011 0.000 2.070 268 E HA -0.171 4.204 4.350 0.041 0.000 0.197 268 E C 2.204 178.811 176.600 0.011 0.000 1.004 268 E CA 1.178 57.585 56.400 0.011 0.000 0.805 268 E CB -0.257 29.448 29.700 0.007 0.000 0.744 268 E HN 0.422 nan 8.360 nan 0.000 0.451 269 L N 0.337 121.561 121.223 0.001 0.000 2.027 269 L HA -0.142 4.223 4.340 0.041 0.000 0.206 269 L C 2.323 179.191 176.870 -0.003 0.000 1.074 269 L CA 1.205 56.041 54.840 -0.008 0.000 0.745 269 L CB -0.128 41.917 42.059 -0.025 0.000 0.898 269 L HN 0.217 nan 8.230 nan 0.000 0.433 270 I N -0.151 120.419 120.570 -0.000 0.000 2.315 270 I HA -0.238 3.957 4.170 0.041 0.000 0.248 270 I C 2.722 178.899 176.117 0.100 0.000 1.117 270 I CA 1.030 62.349 61.300 0.033 0.000 1.404 270 I CB -0.542 37.478 38.000 0.034 0.000 1.071 270 I HN 0.321 nan 8.210 nan 0.000 0.419 271 A N -0.221 122.639 122.820 0.067 0.000 1.908 271 A HA -0.314 4.030 4.320 0.041 0.000 0.218 271 A C 2.531 180.153 177.584 0.064 0.000 1.181 271 A CA 2.079 54.154 52.037 0.064 0.000 0.627 271 A CB -1.398 17.627 19.000 0.041 0.000 0.818 271 A HN 0.637 nan 8.150 nan 0.000 0.445 272 c N -0.695 117.936 118.600 0.051 0.000 2.440 272 c HA 0.069 4.664 4.570 0.041 0.000 0.278 272 c C 2.559 176.688 174.090 0.066 0.000 1.295 272 c CA 0.959 57.315 56.329 0.046 0.000 1.738 272 c CB -1.561 40.966 42.510 0.029 0.000 1.987 272 c HN 0.576 nan 8.230 nan 0.000 0.492 273 L N 0.415 121.693 121.223 0.092 0.000 2.131 273 L HA -0.092 4.272 4.340 0.041 0.000 0.210 273 L C 2.974 179.961 176.870 0.195 0.000 1.092 273 L CA 1.446 56.375 54.840 0.148 0.000 0.759 273 L CB -0.598 41.559 42.059 0.162 0.000 0.903 273 L HN 0.357 nan 8.230 nan 0.000 0.435 274 R N -0.599 120.010 120.500 0.182 0.000 2.237 274 R HA -0.107 4.257 4.340 0.041 0.000 0.219 274 R C 2.170 178.488 176.300 0.031 0.000 1.080 274 R CA 1.604 57.750 56.100 0.076 0.000 0.995 274 R CB -0.402 29.933 30.300 0.058 0.000 0.875 274 R HN 0.492 nan 8.270 nan 0.000 0.462 275 T N -1.419 113.161 114.554 0.043 0.000 3.085 275 T HA 0.055 4.430 4.350 0.041 0.000 0.263 275 T C 0.925 175.640 174.700 0.025 0.000 1.127 275 T CA 0.123 62.239 62.100 0.027 0.000 1.103 275 T CB 0.124 69.009 68.868 0.028 0.000 0.921 275 T HN -0.123 nan 8.240 nan 0.000 0.510 276 R N 2.733 123.256 120.500 0.038 0.000 2.298 276 R HA 0.393 4.757 4.340 0.041 0.000 0.310 276 R C -2.627 173.686 176.300 0.022 0.000 1.068 276 R CA -2.548 53.576 56.100 0.039 0.000 0.957 276 R CB 0.192 30.528 30.300 0.060 0.000 1.003 276 R HN 0.273 nan 8.270 nan 0.000 0.454 277 P HA -0.089 nan 4.420 nan 0.000 0.266 277 P C 0.369 177.645 177.300 -0.040 0.000 1.186 277 P CA 0.323 63.407 63.100 -0.028 0.000 0.767 277 P CB 0.581 32.274 31.700 -0.012 0.000 0.820 278 A N 2.433 125.144 122.820 -0.182 0.000 1.902 278 A HA -0.258 4.086 4.320 0.041 0.000 0.217 278 A C 2.143 179.666 177.584 -0.102 0.000 1.181 278 A CA 1.855 53.737 52.037 -0.258 0.000 0.623 278 A CB -1.157 17.146 19.000 -1.161 0.000 0.818 278 A HN 0.547 nan 8.150 nan 0.000 0.443 279 Q N 0.110 119.852 119.800 -0.095 0.000 2.224 279 Q HA -0.151 4.213 4.340 0.041 0.000 0.203 279 Q C 1.212 177.303 176.000 0.152 0.000 0.970 279 Q CA 1.812 57.729 55.803 0.189 0.000 0.865 279 Q CB -0.357 28.503 28.738 0.204 0.000 0.922 279 Q HN 0.627 nan 8.270 nan 0.000 0.445 280 D N -0.694 119.766 120.400 0.101 0.000 2.123 280 D HA -0.160 4.504 4.640 0.041 0.000 0.196 280 D C 1.465 177.854 176.300 0.147 0.000 0.992 280 D CA 0.866 54.938 54.000 0.119 0.000 0.833 280 D CB -0.051 40.812 40.800 0.105 0.000 0.954 280 D HN 0.221 nan 8.370 nan 0.000 0.455 281 L N 0.143 121.435 121.223 0.116 0.000 2.005 281 L HA -0.106 4.258 4.340 0.041 0.000 0.207 281 L C 2.565 179.506 176.870 0.118 0.000 1.072 281 L CA 0.912 55.788 54.840 0.060 0.000 0.744 281 L CB -0.956 41.021 42.059 -0.137 0.000 0.895 281 L HN -0.050 nan 8.230 nan 0.000 0.433 282 V N -0.097 119.948 119.914 0.218 0.000 2.324 282 V HA -0.342 3.802 4.120 0.041 0.000 0.250 282 V C 2.209 178.406 176.094 0.172 0.000 1.060 282 V CA 1.899 64.372 62.300 0.288 0.000 1.042 282 V CB -0.663 31.436 31.823 0.461 0.000 0.650 282 V HN 0.428 nan 8.190 nan 0.000 0.450 283 D N -1.101 119.353 120.400 0.090 0.000 2.190 283 D HA -0.164 4.500 4.640 0.041 0.000 0.200 283 D C 1.867 177.959 176.300 -0.347 0.000 0.992 283 D CA 1.418 55.359 54.000 -0.099 0.000 0.854 283 D CB -0.200 40.491 40.800 -0.182 0.000 0.936 283 D HN 0.545 nan 8.370 nan 0.000 0.462 284 H N -0.686 118.345 119.070 -0.066 0.000 2.755 284 H HA 0.160 4.740 4.556 0.041 0.000 0.273 284 H C 1.507 176.781 175.328 -0.090 0.000 1.055 284 H CA -0.112 55.814 56.048 -0.203 0.000 1.191 284 H CB 0.664 30.433 29.762 0.011 0.000 1.536 284 H HN 0.273 nan 8.280 nan 0.000 0.529 285 E N 0.580 120.871 120.200 0.151 0.000 2.130 285 E HA -0.202 4.172 4.350 0.041 0.000 0.196 285 E C 1.296 178.118 176.600 0.370 0.000 0.998 285 E CA 0.865 57.478 56.400 0.356 0.000 0.806 285 E CB 0.080 30.016 29.700 0.393 0.000 0.738 285 E HN 0.528 nan 8.360 nan 0.000 0.459 286 W N -0.034 121.195 121.300 -0.119 0.000 3.139 286 W HA 0.009 4.694 4.660 0.040 0.000 0.260 286 W C 0.863 177.441 176.519 0.098 0.000 1.312 286 W CA 0.262 57.564 57.345 -0.073 0.000 1.606 286 W CB 0.193 29.567 29.460 -0.142 0.000 1.118 286 W HN 0.298 nan 8.180 nan 0.000 0.675 287 H N -0.517 118.654 119.070 0.168 0.000 2.547 287 H HA -0.065 4.515 4.556 0.041 0.000 0.266 287 H C 1.953 177.278 175.328 -0.005 0.000 0.988 287 H CA 0.564 56.669 56.048 0.096 0.000 1.147 287 H CB 0.307 30.180 29.762 0.185 0.000 1.365 287 H HN 0.048 nan 8.280 nan 0.000 0.589 288 V N -1.767 118.160 119.914 0.021 0.000 3.660 288 V HA 0.173 4.318 4.120 0.041 0.000 0.276 288 V C 0.556 176.529 176.094 -0.201 0.000 1.317 288 V CA -0.150 62.102 62.300 -0.079 0.000 1.097 288 V CB -0.309 31.460 31.823 -0.091 0.000 0.863 288 V HN 0.105 nan 8.190 nan 0.000 0.438 289 L N 2.585 123.637 121.223 -0.286 0.000 2.453 289 L HA 0.241 4.606 4.340 0.041 0.000 0.272 289 L C -0.369 176.383 176.870 -0.195 0.000 1.182 289 L CA -0.973 53.675 54.840 -0.320 0.000 0.858 289 L CB 0.641 42.425 42.059 -0.458 0.000 1.120 289 L HN 0.138 nan 8.230 nan 0.000 0.474 290 P HA -0.093 nan 4.420 nan 0.000 0.223 290 P C -0.196 177.049 177.300 -0.092 0.000 1.151 290 P CA 1.083 64.115 63.100 -0.114 0.000 0.787 290 P CB 0.462 32.098 31.700 -0.107 0.000 0.788 291 Q N -1.380 118.358 119.800 -0.103 0.000 2.501 291 Q HA 0.328 4.692 4.340 0.041 0.000 0.288 291 Q C -0.615 175.339 176.000 -0.077 0.000 1.051 291 Q CA -0.726 55.032 55.803 -0.074 0.000 0.788 291 Q CB 1.456 30.158 28.738 -0.061 0.000 1.469 291 Q HN -0.087 nan 8.270 nan 0.000 0.416 292 E N 1.192 121.367 120.200 -0.041 0.000 2.328 292 E HA 0.253 4.628 4.350 0.041 0.000 0.265 292 E C -0.969 175.619 176.600 -0.019 0.000 1.057 292 E CA 0.168 56.557 56.400 -0.017 0.000 0.916 292 E CB 0.332 30.037 29.700 0.009 0.000 0.993 292 E HN 0.612 nan 8.360 nan 0.000 0.446 293 S N 3.511 119.200 115.700 -0.019 0.000 2.671 293 S HA 0.722 5.217 4.470 0.041 0.000 0.277 293 S C -0.368 174.245 174.600 0.022 0.000 1.165 293 S CA -1.018 57.167 58.200 -0.025 0.000 0.822 293 S CB 1.066 64.212 63.200 -0.090 0.000 1.150 293 S HN 0.509 nan 8.310 nan 0.000 0.479 294 I N -3.422 117.157 120.570 0.015 0.000 3.042 294 I HA 0.776 4.971 4.170 0.041 0.000 0.310 294 I C -0.443 175.646 176.117 -0.047 0.000 1.117 294 I CA -1.276 60.060 61.300 0.060 0.000 1.003 294 I CB 1.197 39.287 38.000 0.150 0.000 1.228 294 I HN 0.706 nan 8.210 nan 0.000 0.443 295 F N 1.361 121.107 119.950 -0.340 0.000 3.067 295 F HA -0.210 4.341 4.527 0.040 0.000 0.279 295 F C -0.062 175.157 175.800 -0.968 0.000 0.945 295 F CA 0.873 58.375 58.000 -0.829 0.000 0.948 295 F CB -0.759 37.622 39.000 -1.032 0.000 0.898 295 F HN 0.706 nan 8.300 nan 0.000 0.746 296 R N 0.508 120.506 120.500 -0.836 0.000 2.564 296 R HA 0.664 5.028 4.340 0.041 0.000 0.284 296 R C -1.510 174.290 176.300 -0.833 0.000 1.031 296 R CA -0.426 55.225 56.100 -0.748 0.000 0.904 296 R CB 1.085 31.173 30.300 -0.353 0.000 1.199 296 R HN -0.026 nan 8.270 nan 0.000 0.443 297 F N 0.885 120.829 119.950 -0.009 0.000 2.540 297 F HA 0.390 4.941 4.527 0.041 0.000 0.317 297 F C 1.159 176.814 175.800 -0.242 0.000 1.104 297 F CA -0.870 57.113 58.000 -0.029 0.000 0.913 297 F CB 2.330 41.563 39.000 0.388 0.000 1.170 297 F HN 0.445 nan 8.300 nan 0.000 0.450 298 S N 0.931 116.451 115.700 -0.300 0.000 2.355 298 S HA -0.005 4.489 4.470 0.041 0.000 0.222 298 S C 0.037 174.291 174.600 -0.576 0.000 1.031 298 S CA 1.151 59.036 58.200 -0.525 0.000 0.993 298 S CB -0.191 62.684 63.200 -0.543 0.000 0.859 298 S HN 0.356 nan 8.310 nan 0.000 0.453 299 F N 1.637 121.699 119.950 0.187 0.000 2.382 299 F HA 0.552 5.103 4.527 0.041 0.000 0.361 299 F C -0.082 175.818 175.800 0.167 0.000 1.109 299 F CA -0.920 57.199 58.000 0.198 0.000 1.031 299 F CB 1.347 40.500 39.000 0.256 0.000 1.234 299 F HN -0.109 nan 8.300 nan 0.000 0.445 300 V N 0.901 120.835 119.914 0.033 0.000 3.181 300 V HA 0.745 4.890 4.120 0.041 0.000 0.308 300 V C -2.963 172.777 176.094 -0.590 0.000 1.214 300 V CA -3.302 58.671 62.300 -0.544 0.000 1.053 300 V CB 2.046 33.693 31.823 -0.294 0.000 1.069 300 V HN 0.255 nan 8.190 nan 0.000 0.441 301 P HA 0.203 nan 4.420 nan 0.000 0.265 301 P C -0.676 176.477 177.300 -0.245 0.000 1.193 301 P CA 0.381 63.191 63.100 -0.484 0.000 0.765 301 P CB 0.753 32.078 31.700 -0.624 0.000 0.823 302 V N 4.930 124.787 119.914 -0.096 0.000 2.547 302 V HA 0.219 4.364 4.120 0.041 0.000 0.299 302 V C -0.210 175.861 176.094 -0.039 0.000 1.040 302 V CA -0.853 61.413 62.300 -0.057 0.000 0.913 302 V CB 2.001 33.821 31.823 -0.005 0.000 0.992 302 V HN 0.143 nan 8.190 nan 0.000 0.449 303 V N 7.241 127.132 119.914 -0.038 0.000 2.302 303 V HA 0.138 4.283 4.120 0.041 0.000 0.244 303 V C 0.920 177.017 176.094 0.006 0.000 1.160 303 V CA 0.361 62.653 62.300 -0.014 0.000 1.127 303 V CB -0.127 31.679 31.823 -0.028 0.000 1.253 303 V HN 1.055 nan 8.190 nan 0.000 0.496 304 D N 2.596 123.016 120.400 0.032 0.000 2.349 304 D HA 0.083 4.747 4.640 0.041 0.000 0.215 304 D C 1.600 177.924 176.300 0.040 0.000 1.016 304 D CA 0.760 54.784 54.000 0.040 0.000 0.870 304 D CB 0.298 41.136 40.800 0.063 0.000 0.917 304 D HN 0.656 nan 8.370 nan 0.000 0.524 305 G N 0.624 109.448 108.800 0.040 0.000 2.168 305 G HA2 -0.338 3.647 3.960 0.041 0.000 0.263 305 G HA3 -0.338 3.647 3.960 0.041 0.000 0.263 305 G C 0.468 175.393 174.900 0.041 0.000 0.977 305 G CA 0.791 45.910 45.100 0.032 0.000 0.659 305 G HN 0.544 nan 8.290 nan 0.000 0.533 306 D N -1.585 118.857 120.400 0.071 0.000 3.074 306 D HA 0.248 4.913 4.640 0.041 0.000 0.227 306 D C 1.750 178.112 176.300 0.103 0.000 1.553 306 D CA 0.413 54.461 54.000 0.080 0.000 1.347 306 D CB -0.564 40.294 40.800 0.097 0.000 1.021 306 D HN 0.080 nan 8.370 nan 0.000 0.260 307 F N 1.050 121.011 119.950 0.018 0.000 2.126 307 F HA 0.190 4.741 4.527 0.041 0.000 0.299 307 F C 0.498 176.301 175.800 0.004 0.000 1.096 307 F CA 1.158 59.169 58.000 0.017 0.000 1.255 307 F CB 0.202 39.212 39.000 0.017 0.000 0.997 307 F HN -0.028 nan 8.300 nan 0.000 0.479 308 L N 0.731 122.113 121.223 0.266 0.000 2.318 308 L HA 0.200 4.564 4.340 0.041 0.000 0.277 308 L C 1.277 178.189 176.870 0.071 0.000 1.008 308 L CA -0.232 54.696 54.840 0.148 0.000 0.846 308 L CB 1.448 43.588 42.059 0.135 0.000 1.220 308 L HN 0.050 nan 8.230 nan 0.000 0.423 309 S N 0.361 116.083 115.700 0.036 0.000 2.453 309 S HA 0.026 4.520 4.470 0.041 0.000 0.231 309 S C 0.467 175.074 174.600 0.012 0.000 1.005 309 S CA 0.393 58.603 58.200 0.018 0.000 0.949 309 S CB 0.211 63.412 63.200 0.001 0.000 0.774 309 S HN 0.671 nan 8.310 nan 0.000 0.510 310 D N 0.379 120.787 120.400 0.013 0.000 2.752 310 D HA 0.309 4.974 4.640 0.041 0.000 0.313 310 D C -0.852 175.449 176.300 0.001 0.000 1.225 310 D CA -0.021 53.981 54.000 0.004 0.000 0.976 310 D CB 1.636 42.436 40.800 0.000 0.000 1.443 310 D HN 0.248 nan 8.370 nan 0.000 0.515 311 T N -0.809 113.737 114.554 -0.012 0.000 2.937 311 T HA 0.156 4.530 4.350 0.041 0.000 0.316 311 T C -1.812 172.876 174.700 -0.020 0.000 1.079 311 T CA -0.685 61.398 62.100 -0.027 0.000 1.131 311 T CB 0.839 69.684 68.868 -0.038 0.000 1.000 311 T HN 0.107 nan 8.240 nan 0.000 0.549 312 P HA -0.167 nan 4.420 nan 0.000 0.217 312 P C 1.509 178.797 177.300 -0.020 0.000 1.151 312 P CA 1.492 64.573 63.100 -0.031 0.000 0.849 312 P CB 0.058 31.709 31.700 -0.082 0.000 0.787 313 E N -0.043 120.134 120.200 -0.037 0.000 2.038 313 E HA -0.225 4.150 4.350 0.041 0.000 0.195 313 E C 1.950 178.551 176.600 0.001 0.000 1.000 313 E CA 1.575 57.959 56.400 -0.025 0.000 0.803 313 E CB -0.855 28.822 29.700 -0.039 0.000 0.750 313 E HN 0.081 nan 8.360 nan 0.000 0.448 314 A N 1.256 124.076 122.820 -0.002 0.000 1.883 314 A HA -0.152 4.193 4.320 0.041 0.000 0.217 314 A C 2.332 179.932 177.584 0.027 0.000 1.186 314 A CA 1.580 53.622 52.037 0.007 0.000 0.624 314 A CB -0.792 18.207 19.000 -0.002 0.000 0.822 314 A HN 0.376 nan 8.150 nan 0.000 0.444 315 L N -0.162 121.084 121.223 0.039 0.000 2.093 315 L HA -0.151 4.213 4.340 0.041 0.000 0.208 315 L C 2.603 179.568 176.870 0.159 0.000 1.085 315 L CA 1.598 56.483 54.840 0.074 0.000 0.755 315 L CB -0.656 41.450 42.059 0.078 0.000 0.904 315 L HN 0.694 nan 8.230 nan 0.000 0.435 316 I N -2.964 117.701 120.570 0.157 0.000 2.546 316 I HA -0.118 4.077 4.170 0.041 0.000 0.255 316 I C 1.906 178.145 176.117 0.203 0.000 1.163 316 I CA 1.194 62.633 61.300 0.232 0.000 1.457 316 I CB -0.389 37.660 38.000 0.082 0.000 1.092 316 I HN 0.154 nan 8.210 nan 0.000 0.434 317 N N 1.376 120.140 118.700 0.107 0.000 2.331 317 N HA -0.099 4.665 4.740 0.041 0.000 0.180 317 N C 1.811 177.358 175.510 0.063 0.000 1.019 317 N CA 2.042 55.138 53.050 0.076 0.000 0.881 317 N CB -0.248 38.263 38.487 0.040 0.000 0.972 317 N HN 0.694 nan 8.380 nan 0.000 0.435 318 T N -3.994 110.587 114.554 0.044 0.000 3.003 318 T HA 0.295 4.670 4.350 0.041 0.000 0.261 318 T C 1.012 175.663 174.700 -0.082 0.000 1.003 318 T CA -0.291 61.803 62.100 -0.009 0.000 0.917 318 T CB -0.024 68.832 68.868 -0.019 0.000 1.084 318 T HN 0.043 nan 8.240 nan 0.000 0.522 319 G N 1.280 110.013 108.800 -0.113 0.000 2.554 319 G HA2 0.368 4.352 3.960 0.041 0.000 0.238 319 G HA3 0.368 4.352 3.960 0.041 0.000 0.238 319 G C -0.936 173.534 174.900 -0.716 0.000 1.259 319 G CA -0.303 44.485 45.100 -0.520 0.000 0.843 319 G HN 0.476 nan 8.290 nan 0.000 0.582 320 D N -0.063 119.855 120.400 -0.803 0.000 2.381 320 D HA 0.438 5.102 4.640 0.041 0.000 0.235 320 D C -0.386 175.535 176.300 -0.632 0.000 1.068 320 D CA -0.718 52.964 54.000 -0.531 0.000 0.832 320 D CB 0.641 41.285 40.800 -0.261 0.000 1.101 320 D HN 0.128 nan 8.370 nan 0.000 0.515 321 F N 2.595 122.551 119.950 0.011 0.000 2.850 321 F HA 0.204 4.755 4.527 0.041 0.000 0.306 321 F C 1.902 177.709 175.800 0.012 0.000 1.162 321 F CA -0.580 57.430 58.000 0.016 0.000 1.327 321 F CB 0.266 39.285 39.000 0.033 0.000 0.953 321 F HN 0.314 nan 8.300 nan 0.000 0.507 322 Q N 0.864 120.710 119.800 0.077 0.000 2.007 322 Q HA -0.232 4.132 4.340 0.041 0.000 0.214 322 Q C 0.483 176.520 176.000 0.061 0.000 1.031 322 Q CA 1.823 57.656 55.803 0.050 0.000 0.886 322 Q CB -0.312 28.429 28.738 0.005 0.000 0.992 322 Q HN 0.333 nan 8.270 nan 0.000 0.415 323 D N -0.066 120.361 120.400 0.046 0.000 3.088 323 D HA 0.247 4.912 4.640 0.041 0.000 0.310 323 D C -0.632 175.696 176.300 0.047 0.000 1.351 323 D CA -0.147 53.875 54.000 0.037 0.000 0.921 323 D CB -0.150 40.658 40.800 0.014 0.000 1.045 323 D HN 0.009 nan 8.370 nan 0.000 0.504 324 L N 0.893 122.169 121.223 0.090 0.000 2.362 324 L HA 0.437 4.802 4.340 0.041 0.000 0.271 324 L C -1.129 175.818 176.870 0.129 0.000 1.002 324 L CA -0.448 54.457 54.840 0.109 0.000 0.818 324 L CB 2.087 44.244 42.059 0.164 0.000 1.298 324 L HN -0.190 nan 8.230 nan 0.000 0.420 325 Q N 3.012 122.906 119.800 0.156 0.000 2.337 325 Q HA 0.807 5.172 4.340 0.041 0.000 0.266 325 Q C -1.471 174.776 176.000 0.412 0.000 1.023 325 Q CA -0.512 55.440 55.803 0.249 0.000 0.829 325 Q CB 2.690 31.542 28.738 0.190 0.000 1.306 325 Q HN 0.490 nan 8.270 nan 0.000 0.449 326 V N 2.255 122.396 119.914 0.377 0.000 2.760 326 V HA 0.520 4.665 4.120 0.041 0.000 0.309 326 V C -1.541 174.544 176.094 -0.015 0.000 1.077 326 V CA -0.872 61.561 62.300 0.221 0.000 0.910 326 V CB 2.076 33.939 31.823 0.066 0.000 1.008 326 V HN 0.620 nan 8.190 nan 0.000 0.424 327 L N 6.749 127.757 121.223 -0.357 0.000 2.325 327 L HA 0.901 5.265 4.340 0.041 0.000 0.281 327 L C -0.518 176.257 176.870 -0.158 0.000 1.004 327 L CA -0.210 54.331 54.840 -0.498 0.000 0.823 327 L CB 1.638 42.939 42.059 -1.264 0.000 1.236 327 L HN 0.602 nan 8.230 nan 0.000 0.415 328 V N 2.033 121.918 119.914 -0.049 0.000 2.962 328 V HA 1.131 5.275 4.120 0.041 0.000 0.313 328 V C -0.137 175.742 176.094 -0.358 0.000 1.099 328 V CA 0.152 62.400 62.300 -0.087 0.000 0.971 328 V CB 1.179 32.916 31.823 -0.144 0.000 1.028 328 V HN 1.078 nan 8.190 nan 0.000 0.430 329 G N 0.761 109.175 108.800 -0.644 0.000 2.495 329 G HA2 0.773 4.758 3.960 0.041 0.000 0.294 329 G HA3 0.773 4.758 3.960 0.041 0.000 0.294 329 G C -1.225 173.350 174.900 -0.543 0.000 1.397 329 G CA 0.026 44.334 45.100 -1.320 0.000 0.790 329 G HN 2.004 nan 8.290 nan 0.000 0.486 330 V N -2.168 117.572 119.914 -0.290 0.000 3.130 330 V HA 0.918 5.062 4.120 0.041 0.000 0.310 330 V C 0.434 176.720 176.094 0.320 0.000 1.158 330 V CA -0.510 61.840 62.300 0.084 0.000 1.029 330 V CB 1.062 32.917 31.823 0.053 0.000 1.057 330 V HN 1.721 nan 8.190 nan 0.000 0.436 331 V N -0.286 119.845 119.914 0.361 0.000 3.234 331 V HA 0.555 4.699 4.120 0.041 0.000 0.317 331 V C 1.351 177.651 176.094 0.344 0.000 1.081 331 V CA -0.091 62.476 62.300 0.446 0.000 1.037 331 V CB 1.241 33.329 31.823 0.441 0.000 1.148 331 V HN 1.060 nan 8.190 nan 0.000 0.453 332 K N -0.517 120.082 120.400 0.332 0.000 2.288 332 K HA -0.004 4.340 4.320 0.041 0.000 0.201 332 K C 0.105 176.840 176.600 0.224 0.000 1.048 332 K CA 1.453 57.887 56.287 0.245 0.000 0.956 332 K CB 0.114 32.733 32.500 0.198 0.000 0.746 332 K HN 0.898 nan 8.250 nan 0.000 0.461 333 D N 1.006 121.552 120.400 0.244 0.000 2.656 333 D HA 0.028 4.692 4.640 0.041 0.000 0.303 333 D C -0.022 176.439 176.300 0.267 0.000 1.199 333 D CA -0.086 54.050 54.000 0.226 0.000 0.797 333 D CB 1.304 42.209 40.800 0.176 0.000 1.170 333 D HN 0.097 nan 8.370 nan 0.000 0.509 334 E N 0.394 120.768 120.200 0.290 0.000 2.153 334 E HA -0.102 4.272 4.350 0.041 0.000 0.194 334 E C 1.879 178.713 176.600 0.391 0.000 0.988 334 E CA 0.697 57.318 56.400 0.369 0.000 0.811 334 E CB 0.227 30.110 29.700 0.306 0.000 0.746 334 E HN 0.413 nan 8.360 nan 0.000 0.466 335 G N 0.815 109.797 108.800 0.303 0.000 2.986 335 G HA2 -0.096 3.889 3.960 0.041 0.000 0.213 335 G HA3 -0.096 3.889 3.960 0.041 0.000 0.213 335 G C 1.646 176.761 174.900 0.357 0.000 1.156 335 G CA 0.631 45.926 45.100 0.326 0.000 0.763 335 G HN 0.320 nan 8.290 nan 0.000 0.547 336 S N -0.095 115.776 115.700 0.284 0.000 2.356 336 S HA -0.197 4.297 4.470 0.041 0.000 0.223 336 S C 2.057 176.743 174.600 0.142 0.000 1.032 336 S CA 1.047 59.379 58.200 0.220 0.000 1.005 336 S CB -0.923 62.304 63.200 0.045 0.000 0.867 336 S HN 0.439 nan 8.310 nan 0.000 0.449 337 Y N 1.113 121.329 120.300 -0.139 0.000 2.241 337 Y HA -0.222 4.353 4.550 0.041 0.000 0.286 337 Y C 1.756 177.525 175.900 -0.219 0.000 1.166 337 Y CA 1.679 59.544 58.100 -0.391 0.000 1.203 337 Y CB -0.268 37.862 38.460 -0.550 0.000 0.977 337 Y HN 0.285 nan 8.280 nan 0.000 0.529 338 F N -0.791 119.298 119.950 0.231 0.000 2.416 338 F HA -0.116 4.435 4.527 0.040 0.000 0.296 338 F C 1.906 177.829 175.800 0.205 0.000 1.099 338 F CA 0.636 58.739 58.000 0.171 0.000 1.427 338 F CB -0.306 38.700 39.000 0.008 0.000 1.079 338 F HN -0.026 nan 8.300 nan 0.000 0.536 339 L N 0.000 121.393 121.223 0.284 0.000 2.083 339 L HA -0.166 4.199 4.340 0.041 0.000 0.209 339 L C 2.455 179.440 176.870 0.192 0.000 1.083 339 L CA 1.159 56.030 54.840 0.053 0.000 0.752 339 L CB -0.947 40.920 42.059 -0.320 0.000 0.899 339 L HN 0.166 nan 8.230 nan 0.000 0.433 340 V N -4.627 115.474 119.914 0.312 0.000 3.141 340 V HA -0.206 3.939 4.120 0.041 0.000 0.265 340 V C 1.562 177.711 176.094 0.091 0.000 1.126 340 V CA 1.118 63.583 62.300 0.275 0.000 1.141 340 V CB -1.060 30.945 31.823 0.304 0.000 0.743 340 V HN 0.347 nan 8.190 nan 0.000 0.492 341 Y N 0.933 121.358 120.300 0.208 0.000 2.458 341 Y HA 0.607 5.182 4.550 0.041 0.000 0.256 341 Y C 2.067 178.050 175.900 0.140 0.000 1.159 341 Y CA 0.479 58.673 58.100 0.157 0.000 1.261 341 Y CB 1.151 39.702 38.460 0.151 0.000 1.119 341 Y HN 0.392 nan 8.280 nan 0.000 0.524 342 G N -1.351 107.605 108.800 0.260 0.000 3.079 342 G HA2 0.079 4.064 3.960 0.041 0.000 0.157 342 G HA3 0.079 4.064 3.960 0.041 0.000 0.157 342 G C -0.688 174.305 174.900 0.156 0.000 1.447 342 G CA -0.138 45.080 45.100 0.196 0.000 0.753 342 G HN -0.096 nan 8.290 nan 0.000 0.989 343 V N 3.188 123.196 119.914 0.157 0.000 2.368 343 V HA 0.361 4.506 4.120 0.041 0.000 0.266 343 V C -2.165 174.100 176.094 0.284 0.000 1.045 343 V CA -1.691 60.708 62.300 0.165 0.000 0.899 343 V CB 1.077 32.915 31.823 0.024 0.000 1.006 343 V HN 0.027 nan 8.190 nan 0.000 0.470 344 P HA 0.235 nan 4.420 nan 0.000 0.264 344 P C 1.021 178.451 177.300 0.217 0.000 1.193 344 P CA 1.290 64.501 63.100 0.185 0.000 0.763 344 P CB 0.618 32.390 31.700 0.121 0.000 0.810 345 G N 1.205 110.076 108.800 0.117 0.000 2.176 345 G HA2 -0.213 3.772 3.960 0.041 0.000 0.232 345 G HA3 -0.213 3.772 3.960 0.041 0.000 0.232 345 G C -0.214 174.540 174.900 -0.243 0.000 0.986 345 G CA -0.612 44.446 45.100 -0.069 0.000 0.643 345 G HN 0.393 nan 8.290 nan 0.000 0.522 346 F N 1.134 121.093 119.950 0.014 0.000 2.480 346 F HA 0.825 5.376 4.527 0.040 0.000 0.329 346 F C 0.532 176.415 175.800 0.138 0.000 1.091 346 F CA -0.185 57.831 58.000 0.027 0.000 0.972 346 F CB 2.398 41.460 39.000 0.103 0.000 1.150 346 F HN 0.215 nan 8.300 nan 0.000 0.467 347 S N 1.270 117.199 115.700 0.381 0.000 2.565 347 S HA 0.258 4.752 4.470 0.041 0.000 0.274 347 S C 0.105 175.019 174.600 0.523 0.000 1.144 347 S CA -0.801 57.635 58.200 0.392 0.000 0.849 347 S CB 1.308 64.640 63.200 0.220 0.000 1.103 347 S HN 0.762 nan 8.310 nan 0.000 0.455 348 K N 0.869 121.476 120.400 0.346 0.000 2.366 348 K HA 0.143 4.487 4.320 0.041 0.000 0.198 348 K C -0.026 176.599 176.600 0.042 0.000 1.044 348 K CA 1.090 57.477 56.287 0.167 0.000 0.973 348 K CB -0.150 32.230 32.500 -0.200 0.000 0.767 348 K HN 0.420 nan 8.250 nan 0.000 0.475 349 D N 1.392 121.803 120.400 0.017 0.000 2.325 349 D HA 0.041 4.706 4.640 0.041 0.000 0.234 349 D C -0.595 175.722 176.300 0.028 0.000 1.122 349 D CA 0.221 54.202 54.000 -0.032 0.000 0.850 349 D CB -0.133 40.637 40.800 -0.050 0.000 0.921 349 D HN 0.543 nan 8.370 nan 0.000 0.513 350 N N -2.181 116.578 118.700 0.099 0.000 3.356 350 N HA 0.008 4.773 4.740 0.041 0.000 0.246 350 N C -0.071 175.485 175.510 0.077 0.000 1.480 350 N CA -0.629 52.455 53.050 0.056 0.000 0.877 350 N CB 0.542 39.020 38.487 -0.015 0.000 1.431 350 N HN -0.299 nan 8.380 nan 0.000 0.500 351 E N -0.348 119.825 120.200 -0.046 0.000 2.478 351 E HA 0.057 4.431 4.350 0.041 0.000 0.198 351 E C -0.548 175.680 176.600 -0.619 0.000 1.046 351 E CA 0.617 56.911 56.400 -0.177 0.000 0.870 351 E CB -0.302 29.338 29.700 -0.099 0.000 0.818 351 E HN 0.523 nan 8.360 nan 0.000 0.527 352 S N 0.444 115.808 115.700 -0.560 0.000 3.711 352 S HA -0.173 4.321 4.470 0.041 0.000 0.374 352 S C -0.014 174.119 174.600 -0.778 0.000 0.969 352 S CA 0.156 57.883 58.200 -0.788 0.000 1.198 352 S CB -1.477 60.968 63.200 -1.259 0.000 0.903 352 S HN 0.294 nan 8.310 nan 0.000 0.493 353 L N 1.982 122.918 121.223 -0.478 0.000 2.283 353 L HA 0.483 4.848 4.340 0.041 0.000 0.287 353 L C 0.765 177.438 176.870 -0.328 0.000 1.073 353 L CA -0.379 54.246 54.840 -0.358 0.000 0.822 353 L CB 0.219 42.143 42.059 -0.225 0.000 1.186 353 L HN 0.443 nan 8.230 nan 0.000 0.436 354 I N 0.240 120.610 120.570 -0.334 0.000 2.783 354 I HA 0.605 4.799 4.170 0.041 0.000 0.312 354 I C 0.695 176.751 176.117 -0.101 0.000 0.988 354 I CA -0.542 60.617 61.300 -0.234 0.000 1.182 354 I CB 1.664 39.528 38.000 -0.226 0.000 1.368 354 I HN 0.558 nan 8.210 nan 0.000 0.511 355 S N 2.595 118.271 115.700 -0.039 0.000 2.681 355 S HA 0.382 4.877 4.470 0.041 0.000 0.270 355 S C 0.943 175.581 174.600 0.064 0.000 1.209 355 S CA -0.527 57.674 58.200 0.001 0.000 0.988 355 S CB 1.558 64.764 63.200 0.011 0.000 1.006 355 S HN 0.841 nan 8.310 nan 0.000 0.558 356 R N 0.423 120.963 120.500 0.066 0.000 2.083 356 R HA -0.072 4.292 4.340 0.041 0.000 0.237 356 R C 2.408 178.808 176.300 0.167 0.000 1.137 356 R CA 1.729 57.906 56.100 0.129 0.000 0.951 356 R CB -1.197 29.153 30.300 0.085 0.000 0.851 356 R HN 0.836 nan 8.270 nan 0.000 0.434 357 A N 0.330 123.213 122.820 0.105 0.000 1.908 357 A HA -0.225 4.119 4.320 0.041 0.000 0.218 357 A C 2.040 179.681 177.584 0.096 0.000 1.181 357 A CA 1.642 53.730 52.037 0.086 0.000 0.627 357 A CB -0.493 18.541 19.000 0.058 0.000 0.818 357 A HN 0.526 nan 8.150 nan 0.000 0.445 358 Q N -2.096 117.773 119.800 0.114 0.000 2.230 358 Q HA -0.051 4.313 4.340 0.041 0.000 0.202 358 Q C 1.778 177.908 176.000 0.217 0.000 0.963 358 Q CA 1.249 57.134 55.803 0.137 0.000 0.866 358 Q CB -0.203 28.600 28.738 0.108 0.000 0.931 358 Q HN 0.829 nan 8.270 nan 0.000 0.452 359 F N 0.688 120.689 119.950 0.085 0.000 2.163 359 F HA -0.114 4.442 4.527 0.047 0.000 0.297 359 F C 1.598 177.447 175.800 0.081 0.000 1.094 359 F CA 0.804 58.863 58.000 0.099 0.000 1.290 359 F CB 0.180 39.222 39.000 0.070 0.000 1.017 359 F HN -0.053 nan 8.300 nan 0.000 0.483 360 L N 0.220 121.380 121.223 -0.105 0.000 2.093 360 L HA -0.133 4.232 4.340 0.041 0.000 0.208 360 L C 2.811 179.610 176.870 -0.119 0.000 1.085 360 L CA 1.098 55.829 54.840 -0.182 0.000 0.755 360 L CB -1.547 40.491 42.059 -0.035 0.000 0.904 360 L HN 0.241 nan 8.230 nan 0.000 0.435 361 A N 0.766 123.568 122.820 -0.031 0.000 1.930 361 A HA -0.038 4.306 4.320 0.041 0.000 0.217 361 A C 2.428 180.009 177.584 -0.006 0.000 1.175 361 A CA 1.503 53.539 52.037 -0.001 0.000 0.627 361 A CB -1.048 17.975 19.000 0.039 0.000 0.815 361 A HN 0.419 nan 8.150 nan 0.000 0.443 362 G N -0.534 108.269 108.800 0.005 0.000 2.408 362 G HA2 -0.074 3.911 3.960 0.041 0.000 0.217 362 G HA3 -0.074 3.911 3.960 0.041 0.000 0.217 362 G C 1.468 176.330 174.900 -0.064 0.000 1.150 362 G CA 1.138 46.247 45.100 0.016 0.000 0.776 362 G HN 0.293 nan 8.290 nan 0.000 0.542 363 V N 1.189 120.995 119.914 -0.180 0.000 2.407 363 V HA -0.146 3.999 4.120 0.041 0.000 0.248 363 V C 2.895 178.938 176.094 -0.086 0.000 1.055 363 V CA 1.621 63.812 62.300 -0.183 0.000 1.049 363 V CB -0.380 31.246 31.823 -0.329 0.000 0.662 363 V HN 0.240 nan 8.190 nan 0.000 0.455 364 R N -0.371 120.088 120.500 -0.068 0.000 2.237 364 R HA 0.079 4.444 4.340 0.041 0.000 0.219 364 R C 1.901 178.189 176.300 -0.020 0.000 1.080 364 R CA 1.112 57.191 56.100 -0.036 0.000 0.995 364 R CB -0.604 29.681 30.300 -0.026 0.000 0.875 364 R HN 0.495 nan 8.270 nan 0.000 0.462 365 I N -1.029 119.532 120.570 -0.014 0.000 2.927 365 I HA 0.026 4.220 4.170 0.041 0.000 0.268 365 I C 2.188 178.306 176.117 0.001 0.000 1.153 365 I CA 0.871 62.172 61.300 0.002 0.000 1.459 365 I CB -0.267 37.747 38.000 0.023 0.000 1.149 365 I HN 0.125 nan 8.210 nan 0.000 0.443 366 G N 0.568 109.365 108.800 -0.006 0.000 2.464 366 G HA2 -0.031 3.954 3.960 0.041 0.000 0.217 366 G HA3 -0.031 3.954 3.960 0.041 0.000 0.217 366 G C 0.840 175.758 174.900 0.030 0.000 1.138 366 G CA 0.444 45.546 45.100 0.003 0.000 0.793 366 G HN 0.211 nan 8.290 nan 0.000 0.539 367 V N 2.190 122.104 119.914 0.000 0.000 2.326 367 V HA 0.219 4.363 4.120 0.041 0.000 0.254 367 V C -1.457 174.635 176.094 -0.003 0.000 1.022 367 V CA -1.070 61.217 62.300 -0.022 0.000 1.074 367 V CB 1.490 33.269 31.823 -0.074 0.000 1.305 367 V HN 0.091 nan 8.190 nan 0.000 0.506 368 P HA -0.112 nan 4.420 nan 0.000 0.226 368 P C 1.033 178.324 177.300 -0.015 0.000 1.153 368 P CA 0.922 64.014 63.100 -0.013 0.000 0.777 368 P CB 0.591 32.273 31.700 -0.030 0.000 0.794 369 Q N -0.498 119.302 119.800 0.000 0.000 2.403 369 Q HA 0.261 4.626 4.340 0.041 0.000 0.203 369 Q C 0.742 176.733 176.000 -0.014 0.000 0.932 369 Q CA -0.048 55.751 55.803 -0.007 0.000 0.945 369 Q CB -0.298 28.446 28.738 0.011 0.000 1.045 369 Q HN 0.168 nan 8.270 nan 0.000 0.511 370 A N 0.509 123.320 122.820 -0.015 0.000 2.363 370 A HA 0.497 4.841 4.320 0.041 0.000 0.270 370 A C 0.366 177.937 177.584 -0.022 0.000 1.121 370 A CA -0.412 51.612 52.037 -0.022 0.000 0.800 370 A CB 0.345 19.335 19.000 -0.018 0.000 1.052 370 A HN 0.340 nan 8.150 nan 0.000 0.493 371 S N 1.749 117.434 115.700 -0.026 0.000 2.626 371 S HA 0.147 4.642 4.470 0.041 0.000 0.257 371 S C 0.381 174.976 174.600 -0.009 0.000 1.288 371 S CA 0.217 58.405 58.200 -0.020 0.000 0.980 371 S CB 0.315 63.499 63.200 -0.026 0.000 0.975 371 S HN 0.618 nan 8.310 nan 0.000 0.577 372 D N 0.122 120.519 120.400 -0.004 0.000 2.104 372 D HA -0.084 4.581 4.640 0.041 0.000 0.194 372 D C 1.766 178.077 176.300 0.018 0.000 0.994 372 D CA 1.040 55.044 54.000 0.006 0.000 0.830 372 D CB -0.486 40.319 40.800 0.007 0.000 0.959 372 D HN 0.393 nan 8.370 nan 0.000 0.452 373 L N 0.610 121.844 121.223 0.018 0.000 2.046 373 L HA -0.059 4.305 4.340 0.041 0.000 0.208 373 L C 2.029 178.931 176.870 0.055 0.000 1.077 373 L CA 1.775 56.637 54.840 0.037 0.000 0.747 373 L CB -0.828 41.248 42.059 0.029 0.000 0.896 373 L HN 0.010 nan 8.230 nan 0.000 0.432 374 A N -0.868 121.966 122.820 0.024 0.000 1.969 374 A HA -0.002 4.342 4.320 0.041 0.000 0.218 374 A C 2.388 180.004 177.584 0.052 0.000 1.169 374 A CA 1.503 53.553 52.037 0.022 0.000 0.635 374 A CB -0.944 18.031 19.000 -0.042 0.000 0.810 374 A HN 0.538 nan 8.150 nan 0.000 0.445 375 A N -0.553 122.286 122.820 0.032 0.000 1.970 375 A HA -0.054 4.291 4.320 0.041 0.000 0.216 375 A C 1.920 179.532 177.584 0.047 0.000 1.170 375 A CA 1.567 53.618 52.037 0.024 0.000 0.645 375 A CB -0.381 18.615 19.000 -0.007 0.000 0.816 375 A HN 0.593 nan 8.150 nan 0.000 0.447 376 E N -0.099 120.140 120.200 0.066 0.000 2.106 376 E HA -0.080 4.294 4.350 0.041 0.000 0.192 376 E C 2.082 178.768 176.600 0.144 0.000 0.984 376 E CA 0.964 57.421 56.400 0.096 0.000 0.806 376 E CB -0.210 29.541 29.700 0.086 0.000 0.750 376 E HN 0.566 nan 8.360 nan 0.000 0.458 377 A N 0.072 122.997 122.820 0.174 0.000 1.930 377 A HA -0.126 4.219 4.320 0.041 0.000 0.217 377 A C 2.344 180.056 177.584 0.213 0.000 1.175 377 A CA 1.189 53.373 52.037 0.245 0.000 0.627 377 A CB -0.481 18.766 19.000 0.412 0.000 0.815 377 A HN 0.200 nan 8.150 nan 0.000 0.443 378 V N -0.485 119.566 119.914 0.229 0.000 2.270 378 V HA -0.224 3.920 4.120 0.041 0.000 0.245 378 V C 2.587 178.840 176.094 0.264 0.000 1.043 378 V CA 1.999 64.416 62.300 0.195 0.000 1.014 378 V CB -0.753 31.158 31.823 0.147 0.000 0.645 378 V HN 0.368 nan 8.190 nan 0.000 0.447 379 V N -0.020 120.005 119.914 0.185 0.000 2.287 379 V HA -0.276 3.868 4.120 0.041 0.000 0.248 379 V C 2.293 178.606 176.094 0.365 0.000 1.053 379 V CA 2.124 64.580 62.300 0.260 0.000 1.027 379 V CB -0.573 31.328 31.823 0.130 0.000 0.646 379 V HN 0.459 nan 8.190 nan 0.000 0.447 380 L N -0.735 120.686 121.223 0.330 0.000 2.201 380 L HA -0.184 4.181 4.340 0.041 0.000 0.212 380 L C 2.482 179.578 176.870 0.377 0.000 1.105 380 L CA 1.793 56.908 54.840 0.458 0.000 0.775 380 L CB -0.747 41.496 42.059 0.307 0.000 0.913 380 L HN 0.472 nan 8.230 nan 0.000 0.440 381 H N -0.961 118.128 119.070 0.032 0.000 2.372 381 H HA -0.133 4.450 4.556 0.044 0.000 0.301 381 H C 1.854 177.072 175.328 -0.182 0.000 1.065 381 H CA 1.677 57.588 56.048 -0.227 0.000 1.364 381 H CB 0.110 29.410 29.762 -0.770 0.000 1.406 381 H HN 0.208 nan 8.280 nan 0.000 0.521 382 Y N 0.030 120.381 120.300 0.085 0.000 2.510 382 Y HA 0.114 4.688 4.550 0.040 0.000 0.273 382 Y C 0.835 176.685 175.900 -0.083 0.000 1.119 382 Y CA 0.429 58.585 58.100 0.093 0.000 1.286 382 Y CB 0.228 38.892 38.460 0.341 0.000 1.061 382 Y HN 0.029 nan 8.280 nan 0.000 0.542 383 T N 1.830 116.357 114.554 -0.046 0.000 2.908 383 T HA -0.105 4.270 4.350 0.041 0.000 0.301 383 T C -0.130 174.192 174.700 -0.631 0.000 1.019 383 T CA -0.024 61.766 62.100 -0.518 0.000 1.152 383 T CB 0.145 68.411 68.868 -1.004 0.000 0.966 383 T HN 0.100 nan 8.240 nan 0.000 0.540 384 D N 2.038 122.111 120.400 -0.546 0.000 2.339 384 D HA 0.061 4.726 4.640 0.041 0.000 0.241 384 D C 0.037 176.039 176.300 -0.497 0.000 1.183 384 D CA -0.478 53.267 54.000 -0.424 0.000 0.859 384 D CB 0.492 41.059 40.800 -0.388 0.000 1.067 384 D HN 0.635 nan 8.370 nan 0.000 0.484 385 W N 3.286 124.495 121.300 -0.153 0.000 2.937 385 W HA 0.079 4.762 4.660 0.038 0.000 0.245 385 W C 2.026 178.428 176.519 -0.194 0.000 1.306 385 W CA -0.346 56.915 57.345 -0.141 0.000 1.470 385 W CB 0.149 29.543 29.460 -0.110 0.000 1.132 385 W HN 0.439 nan 8.180 nan 0.000 0.675 386 L N -1.147 119.970 121.223 -0.176 0.000 2.162 386 L HA -0.044 4.321 4.340 0.041 0.000 0.205 386 L C 0.321 176.818 176.870 -0.621 0.000 1.086 386 L CA 1.131 55.714 54.840 -0.429 0.000 0.778 386 L CB -0.069 41.613 42.059 -0.628 0.000 0.928 386 L HN -0.011 nan 8.230 nan 0.000 0.446 387 H N -1.620 117.311 119.070 -0.232 0.000 2.386 387 H HA 0.168 4.731 4.556 0.012 0.000 0.232 387 H C -1.809 173.335 175.328 -0.307 0.000 1.416 387 H CA -1.439 54.447 56.048 -0.269 0.000 1.285 387 H CB 0.182 29.683 29.762 -0.434 0.000 1.625 387 H HN 0.029 nan 8.280 nan 0.000 0.521 388 P HA -0.154 nan 4.420 nan 0.000 0.218 388 P C 0.603 177.784 177.300 -0.197 0.000 1.149 388 P CA 1.247 64.165 63.100 -0.303 0.000 0.817 388 P CB 0.615 32.196 31.700 -0.199 0.000 0.785 389 E N -0.489 119.657 120.200 -0.090 0.000 2.501 389 E HA 0.055 4.429 4.350 0.041 0.000 0.201 389 E C -0.119 176.458 176.600 -0.038 0.000 1.016 389 E CA -0.221 56.148 56.400 -0.052 0.000 0.920 389 E CB -0.023 29.668 29.700 -0.015 0.000 1.023 389 E HN 0.235 nan 8.360 nan 0.000 0.474 390 D N 2.065 122.449 120.400 -0.027 0.000 2.401 390 D HA 0.010 4.674 4.640 0.041 0.000 0.254 390 D C -1.663 174.628 176.300 -0.016 0.000 1.192 390 D CA -1.798 52.212 54.000 0.016 0.000 0.885 390 D CB 1.342 42.215 40.800 0.121 0.000 1.147 390 D HN -0.183 nan 8.370 nan 0.000 0.478 391 P HA -0.119 nan 4.420 nan 0.000 0.216 391 P C 1.151 178.384 177.300 -0.112 0.000 1.153 391 P CA 1.107 64.153 63.100 -0.091 0.000 0.848 391 P CB 0.168 31.806 31.700 -0.103 0.000 0.787 392 T N -1.668 112.824 114.554 -0.103 0.000 2.708 392 T HA -0.184 4.190 4.350 0.041 0.000 0.266 392 T C 1.547 176.168 174.700 -0.132 0.000 1.037 392 T CA 1.630 63.648 62.100 -0.136 0.000 1.146 392 T CB -1.116 67.653 68.868 -0.164 0.000 0.865 392 T HN 0.266 nan 8.240 nan 0.000 0.435 393 H N 0.683 119.686 119.070 -0.112 0.000 2.290 393 H HA 0.056 4.629 4.556 0.029 0.000 0.298 393 H C 2.220 177.446 175.328 -0.169 0.000 1.087 393 H CA 1.348 57.326 56.048 -0.117 0.000 1.291 393 H CB -0.396 29.288 29.762 -0.130 0.000 1.369 393 H HN 0.170 nan 8.280 nan 0.000 0.492 394 L N 0.135 121.294 121.223 -0.108 0.000 2.042 394 L HA -0.219 4.145 4.340 0.041 0.000 0.210 394 L C 2.782 179.577 176.870 -0.125 0.000 1.076 394 L CA 1.276 55.927 54.840 -0.315 0.000 0.749 394 L CB -0.380 41.520 42.059 -0.266 0.000 0.893 394 L HN 0.278 nan 8.230 nan 0.000 0.432 395 R N 0.500 120.979 120.500 -0.034 0.000 2.073 395 R HA -0.194 4.170 4.340 0.041 0.000 0.234 395 R C 1.677 178.107 176.300 0.218 0.000 1.134 395 R CA 2.183 58.342 56.100 0.099 0.000 0.952 395 R CB -0.455 29.745 30.300 -0.166 0.000 0.850 395 R HN 0.339 nan 8.270 nan 0.000 0.433 396 D N 0.292 120.766 120.400 0.123 0.000 2.219 396 D HA -0.074 4.590 4.640 0.041 0.000 0.205 396 D C 1.667 178.082 176.300 0.191 0.000 0.970 396 D CA 1.332 55.436 54.000 0.174 0.000 0.851 396 D CB -0.101 40.761 40.800 0.103 0.000 0.943 396 D HN 0.394 nan 8.370 nan 0.000 0.488 397 A N 0.505 123.403 122.820 0.131 0.000 1.897 397 A HA -0.109 4.236 4.320 0.041 0.000 0.215 397 A C 2.115 179.836 177.584 0.227 0.000 1.181 397 A CA 1.198 53.341 52.037 0.176 0.000 0.620 397 A CB -0.426 18.556 19.000 -0.030 0.000 0.821 397 A HN 0.123 nan 8.150 nan 0.000 0.443 398 M N 0.330 120.112 119.600 0.303 0.000 2.082 398 M HA -0.138 4.366 4.480 0.041 0.000 0.258 398 M C 2.327 178.712 176.300 0.142 0.000 1.069 398 M CA 2.290 57.788 55.300 0.330 0.000 1.102 398 M CB -0.598 32.246 32.600 0.408 0.000 1.336 398 M HN 0.442 nan 8.290 nan 0.000 0.404 399 S N -0.337 115.474 115.700 0.184 0.000 2.356 399 S HA -0.097 4.397 4.470 0.041 0.000 0.223 399 S C 2.083 176.781 174.600 0.164 0.000 1.032 399 S CA 1.605 59.919 58.200 0.191 0.000 1.005 399 S CB -0.686 62.695 63.200 0.303 0.000 0.867 399 S HN 0.623 nan 8.310 nan 0.000 0.449 400 A N 1.051 123.984 122.820 0.188 0.000 1.883 400 A HA -0.025 4.320 4.320 0.041 0.000 0.217 400 A C 2.402 180.042 177.584 0.093 0.000 1.186 400 A CA 1.922 54.093 52.037 0.224 0.000 0.624 400 A CB -1.281 17.953 19.000 0.390 0.000 0.822 400 A HN 0.481 nan 8.150 nan 0.000 0.444 401 V N -0.300 119.510 119.914 -0.173 0.000 2.252 401 V HA -0.284 3.861 4.120 0.041 0.000 0.249 401 V C 2.604 178.645 176.094 -0.088 0.000 1.056 401 V CA 2.244 64.390 62.300 -0.257 0.000 1.022 401 V CB -0.847 30.841 31.823 -0.224 0.000 0.641 401 V HN 0.400 nan 8.190 nan 0.000 0.445 402 V N 0.646 120.529 119.914 -0.051 0.000 2.343 402 V HA -0.170 3.975 4.120 0.041 0.000 0.247 402 V C 2.573 178.572 176.094 -0.158 0.000 1.051 402 V CA 2.209 64.460 62.300 -0.082 0.000 1.036 402 V CB -1.373 30.451 31.823 0.002 0.000 0.654 402 V HN 0.619 nan 8.190 nan 0.000 0.451 403 G N -0.502 108.277 108.800 -0.035 0.000 2.403 403 G HA2 -0.185 3.799 3.960 0.041 0.000 0.216 403 G HA3 -0.185 3.799 3.960 0.041 0.000 0.216 403 G C 1.203 176.047 174.900 -0.094 0.000 1.154 403 G CA 0.841 45.931 45.100 -0.017 0.000 0.784 403 G HN 0.498 nan 8.290 nan 0.000 0.538 404 D N -0.056 120.304 120.400 -0.066 0.000 2.084 404 D HA -0.088 4.577 4.640 0.041 0.000 0.196 404 D C 2.114 178.104 176.300 -0.518 0.000 0.985 404 D CA 1.225 55.154 54.000 -0.119 0.000 0.826 404 D CB -0.523 40.408 40.800 0.219 0.000 0.978 404 D HN 0.364 nan 8.370 nan 0.000 0.456 405 H N 0.742 119.198 119.070 -1.023 0.000 2.387 405 H HA 0.002 4.582 4.556 0.041 0.000 0.299 405 H C 1.418 176.326 175.328 -0.701 0.000 1.090 405 H CA 1.643 56.897 56.048 -1.324 0.000 1.332 405 H CB 0.070 29.007 29.762 -1.376 0.000 1.386 405 H HN -0.010 nan 8.280 nan 0.000 0.516 406 N N -1.036 117.234 118.700 -0.717 0.000 2.415 406 N HA 0.029 4.794 4.740 0.041 0.000 0.174 406 N C 1.211 176.471 175.510 -0.417 0.000 1.048 406 N CA 0.987 53.539 53.050 -0.830 0.000 0.895 406 N CB 1.122 38.592 38.487 -1.696 0.000 1.036 406 N HN 0.270 nan 8.380 nan 0.000 0.449 407 V N -0.534 119.213 119.914 -0.277 0.000 3.278 407 V HA 0.064 4.208 4.120 0.041 0.000 0.215 407 V C 2.123 178.188 176.094 -0.049 0.000 1.287 407 V CA 0.209 62.483 62.300 -0.043 0.000 1.302 407 V CB -0.106 31.775 31.823 0.097 0.000 1.228 407 V HN -0.182 nan 8.190 nan 0.000 0.523 408 V N 0.013 119.899 119.914 -0.047 0.000 2.332 408 V HA -0.297 3.847 4.120 0.041 0.000 0.248 408 V C 2.444 178.508 176.094 -0.050 0.000 1.055 408 V CA 2.540 64.821 62.300 -0.031 0.000 1.038 408 V CB -0.874 30.961 31.823 0.020 0.000 0.651 408 V HN 0.662 nan 8.190 nan 0.000 0.450 409 c N -0.546 118.012 118.600 -0.071 0.000 2.486 409 c HA 0.047 4.641 4.570 0.041 0.000 0.279 409 c C 0.614 174.672 174.090 -0.053 0.000 1.302 409 c CA 0.808 57.121 56.329 -0.027 0.000 1.720 409 c CB -1.690 40.830 42.510 0.016 0.000 2.030 409 c HN 0.449 nan 8.230 nan 0.000 0.490 410 P HA -0.104 nan 4.420 nan 0.000 0.215 410 P C 1.760 179.000 177.300 -0.100 0.000 1.157 410 P CA 1.502 64.533 63.100 -0.115 0.000 0.874 410 P CB -0.201 31.402 31.700 -0.162 0.000 0.790 411 V N 0.108 119.967 119.914 -0.093 0.000 2.287 411 V HA -0.293 3.852 4.120 0.041 0.000 0.248 411 V C 2.481 178.479 176.094 -0.161 0.000 1.053 411 V CA 2.378 64.607 62.300 -0.118 0.000 1.027 411 V CB -1.720 30.033 31.823 -0.116 0.000 0.646 411 V HN 0.115 nan 8.190 nan 0.000 0.447 412 A N -1.031 121.711 122.820 -0.130 0.000 1.902 412 A HA -0.316 4.028 4.320 0.041 0.000 0.217 412 A C 2.247 179.798 177.584 -0.055 0.000 1.181 412 A CA 2.169 54.140 52.037 -0.110 0.000 0.623 412 A CB -0.554 18.433 19.000 -0.020 0.000 0.818 412 A HN 0.618 nan 8.150 nan 0.000 0.443 413 Q N -1.055 118.725 119.800 -0.034 0.000 2.084 413 Q HA -0.159 4.205 4.340 0.041 0.000 0.202 413 Q C 1.989 177.967 176.000 -0.038 0.000 0.978 413 Q CA 1.606 57.401 55.803 -0.013 0.000 0.844 413 Q CB -0.200 28.530 28.738 -0.014 0.000 0.898 413 Q HN 0.548 nan 8.270 nan 0.000 0.426 414 L N 0.539 121.711 121.223 -0.084 0.000 2.005 414 L HA -0.049 4.316 4.340 0.041 0.000 0.207 414 L C 2.271 179.067 176.870 -0.124 0.000 1.072 414 L CA 2.158 56.933 54.840 -0.109 0.000 0.744 414 L CB -1.008 40.972 42.059 -0.131 0.000 0.895 414 L HN 0.240 nan 8.230 nan 0.000 0.433 415 A N -0.350 122.359 122.820 -0.185 0.000 1.915 415 A HA -0.248 4.097 4.320 0.041 0.000 0.220 415 A C 2.330 179.900 177.584 -0.023 0.000 1.198 415 A CA 2.222 54.101 52.037 -0.263 0.000 0.647 415 A CB -1.764 16.807 19.000 -0.715 0.000 0.825 415 A HN 0.573 nan 8.150 nan 0.000 0.456 416 G N -1.343 107.506 108.800 0.080 0.000 2.402 416 G HA2 -0.165 3.819 3.960 0.041 0.000 0.216 416 G HA3 -0.165 3.819 3.960 0.041 0.000 0.216 416 G C 1.670 176.642 174.900 0.120 0.000 1.162 416 G CA 0.812 46.036 45.100 0.207 0.000 0.777 416 G HN 0.387 nan 8.290 nan 0.000 0.539 417 R N 0.370 120.910 120.500 0.067 0.000 2.073 417 R HA 0.092 4.456 4.340 0.041 0.000 0.234 417 R C 2.689 179.047 176.300 0.097 0.000 1.134 417 R CA 0.590 56.738 56.100 0.080 0.000 0.952 417 R CB -1.301 29.040 30.300 0.069 0.000 0.850 417 R HN 0.402 nan 8.270 nan 0.000 0.433 418 L N 0.272 121.489 121.223 -0.009 0.000 2.013 418 L HA -0.202 4.162 4.340 0.041 0.000 0.212 418 L C 2.593 179.511 176.870 0.079 0.000 1.073 418 L CA 1.687 56.494 54.840 -0.055 0.000 0.753 418 L CB -0.804 41.132 42.059 -0.206 0.000 0.890 418 L HN 0.174 nan 8.230 nan 0.000 0.432 419 A N 0.061 122.937 122.820 0.092 0.000 1.883 419 A HA -0.189 4.155 4.320 0.041 0.000 0.217 419 A C 2.532 180.176 177.584 0.101 0.000 1.186 419 A CA 1.893 53.996 52.037 0.111 0.000 0.624 419 A CB -0.772 18.329 19.000 0.170 0.000 0.822 419 A HN 0.424 nan 8.150 nan 0.000 0.444 420 A N -1.377 121.507 122.820 0.107 0.000 1.972 420 A HA -0.131 4.214 4.320 0.041 0.000 0.219 420 A C 1.884 179.530 177.584 0.103 0.000 1.169 420 A CA 1.731 53.823 52.037 0.092 0.000 0.635 420 A CB -0.310 18.743 19.000 0.089 0.000 0.810 420 A HN 0.542 nan 8.150 nan 0.000 0.446 421 Q N -1.420 118.475 119.800 0.158 0.000 2.217 421 Q HA 0.389 4.754 4.340 0.041 0.000 0.226 421 Q C 0.757 176.868 176.000 0.184 0.000 0.875 421 Q CA 0.606 56.517 55.803 0.180 0.000 0.974 421 Q CB 0.191 29.109 28.738 0.299 0.000 1.079 421 Q HN 0.828 nan 8.270 nan 0.000 0.463 422 G N -0.861 108.021 108.800 0.138 0.000 2.136 422 G HA2 -0.257 3.727 3.960 0.041 0.000 0.242 422 G HA3 -0.257 3.727 3.960 0.041 0.000 0.242 422 G C 0.182 175.162 174.900 0.133 0.000 0.989 422 G CA 0.019 45.184 45.100 0.109 0.000 0.682 422 G HN 0.558 nan 8.290 nan 0.000 0.522 423 A N -0.501 122.415 122.820 0.160 0.000 2.252 423 A HA 0.846 5.191 4.320 0.041 0.000 0.305 423 A C 0.630 178.261 177.584 0.078 0.000 1.097 423 A CA -0.079 52.037 52.037 0.132 0.000 0.849 423 A CB 0.657 19.723 19.000 0.110 0.000 1.142 423 A HN 0.653 nan 8.150 nan 0.000 0.499 424 R N 0.633 121.179 120.500 0.077 0.000 2.255 424 R HA 0.558 4.922 4.340 0.041 0.000 0.326 424 R C -1.707 174.608 176.300 0.025 0.000 0.986 424 R CA -0.195 55.924 56.100 0.031 0.000 0.847 424 R CB 0.797 31.145 30.300 0.081 0.000 1.111 424 R HN 0.493 nan 8.270 nan 0.000 0.452 425 V N 5.170 125.021 119.914 -0.105 0.000 2.604 425 V HA 0.471 4.615 4.120 0.041 0.000 0.305 425 V C -1.213 174.732 176.094 -0.247 0.000 1.043 425 V CA -0.849 61.414 62.300 -0.062 0.000 0.888 425 V CB 1.741 33.578 31.823 0.024 0.000 0.995 425 V HN 0.663 nan 8.190 nan 0.000 0.429 426 Y N 1.783 122.070 120.300 -0.022 0.000 2.406 426 Y HA 0.792 5.366 4.550 0.040 0.000 0.340 426 Y C 0.255 176.262 175.900 0.178 0.000 0.975 426 Y CA -0.493 57.609 58.100 0.004 0.000 1.056 426 Y CB 2.319 40.465 38.460 -0.523 0.000 1.210 426 Y HN 0.816 nan 8.280 nan 0.000 0.448 427 A N 3.067 126.257 122.820 0.615 0.000 2.380 427 A HA 0.898 5.243 4.320 0.041 0.000 0.315 427 A C -1.830 176.122 177.584 0.614 0.000 1.101 427 A CA -0.687 51.591 52.037 0.402 0.000 0.771 427 A CB 1.150 20.213 19.000 0.105 0.000 1.287 427 A HN 0.759 nan 8.150 nan 0.000 0.436 428 Y N -0.921 119.600 120.300 0.368 0.000 2.625 428 Y HA 0.793 5.367 4.550 0.040 0.000 0.338 428 Y C -1.213 174.863 175.900 0.294 0.000 1.123 428 Y CA -1.550 56.725 58.100 0.292 0.000 1.046 428 Y CB 1.297 39.925 38.460 0.281 0.000 1.299 428 Y HN 0.716 nan 8.280 nan 0.000 0.464 429 I N 2.845 123.729 120.570 0.522 0.000 2.466 429 I HA 0.492 4.686 4.170 0.041 0.000 0.289 429 I C -1.898 174.553 176.117 0.556 0.000 1.026 429 I CA -1.019 60.556 61.300 0.459 0.000 1.078 429 I CB 1.201 39.404 38.000 0.338 0.000 1.249 429 I HN 0.720 nan 8.210 nan 0.000 0.429 430 F N 7.194 127.435 119.950 0.484 0.000 2.405 430 F HA 0.427 4.979 4.527 0.041 0.000 0.355 430 F C 0.562 176.525 175.800 0.272 0.000 1.121 430 F CA 0.136 58.369 58.000 0.389 0.000 1.112 430 F CB 0.973 40.231 39.000 0.429 0.000 1.126 430 F HN 0.567 nan 8.300 nan 0.000 0.481 431 E N 2.993 123.057 120.200 -0.226 0.000 2.676 431 E HA -0.019 4.356 4.350 0.041 0.000 0.222 431 E C -0.928 175.561 176.600 -0.186 0.000 0.968 431 E CA -0.169 56.184 56.400 -0.078 0.000 1.090 431 E CB 0.316 29.993 29.700 -0.038 0.000 1.066 431 E HN 0.571 nan 8.360 nan 0.000 0.496 432 H N 1.237 119.965 119.070 -0.570 0.000 2.552 432 H HA 0.256 4.837 4.556 0.041 0.000 0.311 432 H C -0.451 174.846 175.328 -0.052 0.000 1.071 432 H CA -0.496 55.283 56.048 -0.449 0.000 1.307 432 H CB 0.576 29.821 29.762 -0.862 0.000 1.416 432 H HN -0.156 nan 8.280 nan 0.000 0.464 433 R N 4.341 124.495 120.500 -0.576 0.000 2.202 433 R HA 0.466 4.830 4.340 0.041 0.000 0.334 433 R C -0.537 175.531 176.300 -0.387 0.000 1.036 433 R CA -0.586 55.352 56.100 -0.269 0.000 0.878 433 R CB 0.320 30.542 30.300 -0.130 0.000 1.067 433 R HN 0.843 nan 8.270 nan 0.000 0.457 434 A N 3.241 126.140 122.820 0.133 0.000 2.584 434 A HA -0.038 4.306 4.320 0.041 0.000 0.239 434 A C 1.321 179.022 177.584 0.194 0.000 1.043 434 A CA 0.637 52.953 52.037 0.466 0.000 0.756 434 A CB 0.225 19.580 19.000 0.591 0.000 0.963 434 A HN 1.009 nan 8.150 nan 0.000 0.511 435 S N 1.635 117.483 115.700 0.247 0.000 2.442 435 S HA -0.159 4.336 4.470 0.041 0.000 0.236 435 S C 1.391 175.995 174.600 0.006 0.000 1.007 435 S CA 1.551 59.815 58.200 0.107 0.000 0.965 435 S CB -0.739 62.550 63.200 0.148 0.000 0.773 435 S HN 1.234 nan 8.310 nan 0.000 0.504 436 T N -0.896 113.630 114.554 -0.048 0.000 3.107 436 T HA 0.360 4.735 4.350 0.041 0.000 0.249 436 T C 0.356 174.983 174.700 -0.122 0.000 1.096 436 T CA -0.519 61.480 62.100 -0.169 0.000 1.012 436 T CB -0.536 68.083 68.868 -0.414 0.000 0.977 436 T HN 0.216 nan 8.240 nan 0.000 0.527 437 L N 3.750 124.944 121.223 -0.048 0.000 2.540 437 L HA 0.182 4.546 4.340 0.041 0.000 0.276 437 L C 1.660 178.473 176.870 -0.095 0.000 1.212 437 L CA 0.714 55.518 54.840 -0.059 0.000 0.893 437 L CB 0.742 42.779 42.059 -0.037 0.000 1.138 437 L HN 0.399 nan 8.230 nan 0.000 0.491 438 T N -0.578 113.875 114.554 -0.168 0.000 3.057 438 T HA 0.064 4.439 4.350 0.041 0.000 0.254 438 T C 0.287 174.957 174.700 -0.050 0.000 1.094 438 T CA -0.328 61.664 62.100 -0.180 0.000 1.088 438 T CB -0.250 68.338 68.868 -0.468 0.000 0.934 438 T HN 0.391 nan 8.240 nan 0.000 0.497 439 W N 3.483 124.753 121.300 -0.049 0.000 2.184 439 W HA 0.422 5.106 4.660 0.040 0.000 0.338 439 W C -2.011 174.375 176.519 -0.223 0.000 1.257 439 W CA -2.283 54.974 57.345 -0.148 0.000 1.243 439 W CB 0.179 29.442 29.460 -0.328 0.000 1.122 439 W HN -0.050 nan 8.180 nan 0.000 0.585 440 P HA 0.023 nan 4.420 nan 0.000 0.273 440 P C 0.520 177.730 177.300 -0.150 0.000 1.250 440 P CA -0.042 63.010 63.100 -0.080 0.000 0.793 440 P CB 0.957 32.642 31.700 -0.025 0.000 1.011 441 L N -0.156 121.046 121.223 -0.035 0.000 2.131 441 L HA -0.125 4.239 4.340 0.041 0.000 0.210 441 L C 2.566 179.443 176.870 0.011 0.000 1.092 441 L CA 1.381 56.216 54.840 -0.009 0.000 0.759 441 L CB -0.848 41.237 42.059 0.043 0.000 0.903 441 L HN 0.606 nan 8.230 nan 0.000 0.435 442 W N -0.753 120.570 121.300 0.039 0.000 2.465 442 W HA -0.142 4.542 4.660 0.039 0.000 0.268 442 W C 1.714 178.275 176.519 0.070 0.000 1.242 442 W CA 0.482 57.855 57.345 0.047 0.000 1.248 442 W CB -0.741 28.746 29.460 0.046 0.000 1.118 442 W HN 0.166 nan 8.180 nan 0.000 0.587 443 M N 1.417 120.596 119.600 -0.702 0.000 2.630 443 M HA 0.108 4.613 4.480 0.041 0.000 0.254 443 M C 1.832 177.997 176.300 -0.224 0.000 1.092 443 M CA 1.461 56.331 55.300 -0.716 0.000 1.087 443 M CB -0.735 31.275 32.600 -0.984 0.000 1.453 443 M HN 0.208 nan 8.290 nan 0.000 0.509 444 G N 0.750 109.489 108.800 -0.103 0.000 2.596 444 G HA2 -0.297 3.687 3.960 0.041 0.000 0.304 444 G HA3 -0.297 3.687 3.960 0.041 0.000 0.304 444 G C -0.088 174.811 174.900 -0.001 0.000 1.189 444 G CA -0.048 45.049 45.100 -0.006 0.000 0.986 444 G HN 0.255 nan 8.290 nan 0.000 0.548 445 V N 3.770 123.735 119.914 0.085 0.000 2.277 445 V HA 0.485 4.629 4.120 0.041 0.000 0.269 445 V C -1.823 174.405 176.094 0.223 0.000 1.036 445 V CA -0.813 61.595 62.300 0.179 0.000 0.821 445 V CB 1.197 33.189 31.823 0.282 0.000 1.052 445 V HN 0.549 nan 8.190 nan 0.000 0.462 446 P HA 0.217 nan 4.420 nan 0.000 0.278 446 P C -0.268 177.342 177.300 0.517 0.000 1.258 446 P CA -0.629 62.627 63.100 0.258 0.000 0.811 446 P CB 0.399 32.085 31.700 -0.023 0.000 1.063 447 H N 0.609 119.883 119.070 0.340 0.000 3.192 447 H HA 0.203 4.784 4.556 0.040 0.000 0.295 447 H C 1.562 176.987 175.328 0.161 0.000 0.943 447 H CA 2.502 58.694 56.048 0.240 0.000 1.416 447 H CB -0.779 29.076 29.762 0.156 0.000 1.434 447 H HN 0.763 nan 8.280 nan 0.000 0.565 448 G N 3.429 112.131 108.800 -0.163 0.000 2.232 448 G HA2 -0.306 3.678 3.960 0.041 0.000 0.226 448 G HA3 -0.306 3.678 3.960 0.041 0.000 0.226 448 G C 0.627 175.471 174.900 -0.092 0.000 0.996 448 G CA 0.271 45.256 45.100 -0.192 0.000 0.626 448 G HN 0.631 nan 8.290 nan 0.000 0.509 449 Y N 1.785 122.245 120.300 0.266 0.000 2.462 449 Y HA 0.225 4.800 4.550 0.042 0.000 0.293 449 Y C 2.383 178.408 175.900 0.210 0.000 1.195 449 Y CA 1.012 59.292 58.100 0.300 0.000 1.276 449 Y CB 0.400 39.069 38.460 0.348 0.000 1.082 449 Y HN 0.497 nan 8.280 nan 0.000 0.514 450 E N 0.380 120.535 120.200 -0.074 0.000 2.318 450 E HA -0.076 4.299 4.350 0.041 0.000 0.193 450 E C 1.647 178.138 176.600 -0.180 0.000 0.998 450 E CA 0.700 56.729 56.400 -0.619 0.000 0.859 450 E CB -0.444 28.527 29.700 -1.215 0.000 0.812 450 E HN 0.538 nan 8.360 nan 0.000 0.492 451 I N 2.896 123.447 120.570 -0.032 0.000 2.151 451 I HA -0.330 3.864 4.170 0.041 0.000 0.243 451 I C 2.757 178.852 176.117 -0.036 0.000 1.080 451 I CA 2.242 63.557 61.300 0.026 0.000 1.339 451 I CB -0.535 37.533 38.000 0.114 0.000 1.039 451 I HN 0.225 nan 8.210 nan 0.000 0.409 452 E N 1.129 121.248 120.200 -0.136 0.000 2.160 452 E HA -0.251 4.123 4.350 0.041 0.000 0.195 452 E C 2.101 178.446 176.600 -0.424 0.000 0.991 452 E CA 1.582 57.800 56.400 -0.305 0.000 0.810 452 E CB -0.623 28.865 29.700 -0.353 0.000 0.742 452 E HN 0.450 nan 8.360 nan 0.000 0.466 453 F N 1.353 121.189 119.950 -0.189 0.000 2.128 453 F HA -0.086 4.466 4.527 0.042 0.000 0.295 453 F C 2.397 177.968 175.800 -0.382 0.000 1.100 453 F CA 0.650 58.483 58.000 -0.278 0.000 1.260 453 F CB -0.231 38.691 39.000 -0.131 0.000 1.009 453 F HN -0.018 nan 8.300 nan 0.000 0.476 454 I N -0.717 119.706 120.570 -0.245 0.000 2.226 454 I HA -0.284 3.910 4.170 0.041 0.000 0.245 454 I C 2.212 178.095 176.117 -0.391 0.000 1.100 454 I CA 1.600 62.596 61.300 -0.506 0.000 1.374 454 I CB -1.537 36.035 38.000 -0.713 0.000 1.057 454 I HN 0.075 nan 8.210 nan 0.000 0.413 455 F N 0.963 120.730 119.950 -0.305 0.000 2.604 455 F HA 0.130 4.681 4.527 0.040 0.000 0.298 455 F C 1.933 177.591 175.800 -0.238 0.000 1.131 455 F CA 1.066 58.925 58.000 -0.234 0.000 1.457 455 F CB -0.326 38.515 39.000 -0.265 0.000 1.095 455 F HN 0.317 nan 8.300 nan 0.000 0.574 456 G N -0.424 108.219 108.800 -0.262 0.000 2.131 456 G HA2 -0.270 3.715 3.960 0.041 0.000 0.223 456 G HA3 -0.270 3.715 3.960 0.041 0.000 0.223 456 G C 0.940 175.259 174.900 -0.969 0.000 0.990 456 G CA 0.239 45.064 45.100 -0.458 0.000 0.671 456 G HN 0.272 nan 8.290 nan 0.000 0.521 457 L N 0.602 121.297 121.223 -0.879 0.000 2.079 457 L HA 0.056 4.421 4.340 0.041 0.000 0.210 457 L C 0.377 176.730 176.870 -0.861 0.000 1.081 457 L CA 2.708 56.972 54.840 -0.958 0.000 0.752 457 L CB -0.945 40.800 42.059 -0.523 0.000 0.896 457 L HN 0.187 nan 8.230 nan 0.000 0.433 458 P HA -0.170 nan 4.420 nan 0.000 0.224 458 P C 1.477 178.557 177.300 -0.367 0.000 1.142 458 P CA 0.962 63.551 63.100 -0.852 0.000 0.778 458 P CB 0.031 31.234 31.700 -0.829 0.000 0.764 459 L N -1.413 119.537 121.223 -0.455 0.000 2.395 459 L HA 0.005 4.370 4.340 0.041 0.000 0.218 459 L C 0.926 177.748 176.870 -0.079 0.000 1.130 459 L CA 1.024 55.726 54.840 -0.229 0.000 0.826 459 L CB -1.112 40.834 42.059 -0.188 0.000 0.941 459 L HN -0.066 nan 8.230 nan 0.000 0.451 460 D N 0.735 121.061 120.400 -0.122 0.000 2.344 460 D HA 0.051 4.716 4.640 0.041 0.000 0.253 460 D C -1.434 174.898 176.300 0.053 0.000 1.255 460 D CA -1.947 52.096 54.000 0.072 0.000 0.894 460 D CB 1.316 42.195 40.800 0.132 0.000 1.067 460 D HN 0.023 nan 8.370 nan 0.000 0.492 461 P HA -0.147 nan 4.420 nan 0.000 0.218 461 P C 1.135 178.453 177.300 0.031 0.000 1.149 461 P CA 0.751 63.876 63.100 0.042 0.000 0.817 461 P CB 0.041 31.761 31.700 0.032 0.000 0.785 462 S N -0.872 114.844 115.700 0.026 0.000 2.547 462 S HA -0.014 4.480 4.470 0.041 0.000 0.235 462 S C 1.809 176.398 174.600 -0.018 0.000 0.980 462 S CA 0.431 58.632 58.200 0.002 0.000 0.941 462 S CB -1.331 61.870 63.200 0.002 0.000 0.763 462 S HN 0.113 nan 8.310 nan 0.000 0.532 463 L N 0.470 121.694 121.223 0.002 0.000 2.529 463 L HA 0.230 4.594 4.340 0.041 0.000 0.223 463 L C 0.406 177.175 176.870 -0.169 0.000 1.113 463 L CA 0.020 54.829 54.840 -0.051 0.000 0.861 463 L CB -0.486 41.609 42.059 0.059 0.000 1.012 463 L HN 0.271 nan 8.230 nan 0.000 0.461 464 N N -1.974 116.681 118.700 -0.076 0.000 2.901 464 N HA -0.202 4.562 4.740 0.041 0.000 0.248 464 N C -0.407 175.038 175.510 -0.108 0.000 1.044 464 N CA 0.655 53.646 53.050 -0.100 0.000 0.847 464 N CB -1.636 36.768 38.487 -0.139 0.000 1.127 464 N HN 0.252 nan 8.380 nan 0.000 0.562 465 Y N 1.678 121.963 120.300 -0.024 0.000 2.379 465 Y HA 0.129 4.703 4.550 0.040 0.000 0.337 465 Y C 1.998 177.920 175.900 0.037 0.000 1.238 465 Y CA 0.454 58.565 58.100 0.018 0.000 1.405 465 Y CB 0.403 38.863 38.460 -0.001 0.000 1.310 465 Y HN 0.069 nan 8.280 nan 0.000 0.569 466 T N -2.664 112.040 114.554 0.250 0.000 2.802 466 T HA 0.018 4.392 4.350 0.041 0.000 0.305 466 T C 1.355 176.137 174.700 0.136 0.000 1.053 466 T CA -0.072 62.120 62.100 0.155 0.000 1.058 466 T CB 0.991 69.944 68.868 0.140 0.000 0.988 466 T HN 0.854 nan 8.240 nan 0.000 0.539 467 T N -1.237 113.367 114.554 0.085 0.000 2.951 467 T HA -0.054 4.321 4.350 0.041 0.000 0.268 467 T C 1.494 176.229 174.700 0.058 0.000 1.073 467 T CA 1.105 63.242 62.100 0.062 0.000 1.134 467 T CB -0.527 68.365 68.868 0.040 0.000 0.884 467 T HN 0.709 nan 8.240 nan 0.000 0.479 468 E N 1.344 121.580 120.200 0.060 0.000 2.110 468 E HA -0.060 4.314 4.350 0.041 0.000 0.193 468 E C 2.292 178.930 176.600 0.063 0.000 0.988 468 E CA 1.390 57.813 56.400 0.039 0.000 0.804 468 E CB -0.167 29.541 29.700 0.013 0.000 0.745 468 E HN 0.716 nan 8.360 nan 0.000 0.458 469 E N -0.119 120.159 120.200 0.129 0.000 2.216 469 E HA -0.068 4.307 4.350 0.041 0.000 0.192 469 E C 2.023 178.731 176.600 0.181 0.000 0.988 469 E CA 0.117 56.662 56.400 0.242 0.000 0.834 469 E CB 0.106 30.079 29.700 0.455 0.000 0.772 469 E HN 0.026 nan 8.360 nan 0.000 0.479 470 R N 1.033 121.580 120.500 0.078 0.000 2.066 470 R HA -0.101 4.264 4.340 0.041 0.000 0.232 470 R C 2.162 178.462 176.300 0.000 0.000 1.131 470 R CA 1.058 57.153 56.100 -0.009 0.000 0.955 470 R CB -0.330 29.970 30.300 -0.001 0.000 0.851 470 R HN 0.202 nan 8.270 nan 0.000 0.432 471 I N 0.308 120.900 120.570 0.036 0.000 2.286 471 I HA -0.285 3.909 4.170 0.041 0.000 0.248 471 I C 2.237 178.391 176.117 0.062 0.000 1.115 471 I CA 1.060 62.380 61.300 0.032 0.000 1.392 471 I CB -0.320 37.702 38.000 0.037 0.000 1.065 471 I HN 0.117 nan 8.210 nan 0.000 0.418 472 F N 1.679 121.581 119.950 -0.079 0.000 2.206 472 F HA -0.079 4.474 4.527 0.043 0.000 0.298 472 F C 2.391 178.161 175.800 -0.051 0.000 1.090 472 F CA 1.001 58.939 58.000 -0.103 0.000 1.323 472 F CB -0.491 38.373 39.000 -0.226 0.000 1.028 472 F HN -0.013 nan 8.300 nan 0.000 0.492 473 A N 0.354 123.080 122.820 -0.156 0.000 1.883 473 A HA -0.244 4.101 4.320 0.041 0.000 0.217 473 A C 2.168 179.610 177.584 -0.236 0.000 1.186 473 A CA 1.895 53.789 52.037 -0.237 0.000 0.624 473 A CB -0.940 17.944 19.000 -0.193 0.000 0.822 473 A HN 0.592 nan 8.150 nan 0.000 0.444 474 Q N -0.783 118.922 119.800 -0.159 0.000 2.135 474 Q HA -0.191 4.173 4.340 0.041 0.000 0.204 474 Q C 2.365 178.258 176.000 -0.178 0.000 0.981 474 Q CA 1.563 57.285 55.803 -0.136 0.000 0.856 474 Q CB -0.202 28.486 28.738 -0.083 0.000 0.902 474 Q HN 0.623 nan 8.270 nan 0.000 0.425 475 R N 0.261 120.635 120.500 -0.209 0.000 2.073 475 R HA -0.097 4.268 4.340 0.041 0.000 0.234 475 R C 2.330 178.348 176.300 -0.470 0.000 1.134 475 R CA 1.137 57.032 56.100 -0.342 0.000 0.952 475 R CB -0.261 29.923 30.300 -0.194 0.000 0.850 475 R HN 0.254 nan 8.270 nan 0.000 0.433 476 L N -0.039 120.990 121.223 -0.323 0.000 2.072 476 L HA -0.122 4.242 4.340 0.041 0.000 0.205 476 L C 2.514 179.335 176.870 -0.082 0.000 1.079 476 L CA 1.155 55.903 54.840 -0.154 0.000 0.752 476 L CB -0.377 41.444 42.059 -0.397 0.000 0.906 476 L HN 0.224 nan 8.230 nan 0.000 0.436 477 M N -0.501 118.992 119.600 -0.179 0.000 2.149 477 M HA -0.217 4.288 4.480 0.041 0.000 0.261 477 M C 2.354 178.645 176.300 -0.014 0.000 1.064 477 M CA 1.663 56.894 55.300 -0.114 0.000 1.102 477 M CB -0.327 32.193 32.600 -0.132 0.000 1.369 477 M HN 0.099 nan 8.290 nan 0.000 0.408 478 K N -0.226 120.125 120.400 -0.081 0.000 2.026 478 K HA -0.152 4.193 4.320 0.041 0.000 0.208 478 K C 1.924 178.558 176.600 0.057 0.000 1.048 478 K CA 1.696 57.941 56.287 -0.069 0.000 0.929 478 K CB -0.329 32.063 32.500 -0.180 0.000 0.713 478 K HN 0.311 nan 8.250 nan 0.000 0.439 479 Y N -0.234 120.198 120.300 0.220 0.000 2.128 479 Y HA -0.240 4.334 4.550 0.041 0.000 0.284 479 Y C 2.392 178.413 175.900 0.202 0.000 1.154 479 Y CA 0.882 59.128 58.100 0.244 0.000 1.149 479 Y CB -0.842 37.901 38.460 0.471 0.000 0.976 479 Y HN 0.244 nan 8.280 nan 0.000 0.505 480 W N 0.555 121.935 121.300 0.133 0.000 2.358 480 W HA -0.205 4.479 4.660 0.040 0.000 0.303 480 W C 2.414 178.936 176.519 0.005 0.000 1.208 480 W CA 2.194 59.563 57.345 0.040 0.000 1.274 480 W CB -0.516 28.901 29.460 -0.071 0.000 1.138 480 W HN 0.254 nan 8.180 nan 0.000 0.515 481 T N -2.611 112.046 114.554 0.173 0.000 2.978 481 T HA -0.093 4.282 4.350 0.041 0.000 0.262 481 T C 1.440 176.157 174.700 0.029 0.000 1.063 481 T CA 0.931 63.062 62.100 0.052 0.000 1.140 481 T CB -0.559 68.317 68.868 0.014 0.000 0.886 481 T HN -0.098 nan 8.240 nan 0.000 0.470 482 N N 1.025 119.758 118.700 0.055 0.000 2.120 482 N HA -0.017 4.747 4.740 0.041 0.000 0.188 482 N C 1.399 176.894 175.510 -0.025 0.000 1.024 482 N CA 1.016 54.076 53.050 0.017 0.000 0.852 482 N CB -0.702 37.812 38.487 0.045 0.000 1.003 482 N HN 0.430 nan 8.380 nan 0.000 0.424 483 F N 1.862 121.718 119.950 -0.157 0.000 2.091 483 F HA -0.188 4.364 4.527 0.042 0.000 0.299 483 F C 2.227 177.941 175.800 -0.144 0.000 1.103 483 F CA 1.535 59.394 58.000 -0.235 0.000 1.228 483 F CB -0.502 38.273 39.000 -0.374 0.000 0.984 483 F HN 0.049 nan 8.300 nan 0.000 0.477 484 A N 0.418 123.139 122.820 -0.165 0.000 1.902 484 A HA -0.187 4.157 4.320 0.041 0.000 0.217 484 A C 2.348 179.806 177.584 -0.211 0.000 1.181 484 A CA 1.747 53.663 52.037 -0.202 0.000 0.623 484 A CB -0.698 18.259 19.000 -0.073 0.000 0.818 484 A HN 0.468 nan 8.150 nan 0.000 0.443 485 R N -1.092 119.317 120.500 -0.151 0.000 2.075 485 R HA -0.077 4.288 4.340 0.041 0.000 0.232 485 R C 1.898 178.104 176.300 -0.157 0.000 1.126 485 R CA 1.868 57.895 56.100 -0.123 0.000 0.963 485 R CB -0.240 30.016 30.300 -0.074 0.000 0.858 485 R HN 0.736 nan 8.270 nan 0.000 0.435 486 T N -5.818 108.615 114.554 -0.202 0.000 3.009 486 T HA 0.249 4.624 4.350 0.041 0.000 0.267 486 T C 1.210 175.773 174.700 -0.228 0.000 0.942 486 T CA 0.349 62.347 62.100 -0.170 0.000 0.883 486 T CB 1.334 70.138 68.868 -0.107 0.000 1.192 486 T HN 0.325 nan 8.240 nan 0.000 0.524 487 G N 1.430 109.961 108.800 -0.448 0.000 2.162 487 G HA2 -0.185 3.800 3.960 0.041 0.000 0.260 487 G HA3 -0.185 3.800 3.960 0.041 0.000 0.260 487 G C -0.321 174.481 174.900 -0.163 0.000 0.976 487 G CA 0.267 45.041 45.100 -0.544 0.000 0.655 487 G HN 0.818 nan 8.290 nan 0.000 0.533 488 D N -0.539 119.759 120.400 -0.169 0.000 2.686 488 D HA 0.477 5.141 4.640 0.041 0.000 0.249 488 D C -1.586 174.533 176.300 -0.302 0.000 1.260 488 D CA -1.757 52.088 54.000 -0.258 0.000 0.910 488 D CB 2.092 42.848 40.800 -0.074 0.000 1.323 488 D HN 0.014 nan 8.370 nan 0.000 0.561 489 P HA 0.023 nan 4.420 nan 0.000 0.245 489 P C 0.010 177.305 177.300 -0.009 0.000 1.212 489 P CA -0.093 62.811 63.100 -0.326 0.000 0.774 489 P CB 0.348 31.535 31.700 -0.854 0.000 0.999 490 N N 1.611 120.278 118.700 -0.055 0.000 2.508 490 N HA 0.006 4.771 4.740 0.041 0.000 0.264 490 N C 0.002 175.592 175.510 0.133 0.000 1.216 490 N CA 0.379 53.512 53.050 0.138 0.000 0.943 490 N CB 0.395 38.947 38.487 0.108 0.000 1.113 490 N HN -0.029 nan 8.380 nan 0.000 0.447 491 D N 2.361 122.864 120.400 0.172 0.000 2.374 491 D HA 0.100 4.764 4.640 0.041 0.000 0.240 491 D C -1.370 174.975 176.300 0.075 0.000 1.229 491 D CA -1.772 52.290 54.000 0.103 0.000 0.895 491 D CB 0.769 41.624 40.800 0.092 0.000 1.046 491 D HN 0.308 nan 8.370 nan 0.000 0.498 492 P HA -0.118 nan 4.420 nan 0.000 0.231 492 P C 1.013 178.334 177.300 0.036 0.000 1.158 492 P CA 0.756 63.880 63.100 0.040 0.000 0.763 492 P CB 0.288 32.002 31.700 0.024 0.000 0.805 493 R N -0.110 120.411 120.500 0.036 0.000 2.167 493 R HA 0.073 4.437 4.340 0.041 0.000 0.201 493 R C 1.025 177.347 176.300 0.037 0.000 1.024 493 R CA 0.538 56.657 56.100 0.030 0.000 1.053 493 R CB -1.360 28.953 30.300 0.022 0.000 0.987 493 R HN 0.147 nan 8.270 nan 0.000 0.493 494 D N -0.309 120.119 120.400 0.047 0.000 2.382 494 D HA 0.159 4.823 4.640 0.041 0.000 0.245 494 D C 0.566 176.903 176.300 0.062 0.000 1.120 494 D CA 0.644 54.677 54.000 0.055 0.000 0.890 494 D CB 1.692 42.535 40.800 0.071 0.000 1.201 494 D HN 0.210 nan 8.370 nan 0.000 0.433 495 S N 2.088 117.822 115.700 0.056 0.000 2.965 495 S HA 0.152 4.646 4.470 0.041 0.000 0.165 495 S C -0.241 174.398 174.600 0.065 0.000 0.735 495 S CA -0.080 58.154 58.200 0.057 0.000 0.985 495 S CB -0.036 63.191 63.200 0.044 0.000 0.675 495 S HN 0.364 nan 8.310 nan 0.000 0.592 496 K N 2.322 122.755 120.400 0.055 0.000 2.319 496 K HA 0.126 4.471 4.320 0.041 0.000 0.277 496 K C 0.727 177.367 176.600 0.067 0.000 1.111 496 K CA 0.212 56.533 56.287 0.056 0.000 1.093 496 K CB 0.463 32.989 32.500 0.043 0.000 0.910 496 K HN 0.385 nan 8.250 nan 0.000 0.452 497 S N 2.193 117.943 115.700 0.084 0.000 2.591 497 S HA 0.150 4.644 4.470 0.041 0.000 0.235 497 S C -1.371 173.285 174.600 0.093 0.000 1.074 497 S CA -0.387 57.876 58.200 0.105 0.000 0.925 497 S CB -0.793 62.498 63.200 0.152 0.000 0.818 497 S HN 0.451 nan 8.310 nan 0.000 0.535 498 P HA 0.289 nan 4.420 nan 0.000 0.277 498 P C -0.716 176.660 177.300 0.126 0.000 1.276 498 P CA -0.226 62.924 63.100 0.084 0.000 0.788 498 P CB 0.364 32.098 31.700 0.057 0.000 1.114 499 Q N -0.692 119.190 119.800 0.136 0.000 2.352 499 Q HA 0.064 4.429 4.340 0.041 0.000 0.260 499 Q C -0.390 175.769 176.000 0.265 0.000 0.976 499 Q CA 0.265 56.186 55.803 0.196 0.000 0.881 499 Q CB 0.180 29.021 28.738 0.171 0.000 1.235 499 Q HN 0.526 nan 8.270 nan 0.000 0.419 500 W N 5.988 127.345 121.300 0.094 0.000 2.437 500 W HA 0.286 4.972 4.660 0.043 0.000 0.312 500 W C -2.461 174.196 176.519 0.230 0.000 1.242 500 W CA -2.460 54.953 57.345 0.114 0.000 1.340 500 W CB 0.192 29.673 29.460 0.035 0.000 1.327 500 W HN 0.405 nan 8.180 nan 0.000 0.476 501 P HA 0.336 nan 4.420 nan 0.000 0.282 501 P C -2.630 174.842 177.300 0.287 0.000 1.259 501 P CA -1.919 61.394 63.100 0.355 0.000 0.826 501 P CB 0.570 32.393 31.700 0.205 0.000 1.064 502 P HA 0.061 nan 4.420 nan 0.000 0.268 502 P C -0.662 176.607 177.300 -0.052 0.000 1.205 502 P CA 0.050 62.922 63.100 -0.379 0.000 0.771 502 P CB 0.037 31.498 31.700 -0.398 0.000 0.858 503 Y N 3.060 123.296 120.300 -0.106 0.000 2.442 503 Y HA 0.303 4.878 4.550 0.040 0.000 0.330 503 Y C 0.533 176.421 175.900 -0.019 0.000 1.129 503 Y CA 0.850 58.961 58.100 0.017 0.000 1.365 503 Y CB 0.215 38.713 38.460 0.063 0.000 1.233 503 Y HN 0.434 nan 8.280 nan 0.000 0.529 504 T N 0.089 114.373 114.554 -0.451 0.000 2.883 504 T HA 0.275 4.649 4.350 0.041 0.000 0.296 504 T C 0.813 175.287 174.700 -0.378 0.000 1.117 504 T CA -0.216 61.730 62.100 -0.256 0.000 1.006 504 T CB 1.251 70.038 68.868 -0.136 0.000 1.191 504 T HN 0.616 nan 8.240 nan 0.000 0.508 505 T N -0.838 113.645 114.554 -0.117 0.000 2.857 505 T HA 0.097 4.471 4.350 0.041 0.000 0.266 505 T C 2.222 176.880 174.700 -0.070 0.000 1.048 505 T CA 0.876 62.944 62.100 -0.054 0.000 1.139 505 T CB -0.823 68.065 68.868 0.033 0.000 0.874 505 T HN 0.882 nan 8.240 nan 0.000 0.455 506 A N 2.390 125.170 122.820 -0.067 0.000 1.824 506 A HA 0.332 4.677 4.320 0.041 0.000 0.215 506 A C 2.832 180.372 177.584 -0.072 0.000 1.209 506 A CA 2.030 54.037 52.037 -0.050 0.000 0.614 506 A CB -1.539 17.440 19.000 -0.034 0.000 0.852 506 A HN 0.715 nan 8.150 nan 0.000 0.447 507 A N -2.631 120.128 122.820 -0.101 0.000 1.929 507 A HA 0.083 4.427 4.320 0.041 0.000 0.216 507 A C 1.189 178.697 177.584 -0.127 0.000 1.176 507 A CA 1.415 53.399 52.037 -0.088 0.000 0.628 507 A CB -0.412 18.547 19.000 -0.067 0.000 0.816 507 A HN 0.675 nan 8.150 nan 0.000 0.444 508 Q N -1.090 118.523 119.800 -0.310 0.000 2.493 508 Q HA -0.192 4.173 4.340 0.041 0.000 0.278 508 Q C -0.779 175.152 176.000 -0.114 0.000 1.216 508 Q CA 0.626 56.151 55.803 -0.465 0.000 0.875 508 Q CB -1.838 26.826 28.738 -0.124 0.000 1.262 508 Q HN 0.863 nan 8.270 nan 0.000 0.468 509 Q N 0.589 120.336 119.800 -0.087 0.000 2.304 509 Q HA 0.409 4.774 4.340 0.041 0.000 0.260 509 Q C -0.366 175.878 176.000 0.406 0.000 0.965 509 Q CA 0.088 55.966 55.803 0.125 0.000 0.898 509 Q CB 0.457 29.230 28.738 0.060 0.000 1.196 509 Q HN 0.312 nan 8.270 nan 0.000 0.402 510 Y N -0.903 119.530 120.300 0.223 0.000 2.634 510 Y HA 0.774 5.348 4.550 0.039 0.000 0.340 510 Y C -0.843 175.072 175.900 0.025 0.000 1.058 510 Y CA -1.563 56.671 58.100 0.224 0.000 1.081 510 Y CB 0.611 39.210 38.460 0.232 0.000 1.295 510 Y HN 0.326 nan 8.280 nan 0.000 0.487 511 V N -0.664 119.180 119.914 -0.117 0.000 2.864 511 V HA 0.819 4.964 4.120 0.041 0.000 0.314 511 V C -0.355 175.634 176.094 -0.176 0.000 1.073 511 V CA -0.675 61.393 62.300 -0.385 0.000 0.956 511 V CB 1.329 32.636 31.823 -0.860 0.000 1.023 511 V HN 1.177 nan 8.190 nan 0.000 0.435 512 S N 3.616 119.219 115.700 -0.162 0.000 2.475 512 S HA 0.675 5.170 4.470 0.041 0.000 0.281 512 S C -0.429 174.133 174.600 -0.063 0.000 1.198 512 S CA -0.648 57.532 58.200 -0.033 0.000 1.063 512 S CB 0.496 63.676 63.200 -0.033 0.000 0.972 512 S HN 0.765 nan 8.310 nan 0.000 0.486 513 L N 4.468 125.709 121.223 0.030 0.000 2.259 513 L HA 0.484 4.849 4.340 0.041 0.000 0.288 513 L C 0.034 176.835 176.870 -0.115 0.000 1.051 513 L CA -0.383 54.505 54.840 0.079 0.000 0.824 513 L CB -0.311 41.894 42.059 0.243 0.000 1.206 513 L HN 0.946 nan 8.230 nan 0.000 0.429 514 N N 2.166 120.738 118.700 -0.212 0.000 3.449 514 N HA 0.322 5.086 4.740 0.041 0.000 0.312 514 N C 0.110 175.102 175.510 -0.864 0.000 1.582 514 N CA -0.943 51.720 53.050 -0.646 0.000 0.850 514 N CB 0.622 38.890 38.487 -0.364 0.000 1.822 514 N HN 0.184 nan 8.380 nan 0.000 0.577 515 L N -0.759 119.972 121.223 -0.821 0.000 2.291 515 L HA 0.146 4.511 4.340 0.041 0.000 0.214 515 L C 0.661 177.363 176.870 -0.280 0.000 1.120 515 L CA 0.764 55.218 54.840 -0.644 0.000 0.799 515 L CB -0.433 41.337 42.059 -0.483 0.000 0.925 515 L HN 0.399 nan 8.230 nan 0.000 0.446 516 K N 0.407 120.682 120.400 -0.208 0.000 2.180 516 K HA 0.209 4.554 4.320 0.041 0.000 0.251 516 K C -2.128 174.437 176.600 -0.059 0.000 1.014 516 K CA -1.757 54.468 56.287 -0.105 0.000 0.913 516 K CB -0.057 32.391 32.500 -0.087 0.000 1.008 516 K HN -0.183 nan 8.250 nan 0.000 0.490 517 P HA 0.008 nan 4.420 nan 0.000 0.271 517 P C -0.304 177.000 177.300 0.008 0.000 1.233 517 P CA -0.209 62.905 63.100 0.023 0.000 0.789 517 P CB 0.384 32.099 31.700 0.025 0.000 0.951 518 L N 0.939 122.181 121.223 0.032 0.000 2.543 518 L HA -0.009 4.355 4.340 0.041 0.000 0.285 518 L C 1.065 177.898 176.870 -0.062 0.000 1.236 518 L CA 0.909 55.726 54.840 -0.039 0.000 0.871 518 L CB -0.176 41.855 42.059 -0.046 0.000 1.121 518 L HN 0.484 nan 8.230 nan 0.000 0.501 519 E N 2.286 122.419 120.200 -0.112 0.000 2.256 519 E HA 0.404 4.779 4.350 0.041 0.000 0.268 519 E C -1.550 174.949 176.600 -0.168 0.000 0.877 519 E CA -0.757 55.579 56.400 -0.107 0.000 0.757 519 E CB 2.111 31.757 29.700 -0.090 0.000 1.183 519 E HN 0.278 nan 8.360 nan 0.000 0.418 520 V N 4.850 124.679 119.914 -0.142 0.000 2.432 520 V HA 0.453 4.597 4.120 0.041 0.000 0.275 520 V C 0.216 176.171 176.094 -0.231 0.000 1.043 520 V CA -0.318 61.876 62.300 -0.178 0.000 0.925 520 V CB 0.979 32.755 31.823 -0.079 0.000 0.985 520 V HN 0.653 nan 8.190 nan 0.000 0.466 521 R N 3.799 124.036 120.500 -0.438 0.000 2.892 521 R HA 0.742 5.107 4.340 0.041 0.000 0.265 521 R C -0.781 175.294 176.300 -0.375 0.000 1.025 521 R CA -1.012 54.804 56.100 -0.474 0.000 0.982 521 R CB 2.491 32.346 30.300 -0.742 0.000 1.185 521 R HN 0.591 nan 8.270 nan 0.000 0.484 522 R N 0.110 120.565 120.500 -0.075 0.000 2.480 522 R HA 0.491 4.855 4.340 0.041 0.000 0.306 522 R C -0.809 175.667 176.300 0.293 0.000 0.958 522 R CA -0.486 55.680 56.100 0.111 0.000 0.861 522 R CB 2.175 32.504 30.300 0.049 0.000 1.171 522 R HN 0.898 nan 8.270 nan 0.000 0.445 523 G N 2.526 111.571 108.800 0.407 0.000 3.405 523 G HA2 -0.194 3.790 3.960 0.041 0.000 0.676 523 G HA3 -0.194 3.790 3.960 0.041 0.000 0.676 523 G C -1.183 173.912 174.900 0.326 0.000 1.039 523 G CA -0.977 44.311 45.100 0.313 0.000 0.855 523 G HN 0.371 nan 8.290 nan 0.000 0.443 524 L N 4.204 125.499 121.223 0.119 0.000 2.356 524 L HA 0.506 4.871 4.340 0.041 0.000 0.282 524 L C 1.630 178.510 176.870 0.017 0.000 1.132 524 L CA -0.315 54.423 54.840 -0.170 0.000 0.923 524 L CB -0.219 41.655 42.059 -0.309 0.000 1.278 524 L HN 0.681 nan 8.230 nan 0.000 0.436 525 R N 2.753 123.305 120.500 0.086 0.000 3.251 525 R HA -0.282 4.083 4.340 0.041 0.000 0.249 525 R C 1.284 177.680 176.300 0.160 0.000 0.949 525 R CA 0.677 56.863 56.100 0.143 0.000 0.645 525 R CB -2.133 28.267 30.300 0.167 0.000 1.065 525 R HN 0.736 nan 8.270 nan 0.000 0.452 526 A N 0.691 123.602 122.820 0.151 0.000 1.883 526 A HA -0.239 4.106 4.320 0.041 0.000 0.217 526 A C 2.098 179.772 177.584 0.150 0.000 1.186 526 A CA 1.235 53.360 52.037 0.147 0.000 0.624 526 A CB -0.083 18.998 19.000 0.134 0.000 0.822 526 A HN 0.403 nan 8.150 nan 0.000 0.444 527 Q N -0.733 119.152 119.800 0.143 0.000 2.046 527 Q HA -0.094 4.271 4.340 0.041 0.000 0.200 527 Q C 2.240 178.354 176.000 0.190 0.000 0.975 527 Q CA 2.006 57.894 55.803 0.142 0.000 0.836 527 Q CB -1.172 27.632 28.738 0.111 0.000 0.896 527 Q HN 0.640 nan 8.270 nan 0.000 0.428 528 T N 0.566 115.254 114.554 0.223 0.000 2.821 528 T HA -0.116 4.259 4.350 0.041 0.000 0.267 528 T C 2.014 176.936 174.700 0.370 0.000 1.046 528 T CA 1.143 63.409 62.100 0.276 0.000 1.139 528 T CB -0.230 68.835 68.868 0.329 0.000 0.871 528 T HN 0.311 nan 8.240 nan 0.000 0.454 529 c N 1.447 120.252 118.600 0.341 0.000 2.450 529 c HA 0.259 4.854 4.570 0.041 0.000 0.279 529 c C 3.139 177.400 174.090 0.286 0.000 1.335 529 c CA 0.003 56.550 56.329 0.363 0.000 1.749 529 c CB -1.323 41.329 42.510 0.236 0.000 1.963 529 c HN 0.641 nan 8.230 nan 0.000 0.501 530 A N 0.202 123.153 122.820 0.218 0.000 1.978 530 A HA -0.220 4.124 4.320 0.041 0.000 0.220 530 A C 1.861 179.553 177.584 0.179 0.000 1.170 530 A CA 1.720 53.861 52.037 0.173 0.000 0.636 530 A CB -0.777 18.309 19.000 0.143 0.000 0.810 530 A HN 0.573 nan 8.150 nan 0.000 0.448 531 F N -0.915 119.032 119.950 -0.004 0.000 2.075 531 F HA -0.158 4.396 4.527 0.044 0.000 0.297 531 F C 1.978 177.742 175.800 -0.059 0.000 1.113 531 F CA 1.742 59.661 58.000 -0.135 0.000 1.218 531 F CB -0.589 38.080 39.000 -0.552 0.000 0.984 531 F HN 0.379 nan 8.300 nan 0.000 0.472 532 W N 0.653 121.922 121.300 -0.053 0.000 2.379 532 W HA -0.149 4.535 4.660 0.039 0.000 0.307 532 W C 2.238 178.700 176.519 -0.096 0.000 1.200 532 W CA 1.035 58.309 57.345 -0.118 0.000 1.297 532 W CB -0.558 28.961 29.460 0.099 0.000 1.140 532 W HN -0.030 nan 8.180 nan 0.000 0.507 533 N N -0.426 118.401 118.700 0.212 0.000 2.376 533 N HA 0.012 4.776 4.740 0.041 0.000 0.177 533 N C 1.506 177.048 175.510 0.054 0.000 1.024 533 N CA 1.001 54.121 53.050 0.117 0.000 0.893 533 N CB -0.236 38.319 38.487 0.113 0.000 0.980 533 N HN 0.237 nan 8.380 nan 0.000 0.439 534 R N -1.461 119.070 120.500 0.053 0.000 2.194 534 R HA 0.228 4.593 4.340 0.041 0.000 0.194 534 R C 1.392 177.706 176.300 0.025 0.000 0.985 534 R CA 0.007 56.135 56.100 0.046 0.000 1.104 534 R CB -0.084 30.268 30.300 0.087 0.000 1.092 534 R HN 0.062 nan 8.270 nan 0.000 0.555 535 F N 1.272 121.134 119.950 -0.147 0.000 2.188 535 F HA 0.073 4.625 4.527 0.042 0.000 0.289 535 F C 1.897 177.537 175.800 -0.267 0.000 1.082 535 F CA 0.783 58.674 58.000 -0.181 0.000 1.282 535 F CB -0.168 38.738 39.000 -0.157 0.000 1.060 535 F HN -0.144 nan 8.300 nan 0.000 0.493 536 L N 1.216 122.117 121.223 -0.535 0.000 2.043 536 L HA -0.154 4.210 4.340 0.041 0.000 0.212 536 L C -0.512 176.119 176.870 -0.399 0.000 1.075 536 L CA 2.294 56.776 54.840 -0.597 0.000 0.752 536 L CB -2.185 39.509 42.059 -0.608 0.000 0.891 536 L HN 0.098 nan 8.230 nan 0.000 0.432 537 P HA -0.197 nan 4.420 nan 0.000 0.216 537 P C 1.467 178.631 177.300 -0.227 0.000 1.153 537 P CA 1.582 64.573 63.100 -0.181 0.000 0.858 537 P CB -0.032 31.601 31.700 -0.111 0.000 0.789 538 K N -1.213 119.008 120.400 -0.298 0.000 2.147 538 K HA -0.116 4.228 4.320 0.041 0.000 0.205 538 K C 1.919 178.296 176.600 -0.372 0.000 1.049 538 K CA 0.872 56.982 56.287 -0.295 0.000 0.936 538 K CB -0.680 31.650 32.500 -0.284 0.000 0.722 538 K HN 0.081 nan 8.250 nan 0.000 0.446 539 L N 1.073 121.956 121.223 -0.566 0.000 2.095 539 L HA -0.067 4.298 4.340 0.041 0.000 0.204 539 L C 1.800 178.519 176.870 -0.253 0.000 1.080 539 L CA 1.404 55.955 54.840 -0.480 0.000 0.759 539 L CB -0.230 41.449 42.059 -0.634 0.000 0.914 539 L HN 0.073 nan 8.230 nan 0.000 0.439 540 L N -0.644 120.446 121.223 -0.222 0.000 2.056 540 L HA -0.129 4.235 4.340 0.041 0.000 0.207 540 L C 2.405 179.208 176.870 -0.111 0.000 1.078 540 L CA 1.329 56.088 54.840 -0.136 0.000 0.749 540 L CB -0.731 41.261 42.059 -0.112 0.000 0.901 540 L HN 0.465 nan 8.230 nan 0.000 0.433 541 S N -0.363 115.264 115.700 -0.121 0.000 2.660 541 S HA 0.098 4.593 4.470 0.041 0.000 0.228 541 S C 1.082 175.634 174.600 -0.080 0.000 0.966 541 S CA 0.452 58.597 58.200 -0.091 0.000 0.940 541 S CB -0.080 63.067 63.200 -0.087 0.000 0.773 541 S HN 0.304 nan 8.310 nan 0.000 0.535 542 A N 0.236 123.003 122.820 -0.089 0.000 2.594 542 A HA 0.585 4.930 4.320 0.041 0.000 0.292 542 A C 0.554 178.102 177.584 -0.060 0.000 1.026 542 A CA -0.136 51.861 52.037 -0.067 0.000 0.983 542 A CB -0.421 18.538 19.000 -0.068 0.000 1.233 542 A HN 0.408 nan 8.150 nan 0.000 0.519 543 T N 0.000 114.517 114.554 -0.062 0.000 3.816 543 T HA 0.000 4.374 4.350 0.041 0.000 0.228 543 T CA 0.000 62.069 62.100 -0.052 0.000 1.349 543 T CB 0.000 68.846 68.868 -0.037 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658