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 2jey_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 A 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 0.000 176.622 176.600 0.036 0.000 1.382 4 E CA 0.000 56.416 56.400 0.027 0.000 0.976 4 E CB 0.000 29.714 29.700 0.024 0.000 0.812 5 D N 3.561 123.990 120.400 0.048 0.000 2.402 5 D HA 0.022 4.693 4.640 0.052 0.000 0.268 5 D C -1.334 174.997 176.300 0.052 0.000 1.294 5 D CA -1.536 52.505 54.000 0.069 0.000 0.945 5 D CB 1.208 42.077 40.800 0.114 0.000 1.112 5 D HN 0.221 nan 8.370 nan 0.000 0.517 6 P HA -0.082 nan 4.420 nan 0.000 0.242 6 P C 0.943 178.239 177.300 -0.006 0.000 1.197 6 P CA 0.376 63.484 63.100 0.014 0.000 0.765 6 P CB 0.545 32.246 31.700 0.001 0.000 0.936 7 Q N -0.133 119.644 119.800 -0.038 0.000 2.230 7 Q HA 0.069 4.440 4.340 0.052 0.000 0.202 7 Q C 1.832 177.854 176.000 0.037 0.000 0.963 7 Q CA 0.905 56.632 55.803 -0.127 0.000 0.866 7 Q CB -0.242 28.201 28.738 -0.491 0.000 0.931 7 Q HN 0.418 nan 8.270 nan 0.000 0.452 8 L N 0.380 121.653 121.223 0.084 0.000 2.653 8 L HA 0.230 4.601 4.340 0.052 0.000 0.232 8 L C 0.416 177.464 176.870 0.297 0.000 1.169 8 L CA -0.034 54.895 54.840 0.149 0.000 0.951 8 L CB 0.157 42.235 42.059 0.033 0.000 1.181 8 L HN -0.016 nan 8.230 nan 0.000 0.460 9 L N 1.018 122.365 121.223 0.207 0.000 2.377 9 L HA 0.516 4.887 4.340 0.052 0.000 0.270 9 L C -1.027 175.843 176.870 0.001 0.000 0.991 9 L CA -0.363 54.552 54.840 0.126 0.000 0.851 9 L CB 1.995 44.091 42.059 0.063 0.000 1.218 9 L HN -0.189 nan 8.230 nan 0.000 0.420 10 V N 3.940 123.807 119.914 -0.079 0.000 2.628 10 V HA 0.505 4.656 4.120 0.052 0.000 0.306 10 V C -0.187 175.798 176.094 -0.181 0.000 1.045 10 V CA -0.786 61.309 62.300 -0.343 0.000 0.905 10 V CB 2.152 33.387 31.823 -0.981 0.000 0.997 10 V HN 0.688 nan 8.190 nan 0.000 0.436 11 R N 3.184 123.564 120.500 -0.200 0.000 2.239 11 R HA 0.658 5.029 4.340 0.052 0.000 0.332 11 R C -0.634 175.570 176.300 -0.160 0.000 0.988 11 R CA -0.377 55.651 56.100 -0.121 0.000 0.859 11 R CB 1.223 31.459 30.300 -0.106 0.000 1.148 11 R HN 0.709 nan 8.270 nan 0.000 0.482 12 V N 1.864 121.736 119.914 -0.070 0.000 3.369 12 V HA 0.374 4.525 4.120 0.052 0.000 0.309 12 V C 1.435 177.452 176.094 -0.129 0.000 1.069 12 V CA -0.831 61.432 62.300 -0.062 0.000 1.042 12 V CB 1.300 33.246 31.823 0.204 0.000 1.192 12 V HN 0.767 nan 8.190 nan 0.000 0.447 13 R N 1.194 121.600 120.500 -0.156 0.000 2.139 13 R HA -0.102 4.269 4.340 0.052 0.000 0.243 13 R C 1.979 178.130 176.300 -0.249 0.000 1.145 13 R CA 1.700 57.700 56.100 -0.167 0.000 0.976 13 R CB -0.901 29.320 30.300 -0.132 0.000 0.866 13 R HN 0.983 nan 8.270 nan 0.000 0.449 14 G N -0.540 108.053 108.800 -0.347 0.000 2.985 14 G HA2 0.306 4.297 3.960 0.052 0.000 0.209 14 G HA3 0.306 4.297 3.960 0.052 0.000 0.209 14 G C 0.516 174.388 174.900 -1.714 0.000 1.165 14 G CA 0.539 45.130 45.100 -0.848 0.000 0.776 14 G HN 0.617 nan 8.290 nan 0.000 0.541 15 G N -0.731 107.468 108.800 -1.002 0.000 2.265 15 G HA2 -0.020 3.971 3.960 0.052 0.000 0.246 15 G HA3 -0.020 3.971 3.960 0.052 0.000 0.246 15 G C -1.011 173.814 174.900 -0.126 0.000 1.299 15 G CA -0.869 43.765 45.100 -0.776 0.000 1.117 15 G HN 0.373 nan 8.290 nan 0.000 0.485 16 Q N -0.376 119.563 119.800 0.232 0.000 2.245 16 Q HA 0.736 5.108 4.340 0.052 0.000 0.256 16 Q C -0.574 175.724 176.000 0.498 0.000 0.942 16 Q CA -0.512 55.480 55.803 0.315 0.000 0.896 16 Q CB 2.153 30.992 28.738 0.170 0.000 1.272 16 Q HN 0.478 nan 8.270 nan 0.000 0.442 17 L N 1.655 123.072 121.223 0.324 0.000 2.362 17 L HA 0.600 4.972 4.340 0.052 0.000 0.271 17 L C -0.478 176.551 176.870 0.264 0.000 1.002 17 L CA -0.751 54.276 54.840 0.312 0.000 0.818 17 L CB 2.063 44.341 42.059 0.365 0.000 1.298 17 L HN 0.442 nan 8.230 nan 0.000 0.420 18 R N 1.350 121.982 120.500 0.219 0.000 2.288 18 R HA 0.557 4.929 4.340 0.052 0.000 0.326 18 R C 0.043 176.434 176.300 0.152 0.000 0.959 18 R CA -0.307 55.900 56.100 0.178 0.000 0.834 18 R CB 1.288 31.639 30.300 0.085 0.000 1.157 18 R HN 0.789 nan 8.270 nan 0.000 0.470 19 G N 3.316 112.210 108.800 0.156 0.000 2.588 19 G HA2 0.303 4.294 3.960 0.052 0.000 0.278 19 G HA3 0.303 4.294 3.960 0.052 0.000 0.278 19 G C -0.734 173.985 174.900 -0.302 0.000 1.307 19 G CA -0.647 44.230 45.100 -0.373 0.000 1.016 19 G HN 0.637 nan 8.290 nan 0.000 0.503 20 I N -1.152 119.180 120.570 -0.398 0.000 2.689 20 I HA 0.517 4.719 4.170 0.052 0.000 0.299 20 I C 0.069 176.060 176.117 -0.209 0.000 1.059 20 I CA -1.267 59.891 61.300 -0.237 0.000 1.055 20 I CB 1.963 39.828 38.000 -0.225 0.000 1.243 20 I HN 0.458 nan 8.210 nan 0.000 0.425 21 R N 8.137 128.580 120.500 -0.094 0.000 2.202 21 R HA 0.490 4.861 4.340 0.052 0.000 0.334 21 R C -1.943 174.308 176.300 -0.081 0.000 1.036 21 R CA -0.391 55.690 56.100 -0.032 0.000 0.878 21 R CB 0.545 30.844 30.300 -0.002 0.000 1.067 21 R HN 0.713 nan 8.270 nan 0.000 0.457 22 L N 4.500 125.683 121.223 -0.066 0.000 2.331 22 L HA 0.433 4.805 4.340 0.052 0.000 0.275 22 L C 0.009 176.839 176.870 -0.067 0.000 1.022 22 L CA -1.208 53.592 54.840 -0.066 0.000 0.812 22 L CB 1.845 43.882 42.059 -0.037 0.000 1.257 22 L HN 0.494 nan 8.230 nan 0.000 0.435 23 K N 2.433 122.791 120.400 -0.072 0.000 2.258 23 K HA 0.611 4.963 4.320 0.052 0.000 0.284 23 K C -0.452 176.107 176.600 -0.069 0.000 1.051 23 K CA -0.208 56.039 56.287 -0.067 0.000 0.923 23 K CB 1.540 34.007 32.500 -0.054 0.000 1.046 23 K HN 0.598 nan 8.250 nan 0.000 0.474 24 A N 4.105 126.889 122.820 -0.059 0.000 2.311 24 A HA 0.553 4.904 4.320 0.052 0.000 0.334 24 A C -1.800 175.802 177.584 0.030 0.000 1.139 24 A CA -1.704 50.300 52.037 -0.055 0.000 0.830 24 A CB 0.831 19.787 19.000 -0.074 0.000 1.234 24 A HN 0.347 nan 8.150 nan 0.000 0.483 25 P HA -0.059 nan 4.420 nan 0.000 0.218 25 P C 1.061 178.393 177.300 0.053 0.000 1.148 25 P CA 1.839 64.994 63.100 0.092 0.000 0.822 25 P CB 0.274 32.051 31.700 0.129 0.000 0.784 26 G N -1.975 106.858 108.800 0.055 0.000 3.605 26 G HA2 0.511 4.502 3.960 0.052 0.000 0.277 26 G HA3 0.511 4.502 3.960 0.052 0.000 0.277 26 G C 0.383 175.296 174.900 0.023 0.000 1.093 26 G CA 0.246 45.368 45.100 0.036 0.000 0.821 26 G HN 0.542 nan 8.290 nan 0.000 0.532 27 G N -0.151 108.653 108.800 0.008 0.000 2.346 27 G HA2 0.296 4.287 3.960 0.052 0.000 0.294 27 G HA3 0.296 4.287 3.960 0.052 0.000 0.294 27 G C -3.480 171.399 174.900 -0.034 0.000 1.294 27 G CA -0.682 44.409 45.100 -0.015 0.000 0.962 27 G HN 0.117 nan 8.290 nan 0.000 0.508 28 P HA 0.634 nan 4.420 nan 0.000 0.285 28 P C -0.268 177.056 177.300 0.039 0.000 1.269 28 P CA -0.608 62.425 63.100 -0.112 0.000 0.844 28 P CB 1.797 33.260 31.700 -0.395 0.000 1.094 29 V N -2.040 117.921 119.914 0.078 0.000 2.876 29 V HA 0.626 4.778 4.120 0.052 0.000 0.312 29 V C -0.347 175.864 176.094 0.196 0.000 1.085 29 V CA -0.888 61.523 62.300 0.186 0.000 0.945 29 V CB 1.691 33.614 31.823 0.167 0.000 1.017 29 V HN 0.407 nan 8.190 nan 0.000 0.428 30 S N 2.476 118.305 115.700 0.216 0.000 2.465 30 S HA 0.743 5.245 4.470 0.052 0.000 0.279 30 S C 0.208 174.692 174.600 -0.194 0.000 1.201 30 S CA 0.085 58.281 58.200 -0.007 0.000 1.053 30 S CB 0.964 64.221 63.200 0.095 0.000 0.953 30 S HN 1.515 nan 8.310 nan 0.000 0.488 31 A N 3.427 125.969 122.820 -0.464 0.000 2.287 31 A HA 0.731 5.083 4.320 0.052 0.000 0.317 31 A C -0.828 176.270 177.584 -0.810 0.000 1.220 31 A CA -0.660 51.012 52.037 -0.608 0.000 0.835 31 A CB 0.075 18.714 19.000 -0.601 0.000 1.180 31 A HN 0.695 nan 8.150 nan 0.000 0.500 32 F N 3.611 123.410 119.950 -0.252 0.000 2.293 32 F HA 0.445 5.003 4.527 0.052 0.000 0.370 32 F C -0.009 175.605 175.800 -0.310 0.000 1.090 32 F CA -0.367 57.553 58.000 -0.133 0.000 1.133 32 F CB 0.722 39.831 39.000 0.182 0.000 1.360 32 F HN 0.353 nan 8.300 nan 0.000 0.489 33 L N 1.504 122.550 121.223 -0.295 0.000 2.352 33 L HA 0.769 5.141 4.340 0.052 0.000 0.269 33 L C 1.106 177.866 176.870 -0.184 0.000 1.034 33 L CA -1.102 53.522 54.840 -0.360 0.000 0.806 33 L CB 1.358 42.996 42.059 -0.701 0.000 1.244 33 L HN 0.768 nan 8.230 nan 0.000 0.447 34 G N 1.904 110.646 108.800 -0.096 0.000 2.198 34 G HA2 -0.250 3.741 3.960 0.052 0.000 0.257 34 G HA3 -0.250 3.741 3.960 0.052 0.000 0.257 34 G C -0.125 174.760 174.900 -0.026 0.000 1.042 34 G CA -0.243 44.768 45.100 -0.148 0.000 0.791 34 G HN 0.460 nan 8.290 nan 0.000 0.502 35 I N 2.071 122.670 120.570 0.048 0.000 2.337 35 I HA 0.258 4.459 4.170 0.052 0.000 0.291 35 I C -1.502 174.661 176.117 0.076 0.000 1.046 35 I CA -2.271 59.033 61.300 0.007 0.000 1.324 35 I CB 1.052 38.993 38.000 -0.098 0.000 1.409 35 I HN -0.049 nan 8.210 nan 0.000 0.494 36 P HA 0.027 nan 4.420 nan 0.000 0.271 36 P C -0.292 176.936 177.300 -0.121 0.000 1.216 36 P CA 0.096 63.080 63.100 -0.195 0.000 0.771 36 P CB 0.626 32.225 31.700 -0.167 0.000 0.864 37 F N 0.828 120.619 119.950 -0.265 0.000 2.817 37 F HA 0.699 5.257 4.527 0.052 0.000 0.333 37 F C -0.056 175.748 175.800 0.007 0.000 1.085 37 F CA -0.685 57.227 58.000 -0.145 0.000 1.170 37 F CB 0.110 38.896 39.000 -0.356 0.000 1.066 37 F HN 0.330 nan 8.300 nan 0.000 0.564 38 A N 0.422 122.898 122.820 -0.575 0.000 2.515 38 A HA 0.593 4.944 4.320 0.052 0.000 0.296 38 A C -0.685 176.714 177.584 -0.308 0.000 1.094 38 A CA -0.738 51.094 52.037 -0.343 0.000 0.718 38 A CB 0.978 19.706 19.000 -0.452 0.000 1.307 38 A HN 0.094 nan 8.150 nan 0.000 0.408 39 E N 1.395 121.507 120.200 -0.146 0.000 2.529 39 E HA 0.117 4.499 4.350 0.052 0.000 0.259 39 E C -2.258 174.227 176.600 -0.192 0.000 0.966 39 E CA -1.000 55.326 56.400 -0.122 0.000 0.937 39 E CB -0.187 29.481 29.700 -0.052 0.000 0.923 39 E HN 0.226 nan 8.360 nan 0.000 0.468 40 P HA -0.041 nan 4.420 nan 0.000 0.258 40 P C -2.149 175.064 177.300 -0.146 0.000 1.172 40 P CA -0.568 62.419 63.100 -0.188 0.000 0.762 40 P CB -0.058 31.573 31.700 -0.116 0.000 0.764 41 P HA 0.000 nan 4.420 nan 0.000 0.228 41 P C -0.373 176.846 177.300 -0.136 0.000 1.748 41 P CA 0.134 63.158 63.100 -0.128 0.000 0.909 41 P CB -0.188 31.439 31.700 -0.123 0.000 1.882 42 V N -2.897 116.945 119.914 -0.120 0.000 2.630 42 V HA 0.870 5.021 4.120 0.052 0.000 0.305 42 V C 0.957 176.992 176.094 -0.099 0.000 1.046 42 V CA 0.108 62.336 62.300 -0.120 0.000 0.934 42 V CB 0.768 32.531 31.823 -0.101 0.000 1.003 42 V HN 0.539 nan 8.190 nan 0.000 0.451 43 G N 3.560 112.296 108.800 -0.106 0.000 2.536 43 G HA2 -0.330 3.661 3.960 0.052 0.000 0.277 43 G HA3 -0.330 3.661 3.960 0.052 0.000 0.277 43 G C 1.256 176.113 174.900 -0.071 0.000 1.155 43 G CA 1.277 46.331 45.100 -0.076 0.000 0.960 43 G HN 2.251 nan 8.290 nan 0.000 0.544 44 S N 0.541 116.217 115.700 -0.040 0.000 2.447 44 S HA -0.028 4.473 4.470 0.052 0.000 0.233 44 S C 2.145 176.731 174.600 -0.024 0.000 1.006 44 S CA 1.852 60.041 58.200 -0.018 0.000 0.957 44 S CB -0.176 63.023 63.200 -0.002 0.000 0.773 44 S HN 0.625 nan 8.310 nan 0.000 0.507 45 R N 1.181 121.652 120.500 -0.048 0.000 2.153 45 R HA 0.175 4.547 4.340 0.052 0.000 0.218 45 R C 1.082 177.333 176.300 -0.083 0.000 1.072 45 R CA 0.085 56.157 56.100 -0.048 0.000 0.990 45 R CB -0.731 29.537 30.300 -0.054 0.000 0.889 45 R HN 0.531 nan 8.270 nan 0.000 0.452 46 R N 0.842 121.240 120.500 -0.171 0.000 2.500 46 R HA -0.215 4.156 4.340 0.052 0.000 0.281 46 R C -0.196 175.899 176.300 -0.342 0.000 0.953 46 R CA 0.741 56.615 56.100 -0.376 0.000 1.108 46 R CB -0.019 29.922 30.300 -0.599 0.000 0.901 46 R HN 0.147 nan 8.270 nan 0.000 0.410 47 F N -0.854 119.114 119.950 0.029 0.000 2.705 47 F HA -0.295 4.264 4.527 0.052 0.000 0.413 47 F C 0.189 175.981 175.800 -0.013 0.000 0.588 47 F CA 0.542 58.535 58.000 -0.011 0.000 1.187 47 F CB -1.423 37.561 39.000 -0.026 0.000 1.737 47 F HN 0.445 nan 8.300 nan 0.000 0.285 48 M N 1.325 120.996 119.600 0.117 0.000 2.288 48 M HA 0.387 4.898 4.480 0.052 0.000 0.334 48 M C -1.852 174.479 176.300 0.052 0.000 1.150 48 M CA -2.416 52.931 55.300 0.079 0.000 1.118 48 M CB 0.091 32.719 32.600 0.047 0.000 1.501 48 M HN -0.344 nan 8.290 nan 0.000 0.462 49 P HA 0.051 nan 4.420 nan 0.000 0.265 49 P C -2.401 174.928 177.300 0.048 0.000 1.187 49 P CA -0.427 62.708 63.100 0.059 0.000 0.766 49 P CB -0.496 31.249 31.700 0.075 0.000 0.820 50 P HA 0.065 nan 4.420 nan 0.000 0.271 50 P C -0.567 176.767 177.300 0.056 0.000 1.216 50 P CA 0.115 63.236 63.100 0.035 0.000 0.771 50 P CB 0.726 32.472 31.700 0.076 0.000 0.864 51 E N 4.880 125.097 120.200 0.028 0.000 2.222 51 E HA 0.451 4.832 4.350 0.052 0.000 0.272 51 E C -2.353 174.283 176.600 0.061 0.000 0.982 51 E CA -2.932 53.498 56.400 0.051 0.000 0.842 51 E CB 0.072 29.795 29.700 0.038 0.000 1.144 51 E HN 0.335 nan 8.360 nan 0.000 0.397 52 P HA -0.092 nan 4.420 nan 0.000 0.265 52 P C -0.483 176.889 177.300 0.119 0.000 1.187 52 P CA -0.060 63.127 63.100 0.145 0.000 0.766 52 P CB 0.496 32.286 31.700 0.150 0.000 0.820 53 K N 3.953 124.445 120.400 0.154 0.000 2.448 53 K HA 0.016 4.367 4.320 0.052 0.000 0.278 53 K C 0.214 176.932 176.600 0.197 0.000 1.009 53 K CA 0.222 56.600 56.287 0.150 0.000 0.995 53 K CB 0.207 32.837 32.500 0.218 0.000 0.917 53 K HN 0.273 nan 8.250 nan 0.000 0.481 54 R N 4.753 125.351 120.500 0.164 0.000 2.594 54 R HA 0.165 4.537 4.340 0.052 0.000 0.272 54 R C -2.029 174.402 176.300 0.220 0.000 1.074 54 R CA -1.632 54.556 56.100 0.148 0.000 1.105 54 R CB 0.065 30.431 30.300 0.109 0.000 1.008 54 R HN 0.587 nan 8.270 nan 0.000 0.472 55 P HA -0.098 nan 4.420 nan 0.000 0.267 55 P C -1.225 176.119 177.300 0.073 0.000 1.201 55 P CA 0.232 63.275 63.100 -0.095 0.000 0.775 55 P CB 0.317 31.926 31.700 -0.152 0.000 0.854 56 W N 0.494 121.830 121.300 0.060 0.000 2.882 56 W HA 0.688 5.380 4.660 0.053 0.000 0.345 56 W C -0.737 175.808 176.519 0.043 0.000 1.125 56 W CA -1.082 56.295 57.345 0.052 0.000 1.167 56 W CB 0.139 29.638 29.460 0.065 0.000 1.431 56 W HN 0.365 nan 8.180 nan 0.000 0.543 57 S N 1.619 117.489 115.700 0.283 0.000 2.616 57 S HA 0.799 5.301 4.470 0.052 0.000 0.277 57 S C 0.572 175.312 174.600 0.234 0.000 1.234 57 S CA 0.256 58.553 58.200 0.162 0.000 1.028 57 S CB 0.864 64.132 63.200 0.113 0.000 0.988 57 S HN 2.256 nan 8.310 nan 0.000 0.522 58 G N 0.802 109.692 108.800 0.150 0.000 2.528 58 G HA2 -0.171 3.821 3.960 0.052 0.000 0.262 58 G HA3 -0.171 3.821 3.960 0.052 0.000 0.262 58 G C -0.665 174.367 174.900 0.220 0.000 1.200 58 G CA -0.197 44.990 45.100 0.146 0.000 0.951 58 G HN 1.742 nan 8.290 nan 0.000 0.566 59 V N 0.674 120.702 119.914 0.190 0.000 2.376 59 V HA 0.542 4.693 4.120 0.052 0.000 0.287 59 V C 0.418 176.604 176.094 0.154 0.000 1.015 59 V CA -0.405 62.017 62.300 0.204 0.000 0.834 59 V CB 1.301 33.200 31.823 0.127 0.000 1.001 59 V HN 0.856 nan 8.190 nan 0.000 0.428 60 L N 4.456 125.774 121.223 0.158 0.000 2.477 60 L HA 0.263 4.635 4.340 0.052 0.000 0.272 60 L C 0.519 177.369 176.870 -0.033 0.000 1.157 60 L CA 0.297 55.077 54.840 -0.101 0.000 0.889 60 L CB 0.484 42.229 42.059 -0.524 0.000 1.158 60 L HN 0.764 nan 8.230 nan 0.000 0.473 61 D N 4.764 125.129 120.400 -0.059 0.000 2.412 61 D HA 0.165 4.837 4.640 0.052 0.000 0.257 61 D C 0.086 176.340 176.300 -0.077 0.000 1.217 61 D CA 0.613 54.582 54.000 -0.052 0.000 0.897 61 D CB 0.980 41.738 40.800 -0.069 0.000 1.132 61 D HN 0.613 nan 8.370 nan 0.000 0.493 62 A N 3.201 126.003 122.820 -0.030 0.000 2.855 62 A HA 0.254 4.606 4.320 0.052 0.000 0.301 62 A C 1.114 178.622 177.584 -0.126 0.000 1.076 62 A CA -0.006 52.010 52.037 -0.035 0.000 1.004 62 A CB -0.235 18.851 19.000 0.144 0.000 1.152 62 A HN 0.583 nan 8.150 nan 0.000 0.531 63 T N -4.237 110.215 114.554 -0.170 0.000 3.001 63 T HA 0.248 4.630 4.350 0.052 0.000 0.251 63 T C 0.650 175.175 174.700 -0.291 0.000 1.040 63 T CA 0.711 62.674 62.100 -0.228 0.000 0.985 63 T CB 0.198 68.968 68.868 -0.163 0.000 1.011 63 T HN 0.271 nan 8.240 nan 0.000 0.509 64 T N 0.894 115.282 114.554 -0.278 0.000 2.893 64 T HA 0.609 4.991 4.350 0.052 0.000 0.291 64 T C -1.181 173.343 174.700 -0.294 0.000 1.028 64 T CA -0.877 61.052 62.100 -0.284 0.000 0.995 64 T CB 0.530 69.294 68.868 -0.173 0.000 1.051 64 T HN 0.109 nan 8.240 nan 0.000 0.470 65 F N 2.982 122.842 119.950 -0.150 0.000 2.553 65 F HA 0.285 4.844 4.527 0.053 0.000 0.356 65 F C 1.440 177.117 175.800 -0.206 0.000 1.142 65 F CA -0.035 57.874 58.000 -0.150 0.000 1.322 65 F CB 0.523 39.467 39.000 -0.094 0.000 1.126 65 F HN 0.413 nan 8.300 nan 0.000 0.599 66 Q N 1.311 121.094 119.800 -0.029 0.000 2.189 66 Q HA 0.210 4.582 4.340 0.052 0.000 0.193 66 Q C -0.133 175.784 176.000 -0.138 0.000 1.034 66 Q CA -0.734 54.891 55.803 -0.297 0.000 1.062 66 Q CB 0.558 28.747 28.738 -0.915 0.000 1.118 66 Q HN 0.531 nan 8.270 nan 0.000 0.569 67 N N -0.250 118.354 118.700 -0.160 0.000 2.344 67 N HA 0.009 4.780 4.740 0.052 0.000 0.236 67 N C -0.467 175.024 175.510 -0.031 0.000 1.279 67 N CA 0.126 53.134 53.050 -0.071 0.000 0.882 67 N CB 0.354 38.815 38.487 -0.044 0.000 1.110 67 N HN 0.175 nan 8.380 nan 0.000 0.436 68 V N 1.349 121.214 119.914 -0.083 0.000 2.607 68 V HA 0.077 4.229 4.120 0.052 0.000 0.289 68 V C 0.720 176.756 176.094 -0.096 0.000 1.053 68 V CA -0.809 61.423 62.300 -0.113 0.000 0.996 68 V CB 1.053 32.765 31.823 -0.185 0.000 0.995 68 V HN 0.716 nan 8.190 nan 0.000 0.476 69 c N 3.892 122.451 118.600 -0.068 0.000 2.665 69 c HA 0.060 4.661 4.570 0.052 0.000 0.416 69 c C 0.484 174.517 174.090 -0.095 0.000 1.305 69 c CA -0.464 55.831 56.329 -0.056 0.000 1.903 69 c CB -0.852 41.657 42.510 -0.001 0.000 2.704 69 c HN 0.762 nan 8.230 nan 0.000 0.629 70 Y N 4.048 124.199 120.300 -0.248 0.000 2.605 70 Y HA 0.252 4.833 4.550 0.053 0.000 0.336 70 Y C 0.768 176.695 175.900 0.044 0.000 1.111 70 Y CA 0.760 58.711 58.100 -0.248 0.000 1.422 70 Y CB -0.070 37.997 38.460 -0.655 0.000 1.193 70 Y HN 0.711 nan 8.280 nan 0.000 0.526 71 Q N 4.685 124.417 119.800 -0.114 0.000 2.456 71 Q HA 0.246 4.618 4.340 0.052 0.000 0.284 71 Q C -1.592 174.477 176.000 0.115 0.000 1.061 71 Q CA -1.238 54.655 55.803 0.150 0.000 0.799 71 Q CB 1.498 30.283 28.738 0.078 0.000 1.445 71 Q HN 0.689 nan 8.270 nan 0.000 0.411 72 Y N 1.243 121.629 120.300 0.142 0.000 2.712 72 Y HA 0.205 4.787 4.550 0.052 0.000 0.333 72 Y C -0.855 175.069 175.900 0.040 0.000 1.225 72 Y CA 0.216 58.364 58.100 0.080 0.000 1.499 72 Y CB 0.709 39.178 38.460 0.014 0.000 1.288 72 Y HN 0.418 nan 8.280 nan 0.000 0.575 73 V N 6.712 126.323 119.914 -0.505 0.000 2.427 73 V HA 0.105 4.257 4.120 0.052 0.000 0.286 73 V C -0.404 175.262 176.094 -0.713 0.000 1.034 73 V CA -0.937 61.114 62.300 -0.414 0.000 0.893 73 V CB 1.554 33.217 31.823 -0.267 0.000 0.982 73 V HN 0.766 nan 8.190 nan 0.000 0.452 74 D N 2.780 123.008 120.400 -0.287 0.000 2.351 74 D HA 0.326 4.998 4.640 0.052 0.000 0.251 74 D C 1.012 177.321 176.300 0.015 0.000 1.137 74 D CA 0.371 54.321 54.000 -0.084 0.000 0.879 74 D CB 1.429 42.386 40.800 0.262 0.000 1.181 74 D HN 0.754 nan 8.370 nan 0.000 0.448 75 T N 0.946 115.545 114.554 0.074 0.000 3.004 75 T HA -0.000 4.381 4.350 0.052 0.000 0.266 75 T C 1.684 176.456 174.700 0.119 0.000 0.986 75 T CA -0.397 61.752 62.100 0.081 0.000 0.902 75 T CB -0.118 68.771 68.868 0.035 0.000 1.118 75 T HN 0.272 nan 8.240 nan 0.000 0.522 76 L N 1.200 122.534 121.223 0.185 0.000 2.064 76 L HA -0.019 4.353 4.340 0.052 0.000 0.216 76 L C -0.231 176.412 176.870 -0.378 0.000 1.077 76 L CA 1.677 56.475 54.840 -0.070 0.000 0.766 76 L CB -0.641 41.381 42.059 -0.062 0.000 0.890 76 L HN 0.493 nan 8.230 nan 0.000 0.435 77 Y N -0.660 119.730 120.300 0.148 0.000 2.681 77 Y HA 0.423 5.004 4.550 0.053 0.000 0.347 77 Y C -2.239 173.735 175.900 0.124 0.000 1.029 77 Y CA -2.947 55.197 58.100 0.073 0.000 1.279 77 Y CB 0.211 38.646 38.460 -0.041 0.000 1.096 77 Y HN 0.050 nan 8.280 nan 0.000 0.580 78 P HA 0.242 nan 4.420 nan 0.000 0.276 78 P C 1.037 178.412 177.300 0.126 0.000 1.230 78 P CA 0.843 64.022 63.100 0.131 0.000 0.776 78 P CB 1.374 33.117 31.700 0.071 0.000 0.888 79 G N 2.299 111.155 108.800 0.093 0.000 2.268 79 G HA2 -0.284 3.707 3.960 0.052 0.000 0.240 79 G HA3 -0.284 3.707 3.960 0.052 0.000 0.240 79 G C -0.035 174.901 174.900 0.060 0.000 1.010 79 G CA -0.261 44.870 45.100 0.053 0.000 0.618 79 G HN 0.562 nan 8.290 nan 0.000 0.516 80 F N 2.839 122.754 119.950 -0.058 0.000 2.502 80 F HA 0.587 5.145 4.527 0.052 0.000 0.371 80 F C 1.400 177.093 175.800 -0.179 0.000 1.083 80 F CA 0.007 57.915 58.000 -0.153 0.000 1.174 80 F CB 1.207 40.087 39.000 -0.200 0.000 1.096 80 F HN 0.182 nan 8.300 nan 0.000 0.545 81 E N 4.465 124.242 120.200 -0.706 0.000 2.070 81 E HA -0.118 4.264 4.350 0.052 0.000 0.197 81 E C 2.320 178.429 176.600 -0.818 0.000 1.004 81 E CA 2.028 58.047 56.400 -0.635 0.000 0.805 81 E CB -0.704 28.695 29.700 -0.502 0.000 0.744 81 E HN 0.899 nan 8.360 nan 0.000 0.451 82 G N -0.824 106.992 108.800 -1.640 0.000 2.545 82 G HA2 -0.380 3.611 3.960 0.052 0.000 0.222 82 G HA3 -0.380 3.611 3.960 0.052 0.000 0.222 82 G C 1.729 176.577 174.900 -0.088 0.000 1.126 82 G CA 2.159 46.486 45.100 -1.289 0.000 0.754 82 G HN 0.528 nan 8.290 nan 0.000 0.583 83 T N -2.696 111.819 114.554 -0.066 0.000 3.033 83 T HA 0.163 4.544 4.350 0.052 0.000 0.248 83 T C 1.924 176.812 174.700 0.314 0.000 1.040 83 T CA 0.914 63.346 62.100 0.554 0.000 1.133 83 T CB 0.073 69.370 68.868 0.715 0.000 0.895 83 T HN 0.158 nan 8.240 nan 0.000 0.465 84 E N 2.148 122.374 120.200 0.044 0.000 2.204 84 E HA -0.043 4.339 4.350 0.052 0.000 0.194 84 E C 2.158 178.679 176.600 -0.132 0.000 0.989 84 E CA 1.161 57.546 56.400 -0.025 0.000 0.824 84 E CB -0.463 29.189 29.700 -0.079 0.000 0.756 84 E HN 0.825 nan 8.360 nan 0.000 0.477 85 M N -2.604 116.837 119.600 -0.264 0.000 2.539 85 M HA -0.049 4.462 4.480 0.052 0.000 0.261 85 M C 1.230 177.127 176.300 -0.672 0.000 1.069 85 M CA 1.358 56.344 55.300 -0.524 0.000 1.081 85 M CB -0.387 31.802 32.600 -0.684 0.000 1.412 85 M HN -0.012 nan 8.290 nan 0.000 0.482 86 W N 0.485 121.710 121.300 -0.123 0.000 2.915 86 W HA 0.291 4.982 4.660 0.052 0.000 0.276 86 W C 0.431 176.844 176.519 -0.177 0.000 1.215 86 W CA -0.907 56.339 57.345 -0.165 0.000 1.514 86 W CB 0.032 29.449 29.460 -0.072 0.000 1.017 86 W HN 0.060 nan 8.180 nan 0.000 0.598 87 N N 2.971 121.697 118.700 0.044 0.000 2.479 87 N HA 0.048 4.820 4.740 0.052 0.000 0.257 87 N C -2.281 173.147 175.510 -0.137 0.000 1.232 87 N CA -0.943 52.082 53.050 -0.041 0.000 0.920 87 N CB -0.235 38.230 38.487 -0.038 0.000 1.105 87 N HN -0.235 nan 8.380 nan 0.000 0.444 88 P HA -0.019 nan 4.420 nan 0.000 0.262 88 P C -0.082 177.107 177.300 -0.185 0.000 1.182 88 P CA 0.059 63.039 63.100 -0.200 0.000 0.761 88 P CB 0.317 31.895 31.700 -0.204 0.000 0.795 89 N N 2.670 121.246 118.700 -0.207 0.000 2.275 89 N HA 0.106 4.877 4.740 0.052 0.000 0.236 89 N C 0.211 175.636 175.510 -0.141 0.000 1.154 89 N CA -0.261 52.683 53.050 -0.177 0.000 0.866 89 N CB 0.416 38.777 38.487 -0.210 0.000 1.093 89 N HN 0.224 nan 8.380 nan 0.000 0.515 90 R N -0.363 120.052 120.500 -0.142 0.000 2.795 90 R HA 0.314 4.685 4.340 0.052 0.000 0.268 90 R C -0.548 175.682 176.300 -0.116 0.000 1.041 90 R CA -0.605 55.430 56.100 -0.108 0.000 0.927 90 R CB 0.726 30.971 30.300 -0.093 0.000 1.235 90 R HN 0.099 nan 8.270 nan 0.000 0.463 91 E N 1.719 121.861 120.200 -0.096 0.000 2.384 91 E HA 0.137 4.519 4.350 0.052 0.000 0.266 91 E C 0.039 176.569 176.600 -0.118 0.000 1.012 91 E CA -0.022 56.320 56.400 -0.095 0.000 0.901 91 E CB 0.572 30.232 29.700 -0.067 0.000 0.967 91 E HN 0.271 nan 8.360 nan 0.000 0.435 92 L N 1.868 122.993 121.223 -0.164 0.000 2.467 92 L HA 0.141 4.512 4.340 0.052 0.000 0.270 92 L C 0.771 177.600 176.870 -0.068 0.000 1.205 92 L CA 0.343 55.038 54.840 -0.241 0.000 0.828 92 L CB 0.547 42.248 42.059 -0.597 0.000 1.101 92 L HN 0.424 nan 8.230 nan 0.000 0.479 93 S N 0.252 115.946 115.700 -0.010 0.000 2.578 93 S HA 0.130 4.631 4.470 0.052 0.000 0.285 93 S C 0.125 174.712 174.600 -0.021 0.000 1.126 93 S CA -0.711 57.524 58.200 0.058 0.000 0.878 93 S CB 1.309 64.514 63.200 0.008 0.000 1.091 93 S HN 0.742 nan 8.310 nan 0.000 0.450 94 E N 1.183 121.311 120.200 -0.120 0.000 2.265 94 E HA -0.099 4.283 4.350 0.052 0.000 0.196 94 E C -0.162 176.356 176.600 -0.138 0.000 0.996 94 E CA 0.836 57.087 56.400 -0.249 0.000 0.832 94 E CB 0.092 29.577 29.700 -0.358 0.000 0.756 94 E HN 0.544 nan 8.360 nan 0.000 0.491 95 D N -0.036 120.325 120.400 -0.066 0.000 2.453 95 D HA 0.015 4.687 4.640 0.052 0.000 0.223 95 D C -0.253 176.130 176.300 0.137 0.000 1.183 95 D CA -0.346 53.647 54.000 -0.011 0.000 0.933 95 D CB 0.103 40.915 40.800 0.020 0.000 1.038 95 D HN 0.151 nan 8.370 nan 0.000 0.513 96 c N 2.533 121.169 118.600 0.060 0.000 3.897 96 c HA 0.310 4.912 4.570 0.052 0.000 0.304 96 c C 0.485 174.600 174.090 0.043 0.000 2.314 96 c CA -0.675 55.776 56.329 0.202 0.000 1.559 96 c CB -1.333 41.223 42.510 0.077 0.000 3.163 96 c HN 0.457 nan 8.230 nan 0.000 0.476 97 L N 2.456 123.401 121.223 -0.463 0.000 2.391 97 L HA 0.388 4.759 4.340 0.052 0.000 0.249 97 L C -0.899 175.273 176.870 -1.163 0.000 1.308 97 L CA 0.573 54.935 54.840 -0.797 0.000 1.209 97 L CB -0.695 40.773 42.059 -0.984 0.000 1.401 97 L HN 0.417 nan 8.230 nan 0.000 0.416 98 Y N 1.234 121.523 120.300 -0.018 0.000 2.545 98 Y HA 0.626 5.207 4.550 0.052 0.000 0.348 98 Y C -0.104 175.989 175.900 0.322 0.000 1.002 98 Y CA -1.315 56.851 58.100 0.109 0.000 1.039 98 Y CB 1.915 40.376 38.460 0.002 0.000 1.271 98 Y HN 0.123 nan 8.280 nan 0.000 0.467 99 L N 0.067 121.469 121.223 0.298 0.000 2.301 99 L HA 0.772 5.144 4.340 0.052 0.000 0.264 99 L C -1.139 175.726 176.870 -0.008 0.000 1.016 99 L CA -1.270 53.619 54.840 0.082 0.000 0.821 99 L CB 1.501 43.422 42.059 -0.229 0.000 1.346 99 L HN 0.466 nan 8.230 nan 0.000 0.429 100 N N 0.153 118.861 118.700 0.014 0.000 2.272 100 N HA 0.710 5.481 4.740 0.052 0.000 0.305 100 N C -1.455 173.967 175.510 -0.147 0.000 1.103 100 N CA -0.471 52.481 53.050 -0.163 0.000 0.791 100 N CB 2.836 41.165 38.487 -0.264 0.000 1.356 100 N HN 0.489 nan 8.380 nan 0.000 0.486 101 V N 1.487 121.263 119.914 -0.229 0.000 2.483 101 V HA 0.419 4.571 4.120 0.052 0.000 0.297 101 V C -0.608 175.496 176.094 0.016 0.000 1.027 101 V CA -0.822 61.461 62.300 -0.028 0.000 0.855 101 V CB 1.714 33.361 31.823 -0.294 0.000 0.995 101 V HN 0.531 nan 8.190 nan 0.000 0.424 102 W N 2.886 124.301 121.300 0.192 0.000 2.512 102 W HA 0.687 5.379 4.660 0.053 0.000 0.335 102 W C 0.259 176.908 176.519 0.217 0.000 1.088 102 W CA -0.476 56.977 57.345 0.180 0.000 1.236 102 W CB 2.380 31.913 29.460 0.121 0.000 1.307 102 W HN 0.604 nan 8.180 nan 0.000 0.567 103 T N -0.687 114.142 114.554 0.458 0.000 2.865 103 T HA 0.471 4.852 4.350 0.052 0.000 0.294 103 T C -2.839 172.036 174.700 0.292 0.000 1.119 103 T CA -2.447 59.872 62.100 0.365 0.000 1.007 103 T CB 1.878 70.994 68.868 0.413 0.000 1.225 103 T HN -0.072 nan 8.240 nan 0.000 0.515 104 P HA 0.194 nan 4.420 nan 0.000 0.269 104 P C -1.490 175.944 177.300 0.223 0.000 1.215 104 P CA -0.219 63.000 63.100 0.198 0.000 0.780 104 P CB 0.128 31.918 31.700 0.149 0.000 0.898 105 Y N 3.917 124.274 120.300 0.096 0.000 2.334 105 Y HA 0.400 4.981 4.550 0.052 0.000 0.336 105 Y C -2.043 173.893 175.900 0.060 0.000 0.960 105 Y CA -2.698 55.450 58.100 0.078 0.000 1.164 105 Y CB 1.184 39.674 38.460 0.051 0.000 1.155 105 Y HN 0.347 nan 8.280 nan 0.000 0.478 106 P HA 0.119 nan 4.420 nan 0.000 0.274 106 P C -0.994 176.284 177.300 -0.037 0.000 1.237 106 P CA -0.532 62.469 63.100 -0.163 0.000 0.793 106 P CB 0.869 32.514 31.700 -0.091 0.000 0.977 107 R N 2.643 123.101 120.500 -0.070 0.000 2.669 107 R HA -0.076 4.295 4.340 0.052 0.000 0.283 107 R C -1.703 174.621 176.300 0.040 0.000 0.851 107 R CA -0.328 55.794 56.100 0.035 0.000 1.126 107 R CB -0.657 29.644 30.300 0.002 0.000 0.883 107 R HN 0.385 nan 8.270 nan 0.000 0.418 108 P HA -0.046 nan 4.420 nan 0.000 0.269 108 P C -0.367 176.956 177.300 0.039 0.000 1.209 108 P CA 0.410 63.547 63.100 0.062 0.000 0.776 108 P CB 1.173 32.920 31.700 0.077 0.000 0.876 109 A N 3.403 126.241 122.820 0.030 0.000 1.873 109 A HA -0.040 4.312 4.320 0.052 0.000 0.215 109 A C 1.134 178.726 177.584 0.015 0.000 1.186 109 A CA 1.491 53.538 52.037 0.017 0.000 0.616 109 A CB -1.063 17.946 19.000 0.015 0.000 0.823 109 A HN 0.709 nan 8.150 nan 0.000 0.442 110 S N -0.308 115.403 115.700 0.018 0.000 2.608 110 S HA 0.579 5.081 4.470 0.052 0.000 0.291 110 S C -2.985 171.627 174.600 0.021 0.000 1.146 110 S CA -1.858 56.350 58.200 0.013 0.000 1.043 110 S CB 0.882 64.088 63.200 0.010 0.000 1.037 110 S HN 0.066 nan 8.310 nan 0.000 0.520 111 P HA 0.141 nan 4.420 nan 0.000 0.260 111 P C -0.659 176.656 177.300 0.024 0.000 1.172 111 P CA 0.410 63.523 63.100 0.021 0.000 0.760 111 P CB 0.109 31.813 31.700 0.006 0.000 0.773 112 T N 5.512 120.092 114.554 0.044 0.000 2.829 112 T HA 0.407 4.789 4.350 0.052 0.000 0.280 112 T C -2.534 172.195 174.700 0.048 0.000 0.999 112 T CA -1.917 60.211 62.100 0.046 0.000 0.983 112 T CB 1.106 70.015 68.868 0.069 0.000 0.968 112 T HN 0.114 nan 8.240 nan 0.000 0.446 113 P HA 0.085 nan 4.420 nan 0.000 0.261 113 P C -0.709 176.628 177.300 0.061 0.000 1.183 113 P CA -0.122 62.994 63.100 0.026 0.000 0.761 113 P CB 0.229 31.925 31.700 -0.006 0.000 0.785 114 V N 5.462 125.430 119.914 0.091 0.000 2.465 114 V HA 0.262 4.413 4.120 0.052 0.000 0.279 114 V C 0.499 176.669 176.094 0.127 0.000 1.045 114 V CA -0.440 61.936 62.300 0.126 0.000 0.938 114 V CB 0.895 32.808 31.823 0.149 0.000 0.986 114 V HN 0.330 nan 8.190 nan 0.000 0.467 115 L N 5.694 126.999 121.223 0.135 0.000 2.296 115 L HA 0.563 4.934 4.340 0.052 0.000 0.286 115 L C -0.406 176.691 176.870 0.379 0.000 1.023 115 L CA -0.179 54.747 54.840 0.143 0.000 0.812 115 L CB 1.431 43.396 42.059 -0.156 0.000 1.223 115 L HN 0.502 nan 8.230 nan 0.000 0.421 116 I N 2.841 123.661 120.570 0.417 0.000 2.321 116 I HA 0.183 4.385 4.170 0.052 0.000 0.291 116 I C -0.504 175.926 176.117 0.521 0.000 0.998 116 I CA -0.389 61.151 61.300 0.401 0.000 1.227 116 I CB 1.078 39.174 38.000 0.160 0.000 1.368 116 I HN 0.642 nan 8.210 nan 0.000 0.466 117 W N 8.506 129.966 121.300 0.266 0.000 2.351 117 W HA 0.542 5.233 4.660 0.052 0.000 0.311 117 W C -1.472 174.948 176.519 -0.165 0.000 1.168 117 W CA -0.621 56.617 57.345 -0.178 0.000 1.200 117 W CB 1.082 30.468 29.460 -0.122 0.000 1.221 117 W HN 0.369 nan 8.180 nan 0.000 0.519 118 I N 8.937 128.775 120.570 -1.220 0.000 2.382 118 I HA 0.105 4.307 4.170 0.052 0.000 0.286 118 I C -0.180 175.039 176.117 -1.498 0.000 1.002 118 I CA -1.149 59.536 61.300 -1.025 0.000 1.135 118 I CB 0.832 38.402 38.000 -0.717 0.000 1.288 118 I HN 0.316 nan 8.210 nan 0.000 0.448 119 Y N 4.459 124.330 120.300 -0.716 0.000 2.330 119 Y HA 0.685 5.266 4.550 0.052 0.000 0.341 119 Y C 0.875 176.622 175.900 -0.255 0.000 1.278 119 Y CA -0.774 57.075 58.100 -0.417 0.000 1.453 119 Y CB -0.124 38.356 38.460 0.033 0.000 1.342 119 Y HN 0.555 nan 8.280 nan 0.000 0.590 120 G N -0.984 107.862 108.800 0.077 0.000 2.574 120 G HA2 0.456 4.448 3.960 0.052 0.000 0.248 120 G HA3 0.456 4.448 3.960 0.052 0.000 0.248 120 G C 0.407 175.232 174.900 -0.126 0.000 1.422 120 G CA -0.860 44.161 45.100 -0.132 0.000 1.051 120 G HN 1.768 nan 8.290 nan 0.000 0.560 121 G N -2.813 105.697 108.800 -0.483 0.000 2.157 121 G HA2 0.370 4.361 3.960 0.052 0.000 0.118 121 G HA3 0.370 4.361 3.960 0.052 0.000 0.118 121 G C 1.136 175.292 174.900 -1.240 0.000 1.032 121 G CA 0.687 45.335 45.100 -0.754 0.000 0.697 121 G HN 2.340 nan 8.290 nan 0.000 0.495 122 G N -0.594 107.475 108.800 -1.218 0.000 2.258 122 G HA2 -0.114 3.878 3.960 0.052 0.000 0.274 122 G HA3 -0.114 3.878 3.960 0.052 0.000 0.274 122 G C 0.950 175.403 174.900 -0.745 0.000 1.021 122 G CA 0.889 44.941 45.100 -1.747 0.000 0.798 122 G HN 1.789 nan 8.290 nan 0.000 0.507 123 F N -3.507 116.227 119.950 -0.361 0.000 2.890 123 F HA -0.340 4.219 4.527 0.053 0.000 0.346 123 F C 1.567 177.432 175.800 0.109 0.000 0.660 123 F CA 2.290 60.251 58.000 -0.065 0.000 1.091 123 F CB -2.021 36.818 39.000 -0.268 0.000 1.535 123 F HN 0.877 nan 8.300 nan 0.000 0.314 124 Y N -0.968 119.365 120.300 0.056 0.000 2.445 124 Y HA 0.635 5.217 4.550 0.052 0.000 0.247 124 Y C 0.775 176.713 175.900 0.064 0.000 1.129 124 Y CA 0.254 58.419 58.100 0.110 0.000 1.251 124 Y CB -0.102 38.361 38.460 0.005 0.000 1.176 124 Y HN 0.097 nan 8.280 nan 0.000 0.522 125 S N -0.895 114.513 115.700 -0.487 0.000 2.843 125 S HA 0.868 5.370 4.470 0.052 0.000 0.301 125 S C -0.029 174.389 174.600 -0.302 0.000 1.206 125 S CA -0.472 57.541 58.200 -0.312 0.000 0.875 125 S CB 1.352 64.338 63.200 -0.357 0.000 1.248 125 S HN 1.382 nan 8.310 nan 0.000 0.555 126 G N -0.540 108.054 108.800 -0.343 0.000 2.555 126 G HA2 0.521 4.512 3.960 0.052 0.000 0.686 126 G HA3 0.521 4.512 3.960 0.052 0.000 0.686 126 G C -0.522 173.736 174.900 -1.071 0.000 1.275 126 G CA -0.305 44.473 45.100 -0.537 0.000 0.871 126 G HN 2.268 nan 8.290 nan 0.000 0.603 127 A N -1.133 120.934 122.820 -1.255 0.000 2.599 127 A HA 0.997 5.348 4.320 0.052 0.000 0.294 127 A C 0.419 177.737 177.584 -0.443 0.000 1.055 127 A CA 0.612 52.093 52.037 -0.927 0.000 0.683 127 A CB 0.827 19.553 19.000 -0.457 0.000 1.278 127 A HN 2.614 nan 8.150 nan 0.000 0.412 128 A N 0.251 123.046 122.820 -0.042 0.000 2.302 128 A HA 0.403 4.755 4.320 0.052 0.000 0.219 128 A C 1.307 178.865 177.584 -0.042 0.000 1.243 128 A CA 1.288 53.505 52.037 0.301 0.000 0.856 128 A CB -0.678 18.608 19.000 0.477 0.000 0.893 128 A HN 1.696 nan 8.150 nan 0.000 0.491 129 S N -0.826 114.595 115.700 -0.465 0.000 2.523 129 S HA 0.347 4.849 4.470 0.052 0.000 0.217 129 S C 0.423 174.519 174.600 -0.839 0.000 0.996 129 S CA -0.438 56.991 58.200 -1.285 0.000 0.921 129 S CB -0.471 62.012 63.200 -1.195 0.000 0.829 129 S HN 0.357 nan 8.310 nan 0.000 0.495 130 L N 2.551 123.433 121.223 -0.568 0.000 2.467 130 L HA 0.203 4.574 4.340 0.052 0.000 0.270 130 L C 1.098 177.606 176.870 -0.604 0.000 1.205 130 L CA -0.534 53.938 54.840 -0.613 0.000 0.828 130 L CB 0.234 41.800 42.059 -0.822 0.000 1.101 130 L HN 0.044 nan 8.230 nan 0.000 0.479 131 D N 1.196 121.300 120.400 -0.494 0.000 2.123 131 D HA -0.152 4.520 4.640 0.052 0.000 0.196 131 D C 2.067 178.083 176.300 -0.473 0.000 0.992 131 D CA 1.512 55.300 54.000 -0.354 0.000 0.833 131 D CB -0.190 40.456 40.800 -0.256 0.000 0.954 131 D HN 0.549 nan 8.370 nan 0.000 0.455 132 V N -0.981 118.501 119.914 -0.721 0.000 2.867 132 V HA -0.205 3.947 4.120 0.052 0.000 0.260 132 V C 1.363 176.848 176.094 -1.015 0.000 1.099 132 V CA 1.196 63.032 62.300 -0.772 0.000 1.122 132 V CB -1.207 30.097 31.823 -0.866 0.000 0.708 132 V HN 0.067 nan 8.190 nan 0.000 0.490 133 Y N 0.088 119.713 120.300 -1.124 0.000 2.524 133 Y HA 0.434 5.015 4.550 0.052 0.000 0.266 133 Y C 0.904 176.091 175.900 -1.188 0.000 1.180 133 Y CA -1.834 55.166 58.100 -1.833 0.000 1.244 133 Y CB -0.913 36.880 38.460 -1.111 0.000 1.125 133 Y HN 0.251 nan 8.280 nan 0.000 0.524 134 D N 0.922 120.972 120.400 -0.584 0.000 2.426 134 D HA 0.020 4.692 4.640 0.052 0.000 0.261 134 D C 1.352 177.287 176.300 -0.609 0.000 1.245 134 D CA 0.526 54.273 54.000 -0.421 0.000 0.917 134 D CB 1.176 41.882 40.800 -0.156 0.000 1.123 134 D HN 0.469 nan 8.370 nan 0.000 0.508 135 G N 4.107 111.920 108.800 -1.646 0.000 2.985 135 G HA2 -0.139 3.853 3.960 0.052 0.000 0.209 135 G HA3 -0.139 3.853 3.960 0.052 0.000 0.209 135 G C 1.512 175.822 174.900 -0.983 0.000 1.165 135 G CA 0.112 44.468 45.100 -1.240 0.000 0.776 135 G HN 0.585 nan 8.290 nan 0.000 0.541 136 R N -0.217 119.645 120.500 -1.064 0.000 2.073 136 R HA -0.084 4.288 4.340 0.052 0.000 0.234 136 R C 1.775 177.819 176.300 -0.427 0.000 1.134 136 R CA 1.460 57.218 56.100 -0.570 0.000 0.952 136 R CB -0.844 29.131 30.300 -0.542 0.000 0.850 136 R HN 0.288 nan 8.270 nan 0.000 0.433 137 F N 1.659 121.533 119.950 -0.127 0.000 2.102 137 F HA -0.064 4.495 4.527 0.053 0.000 0.298 137 F C 2.440 178.193 175.800 -0.078 0.000 1.105 137 F CA 1.012 58.959 58.000 -0.087 0.000 1.239 137 F CB -0.711 38.226 39.000 -0.105 0.000 0.991 137 F HN -0.092 nan 8.300 nan 0.000 0.474 138 L N -0.382 120.876 121.223 0.059 0.000 2.201 138 L HA -0.145 4.227 4.340 0.052 0.000 0.212 138 L C 2.600 179.484 176.870 0.024 0.000 1.105 138 L CA 0.845 55.684 54.840 -0.002 0.000 0.775 138 L CB -0.786 41.223 42.059 -0.084 0.000 0.913 138 L HN 0.200 nan 8.230 nan 0.000 0.440 139 A N -0.832 122.008 122.820 0.033 0.000 1.854 139 A HA -0.208 4.144 4.320 0.052 0.000 0.214 139 A C 2.261 179.900 177.584 0.091 0.000 1.192 139 A CA 1.394 53.492 52.037 0.103 0.000 0.611 139 A CB -0.423 18.687 19.000 0.184 0.000 0.832 139 A HN 0.382 nan 8.150 nan 0.000 0.442 140 Q N 0.054 119.894 119.800 0.066 0.000 1.984 140 Q HA -0.079 4.292 4.340 0.052 0.000 0.196 140 Q C 2.182 178.222 176.000 0.066 0.000 0.975 140 Q CA 2.056 57.902 55.803 0.071 0.000 0.827 140 Q CB -0.403 28.367 28.738 0.054 0.000 0.894 140 Q HN 0.349 nan 8.270 nan 0.000 0.438 141 V N 1.725 121.678 119.914 0.066 0.000 2.287 141 V HA -0.192 3.959 4.120 0.052 0.000 0.248 141 V C 1.886 178.001 176.094 0.034 0.000 1.053 141 V CA 2.067 64.397 62.300 0.049 0.000 1.027 141 V CB -0.336 31.515 31.823 0.046 0.000 0.646 141 V HN 0.326 nan 8.190 nan 0.000 0.447 142 E N -0.948 119.271 120.200 0.032 0.000 2.498 142 E HA 0.220 4.602 4.350 0.052 0.000 0.203 142 E C 1.677 178.298 176.600 0.034 0.000 1.013 142 E CA 0.715 57.128 56.400 0.022 0.000 0.927 142 E CB 0.698 30.401 29.700 0.005 0.000 1.012 142 E HN 0.618 nan 8.360 nan 0.000 0.482 143 G N 1.737 110.569 108.800 0.053 0.000 2.153 143 G HA2 -0.328 3.664 3.960 0.052 0.000 0.252 143 G HA3 -0.328 3.664 3.960 0.052 0.000 0.252 143 G C 0.532 175.478 174.900 0.076 0.000 0.994 143 G CA 0.403 45.544 45.100 0.068 0.000 0.698 143 G HN 0.459 nan 8.290 nan 0.000 0.521 144 A N -0.382 122.480 122.820 0.070 0.000 2.440 144 A HA 0.642 4.994 4.320 0.052 0.000 0.251 144 A C 0.687 178.352 177.584 0.135 0.000 1.089 144 A CA 0.164 52.248 52.037 0.077 0.000 0.779 144 A CB 0.949 19.972 19.000 0.038 0.000 1.022 144 A HN 1.128 nan 8.150 nan 0.000 0.492 145 V N 3.839 123.841 119.914 0.147 0.000 2.455 145 V HA 0.247 4.398 4.120 0.052 0.000 0.273 145 V C 0.159 176.388 176.094 0.224 0.000 1.045 145 V CA 0.142 62.562 62.300 0.201 0.000 0.976 145 V CB 0.552 32.481 31.823 0.178 0.000 0.993 145 V HN 0.715 nan 8.190 nan 0.000 0.475 146 L N 6.445 127.863 121.223 0.324 0.000 2.356 146 L HA 0.709 5.081 4.340 0.052 0.000 0.277 146 L C -0.877 176.321 176.870 0.546 0.000 0.996 146 L CA -0.348 54.730 54.840 0.396 0.000 0.822 146 L CB 1.844 44.109 42.059 0.344 0.000 1.256 146 L HN 0.418 nan 8.230 nan 0.000 0.413 147 V N 3.149 123.347 119.914 0.474 0.000 2.628 147 V HA 0.668 4.820 4.120 0.052 0.000 0.306 147 V C -0.424 175.967 176.094 0.494 0.000 1.045 147 V CA -0.405 62.139 62.300 0.408 0.000 0.905 147 V CB 2.180 34.149 31.823 0.243 0.000 0.997 147 V HN 0.860 nan 8.190 nan 0.000 0.436 148 S N 5.266 121.259 115.700 0.487 0.000 2.575 148 S HA 0.766 5.267 4.470 0.052 0.000 0.278 148 S C -0.787 174.000 174.600 0.311 0.000 1.139 148 S CA -0.851 57.634 58.200 0.475 0.000 0.954 148 S CB 1.918 65.535 63.200 0.695 0.000 1.054 148 S HN 0.784 nan 8.310 nan 0.000 0.483 149 M N 1.459 121.182 119.600 0.204 0.000 2.528 149 M HA 0.644 5.155 4.480 0.052 0.000 0.318 149 M C -1.194 175.355 176.300 0.415 0.000 1.195 149 M CA -0.400 55.013 55.300 0.188 0.000 1.000 149 M CB 0.339 32.867 32.600 -0.120 0.000 1.615 149 M HN 0.520 nan 8.290 nan 0.000 0.469 150 N N 1.944 120.942 118.700 0.497 0.000 2.524 150 N HA 0.565 5.336 4.740 0.052 0.000 0.283 150 N C -1.356 174.465 175.510 0.517 0.000 1.142 150 N CA 0.009 53.380 53.050 0.535 0.000 0.984 150 N CB 0.626 39.327 38.487 0.358 0.000 1.155 150 N HN 0.720 nan 8.380 nan 0.000 0.467 151 Y N -2.060 118.437 120.300 0.329 0.000 2.524 151 Y HA 0.558 5.139 4.550 0.052 0.000 0.347 151 Y C -0.039 176.000 175.900 0.232 0.000 1.005 151 Y CA -1.330 56.903 58.100 0.221 0.000 1.025 151 Y CB 0.908 39.425 38.460 0.094 0.000 1.275 151 Y HN 0.204 nan 8.280 nan 0.000 0.460 152 R N 1.972 122.597 120.500 0.208 0.000 2.570 152 R HA 0.424 4.796 4.340 0.052 0.000 0.277 152 R C -0.232 176.189 176.300 0.202 0.000 1.039 152 R CA -0.023 56.157 56.100 0.132 0.000 1.065 152 R CB 0.610 30.963 30.300 0.088 0.000 0.964 152 R HN 0.716 nan 8.270 nan 0.000 0.428 153 V N 0.105 120.184 119.914 0.275 0.000 3.166 153 V HA 0.855 5.007 4.120 0.052 0.000 0.317 153 V C 0.880 177.294 176.094 0.533 0.000 1.136 153 V CA -0.171 62.402 62.300 0.456 0.000 1.035 153 V CB 1.182 33.177 31.823 0.287 0.000 1.110 153 V HN 0.976 nan 8.190 nan 0.000 0.450 154 G N 1.975 111.144 108.800 0.614 0.000 2.581 154 G HA2 -0.323 3.668 3.960 0.052 0.000 0.291 154 G HA3 -0.323 3.668 3.960 0.052 0.000 0.291 154 G C 1.053 176.102 174.900 0.248 0.000 1.277 154 G CA 1.695 47.092 45.100 0.495 0.000 0.959 154 G HN 2.322 nan 8.290 nan 0.000 0.554 155 T N -1.617 112.792 114.554 -0.242 0.000 2.737 155 T HA -0.169 4.212 4.350 0.052 0.000 0.269 155 T C 2.097 176.678 174.700 -0.198 0.000 1.040 155 T CA 2.727 64.439 62.100 -0.648 0.000 1.142 155 T CB -0.439 67.902 68.868 -0.878 0.000 0.861 155 T HN 0.578 nan 8.240 nan 0.000 0.456 156 F N 2.190 122.246 119.950 0.178 0.000 2.146 156 F HA 0.242 4.800 4.527 0.052 0.000 0.298 156 F C 2.904 178.735 175.800 0.051 0.000 1.096 156 F CA 0.766 58.830 58.000 0.106 0.000 1.275 156 F CB -1.151 37.850 39.000 0.002 0.000 1.008 156 F HN 0.342 nan 8.300 nan 0.000 0.480 157 G N -1.691 107.195 108.800 0.144 0.000 2.494 157 G HA2 -0.062 3.929 3.960 0.052 0.000 0.216 157 G HA3 -0.062 3.929 3.960 0.052 0.000 0.216 157 G C 0.990 175.411 174.900 -0.797 0.000 1.140 157 G CA 0.462 45.345 45.100 -0.360 0.000 0.801 157 G HN 0.356 nan 8.290 nan 0.000 0.536 158 F N -0.944 119.121 119.950 0.191 0.000 2.871 158 F HA 0.412 4.970 4.527 0.053 0.000 0.344 158 F C 0.584 176.489 175.800 0.173 0.000 1.078 158 F CA -1.048 57.047 58.000 0.159 0.000 1.149 158 F CB 0.257 39.365 39.000 0.180 0.000 1.087 158 F HN -0.098 nan 8.300 nan 0.000 0.557 159 L N 2.435 123.712 121.223 0.090 0.000 2.654 159 L HA 0.383 4.754 4.340 0.052 0.000 0.271 159 L C 0.069 176.898 176.870 -0.068 0.000 1.169 159 L CA -0.032 54.728 54.840 -0.133 0.000 0.947 159 L CB -0.060 41.554 42.059 -0.742 0.000 1.232 159 L HN 0.134 nan 8.230 nan 0.000 0.486 160 A N 6.580 129.442 122.820 0.072 0.000 2.331 160 A HA 0.652 5.004 4.320 0.052 0.000 0.320 160 A C -0.762 176.822 177.584 0.001 0.000 1.138 160 A CA -0.626 51.427 52.037 0.027 0.000 0.790 160 A CB 1.070 20.115 19.000 0.075 0.000 1.206 160 A HN 0.735 nan 8.150 nan 0.000 0.470 161 L N 3.922 125.126 121.223 -0.032 0.000 2.360 161 L HA 0.297 4.668 4.340 0.052 0.000 0.265 161 L C -2.390 174.481 176.870 0.002 0.000 1.066 161 L CA -1.830 52.999 54.840 -0.018 0.000 0.929 161 L CB 1.282 43.317 42.059 -0.039 0.000 1.306 161 L HN 0.428 nan 8.230 nan 0.000 0.434 162 P HA 0.040 nan 4.420 nan 0.000 0.264 162 P C 0.978 178.288 177.300 0.017 0.000 1.183 162 P CA 0.767 63.879 63.100 0.019 0.000 0.763 162 P CB 0.905 32.617 31.700 0.019 0.000 0.807 163 G N 1.739 110.552 108.800 0.022 0.000 2.253 163 G HA2 -0.259 3.732 3.960 0.052 0.000 0.251 163 G HA3 -0.259 3.732 3.960 0.052 0.000 0.251 163 G C 0.435 175.347 174.900 0.020 0.000 0.998 163 G CA 0.312 45.425 45.100 0.021 0.000 0.621 163 G HN 0.799 nan 8.290 nan 0.000 0.524 164 S N -0.131 115.580 115.700 0.018 0.000 2.593 164 S HA 0.559 5.061 4.470 0.052 0.000 0.269 164 S C 1.247 175.864 174.600 0.028 0.000 1.334 164 S CA 0.455 58.666 58.200 0.019 0.000 1.015 164 S CB 1.911 65.117 63.200 0.010 0.000 0.912 164 S HN 0.467 nan 8.310 nan 0.000 0.541 165 R N 0.646 121.165 120.500 0.031 0.000 2.127 165 R HA -0.014 4.358 4.340 0.052 0.000 0.217 165 R C 1.167 177.495 176.300 0.048 0.000 1.074 165 R CA 1.141 57.264 56.100 0.038 0.000 0.991 165 R CB -0.088 30.233 30.300 0.034 0.000 0.895 165 R HN 0.910 nan 8.270 nan 0.000 0.450 166 E N -0.899 119.332 120.200 0.051 0.000 2.481 166 E HA 0.099 4.480 4.350 0.052 0.000 0.198 166 E C -0.253 176.410 176.600 0.106 0.000 1.027 166 E CA 0.212 56.658 56.400 0.077 0.000 0.900 166 E CB 1.138 30.886 29.700 0.080 0.000 0.993 166 E HN 0.197 nan 8.360 nan 0.000 0.482 167 A N 2.418 125.274 122.820 0.059 0.000 3.474 167 A HA 0.328 4.680 4.320 0.052 0.000 0.251 167 A C -2.102 175.496 177.584 0.023 0.000 1.062 167 A CA -0.804 51.256 52.037 0.037 0.000 0.945 167 A CB 0.707 19.644 19.000 -0.105 0.000 1.296 167 A HN -0.079 nan 8.150 nan 0.000 0.592 168 P HA 0.078 nan 4.420 nan 0.000 0.225 168 P C 0.958 178.284 177.300 0.044 0.000 1.148 168 P CA 2.017 65.143 63.100 0.044 0.000 0.779 168 P CB 0.100 31.834 31.700 0.057 0.000 0.780 169 G N 0.545 109.369 108.800 0.041 0.000 2.707 169 G HA2 -0.159 3.833 3.960 0.052 0.000 0.686 169 G HA3 -0.159 3.833 3.960 0.052 0.000 0.686 169 G C -0.215 174.695 174.900 0.016 0.000 1.315 169 G CA -0.315 44.813 45.100 0.047 0.000 0.832 169 G HN 0.142 nan 8.290 nan 0.000 0.573 170 N N -2.451 116.259 118.700 0.017 0.000 2.782 170 N HA -0.262 4.509 4.740 0.052 0.000 0.251 170 N C 1.717 177.078 175.510 -0.249 0.000 1.101 170 N CA 2.356 55.350 53.050 -0.094 0.000 0.764 170 N CB -1.778 36.587 38.487 -0.202 0.000 1.122 170 N HN 1.907 nan 8.380 nan 0.000 0.561 171 V N -3.014 116.742 119.914 -0.264 0.000 2.548 171 V HA 0.103 4.254 4.120 0.052 0.000 0.249 171 V C 2.313 178.273 176.094 -0.223 0.000 1.055 171 V CA 2.088 64.287 62.300 -0.168 0.000 1.065 171 V CB -0.778 31.005 31.823 -0.067 0.000 0.681 171 V HN 0.253 nan 8.190 nan 0.000 0.462 172 G N 0.681 109.138 108.800 -0.572 0.000 2.442 172 G HA2 -0.155 3.837 3.960 0.052 0.000 0.219 172 G HA3 -0.155 3.837 3.960 0.052 0.000 0.219 172 G C 1.557 176.441 174.900 -0.027 0.000 1.141 172 G CA 1.276 46.199 45.100 -0.296 0.000 0.763 172 G HN 0.538 nan 8.290 nan 0.000 0.554 173 L N -0.305 120.832 121.223 -0.143 0.000 2.179 173 L HA 0.140 4.512 4.340 0.052 0.000 0.208 173 L C 2.809 179.636 176.870 -0.071 0.000 1.096 173 L CA 0.190 54.888 54.840 -0.237 0.000 0.779 173 L CB -0.270 41.281 42.059 -0.846 0.000 0.922 173 L HN 0.179 nan 8.230 nan 0.000 0.443 174 L N -0.474 120.722 121.223 -0.045 0.000 2.072 174 L HA -0.192 4.180 4.340 0.052 0.000 0.205 174 L C 2.237 179.230 176.870 0.206 0.000 1.079 174 L CA 0.928 55.868 54.840 0.165 0.000 0.752 174 L CB -0.553 41.589 42.059 0.137 0.000 0.906 174 L HN 0.262 nan 8.230 nan 0.000 0.436 175 D N 0.107 120.618 120.400 0.184 0.000 2.154 175 D HA -0.266 4.406 4.640 0.052 0.000 0.190 175 D C 2.226 178.701 176.300 0.291 0.000 1.003 175 D CA 1.483 55.685 54.000 0.337 0.000 0.849 175 D CB -0.296 40.711 40.800 0.346 0.000 0.942 175 D HN 0.403 nan 8.370 nan 0.000 0.446 176 Q N -0.114 119.778 119.800 0.153 0.000 2.061 176 Q HA -0.158 4.214 4.340 0.052 0.000 0.204 176 Q C 2.328 178.335 176.000 0.012 0.000 0.984 176 Q CA 1.177 56.984 55.803 0.005 0.000 0.846 176 Q CB -0.165 28.576 28.738 0.004 0.000 0.902 176 Q HN 0.243 nan 8.270 nan 0.000 0.421 177 R N 0.600 121.244 120.500 0.239 0.000 2.105 177 R HA -0.194 4.177 4.340 0.052 0.000 0.239 177 R C 2.133 178.513 176.300 0.133 0.000 1.135 177 R CA 1.038 57.274 56.100 0.226 0.000 0.967 177 R CB -0.190 30.350 30.300 0.400 0.000 0.861 177 R HN 0.201 nan 8.270 nan 0.000 0.442 178 L N 0.615 121.939 121.223 0.168 0.000 2.056 178 L HA -0.003 4.368 4.340 0.052 0.000 0.207 178 L C 2.335 179.240 176.870 0.059 0.000 1.078 178 L CA 2.079 57.050 54.840 0.217 0.000 0.749 178 L CB -0.730 41.584 42.059 0.425 0.000 0.901 178 L HN 0.271 nan 8.230 nan 0.000 0.433 179 A N -1.008 121.598 122.820 -0.355 0.000 1.978 179 A HA -0.179 4.172 4.320 0.052 0.000 0.220 179 A C 2.113 179.642 177.584 -0.092 0.000 1.170 179 A CA 1.839 53.525 52.037 -0.586 0.000 0.636 179 A CB -0.725 17.768 19.000 -0.845 0.000 0.810 179 A HN 0.409 nan 8.150 nan 0.000 0.448 180 L N -0.831 120.351 121.223 -0.068 0.000 2.056 180 L HA -0.135 4.237 4.340 0.052 0.000 0.207 180 L C 2.619 179.538 176.870 0.080 0.000 1.078 180 L CA 2.029 56.866 54.840 -0.006 0.000 0.749 180 L CB -1.037 40.977 42.059 -0.075 0.000 0.901 180 L HN 0.433 nan 8.230 nan 0.000 0.433 181 Q N -1.937 117.927 119.800 0.106 0.000 2.061 181 Q HA -0.280 4.092 4.340 0.052 0.000 0.204 181 Q C 2.117 178.208 176.000 0.153 0.000 0.984 181 Q CA 2.277 58.153 55.803 0.122 0.000 0.846 181 Q CB -0.425 28.399 28.738 0.143 0.000 0.902 181 Q HN 0.545 nan 8.270 nan 0.000 0.421 182 W N -0.376 120.944 121.300 0.033 0.000 2.338 182 W HA -0.246 4.445 4.660 0.052 0.000 0.304 182 W C 1.831 178.379 176.519 0.049 0.000 1.212 182 W CA 1.444 58.826 57.345 0.063 0.000 1.264 182 W CB -0.204 29.294 29.460 0.065 0.000 1.142 182 W HN -0.074 nan 8.180 nan 0.000 0.512 183 V N 0.578 120.695 119.914 0.337 0.000 2.343 183 V HA -0.333 3.819 4.120 0.052 0.000 0.247 183 V C 2.530 178.638 176.094 0.024 0.000 1.051 183 V CA 2.015 64.432 62.300 0.195 0.000 1.036 183 V CB -0.931 31.015 31.823 0.204 0.000 0.654 183 V HN 0.181 nan 8.190 nan 0.000 0.451 184 Q N -0.097 119.726 119.800 0.038 0.000 2.096 184 Q HA -0.220 4.151 4.340 0.052 0.000 0.204 184 Q C 2.202 178.175 176.000 -0.046 0.000 0.982 184 Q CA 1.765 57.578 55.803 0.018 0.000 0.850 184 Q CB -0.274 28.484 28.738 0.033 0.000 0.901 184 Q HN 0.717 nan 8.270 nan 0.000 0.422 185 E N -0.500 119.634 120.200 -0.110 0.000 2.299 185 E HA -0.017 4.364 4.350 0.052 0.000 0.193 185 E C 1.142 177.584 176.600 -0.264 0.000 0.998 185 E CA 0.369 56.671 56.400 -0.163 0.000 0.851 185 E CB 0.276 29.876 29.700 -0.167 0.000 0.795 185 E HN 0.310 nan 8.360 nan 0.000 0.492 186 N N -0.224 118.230 118.700 -0.411 0.000 2.239 186 N HA 0.033 4.804 4.740 0.052 0.000 0.208 186 N C 1.393 176.804 175.510 -0.165 0.000 1.200 186 N CA 0.055 52.808 53.050 -0.495 0.000 0.895 186 N CB 0.545 38.258 38.487 -1.289 0.000 1.085 186 N HN 0.035 nan 8.380 nan 0.000 0.500 187 I N 2.272 122.791 120.570 -0.085 0.000 2.493 187 I HA -0.054 4.148 4.170 0.052 0.000 0.254 187 I C 2.165 178.386 176.117 0.173 0.000 1.160 187 I CA 0.496 61.867 61.300 0.118 0.000 1.445 187 I CB -0.186 37.865 38.000 0.085 0.000 1.086 187 I HN 0.048 nan 8.210 nan 0.000 0.433 188 A N 0.544 123.400 122.820 0.059 0.000 1.892 188 A HA -0.235 4.116 4.320 0.052 0.000 0.218 188 A C 2.507 180.102 177.584 0.018 0.000 1.188 188 A CA 1.907 53.963 52.037 0.032 0.000 0.631 188 A CB -1.337 17.656 19.000 -0.011 0.000 0.822 188 A HN 0.471 nan 8.150 nan 0.000 0.447 189 A N -1.986 120.812 122.820 -0.037 0.000 2.148 189 A HA -0.062 4.289 4.320 0.052 0.000 0.222 189 A C 1.570 178.962 177.584 -0.321 0.000 1.161 189 A CA 1.646 53.565 52.037 -0.197 0.000 0.662 189 A CB -0.705 18.106 19.000 -0.314 0.000 0.799 189 A HN 0.540 nan 8.150 nan 0.000 0.466 190 F N -2.244 117.647 119.950 -0.097 0.000 2.678 190 F HA 0.399 4.958 4.527 0.053 0.000 0.305 190 F C 1.829 177.627 175.800 -0.004 0.000 1.090 190 F CA 0.531 58.483 58.000 -0.081 0.000 1.272 190 F CB 0.531 39.497 39.000 -0.058 0.000 1.060 190 F HN 0.335 nan 8.300 nan 0.000 0.576 191 G N 0.113 109.002 108.800 0.148 0.000 2.213 191 G HA2 -0.217 3.774 3.960 0.052 0.000 0.236 191 G HA3 -0.217 3.774 3.960 0.052 0.000 0.236 191 G C 0.884 175.854 174.900 0.117 0.000 0.991 191 G CA -0.280 44.883 45.100 0.106 0.000 0.629 191 G HN 0.696 nan 8.290 nan 0.000 0.517 192 G N 0.010 108.907 108.800 0.161 0.000 2.559 192 G HA2 0.369 4.361 3.960 0.052 0.000 0.235 192 G HA3 0.369 4.361 3.960 0.052 0.000 0.235 192 G C -0.409 174.543 174.900 0.087 0.000 1.266 192 G CA 0.739 45.916 45.100 0.129 0.000 0.847 192 G HN 0.351 nan 8.290 nan 0.000 0.583 193 D N 1.353 121.796 120.400 0.071 0.000 2.454 193 D HA 0.302 4.974 4.640 0.052 0.000 0.225 193 D C -1.384 174.954 176.300 0.063 0.000 1.081 193 D CA -2.417 51.608 54.000 0.043 0.000 0.864 193 D CB 1.715 42.522 40.800 0.012 0.000 1.040 193 D HN 0.078 nan 8.370 nan 0.000 0.517 194 P HA 0.012 nan 4.420 nan 0.000 0.252 194 P C 0.737 178.148 177.300 0.184 0.000 1.265 194 P CA 0.402 63.572 63.100 0.116 0.000 0.775 194 P CB 0.075 31.816 31.700 0.069 0.000 1.128 195 M N -1.968 117.664 119.600 0.054 0.000 2.306 195 M HA 0.127 4.638 4.480 0.052 0.000 0.292 195 M C 0.594 176.497 176.300 -0.662 0.000 1.018 195 M CA 0.286 55.486 55.300 -0.168 0.000 1.007 195 M CB 0.710 33.225 32.600 -0.141 0.000 1.510 195 M HN -0.194 nan 8.290 nan 0.000 0.537 196 S N 1.466 117.025 115.700 -0.235 0.000 2.158 196 S HA 0.429 4.931 4.470 0.052 0.000 0.160 196 S C -0.883 173.818 174.600 0.169 0.000 1.693 196 S CA -0.403 57.710 58.200 -0.146 0.000 1.251 196 S CB 0.346 63.480 63.200 -0.110 0.000 1.153 196 S HN 0.022 nan 8.310 nan 0.000 0.439 197 V N 3.740 123.993 119.914 0.565 0.000 2.370 197 V HA 0.517 4.668 4.120 0.052 0.000 0.283 197 V C 0.133 176.417 176.094 0.317 0.000 1.023 197 V CA -0.363 62.145 62.300 0.347 0.000 0.857 197 V CB 1.745 33.726 31.823 0.263 0.000 0.985 197 V HN 0.677 nan 8.190 nan 0.000 0.443 198 T N 6.675 121.359 114.554 0.217 0.000 2.786 198 T HA 0.572 4.953 4.350 0.052 0.000 0.283 198 T C -0.263 174.577 174.700 0.233 0.000 0.992 198 T CA -0.348 61.883 62.100 0.218 0.000 0.954 198 T CB 0.901 69.849 68.868 0.133 0.000 0.934 198 T HN 0.334 nan 8.240 nan 0.000 0.440 199 L N 5.009 126.344 121.223 0.187 0.000 2.326 199 L HA 0.649 5.020 4.340 0.052 0.000 0.278 199 L C -0.403 176.647 176.870 0.301 0.000 1.092 199 L CA -0.777 54.123 54.840 0.100 0.000 0.810 199 L CB 0.328 42.214 42.059 -0.289 0.000 1.153 199 L HN 0.623 nan 8.230 nan 0.000 0.439 200 F N 0.822 120.803 119.950 0.052 0.000 2.599 200 F HA 0.977 5.535 4.527 0.052 0.000 0.311 200 F C -0.259 175.434 175.800 -0.179 0.000 1.076 200 F CA -1.524 56.538 58.000 0.104 0.000 0.937 200 F CB 1.655 40.876 39.000 0.369 0.000 1.282 200 F HN 0.465 nan 8.300 nan 0.000 0.460 201 G N 1.070 109.602 108.800 -0.448 0.000 2.523 201 G HA2 0.472 4.463 3.960 0.052 0.000 0.291 201 G HA3 0.472 4.463 3.960 0.052 0.000 0.291 201 G C -2.549 172.026 174.900 -0.541 0.000 1.450 201 G CA -0.802 43.565 45.100 -1.221 0.000 0.790 201 G HN 0.892 nan 8.290 nan 0.000 0.496 202 E N 0.111 119.991 120.200 -0.532 0.000 2.299 202 E HA 0.656 5.038 4.350 0.052 0.000 0.265 202 E C 0.798 177.316 176.600 -0.136 0.000 0.911 202 E CA 0.310 56.657 56.400 -0.089 0.000 0.789 202 E CB 2.259 32.058 29.700 0.165 0.000 1.246 202 E HN 0.938 nan 8.360 nan 0.000 0.427 203 S N 2.035 117.727 115.700 -0.015 0.000 4.110 203 S HA -0.407 4.095 4.470 0.052 0.000 0.573 203 S C 1.512 176.182 174.600 0.117 0.000 1.936 203 S CA 2.422 60.693 58.200 0.119 0.000 4.227 203 S CB -1.588 61.568 63.200 -0.074 0.000 0.327 203 S HN 0.945 nan 8.310 nan 0.000 0.532 204 A N 1.033 123.737 122.820 -0.192 0.000 1.940 204 A HA 0.095 4.447 4.320 0.052 0.000 0.219 204 A C 2.651 179.923 177.584 -0.520 0.000 1.176 204 A CA 2.641 54.319 52.037 -0.598 0.000 0.631 204 A CB -1.761 16.355 19.000 -1.473 0.000 0.814 204 A HN 1.736 nan 8.150 nan 0.000 0.446 205 G N -0.549 107.996 108.800 -0.425 0.000 2.469 205 G HA2 -0.074 3.918 3.960 0.052 0.000 0.220 205 G HA3 -0.074 3.918 3.960 0.052 0.000 0.220 205 G C 1.689 176.364 174.900 -0.374 0.000 1.136 205 G CA 1.611 46.411 45.100 -0.500 0.000 0.759 205 G HN 0.841 nan 8.290 nan 0.000 0.562 206 A N 1.113 123.811 122.820 -0.204 0.000 1.872 206 A HA 0.367 4.719 4.320 0.052 0.000 0.214 206 A C 2.851 180.413 177.584 -0.037 0.000 1.187 206 A CA 2.074 54.063 52.037 -0.080 0.000 0.614 206 A CB -0.870 18.150 19.000 0.034 0.000 0.826 206 A HN 0.836 nan 8.150 nan 0.000 0.442 207 A N -0.159 122.679 122.820 0.030 0.000 1.940 207 A HA -0.116 4.236 4.320 0.052 0.000 0.219 207 A C 2.422 180.039 177.584 0.054 0.000 1.176 207 A CA 2.289 54.349 52.037 0.038 0.000 0.631 207 A CB -0.817 18.268 19.000 0.142 0.000 0.814 207 A HN 0.488 nan 8.150 nan 0.000 0.446 208 S N -0.489 115.239 115.700 0.048 0.000 2.357 208 S HA -0.102 4.399 4.470 0.052 0.000 0.221 208 S C 1.881 176.478 174.600 -0.005 0.000 1.031 208 S CA 1.204 59.391 58.200 -0.022 0.000 0.982 208 S CB -0.651 62.472 63.200 -0.128 0.000 0.853 208 S HN 0.326 nan 8.310 nan 0.000 0.458 209 V N 2.099 121.987 119.914 -0.042 0.000 2.282 209 V HA -0.229 3.922 4.120 0.052 0.000 0.249 209 V C 2.639 178.721 176.094 -0.020 0.000 1.057 209 V CA 2.149 64.418 62.300 -0.052 0.000 1.032 209 V CB -1.539 30.216 31.823 -0.114 0.000 0.645 209 V HN 0.616 nan 8.190 nan 0.000 0.447 210 G N -1.337 107.448 108.800 -0.025 0.000 2.418 210 G HA2 -0.264 3.728 3.960 0.052 0.000 0.217 210 G HA3 -0.264 3.728 3.960 0.052 0.000 0.217 210 G C 1.621 176.529 174.900 0.013 0.000 1.158 210 G CA 0.988 46.075 45.100 -0.020 0.000 0.771 210 G HN 0.438 nan 8.290 nan 0.000 0.545 211 M N 0.018 119.612 119.600 -0.010 0.000 2.213 211 M HA -0.048 4.463 4.480 0.052 0.000 0.263 211 M C 2.326 178.671 176.300 0.075 0.000 1.062 211 M CA 1.007 56.322 55.300 0.025 0.000 1.105 211 M CB -0.285 32.303 32.600 -0.019 0.000 1.385 211 M HN 0.266 nan 8.290 nan 0.000 0.417 212 H N -0.220 118.938 119.070 0.146 0.000 2.389 212 H HA -0.033 4.554 4.556 0.052 0.000 0.299 212 H C 2.152 177.654 175.328 0.290 0.000 1.081 212 H CA 1.508 57.641 56.048 0.142 0.000 1.345 212 H CB -0.333 29.355 29.762 -0.124 0.000 1.393 212 H HN 0.419 nan 8.280 nan 0.000 0.520 213 I N 0.921 121.728 120.570 0.395 0.000 2.151 213 I HA -0.277 3.925 4.170 0.052 0.000 0.243 213 I C 2.159 178.459 176.117 0.305 0.000 1.080 213 I CA 1.225 62.783 61.300 0.430 0.000 1.339 213 I CB -0.248 37.870 38.000 0.197 0.000 1.039 213 I HN 0.129 nan 8.210 nan 0.000 0.409 214 L N -0.496 120.848 121.223 0.203 0.000 2.552 214 L HA 0.029 4.400 4.340 0.052 0.000 0.227 214 L C 1.008 177.922 176.870 0.073 0.000 1.146 214 L CA 0.099 55.044 54.840 0.174 0.000 0.858 214 L CB -0.172 41.960 42.059 0.121 0.000 0.969 214 L HN 0.095 nan 8.230 nan 0.000 0.451 215 S N -0.615 115.091 115.700 0.010 0.000 2.456 215 S HA 0.294 4.795 4.470 0.052 0.000 0.316 215 S C 0.662 175.173 174.600 -0.149 0.000 1.089 215 S CA -0.637 57.434 58.200 -0.215 0.000 1.101 215 S CB 1.718 64.450 63.200 -0.779 0.000 0.995 215 S HN 0.115 nan 8.310 nan 0.000 0.468 216 L N 6.664 127.804 121.223 -0.138 0.000 1.994 216 L HA 0.077 4.448 4.340 0.052 0.000 0.208 216 L C -0.924 175.901 176.870 -0.074 0.000 1.071 216 L CA 1.829 56.621 54.840 -0.080 0.000 0.745 216 L CB -0.821 41.197 42.059 -0.069 0.000 0.892 216 L HN 0.528 nan 8.230 nan 0.000 0.431 217 P HA -0.149 nan 4.420 nan 0.000 0.217 217 P C 1.639 178.939 177.300 0.001 0.000 1.148 217 P CA 1.454 64.521 63.100 -0.056 0.000 0.828 217 P CB 0.028 31.683 31.700 -0.075 0.000 0.783 218 S N -1.185 114.529 115.700 0.023 0.000 2.428 218 S HA -0.037 4.464 4.470 0.052 0.000 0.230 218 S C 1.820 176.586 174.600 0.276 0.000 1.014 218 S CA 0.607 58.941 58.200 0.224 0.000 0.957 218 S CB -0.404 63.048 63.200 0.420 0.000 0.784 218 S HN 0.081 nan 8.310 nan 0.000 0.499 219 R N 1.904 122.452 120.500 0.080 0.000 2.152 219 R HA 0.003 4.374 4.340 0.052 0.000 0.232 219 R C 2.143 178.256 176.300 -0.311 0.000 1.117 219 R CA 1.289 57.268 56.100 -0.200 0.000 0.981 219 R CB -1.213 28.998 30.300 -0.148 0.000 0.870 219 R HN 0.557 nan 8.270 nan 0.000 0.451 220 S N -0.062 115.558 115.700 -0.134 0.000 2.650 220 S HA 0.122 4.624 4.470 0.052 0.000 0.219 220 S C 1.558 176.089 174.600 -0.115 0.000 0.960 220 S CA 0.118 58.242 58.200 -0.128 0.000 0.925 220 S CB -0.134 63.033 63.200 -0.054 0.000 0.775 220 S HN 0.202 nan 8.310 nan 0.000 0.525 221 L N 0.408 121.597 121.223 -0.058 0.000 2.766 221 L HA 0.502 4.873 4.340 0.052 0.000 0.242 221 L C -0.110 176.819 176.870 0.099 0.000 1.136 221 L CA -0.312 54.559 54.840 0.053 0.000 0.933 221 L CB -0.007 42.132 42.059 0.133 0.000 1.241 221 L HN 0.513 nan 8.230 nan 0.000 0.522 222 F N -4.045 115.680 119.950 -0.375 0.000 2.807 222 F HA 0.445 5.003 4.527 0.052 0.000 0.316 222 F C 0.110 175.511 175.800 -0.666 0.000 1.162 222 F CA -1.032 56.688 58.000 -0.467 0.000 0.910 222 F CB 0.748 39.650 39.000 -0.164 0.000 1.314 222 F HN -0.185 nan 8.300 nan 0.000 0.454 223 H N -0.517 118.568 119.070 0.026 0.000 2.258 223 H HA 0.419 5.006 4.556 0.052 0.000 0.250 223 H C -0.055 175.270 175.328 -0.004 0.000 0.908 223 H CA 0.003 55.993 56.048 -0.097 0.000 1.096 223 H CB 0.550 30.276 29.762 -0.061 0.000 1.422 223 H HN 0.394 nan 8.280 nan 0.000 0.469 224 R N 0.593 121.236 120.500 0.237 0.000 2.856 224 R HA 0.740 5.111 4.340 0.052 0.000 0.258 224 R C -0.846 175.737 176.300 0.472 0.000 1.066 224 R CA -0.580 55.663 56.100 0.239 0.000 1.045 224 R CB 2.113 32.319 30.300 -0.156 0.000 1.178 224 R HN 0.207 nan 8.270 nan 0.000 0.499 225 A N 0.644 123.764 122.820 0.501 0.000 2.515 225 A HA 0.660 5.011 4.320 0.052 0.000 0.298 225 A C -1.458 176.296 177.584 0.283 0.000 1.059 225 A CA -0.637 51.609 52.037 0.349 0.000 0.698 225 A CB 1.805 20.970 19.000 0.276 0.000 1.289 225 A HN 0.343 nan 8.150 nan 0.000 0.404 226 V N 1.745 121.771 119.914 0.186 0.000 2.638 226 V HA 0.545 4.697 4.120 0.052 0.000 0.306 226 V C -1.171 174.998 176.094 0.124 0.000 1.052 226 V CA -0.296 62.041 62.300 0.061 0.000 0.885 226 V CB 1.489 33.369 31.823 0.095 0.000 0.999 226 V HN 0.704 nan 8.190 nan 0.000 0.424 227 L N 4.882 126.157 121.223 0.086 0.000 2.388 227 L HA 0.501 4.872 4.340 0.052 0.000 0.267 227 L C -0.084 176.886 176.870 0.168 0.000 0.995 227 L CA 0.016 54.902 54.840 0.078 0.000 0.864 227 L CB 1.592 43.655 42.059 0.007 0.000 1.216 227 L HN 0.633 nan 8.230 nan 0.000 0.430 228 Q N 1.806 121.761 119.800 0.260 0.000 2.331 228 Q HA 0.420 4.792 4.340 0.052 0.000 0.257 228 Q C 0.381 176.526 176.000 0.243 0.000 0.957 228 Q CA -0.503 55.535 55.803 0.392 0.000 0.923 228 Q CB 1.267 30.331 28.738 0.543 0.000 1.212 228 Q HN 0.588 nan 8.270 nan 0.000 0.443 229 S N 0.939 116.769 115.700 0.217 0.000 3.641 229 S HA -0.166 4.336 4.470 0.052 0.000 0.346 229 S C 0.020 174.834 174.600 0.357 0.000 1.074 229 S CA 0.605 58.964 58.200 0.266 0.000 1.026 229 S CB -1.119 62.253 63.200 0.287 0.000 0.908 229 S HN 1.016 nan 8.310 nan 0.000 0.479 230 G N -0.684 108.274 108.800 0.264 0.000 2.489 230 G HA2 0.629 4.621 3.960 0.052 0.000 0.291 230 G HA3 0.629 4.621 3.960 0.052 0.000 0.291 230 G C -0.992 173.988 174.900 0.133 0.000 1.487 230 G CA 0.235 45.564 45.100 0.381 0.000 0.795 230 G HN 0.986 nan 8.290 nan 0.000 0.513 231 T N -1.503 113.049 114.554 -0.004 0.000 2.932 231 T HA 0.702 5.083 4.350 0.052 0.000 0.318 231 T C -2.329 172.207 174.700 -0.273 0.000 1.265 231 T CA -1.214 60.802 62.100 -0.140 0.000 1.036 231 T CB 2.971 71.739 68.868 -0.168 0.000 1.209 231 T HN 0.307 nan 8.240 nan 0.000 0.484 232 P HA -0.073 nan 4.420 nan 0.000 0.217 232 P C 0.371 177.504 177.300 -0.278 0.000 1.151 232 P CA 0.846 63.820 63.100 -0.209 0.000 0.828 232 P CB -0.171 31.463 31.700 -0.111 0.000 0.788 233 N N 0.801 119.357 118.700 -0.240 0.000 2.326 233 N HA 0.237 5.009 4.740 0.052 0.000 0.239 233 N C 0.869 176.153 175.510 -0.376 0.000 1.301 233 N CA 0.885 53.790 53.050 -0.242 0.000 0.909 233 N CB 0.018 38.407 38.487 -0.164 0.000 1.156 233 N HN 0.261 nan 8.380 nan 0.000 0.462 234 G N -0.603 107.991 108.800 -0.343 0.000 2.525 234 G HA2 -0.131 3.860 3.960 0.052 0.000 0.685 234 G HA3 -0.131 3.860 3.960 0.052 0.000 0.685 234 G C -2.147 172.474 174.900 -0.465 0.000 1.290 234 G CA -0.220 44.626 45.100 -0.423 0.000 0.915 234 G HN 0.491 nan 8.290 nan 0.000 0.548 235 P HA 0.022 nan 4.420 nan 0.000 0.221 235 P C 1.544 178.721 177.300 -0.206 0.000 1.150 235 P CA 2.500 65.416 63.100 -0.306 0.000 0.800 235 P CB -0.072 31.378 31.700 -0.417 0.000 0.787 236 W N -1.537 119.627 121.300 -0.227 0.000 2.901 236 W HA 0.564 5.255 4.660 0.052 0.000 0.281 236 W C 1.398 177.956 176.519 0.065 0.000 1.167 236 W CA 0.430 57.712 57.345 -0.106 0.000 1.506 236 W CB -0.904 28.479 29.460 -0.127 0.000 0.985 236 W HN -0.166 nan 8.180 nan 0.000 0.590 237 A N 1.930 124.358 122.820 -0.654 0.000 2.014 237 A HA 0.066 4.417 4.320 0.052 0.000 0.218 237 A C 1.251 178.675 177.584 -0.268 0.000 1.163 237 A CA 1.932 53.690 52.037 -0.465 0.000 0.652 237 A CB -0.889 17.576 19.000 -0.890 0.000 0.808 237 A HN 0.257 nan 8.150 nan 0.000 0.449 238 T N -3.227 111.172 114.554 -0.259 0.000 2.901 238 T HA 0.631 5.013 4.350 0.052 0.000 0.293 238 T C -0.568 174.049 174.700 -0.138 0.000 1.084 238 T CA -0.136 61.832 62.100 -0.221 0.000 1.008 238 T CB 1.492 70.241 68.868 -0.200 0.000 1.170 238 T HN 0.844 nan 8.240 nan 0.000 0.509 239 V N -1.118 118.726 119.914 -0.116 0.000 3.102 239 V HA 0.894 5.046 4.120 0.052 0.000 0.312 239 V C 0.287 176.343 176.094 -0.063 0.000 1.135 239 V CA -0.966 61.286 62.300 -0.079 0.000 1.022 239 V CB 1.328 33.108 31.823 -0.071 0.000 1.056 239 V HN 1.329 nan 8.190 nan 0.000 0.436 240 S N 1.506 117.177 115.700 -0.049 0.000 2.624 240 S HA 0.610 5.112 4.470 0.052 0.000 0.263 240 S C 1.434 176.021 174.600 -0.023 0.000 1.287 240 S CA 0.055 58.235 58.200 -0.035 0.000 0.990 240 S CB 1.153 64.334 63.200 -0.031 0.000 0.950 240 S HN 1.881 nan 8.310 nan 0.000 0.561 241 A N 1.619 124.431 122.820 -0.012 0.000 1.892 241 A HA 0.051 4.402 4.320 0.052 0.000 0.218 241 A C 2.245 179.827 177.584 -0.003 0.000 1.188 241 A CA 1.971 54.007 52.037 -0.002 0.000 0.631 241 A CB -1.935 17.067 19.000 0.003 0.000 0.822 241 A HN 1.161 nan 8.150 nan 0.000 0.447 242 G N -0.619 108.176 108.800 -0.008 0.000 2.418 242 G HA2 -0.249 3.743 3.960 0.052 0.000 0.217 242 G HA3 -0.249 3.743 3.960 0.052 0.000 0.217 242 G C 1.455 176.347 174.900 -0.013 0.000 1.158 242 G CA 1.400 46.495 45.100 -0.009 0.000 0.771 242 G HN 0.616 nan 8.290 nan 0.000 0.545 243 E N 0.785 120.972 120.200 -0.022 0.000 2.208 243 E HA 0.163 4.544 4.350 0.052 0.000 0.193 243 E C 2.511 179.088 176.600 -0.039 0.000 0.988 243 E CA 1.252 57.632 56.400 -0.034 0.000 0.828 243 E CB -0.347 29.327 29.700 -0.044 0.000 0.763 243 E HN 0.298 nan 8.360 nan 0.000 0.478 244 A N 1.019 123.827 122.820 -0.020 0.000 1.840 244 A HA -0.107 4.244 4.320 0.052 0.000 0.214 244 A C 2.264 179.872 177.584 0.039 0.000 1.198 244 A CA 1.547 53.589 52.037 0.008 0.000 0.608 244 A CB -0.722 18.297 19.000 0.033 0.000 0.839 244 A HN 0.287 nan 8.150 nan 0.000 0.443 245 R N -0.469 120.046 120.500 0.025 0.000 2.140 245 R HA -0.241 4.131 4.340 0.052 0.000 0.250 245 R C 2.422 178.738 176.300 0.026 0.000 1.150 245 R CA 2.171 58.285 56.100 0.022 0.000 0.966 245 R CB -0.348 29.958 30.300 0.010 0.000 0.869 245 R HN 0.521 nan 8.270 nan 0.000 0.445 246 R N 0.170 120.678 120.500 0.013 0.000 2.062 246 R HA -0.102 4.269 4.340 0.052 0.000 0.231 246 R C 2.325 178.640 176.300 0.024 0.000 1.136 246 R CA 1.916 58.021 56.100 0.009 0.000 0.948 246 R CB -0.093 30.201 30.300 -0.009 0.000 0.845 246 R HN 0.317 nan 8.270 nan 0.000 0.430 247 R N -0.191 120.313 120.500 0.007 0.000 2.090 247 R HA -0.014 4.358 4.340 0.052 0.000 0.228 247 R C 2.318 178.755 176.300 0.228 0.000 1.110 247 R CA 1.084 57.187 56.100 0.006 0.000 0.973 247 R CB -0.290 29.837 30.300 -0.289 0.000 0.869 247 R HN 0.214 nan 8.270 nan 0.000 0.440 248 A N 1.324 124.301 122.820 0.262 0.000 1.834 248 A HA -0.214 4.137 4.320 0.052 0.000 0.216 248 A C 2.325 179.962 177.584 0.088 0.000 1.203 248 A CA 2.322 54.481 52.037 0.203 0.000 0.621 248 A CB -1.412 17.634 19.000 0.077 0.000 0.841 248 A HN 0.466 nan 8.150 nan 0.000 0.446 249 T N -1.076 113.508 114.554 0.051 0.000 2.721 249 T HA -0.252 4.129 4.350 0.052 0.000 0.268 249 T C 1.705 176.437 174.700 0.053 0.000 1.038 249 T CA 1.777 63.898 62.100 0.035 0.000 1.145 249 T CB -0.601 68.281 68.868 0.023 0.000 0.858 249 T HN 0.270 nan 8.240 nan 0.000 0.459 250 L N 0.790 122.058 121.223 0.075 0.000 2.044 250 L HA 0.267 4.638 4.340 0.052 0.000 0.205 250 L C 2.360 179.303 176.870 0.122 0.000 1.075 250 L CA 1.369 56.258 54.840 0.082 0.000 0.747 250 L CB -1.274 40.830 42.059 0.074 0.000 0.903 250 L HN 0.323 nan 8.230 nan 0.000 0.435 251 L N 0.113 121.444 121.223 0.180 0.000 2.012 251 L HA -0.154 4.218 4.340 0.052 0.000 0.210 251 L C 2.538 179.486 176.870 0.131 0.000 1.073 251 L CA 2.208 57.168 54.840 0.200 0.000 0.748 251 L CB -0.949 41.251 42.059 0.234 0.000 0.891 251 L HN 0.294 nan 8.230 nan 0.000 0.431 252 A N -0.459 122.405 122.820 0.074 0.000 1.917 252 A HA -0.304 4.047 4.320 0.052 0.000 0.219 252 A C 2.530 180.153 177.584 0.065 0.000 1.182 252 A CA 2.147 54.214 52.037 0.050 0.000 0.633 252 A CB -0.767 18.242 19.000 0.016 0.000 0.819 252 A HN 0.535 nan 8.150 nan 0.000 0.448 253 R N -0.643 119.892 120.500 0.058 0.000 2.073 253 R HA -0.096 4.276 4.340 0.052 0.000 0.234 253 R C 2.020 178.348 176.300 0.048 0.000 1.134 253 R CA 1.714 57.840 56.100 0.043 0.000 0.952 253 R CB -0.455 29.861 30.300 0.027 0.000 0.850 253 R HN 0.562 nan 8.270 nan 0.000 0.433 254 L N 0.608 121.871 121.223 0.066 0.000 2.265 254 L HA -0.106 4.265 4.340 0.052 0.000 0.215 254 L C 1.885 178.844 176.870 0.148 0.000 1.117 254 L CA 0.647 55.498 54.840 0.018 0.000 0.782 254 L CB -0.098 41.991 42.059 0.050 0.000 0.914 254 L HN 0.152 nan 8.230 nan 0.000 0.441 255 V N -3.711 116.338 119.914 0.226 0.000 3.444 255 V HA 0.532 4.684 4.120 0.052 0.000 0.308 255 V C 1.112 177.288 176.094 0.136 0.000 1.371 255 V CA 0.125 62.572 62.300 0.246 0.000 1.141 255 V CB -0.395 31.556 31.823 0.214 0.000 1.037 255 V HN 0.405 nan 8.190 nan 0.000 0.433 256 G N -0.376 108.482 108.800 0.097 0.000 2.171 256 G HA2 -0.206 3.786 3.960 0.052 0.000 0.238 256 G HA3 -0.206 3.786 3.960 0.052 0.000 0.238 256 G C -0.034 174.898 174.900 0.054 0.000 1.039 256 G CA -0.005 45.135 45.100 0.066 0.000 0.759 256 G HN 0.756 nan 8.290 nan 0.000 0.501 266 D N 0.127 120.531 120.400 0.006 0.000 2.103 266 D HA -0.160 4.511 4.640 0.052 0.000 0.190 266 D C 1.202 177.507 176.300 0.008 0.000 0.997 266 D CA 2.718 56.719 54.000 0.001 0.000 0.833 266 D CB -0.761 40.040 40.800 0.001 0.000 0.961 266 D HN 0.734 nan 8.370 nan 0.000 0.447 267 T N 1.302 115.866 114.554 0.016 0.000 2.624 267 T HA -0.217 4.164 4.350 0.052 0.000 0.268 267 T C 1.772 176.489 174.700 0.028 0.000 1.041 267 T CA 1.678 63.794 62.100 0.026 0.000 1.159 267 T CB -0.484 68.399 68.868 0.025 0.000 0.863 267 T HN 0.329 nan 8.240 nan 0.000 0.434 268 E N 0.350 120.563 120.200 0.022 0.000 2.333 268 E HA 0.017 4.398 4.350 0.052 0.000 0.198 268 E C 2.009 178.623 176.600 0.024 0.000 1.007 268 E CA 0.435 56.848 56.400 0.023 0.000 0.845 268 E CB -0.127 29.584 29.700 0.018 0.000 0.766 268 E HN 0.421 nan 8.360 nan 0.000 0.507 269 L N -0.228 121.006 121.223 0.019 0.000 2.269 269 L HA 0.071 4.442 4.340 0.052 0.000 0.200 269 L C 1.985 178.865 176.870 0.017 0.000 1.069 269 L CA 0.495 55.343 54.840 0.013 0.000 0.804 269 L CB 0.130 42.187 42.059 -0.003 0.000 0.987 269 L HN 0.041 nan 8.230 nan 0.000 0.468 270 I N 0.494 121.073 120.570 0.015 0.000 2.163 270 I HA -0.312 3.889 4.170 0.052 0.000 0.243 270 I C 2.756 178.950 176.117 0.128 0.000 1.085 270 I CA 1.325 62.656 61.300 0.050 0.000 1.347 270 I CB -0.544 37.492 38.000 0.060 0.000 1.044 270 I HN 0.369 nan 8.210 nan 0.000 0.408 271 A N -0.250 122.624 122.820 0.089 0.000 1.903 271 A HA -0.369 3.982 4.320 0.052 0.000 0.219 271 A C 2.547 180.180 177.584 0.081 0.000 1.191 271 A CA 2.365 54.450 52.037 0.080 0.000 0.638 271 A CB -1.581 17.450 19.000 0.052 0.000 0.823 271 A HN 0.654 nan 8.150 nan 0.000 0.451 272 c N -0.700 117.942 118.600 0.069 0.000 2.429 272 c HA -0.014 4.587 4.570 0.052 0.000 0.277 272 c C 2.652 176.796 174.090 0.090 0.000 1.262 272 c CA 1.111 57.479 56.329 0.065 0.000 1.733 272 c CB -1.645 40.895 42.510 0.050 0.000 2.010 272 c HN 0.592 nan 8.230 nan 0.000 0.483 273 L N 0.421 121.715 121.223 0.118 0.000 2.042 273 L HA -0.159 4.212 4.340 0.052 0.000 0.210 273 L C 3.022 180.043 176.870 0.251 0.000 1.076 273 L CA 1.703 56.654 54.840 0.185 0.000 0.749 273 L CB -0.757 41.402 42.059 0.167 0.000 0.893 273 L HN 0.341 nan 8.230 nan 0.000 0.432 274 R N -0.310 120.344 120.500 0.257 0.000 2.139 274 R HA -0.193 4.178 4.340 0.052 0.000 0.243 274 R C 2.258 178.582 176.300 0.040 0.000 1.145 274 R CA 1.995 58.158 56.100 0.104 0.000 0.976 274 R CB -0.692 29.660 30.300 0.086 0.000 0.866 274 R HN 0.552 nan 8.270 nan 0.000 0.449 275 T N -1.193 113.394 114.554 0.054 0.000 3.113 275 T HA 0.013 4.394 4.350 0.052 0.000 0.263 275 T C 0.823 175.537 174.700 0.025 0.000 1.143 275 T CA 0.260 62.378 62.100 0.030 0.000 1.090 275 T CB 0.082 68.971 68.868 0.035 0.000 0.922 275 T HN -0.032 nan 8.240 nan 0.000 0.521 276 R N 2.534 123.058 120.500 0.039 0.000 2.254 276 R HA 0.358 4.730 4.340 0.052 0.000 0.318 276 R C -2.746 173.555 176.300 0.002 0.000 1.031 276 R CA -2.542 53.577 56.100 0.032 0.000 0.905 276 R CB 0.421 30.754 30.300 0.056 0.000 1.050 276 R HN 0.246 nan 8.270 nan 0.000 0.456 277 P HA -0.163 nan 4.420 nan 0.000 0.263 277 P C 0.609 177.850 177.300 -0.098 0.000 1.162 277 P CA 0.466 63.524 63.100 -0.071 0.000 0.758 277 P CB 0.433 32.102 31.700 -0.052 0.000 0.773 278 A N 3.910 126.585 122.820 -0.242 0.000 1.894 278 A HA -0.332 4.019 4.320 0.052 0.000 0.220 278 A C 2.211 179.689 177.584 -0.177 0.000 1.237 278 A CA 2.582 54.418 52.037 -0.334 0.000 0.660 278 A CB -1.532 16.582 19.000 -1.477 0.000 0.835 278 A HN 0.542 nan 8.150 nan 0.000 0.461 279 Q N -0.243 119.403 119.800 -0.257 0.000 2.234 279 Q HA -0.177 4.195 4.340 0.052 0.000 0.206 279 Q C 1.360 177.390 176.000 0.049 0.000 0.980 279 Q CA 2.094 57.955 55.803 0.096 0.000 0.869 279 Q CB -0.421 28.413 28.738 0.160 0.000 0.912 279 Q HN 0.713 nan 8.270 nan 0.000 0.436 280 D N -0.616 119.771 120.400 -0.021 0.000 2.097 280 D HA -0.158 4.513 4.640 0.052 0.000 0.195 280 D C 1.691 177.928 176.300 -0.104 0.000 0.989 280 D CA 0.912 54.862 54.000 -0.083 0.000 0.827 280 D CB -0.228 40.553 40.800 -0.031 0.000 0.966 280 D HN 0.217 nan 8.370 nan 0.000 0.456 281 L N 0.643 121.850 121.223 -0.026 0.000 1.990 281 L HA -0.163 4.209 4.340 0.052 0.000 0.213 281 L C 2.625 179.482 176.870 -0.023 0.000 1.072 281 L CA 1.072 55.875 54.840 -0.062 0.000 0.755 281 L CB -1.027 40.912 42.059 -0.201 0.000 0.889 281 L HN -0.041 nan 8.230 nan 0.000 0.432 282 V N -0.469 119.511 119.914 0.110 0.000 2.407 282 V HA -0.301 3.851 4.120 0.052 0.000 0.248 282 V C 2.239 178.417 176.094 0.140 0.000 1.055 282 V CA 1.691 64.124 62.300 0.223 0.000 1.049 282 V CB -0.623 31.472 31.823 0.454 0.000 0.662 282 V HN 0.418 nan 8.190 nan 0.000 0.455 283 D N -0.626 119.791 120.400 0.029 0.000 2.149 283 D HA -0.180 4.491 4.640 0.052 0.000 0.194 283 D C 1.885 178.095 176.300 -0.150 0.000 1.001 283 D CA 1.572 55.516 54.000 -0.093 0.000 0.849 283 D CB -0.187 40.409 40.800 -0.341 0.000 0.939 283 D HN 0.526 nan 8.370 nan 0.000 0.449 284 H N -0.499 118.493 119.070 -0.130 0.000 2.652 284 H HA 0.181 4.769 4.556 0.052 0.000 0.274 284 H C 1.612 176.802 175.328 -0.229 0.000 1.021 284 H CA -0.125 55.608 56.048 -0.525 0.000 1.187 284 H CB 0.319 29.942 29.762 -0.232 0.000 1.505 284 H HN 0.281 nan 8.280 nan 0.000 0.530 285 E N 0.181 120.435 120.200 0.091 0.000 2.114 285 E HA -0.224 4.157 4.350 0.052 0.000 0.199 285 E C 1.323 178.086 176.600 0.273 0.000 1.008 285 E CA 1.113 57.660 56.400 0.245 0.000 0.810 285 E CB 0.042 29.841 29.700 0.165 0.000 0.739 285 E HN 0.372 nan 8.360 nan 0.000 0.456 286 W N 1.060 122.309 121.300 -0.086 0.000 2.453 286 W HA -0.072 4.619 4.660 0.052 0.000 0.289 286 W C 2.050 178.556 176.519 -0.021 0.000 1.215 286 W CA 1.580 58.859 57.345 -0.109 0.000 1.297 286 W CB -0.714 28.615 29.460 -0.218 0.000 1.113 286 W HN 0.350 nan 8.180 nan 0.000 0.551 287 H N -0.989 118.211 119.070 0.216 0.000 2.520 287 H HA -0.158 4.429 4.556 0.052 0.000 0.295 287 H C 1.760 177.116 175.328 0.048 0.000 1.096 287 H CA 1.773 57.864 56.048 0.071 0.000 1.249 287 H CB -1.382 28.392 29.762 0.021 0.000 1.365 287 H HN 0.040 nan 8.280 nan 0.000 0.556 288 V N -1.284 118.730 119.914 0.166 0.000 3.573 288 V HA 0.141 4.293 4.120 0.052 0.000 0.270 288 V C 0.734 176.833 176.094 0.008 0.000 1.221 288 V CA -0.048 62.305 62.300 0.088 0.000 1.163 288 V CB -0.821 31.052 31.823 0.083 0.000 0.847 288 V HN 0.223 nan 8.190 nan 0.000 0.468 289 L N 2.560 123.800 121.223 0.028 0.000 2.360 289 L HA 0.268 4.639 4.340 0.052 0.000 0.276 289 L C -0.359 176.497 176.870 -0.023 0.000 1.121 289 L CA -1.268 53.572 54.840 0.000 0.000 0.845 289 L CB 1.079 43.161 42.059 0.037 0.000 1.143 289 L HN 0.122 nan 8.230 nan 0.000 0.452 290 P HA -0.138 nan 4.420 nan 0.000 0.218 290 P C -0.056 177.227 177.300 -0.029 0.000 1.148 290 P CA 1.252 64.337 63.100 -0.027 0.000 0.822 290 P CB 0.407 32.091 31.700 -0.026 0.000 0.784 291 Q N -1.311 118.471 119.800 -0.030 0.000 2.458 291 Q HA 0.326 4.697 4.340 0.052 0.000 0.282 291 Q C -0.364 175.607 176.000 -0.049 0.000 1.106 291 Q CA -0.702 55.081 55.803 -0.033 0.000 0.814 291 Q CB 1.414 30.141 28.738 -0.019 0.000 1.425 291 Q HN -0.068 nan 8.270 nan 0.000 0.437 292 E N 1.045 121.213 120.200 -0.053 0.000 1.881 292 E HA 0.165 4.547 4.350 0.052 0.000 0.264 292 E C -0.873 175.706 176.600 -0.034 0.000 1.243 292 E CA 0.071 56.426 56.400 -0.074 0.000 0.965 292 E CB 0.213 29.876 29.700 -0.061 0.000 1.055 292 E HN 0.468 nan 8.360 nan 0.000 0.412 293 S N 3.317 119.002 115.700 -0.024 0.000 2.722 293 S HA 0.626 5.128 4.470 0.052 0.000 0.292 293 S C 0.091 174.740 174.600 0.080 0.000 1.135 293 S CA -0.750 57.465 58.200 0.024 0.000 1.003 293 S CB 0.939 64.153 63.200 0.022 0.000 1.067 293 S HN 0.530 nan 8.310 nan 0.000 0.546 294 I N -2.053 118.570 120.570 0.087 0.000 2.969 294 I HA 0.637 4.839 4.170 0.052 0.000 0.307 294 I C -0.446 175.696 176.117 0.043 0.000 1.149 294 I CA -1.123 60.265 61.300 0.147 0.000 1.008 294 I CB 0.910 39.041 38.000 0.219 0.000 1.232 294 I HN 0.539 nan 8.210 nan 0.000 0.435 295 F N 1.432 121.240 119.950 -0.236 0.000 3.093 295 F HA -0.215 4.343 4.527 0.052 0.000 0.287 295 F C -0.005 175.215 175.800 -0.967 0.000 0.882 295 F CA 0.775 58.314 58.000 -0.768 0.000 1.063 295 F CB -0.871 37.522 39.000 -1.011 0.000 1.097 295 F HN 0.746 nan 8.300 nan 0.000 0.604 296 R N 0.392 120.466 120.500 -0.711 0.000 2.628 296 R HA 0.723 5.095 4.340 0.052 0.000 0.288 296 R C -1.412 174.475 176.300 -0.688 0.000 0.980 296 R CA -0.372 55.391 56.100 -0.562 0.000 0.891 296 R CB 1.066 31.278 30.300 -0.148 0.000 1.188 296 R HN -0.043 nan 8.270 nan 0.000 0.450 297 F N 0.628 120.706 119.950 0.214 0.000 2.576 297 F HA 0.392 4.950 4.527 0.052 0.000 0.313 297 F C 1.143 176.993 175.800 0.082 0.000 1.078 297 F CA -0.919 57.181 58.000 0.168 0.000 0.921 297 F CB 2.289 41.468 39.000 0.298 0.000 1.232 297 F HN 0.454 nan 8.300 nan 0.000 0.459 298 S N 0.550 116.364 115.700 0.190 0.000 2.368 298 S HA 0.016 4.517 4.470 0.052 0.000 0.224 298 S C -0.035 174.271 174.600 -0.491 0.000 1.029 298 S CA 1.150 59.242 58.200 -0.181 0.000 0.988 298 S CB -0.196 62.910 63.200 -0.156 0.000 0.838 298 S HN 0.357 nan 8.310 nan 0.000 0.462 299 F N 1.537 121.624 119.950 0.229 0.000 2.430 299 F HA 0.533 5.092 4.527 0.053 0.000 0.362 299 F C -0.096 175.800 175.800 0.161 0.000 1.103 299 F CA -0.960 57.165 58.000 0.209 0.000 1.045 299 F CB 1.386 40.526 39.000 0.234 0.000 1.276 299 F HN -0.112 nan 8.300 nan 0.000 0.444 300 V N 0.860 120.790 119.914 0.026 0.000 3.160 300 V HA 0.772 4.923 4.120 0.052 0.000 0.310 300 V C -2.910 172.792 176.094 -0.654 0.000 1.181 300 V CA -3.340 58.621 62.300 -0.565 0.000 1.047 300 V CB 2.086 33.764 31.823 -0.242 0.000 1.068 300 V HN 0.236 nan 8.190 nan 0.000 0.441 301 P HA 0.162 nan 4.420 nan 0.000 0.266 301 P C -0.786 176.362 177.300 -0.253 0.000 1.193 301 P CA 0.390 63.169 63.100 -0.534 0.000 0.770 301 P CB 0.580 31.873 31.700 -0.678 0.000 0.836 302 V N 4.468 124.328 119.914 -0.091 0.000 2.495 302 V HA 0.224 4.376 4.120 0.052 0.000 0.298 302 V C -0.419 175.659 176.094 -0.027 0.000 1.031 302 V CA -0.971 61.300 62.300 -0.048 0.000 0.871 302 V CB 2.035 33.864 31.823 0.009 0.000 0.988 302 V HN 0.160 nan 8.190 nan 0.000 0.432 303 V N 7.590 127.485 119.914 -0.033 0.000 2.416 303 V HA 0.122 4.274 4.120 0.052 0.000 0.260 303 V C 0.914 177.015 176.094 0.012 0.000 1.018 303 V CA 0.650 62.946 62.300 -0.007 0.000 1.120 303 V CB -0.079 31.731 31.823 -0.022 0.000 1.081 303 V HN 1.043 nan 8.190 nan 0.000 0.474 304 D N 2.878 123.301 120.400 0.038 0.000 2.398 304 D HA 0.144 4.815 4.640 0.052 0.000 0.210 304 D C 1.530 177.856 176.300 0.044 0.000 1.094 304 D CA 0.512 54.539 54.000 0.044 0.000 0.839 304 D CB 0.549 41.390 40.800 0.067 0.000 0.963 304 D HN 0.684 nan 8.370 nan 0.000 0.506 305 G N 0.833 109.656 108.800 0.039 0.000 2.196 305 G HA2 -0.376 3.615 3.960 0.052 0.000 0.268 305 G HA3 -0.376 3.615 3.960 0.052 0.000 0.268 305 G C 0.586 175.511 174.900 0.041 0.000 0.975 305 G CA 1.011 46.130 45.100 0.031 0.000 0.648 305 G HN 0.526 nan 8.290 nan 0.000 0.538 306 D N -1.281 119.161 120.400 0.069 0.000 3.013 306 D HA 0.218 4.890 4.640 0.052 0.000 0.256 306 D C 1.888 178.248 176.300 0.100 0.000 1.573 306 D CA 0.379 54.427 54.000 0.080 0.000 1.197 306 D CB -0.503 40.355 40.800 0.098 0.000 1.041 306 D HN 0.105 nan 8.370 nan 0.000 0.304 307 F N 1.032 120.989 119.950 0.013 0.000 2.095 307 F HA 0.091 4.649 4.527 0.052 0.000 0.298 307 F C 0.676 176.474 175.800 -0.003 0.000 1.104 307 F CA 1.218 59.223 58.000 0.009 0.000 1.232 307 F CB 0.117 39.119 39.000 0.004 0.000 0.987 307 F HN -0.030 nan 8.300 nan 0.000 0.475 308 L N 0.816 122.193 121.223 0.256 0.000 2.277 308 L HA 0.195 4.566 4.340 0.052 0.000 0.284 308 L C 1.326 178.234 176.870 0.063 0.000 1.028 308 L CA -0.227 54.692 54.840 0.131 0.000 0.835 308 L CB 1.332 43.461 42.059 0.117 0.000 1.215 308 L HN 0.077 nan 8.230 nan 0.000 0.425 309 S N 0.266 115.982 115.700 0.028 0.000 2.515 309 S HA -0.006 4.496 4.470 0.052 0.000 0.231 309 S C 0.410 175.016 174.600 0.010 0.000 0.987 309 S CA 0.413 58.621 58.200 0.013 0.000 0.936 309 S CB 0.046 63.244 63.200 -0.005 0.000 0.766 309 S HN 0.747 nan 8.310 nan 0.000 0.528 310 D N -0.114 120.293 120.400 0.012 0.000 2.792 310 D HA 0.222 4.893 4.640 0.052 0.000 0.335 310 D C -1.089 175.210 176.300 -0.001 0.000 1.353 310 D CA 0.071 54.072 54.000 0.003 0.000 0.839 310 D CB 1.016 41.815 40.800 -0.001 0.000 1.396 310 D HN 0.198 nan 8.370 nan 0.000 0.479 311 T N -0.559 113.988 114.554 -0.012 0.000 2.930 311 T HA 0.296 4.678 4.350 0.052 0.000 0.306 311 T C -1.821 172.866 174.700 -0.022 0.000 1.045 311 T CA -0.769 61.314 62.100 -0.028 0.000 1.134 311 T CB 1.075 69.920 68.868 -0.038 0.000 0.961 311 T HN 0.106 nan 8.240 nan 0.000 0.545 312 P HA -0.132 nan 4.420 nan 0.000 0.217 312 P C 1.316 178.605 177.300 -0.018 0.000 1.151 312 P CA 1.122 64.202 63.100 -0.033 0.000 0.849 312 P CB 0.092 31.739 31.700 -0.089 0.000 0.787 313 E N -0.613 119.564 120.200 -0.037 0.000 2.051 313 E HA -0.134 4.248 4.350 0.052 0.000 0.192 313 E C 2.174 178.777 176.600 0.005 0.000 0.991 313 E CA 1.495 57.882 56.400 -0.022 0.000 0.799 313 E CB -1.115 28.563 29.700 -0.036 0.000 0.748 313 E HN 0.112 nan 8.360 nan 0.000 0.449 314 A N 0.617 123.436 122.820 -0.001 0.000 1.883 314 A HA -0.200 4.152 4.320 0.052 0.000 0.217 314 A C 2.198 179.798 177.584 0.027 0.000 1.186 314 A CA 1.454 53.495 52.037 0.007 0.000 0.624 314 A CB -0.792 18.207 19.000 -0.003 0.000 0.822 314 A HN 0.217 nan 8.150 nan 0.000 0.444 315 L N -0.386 120.862 121.223 0.042 0.000 2.156 315 L HA -0.106 4.266 4.340 0.052 0.000 0.208 315 L C 2.517 179.496 176.870 0.182 0.000 1.095 315 L CA 1.429 56.318 54.840 0.082 0.000 0.770 315 L CB -0.572 41.541 42.059 0.090 0.000 0.914 315 L HN 0.691 nan 8.230 nan 0.000 0.439 316 I N -3.479 117.194 120.570 0.172 0.000 2.876 316 I HA -0.030 4.171 4.170 0.052 0.000 0.264 316 I C 1.968 178.210 176.117 0.209 0.000 1.204 316 I CA 0.850 62.305 61.300 0.258 0.000 1.485 316 I CB -0.339 37.717 38.000 0.094 0.000 1.103 316 I HN 0.098 nan 8.210 nan 0.000 0.446 317 N N 1.641 120.404 118.700 0.106 0.000 2.188 317 N HA -0.129 4.643 4.740 0.052 0.000 0.184 317 N C 1.957 177.500 175.510 0.055 0.000 1.018 317 N CA 2.303 55.397 53.050 0.072 0.000 0.858 317 N CB -0.476 38.033 38.487 0.036 0.000 0.989 317 N HN 0.669 nan 8.380 nan 0.000 0.426 318 T N -3.293 111.277 114.554 0.028 0.000 3.001 318 T HA 0.293 4.674 4.350 0.052 0.000 0.251 318 T C 1.020 175.650 174.700 -0.118 0.000 1.040 318 T CA -0.209 61.872 62.100 -0.031 0.000 0.985 318 T CB -0.048 68.802 68.868 -0.031 0.000 1.011 318 T HN 0.069 nan 8.240 nan 0.000 0.509 319 G N 0.866 109.548 108.800 -0.197 0.000 2.634 319 G HA2 0.421 4.413 3.960 0.052 0.000 0.255 319 G HA3 0.421 4.413 3.960 0.052 0.000 0.255 319 G C -1.169 173.283 174.900 -0.748 0.000 1.205 319 G CA -0.425 44.320 45.100 -0.592 0.000 0.884 319 G HN 0.409 nan 8.290 nan 0.000 0.549 320 D N -0.932 118.995 120.400 -0.789 0.000 2.408 320 D HA 0.487 5.159 4.640 0.052 0.000 0.243 320 D C -0.589 175.401 176.300 -0.518 0.000 1.075 320 D CA -0.651 53.045 54.000 -0.506 0.000 0.832 320 D CB 0.893 41.550 40.800 -0.239 0.000 1.162 320 D HN 0.075 nan 8.370 nan 0.000 0.515 321 F N 1.690 121.641 119.950 0.001 0.000 2.791 321 F HA 0.115 4.674 4.527 0.053 0.000 0.316 321 F C 1.818 177.622 175.800 0.006 0.000 1.134 321 F CA -0.344 57.660 58.000 0.006 0.000 1.222 321 F CB 0.337 39.350 39.000 0.021 0.000 1.034 321 F HN 0.482 nan 8.300 nan 0.000 0.516 322 Q N -0.978 118.894 119.800 0.120 0.000 2.297 322 Q HA -0.073 4.298 4.340 0.052 0.000 0.204 322 Q C -0.148 175.890 176.000 0.062 0.000 0.962 322 Q CA 1.217 57.068 55.803 0.080 0.000 0.879 322 Q CB -0.118 28.642 28.738 0.038 0.000 0.947 322 Q HN 0.145 nan 8.270 nan 0.000 0.462 323 D N 1.096 121.528 120.400 0.054 0.000 3.072 323 D HA 0.294 4.965 4.640 0.052 0.000 0.250 323 D C -1.245 175.082 176.300 0.045 0.000 1.304 323 D CA -0.075 53.946 54.000 0.035 0.000 0.861 323 D CB 0.229 41.035 40.800 0.010 0.000 1.062 323 D HN 0.111 nan 8.370 nan 0.000 0.481 324 L N 0.929 122.200 121.223 0.080 0.000 2.438 324 L HA 0.386 4.757 4.340 0.052 0.000 0.270 324 L C -1.344 175.593 176.870 0.112 0.000 0.972 324 L CA -0.508 54.390 54.840 0.097 0.000 0.831 324 L CB 2.125 44.270 42.059 0.143 0.000 1.273 324 L HN -0.244 nan 8.230 nan 0.000 0.405 325 Q N 3.562 123.446 119.800 0.140 0.000 2.316 325 Q HA 0.802 5.174 4.340 0.052 0.000 0.264 325 Q C -1.185 175.078 176.000 0.438 0.000 0.987 325 Q CA -0.522 55.427 55.803 0.243 0.000 0.852 325 Q CB 2.478 31.309 28.738 0.154 0.000 1.287 325 Q HN 0.531 nan 8.270 nan 0.000 0.448 326 V N 0.250 120.385 119.914 0.369 0.000 2.789 326 V HA 0.700 4.852 4.120 0.052 0.000 0.311 326 V C -1.404 174.623 176.094 -0.111 0.000 1.073 326 V CA -1.139 61.275 62.300 0.189 0.000 0.921 326 V CB 1.825 33.669 31.823 0.034 0.000 1.009 326 V HN 0.611 nan 8.190 nan 0.000 0.426 327 L N 5.804 126.730 121.223 -0.495 0.000 2.316 327 L HA 0.873 5.245 4.340 0.052 0.000 0.280 327 L C -0.381 176.360 176.870 -0.214 0.000 1.006 327 L CA -0.296 54.160 54.840 -0.639 0.000 0.836 327 L CB 1.349 42.507 42.059 -1.501 0.000 1.221 327 L HN 0.864 nan 8.230 nan 0.000 0.418 328 V N 2.056 121.926 119.914 -0.073 0.000 2.914 328 V HA 1.132 5.284 4.120 0.052 0.000 0.314 328 V C 0.005 175.909 176.094 -0.316 0.000 1.084 328 V CA 0.048 62.288 62.300 -0.101 0.000 0.963 328 V CB 1.164 32.889 31.823 -0.162 0.000 1.025 328 V HN 1.025 nan 8.190 nan 0.000 0.432 329 G N 0.529 108.958 108.800 -0.619 0.000 2.441 329 G HA2 0.772 4.764 3.960 0.052 0.000 0.294 329 G HA3 0.772 4.764 3.960 0.052 0.000 0.294 329 G C -1.235 173.287 174.900 -0.630 0.000 1.393 329 G CA 0.094 44.350 45.100 -1.407 0.000 0.796 329 G HN 2.049 nan 8.290 nan 0.000 0.494 330 V N -2.563 117.121 119.914 -0.383 0.000 3.181 330 V HA 0.931 5.083 4.120 0.052 0.000 0.308 330 V C 0.137 176.413 176.094 0.302 0.000 1.214 330 V CA -0.294 62.037 62.300 0.052 0.000 1.053 330 V CB 1.148 32.983 31.823 0.019 0.000 1.069 330 V HN 1.949 nan 8.190 nan 0.000 0.441 331 V N -0.866 119.265 119.914 0.361 0.000 3.193 331 V HA 0.602 4.753 4.120 0.052 0.000 0.320 331 V C 1.305 177.600 176.094 0.335 0.000 1.112 331 V CA -0.059 62.509 62.300 0.447 0.000 1.026 331 V CB 1.343 33.435 31.823 0.449 0.000 1.128 331 V HN 1.063 nan 8.190 nan 0.000 0.452 332 K N -0.542 120.050 120.400 0.321 0.000 2.209 332 K HA -0.035 4.317 4.320 0.052 0.000 0.204 332 K C 0.421 177.149 176.600 0.213 0.000 1.048 332 K CA 1.763 58.191 56.287 0.235 0.000 0.940 332 K CB 0.085 32.700 32.500 0.191 0.000 0.729 332 K HN 0.882 nan 8.250 nan 0.000 0.451 333 D N 0.638 121.179 120.400 0.235 0.000 2.938 333 D HA 0.013 4.684 4.640 0.052 0.000 0.369 333 D C 0.137 176.586 176.300 0.249 0.000 1.301 333 D CA -0.052 54.076 54.000 0.213 0.000 0.805 333 D CB 1.038 41.939 40.800 0.169 0.000 1.161 333 D HN 0.102 nan 8.370 nan 0.000 0.474 334 E N 0.571 120.926 120.200 0.258 0.000 2.164 334 E HA -0.195 4.187 4.350 0.052 0.000 0.206 334 E C 1.908 178.688 176.600 0.301 0.000 1.032 334 E CA 1.315 57.892 56.400 0.294 0.000 0.832 334 E CB -0.009 29.805 29.700 0.191 0.000 0.742 334 E HN 0.445 nan 8.360 nan 0.000 0.460 335 G N 0.446 109.388 108.800 0.236 0.000 2.662 335 G HA2 -0.135 3.856 3.960 0.052 0.000 0.212 335 G HA3 -0.135 3.856 3.960 0.052 0.000 0.212 335 G C 1.702 176.809 174.900 0.345 0.000 1.141 335 G CA 0.835 46.085 45.100 0.249 0.000 0.797 335 G HN 0.380 nan 8.290 nan 0.000 0.531 336 S N 0.316 116.180 115.700 0.273 0.000 2.359 336 S HA -0.296 4.205 4.470 0.052 0.000 0.223 336 S C 2.088 176.786 174.600 0.163 0.000 1.039 336 S CA 1.455 59.791 58.200 0.226 0.000 1.042 336 S CB -1.053 62.173 63.200 0.043 0.000 0.915 336 S HN 0.450 nan 8.310 nan 0.000 0.439 337 Y N 1.627 121.873 120.300 -0.090 0.000 2.132 337 Y HA -0.274 4.307 4.550 0.052 0.000 0.280 337 Y C 1.858 177.645 175.900 -0.189 0.000 1.193 337 Y CA 2.079 59.954 58.100 -0.376 0.000 1.157 337 Y CB -0.452 37.704 38.460 -0.507 0.000 0.966 337 Y HN 0.293 nan 8.280 nan 0.000 0.511 338 F N -0.701 119.399 119.950 0.250 0.000 2.661 338 F HA -0.098 4.460 4.527 0.051 0.000 0.298 338 F C 1.861 177.808 175.800 0.246 0.000 1.137 338 F CA 0.588 58.732 58.000 0.240 0.000 1.454 338 F CB -0.384 38.629 39.000 0.022 0.000 1.103 338 F HN 0.047 nan 8.300 nan 0.000 0.577 339 L N -0.116 121.289 121.223 0.303 0.000 2.141 339 L HA -0.133 4.238 4.340 0.052 0.000 0.209 339 L C 2.467 179.471 176.870 0.224 0.000 1.094 339 L CA 0.974 55.853 54.840 0.066 0.000 0.763 339 L CB -0.737 41.131 42.059 -0.318 0.000 0.908 339 L HN 0.185 nan 8.230 nan 0.000 0.437 340 V N -4.236 115.866 119.914 0.315 0.000 3.141 340 V HA -0.195 3.956 4.120 0.052 0.000 0.265 340 V C 1.026 177.176 176.094 0.094 0.000 1.126 340 V CA 0.912 63.364 62.300 0.253 0.000 1.141 340 V CB -1.095 30.866 31.823 0.231 0.000 0.743 340 V HN 0.318 nan 8.190 nan 0.000 0.492 341 Y N 1.674 122.153 120.300 0.298 0.000 2.867 341 Y HA 0.692 5.274 4.550 0.052 0.000 0.351 341 Y C 1.462 177.521 175.900 0.266 0.000 1.046 341 Y CA 0.198 58.485 58.100 0.312 0.000 1.520 341 Y CB 0.571 39.247 38.460 0.360 0.000 1.337 341 Y HN 0.370 nan 8.280 nan 0.000 0.525 342 G N -1.050 107.919 108.800 0.283 0.000 2.559 342 G HA2 -0.155 3.837 3.960 0.052 0.000 0.202 342 G HA3 -0.155 3.837 3.960 0.052 0.000 0.202 342 G C -0.665 174.324 174.900 0.149 0.000 0.992 342 G CA -0.529 44.677 45.100 0.176 0.000 0.764 342 G HN 0.035 nan 8.290 nan 0.000 0.525 343 V N 2.836 122.863 119.914 0.188 0.000 2.320 343 V HA 0.397 4.549 4.120 0.052 0.000 0.265 343 V C -1.862 174.419 176.094 0.313 0.000 1.048 343 V CA -1.610 60.810 62.300 0.201 0.000 0.865 343 V CB 1.121 32.997 31.823 0.088 0.000 1.043 343 V HN 0.078 nan 8.190 nan 0.000 0.474 344 P HA 0.226 nan 4.420 nan 0.000 0.266 344 P C 1.062 178.469 177.300 0.179 0.000 1.195 344 P CA 1.244 64.444 63.100 0.165 0.000 0.768 344 P CB 0.687 32.448 31.700 0.102 0.000 0.838 345 G N 0.921 109.758 108.800 0.061 0.000 2.195 345 G HA2 -0.229 3.762 3.960 0.052 0.000 0.246 345 G HA3 -0.229 3.762 3.960 0.052 0.000 0.246 345 G C -0.208 174.477 174.900 -0.357 0.000 0.984 345 G CA -0.547 44.465 45.100 -0.147 0.000 0.633 345 G HN 0.400 nan 8.290 nan 0.000 0.525 346 F N 1.467 121.416 119.950 -0.002 0.000 2.444 346 F HA 0.765 5.323 4.527 0.051 0.000 0.342 346 F C 0.483 176.361 175.800 0.129 0.000 1.121 346 F CA -0.243 57.762 58.000 0.008 0.000 0.997 346 F CB 2.347 41.396 39.000 0.082 0.000 1.130 346 F HN 0.201 nan 8.300 nan 0.000 0.454 347 S N 1.984 117.873 115.700 0.314 0.000 2.537 347 S HA 0.317 4.819 4.470 0.052 0.000 0.270 347 S C 0.226 175.093 174.600 0.446 0.000 1.142 347 S CA -0.937 57.469 58.200 0.344 0.000 0.870 347 S CB 1.312 64.629 63.200 0.196 0.000 1.112 347 S HN 0.697 nan 8.310 nan 0.000 0.466 348 K N 1.519 122.096 120.400 0.294 0.000 2.515 348 K HA 0.133 4.484 4.320 0.052 0.000 0.196 348 K C 0.199 176.831 176.600 0.055 0.000 1.038 348 K CA 1.363 57.736 56.287 0.144 0.000 0.967 348 K CB -0.047 32.293 32.500 -0.266 0.000 0.780 348 K HN 0.413 nan 8.250 nan 0.000 0.483 349 D N 0.364 120.800 120.400 0.060 0.000 2.363 349 D HA 0.059 4.730 4.640 0.052 0.000 0.214 349 D C -0.568 175.760 176.300 0.048 0.000 1.093 349 D CA 0.082 54.088 54.000 0.010 0.000 0.837 349 D CB 0.077 40.873 40.800 -0.007 0.000 0.948 349 D HN 0.546 nan 8.370 nan 0.000 0.507 350 N N -1.505 117.251 118.700 0.094 0.000 3.204 350 N HA 0.156 4.928 4.740 0.052 0.000 0.285 350 N C 0.076 175.631 175.510 0.076 0.000 1.536 350 N CA -0.658 52.420 53.050 0.046 0.000 0.832 350 N CB 0.725 39.194 38.487 -0.030 0.000 1.645 350 N HN -0.352 nan 8.380 nan 0.000 0.586 351 E N -0.529 119.651 120.200 -0.033 0.000 2.511 351 E HA 0.068 4.449 4.350 0.052 0.000 0.196 351 E C -0.487 175.731 176.600 -0.636 0.000 1.066 351 E CA 0.145 56.465 56.400 -0.134 0.000 0.871 351 E CB -0.309 29.360 29.700 -0.051 0.000 0.863 351 E HN 0.538 nan 8.360 nan 0.000 0.520 352 S N 0.100 115.436 115.700 -0.608 0.000 3.581 352 S HA -0.205 4.296 4.470 0.052 0.000 0.354 352 S C 0.153 174.230 174.600 -0.872 0.000 1.059 352 S CA 0.205 57.868 58.200 -0.895 0.000 1.060 352 S CB -1.555 60.779 63.200 -1.444 0.000 0.908 352 S HN 0.321 nan 8.310 nan 0.000 0.475 353 L N 1.716 122.628 121.223 -0.518 0.000 2.456 353 L HA 0.365 4.736 4.340 0.052 0.000 0.277 353 L C 0.702 177.361 176.870 -0.351 0.000 1.124 353 L CA -0.054 54.565 54.840 -0.369 0.000 0.880 353 L CB -0.025 41.901 42.059 -0.222 0.000 1.192 353 L HN 0.405 nan 8.230 nan 0.000 0.463 354 I N 0.224 120.582 120.570 -0.354 0.000 2.793 354 I HA 0.625 4.826 4.170 0.052 0.000 0.313 354 I C 0.607 176.657 176.117 -0.110 0.000 0.998 354 I CA -0.603 60.539 61.300 -0.263 0.000 1.140 354 I CB 1.722 39.555 38.000 -0.279 0.000 1.327 354 I HN 0.526 nan 8.210 nan 0.000 0.491 355 S N 2.416 118.085 115.700 -0.052 0.000 2.652 355 S HA 0.357 4.858 4.470 0.052 0.000 0.270 355 S C 0.974 175.610 174.600 0.060 0.000 1.243 355 S CA -0.497 57.699 58.200 -0.006 0.000 0.999 355 S CB 1.565 64.765 63.200 -0.000 0.000 0.973 355 S HN 0.849 nan 8.310 nan 0.000 0.544 356 R N 1.209 121.748 120.500 0.063 0.000 2.119 356 R HA -0.169 4.202 4.340 0.052 0.000 0.246 356 R C 2.290 178.689 176.300 0.164 0.000 1.146 356 R CA 2.162 58.338 56.100 0.127 0.000 0.962 356 R CB -1.287 29.063 30.300 0.083 0.000 0.863 356 R HN 0.857 nan 8.270 nan 0.000 0.442 357 A N 0.051 122.932 122.820 0.101 0.000 1.877 357 A HA -0.211 4.141 4.320 0.052 0.000 0.216 357 A C 2.097 179.737 177.584 0.093 0.000 1.186 357 A CA 1.668 53.753 52.037 0.080 0.000 0.620 357 A CB -0.563 18.468 19.000 0.051 0.000 0.822 357 A HN 0.550 nan 8.150 nan 0.000 0.443 358 Q N -1.855 118.009 119.800 0.108 0.000 2.226 358 Q HA -0.118 4.253 4.340 0.052 0.000 0.204 358 Q C 1.800 177.932 176.000 0.220 0.000 0.975 358 Q CA 1.454 57.336 55.803 0.132 0.000 0.866 358 Q CB -0.270 28.527 28.738 0.098 0.000 0.915 358 Q HN 0.814 nan 8.270 nan 0.000 0.440 359 F N 0.667 120.668 119.950 0.084 0.000 2.163 359 F HA -0.157 4.405 4.527 0.058 0.000 0.297 359 F C 1.623 177.476 175.800 0.088 0.000 1.094 359 F CA 0.850 58.911 58.000 0.102 0.000 1.290 359 F CB 0.158 39.203 39.000 0.074 0.000 1.017 359 F HN -0.034 nan 8.300 nan 0.000 0.483 360 L N 0.118 121.260 121.223 -0.134 0.000 2.131 360 L HA -0.158 4.213 4.340 0.052 0.000 0.210 360 L C 2.738 179.521 176.870 -0.145 0.000 1.092 360 L CA 1.061 55.766 54.840 -0.224 0.000 0.759 360 L CB -1.459 40.566 42.059 -0.058 0.000 0.903 360 L HN 0.266 nan 8.230 nan 0.000 0.435 361 A N 0.662 123.455 122.820 -0.045 0.000 1.874 361 A HA 0.016 4.367 4.320 0.052 0.000 0.214 361 A C 2.277 179.862 177.584 0.002 0.000 1.189 361 A CA 1.244 53.278 52.037 -0.005 0.000 0.615 361 A CB -1.021 18.000 19.000 0.035 0.000 0.830 361 A HN 0.393 nan 8.150 nan 0.000 0.443 362 G N -1.057 107.767 108.800 0.041 0.000 2.882 362 G HA2 0.185 4.177 3.960 0.052 0.000 0.206 362 G HA3 0.185 4.177 3.960 0.052 0.000 0.206 362 G C 0.966 175.861 174.900 -0.009 0.000 1.155 362 G CA 0.972 46.116 45.100 0.074 0.000 0.800 362 G HN 0.296 nan 8.290 nan 0.000 0.524 363 V N 0.229 120.079 119.914 -0.107 0.000 3.085 363 V HA 0.060 4.211 4.120 0.052 0.000 0.245 363 V C 2.337 178.396 176.094 -0.059 0.000 1.114 363 V CA 0.357 62.576 62.300 -0.134 0.000 1.108 363 V CB 0.084 31.710 31.823 -0.329 0.000 0.798 363 V HN 0.229 nan 8.190 nan 0.000 0.471 364 R N 0.209 120.679 120.500 -0.049 0.000 2.307 364 R HA 0.193 4.565 4.340 0.052 0.000 0.199 364 R C 1.658 177.955 176.300 -0.005 0.000 1.000 364 R CA 0.876 56.963 56.100 -0.022 0.000 1.023 364 R CB -0.384 29.904 30.300 -0.020 0.000 0.908 364 R HN 0.448 nan 8.270 nan 0.000 0.473 365 I N -0.527 120.046 120.570 0.004 0.000 3.081 365 I HA 0.042 4.243 4.170 0.052 0.000 0.274 365 I C 2.168 178.306 176.117 0.034 0.000 1.178 365 I CA 0.761 62.074 61.300 0.022 0.000 1.460 365 I CB -0.077 37.946 38.000 0.038 0.000 1.137 365 I HN 0.131 nan 8.210 nan 0.000 0.443 366 G N 0.574 109.391 108.800 0.028 0.000 2.426 366 G HA2 -0.016 3.976 3.960 0.052 0.000 0.214 366 G HA3 -0.016 3.976 3.960 0.052 0.000 0.214 366 G C 0.865 175.806 174.900 0.067 0.000 1.156 366 G CA 0.375 45.500 45.100 0.043 0.000 0.802 366 G HN 0.185 nan 8.290 nan 0.000 0.534 367 V N 2.442 122.369 119.914 0.022 0.000 2.294 367 V HA 0.225 4.377 4.120 0.052 0.000 0.258 367 V C -1.356 174.743 176.094 0.009 0.000 1.080 367 V CA -1.196 61.085 62.300 -0.032 0.000 1.128 367 V CB 1.114 32.895 31.823 -0.070 0.000 1.323 367 V HN 0.125 nan 8.190 nan 0.000 0.498 368 P HA -0.208 nan 4.420 nan 0.000 0.219 368 P C 1.352 178.658 177.300 0.010 0.000 1.146 368 P CA 1.241 64.351 63.100 0.016 0.000 0.808 368 P CB 0.374 32.084 31.700 0.017 0.000 0.779 369 Q N -0.080 119.733 119.800 0.023 0.000 2.403 369 Q HA 0.130 4.502 4.340 0.052 0.000 0.203 369 Q C 0.610 176.609 176.000 -0.002 0.000 0.932 369 Q CA 0.092 55.902 55.803 0.011 0.000 0.945 369 Q CB -0.632 28.119 28.738 0.023 0.000 1.045 369 Q HN 0.032 nan 8.270 nan 0.000 0.511 370 A N 2.134 124.951 122.820 -0.006 0.000 2.477 370 A HA 0.344 4.695 4.320 0.052 0.000 0.246 370 A C 0.445 178.019 177.584 -0.017 0.000 1.078 370 A CA 0.134 52.161 52.037 -0.016 0.000 0.770 370 A CB 0.202 19.196 19.000 -0.010 0.000 1.011 370 A HN 0.536 nan 8.150 nan 0.000 0.494 371 S N 1.974 117.659 115.700 -0.024 0.000 2.600 371 S HA 0.142 4.644 4.470 0.052 0.000 0.265 371 S C 0.362 174.957 174.600 -0.009 0.000 1.325 371 S CA -0.070 58.118 58.200 -0.019 0.000 1.002 371 S CB 0.530 63.714 63.200 -0.027 0.000 0.921 371 S HN 0.643 nan 8.310 nan 0.000 0.554 372 D N 0.323 120.721 120.400 -0.003 0.000 2.158 372 D HA -0.118 4.553 4.640 0.052 0.000 0.197 372 D C 1.733 178.044 176.300 0.018 0.000 0.995 372 D CA 0.841 54.845 54.000 0.006 0.000 0.846 372 D CB -0.473 40.332 40.800 0.008 0.000 0.941 372 D HN 0.407 nan 8.370 nan 0.000 0.456 373 L N 0.990 122.223 121.223 0.016 0.000 2.017 373 L HA -0.083 4.289 4.340 0.052 0.000 0.208 373 L C 2.177 179.079 176.870 0.052 0.000 1.073 373 L CA 1.834 56.694 54.840 0.034 0.000 0.745 373 L CB -0.902 41.170 42.059 0.022 0.000 0.894 373 L HN 0.005 nan 8.230 nan 0.000 0.432 374 A N -0.717 122.113 122.820 0.016 0.000 1.930 374 A HA -0.063 4.288 4.320 0.052 0.000 0.217 374 A C 2.440 180.060 177.584 0.061 0.000 1.175 374 A CA 1.720 53.766 52.037 0.014 0.000 0.627 374 A CB -1.110 17.855 19.000 -0.059 0.000 0.815 374 A HN 0.569 nan 8.150 nan 0.000 0.443 375 A N -0.230 122.611 122.820 0.035 0.000 1.877 375 A HA -0.180 4.172 4.320 0.052 0.000 0.216 375 A C 1.970 179.585 177.584 0.053 0.000 1.186 375 A CA 2.140 54.194 52.037 0.028 0.000 0.620 375 A CB -0.570 18.428 19.000 -0.004 0.000 0.822 375 A HN 0.539 nan 8.150 nan 0.000 0.443 376 E N 0.013 120.252 120.200 0.066 0.000 2.058 376 E HA -0.113 4.268 4.350 0.052 0.000 0.194 376 E C 2.088 178.774 176.600 0.144 0.000 0.997 376 E CA 1.631 58.087 56.400 0.094 0.000 0.801 376 E CB -0.446 29.305 29.700 0.085 0.000 0.746 376 E HN 0.501 nan 8.360 nan 0.000 0.450 377 A N -0.049 122.878 122.820 0.179 0.000 1.892 377 A HA -0.208 4.144 4.320 0.052 0.000 0.218 377 A C 2.510 180.211 177.584 0.195 0.000 1.188 377 A CA 1.904 54.101 52.037 0.267 0.000 0.631 377 A CB -0.936 18.335 19.000 0.452 0.000 0.822 377 A HN 0.216 nan 8.150 nan 0.000 0.447 378 V N -0.569 119.499 119.914 0.257 0.000 2.343 378 V HA -0.213 3.939 4.120 0.052 0.000 0.247 378 V C 2.563 178.822 176.094 0.276 0.000 1.051 378 V CA 1.923 64.362 62.300 0.230 0.000 1.036 378 V CB -0.637 31.331 31.823 0.243 0.000 0.654 378 V HN 0.379 nan 8.190 nan 0.000 0.451 379 V N -0.149 119.874 119.914 0.182 0.000 2.358 379 V HA -0.211 3.941 4.120 0.052 0.000 0.246 379 V C 2.226 178.541 176.094 0.368 0.000 1.047 379 V CA 1.841 64.275 62.300 0.222 0.000 1.035 379 V CB -0.465 31.392 31.823 0.056 0.000 0.658 379 V HN 0.455 nan 8.190 nan 0.000 0.452 380 L N -0.737 120.683 121.223 0.328 0.000 2.156 380 L HA -0.148 4.223 4.340 0.052 0.000 0.208 380 L C 2.518 179.608 176.870 0.368 0.000 1.095 380 L CA 1.710 56.842 54.840 0.486 0.000 0.770 380 L CB -0.811 41.434 42.059 0.311 0.000 0.914 380 L HN 0.413 nan 8.230 nan 0.000 0.439 381 H N -0.661 118.391 119.070 -0.030 0.000 2.353 381 H HA -0.190 4.400 4.556 0.056 0.000 0.300 381 H C 1.931 177.106 175.328 -0.255 0.000 1.090 381 H CA 1.964 57.817 56.048 -0.326 0.000 1.327 381 H CB -0.004 29.168 29.762 -0.983 0.000 1.383 381 H HN 0.249 nan 8.280 nan 0.000 0.508 382 Y N -0.054 120.314 120.300 0.113 0.000 2.490 382 Y HA 0.079 4.659 4.550 0.051 0.000 0.285 382 Y C 0.885 176.756 175.900 -0.048 0.000 1.117 382 Y CA 0.548 58.726 58.100 0.130 0.000 1.262 382 Y CB 0.191 38.882 38.460 0.385 0.000 1.043 382 Y HN 0.038 nan 8.280 nan 0.000 0.553 383 T N 1.845 116.400 114.554 0.002 0.000 2.871 383 T HA -0.101 4.281 4.350 0.052 0.000 0.296 383 T C -0.165 174.162 174.700 -0.621 0.000 0.998 383 T CA -0.045 61.762 62.100 -0.488 0.000 1.162 383 T CB 0.107 68.347 68.868 -1.046 0.000 0.947 383 T HN 0.089 nan 8.240 nan 0.000 0.536 384 D N 2.261 122.370 120.400 -0.485 0.000 2.374 384 D HA 0.072 4.744 4.640 0.052 0.000 0.240 384 D C 0.194 176.207 176.300 -0.479 0.000 1.229 384 D CA -0.650 53.140 54.000 -0.349 0.000 0.895 384 D CB 0.329 40.979 40.800 -0.250 0.000 1.046 384 D HN 0.619 nan 8.370 nan 0.000 0.498 385 W N 3.026 124.256 121.300 -0.116 0.000 2.525 385 W HA -0.059 4.631 4.660 0.049 0.000 0.259 385 W C 1.899 178.304 176.519 -0.190 0.000 1.253 385 W CA -0.255 57.017 57.345 -0.122 0.000 1.262 385 W CB -0.045 29.356 29.460 -0.098 0.000 1.122 385 W HN 0.422 nan 8.180 nan 0.000 0.607 386 L N -1.276 119.861 121.223 -0.144 0.000 2.093 386 L HA -0.125 4.247 4.340 0.052 0.000 0.208 386 L C 0.480 176.919 176.870 -0.718 0.000 1.085 386 L CA 1.638 56.216 54.840 -0.436 0.000 0.755 386 L CB -1.044 40.676 42.059 -0.565 0.000 0.904 386 L HN 0.028 nan 8.230 nan 0.000 0.435 387 H N -1.535 117.380 119.070 -0.257 0.000 2.386 387 H HA 0.191 4.755 4.556 0.013 0.000 0.232 387 H C -1.744 173.384 175.328 -0.334 0.000 1.416 387 H CA -1.427 54.429 56.048 -0.320 0.000 1.285 387 H CB 0.077 29.511 29.762 -0.547 0.000 1.625 387 H HN -0.003 nan 8.280 nan 0.000 0.521 388 P HA -0.171 nan 4.420 nan 0.000 0.218 388 P C 0.664 177.838 177.300 -0.210 0.000 1.149 388 P CA 1.345 64.252 63.100 -0.321 0.000 0.817 388 P CB 0.652 32.251 31.700 -0.169 0.000 0.785 389 E N -0.940 119.199 120.200 -0.102 0.000 2.526 389 E HA 0.031 4.412 4.350 0.052 0.000 0.208 389 E C -0.014 176.558 176.600 -0.046 0.000 0.997 389 E CA -0.220 56.145 56.400 -0.058 0.000 0.961 389 E CB 0.044 29.733 29.700 -0.019 0.000 1.030 389 E HN 0.175 nan 8.360 nan 0.000 0.483 390 D N 2.237 122.613 120.400 -0.040 0.000 2.389 390 D HA -0.012 4.660 4.640 0.052 0.000 0.263 390 D C -1.722 174.572 176.300 -0.011 0.000 1.255 390 D CA -1.665 52.333 54.000 -0.003 0.000 0.914 390 D CB 1.237 42.061 40.800 0.040 0.000 1.116 390 D HN -0.156 nan 8.370 nan 0.000 0.502 391 P HA -0.135 nan 4.420 nan 0.000 0.215 391 P C 1.356 178.602 177.300 -0.090 0.000 1.153 391 P CA 1.120 64.170 63.100 -0.083 0.000 0.853 391 P CB 0.130 31.768 31.700 -0.104 0.000 0.788 392 T N -1.498 113.018 114.554 -0.064 0.000 2.653 392 T HA -0.229 4.153 4.350 0.052 0.000 0.268 392 T C 1.518 176.157 174.700 -0.102 0.000 1.035 392 T CA 1.834 63.883 62.100 -0.086 0.000 1.154 392 T CB -0.974 67.841 68.868 -0.088 0.000 0.862 392 T HN 0.269 nan 8.240 nan 0.000 0.441 393 H N 0.441 119.443 119.070 -0.112 0.000 2.293 393 H HA 0.094 4.675 4.556 0.042 0.000 0.300 393 H C 2.211 177.422 175.328 -0.194 0.000 1.082 393 H CA 1.301 57.275 56.048 -0.124 0.000 1.308 393 H CB -0.519 29.165 29.762 -0.130 0.000 1.375 393 H HN 0.199 nan 8.280 nan 0.000 0.495 394 L N 0.175 121.315 121.223 -0.139 0.000 2.043 394 L HA -0.238 4.133 4.340 0.052 0.000 0.212 394 L C 2.777 179.517 176.870 -0.218 0.000 1.075 394 L CA 1.514 56.116 54.840 -0.397 0.000 0.752 394 L CB -0.419 41.472 42.059 -0.279 0.000 0.891 394 L HN 0.252 nan 8.230 nan 0.000 0.432 395 R N 0.502 120.963 120.500 -0.065 0.000 2.073 395 R HA -0.186 4.185 4.340 0.052 0.000 0.234 395 R C 1.716 178.116 176.300 0.166 0.000 1.134 395 R CA 2.240 58.396 56.100 0.094 0.000 0.952 395 R CB -0.569 29.632 30.300 -0.166 0.000 0.850 395 R HN 0.392 nan 8.270 nan 0.000 0.433 396 D N 0.562 121.004 120.400 0.071 0.000 2.144 396 D HA -0.103 4.568 4.640 0.052 0.000 0.200 396 D C 1.789 178.155 176.300 0.109 0.000 0.978 396 D CA 1.439 55.509 54.000 0.116 0.000 0.833 396 D CB -0.277 40.547 40.800 0.040 0.000 0.961 396 D HN 0.378 nan 8.370 nan 0.000 0.470 397 A N 0.811 123.642 122.820 0.019 0.000 1.933 397 A HA -0.183 4.168 4.320 0.052 0.000 0.218 397 A C 2.129 179.756 177.584 0.072 0.000 1.175 397 A CA 1.470 53.532 52.037 0.041 0.000 0.628 397 A CB -0.431 18.461 19.000 -0.180 0.000 0.814 397 A HN 0.103 nan 8.150 nan 0.000 0.444 398 M N -0.058 119.619 119.600 0.129 0.000 2.059 398 M HA -0.097 4.414 4.480 0.052 0.000 0.259 398 M C 2.360 178.716 176.300 0.093 0.000 1.072 398 M CA 2.123 57.574 55.300 0.251 0.000 1.117 398 M CB -0.906 31.869 32.600 0.291 0.000 1.320 398 M HN 0.420 nan 8.290 nan 0.000 0.408 399 S N -0.214 115.564 115.700 0.130 0.000 2.368 399 S HA -0.234 4.267 4.470 0.052 0.000 0.226 399 S C 2.036 176.714 174.600 0.129 0.000 1.044 399 S CA 2.252 60.556 58.200 0.173 0.000 1.062 399 S CB -0.813 62.564 63.200 0.295 0.000 0.931 399 S HN 0.638 nan 8.310 nan 0.000 0.440 400 A N 0.909 123.807 122.820 0.130 0.000 1.859 400 A HA -0.071 4.280 4.320 0.052 0.000 0.217 400 A C 2.423 179.996 177.584 -0.019 0.000 1.198 400 A CA 2.124 54.246 52.037 0.142 0.000 0.629 400 A CB -1.438 17.738 19.000 0.294 0.000 0.830 400 A HN 0.492 nan 8.150 nan 0.000 0.446 401 V N -0.419 119.303 119.914 -0.322 0.000 2.250 401 V HA -0.304 3.848 4.120 0.052 0.000 0.250 401 V C 2.593 178.631 176.094 -0.093 0.000 1.060 401 V CA 2.358 64.447 62.300 -0.352 0.000 1.030 401 V CB -0.783 30.916 31.823 -0.207 0.000 0.643 401 V HN 0.398 nan 8.190 nan 0.000 0.445 402 V N 0.238 120.117 119.914 -0.058 0.000 2.453 402 V HA -0.104 4.047 4.120 0.052 0.000 0.247 402 V C 2.521 178.508 176.094 -0.178 0.000 1.048 402 V CA 1.960 64.208 62.300 -0.085 0.000 1.049 402 V CB -1.191 30.629 31.823 -0.005 0.000 0.672 402 V HN 0.618 nan 8.190 nan 0.000 0.457 403 G N -0.032 108.727 108.800 -0.067 0.000 2.434 403 G HA2 -0.229 3.762 3.960 0.052 0.000 0.214 403 G HA3 -0.229 3.762 3.960 0.052 0.000 0.214 403 G C 1.215 176.029 174.900 -0.142 0.000 1.202 403 G CA 1.023 46.089 45.100 -0.057 0.000 0.788 403 G HN 0.491 nan 8.290 nan 0.000 0.539 404 D N 0.064 120.422 120.400 -0.071 0.000 2.092 404 D HA -0.145 4.527 4.640 0.052 0.000 0.193 404 D C 2.115 178.092 176.300 -0.538 0.000 0.994 404 D CA 1.519 55.453 54.000 -0.109 0.000 0.828 404 D CB -0.653 40.309 40.800 0.269 0.000 0.963 404 D HN 0.384 nan 8.370 nan 0.000 0.450 405 H N 0.891 119.375 119.070 -0.977 0.000 2.352 405 H HA -0.033 4.555 4.556 0.052 0.000 0.299 405 H C 1.484 176.327 175.328 -0.809 0.000 1.097 405 H CA 1.801 56.968 56.048 -1.468 0.000 1.311 405 H CB 0.002 28.962 29.762 -1.337 0.000 1.377 405 H HN 0.033 nan 8.280 nan 0.000 0.504 406 N N -1.084 117.133 118.700 -0.804 0.000 2.415 406 N HA 0.026 4.798 4.740 0.052 0.000 0.174 406 N C 1.303 176.520 175.510 -0.488 0.000 1.048 406 N CA 1.009 53.523 53.050 -0.892 0.000 0.895 406 N CB 1.135 38.558 38.487 -1.774 0.000 1.036 406 N HN 0.262 nan 8.380 nan 0.000 0.449 407 V N -0.263 119.425 119.914 -0.376 0.000 3.278 407 V HA 0.048 4.199 4.120 0.052 0.000 0.215 407 V C 2.205 178.235 176.094 -0.106 0.000 1.287 407 V CA 0.226 62.449 62.300 -0.127 0.000 1.302 407 V CB -0.167 31.652 31.823 -0.007 0.000 1.228 407 V HN -0.180 nan 8.190 nan 0.000 0.523 408 V N 0.260 120.117 119.914 -0.095 0.000 2.231 408 V HA -0.352 3.800 4.120 0.052 0.000 0.248 408 V C 2.498 178.540 176.094 -0.087 0.000 1.054 408 V CA 2.780 65.040 62.300 -0.067 0.000 1.015 408 V CB -1.026 30.795 31.823 -0.003 0.000 0.638 408 V HN 0.665 nan 8.190 nan 0.000 0.444 409 c N -0.253 118.291 118.600 -0.092 0.000 2.466 409 c HA 0.004 4.605 4.570 0.052 0.000 0.278 409 c C 0.648 174.687 174.090 -0.086 0.000 1.288 409 c CA 1.051 57.357 56.329 -0.038 0.000 1.722 409 c CB -1.870 40.660 42.510 0.032 0.000 2.017 409 c HN 0.463 nan 8.230 nan 0.000 0.488 410 P HA -0.093 nan 4.420 nan 0.000 0.216 410 P C 1.767 178.984 177.300 -0.139 0.000 1.153 410 P CA 1.423 64.423 63.100 -0.166 0.000 0.858 410 P CB -0.159 31.401 31.700 -0.233 0.000 0.789 411 V N 0.017 119.850 119.914 -0.135 0.000 2.295 411 V HA -0.289 3.862 4.120 0.052 0.000 0.246 411 V C 2.431 178.410 176.094 -0.191 0.000 1.049 411 V CA 2.264 64.469 62.300 -0.158 0.000 1.024 411 V CB -1.686 30.038 31.823 -0.166 0.000 0.648 411 V HN 0.107 nan 8.190 nan 0.000 0.447 412 A N -0.703 122.020 122.820 -0.161 0.000 1.859 412 A HA -0.359 3.992 4.320 0.052 0.000 0.217 412 A C 2.161 179.708 177.584 -0.061 0.000 1.198 412 A CA 2.512 54.472 52.037 -0.128 0.000 0.629 412 A CB -0.743 18.240 19.000 -0.029 0.000 0.830 412 A HN 0.518 nan 8.150 nan 0.000 0.446 413 Q N -0.851 118.930 119.800 -0.032 0.000 2.030 413 Q HA -0.167 4.205 4.340 0.052 0.000 0.204 413 Q C 1.960 177.943 176.000 -0.029 0.000 0.986 413 Q CA 1.901 57.701 55.803 -0.006 0.000 0.843 413 Q CB -0.602 28.131 28.738 -0.008 0.000 0.904 413 Q HN 0.566 nan 8.270 nan 0.000 0.420 414 L N -0.012 121.162 121.223 -0.082 0.000 1.990 414 L HA -0.180 4.192 4.340 0.052 0.000 0.213 414 L C 2.072 178.880 176.870 -0.103 0.000 1.072 414 L CA 2.478 57.256 54.840 -0.104 0.000 0.755 414 L CB -1.136 40.841 42.059 -0.137 0.000 0.889 414 L HN 0.251 nan 8.230 nan 0.000 0.432 415 A N -0.673 122.049 122.820 -0.164 0.000 1.908 415 A HA -0.128 4.224 4.320 0.052 0.000 0.218 415 A C 2.336 179.972 177.584 0.087 0.000 1.181 415 A CA 1.810 53.719 52.037 -0.215 0.000 0.627 415 A CB -1.679 16.903 19.000 -0.697 0.000 0.818 415 A HN 0.574 nan 8.150 nan 0.000 0.445 416 G N -0.455 108.455 108.800 0.184 0.000 2.433 416 G HA2 -0.230 3.761 3.960 0.052 0.000 0.216 416 G HA3 -0.230 3.761 3.960 0.052 0.000 0.216 416 G C 1.706 176.699 174.900 0.155 0.000 1.186 416 G CA 0.867 46.141 45.100 0.290 0.000 0.779 416 G HN 0.464 nan 8.290 nan 0.000 0.543 417 R N 0.331 120.886 120.500 0.092 0.000 2.066 417 R HA 0.066 4.438 4.340 0.052 0.000 0.232 417 R C 2.711 179.084 176.300 0.122 0.000 1.131 417 R CA 0.715 56.875 56.100 0.100 0.000 0.955 417 R CB -1.234 29.120 30.300 0.090 0.000 0.851 417 R HN 0.393 nan 8.270 nan 0.000 0.432 418 L N 0.731 121.973 121.223 0.031 0.000 2.021 418 L HA -0.235 4.136 4.340 0.052 0.000 0.215 418 L C 2.766 179.697 176.870 0.102 0.000 1.074 418 L CA 1.723 56.557 54.840 -0.011 0.000 0.760 418 L CB -0.835 41.124 42.059 -0.166 0.000 0.889 418 L HN 0.198 nan 8.230 nan 0.000 0.433 419 A N -0.024 122.862 122.820 0.109 0.000 1.841 419 A HA -0.142 4.210 4.320 0.052 0.000 0.214 419 A C 2.598 180.235 177.584 0.087 0.000 1.195 419 A CA 1.727 53.824 52.037 0.100 0.000 0.611 419 A CB -0.941 18.134 19.000 0.124 0.000 0.835 419 A HN 0.385 nan 8.150 nan 0.000 0.443 420 A N -0.919 121.956 122.820 0.091 0.000 1.915 420 A HA -0.291 4.060 4.320 0.052 0.000 0.220 420 A C 1.928 179.564 177.584 0.087 0.000 1.198 420 A CA 2.240 54.322 52.037 0.076 0.000 0.647 420 A CB -0.620 18.427 19.000 0.079 0.000 0.825 420 A HN 0.559 nan 8.150 nan 0.000 0.456 421 Q N -1.591 118.294 119.800 0.141 0.000 2.253 421 Q HA 0.384 4.755 4.340 0.052 0.000 0.210 421 Q C 0.971 177.066 176.000 0.157 0.000 0.907 421 Q CA 0.768 56.661 55.803 0.150 0.000 0.948 421 Q CB -0.015 28.862 28.738 0.232 0.000 1.033 421 Q HN 0.989 nan 8.270 nan 0.000 0.471 422 G N -1.180 107.693 108.800 0.122 0.000 2.175 422 G HA2 -0.284 3.708 3.960 0.052 0.000 0.244 422 G HA3 -0.284 3.708 3.960 0.052 0.000 0.244 422 G C 0.270 175.237 174.900 0.111 0.000 0.982 422 G CA -0.101 45.055 45.100 0.093 0.000 0.641 422 G HN 0.590 nan 8.290 nan 0.000 0.527 423 A N 0.132 123.042 122.820 0.150 0.000 2.407 423 A HA 0.678 5.029 4.320 0.052 0.000 0.248 423 A C 0.791 178.406 177.584 0.052 0.000 1.082 423 A CA 0.371 52.477 52.037 0.114 0.000 0.785 423 A CB 0.347 19.396 19.000 0.081 0.000 1.020 423 A HN 0.712 nan 8.150 nan 0.000 0.489 424 R N 1.719 122.242 120.500 0.038 0.000 2.265 424 R HA 0.494 4.865 4.340 0.052 0.000 0.314 424 R C -1.517 174.743 176.300 -0.066 0.000 1.053 424 R CA -0.093 55.987 56.100 -0.032 0.000 0.931 424 R CB 0.428 30.729 30.300 0.002 0.000 1.024 424 R HN 0.468 nan 8.270 nan 0.000 0.457 425 V N 5.759 125.544 119.914 -0.216 0.000 2.588 425 V HA 0.386 4.537 4.120 0.052 0.000 0.304 425 V C -1.276 174.570 176.094 -0.413 0.000 1.042 425 V CA -0.820 61.384 62.300 -0.161 0.000 0.877 425 V CB 1.689 33.522 31.823 0.016 0.000 0.996 425 V HN 0.676 nan 8.190 nan 0.000 0.425 426 Y N 2.272 122.520 120.300 -0.086 0.000 2.341 426 Y HA 0.789 5.370 4.550 0.052 0.000 0.338 426 Y C 0.385 176.349 175.900 0.107 0.000 0.965 426 Y CA -0.493 57.523 58.100 -0.141 0.000 1.108 426 Y CB 2.162 40.131 38.460 -0.818 0.000 1.180 426 Y HN 0.781 nan 8.280 nan 0.000 0.458 427 A N 3.367 126.563 122.820 0.626 0.000 2.356 427 A HA 0.883 5.234 4.320 0.052 0.000 0.323 427 A C -1.711 176.319 177.584 0.743 0.000 1.119 427 A CA -0.660 51.646 52.037 0.450 0.000 0.790 427 A CB 0.951 20.014 19.000 0.104 0.000 1.273 427 A HN 0.762 nan 8.150 nan 0.000 0.452 428 Y N -0.956 119.597 120.300 0.423 0.000 2.615 428 Y HA 0.771 5.352 4.550 0.052 0.000 0.341 428 Y C -1.107 174.966 175.900 0.288 0.000 1.089 428 Y CA -1.499 56.779 58.100 0.296 0.000 1.049 428 Y CB 1.338 39.957 38.460 0.265 0.000 1.296 428 Y HN 0.707 nan 8.280 nan 0.000 0.470 429 I N 2.919 123.765 120.570 0.460 0.000 2.436 429 I HA 0.476 4.677 4.170 0.052 0.000 0.289 429 I C -1.798 174.660 176.117 0.568 0.000 1.010 429 I CA -0.981 60.562 61.300 0.406 0.000 1.098 429 I CB 1.020 39.205 38.000 0.308 0.000 1.266 429 I HN 0.735 nan 8.210 nan 0.000 0.434 430 F N 7.347 127.620 119.950 0.538 0.000 2.424 430 F HA 0.359 4.918 4.527 0.053 0.000 0.356 430 F C 0.862 176.839 175.800 0.295 0.000 1.110 430 F CA 0.231 58.486 58.000 0.425 0.000 1.161 430 F CB 0.850 40.116 39.000 0.443 0.000 1.115 430 F HN 0.590 nan 8.300 nan 0.000 0.507 431 E N 2.685 122.835 120.200 -0.084 0.000 2.562 431 E HA -0.051 4.331 4.350 0.052 0.000 0.214 431 E C -0.551 175.997 176.600 -0.088 0.000 0.979 431 E CA -0.119 56.279 56.400 -0.003 0.000 1.002 431 E CB 0.260 29.953 29.700 -0.011 0.000 1.048 431 E HN 0.523 nan 8.360 nan 0.000 0.488 432 H N 1.758 120.564 119.070 -0.440 0.000 2.742 432 H HA 0.157 4.744 4.556 0.052 0.000 0.302 432 H C -0.270 175.055 175.328 -0.006 0.000 1.069 432 H CA -0.180 55.649 56.048 -0.366 0.000 1.446 432 H CB 0.362 29.694 29.762 -0.717 0.000 1.462 432 H HN -0.167 nan 8.280 nan 0.000 0.499 433 R N 4.155 124.349 120.500 -0.511 0.000 2.234 433 R HA 0.419 4.790 4.340 0.052 0.000 0.324 433 R C -0.466 175.524 176.300 -0.518 0.000 1.054 433 R CA -0.495 55.431 56.100 -0.289 0.000 0.912 433 R CB 0.310 30.524 30.300 -0.143 0.000 1.030 433 R HN 0.840 nan 8.270 nan 0.000 0.455 434 A N 3.157 126.023 122.820 0.078 0.000 2.567 434 A HA -0.031 4.321 4.320 0.052 0.000 0.240 434 A C 1.399 179.110 177.584 0.211 0.000 1.053 434 A CA 0.624 52.959 52.037 0.497 0.000 0.755 434 A CB 0.256 19.660 19.000 0.673 0.000 0.978 434 A HN 1.020 nan 8.150 nan 0.000 0.507 435 S N 1.709 117.584 115.700 0.291 0.000 2.399 435 S HA -0.180 4.321 4.470 0.052 0.000 0.231 435 S C 1.483 176.092 174.600 0.016 0.000 1.022 435 S CA 1.702 59.979 58.200 0.129 0.000 0.983 435 S CB -0.950 62.347 63.200 0.161 0.000 0.803 435 S HN 1.367 nan 8.310 nan 0.000 0.480 436 T N -0.703 113.821 114.554 -0.051 0.000 3.194 436 T HA 0.336 4.718 4.350 0.052 0.000 0.251 436 T C 0.359 174.978 174.700 -0.136 0.000 1.132 436 T CA -0.446 61.539 62.100 -0.192 0.000 1.028 436 T CB -0.674 67.904 68.868 -0.483 0.000 0.976 436 T HN 0.294 nan 8.240 nan 0.000 0.535 437 L N 2.343 123.535 121.223 -0.053 0.000 2.456 437 L HA 0.327 4.698 4.340 0.052 0.000 0.272 437 L C 1.739 178.535 176.870 -0.125 0.000 1.189 437 L CA 0.486 55.279 54.840 -0.079 0.000 0.846 437 L CB 1.215 43.244 42.059 -0.049 0.000 1.111 437 L HN 0.316 nan 8.230 nan 0.000 0.475 438 T N 1.689 116.110 114.554 -0.222 0.000 3.001 438 T HA 0.129 4.510 4.350 0.052 0.000 0.251 438 T C 0.265 174.876 174.700 -0.147 0.000 1.040 438 T CA -0.424 61.514 62.100 -0.270 0.000 0.985 438 T CB -0.071 68.467 68.868 -0.550 0.000 1.011 438 T HN 0.429 nan 8.240 nan 0.000 0.509 439 W N 3.369 124.630 121.300 -0.064 0.000 2.161 439 W HA 0.468 5.159 4.660 0.052 0.000 0.344 439 W C -2.000 174.397 176.519 -0.203 0.000 1.262 439 W CA -2.244 55.033 57.345 -0.114 0.000 1.270 439 W CB 0.212 29.497 29.460 -0.292 0.000 1.126 439 W HN 0.018 nan 8.180 nan 0.000 0.598 440 P HA 0.096 nan 4.420 nan 0.000 0.276 440 P C 0.350 177.556 177.300 -0.157 0.000 1.261 440 P CA -0.144 62.914 63.100 -0.071 0.000 0.800 440 P CB 0.963 32.665 31.700 0.004 0.000 1.066 441 L N -0.211 120.991 121.223 -0.036 0.000 2.131 441 L HA -0.101 4.270 4.340 0.052 0.000 0.210 441 L C 2.563 179.430 176.870 -0.005 0.000 1.092 441 L CA 1.308 56.138 54.840 -0.017 0.000 0.759 441 L CB -1.073 41.008 42.059 0.037 0.000 0.903 441 L HN 0.585 nan 8.230 nan 0.000 0.435 442 W N -0.628 120.703 121.300 0.052 0.000 2.468 442 W HA -0.146 4.545 4.660 0.051 0.000 0.262 442 W C 1.639 178.207 176.519 0.081 0.000 1.241 442 W CA 0.553 57.932 57.345 0.057 0.000 1.232 442 W CB -0.692 28.802 29.460 0.057 0.000 1.124 442 W HN 0.214 nan 8.180 nan 0.000 0.597 443 M N 1.102 120.295 119.600 -0.677 0.000 2.541 443 M HA 0.137 4.649 4.480 0.052 0.000 0.252 443 M C 1.917 178.091 176.300 -0.210 0.000 1.125 443 M CA 1.287 56.165 55.300 -0.704 0.000 1.091 443 M CB -0.480 31.557 32.600 -0.939 0.000 1.420 443 M HN 0.187 nan 8.290 nan 0.000 0.486 444 G N 0.970 109.708 108.800 -0.103 0.000 2.602 444 G HA2 -0.302 3.689 3.960 0.052 0.000 0.310 444 G HA3 -0.302 3.689 3.960 0.052 0.000 0.310 444 G C 0.006 174.917 174.900 0.018 0.000 1.183 444 G CA 0.064 45.163 45.100 -0.002 0.000 0.979 444 G HN 0.261 nan 8.290 nan 0.000 0.545 445 V N 3.882 123.858 119.914 0.104 0.000 2.259 445 V HA 0.453 4.604 4.120 0.052 0.000 0.267 445 V C -1.799 174.449 176.094 0.256 0.000 1.051 445 V CA -0.821 61.604 62.300 0.208 0.000 0.830 445 V CB 1.110 33.112 31.823 0.299 0.000 1.080 445 V HN 0.489 nan 8.190 nan 0.000 0.467 446 P HA 0.143 nan 4.420 nan 0.000 0.274 446 P C -0.116 177.493 177.300 0.515 0.000 1.256 446 P CA -0.455 62.827 63.100 0.302 0.000 0.795 446 P CB 0.370 32.134 31.700 0.106 0.000 1.038 447 H N 0.384 119.626 119.070 0.287 0.000 3.167 447 H HA 0.200 4.787 4.556 0.052 0.000 0.306 447 H C 1.638 176.951 175.328 -0.026 0.000 0.965 447 H CA 2.366 58.495 56.048 0.136 0.000 1.408 447 H CB -0.684 29.101 29.762 0.039 0.000 1.406 447 H HN 0.733 nan 8.280 nan 0.000 0.576 448 G N 3.493 112.130 108.800 -0.272 0.000 2.258 448 G HA2 -0.310 3.681 3.960 0.052 0.000 0.233 448 G HA3 -0.310 3.681 3.960 0.052 0.000 0.233 448 G C 0.681 175.536 174.900 -0.075 0.000 1.006 448 G CA 0.320 45.214 45.100 -0.344 0.000 0.620 448 G HN 0.638 nan 8.290 nan 0.000 0.511 449 Y N 1.933 122.411 120.300 0.297 0.000 2.496 449 Y HA 0.267 4.849 4.550 0.053 0.000 0.313 449 Y C 2.243 178.305 175.900 0.271 0.000 1.184 449 Y CA 0.958 59.270 58.100 0.353 0.000 1.275 449 Y CB 0.391 39.096 38.460 0.407 0.000 1.103 449 Y HN 0.494 nan 8.280 nan 0.000 0.513 450 E N -0.257 119.956 120.200 0.020 0.000 2.431 450 E HA -0.015 4.367 4.350 0.052 0.000 0.200 450 E C 1.492 177.949 176.600 -0.238 0.000 0.995 450 E CA 0.461 56.504 56.400 -0.595 0.000 0.915 450 E CB -0.410 28.523 29.700 -1.279 0.000 0.930 450 E HN 0.538 nan 8.360 nan 0.000 0.496 451 I N 1.872 122.424 120.570 -0.029 0.000 2.142 451 I HA -0.285 3.917 4.170 0.052 0.000 0.240 451 I C 2.245 178.343 176.117 -0.032 0.000 1.078 451 I CA 1.765 63.085 61.300 0.033 0.000 1.343 451 I CB -0.343 37.748 38.000 0.151 0.000 1.046 451 I HN 0.055 nan 8.210 nan 0.000 0.405 452 E N 0.633 120.744 120.200 -0.148 0.000 2.136 452 E HA -0.270 4.111 4.350 0.052 0.000 0.202 452 E C 2.083 178.367 176.600 -0.527 0.000 1.019 452 E CA 1.848 58.035 56.400 -0.355 0.000 0.819 452 E CB -0.370 29.072 29.700 -0.431 0.000 0.739 452 E HN 0.431 nan 8.360 nan 0.000 0.458 453 F N 0.395 120.196 119.950 -0.249 0.000 2.128 453 F HA -0.128 4.431 4.527 0.054 0.000 0.295 453 F C 2.258 177.791 175.800 -0.445 0.000 1.100 453 F CA 0.550 58.344 58.000 -0.343 0.000 1.260 453 F CB -0.283 38.611 39.000 -0.178 0.000 1.009 453 F HN -0.017 nan 8.300 nan 0.000 0.476 454 I N -0.676 119.678 120.570 -0.359 0.000 2.208 454 I HA -0.288 3.914 4.170 0.052 0.000 0.245 454 I C 2.189 178.028 176.117 -0.464 0.000 1.097 454 I CA 1.537 62.450 61.300 -0.645 0.000 1.363 454 I CB -1.647 35.781 38.000 -0.954 0.000 1.051 454 I HN 0.076 nan 8.210 nan 0.000 0.413 455 F N 0.839 120.590 119.950 -0.332 0.000 2.661 455 F HA 0.203 4.762 4.527 0.052 0.000 0.298 455 F C 1.859 177.548 175.800 -0.186 0.000 1.137 455 F CA 0.944 58.810 58.000 -0.224 0.000 1.454 455 F CB -0.174 38.673 39.000 -0.256 0.000 1.103 455 F HN 0.302 nan 8.300 nan 0.000 0.577 456 G N -0.004 108.651 108.800 -0.242 0.000 2.140 456 G HA2 -0.269 3.723 3.960 0.052 0.000 0.211 456 G HA3 -0.269 3.723 3.960 0.052 0.000 0.211 456 G C 0.881 175.200 174.900 -0.968 0.000 1.013 456 G CA 0.196 45.043 45.100 -0.420 0.000 0.705 456 G HN 0.311 nan 8.290 nan 0.000 0.508 457 L N 0.247 120.922 121.223 -0.913 0.000 2.093 457 L HA 0.093 4.464 4.340 0.052 0.000 0.208 457 L C 0.294 176.627 176.870 -0.894 0.000 1.085 457 L CA 2.424 56.632 54.840 -1.053 0.000 0.755 457 L CB -0.639 41.100 42.059 -0.533 0.000 0.904 457 L HN 0.178 nan 8.230 nan 0.000 0.435 458 P HA -0.166 nan 4.420 nan 0.000 0.224 458 P C 1.399 178.498 177.300 -0.334 0.000 1.142 458 P CA 1.027 63.695 63.100 -0.721 0.000 0.778 458 P CB 0.052 31.317 31.700 -0.727 0.000 0.764 459 L N -1.443 119.495 121.223 -0.475 0.000 2.418 459 L HA 0.017 4.389 4.340 0.052 0.000 0.218 459 L C 0.932 177.718 176.870 -0.140 0.000 1.125 459 L CA 0.970 55.650 54.840 -0.267 0.000 0.835 459 L CB -0.869 41.048 42.059 -0.238 0.000 0.953 459 L HN -0.082 nan 8.230 nan 0.000 0.454 460 D N 0.023 120.293 120.400 -0.216 0.000 2.352 460 D HA 0.081 4.752 4.640 0.052 0.000 0.245 460 D C -1.737 174.577 176.300 0.023 0.000 1.224 460 D CA -2.110 51.911 54.000 0.035 0.000 0.879 460 D CB 1.414 42.292 40.800 0.130 0.000 1.057 460 D HN -0.039 nan 8.370 nan 0.000 0.491 461 P HA -0.106 nan 4.420 nan 0.000 0.219 461 P C 1.202 178.515 177.300 0.022 0.000 1.150 461 P CA 0.784 63.901 63.100 0.029 0.000 0.814 461 P CB 0.011 31.726 31.700 0.024 0.000 0.787 462 S N -1.182 114.530 115.700 0.019 0.000 2.584 462 S HA -0.054 4.448 4.470 0.052 0.000 0.240 462 S C 1.467 176.052 174.600 -0.024 0.000 0.975 462 S CA 0.684 58.883 58.200 -0.002 0.000 0.949 462 S CB -1.410 61.791 63.200 0.003 0.000 0.761 462 S HN 0.098 nan 8.310 nan 0.000 0.536 463 L N 0.735 121.950 121.223 -0.013 0.000 2.607 463 L HA 0.269 4.640 4.340 0.052 0.000 0.228 463 L C 0.217 176.970 176.870 -0.194 0.000 1.123 463 L CA -0.130 54.662 54.840 -0.080 0.000 0.890 463 L CB -0.359 41.706 42.059 0.010 0.000 1.103 463 L HN 0.254 nan 8.230 nan 0.000 0.468 464 N N -1.654 116.990 118.700 -0.093 0.000 2.741 464 N HA -0.256 4.516 4.740 0.052 0.000 0.250 464 N C -0.502 174.937 175.510 -0.119 0.000 1.115 464 N CA 0.772 53.762 53.050 -0.100 0.000 0.724 464 N CB -1.934 36.477 38.487 -0.126 0.000 1.090 464 N HN 0.269 nan 8.380 nan 0.000 0.558 465 Y N 1.572 121.858 120.300 -0.022 0.000 2.411 465 Y HA 0.112 4.693 4.550 0.052 0.000 0.333 465 Y C 1.957 177.883 175.900 0.044 0.000 1.186 465 Y CA 0.238 58.355 58.100 0.027 0.000 1.381 465 Y CB 0.496 38.957 38.460 0.001 0.000 1.273 465 Y HN 0.101 nan 8.280 nan 0.000 0.546 466 T N -2.115 112.587 114.554 0.248 0.000 2.795 466 T HA -0.057 4.324 4.350 0.052 0.000 0.314 466 T C 1.380 176.161 174.700 0.136 0.000 1.069 466 T CA 0.040 62.233 62.100 0.154 0.000 1.071 466 T CB 1.018 69.972 68.868 0.143 0.000 0.988 466 T HN 0.843 nan 8.240 nan 0.000 0.543 467 T N 0.075 114.678 114.554 0.081 0.000 2.867 467 T HA -0.105 4.276 4.350 0.052 0.000 0.268 467 T C 1.569 176.300 174.700 0.052 0.000 1.057 467 T CA 1.714 63.849 62.100 0.058 0.000 1.136 467 T CB -0.628 68.261 68.868 0.035 0.000 0.874 467 T HN 0.774 nan 8.240 nan 0.000 0.466 468 E N 0.955 121.181 120.200 0.045 0.000 2.153 468 E HA -0.080 4.302 4.350 0.052 0.000 0.194 468 E C 2.244 178.859 176.600 0.025 0.000 0.988 468 E CA 1.295 57.701 56.400 0.010 0.000 0.811 468 E CB -0.119 29.565 29.700 -0.026 0.000 0.746 468 E HN 0.683 nan 8.360 nan 0.000 0.466 469 E N 0.178 120.438 120.200 0.099 0.000 2.112 469 E HA -0.079 4.302 4.350 0.052 0.000 0.190 469 E C 2.058 178.764 176.600 0.176 0.000 0.979 469 E CA 0.156 56.690 56.400 0.223 0.000 0.814 469 E CB 0.033 30.000 29.700 0.445 0.000 0.762 469 E HN 0.039 nan 8.360 nan 0.000 0.460 470 R N 1.135 121.686 120.500 0.085 0.000 2.112 470 R HA -0.197 4.175 4.340 0.052 0.000 0.242 470 R C 2.181 178.485 176.300 0.007 0.000 1.137 470 R CA 1.500 57.600 56.100 -0.001 0.000 0.944 470 R CB -0.563 29.742 30.300 0.008 0.000 0.857 470 R HN 0.205 nan 8.270 nan 0.000 0.435 471 I N 0.178 120.772 120.570 0.040 0.000 2.286 471 I HA -0.274 3.928 4.170 0.052 0.000 0.248 471 I C 2.288 178.451 176.117 0.076 0.000 1.115 471 I CA 0.928 62.250 61.300 0.035 0.000 1.392 471 I CB -0.354 37.663 38.000 0.029 0.000 1.065 471 I HN 0.123 nan 8.210 nan 0.000 0.418 472 F N 1.901 121.800 119.950 -0.085 0.000 2.051 472 F HA -0.201 4.358 4.527 0.054 0.000 0.296 472 F C 2.520 178.296 175.800 -0.041 0.000 1.122 472 F CA 1.258 59.197 58.000 -0.103 0.000 1.201 472 F CB -0.930 37.940 39.000 -0.216 0.000 0.978 472 F HN 0.033 nan 8.300 nan 0.000 0.472 473 A N 0.242 123.005 122.820 -0.095 0.000 1.971 473 A HA -0.312 4.039 4.320 0.052 0.000 0.222 473 A C 2.168 179.616 177.584 -0.226 0.000 1.182 473 A CA 2.267 54.179 52.037 -0.209 0.000 0.649 473 A CB -0.993 17.882 19.000 -0.209 0.000 0.818 473 A HN 0.678 nan 8.150 nan 0.000 0.458 474 Q N -1.180 118.531 119.800 -0.148 0.000 2.123 474 Q HA -0.129 4.242 4.340 0.052 0.000 0.199 474 Q C 2.400 178.297 176.000 -0.173 0.000 0.966 474 Q CA 1.265 56.990 55.803 -0.130 0.000 0.845 474 Q CB -0.154 28.537 28.738 -0.078 0.000 0.907 474 Q HN 0.685 nan 8.270 nan 0.000 0.439 475 R N 0.452 120.833 120.500 -0.198 0.000 2.070 475 R HA -0.126 4.245 4.340 0.052 0.000 0.233 475 R C 2.402 178.385 176.300 -0.528 0.000 1.137 475 R CA 1.223 57.100 56.100 -0.372 0.000 0.945 475 R CB -0.432 29.728 30.300 -0.232 0.000 0.845 475 R HN 0.183 nan 8.270 nan 0.000 0.430 476 L N 0.212 121.245 121.223 -0.317 0.000 1.989 476 L HA -0.204 4.167 4.340 0.052 0.000 0.211 476 L C 2.609 179.449 176.870 -0.051 0.000 1.071 476 L CA 1.546 56.322 54.840 -0.108 0.000 0.749 476 L CB -0.493 41.339 42.059 -0.379 0.000 0.890 476 L HN 0.186 nan 8.230 nan 0.000 0.431 477 M N -0.601 118.891 119.600 -0.180 0.000 2.144 477 M HA -0.248 4.264 4.480 0.052 0.000 0.260 477 M C 2.340 178.640 176.300 0.001 0.000 1.067 477 M CA 1.687 56.920 55.300 -0.112 0.000 1.095 477 M CB -0.440 32.082 32.600 -0.129 0.000 1.365 477 M HN 0.141 nan 8.290 nan 0.000 0.406 478 K N -0.475 119.882 120.400 -0.071 0.000 2.155 478 K HA -0.127 4.225 4.320 0.052 0.000 0.203 478 K C 1.832 178.472 176.600 0.067 0.000 1.052 478 K CA 1.321 57.575 56.287 -0.055 0.000 0.948 478 K CB 0.023 32.435 32.500 -0.146 0.000 0.728 478 K HN 0.295 nan 8.250 nan 0.000 0.448 479 Y N -0.414 120.040 120.300 0.256 0.000 2.184 479 Y HA -0.192 4.390 4.550 0.052 0.000 0.290 479 Y C 2.294 178.341 175.900 0.246 0.000 1.129 479 Y CA 0.767 59.044 58.100 0.294 0.000 1.144 479 Y CB -0.738 38.050 38.460 0.547 0.000 0.995 479 Y HN 0.181 nan 8.280 nan 0.000 0.513 480 W N 0.797 122.197 121.300 0.166 0.000 2.335 480 W HA -0.239 4.452 4.660 0.052 0.000 0.311 480 W C 2.477 179.009 176.519 0.022 0.000 1.213 480 W CA 2.388 59.764 57.345 0.052 0.000 1.274 480 W CB -0.702 28.706 29.460 -0.088 0.000 1.148 480 W HN 0.226 nan 8.180 nan 0.000 0.498 481 T N -2.233 112.437 114.554 0.194 0.000 2.951 481 T HA -0.126 4.255 4.350 0.052 0.000 0.268 481 T C 1.409 176.136 174.700 0.045 0.000 1.073 481 T CA 1.116 63.253 62.100 0.062 0.000 1.134 481 T CB -0.512 68.370 68.868 0.023 0.000 0.884 481 T HN -0.053 nan 8.240 nan 0.000 0.479 482 N N 0.812 119.561 118.700 0.082 0.000 2.171 482 N HA 0.044 4.815 4.740 0.052 0.000 0.184 482 N C 1.391 176.895 175.510 -0.011 0.000 1.021 482 N CA 0.858 53.930 53.050 0.036 0.000 0.854 482 N CB -0.621 37.906 38.487 0.065 0.000 0.994 482 N HN 0.458 nan 8.380 nan 0.000 0.426 483 F N 1.996 121.864 119.950 -0.137 0.000 2.126 483 F HA -0.157 4.402 4.527 0.053 0.000 0.299 483 F C 2.170 177.890 175.800 -0.133 0.000 1.096 483 F CA 1.469 59.334 58.000 -0.225 0.000 1.255 483 F CB -0.451 38.326 39.000 -0.373 0.000 0.997 483 F HN 0.032 nan 8.300 nan 0.000 0.479 484 A N 0.533 123.273 122.820 -0.133 0.000 1.908 484 A HA -0.197 4.154 4.320 0.052 0.000 0.218 484 A C 2.368 179.836 177.584 -0.194 0.000 1.181 484 A CA 1.831 53.765 52.037 -0.172 0.000 0.627 484 A CB -0.744 18.224 19.000 -0.053 0.000 0.818 484 A HN 0.473 nan 8.150 nan 0.000 0.445 485 R N -1.226 119.193 120.500 -0.136 0.000 2.075 485 R HA -0.076 4.295 4.340 0.052 0.000 0.232 485 R C 1.951 178.162 176.300 -0.148 0.000 1.126 485 R CA 1.886 57.921 56.100 -0.108 0.000 0.963 485 R CB -0.189 30.074 30.300 -0.061 0.000 0.858 485 R HN 0.737 nan 8.270 nan 0.000 0.435 486 T N -5.802 108.636 114.554 -0.192 0.000 2.986 486 T HA 0.247 4.628 4.350 0.052 0.000 0.264 486 T C 1.161 175.737 174.700 -0.207 0.000 0.964 486 T CA 0.346 62.352 62.100 -0.157 0.000 0.895 486 T CB 1.376 70.185 68.868 -0.098 0.000 1.163 486 T HN 0.324 nan 8.240 nan 0.000 0.517 487 G N 1.429 109.983 108.800 -0.408 0.000 2.162 487 G HA2 -0.178 3.814 3.960 0.052 0.000 0.260 487 G HA3 -0.178 3.814 3.960 0.052 0.000 0.260 487 G C -0.312 174.496 174.900 -0.154 0.000 0.976 487 G CA 0.249 45.061 45.100 -0.480 0.000 0.655 487 G HN 0.830 nan 8.290 nan 0.000 0.533 488 D N -0.710 119.589 120.400 -0.169 0.000 2.616 488 D HA 0.412 5.083 4.640 0.052 0.000 0.238 488 D C -1.309 174.816 176.300 -0.293 0.000 1.354 488 D CA -1.524 52.328 54.000 -0.246 0.000 0.970 488 D CB 1.833 42.594 40.800 -0.066 0.000 1.369 488 D HN 0.000 nan 8.370 nan 0.000 0.585 489 P HA -0.075 nan 4.420 nan 0.000 0.231 489 P C -0.050 177.281 177.300 0.052 0.000 1.158 489 P CA 0.195 63.136 63.100 -0.266 0.000 0.763 489 P CB 0.325 31.538 31.700 -0.811 0.000 0.805 490 N N 1.580 120.262 118.700 -0.029 0.000 2.514 490 N HA 0.029 4.800 4.740 0.052 0.000 0.277 490 N C 0.061 175.642 175.510 0.118 0.000 1.126 490 N CA 0.069 53.200 53.050 0.135 0.000 0.978 490 N CB 0.433 38.984 38.487 0.108 0.000 1.106 490 N HN -0.044 nan 8.380 nan 0.000 0.461 491 D N 2.781 123.271 120.400 0.150 0.000 2.356 491 D HA 0.017 4.688 4.640 0.052 0.000 0.272 491 D C -1.175 175.165 176.300 0.066 0.000 1.337 491 D CA -1.201 52.854 54.000 0.092 0.000 0.970 491 D CB 0.796 41.646 40.800 0.084 0.000 1.092 491 D HN 0.339 nan 8.370 nan 0.000 0.516 492 P HA -0.077 nan 4.420 nan 0.000 0.230 492 P C 0.222 177.542 177.300 0.033 0.000 1.158 492 P CA 0.637 63.758 63.100 0.034 0.000 0.769 492 P CB 0.301 32.011 31.700 0.018 0.000 0.807 493 R N 0.408 120.928 120.500 0.033 0.000 2.502 493 R HA 0.592 4.964 4.340 0.052 0.000 0.298 493 R C -1.007 175.315 176.300 0.037 0.000 1.018 493 R CA -0.501 55.618 56.100 0.032 0.000 0.899 493 R CB -0.042 30.272 30.300 0.024 0.000 1.181 493 R HN 0.097 nan 8.270 nan 0.000 0.444 494 D N 1.496 121.921 120.400 0.042 0.000 3.270 494 D HA -0.106 4.566 4.640 0.052 0.000 0.115 494 D C -0.109 176.225 176.300 0.057 0.000 0.801 494 D CA 0.627 54.656 54.000 0.048 0.000 1.909 494 D CB 0.546 41.379 40.800 0.054 0.000 2.307 494 D HN 0.404 nan 8.370 nan 0.000 0.913 495 S N 3.102 118.832 115.700 0.050 0.000 2.441 495 S HA 0.030 4.531 4.470 0.052 0.000 0.224 495 S C 0.859 175.493 174.600 0.055 0.000 1.043 495 S CA 0.456 58.687 58.200 0.052 0.000 0.948 495 S CB 0.133 63.359 63.200 0.042 0.000 0.810 495 S HN 0.337 nan 8.310 nan 0.000 0.504 496 K N 3.275 123.704 120.400 0.049 0.000 2.253 496 K HA 0.040 4.391 4.320 0.052 0.000 0.273 496 K C 0.406 177.044 176.600 0.064 0.000 1.118 496 K CA 0.086 56.402 56.287 0.048 0.000 1.100 496 K CB -0.115 32.408 32.500 0.038 0.000 0.932 496 K HN 0.575 nan 8.250 nan 0.000 0.433 497 S N 4.494 120.235 115.700 0.069 0.000 3.651 497 S HA 0.456 4.957 4.470 0.052 0.000 0.201 497 S C -2.178 172.476 174.600 0.090 0.000 1.028 497 S CA -0.816 57.440 58.200 0.093 0.000 1.564 497 S CB -0.549 62.707 63.200 0.093 0.000 0.787 497 S HN 0.386 nan 8.310 nan 0.000 0.627 498 P HA 0.365 nan 4.420 nan 0.000 0.277 498 P C -0.921 176.452 177.300 0.122 0.000 1.271 498 P CA -0.517 62.632 63.100 0.081 0.000 0.795 498 P CB 0.250 31.980 31.700 0.051 0.000 1.101 499 Q N -0.299 119.581 119.800 0.133 0.000 2.259 499 Q HA 0.138 4.509 4.340 0.052 0.000 0.249 499 Q C -0.716 175.442 176.000 0.262 0.000 0.914 499 Q CA -0.130 55.789 55.803 0.193 0.000 0.904 499 Q CB 0.775 29.615 28.738 0.171 0.000 1.213 499 Q HN 0.540 nan 8.270 nan 0.000 0.428 500 W N 6.787 128.138 121.300 0.085 0.000 2.507 500 W HA 0.235 4.928 4.660 0.055 0.000 0.334 500 W C -2.416 174.244 176.519 0.234 0.000 1.165 500 W CA -2.339 55.068 57.345 0.103 0.000 1.460 500 W CB 0.129 29.585 29.460 -0.006 0.000 1.404 500 W HN 0.377 nan 8.180 nan 0.000 0.435 501 P HA 0.250 nan 4.420 nan 0.000 0.277 501 P C -2.646 174.889 177.300 0.391 0.000 1.240 501 P CA -1.854 61.483 63.100 0.395 0.000 0.798 501 P CB 0.719 32.561 31.700 0.238 0.000 0.979 502 P HA 0.041 nan 4.420 nan 0.000 0.268 502 P C -0.516 176.777 177.300 -0.012 0.000 1.204 502 P CA 0.152 63.066 63.100 -0.310 0.000 0.768 502 P CB -0.078 31.406 31.700 -0.360 0.000 0.842 503 Y N 3.996 124.254 120.300 -0.070 0.000 2.569 503 Y HA 0.193 4.774 4.550 0.052 0.000 0.332 503 Y C 0.573 176.465 175.900 -0.012 0.000 1.120 503 Y CA 0.648 58.774 58.100 0.044 0.000 1.416 503 Y CB 0.009 38.519 38.460 0.084 0.000 1.210 503 Y HN 0.389 nan 8.280 nan 0.000 0.528 504 T N 0.452 114.761 114.554 -0.408 0.000 2.940 504 T HA 0.304 4.686 4.350 0.052 0.000 0.288 504 T C 0.843 175.259 174.700 -0.473 0.000 1.045 504 T CA -0.262 61.657 62.100 -0.302 0.000 1.018 504 T CB 1.517 70.295 68.868 -0.149 0.000 1.151 504 T HN 0.558 nan 8.240 nan 0.000 0.529 505 T N 0.203 114.623 114.554 -0.223 0.000 2.985 505 T HA 0.147 4.529 4.350 0.052 0.000 0.266 505 T C 2.233 176.855 174.700 -0.130 0.000 1.076 505 T CA 0.689 62.695 62.100 -0.157 0.000 1.135 505 T CB -0.557 68.293 68.868 -0.031 0.000 0.890 505 T HN 0.793 nan 8.240 nan 0.000 0.480 506 A N 2.092 124.845 122.820 -0.110 0.000 1.821 506 A HA 0.369 4.720 4.320 0.052 0.000 0.215 506 A C 2.692 180.227 177.584 -0.082 0.000 1.214 506 A CA 1.485 53.481 52.037 -0.069 0.000 0.608 506 A CB -1.372 17.599 19.000 -0.047 0.000 0.862 506 A HN 0.503 nan 8.150 nan 0.000 0.448 507 A N -2.265 120.494 122.820 -0.101 0.000 1.968 507 A HA 0.065 4.417 4.320 0.052 0.000 0.217 507 A C 1.153 178.682 177.584 -0.091 0.000 1.169 507 A CA 1.351 53.346 52.037 -0.070 0.000 0.638 507 A CB -0.468 18.509 19.000 -0.039 0.000 0.812 507 A HN 0.659 nan 8.150 nan 0.000 0.446 508 Q N -1.083 118.543 119.800 -0.289 0.000 2.494 508 Q HA -0.215 4.156 4.340 0.052 0.000 0.272 508 Q C -0.509 175.590 176.000 0.165 0.000 1.145 508 Q CA 0.683 56.269 55.803 -0.361 0.000 0.943 508 Q CB -1.845 26.884 28.738 -0.016 0.000 1.338 508 Q HN 0.854 nan 8.270 nan 0.000 0.492 509 Q N 0.191 120.060 119.800 0.114 0.000 2.327 509 Q HA 0.477 4.848 4.340 0.052 0.000 0.254 509 Q C -0.426 175.879 176.000 0.508 0.000 0.952 509 Q CA 0.142 56.083 55.803 0.230 0.000 0.884 509 Q CB 0.575 29.389 28.738 0.126 0.000 1.224 509 Q HN 0.323 nan 8.270 nan 0.000 0.422 510 Y N -2.010 118.447 120.300 0.263 0.000 2.656 510 Y HA 0.639 5.219 4.550 0.051 0.000 0.334 510 Y C -1.357 174.561 175.900 0.031 0.000 1.179 510 Y CA -1.534 56.719 58.100 0.256 0.000 1.050 510 Y CB 0.451 39.055 38.460 0.241 0.000 1.308 510 Y HN 0.344 nan 8.280 nan 0.000 0.456 511 V N -0.218 119.608 119.914 -0.148 0.000 2.667 511 V HA 0.837 4.989 4.120 0.052 0.000 0.308 511 V C -0.194 175.803 176.094 -0.161 0.000 1.048 511 V CA -0.546 61.508 62.300 -0.411 0.000 0.928 511 V CB 1.366 32.644 31.823 -0.908 0.000 1.004 511 V HN 1.182 nan 8.190 nan 0.000 0.444 512 S N 4.418 120.037 115.700 -0.135 0.000 2.474 512 S HA 0.621 5.123 4.470 0.052 0.000 0.276 512 S C -0.325 174.234 174.600 -0.069 0.000 1.227 512 S CA -0.641 57.551 58.200 -0.012 0.000 1.050 512 S CB 0.267 63.454 63.200 -0.020 0.000 0.939 512 S HN 0.737 nan 8.310 nan 0.000 0.490 513 L N 4.550 125.786 121.223 0.022 0.000 2.261 513 L HA 0.449 4.821 4.340 0.052 0.000 0.289 513 L C 0.010 176.795 176.870 -0.142 0.000 1.059 513 L CA -0.400 54.477 54.840 0.062 0.000 0.816 513 L CB -0.440 41.757 42.059 0.230 0.000 1.191 513 L HN 0.868 nan 8.230 nan 0.000 0.431 514 N N 2.482 121.018 118.700 -0.274 0.000 3.344 514 N HA 0.353 5.124 4.740 0.052 0.000 0.296 514 N C 0.171 175.053 175.510 -1.047 0.000 1.571 514 N CA -0.968 51.645 53.050 -0.729 0.000 0.844 514 N CB 0.629 38.892 38.487 -0.372 0.000 1.718 514 N HN 0.201 nan 8.380 nan 0.000 0.589 515 L N -0.736 119.925 121.223 -0.938 0.000 2.217 515 L HA 0.146 4.518 4.340 0.052 0.000 0.211 515 L C 0.748 177.407 176.870 -0.352 0.000 1.107 515 L CA 0.733 55.120 54.840 -0.755 0.000 0.783 515 L CB -0.488 41.234 42.059 -0.561 0.000 0.919 515 L HN 0.356 nan 8.230 nan 0.000 0.442 516 K N 0.511 120.759 120.400 -0.254 0.000 2.234 516 K HA 0.116 4.467 4.320 0.052 0.000 0.251 516 K C -2.075 174.472 176.600 -0.088 0.000 1.011 516 K CA -1.529 54.677 56.287 -0.134 0.000 0.889 516 K CB -0.295 32.142 32.500 -0.104 0.000 1.011 516 K HN -0.162 nan 8.250 nan 0.000 0.505 517 P HA -0.006 nan 4.420 nan 0.000 0.271 517 P C -0.688 176.609 177.300 -0.004 0.000 1.244 517 P CA -0.315 62.791 63.100 0.010 0.000 0.793 517 P CB 0.325 32.036 31.700 0.018 0.000 0.984 518 L N 0.672 121.909 121.223 0.023 0.000 2.499 518 L HA 0.068 4.440 4.340 0.052 0.000 0.273 518 L C 1.114 177.945 176.870 -0.064 0.000 1.195 518 L CA 0.995 55.803 54.840 -0.052 0.000 0.882 518 L CB -0.546 41.466 42.059 -0.077 0.000 1.133 518 L HN 0.417 nan 8.230 nan 0.000 0.483 519 E N 2.936 123.074 120.200 -0.104 0.000 2.199 519 E HA 0.443 4.824 4.350 0.052 0.000 0.269 519 E C -1.528 174.979 176.600 -0.156 0.000 0.899 519 E CA -0.840 55.502 56.400 -0.097 0.000 0.772 519 E CB 1.736 31.388 29.700 -0.081 0.000 1.155 519 E HN 0.305 nan 8.360 nan 0.000 0.408 520 V N 5.112 124.945 119.914 -0.136 0.000 2.368 520 V HA 0.332 4.484 4.120 0.052 0.000 0.266 520 V C 0.368 176.316 176.094 -0.244 0.000 1.045 520 V CA -0.349 61.842 62.300 -0.181 0.000 0.899 520 V CB 0.570 32.346 31.823 -0.078 0.000 1.006 520 V HN 0.667 nan 8.190 nan 0.000 0.470 521 R N 3.733 123.936 120.500 -0.495 0.000 2.596 521 R HA 0.718 5.089 4.340 0.052 0.000 0.267 521 R C -0.244 175.784 176.300 -0.454 0.000 1.026 521 R CA -0.742 55.047 56.100 -0.517 0.000 1.087 521 R CB 1.366 31.259 30.300 -0.678 0.000 1.132 521 R HN 0.596 nan 8.270 nan 0.000 0.531 522 R N -0.164 120.275 120.500 -0.101 0.000 2.599 522 R HA 0.464 4.835 4.340 0.052 0.000 0.295 522 R C -0.947 175.548 176.300 0.325 0.000 0.963 522 R CA -0.382 55.788 56.100 0.116 0.000 0.883 522 R CB 2.228 32.567 30.300 0.065 0.000 1.171 522 R HN 0.868 nan 8.270 nan 0.000 0.450 523 G N 2.506 111.579 108.800 0.455 0.000 3.421 523 G HA2 -0.199 3.793 3.960 0.052 0.000 0.656 523 G HA3 -0.199 3.793 3.960 0.052 0.000 0.656 523 G C -1.137 173.998 174.900 0.391 0.000 1.007 523 G CA -0.908 44.407 45.100 0.358 0.000 0.811 523 G HN 0.351 nan 8.290 nan 0.000 0.433 524 L N 4.290 125.624 121.223 0.185 0.000 2.356 524 L HA 0.486 4.858 4.340 0.052 0.000 0.282 524 L C 1.645 178.523 176.870 0.014 0.000 1.132 524 L CA -0.257 54.476 54.840 -0.178 0.000 0.923 524 L CB -0.532 41.290 42.059 -0.395 0.000 1.278 524 L HN 0.698 nan 8.230 nan 0.000 0.436 525 R N 3.044 123.599 120.500 0.092 0.000 3.184 525 R HA -0.299 4.072 4.340 0.052 0.000 0.242 525 R C 1.426 177.830 176.300 0.174 0.000 0.907 525 R CA 0.550 56.744 56.100 0.157 0.000 0.618 525 R CB -1.609 28.799 30.300 0.181 0.000 1.016 525 R HN 0.795 nan 8.270 nan 0.000 0.469 526 A N 0.722 123.643 122.820 0.168 0.000 1.873 526 A HA -0.281 4.071 4.320 0.052 0.000 0.218 526 A C 2.041 179.723 177.584 0.164 0.000 1.193 526 A CA 1.415 53.549 52.037 0.162 0.000 0.629 526 A CB -0.142 18.948 19.000 0.151 0.000 0.826 526 A HN 0.442 nan 8.150 nan 0.000 0.447 527 Q N -0.850 119.046 119.800 0.159 0.000 2.050 527 Q HA -0.113 4.259 4.340 0.052 0.000 0.202 527 Q C 2.274 178.402 176.000 0.213 0.000 0.980 527 Q CA 2.090 57.990 55.803 0.161 0.000 0.840 527 Q CB -1.218 27.601 28.738 0.134 0.000 0.898 527 Q HN 0.660 nan 8.270 nan 0.000 0.424 528 T N 0.469 115.175 114.554 0.253 0.000 2.821 528 T HA -0.106 4.275 4.350 0.052 0.000 0.267 528 T C 2.002 176.925 174.700 0.370 0.000 1.046 528 T CA 1.100 63.384 62.100 0.307 0.000 1.139 528 T CB -0.208 68.893 68.868 0.388 0.000 0.871 528 T HN 0.315 nan 8.240 nan 0.000 0.454 529 c N 1.408 120.215 118.600 0.345 0.000 2.446 529 c HA 0.260 4.862 4.570 0.052 0.000 0.279 529 c C 3.089 177.339 174.090 0.267 0.000 1.366 529 c CA -0.045 56.495 56.329 0.351 0.000 1.763 529 c CB -1.358 41.289 42.510 0.228 0.000 1.929 529 c HN 0.643 nan 8.230 nan 0.000 0.509 530 A N 0.872 123.817 122.820 0.209 0.000 1.859 530 A HA -0.278 4.073 4.320 0.052 0.000 0.217 530 A C 1.897 179.580 177.584 0.165 0.000 1.198 530 A CA 2.145 54.281 52.037 0.165 0.000 0.629 530 A CB -1.080 18.006 19.000 0.144 0.000 0.830 530 A HN 0.531 nan 8.150 nan 0.000 0.446 531 F N -0.890 119.037 119.950 -0.038 0.000 2.063 531 F HA -0.262 4.299 4.527 0.056 0.000 0.298 531 F C 2.044 177.786 175.800 -0.096 0.000 1.109 531 F CA 2.091 59.985 58.000 -0.176 0.000 1.212 531 F CB -0.690 37.914 39.000 -0.661 0.000 0.973 531 F HN 0.414 nan 8.300 nan 0.000 0.480 532 W N 0.266 121.517 121.300 -0.081 0.000 2.418 532 W HA -0.120 4.571 4.660 0.051 0.000 0.292 532 W C 2.078 178.522 176.519 -0.123 0.000 1.213 532 W CA 0.953 58.202 57.345 -0.161 0.000 1.283 532 W CB -0.338 29.167 29.460 0.074 0.000 1.119 532 W HN -0.025 nan 8.180 nan 0.000 0.542 533 N N -0.829 117.984 118.700 0.188 0.000 2.356 533 N HA 0.088 4.860 4.740 0.052 0.000 0.178 533 N C 1.373 176.915 175.510 0.054 0.000 1.075 533 N CA 0.620 53.737 53.050 0.111 0.000 0.889 533 N CB 0.033 38.587 38.487 0.111 0.000 0.999 533 N HN 0.228 nan 8.380 nan 0.000 0.464 534 R N -1.204 119.326 120.500 0.050 0.000 2.144 534 R HA 0.244 4.616 4.340 0.052 0.000 0.195 534 R C 1.313 177.639 176.300 0.044 0.000 1.077 534 R CA 0.037 56.170 56.100 0.055 0.000 1.120 534 R CB -0.119 30.236 30.300 0.092 0.000 1.060 534 R HN 0.020 nan 8.270 nan 0.000 0.520 535 F N 1.414 121.278 119.950 -0.143 0.000 2.220 535 F HA 0.091 4.650 4.527 0.053 0.000 0.290 535 F C 1.888 177.526 175.800 -0.270 0.000 1.080 535 F CA 0.820 58.716 58.000 -0.172 0.000 1.318 535 F CB -0.150 38.774 39.000 -0.126 0.000 1.063 535 F HN -0.134 nan 8.300 nan 0.000 0.498 536 L N 1.004 121.888 121.223 -0.565 0.000 1.990 536 L HA -0.195 4.177 4.340 0.052 0.000 0.213 536 L C -0.294 176.348 176.870 -0.379 0.000 1.072 536 L CA 2.489 56.968 54.840 -0.601 0.000 0.755 536 L CB -2.289 39.446 42.059 -0.540 0.000 0.889 536 L HN 0.102 nan 8.230 nan 0.000 0.432 537 P HA -0.205 nan 4.420 nan 0.000 0.215 537 P C 1.501 178.677 177.300 -0.207 0.000 1.163 537 P CA 1.481 64.487 63.100 -0.158 0.000 0.894 537 P CB -0.110 31.537 31.700 -0.088 0.000 0.791 538 K N -0.981 119.271 120.400 -0.247 0.000 2.074 538 K HA -0.165 4.186 4.320 0.052 0.000 0.209 538 K C 2.012 178.409 176.600 -0.339 0.000 1.048 538 K CA 1.088 57.229 56.287 -0.243 0.000 0.926 538 K CB -1.319 31.074 32.500 -0.179 0.000 0.713 538 K HN 0.135 nan 8.250 nan 0.000 0.444 539 L N 1.577 122.447 121.223 -0.588 0.000 1.961 539 L HA -0.154 4.218 4.340 0.052 0.000 0.210 539 L C 2.246 178.953 176.870 -0.271 0.000 1.072 539 L CA 1.533 56.057 54.840 -0.526 0.000 0.749 539 L CB -0.843 40.784 42.059 -0.721 0.000 0.889 539 L HN 0.070 nan 8.230 nan 0.000 0.432 540 L N -0.736 120.347 121.223 -0.234 0.000 2.042 540 L HA -0.209 4.163 4.340 0.052 0.000 0.210 540 L C 2.571 179.373 176.870 -0.113 0.000 1.076 540 L CA 1.566 56.322 54.840 -0.140 0.000 0.749 540 L CB -1.001 40.991 42.059 -0.112 0.000 0.893 540 L HN 0.449 nan 8.230 nan 0.000 0.432 541 S N -0.945 114.681 115.700 -0.123 0.000 2.559 541 S HA -0.068 4.433 4.470 0.052 0.000 0.250 541 S C 0.955 175.507 174.600 -0.079 0.000 0.977 541 S CA 0.952 59.097 58.200 -0.091 0.000 0.958 541 S CB -0.071 63.075 63.200 -0.091 0.000 0.751 541 S HN 0.465 nan 8.310 nan 0.000 0.534 542 A N 0.187 122.953 122.820 -0.090 0.000 2.043 542 A HA 0.615 4.967 4.320 0.052 0.000 0.183 542 A C 0.534 178.081 177.584 -0.060 0.000 1.568 542 A CA 0.536 52.534 52.037 -0.066 0.000 1.796 542 A CB -0.328 18.635 19.000 -0.061 0.000 1.908 542 A HN 1.504 nan 8.150 nan 0.000 0.851 543 T N -2.170 112.347 114.554 -0.061 0.000 0.548 543 T HA 0.498 4.879 4.350 0.052 0.000 0.773 543 T C -0.304 174.381 174.700 -0.025 0.000 0.992 543 T CA 0.598 62.672 62.100 -0.043 0.000 4.072 543 T CB -1.894 66.946 68.868 -0.047 0.000 2.300 543 T HN 2.668 nan 8.240 nan 0.000 0.397 544 A N 0.000 122.811 122.820 -0.015 0.000 2.254 544 A HA 0.000 4.351 4.320 0.052 0.000 0.244 544 A CA 0.000 nan 52.037 nan 0.000 0.836 544 A CB 0.000 19.032 19.000 0.052 0.000 0.831 544 A HN 0.000 nan 8.150 nan 0.000 0.486