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 1f9c_1_B DATA FIRST_RESID 3 DATA SEQUENCE SALIERIDAI IVDLPTIXXX XXXXXXXQQQ TLVVLRVRCS DGVEGIGEAT DATA SEQUENCE TIGGLAYGYE SPEGIKANID AHLAPALIGL AADNINAAML KLDALAKGNT DATA SEQUENCE FAKSGIESAL LDAQGKRLGL PVSELLGGRV RDSLEVAWTL ASGDTARDIA DATA SEQUENCE EARHMLEIRR HRVFKLKIGA NPVEQNLKHV VTIKRELGDS ASVRVDVNQY DATA SEQUENCE WDESQAIRAC QVLGDNGIDL IEQPISRINR GGQVRLNQRT PAPIMADESI DATA SEQUENCE ESVEDAFSLA ADGAASIFAL KIAKNGGPRA VLRTAQIAEA AGIGLYGGTM DATA SEQUENCE LEGSIGTLAS AHAFLTLRQL TWGTELFGPL LLTEEIVNEP PQYRDFQLHI DATA SEQUENCE PRTPGLGLTL DEARLARFAR 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.598 174.600 -0.004 0.000 1.055 3 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 3 S CB 0.000 63.198 63.200 -0.004 0.000 0.593 4 A N 2.507 125.324 122.820 -0.004 0.000 2.425 4 A HA 0.664 4.984 4.320 0.000 0.000 0.249 4 A C -0.483 177.098 177.584 -0.004 0.000 1.084 4 A CA 0.133 52.167 52.037 -0.005 0.000 0.781 4 A CB -0.111 18.886 19.000 -0.006 0.000 1.019 4 A HN 0.514 nan 8.150 nan 0.000 0.490 5 L N 1.500 122.720 121.223 -0.004 0.000 2.303 5 L HA 0.503 4.843 4.340 0.000 0.000 0.266 5 L C -0.493 176.375 176.870 -0.003 0.000 1.011 5 L CA -0.797 54.041 54.840 -0.003 0.000 0.818 5 L CB 1.761 43.819 42.059 -0.002 0.000 1.326 5 L HN 0.578 nan 8.230 nan 0.000 0.435 6 I N 1.036 121.604 120.570 -0.002 0.000 2.337 6 I HA 0.069 4.239 4.170 0.000 0.000 0.291 6 I C 0.882 176.998 176.117 -0.002 0.000 1.046 6 I CA 0.250 61.548 61.300 -0.002 0.000 1.324 6 I CB 0.935 38.934 38.000 -0.001 0.000 1.409 6 I HN 0.711 nan 8.210 nan 0.000 0.494 7 E N 5.647 125.846 120.200 -0.002 0.000 2.201 7 E HA 0.117 4.467 4.350 0.000 0.000 0.193 7 E C 0.581 177.180 176.600 -0.002 0.000 0.957 7 E CA 0.226 56.625 56.400 -0.002 0.000 0.858 7 E CB 0.629 30.328 29.700 -0.002 0.000 0.816 7 E HN 0.526 nan 8.360 nan 0.000 0.475 8 R N 0.592 121.092 120.500 -0.001 0.000 2.604 8 R HA 0.369 4.709 4.340 0.000 0.000 0.261 8 R C -2.022 174.278 176.300 0.000 0.000 1.080 8 R CA -0.419 55.681 56.100 -0.001 0.000 0.917 8 R CB 0.903 31.203 30.300 -0.001 0.000 1.252 8 R HN -0.080 nan 8.270 nan 0.000 0.456 9 I N 2.954 123.525 120.570 0.002 0.000 2.465 9 I HA 0.353 4.523 4.170 0.000 0.000 0.291 9 I C -0.906 175.214 176.117 0.005 0.000 1.014 9 I CA -0.887 60.415 61.300 0.004 0.000 1.093 9 I CB 2.231 40.234 38.000 0.007 0.000 1.267 9 I HN 0.495 nan 8.210 nan 0.000 0.431 10 D N 5.625 126.029 120.400 0.007 0.000 2.375 10 D HA 0.555 5.195 4.640 0.000 0.000 0.247 10 D C -0.628 175.680 176.300 0.012 0.000 1.061 10 D CA -0.303 53.702 54.000 0.008 0.000 0.834 10 D CB 2.437 43.242 40.800 0.008 0.000 1.247 10 D HN 0.537 nan 8.370 nan 0.000 0.489 11 A N 2.857 125.686 122.820 0.014 0.000 2.267 11 A HA 0.601 4.921 4.320 0.000 0.000 0.315 11 A C -0.430 177.165 177.584 0.018 0.000 1.297 11 A CA -0.575 51.473 52.037 0.018 0.000 0.865 11 A CB 0.029 19.042 19.000 0.021 0.000 1.165 11 A HN 0.491 nan 8.150 nan 0.000 0.513 12 I N 3.220 123.803 120.570 0.021 0.000 2.389 12 I HA 0.317 4.487 4.170 0.000 0.000 0.288 12 I C -0.305 175.829 176.117 0.029 0.000 0.999 12 I CA -0.222 61.093 61.300 0.025 0.000 1.129 12 I CB 1.743 39.760 38.000 0.028 0.000 1.288 12 I HN 0.523 nan 8.210 nan 0.000 0.444 13 I N 6.793 127.379 120.570 0.028 0.000 2.396 13 I HA 0.222 4.392 4.170 0.000 0.000 0.289 13 I C -0.441 175.702 176.117 0.043 0.000 1.056 13 I CA -0.136 61.181 61.300 0.028 0.000 1.365 13 I CB 0.705 38.718 38.000 0.022 0.000 1.407 13 I HN 0.233 nan 8.210 nan 0.000 0.509 14 V N 6.198 126.140 119.914 0.047 0.000 2.531 14 V HA 0.319 4.439 4.120 0.000 0.000 0.301 14 V C -0.635 175.492 176.094 0.055 0.000 1.034 14 V CA -0.804 61.541 62.300 0.075 0.000 0.865 14 V CB 2.006 33.878 31.823 0.082 0.000 0.995 14 V HN 0.579 nan 8.190 nan 0.000 0.424 15 D N 5.661 126.112 120.400 0.084 0.000 2.303 15 D HA 0.560 5.200 4.640 0.000 0.000 0.236 15 D C -0.592 175.705 176.300 -0.004 0.000 1.068 15 D CA -0.093 53.935 54.000 0.045 0.000 0.830 15 D CB 2.469 43.309 40.800 0.067 0.000 1.109 15 D HN 0.276 nan 8.370 nan 0.000 0.496 16 L N 3.339 124.488 121.223 -0.123 0.000 2.342 16 L HA 0.432 4.772 4.340 0.000 0.000 0.271 16 L C -2.301 174.433 176.870 -0.227 0.000 1.008 16 L CA -2.038 52.594 54.840 -0.346 0.000 0.818 16 L CB 2.427 44.277 42.059 -0.348 0.000 1.296 16 L HN 0.075 nan 8.230 nan 0.000 0.427 17 P HA 0.178 nan 4.420 nan 0.000 0.278 17 P C -0.776 176.472 177.300 -0.086 0.000 1.238 17 P CA -0.213 62.821 63.100 -0.110 0.000 0.794 17 P CB 1.307 32.970 31.700 -0.062 0.000 0.955 18 T N -0.317 114.218 114.554 -0.032 0.000 2.807 18 T HA 0.724 5.074 4.350 0.000 0.000 0.277 18 T C 0.712 175.425 174.700 0.021 0.000 1.006 18 T CA -0.898 61.200 62.100 -0.003 0.000 1.006 18 T CB 0.518 69.388 68.868 0.004 0.000 1.274 18 T HN 0.397 nan 8.240 nan 0.000 0.569 31 Q N 1.632 121.429 119.800 -0.005 0.000 2.260 31 Q HA 0.449 4.789 4.340 0.000 0.000 0.238 31 Q C -0.746 175.239 176.000 -0.026 0.000 0.948 31 Q CA -0.332 55.462 55.803 -0.015 0.000 0.895 31 Q CB 1.669 30.407 28.738 -0.001 0.000 1.218 31 Q HN 0.678 nan 8.270 nan 0.000 0.470 32 Q N 0.203 119.980 119.800 -0.039 0.000 2.292 32 Q HA 0.394 4.734 4.340 0.000 0.000 0.270 32 Q C -1.520 174.457 176.000 -0.037 0.000 1.024 32 Q CA -0.192 55.586 55.803 -0.041 0.000 0.768 32 Q CB 1.639 30.351 28.738 -0.044 0.000 1.250 32 Q HN 0.503 nan 8.270 nan 0.000 0.447 33 T N 5.249 119.785 114.554 -0.029 0.000 2.767 33 T HA 0.665 5.015 4.350 0.000 0.000 0.284 33 T C -0.440 174.252 174.700 -0.013 0.000 0.973 33 T CA -0.460 61.629 62.100 -0.017 0.000 0.996 33 T CB 0.158 69.017 68.868 -0.014 0.000 0.927 33 T HN 0.539 nan 8.240 nan 0.000 0.456 34 L N 1.592 122.815 121.223 -0.002 0.000 2.341 34 L HA 0.829 5.169 4.340 0.000 0.000 0.267 34 L C -0.671 176.209 176.870 0.018 0.000 1.009 34 L CA -1.463 53.382 54.840 0.009 0.000 0.819 34 L CB 1.661 43.725 42.059 0.008 0.000 1.323 34 L HN 0.235 nan 8.230 nan 0.000 0.425 35 V N 2.403 122.331 119.914 0.024 0.000 2.313 35 V HA 0.285 4.405 4.120 0.000 0.000 0.278 35 V C 0.095 176.206 176.094 0.027 0.000 1.017 35 V CA -0.559 61.757 62.300 0.026 0.000 0.823 35 V CB 1.551 33.391 31.823 0.028 0.000 1.010 35 V HN 0.487 nan 8.190 nan 0.000 0.443 36 V N 6.895 126.825 119.914 0.026 0.000 2.530 36 V HA 0.365 4.485 4.120 0.000 0.000 0.282 36 V C 0.032 176.138 176.094 0.020 0.000 1.048 36 V CA -0.288 62.026 62.300 0.024 0.000 0.997 36 V CB 1.359 33.198 31.823 0.028 0.000 0.987 36 V HN 0.592 nan 8.190 nan 0.000 0.477 37 L N 6.239 127.471 121.223 0.015 0.000 2.317 37 L HA 0.634 4.974 4.340 0.000 0.000 0.281 37 L C 0.170 177.044 176.870 0.007 0.000 1.024 37 L CA -0.222 54.625 54.840 0.012 0.000 0.810 37 L CB 1.552 43.618 42.059 0.011 0.000 1.240 37 L HN 0.559 nan 8.230 nan 0.000 0.427 38 R N 3.019 123.523 120.500 0.007 0.000 2.468 38 R HA 0.534 4.874 4.340 0.000 0.000 0.302 38 R C -1.536 174.765 176.300 0.001 0.000 1.041 38 R CA -0.684 55.418 56.100 0.003 0.000 0.899 38 R CB 1.822 32.125 30.300 0.006 0.000 1.167 38 R HN 0.252 nan 8.270 nan 0.000 0.483 39 V N 3.858 123.770 119.914 -0.002 0.000 2.350 39 V HA 0.369 4.489 4.120 0.000 0.000 0.276 39 V C 0.377 176.468 176.094 -0.005 0.000 1.028 39 V CA -0.672 61.626 62.300 -0.003 0.000 0.860 39 V CB 1.289 33.109 31.823 -0.005 0.000 0.990 39 V HN 0.574 nan 8.190 nan 0.000 0.453 40 R N 2.976 123.474 120.500 -0.003 0.000 2.265 40 R HA 0.592 4.932 4.340 0.000 0.000 0.319 40 R C -0.885 175.413 176.300 -0.004 0.000 1.006 40 R CA -0.331 55.767 56.100 -0.004 0.000 0.880 40 R CB 1.171 31.469 30.300 -0.002 0.000 1.077 40 R HN 0.744 nan 8.270 nan 0.000 0.454 41 C N 1.249 120.546 119.300 -0.005 0.000 2.397 41 C HA 0.164 4.624 4.460 0.000 0.000 0.343 41 C C 2.066 177.053 174.990 -0.005 0.000 1.188 41 C CA -0.631 58.383 59.018 -0.005 0.000 1.992 41 C CB 1.654 29.390 27.740 -0.007 0.000 2.358 41 C HN 1.011 nan 8.230 nan 0.000 0.518 42 S N 0.836 116.534 115.700 -0.004 0.000 2.465 42 S HA -0.199 4.271 4.470 0.000 0.000 0.241 42 S C 0.969 175.567 174.600 -0.004 0.000 1.000 42 S CA 1.963 60.161 58.200 -0.004 0.000 0.964 42 S CB -0.450 62.748 63.200 -0.003 0.000 0.763 42 S HN 0.909 nan 8.310 nan 0.000 0.512 43 D N -0.141 120.256 120.400 -0.005 0.000 2.325 43 D HA 0.266 4.906 4.640 0.000 0.000 0.225 43 D C 1.425 177.722 176.300 -0.005 0.000 1.096 43 D CA 0.519 54.517 54.000 -0.005 0.000 0.844 43 D CB -0.467 40.329 40.800 -0.006 0.000 0.925 43 D HN 0.556 nan 8.370 nan 0.000 0.513 44 G N -0.302 108.495 108.800 -0.005 0.000 2.284 44 G HA2 -0.295 3.665 3.960 0.000 0.000 0.247 44 G HA3 -0.295 3.665 3.960 0.000 0.000 0.247 44 G C 0.290 175.187 174.900 -0.006 0.000 1.012 44 G CA 0.215 45.312 45.100 -0.005 0.000 0.618 44 G HN 0.391 nan 8.290 nan 0.000 0.521 45 V N 1.690 121.599 119.914 -0.007 0.000 2.715 45 V HA 0.509 4.629 4.120 0.000 0.000 0.299 45 V C 0.436 176.524 176.094 -0.010 0.000 1.054 45 V CA 0.722 63.016 62.300 -0.009 0.000 1.077 45 V CB 1.510 33.326 31.823 -0.012 0.000 0.972 45 V HN 0.683 nan 8.190 nan 0.000 0.484 46 E N 3.163 123.357 120.200 -0.010 0.000 2.248 46 E HA 0.682 5.032 4.350 0.000 0.000 0.267 46 E C -0.334 176.258 176.600 -0.014 0.000 0.877 46 E CA -0.673 55.721 56.400 -0.010 0.000 0.759 46 E CB 1.966 31.662 29.700 -0.006 0.000 1.182 46 E HN 0.746 nan 8.360 nan 0.000 0.418 47 G N 3.617 112.407 108.800 -0.016 0.000 2.400 47 G HA2 0.598 4.558 3.960 0.000 0.000 0.333 47 G HA3 0.598 4.558 3.960 0.000 0.000 0.333 47 G C -0.365 174.525 174.900 -0.017 0.000 1.143 47 G CA -1.009 44.077 45.100 -0.023 0.000 0.914 47 G HN 0.686 nan 8.290 nan 0.000 0.480 48 I N -0.313 120.244 120.570 -0.021 0.000 2.646 48 I HA 0.966 5.136 4.170 0.000 0.000 0.299 48 I C 0.245 176.351 176.117 -0.019 0.000 1.036 48 I CA -1.035 60.257 61.300 -0.013 0.000 1.074 48 I CB 2.418 40.414 38.000 -0.006 0.000 1.258 48 I HN 0.667 nan 8.210 nan 0.000 0.430 49 G N 3.281 112.074 108.800 -0.011 0.000 2.921 49 G HA2 0.660 4.620 3.960 0.000 0.000 0.291 49 G HA3 0.660 4.620 3.960 0.000 0.000 0.291 49 G C -1.927 172.970 174.900 -0.004 0.000 1.370 49 G CA -0.607 44.484 45.100 -0.015 0.000 0.847 49 G HN 0.924 nan 8.290 nan 0.000 0.532 50 E N -1.379 118.819 120.200 -0.004 0.000 2.347 50 E HA 0.554 4.904 4.350 0.000 0.000 0.285 50 E C -1.365 175.248 176.600 0.021 0.000 0.925 50 E CA -0.959 55.446 56.400 0.009 0.000 0.779 50 E CB 1.809 31.512 29.700 0.004 0.000 1.233 50 E HN 0.864 nan 8.360 nan 0.000 0.414 51 A N 3.602 126.452 122.820 0.050 0.000 2.399 51 A HA 0.565 4.885 4.320 0.000 0.000 0.327 51 A C -0.755 176.910 177.584 0.134 0.000 1.367 51 A CA -0.391 51.712 52.037 0.110 0.000 0.842 51 A CB 1.293 20.362 19.000 0.115 0.000 1.142 51 A HN 0.446 nan 8.150 nan 0.000 0.495 52 T N 1.362 116.020 114.554 0.172 0.000 2.863 52 T HA 0.697 5.047 4.350 0.000 0.000 0.285 52 T C -0.011 174.826 174.700 0.228 0.000 1.009 52 T CA -0.231 61.947 62.100 0.130 0.000 0.989 52 T CB 1.724 70.624 68.868 0.054 0.000 1.004 52 T HN 0.674 nan 8.240 nan 0.000 0.455 53 T N 1.540 116.131 114.554 0.062 0.000 2.742 53 T HA 0.784 5.134 4.350 0.000 0.000 0.282 53 T C -1.390 173.261 174.700 -0.081 0.000 1.025 53 T CA -0.699 61.399 62.100 -0.004 0.000 1.020 53 T CB 0.755 69.428 68.868 -0.326 0.000 1.317 53 T HN 0.458 nan 8.240 nan 0.000 0.538 54 I N 1.568 122.047 120.570 -0.151 0.000 2.410 54 I HA 0.530 4.700 4.170 0.000 0.000 0.286 54 I C 0.878 176.900 176.117 -0.159 0.000 1.009 54 I CA -0.438 60.699 61.300 -0.271 0.000 1.111 54 I CB 1.616 39.202 38.000 -0.690 0.000 1.262 54 I HN 0.976 nan 8.210 nan 0.000 0.443 55 G N 4.148 112.898 108.800 -0.083 0.000 2.212 55 G HA2 -0.002 3.958 3.960 0.000 0.000 0.255 55 G HA3 -0.002 3.958 3.960 0.000 0.000 0.255 55 G C 0.820 175.725 174.900 0.009 0.000 1.062 55 G CA 0.328 45.428 45.100 0.000 0.000 0.815 55 G HN 1.441 nan 8.290 nan 0.000 0.497 56 G N -0.981 107.799 108.800 -0.033 0.000 3.181 56 G HA2 -0.232 3.728 3.960 0.000 0.000 0.322 56 G HA3 -0.232 3.728 3.960 0.000 0.000 0.322 56 G C 0.781 175.642 174.900 -0.064 0.000 1.246 56 G CA 0.955 46.029 45.100 -0.044 0.000 0.989 56 G HN 1.302 nan 8.290 nan 0.000 0.607 57 L N 1.936 123.142 121.223 -0.028 0.000 2.858 57 L HA 0.662 5.002 4.340 0.000 0.000 0.251 57 L C 2.808 179.679 176.870 0.001 0.000 1.149 57 L CA 1.295 56.114 54.840 -0.035 0.000 0.955 57 L CB -0.011 42.037 42.059 -0.018 0.000 1.289 57 L HN 0.848 nan 8.230 nan 0.000 0.542 58 A N -1.608 121.245 122.820 0.055 0.000 2.121 58 A HA -0.116 4.204 4.320 0.000 0.000 0.218 58 A C 1.368 178.977 177.584 0.041 0.000 1.154 58 A CA 1.302 53.382 52.037 0.072 0.000 0.679 58 A CB -0.380 18.711 19.000 0.152 0.000 0.795 58 A HN 0.395 nan 8.150 nan 0.000 0.458 59 Y N -1.413 118.852 120.300 -0.059 0.000 2.588 59 Y HA 0.442 4.992 4.550 0.000 0.000 0.247 59 Y C 0.947 176.816 175.900 -0.051 0.000 1.157 59 Y CA 0.057 58.136 58.100 -0.036 0.000 1.215 59 Y CB 0.969 39.424 38.460 -0.008 0.000 1.245 59 Y HN 0.334 nan 8.280 nan 0.000 0.534 60 G N -1.411 107.382 108.800 -0.011 0.000 2.411 60 G HA2 0.134 4.094 3.960 0.000 0.000 0.295 60 G HA3 0.134 4.094 3.960 0.000 0.000 0.295 60 G C -0.608 174.170 174.900 -0.203 0.000 1.542 60 G CA -0.723 44.292 45.100 -0.142 0.000 0.814 60 G HN 0.079 nan 8.290 nan 0.000 0.557 61 Y N -0.847 119.405 120.300 -0.079 0.000 2.632 61 Y HA 0.442 4.992 4.550 0.000 0.000 0.301 61 Y C 0.640 176.471 175.900 -0.115 0.000 1.172 61 Y CA 0.086 58.142 58.100 -0.073 0.000 1.328 61 Y CB 0.243 38.684 38.460 -0.032 0.000 1.016 61 Y HN 0.356 nan 8.280 nan 0.000 0.529 62 E N 1.793 121.626 120.200 -0.612 0.000 2.092 62 E HA 0.294 4.644 4.350 0.000 0.000 0.271 62 E C -0.432 175.900 176.600 -0.446 0.000 0.919 62 E CA -0.551 55.544 56.400 -0.509 0.000 0.760 62 E CB 1.084 30.356 29.700 -0.713 0.000 1.106 62 E HN 0.421 nan 8.360 nan 0.000 0.408 63 S N 2.338 117.902 115.700 -0.226 0.000 2.713 63 S HA 0.399 4.869 4.470 0.000 0.000 0.283 63 S C -1.995 172.529 174.600 -0.126 0.000 1.161 63 S CA -1.400 56.701 58.200 -0.165 0.000 0.999 63 S CB 1.632 64.780 63.200 -0.085 0.000 1.039 63 S HN 0.142 nan 8.310 nan 0.000 0.548 64 P HA -0.040 nan 4.420 nan 0.000 0.216 64 P C 0.919 178.204 177.300 -0.026 0.000 1.150 64 P CA 1.217 64.288 63.100 -0.049 0.000 0.837 64 P CB -0.006 31.675 31.700 -0.032 0.000 0.786 65 E N -0.518 119.668 120.200 -0.023 0.000 2.047 65 E HA -0.083 4.267 4.350 0.000 0.000 0.191 65 E C 2.336 178.936 176.600 -0.000 0.000 0.987 65 E CA 1.604 58.000 56.400 -0.007 0.000 0.799 65 E CB -1.425 28.273 29.700 -0.005 0.000 0.752 65 E HN 0.208 nan 8.360 nan 0.000 0.449 66 G N 0.426 109.221 108.800 -0.009 0.000 2.422 66 G HA2 -0.202 3.758 3.960 0.000 0.000 0.218 66 G HA3 -0.202 3.758 3.960 0.000 0.000 0.218 66 G C 1.613 176.524 174.900 0.017 0.000 1.140 66 G CA 0.576 45.681 45.100 0.008 0.000 0.775 66 G HN 0.140 nan 8.290 nan 0.000 0.545 67 I N 0.503 121.070 120.570 -0.006 0.000 2.142 67 I HA -0.135 4.035 4.170 0.000 0.000 0.240 67 I C 2.677 178.814 176.117 0.033 0.000 1.078 67 I CA 1.677 62.985 61.300 0.014 0.000 1.343 67 I CB -0.125 37.875 38.000 0.000 0.000 1.046 67 I HN 0.179 nan 8.210 nan 0.000 0.405 68 K N 1.476 121.889 120.400 0.023 0.000 2.097 68 K HA -0.156 4.164 4.320 0.000 0.000 0.205 68 K C 2.158 178.776 176.600 0.031 0.000 1.050 68 K CA 1.448 57.751 56.287 0.026 0.000 0.938 68 K CB -0.160 32.351 32.500 0.018 0.000 0.718 68 K HN 0.259 nan 8.250 nan 0.000 0.442 69 A N 1.622 124.463 122.820 0.035 0.000 1.883 69 A HA -0.196 4.124 4.320 0.000 0.000 0.217 69 A C 1.924 179.554 177.584 0.076 0.000 1.186 69 A CA 1.860 53.924 52.037 0.045 0.000 0.624 69 A CB -0.709 18.319 19.000 0.048 0.000 0.822 69 A HN 0.443 nan 8.150 nan 0.000 0.444 70 N N -0.351 118.414 118.700 0.107 0.000 2.300 70 N HA 0.009 4.749 4.740 0.000 0.000 0.179 70 N C 1.719 177.315 175.510 0.143 0.000 1.016 70 N CA 1.071 54.231 53.050 0.184 0.000 0.876 70 N CB -0.214 38.362 38.487 0.149 0.000 0.979 70 N HN 0.549 nan 8.380 nan 0.000 0.432 71 I N 1.262 121.882 120.570 0.084 0.000 2.163 71 I HA -0.234 3.936 4.170 0.000 0.000 0.240 71 I C 1.649 177.788 176.117 0.036 0.000 1.081 71 I CA 1.112 62.449 61.300 0.062 0.000 1.353 71 I CB -0.189 37.837 38.000 0.045 0.000 1.054 71 I HN -0.042 nan 8.210 nan 0.000 0.407 72 D N 1.208 121.620 120.400 0.019 0.000 2.078 72 D HA -0.159 4.481 4.640 0.000 0.000 0.193 72 D C 2.194 178.461 176.300 -0.055 0.000 0.990 72 D CA 1.818 55.811 54.000 -0.010 0.000 0.827 72 D CB -0.232 40.563 40.800 -0.009 0.000 0.975 72 D HN 0.332 nan 8.370 nan 0.000 0.451 73 A N -0.219 122.545 122.820 -0.092 0.000 1.968 73 A HA -0.121 4.199 4.320 0.000 0.000 0.217 73 A C 1.658 178.915 177.584 -0.545 0.000 1.169 73 A CA 1.282 53.135 52.037 -0.306 0.000 0.638 73 A CB -0.207 18.587 19.000 -0.342 0.000 0.812 73 A HN 0.325 nan 8.150 nan 0.000 0.446 74 H N -1.779 117.300 119.070 0.016 0.000 2.067 74 H HA 0.233 4.789 4.556 0.000 0.000 0.220 74 H C 2.019 177.357 175.328 0.017 0.000 0.883 74 H CA 0.534 56.592 56.048 0.016 0.000 1.042 74 H CB -0.273 29.501 29.762 0.020 0.000 1.305 74 H HN 0.298 nan 8.280 nan 0.000 0.430 75 L N 1.075 122.389 121.223 0.151 0.000 1.994 75 L HA -0.094 4.246 4.340 0.000 0.000 0.208 75 L C 2.924 179.825 176.870 0.052 0.000 1.071 75 L CA 1.402 56.295 54.840 0.089 0.000 0.745 75 L CB -0.703 41.403 42.059 0.078 0.000 0.892 75 L HN 0.183 nan 8.230 nan 0.000 0.431 76 A N 0.504 123.347 122.820 0.037 0.000 1.865 76 A HA -0.128 4.192 4.320 0.000 0.000 0.217 76 A C 0.111 177.702 177.584 0.012 0.000 1.191 76 A CA 1.853 53.901 52.037 0.019 0.000 0.623 76 A CB -1.928 17.079 19.000 0.011 0.000 0.826 76 A HN 0.294 nan 8.150 nan 0.000 0.444 77 P HA -0.156 nan 4.420 nan 0.000 0.217 77 P C 1.469 178.774 177.300 0.009 0.000 1.148 77 P CA 1.930 65.028 63.100 -0.003 0.000 0.828 77 P CB -0.141 31.546 31.700 -0.022 0.000 0.783 78 A N -1.431 121.403 122.820 0.022 0.000 2.168 78 A HA -0.041 4.279 4.320 0.000 0.000 0.215 78 A C 2.011 179.605 177.584 0.018 0.000 1.152 78 A CA 1.018 53.070 52.037 0.025 0.000 0.716 78 A CB -1.166 17.857 19.000 0.038 0.000 0.794 78 A HN 0.167 nan 8.150 nan 0.000 0.465 79 L N -0.287 120.945 121.223 0.015 0.000 2.470 79 L HA 0.170 4.510 4.340 0.000 0.000 0.219 79 L C -0.028 176.845 176.870 0.006 0.000 1.071 79 L CA -0.381 54.465 54.840 0.011 0.000 0.850 79 L CB -0.190 41.875 42.059 0.011 0.000 1.040 79 L HN 0.155 nan 8.230 nan 0.000 0.475 80 I N 1.628 122.201 120.570 0.005 0.000 2.826 80 I HA 0.012 4.182 4.170 0.000 0.000 0.295 80 I C 1.509 177.627 176.117 0.002 0.000 1.213 80 I CA 1.340 62.642 61.300 0.002 0.000 1.436 80 I CB -0.508 37.492 38.000 -0.000 0.000 1.348 80 I HN 0.433 nan 8.210 nan 0.000 0.570 81 G N 5.387 114.187 108.800 0.001 0.000 2.234 81 G HA2 -0.204 3.756 3.960 0.000 0.000 0.235 81 G HA3 -0.204 3.756 3.960 0.000 0.000 0.235 81 G C 0.332 175.232 174.900 0.001 0.000 0.997 81 G CA -0.361 44.739 45.100 0.001 0.000 0.623 81 G HN 0.460 nan 8.290 nan 0.000 0.514 82 L N 1.346 122.570 121.223 0.002 0.000 2.453 82 L HA 0.602 4.942 4.340 0.000 0.000 0.261 82 L C 1.361 178.231 176.870 -0.000 0.000 1.179 82 L CA -0.122 54.718 54.840 0.001 0.000 0.813 82 L CB 1.062 43.123 42.059 0.003 0.000 1.110 82 L HN 0.383 nan 8.230 nan 0.000 0.466 83 A N 1.793 124.613 122.820 -0.001 0.000 2.491 83 A HA 0.331 4.651 4.320 0.000 0.000 0.261 83 A C 1.061 178.643 177.584 -0.003 0.000 1.101 83 A CA 0.364 52.400 52.037 -0.002 0.000 0.772 83 A CB 0.490 19.488 19.000 -0.002 0.000 1.043 83 A HN 0.946 nan 8.150 nan 0.000 0.501 84 A N 2.411 125.229 122.820 -0.005 0.000 2.015 84 A HA -0.128 4.192 4.320 0.000 0.000 0.219 84 A C 1.609 179.188 177.584 -0.009 0.000 1.163 84 A CA 1.592 53.625 52.037 -0.007 0.000 0.646 84 A CB -0.365 18.630 19.000 -0.008 0.000 0.806 84 A HN 0.889 nan 8.150 nan 0.000 0.448 85 D N -0.883 119.513 120.400 -0.008 0.000 2.277 85 D HA -0.099 4.541 4.640 0.000 0.000 0.208 85 D C 0.448 176.744 176.300 -0.008 0.000 0.962 85 D CA 0.345 54.340 54.000 -0.009 0.000 0.865 85 D CB -0.402 40.393 40.800 -0.008 0.000 0.939 85 D HN 0.296 nan 8.370 nan 0.000 0.510 86 N N 1.225 119.921 118.700 -0.006 0.000 3.229 86 N HA 0.110 4.850 4.740 0.000 0.000 0.275 86 N C 1.221 176.728 175.510 -0.004 0.000 1.225 86 N CA -0.250 52.797 53.050 -0.004 0.000 1.119 86 N CB 0.119 38.604 38.487 -0.002 0.000 1.392 86 N HN 0.196 nan 8.380 nan 0.000 0.520 87 I N 0.513 121.079 120.570 -0.006 0.000 2.208 87 I HA -0.303 3.867 4.170 0.000 0.000 0.245 87 I C 2.103 178.218 176.117 -0.004 0.000 1.097 87 I CA 0.791 62.087 61.300 -0.007 0.000 1.363 87 I CB -0.224 37.769 38.000 -0.012 0.000 1.051 87 I HN 0.375 nan 8.210 nan 0.000 0.413 88 N N 1.594 120.292 118.700 -0.003 0.000 2.043 88 N HA -0.200 4.540 4.740 0.000 0.000 0.193 88 N C 1.863 177.373 175.510 0.001 0.000 1.037 88 N CA 2.228 55.278 53.050 -0.001 0.000 0.851 88 N CB -0.241 38.246 38.487 -0.000 0.000 1.027 88 N HN 0.326 nan 8.380 nan 0.000 0.422 89 A N 0.280 123.100 122.820 0.001 0.000 1.908 89 A HA -0.025 4.295 4.320 0.000 0.000 0.218 89 A C 2.397 179.983 177.584 0.004 0.000 1.181 89 A CA 2.330 54.368 52.037 0.002 0.000 0.627 89 A CB -1.381 17.620 19.000 0.001 0.000 0.818 89 A HN 0.505 nan 8.150 nan 0.000 0.445 90 A N -0.847 121.975 122.820 0.003 0.000 1.858 90 A HA -0.140 4.180 4.320 0.000 0.000 0.216 90 A C 2.161 179.749 177.584 0.008 0.000 1.190 90 A CA 2.165 54.205 52.037 0.005 0.000 0.617 90 A CB -0.504 18.498 19.000 0.003 0.000 0.827 90 A HN 0.429 nan 8.150 nan 0.000 0.443 91 M N -0.462 119.141 119.600 0.006 0.000 2.229 91 M HA 0.011 4.491 4.480 0.000 0.000 0.264 91 M C 2.107 178.412 176.300 0.010 0.000 1.063 91 M CA 1.021 56.326 55.300 0.008 0.000 1.114 91 M CB -1.433 31.170 32.600 0.004 0.000 1.387 91 M HN 0.373 nan 8.290 nan 0.000 0.420 92 L N -0.457 120.770 121.223 0.007 0.000 2.093 92 L HA -0.197 4.143 4.340 0.000 0.000 0.208 92 L C 2.654 179.529 176.870 0.008 0.000 1.085 92 L CA 1.067 55.910 54.840 0.006 0.000 0.755 92 L CB -0.496 41.565 42.059 0.004 0.000 0.904 92 L HN 0.342 nan 8.230 nan 0.000 0.435 93 K N 0.455 120.860 120.400 0.010 0.000 2.057 93 K HA -0.163 4.157 4.320 0.000 0.000 0.207 93 K C 2.110 178.721 176.600 0.017 0.000 1.049 93 K CA 1.143 57.437 56.287 0.012 0.000 0.931 93 K CB -0.029 32.479 32.500 0.013 0.000 0.714 93 K HN 0.275 nan 8.250 nan 0.000 0.440 94 L N 0.969 122.204 121.223 0.020 0.000 2.127 94 L HA -0.220 4.120 4.340 0.000 0.000 0.211 94 L C 1.793 178.678 176.870 0.025 0.000 1.089 94 L CA 1.176 56.032 54.840 0.027 0.000 0.757 94 L CB -0.475 41.601 42.059 0.030 0.000 0.899 94 L HN 0.200 nan 8.230 nan 0.000 0.434 95 D N 0.053 120.465 120.400 0.019 0.000 2.183 95 D HA -0.078 4.562 4.640 0.000 0.000 0.203 95 D C 2.184 178.490 176.300 0.010 0.000 0.969 95 D CA 1.273 55.282 54.000 0.016 0.000 0.842 95 D CB 0.164 40.971 40.800 0.012 0.000 0.957 95 D HN 0.268 nan 8.370 nan 0.000 0.484 96 A N 0.195 123.020 122.820 0.009 0.000 2.016 96 A HA -0.040 4.280 4.320 0.000 0.000 0.217 96 A C 1.912 179.500 177.584 0.006 0.000 1.162 96 A CA 0.620 52.660 52.037 0.005 0.000 0.662 96 A CB -0.130 18.873 19.000 0.006 0.000 0.812 96 A HN 0.137 nan 8.150 nan 0.000 0.450 97 L N -1.669 119.561 121.223 0.012 0.000 2.416 97 L HA 0.359 4.699 4.340 0.000 0.000 0.216 97 L C 0.894 177.764 176.870 0.000 0.000 1.098 97 L CA 1.226 56.074 54.840 0.014 0.000 0.840 97 L CB -0.650 41.428 42.059 0.032 0.000 0.981 97 L HN 0.374 nan 8.230 nan 0.000 0.462 98 A N -0.275 122.547 122.820 0.004 0.000 2.455 98 A HA 0.594 4.914 4.320 0.000 0.000 0.300 98 A C -0.585 177.001 177.584 0.003 0.000 1.040 98 A CA -0.682 51.351 52.037 -0.006 0.000 0.697 98 A CB 1.450 20.458 19.000 0.013 0.000 1.265 98 A HN -0.153 nan 8.150 nan 0.000 0.407 99 K N 1.250 121.642 120.400 -0.012 0.000 2.205 99 K HA 0.623 4.943 4.320 0.000 0.000 0.279 99 K C 1.184 177.794 176.600 0.016 0.000 1.027 99 K CA 0.921 57.200 56.287 -0.012 0.000 0.932 99 K CB 0.873 33.346 32.500 -0.045 0.000 1.032 99 K HN 1.738 nan 8.250 nan 0.000 0.466 100 G N 3.237 112.064 108.800 0.044 0.000 2.611 100 G HA2 -0.396 3.564 3.960 0.000 0.000 0.301 100 G HA3 -0.396 3.564 3.960 0.000 0.000 0.301 100 G C -0.219 174.813 174.900 0.220 0.000 1.233 100 G CA 0.307 45.495 45.100 0.146 0.000 0.993 100 G HN 0.789 nan 8.290 nan 0.000 0.553 101 N N -0.025 118.908 118.700 0.389 0.000 2.740 101 N HA -0.246 4.494 4.740 0.000 0.000 0.248 101 N C 1.523 177.155 175.510 0.203 0.000 1.062 101 N CA 1.970 55.186 53.050 0.278 0.000 0.704 101 N CB -1.388 37.203 38.487 0.173 0.000 0.968 101 N HN 1.495 nan 8.380 nan 0.000 0.547 102 T N -3.502 111.187 114.554 0.225 0.000 2.867 102 T HA -0.090 4.260 4.350 0.000 0.000 0.268 102 T C 1.590 176.320 174.700 0.051 0.000 1.057 102 T CA 0.881 63.044 62.100 0.106 0.000 1.136 102 T CB -0.290 68.612 68.868 0.058 0.000 0.874 102 T HN 0.217 nan 8.240 nan 0.000 0.466 103 F N 2.530 122.451 119.950 -0.048 0.000 2.051 103 F HA 0.153 4.680 4.527 0.000 0.000 0.296 103 F C 3.065 178.847 175.800 -0.030 0.000 1.122 103 F CA 1.054 59.019 58.000 -0.058 0.000 1.201 103 F CB -1.136 37.801 39.000 -0.105 0.000 0.978 103 F HN 0.245 nan 8.300 nan 0.000 0.472 104 A N -0.107 122.831 122.820 0.197 0.000 1.908 104 A HA -0.241 4.079 4.320 0.000 0.000 0.218 104 A C 2.205 179.833 177.584 0.074 0.000 1.181 104 A CA 1.971 54.075 52.037 0.112 0.000 0.627 104 A CB -0.729 18.330 19.000 0.100 0.000 0.818 104 A HN 0.367 nan 8.150 nan 0.000 0.445 105 K N -0.551 119.891 120.400 0.070 0.000 2.097 105 K HA -0.112 4.208 4.320 0.000 0.000 0.206 105 K C 2.459 179.066 176.600 0.011 0.000 1.049 105 K CA 1.351 57.662 56.287 0.040 0.000 0.933 105 K CB -0.221 32.304 32.500 0.042 0.000 0.717 105 K HN 0.473 nan 8.250 nan 0.000 0.442 106 S N 0.256 115.951 115.700 -0.008 0.000 2.368 106 S HA -0.109 4.361 4.470 0.000 0.000 0.225 106 S C 2.087 176.669 174.600 -0.031 0.000 1.030 106 S CA 1.510 59.682 58.200 -0.046 0.000 0.999 106 S CB -0.446 62.687 63.200 -0.113 0.000 0.844 106 S HN 0.468 nan 8.310 nan 0.000 0.459 107 G N 1.209 110.007 108.800 -0.003 0.000 2.418 107 G HA2 -0.092 3.868 3.960 0.000 0.000 0.217 107 G HA3 -0.092 3.868 3.960 0.000 0.000 0.217 107 G C 1.420 176.318 174.900 -0.002 0.000 1.158 107 G CA 0.893 45.994 45.100 0.002 0.000 0.771 107 G HN 0.570 nan 8.290 nan 0.000 0.545 108 I N 0.142 120.716 120.570 0.006 0.000 2.252 108 I HA -0.092 4.078 4.170 0.000 0.000 0.245 108 I C 2.650 178.762 176.117 -0.009 0.000 1.102 108 I CA 1.233 62.534 61.300 0.003 0.000 1.385 108 I CB -0.135 37.873 38.000 0.014 0.000 1.064 108 I HN 0.244 nan 8.210 nan 0.000 0.414 109 E N 0.532 120.724 120.200 -0.013 0.000 2.106 109 E HA -0.185 4.165 4.350 0.000 0.000 0.192 109 E C 2.245 178.823 176.600 -0.035 0.000 0.984 109 E CA 1.271 57.658 56.400 -0.022 0.000 0.806 109 E CB 0.158 29.844 29.700 -0.023 0.000 0.750 109 E HN 0.358 nan 8.360 nan 0.000 0.458 110 S N 0.318 115.993 115.700 -0.041 0.000 2.356 110 S HA -0.169 4.301 4.470 0.000 0.000 0.223 110 S C 2.018 176.587 174.600 -0.051 0.000 1.032 110 S CA 1.080 59.247 58.200 -0.055 0.000 1.005 110 S CB -0.233 62.934 63.200 -0.054 0.000 0.867 110 S HN 0.471 nan 8.310 nan 0.000 0.449 111 A N 1.300 124.099 122.820 -0.035 0.000 1.902 111 A HA 0.004 4.324 4.320 0.000 0.000 0.217 111 A C 2.130 179.695 177.584 -0.033 0.000 1.181 111 A CA 1.118 53.137 52.037 -0.030 0.000 0.623 111 A CB -0.742 18.248 19.000 -0.016 0.000 0.818 111 A HN 0.446 nan 8.150 nan 0.000 0.443 112 L N -0.773 120.434 121.223 -0.028 0.000 2.046 112 L HA -0.179 4.161 4.340 0.000 0.000 0.208 112 L C 2.543 179.391 176.870 -0.038 0.000 1.077 112 L CA 1.098 55.922 54.840 -0.027 0.000 0.747 112 L CB -0.457 41.591 42.059 -0.020 0.000 0.896 112 L HN 0.387 nan 8.230 nan 0.000 0.432 113 L N -0.543 120.651 121.223 -0.050 0.000 2.141 113 L HA -0.223 4.117 4.340 0.000 0.000 0.209 113 L C 2.221 179.039 176.870 -0.087 0.000 1.094 113 L CA 1.089 55.889 54.840 -0.067 0.000 0.763 113 L CB -0.441 41.571 42.059 -0.080 0.000 0.908 113 L HN 0.301 nan 8.230 nan 0.000 0.437 114 D N 0.141 120.489 120.400 -0.086 0.000 2.084 114 D HA -0.163 4.477 4.640 0.000 0.000 0.196 114 D C 2.185 178.446 176.300 -0.066 0.000 0.985 114 D CA 1.460 55.405 54.000 -0.093 0.000 0.826 114 D CB 0.114 40.869 40.800 -0.075 0.000 0.978 114 D HN 0.188 nan 8.370 nan 0.000 0.456 115 A N -0.013 122.779 122.820 -0.047 0.000 1.908 115 A HA -0.226 4.094 4.320 0.000 0.000 0.218 115 A C 2.217 179.781 177.584 -0.034 0.000 1.181 115 A CA 2.131 54.147 52.037 -0.034 0.000 0.627 115 A CB -0.955 18.030 19.000 -0.025 0.000 0.818 115 A HN 0.378 nan 8.150 nan 0.000 0.445 116 Q N -0.288 119.489 119.800 -0.038 0.000 2.224 116 Q HA 0.026 4.366 4.340 0.000 0.000 0.203 116 Q C 1.799 177.776 176.000 -0.038 0.000 0.970 116 Q CA 1.736 57.519 55.803 -0.033 0.000 0.865 116 Q CB -0.677 28.041 28.738 -0.032 0.000 0.922 116 Q HN 0.499 nan 8.270 nan 0.000 0.445 117 G N 0.416 109.183 108.800 -0.054 0.000 2.403 117 G HA2 -0.181 3.779 3.960 0.000 0.000 0.216 117 G HA3 -0.181 3.779 3.960 0.000 0.000 0.216 117 G C 1.179 176.053 174.900 -0.043 0.000 1.154 117 G CA 0.536 45.600 45.100 -0.060 0.000 0.784 117 G HN 0.313 nan 8.290 nan 0.000 0.538 118 K N 0.417 120.793 120.400 -0.040 0.000 2.062 118 K HA -0.031 4.289 4.320 0.000 0.000 0.205 118 K C 2.452 179.040 176.600 -0.020 0.000 1.051 118 K CA 0.864 57.135 56.287 -0.028 0.000 0.941 118 K CB -0.207 32.278 32.500 -0.026 0.000 0.719 118 K HN 0.273 nan 8.250 nan 0.000 0.440 119 R N 1.597 122.085 120.500 -0.021 0.000 2.105 119 R HA -0.087 4.253 4.340 0.000 0.000 0.239 119 R C 1.776 178.068 176.300 -0.014 0.000 1.135 119 R CA 1.191 57.281 56.100 -0.016 0.000 0.967 119 R CB -0.101 30.190 30.300 -0.016 0.000 0.861 119 R HN 0.153 nan 8.270 nan 0.000 0.442 120 L N -0.362 120.852 121.223 -0.016 0.000 2.640 120 L HA 0.307 4.647 4.340 0.000 0.000 0.230 120 L C 0.938 177.801 176.870 -0.011 0.000 1.123 120 L CA 0.286 55.119 54.840 -0.012 0.000 0.900 120 L CB 0.586 42.637 42.059 -0.013 0.000 1.146 120 L HN 0.568 nan 8.230 nan 0.000 0.484 121 G N 1.454 110.246 108.800 -0.013 0.000 2.225 121 G HA2 -0.277 3.683 3.960 0.000 0.000 0.267 121 G HA3 -0.277 3.683 3.960 0.000 0.000 0.267 121 G C -0.028 174.868 174.900 -0.007 0.000 1.024 121 G CA 0.238 45.333 45.100 -0.010 0.000 0.784 121 G HN 0.274 nan 8.290 nan 0.000 0.507 122 L N 0.231 121.447 121.223 -0.012 0.000 2.346 122 L HA 0.541 4.881 4.340 0.000 0.000 0.274 122 L C -1.985 174.876 176.870 -0.014 0.000 1.007 122 L CA -2.677 52.160 54.840 -0.006 0.000 0.818 122 L CB 2.253 44.309 42.059 -0.005 0.000 1.284 122 L HN -0.135 nan 8.230 nan 0.000 0.424 123 P HA 0.056 nan 4.420 nan 0.000 0.272 123 P C 0.924 178.199 177.300 -0.041 0.000 1.223 123 P CA -0.337 62.775 63.100 0.020 0.000 0.784 123 P CB 1.208 33.008 31.700 0.167 0.000 0.923 124 V N 1.870 121.612 119.914 -0.286 0.000 2.453 124 V HA -0.272 3.848 4.120 0.000 0.000 0.252 124 V C 2.493 178.590 176.094 0.006 0.000 1.068 124 V CA 2.827 64.981 62.300 -0.243 0.000 1.070 124 V CB -1.674 29.859 31.823 -0.482 0.000 0.664 124 V HN 0.686 nan 8.190 nan 0.000 0.461 125 S N -0.045 115.843 115.700 0.314 0.000 2.400 125 S HA -0.209 4.261 4.470 0.000 0.000 0.232 125 S C 1.734 176.392 174.600 0.097 0.000 1.025 125 S CA 1.320 59.652 58.200 0.220 0.000 0.993 125 S CB -0.333 62.982 63.200 0.190 0.000 0.808 125 S HN 0.645 nan 8.310 nan 0.000 0.478 126 E N 1.885 122.133 120.200 0.080 0.000 2.076 126 E HA 0.152 4.502 4.350 0.000 0.000 0.190 126 E C 2.189 178.801 176.600 0.021 0.000 0.979 126 E CA 0.485 56.910 56.400 0.041 0.000 0.807 126 E CB -0.702 29.018 29.700 0.034 0.000 0.761 126 E HN 0.497 nan 8.360 nan 0.000 0.454 127 L N 0.483 121.710 121.223 0.007 0.000 2.079 127 L HA -0.138 4.202 4.340 0.000 0.000 0.210 127 L C 2.199 179.069 176.870 0.001 0.000 1.081 127 L CA 0.910 55.746 54.840 -0.006 0.000 0.752 127 L CB -0.416 41.626 42.059 -0.028 0.000 0.896 127 L HN 0.083 nan 8.230 nan 0.000 0.433 128 L N -0.822 120.407 121.223 0.010 0.000 2.627 128 L HA 0.083 4.423 4.340 0.000 0.000 0.233 128 L C 1.458 178.342 176.870 0.024 0.000 1.144 128 L CA 0.638 55.487 54.840 0.016 0.000 0.892 128 L CB -0.219 41.853 42.059 0.021 0.000 1.039 128 L HN 0.513 nan 8.230 nan 0.000 0.442 129 G N -0.813 108.001 108.800 0.022 0.000 2.796 129 G HA2 -0.009 3.951 3.960 0.000 0.000 0.198 129 G HA3 -0.009 3.951 3.960 0.000 0.000 0.198 129 G C 0.462 175.376 174.900 0.024 0.000 1.062 129 G CA -0.313 44.800 45.100 0.023 0.000 0.752 129 G HN 0.672 nan 8.290 nan 0.000 0.487 130 G N 0.212 109.030 108.800 0.029 0.000 2.760 130 G HA2 0.524 4.484 3.960 0.000 0.000 0.540 130 G HA3 0.524 4.484 3.960 0.000 0.000 0.540 130 G C -0.305 174.612 174.900 0.028 0.000 1.476 130 G CA 0.343 45.460 45.100 0.027 0.000 0.949 130 G HN 1.313 nan 8.290 nan 0.000 0.633 131 R N 0.990 121.505 120.500 0.025 0.000 2.594 131 R HA 0.510 4.850 4.340 0.000 0.000 0.272 131 R C 0.853 177.161 176.300 0.013 0.000 1.074 131 R CA 0.205 56.315 56.100 0.016 0.000 1.105 131 R CB 1.276 31.576 30.300 -0.001 0.000 1.008 131 R HN 1.204 nan 8.270 nan 0.000 0.472 132 V N -1.130 118.791 119.914 0.013 0.000 3.528 132 V HA 0.270 4.390 4.120 0.000 0.000 0.294 132 V C 0.369 176.466 176.094 0.005 0.000 1.404 132 V CA -0.068 62.237 62.300 0.010 0.000 1.065 132 V CB -1.158 30.672 31.823 0.012 0.000 0.904 132 V HN 0.924 nan 8.190 nan 0.000 0.435 133 R N -1.722 118.779 120.500 0.002 0.000 2.716 133 R HA 0.518 4.858 4.340 0.000 0.000 0.271 133 R C -1.051 175.242 176.300 -0.012 0.000 1.028 133 R CA -0.579 55.520 56.100 -0.002 0.000 0.883 133 R CB 1.177 31.475 30.300 -0.003 0.000 1.250 133 R HN -0.065 nan 8.270 nan 0.000 0.465 134 D N 0.100 120.495 120.400 -0.008 0.000 2.407 134 D HA 0.134 4.774 4.640 0.000 0.000 0.208 134 D C -0.362 175.921 176.300 -0.027 0.000 1.083 134 D CA 0.653 54.644 54.000 -0.014 0.000 0.844 134 D CB 0.916 41.725 40.800 0.014 0.000 0.967 134 D HN 0.574 nan 8.370 nan 0.000 0.506 135 S N -0.560 115.111 115.700 -0.048 0.000 2.638 135 S HA 0.742 5.212 4.470 0.000 0.000 0.274 135 S C -0.943 173.598 174.600 -0.099 0.000 1.157 135 S CA -0.867 57.252 58.200 -0.136 0.000 0.826 135 S CB 2.125 65.168 63.200 -0.261 0.000 1.139 135 S HN -0.022 nan 8.310 nan 0.000 0.474 136 L N 0.799 121.955 121.223 -0.112 0.000 2.401 136 L HA 0.636 4.976 4.340 0.000 0.000 0.266 136 L C -0.465 176.402 176.870 -0.004 0.000 0.991 136 L CA -0.810 54.013 54.840 -0.029 0.000 0.818 136 L CB 1.919 43.994 42.059 0.028 0.000 1.321 136 L HN 0.823 nan 8.230 nan 0.000 0.413 137 E N 1.434 121.652 120.200 0.030 0.000 2.384 137 E HA 0.312 4.662 4.350 0.000 0.000 0.266 137 E C -1.293 175.387 176.600 0.134 0.000 1.012 137 E CA -0.014 56.436 56.400 0.084 0.000 0.901 137 E CB 1.013 30.755 29.700 0.069 0.000 0.967 137 E HN 0.299 nan 8.360 nan 0.000 0.435 138 V N 4.288 124.339 119.914 0.228 0.000 2.444 138 V HA 0.626 4.746 4.120 0.000 0.000 0.294 138 V C 0.166 176.490 176.094 0.382 0.000 1.022 138 V CA -0.524 61.976 62.300 0.333 0.000 0.850 138 V CB 1.195 33.310 31.823 0.488 0.000 0.992 138 V HN 0.895 nan 8.190 nan 0.000 0.426 139 A N 5.149 128.146 122.820 0.294 0.000 2.287 139 A HA 0.685 5.005 4.320 0.000 0.000 0.273 139 A C -0.669 176.951 177.584 0.060 0.000 1.091 139 A CA -0.507 51.633 52.037 0.171 0.000 0.817 139 A CB 0.871 20.025 19.000 0.257 0.000 1.069 139 A HN 0.991 nan 8.150 nan 0.000 0.492 140 W N 1.348 122.362 121.300 -0.477 0.000 2.715 140 W HA 0.372 5.032 4.660 0.000 0.000 0.331 140 W C -1.302 174.957 176.519 -0.433 0.000 1.031 140 W CA -0.406 56.452 57.345 -0.811 0.000 1.237 140 W CB 1.797 30.678 29.460 -0.965 0.000 1.378 140 W HN 0.625 nan 8.180 nan 0.000 0.454 141 T N 6.660 120.416 114.554 -1.329 0.000 2.752 141 T HA 0.231 4.581 4.350 0.000 0.000 0.295 141 T C 0.333 174.505 174.700 -0.880 0.000 0.923 141 T CA 0.028 61.659 62.100 -0.782 0.000 1.112 141 T CB 0.340 68.876 68.868 -0.554 0.000 0.884 141 T HN 0.221 nan 8.240 nan 0.000 0.525 142 L N 3.149 124.160 121.223 -0.353 0.000 2.315 142 L HA 0.401 4.741 4.340 0.000 0.000 0.283 142 L C 1.146 177.918 176.870 -0.163 0.000 1.089 142 L CA -0.439 54.281 54.840 -0.200 0.000 0.833 142 L CB 0.607 42.637 42.059 -0.049 0.000 1.170 142 L HN 0.778 nan 8.230 nan 0.000 0.442 143 A N 1.319 124.032 122.820 -0.178 0.000 2.431 143 A HA 0.014 4.334 4.320 0.000 0.000 0.239 143 A C 1.982 179.531 177.584 -0.058 0.000 1.230 143 A CA 0.488 52.450 52.037 -0.124 0.000 0.928 143 A CB 0.049 18.947 19.000 -0.169 0.000 1.006 143 A HN 0.745 nan 8.150 nan 0.000 0.520 144 S N -0.190 115.498 115.700 -0.020 0.000 2.462 144 S HA 0.070 4.540 4.470 0.000 0.000 0.243 144 S C 1.739 176.328 174.600 -0.018 0.000 1.003 144 S CA 1.684 59.882 58.200 -0.003 0.000 0.970 144 S CB -0.833 62.379 63.200 0.020 0.000 0.762 144 S HN 1.999 nan 8.310 nan 0.000 0.510 145 G N 0.623 109.401 108.800 -0.038 0.000 2.175 145 G HA2 -0.274 3.686 3.960 0.000 0.000 0.265 145 G HA3 -0.274 3.686 3.960 0.000 0.000 0.265 145 G C -0.225 174.626 174.900 -0.083 0.000 0.979 145 G CA 0.503 45.545 45.100 -0.097 0.000 0.663 145 G HN 0.742 nan 8.290 nan 0.000 0.533 146 D N -0.561 119.842 120.400 0.006 0.000 2.593 146 D HA 0.501 5.141 4.640 0.000 0.000 0.251 146 D C 1.556 177.935 176.300 0.133 0.000 1.140 146 D CA 0.224 54.250 54.000 0.042 0.000 0.855 146 D CB 1.114 41.927 40.800 0.022 0.000 1.267 146 D HN -0.037 nan 8.370 nan 0.000 0.532 147 T N 2.448 117.126 114.554 0.207 0.000 2.635 147 T HA -0.175 4.175 4.350 0.000 0.000 0.267 147 T C 1.855 176.578 174.700 0.039 0.000 1.040 147 T CA 1.913 64.116 62.100 0.171 0.000 1.156 147 T CB -0.126 68.835 68.868 0.155 0.000 0.863 147 T HN 0.583 nan 8.240 nan 0.000 0.430 148 A N 1.425 124.265 122.820 0.033 0.000 1.883 148 A HA -0.136 4.184 4.320 0.000 0.000 0.217 148 A C 2.367 179.952 177.584 0.002 0.000 1.186 148 A CA 1.927 53.968 52.037 0.007 0.000 0.624 148 A CB -0.577 18.428 19.000 0.009 0.000 0.822 148 A HN 0.283 nan 8.150 nan 0.000 0.444 149 R N 0.048 120.556 120.500 0.014 0.000 2.073 149 R HA -0.106 4.234 4.340 0.000 0.000 0.234 149 R C 1.675 177.977 176.300 0.005 0.000 1.134 149 R CA 1.785 57.891 56.100 0.010 0.000 0.952 149 R CB -0.498 29.812 30.300 0.017 0.000 0.850 149 R HN 0.534 nan 8.270 nan 0.000 0.433 150 D N -0.169 120.239 120.400 0.012 0.000 2.117 150 D HA -0.135 4.505 4.640 0.000 0.000 0.197 150 D C 1.838 178.082 176.300 -0.092 0.000 0.987 150 D CA 1.240 55.228 54.000 -0.019 0.000 0.829 150 D CB -0.123 40.684 40.800 0.012 0.000 0.961 150 D HN 0.259 nan 8.370 nan 0.000 0.460 151 I N 0.846 121.364 120.570 -0.086 0.000 2.361 151 I HA -0.232 3.938 4.170 0.000 0.000 0.251 151 I C 2.386 178.453 176.117 -0.083 0.000 1.133 151 I CA 0.809 62.045 61.300 -0.107 0.000 1.413 151 I CB -0.174 37.783 38.000 -0.072 0.000 1.073 151 I HN -0.069 nan 8.210 nan 0.000 0.424 152 A N 0.388 123.182 122.820 -0.044 0.000 1.873 152 A HA -0.245 4.075 4.320 0.000 0.000 0.215 152 A C 2.310 179.896 177.584 0.004 0.000 1.186 152 A CA 1.726 53.754 52.037 -0.016 0.000 0.616 152 A CB -0.591 18.403 19.000 -0.010 0.000 0.823 152 A HN 0.443 nan 8.150 nan 0.000 0.442 153 E N -0.211 119.989 120.200 -0.001 0.000 2.110 153 E HA -0.121 4.229 4.350 0.000 0.000 0.193 153 E C 2.118 178.705 176.600 -0.022 0.000 0.988 153 E CA 0.951 57.384 56.400 0.055 0.000 0.804 153 E CB -0.223 29.538 29.700 0.102 0.000 0.745 153 E HN 0.555 nan 8.360 nan 0.000 0.458 154 A N 1.446 124.116 122.820 -0.251 0.000 1.858 154 A HA -0.178 4.142 4.320 0.000 0.000 0.216 154 A C 2.145 179.612 177.584 -0.195 0.000 1.190 154 A CA 1.425 53.066 52.037 -0.660 0.000 0.617 154 A CB -0.456 18.038 19.000 -0.844 0.000 0.827 154 A HN 0.163 nan 8.150 nan 0.000 0.443 155 R N -1.481 118.975 120.500 -0.073 0.000 2.096 155 R HA -0.179 4.161 4.340 0.000 0.000 0.235 155 R C 2.214 178.564 176.300 0.083 0.000 1.127 155 R CA 1.680 57.798 56.100 0.030 0.000 0.968 155 R CB -0.667 29.649 30.300 0.026 0.000 0.861 155 R HN 0.818 nan 8.270 nan 0.000 0.440 156 H N 0.877 119.947 119.070 -0.000 0.000 2.321 156 H HA -0.049 4.507 4.556 0.000 0.000 0.300 156 H C 1.969 177.316 175.328 0.032 0.000 1.087 156 H CA 1.698 57.751 56.048 0.007 0.000 1.319 156 H CB 0.014 29.769 29.762 -0.012 0.000 1.379 156 H HN -0.069 nan 8.280 nan 0.000 0.501 157 M N -0.089 119.486 119.600 -0.042 0.000 2.213 157 M HA -0.108 4.372 4.480 0.000 0.000 0.263 157 M C 2.409 178.775 176.300 0.110 0.000 1.062 157 M CA 1.079 56.372 55.300 -0.011 0.000 1.105 157 M CB -0.878 31.913 32.600 0.319 0.000 1.385 157 M HN 0.366 nan 8.290 nan 0.000 0.417 158 L N -0.787 120.570 121.223 0.222 0.000 2.072 158 L HA -0.191 4.149 4.340 0.000 0.000 0.205 158 L C 2.447 179.403 176.870 0.143 0.000 1.079 158 L CA 1.082 56.089 54.840 0.278 0.000 0.752 158 L CB -0.465 41.742 42.059 0.247 0.000 0.906 158 L HN 0.327 nan 8.230 nan 0.000 0.436 159 E N 1.096 121.315 120.200 0.032 0.000 2.033 159 E HA -0.266 4.084 4.350 0.000 0.000 0.199 159 E C 1.938 178.490 176.600 -0.080 0.000 1.011 159 E CA 1.880 58.272 56.400 -0.013 0.000 0.815 159 E CB -0.159 29.530 29.700 -0.018 0.000 0.755 159 E HN 0.617 nan 8.360 nan 0.000 0.451 160 I N -1.588 118.859 120.570 -0.205 0.000 3.550 160 I HA 0.096 4.266 4.170 0.000 0.000 0.295 160 I C -0.120 175.844 176.117 -0.255 0.000 1.291 160 I CA 0.124 61.286 61.300 -0.230 0.000 1.298 160 I CB -0.322 37.479 38.000 -0.331 0.000 1.026 160 I HN 0.049 nan 8.210 nan 0.000 0.491 161 R N 0.901 121.269 120.500 -0.221 0.000 3.322 161 R HA -0.212 4.128 4.340 0.000 0.000 0.253 161 R C 1.164 177.016 176.300 -0.745 0.000 0.987 161 R CA 0.771 56.559 56.100 -0.520 0.000 0.666 161 R CB -1.779 28.147 30.300 -0.624 0.000 1.072 161 R HN 0.600 nan 8.270 nan 0.000 0.447 162 R N -0.218 120.029 120.500 -0.421 0.000 2.167 162 R HA 0.113 4.453 4.340 0.000 0.000 0.201 162 R C 0.160 176.118 176.300 -0.571 0.000 1.024 162 R CA 0.545 56.310 56.100 -0.557 0.000 1.053 162 R CB 0.531 30.448 30.300 -0.638 0.000 0.987 162 R HN 0.289 nan 8.270 nan 0.000 0.493 163 H N -0.673 118.498 119.070 0.168 0.000 2.894 163 H HA 0.262 4.818 4.556 0.000 0.000 0.367 163 H C -0.369 174.991 175.328 0.054 0.000 1.144 163 H CA -0.594 55.522 56.048 0.114 0.000 1.180 163 H CB 1.813 31.503 29.762 -0.119 0.000 1.758 163 H HN 0.150 nan 8.280 nan 0.000 0.541 164 R N 0.339 120.756 120.500 -0.139 0.000 2.549 164 R HA 0.381 4.721 4.340 0.000 0.000 0.361 164 R C -1.056 174.992 176.300 -0.419 0.000 0.969 164 R CA -0.105 55.810 56.100 -0.308 0.000 1.158 164 R CB 0.565 30.499 30.300 -0.611 0.000 1.456 164 R HN 0.092 nan 8.270 nan 0.000 0.540 165 V N 2.079 121.614 119.914 -0.631 0.000 2.483 165 V HA 0.525 4.645 4.120 0.000 0.000 0.297 165 V C -1.323 174.384 176.094 -0.645 0.000 1.027 165 V CA -0.604 61.466 62.300 -0.385 0.000 0.855 165 V CB 1.399 33.174 31.823 -0.080 0.000 0.995 165 V HN 0.079 nan 8.190 nan 0.000 0.424 166 F N 3.412 123.427 119.950 0.108 0.000 2.551 166 F HA 0.711 5.238 4.527 0.000 0.000 0.316 166 F C 0.138 175.954 175.800 0.027 0.000 1.089 166 F CA -0.934 57.108 58.000 0.069 0.000 0.915 166 F CB 2.167 41.210 39.000 0.073 0.000 1.186 166 F HN 0.429 nan 8.300 nan 0.000 0.456 167 K N 2.812 123.307 120.400 0.158 0.000 2.318 167 K HA 0.794 5.114 4.320 0.000 0.000 0.249 167 K C -1.770 174.849 176.600 0.033 0.000 0.942 167 K CA -0.921 55.412 56.287 0.077 0.000 0.808 167 K CB 2.258 34.800 32.500 0.070 0.000 1.189 167 K HN 0.366 nan 8.250 nan 0.000 0.428 168 L N 2.535 123.774 121.223 0.026 0.000 2.305 168 L HA 0.368 4.708 4.340 0.000 0.000 0.284 168 L C -0.210 176.658 176.870 -0.004 0.000 1.013 168 L CA -0.597 54.262 54.840 0.032 0.000 0.819 168 L CB 1.300 43.408 42.059 0.082 0.000 1.227 168 L HN 0.725 nan 8.230 nan 0.000 0.417 169 K N 5.504 125.887 120.400 -0.027 0.000 2.310 169 K HA 0.481 4.801 4.320 0.000 0.000 0.290 169 K C -0.099 176.431 176.600 -0.117 0.000 1.077 169 K CA -0.109 56.139 56.287 -0.065 0.000 0.922 169 K CB 1.227 33.698 32.500 -0.049 0.000 1.057 169 K HN 0.608 nan 8.250 nan 0.000 0.479 170 I N -2.722 117.742 120.570 -0.176 0.000 3.445 170 I HA 0.703 4.873 4.170 0.000 0.000 0.303 170 I C 0.726 176.608 176.117 -0.391 0.000 1.129 170 I CA -0.669 60.504 61.300 -0.213 0.000 0.989 170 I CB 2.097 40.045 38.000 -0.087 0.000 1.314 170 I HN 0.632 nan 8.210 nan 0.000 0.488 171 G N 0.521 109.141 108.800 -0.301 0.000 2.195 171 G HA2 -0.208 3.752 3.960 0.000 0.000 0.224 171 G HA3 -0.208 3.752 3.960 0.000 0.000 0.224 171 G C 0.783 175.486 174.900 -0.329 0.000 0.990 171 G CA 0.492 45.392 45.100 -0.333 0.000 0.639 171 G HN 1.303 nan 8.290 nan 0.000 0.514 172 A N -0.260 122.293 122.820 -0.446 0.000 2.132 172 A HA 0.533 4.853 4.320 0.000 0.000 0.213 172 A C 0.943 178.455 177.584 -0.121 0.000 1.154 172 A CA 1.394 53.210 52.037 -0.369 0.000 0.753 172 A CB -0.035 18.721 19.000 -0.407 0.000 0.826 172 A HN 0.609 nan 8.150 nan 0.000 0.469 173 N N -0.522 118.138 118.700 -0.066 0.000 2.525 173 N HA 0.492 5.232 4.740 0.000 0.000 0.288 173 N C -2.992 172.549 175.510 0.051 0.000 1.242 173 N CA -1.949 51.093 53.050 -0.014 0.000 0.905 173 N CB 0.554 39.018 38.487 -0.037 0.000 1.258 173 N HN -0.141 nan 8.380 nan 0.000 0.551 174 P HA -0.073 nan 4.420 nan 0.000 0.266 174 P C 0.702 178.045 177.300 0.071 0.000 1.193 174 P CA -0.039 63.090 63.100 0.048 0.000 0.770 174 P CB 0.561 32.273 31.700 0.020 0.000 0.836 175 V N 1.993 121.936 119.914 0.049 0.000 2.282 175 V HA -0.271 3.849 4.120 0.000 0.000 0.249 175 V C 2.269 178.374 176.094 0.018 0.000 1.057 175 V CA 2.196 64.505 62.300 0.015 0.000 1.032 175 V CB -0.921 30.781 31.823 -0.202 0.000 0.645 175 V HN 0.602 nan 8.190 nan 0.000 0.447 176 E N -0.188 120.009 120.200 -0.005 0.000 2.077 176 E HA -0.239 4.111 4.350 0.000 0.000 0.193 176 E C 2.275 178.895 176.600 0.035 0.000 0.989 176 E CA 1.580 57.982 56.400 0.003 0.000 0.800 176 E CB -0.325 29.370 29.700 -0.008 0.000 0.746 176 E HN 0.646 nan 8.360 nan 0.000 0.452 177 Q N -0.025 119.798 119.800 0.038 0.000 2.061 177 Q HA -0.189 4.151 4.340 0.000 0.000 0.204 177 Q C 1.836 177.884 176.000 0.079 0.000 0.984 177 Q CA 1.918 57.747 55.803 0.043 0.000 0.846 177 Q CB -0.165 28.584 28.738 0.018 0.000 0.902 177 Q HN 0.378 nan 8.270 nan 0.000 0.421 178 N N -0.322 118.437 118.700 0.098 0.000 2.188 178 N HA -0.105 4.636 4.740 0.000 0.000 0.184 178 N C 1.877 177.503 175.510 0.192 0.000 1.018 178 N CA 0.674 53.815 53.050 0.150 0.000 0.858 178 N CB 0.042 38.641 38.487 0.187 0.000 0.989 178 N HN 0.195 nan 8.380 nan 0.000 0.426 179 L N 1.371 122.683 121.223 0.149 0.000 1.994 179 L HA -0.203 4.137 4.340 0.000 0.000 0.208 179 L C 2.565 179.487 176.870 0.086 0.000 1.071 179 L CA 1.362 56.268 54.840 0.111 0.000 0.745 179 L CB -0.462 41.628 42.059 0.053 0.000 0.892 179 L HN 0.221 nan 8.230 nan 0.000 0.431 180 K N -0.664 119.783 120.400 0.078 0.000 2.001 180 K HA -0.290 4.030 4.320 0.000 0.000 0.214 180 K C 2.234 178.882 176.600 0.080 0.000 1.050 180 K CA 1.841 58.166 56.287 0.064 0.000 0.934 180 K CB -0.392 32.143 32.500 0.058 0.000 0.718 180 K HN 0.388 nan 8.250 nan 0.000 0.443 181 H N 0.287 119.365 119.070 0.014 0.000 2.265 181 H HA -0.157 4.399 4.556 0.000 0.000 0.293 181 H C 1.988 177.322 175.328 0.010 0.000 1.089 181 H CA 2.401 58.453 56.048 0.007 0.000 1.244 181 H CB -0.220 29.545 29.762 0.004 0.000 1.355 181 H HN 0.063 nan 8.280 nan 0.000 0.485 182 V N 0.763 120.649 119.914 -0.048 0.000 2.343 182 V HA -0.225 3.895 4.120 0.000 0.000 0.247 182 V C 2.989 179.038 176.094 -0.074 0.000 1.051 182 V CA 1.504 63.745 62.300 -0.098 0.000 1.036 182 V CB -0.461 31.393 31.823 0.052 0.000 0.654 182 V HN 0.294 nan 8.190 nan 0.000 0.451 183 V N -0.588 119.313 119.914 -0.023 0.000 2.548 183 V HA -0.208 3.912 4.120 0.000 0.000 0.249 183 V C 2.507 178.581 176.094 -0.034 0.000 1.055 183 V CA 2.298 64.589 62.300 -0.015 0.000 1.065 183 V CB -0.809 31.017 31.823 0.005 0.000 0.681 183 V HN 0.587 nan 8.190 nan 0.000 0.462 184 T N 0.479 115.004 114.554 -0.049 0.000 2.708 184 T HA -0.113 4.237 4.350 0.000 0.000 0.266 184 T C 1.839 176.493 174.700 -0.077 0.000 1.037 184 T CA 1.737 63.806 62.100 -0.051 0.000 1.146 184 T CB -0.249 68.593 68.868 -0.044 0.000 0.865 184 T HN 0.339 nan 8.240 nan 0.000 0.435 185 I N 0.807 121.293 120.570 -0.140 0.000 2.179 185 I HA -0.179 3.991 4.170 0.000 0.000 0.242 185 I C 2.561 178.633 176.117 -0.075 0.000 1.088 185 I CA 1.182 62.396 61.300 -0.143 0.000 1.357 185 I CB -0.280 37.580 38.000 -0.235 0.000 1.051 185 I HN 0.120 nan 8.210 nan 0.000 0.409 186 K N 1.471 121.840 120.400 -0.051 0.000 2.026 186 K HA -0.161 4.159 4.320 0.000 0.000 0.208 186 K C 2.169 178.766 176.600 -0.005 0.000 1.048 186 K CA 1.584 57.866 56.287 -0.009 0.000 0.929 186 K CB -0.312 32.190 32.500 0.003 0.000 0.713 186 K HN 0.029 nan 8.250 nan 0.000 0.439 187 R N 0.124 120.617 120.500 -0.012 0.000 2.096 187 R HA -0.161 4.179 4.340 0.000 0.000 0.240 187 R C 2.162 178.458 176.300 -0.006 0.000 1.139 187 R CA 1.860 57.956 56.100 -0.006 0.000 0.952 187 R CB -0.315 29.979 30.300 -0.009 0.000 0.854 187 R HN 0.216 nan 8.270 nan 0.000 0.436 188 E N 0.046 120.235 120.200 -0.017 0.000 2.106 188 E HA -0.122 4.228 4.350 0.000 0.000 0.192 188 E C 1.460 178.055 176.600 -0.008 0.000 0.984 188 E CA 1.022 57.412 56.400 -0.016 0.000 0.806 188 E CB 0.025 29.707 29.700 -0.030 0.000 0.750 188 E HN 0.102 nan 8.360 nan 0.000 0.458 189 L N -1.019 120.201 121.223 -0.005 0.000 2.307 189 L HA 0.252 4.592 4.340 0.000 0.000 0.211 189 L C 1.498 178.386 176.870 0.030 0.000 1.099 189 L CA 1.170 56.019 54.840 0.016 0.000 0.816 189 L CB -0.970 41.106 42.059 0.029 0.000 0.952 189 L HN 0.254 nan 8.230 nan 0.000 0.455 190 G N 0.787 109.602 108.800 0.024 0.000 2.575 190 G HA2 -0.393 3.567 3.960 0.000 0.000 0.267 190 G HA3 -0.393 3.567 3.960 0.000 0.000 0.267 190 G C 0.463 175.384 174.900 0.035 0.000 1.264 190 G CA 0.384 45.500 45.100 0.026 0.000 0.935 190 G HN 0.427 nan 8.290 nan 0.000 0.568 191 D N 0.055 120.472 120.400 0.028 0.000 2.338 191 D HA 0.097 4.737 4.640 0.000 0.000 0.239 191 D C 2.095 178.410 176.300 0.023 0.000 1.095 191 D CA 1.411 55.427 54.000 0.026 0.000 0.888 191 D CB -0.466 40.344 40.800 0.017 0.000 0.899 191 D HN 0.867 nan 8.370 nan 0.000 0.525 192 S N -1.136 114.586 115.700 0.036 0.000 2.496 192 S HA 0.389 4.859 4.470 0.000 0.000 0.224 192 S C 0.872 175.505 174.600 0.055 0.000 0.996 192 S CA 0.057 58.279 58.200 0.038 0.000 0.927 192 S CB 0.034 63.266 63.200 0.054 0.000 0.774 192 S HN 0.469 nan 8.310 nan 0.000 0.524 193 A N 0.604 123.478 122.820 0.091 0.000 2.572 193 A HA 0.732 5.052 4.320 0.000 0.000 0.295 193 A C -0.570 177.086 177.584 0.119 0.000 1.072 193 A CA -0.507 51.614 52.037 0.140 0.000 0.691 193 A CB 1.393 20.620 19.000 0.379 0.000 1.291 193 A HN 0.250 nan 8.150 nan 0.000 0.404 194 S N 0.297 116.053 115.700 0.093 0.000 2.480 194 S HA 0.605 5.076 4.470 0.000 0.000 0.286 194 S C -0.704 173.978 174.600 0.137 0.000 1.180 194 S CA -0.349 57.912 58.200 0.101 0.000 1.075 194 S CB 0.408 63.666 63.200 0.097 0.000 0.996 194 S HN 1.041 nan 8.310 nan 0.000 0.487 195 V N 6.276 126.260 119.914 0.117 0.000 2.448 195 V HA 0.613 4.733 4.120 0.000 0.000 0.295 195 V C -0.194 175.930 176.094 0.050 0.000 1.025 195 V CA -0.798 61.569 62.300 0.111 0.000 0.859 195 V CB 1.445 33.321 31.823 0.089 0.000 0.988 195 V HN 0.897 nan 8.190 nan 0.000 0.431 196 R N 2.414 122.936 120.500 0.036 0.000 2.888 196 R HA 0.893 5.233 4.340 0.000 0.000 0.266 196 R C -0.780 175.503 176.300 -0.029 0.000 1.020 196 R CA -0.732 55.346 56.100 -0.036 0.000 0.963 196 R CB 2.305 32.551 30.300 -0.090 0.000 1.197 196 R HN 0.664 nan 8.270 nan 0.000 0.481 197 V N -2.370 117.504 119.914 -0.067 0.000 3.074 197 V HA 0.696 4.816 4.120 0.000 0.000 0.314 197 V C -1.187 174.842 176.094 -0.107 0.000 1.117 197 V CA -0.702 61.560 62.300 -0.064 0.000 1.014 197 V CB 2.285 34.078 31.823 -0.051 0.000 1.057 197 V HN 0.681 nan 8.190 nan 0.000 0.438 198 D N 1.182 121.516 120.400 -0.111 0.000 2.476 198 D HA 0.440 5.080 4.640 0.000 0.000 0.251 198 D C 0.222 176.419 176.300 -0.172 0.000 1.291 198 D CA -0.227 53.708 54.000 -0.110 0.000 0.939 198 D CB 2.077 42.861 40.800 -0.026 0.000 1.221 198 D HN 0.408 nan 8.370 nan 0.000 0.567 199 V N 2.849 122.597 119.914 -0.277 0.000 3.623 199 V HA 0.064 4.184 4.120 0.000 0.000 0.271 199 V C 1.281 177.308 176.094 -0.112 0.000 1.248 199 V CA -0.122 61.924 62.300 -0.424 0.000 1.156 199 V CB -0.946 30.317 31.823 -0.934 0.000 0.870 199 V HN 0.748 nan 8.190 nan 0.000 0.453 200 N N 1.496 120.169 118.700 -0.044 0.000 2.716 200 N HA -0.294 4.446 4.740 0.000 0.000 0.250 200 N C 0.685 176.127 175.510 -0.114 0.000 1.033 200 N CA 1.229 54.282 53.050 0.004 0.000 0.727 200 N CB -0.663 37.912 38.487 0.147 0.000 0.950 200 N HN 0.818 nan 8.380 nan 0.000 0.541 201 Q N -3.793 115.931 119.800 -0.127 0.000 2.362 201 Q HA -0.298 4.042 4.340 0.000 0.000 0.220 201 Q C 0.325 176.221 176.000 -0.174 0.000 0.713 201 Q CA 1.576 57.287 55.803 -0.154 0.000 1.345 201 Q CB -1.656 26.962 28.738 -0.200 0.000 1.570 201 Q HN 0.642 nan 8.270 nan 0.000 0.701 202 Y N -1.163 119.022 120.300 -0.192 0.000 2.403 202 Y HA -0.147 4.403 4.550 0.000 0.000 0.291 202 Y C 1.097 177.021 175.900 0.040 0.000 1.143 202 Y CA 1.014 59.035 58.100 -0.132 0.000 1.257 202 Y CB 0.291 38.622 38.460 -0.215 0.000 0.984 202 Y HN 0.196 nan 8.280 nan 0.000 0.550 203 W N 1.343 122.705 121.300 0.103 0.000 2.436 203 W HA 0.291 4.951 4.660 0.000 0.000 0.347 203 W C -0.308 176.221 176.519 0.017 0.000 1.136 203 W CA -1.621 55.757 57.345 0.054 0.000 1.286 203 W CB 0.406 29.890 29.460 0.040 0.000 1.253 203 W HN -0.018 nan 8.180 nan 0.000 0.617 204 D N -0.930 119.621 120.400 0.252 0.000 2.228 204 D HA 0.102 4.742 4.640 0.000 0.000 0.247 204 D C 0.749 177.109 176.300 0.101 0.000 0.995 204 D CA -0.590 53.486 54.000 0.127 0.000 0.903 204 D CB 1.046 41.889 40.800 0.071 0.000 1.205 204 D HN 0.551 nan 8.370 nan 0.000 0.459 205 E N 0.597 120.838 120.200 0.069 0.000 2.164 205 E HA -0.344 4.006 4.350 0.000 0.000 0.206 205 E C 1.534 178.134 176.600 0.001 0.000 1.032 205 E CA 2.168 58.594 56.400 0.044 0.000 0.832 205 E CB -0.022 29.695 29.700 0.028 0.000 0.742 205 E HN 0.572 nan 8.360 nan 0.000 0.460 206 S N -0.447 115.246 115.700 -0.012 0.000 2.419 206 S HA -0.205 4.265 4.470 0.000 0.000 0.233 206 S C 1.833 176.375 174.600 -0.096 0.000 1.016 206 S CA 1.305 59.480 58.200 -0.043 0.000 0.974 206 S CB -0.114 63.067 63.200 -0.032 0.000 0.786 206 S HN 0.337 nan 8.310 nan 0.000 0.492 207 Q N 0.542 120.267 119.800 -0.126 0.000 2.204 207 Q HA 0.322 4.662 4.340 0.000 0.000 0.198 207 Q C 2.586 178.302 176.000 -0.474 0.000 0.946 207 Q CA 0.894 56.517 55.803 -0.301 0.000 0.859 207 Q CB -0.366 28.168 28.738 -0.339 0.000 0.946 207 Q HN 0.723 nan 8.270 nan 0.000 0.474 208 A N 0.969 123.629 122.820 -0.266 0.000 1.972 208 A HA -0.163 4.157 4.320 0.000 0.000 0.219 208 A C 1.997 179.496 177.584 -0.140 0.000 1.169 208 A CA 0.925 52.865 52.037 -0.162 0.000 0.635 208 A CB -0.621 18.493 19.000 0.189 0.000 0.810 208 A HN 0.300 nan 8.150 nan 0.000 0.446 209 I N -1.076 119.430 120.570 -0.106 0.000 2.113 209 I HA -0.322 3.848 4.170 0.000 0.000 0.242 209 I C 2.889 178.946 176.117 -0.101 0.000 1.064 209 I CA 1.637 62.891 61.300 -0.077 0.000 1.320 209 I CB -0.261 37.702 38.000 -0.062 0.000 1.028 209 I HN 0.290 nan 8.210 nan 0.000 0.406 210 R N 0.364 120.773 120.500 -0.152 0.000 2.062 210 R HA -0.025 4.315 4.340 0.000 0.000 0.226 210 R C 2.370 178.571 176.300 -0.165 0.000 1.125 210 R CA 1.356 57.371 56.100 -0.142 0.000 0.966 210 R CB -0.425 29.786 30.300 -0.148 0.000 0.861 210 R HN 0.365 nan 8.270 nan 0.000 0.433 211 A N 0.642 123.285 122.820 -0.296 0.000 1.883 211 A HA -0.222 4.099 4.320 0.000 0.000 0.217 211 A C 2.572 180.104 177.584 -0.087 0.000 1.186 211 A CA 1.813 53.670 52.037 -0.300 0.000 0.624 211 A CB -1.112 17.382 19.000 -0.844 0.000 0.822 211 A HN 0.481 nan 8.150 nan 0.000 0.444 212 C N -1.328 117.946 119.300 -0.042 0.000 2.401 212 C HA -0.131 4.329 4.460 0.000 0.000 0.276 212 C C 2.895 177.893 174.990 0.013 0.000 1.233 212 C CA 1.561 60.608 59.018 0.049 0.000 1.753 212 C CB -1.153 26.620 27.740 0.055 0.000 2.029 212 C HN 0.803 nan 8.230 nan 0.000 0.478 213 Q N 0.813 120.602 119.800 -0.017 0.000 2.020 213 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 213 Q C 2.072 178.066 176.000 -0.011 0.000 0.982 213 Q CA 2.278 58.072 55.803 -0.016 0.000 0.838 213 Q CB -0.446 28.275 28.738 -0.028 0.000 0.899 213 Q HN 0.459 nan 8.270 nan 0.000 0.423 214 V N 0.714 120.616 119.914 -0.019 0.000 2.287 214 V HA -0.289 3.831 4.120 0.000 0.000 0.248 214 V C 2.396 178.495 176.094 0.009 0.000 1.053 214 V CA 1.949 64.243 62.300 -0.010 0.000 1.027 214 V CB -0.711 31.099 31.823 -0.021 0.000 0.646 214 V HN 0.407 nan 8.190 nan 0.000 0.447 215 L N 0.357 121.595 121.223 0.026 0.000 2.012 215 L HA -0.126 4.214 4.340 0.000 0.000 0.210 215 L C 2.653 179.536 176.870 0.022 0.000 1.073 215 L CA 1.945 56.810 54.840 0.041 0.000 0.748 215 L CB -1.259 40.847 42.059 0.078 0.000 0.891 215 L HN 0.497 nan 8.230 nan 0.000 0.431 216 G N -0.816 107.993 108.800 0.016 0.000 2.443 216 G HA2 -0.214 3.747 3.960 0.000 0.000 0.219 216 G HA3 -0.214 3.747 3.960 0.000 0.000 0.219 216 G C 1.006 175.912 174.900 0.009 0.000 1.131 216 G CA 0.613 45.717 45.100 0.007 0.000 0.775 216 G HN 0.305 nan 8.290 nan 0.000 0.547 217 D N 0.076 120.480 120.400 0.007 0.000 2.355 217 D HA 0.034 4.675 4.640 0.000 0.000 0.218 217 D C 1.015 177.320 176.300 0.008 0.000 1.004 217 D CA 0.258 54.262 54.000 0.006 0.000 0.880 217 D CB 0.135 40.935 40.800 0.001 0.000 0.911 217 D HN 0.214 nan 8.370 nan 0.000 0.528 218 N N -0.288 118.419 118.700 0.011 0.000 2.480 218 N HA 0.185 4.925 4.740 0.000 0.000 0.281 218 N C 0.685 176.204 175.510 0.015 0.000 1.381 218 N CA 0.086 53.143 53.050 0.011 0.000 0.903 218 N CB 1.562 40.055 38.487 0.010 0.000 1.274 218 N HN 0.063 nan 8.380 nan 0.000 0.505 219 G N 0.918 109.729 108.800 0.018 0.000 2.168 219 G HA2 -0.280 3.680 3.960 0.000 0.000 0.263 219 G HA3 -0.280 3.680 3.960 0.000 0.000 0.263 219 G C 0.107 175.024 174.900 0.027 0.000 0.977 219 G CA -0.159 44.956 45.100 0.025 0.000 0.659 219 G HN 0.270 nan 8.290 nan 0.000 0.533 220 I N 1.797 122.378 120.570 0.017 0.000 2.517 220 I HA 0.217 4.387 4.170 0.000 0.000 0.285 220 I C 1.282 177.391 176.117 -0.013 0.000 1.106 220 I CA -0.936 60.368 61.300 0.007 0.000 1.402 220 I CB 1.036 39.040 38.000 0.006 0.000 1.399 220 I HN 0.033 nan 8.210 nan 0.000 0.535 221 D N 5.295 125.685 120.400 -0.017 0.000 2.178 221 D HA 0.009 4.649 4.640 0.000 0.000 0.202 221 D C 0.238 176.371 176.300 -0.278 0.000 0.974 221 D CA 1.307 55.281 54.000 -0.043 0.000 0.841 221 D CB 0.132 40.984 40.800 0.086 0.000 0.953 221 D HN 0.421 nan 8.370 nan 0.000 0.478 222 L N -2.834 118.200 121.223 -0.315 0.000 2.710 222 L HA 0.471 4.811 4.340 0.000 0.000 0.260 222 L C -1.543 175.165 176.870 -0.270 0.000 0.993 222 L CA -0.894 53.682 54.840 -0.440 0.000 0.877 222 L CB 1.694 43.250 42.059 -0.839 0.000 1.461 222 L HN -0.276 nan 8.230 nan 0.000 0.413 223 I N 1.403 121.839 120.570 -0.224 0.000 2.405 223 I HA 0.400 4.570 4.170 0.000 0.000 0.280 223 I C -0.336 175.689 176.117 -0.153 0.000 1.027 223 I CA -0.312 60.908 61.300 -0.134 0.000 1.161 223 I CB 1.627 39.608 38.000 -0.031 0.000 1.300 223 I HN 0.792 nan 8.210 nan 0.000 0.463 224 E N 5.735 125.830 120.200 -0.175 0.000 2.223 224 E HA 0.059 4.409 4.350 0.000 0.000 0.282 224 E C 0.056 176.588 176.600 -0.114 0.000 1.046 224 E CA -0.417 55.889 56.400 -0.158 0.000 0.857 224 E CB 0.601 30.198 29.700 -0.172 0.000 1.055 224 E HN 0.447 nan 8.360 nan 0.000 0.409 225 Q N 3.928 123.682 119.800 -0.076 0.000 2.426 225 Q HA -0.184 4.156 4.340 0.000 0.000 0.359 225 Q C -1.998 173.953 176.000 -0.082 0.000 1.381 225 Q CA 0.557 56.325 55.803 -0.058 0.000 1.060 225 Q CB -0.251 28.457 28.738 -0.050 0.000 1.253 225 Q HN 0.503 nan 8.270 nan 0.000 0.363 226 P HA -0.138 nan 4.420 nan 0.000 0.214 226 P C 0.863 178.198 177.300 0.057 0.000 1.163 226 P CA 1.868 64.961 63.100 -0.011 0.000 0.883 226 P CB -0.198 31.621 31.700 0.197 0.000 0.788 227 I N -4.171 116.449 120.570 0.083 0.000 3.100 227 I HA 0.546 4.716 4.170 0.000 0.000 0.312 227 I C 0.309 176.432 176.117 0.010 0.000 1.063 227 I CA -1.289 60.060 61.300 0.082 0.000 1.031 227 I CB 1.734 39.797 38.000 0.104 0.000 1.243 227 I HN -0.236 nan 8.210 nan 0.000 0.483 228 S N 0.839 116.537 115.700 -0.002 0.000 2.572 228 S HA 0.137 4.607 4.470 0.000 0.000 0.279 228 S C 1.301 175.887 174.600 -0.022 0.000 1.341 228 S CA -0.344 57.834 58.200 -0.036 0.000 1.043 228 S CB 0.609 63.782 63.200 -0.045 0.000 0.887 228 S HN 0.836 nan 8.310 nan 0.000 0.516 229 R N 3.259 123.739 120.500 -0.032 0.000 2.293 229 R HA -0.055 4.285 4.340 0.000 0.000 0.219 229 R C 1.702 177.993 176.300 -0.014 0.000 1.091 229 R CA 1.804 57.891 56.100 -0.021 0.000 1.004 229 R CB -0.949 29.337 30.300 -0.023 0.000 0.865 229 R HN 0.831 nan 8.270 nan 0.000 0.469 230 I N -1.659 118.901 120.570 -0.017 0.000 2.928 230 I HA 0.058 4.228 4.170 0.000 0.000 0.266 230 I C 0.411 176.525 176.117 -0.004 0.000 1.234 230 I CA 0.297 61.590 61.300 -0.012 0.000 1.483 230 I CB -0.193 37.797 38.000 -0.017 0.000 1.097 230 I HN -0.033 nan 8.210 nan 0.000 0.455 231 N N 1.838 120.538 118.700 -0.000 0.000 2.817 231 N HA 0.136 4.876 4.740 0.000 0.000 0.234 231 N C 0.767 176.283 175.510 0.010 0.000 1.066 231 N CA -0.279 52.775 53.050 0.007 0.000 0.926 231 N CB 0.766 39.261 38.487 0.014 0.000 1.176 231 N HN 0.127 nan 8.380 nan 0.000 0.506 232 R N 2.564 123.069 120.500 0.008 0.000 2.062 232 R HA 0.164 4.504 4.340 0.000 0.000 0.229 232 R C 1.804 178.113 176.300 0.013 0.000 1.128 232 R CA 1.849 57.956 56.100 0.011 0.000 0.960 232 R CB -0.888 29.418 30.300 0.010 0.000 0.855 232 R HN 0.545 nan 8.270 nan 0.000 0.432 233 G N -0.954 107.852 108.800 0.011 0.000 2.432 233 G HA2 -0.182 3.778 3.960 0.000 0.000 0.219 233 G HA3 -0.182 3.778 3.960 0.000 0.000 0.219 233 G C 1.471 176.378 174.900 0.013 0.000 1.135 233 G CA 0.710 45.816 45.100 0.010 0.000 0.767 233 G HN 0.517 nan 8.290 nan 0.000 0.550 234 G N 0.013 108.822 108.800 0.016 0.000 2.421 234 G HA2 -0.102 3.858 3.960 0.000 0.000 0.217 234 G HA3 -0.102 3.858 3.960 0.000 0.000 0.217 234 G C 1.756 176.671 174.900 0.025 0.000 1.143 234 G CA 0.878 45.990 45.100 0.020 0.000 0.784 234 G HN 0.507 nan 8.290 nan 0.000 0.541 235 Q N -0.210 119.606 119.800 0.025 0.000 2.046 235 Q HA -0.022 4.318 4.340 0.000 0.000 0.200 235 Q C 2.836 178.852 176.000 0.025 0.000 0.975 235 Q CA 1.197 57.018 55.803 0.029 0.000 0.836 235 Q CB -0.186 28.570 28.738 0.031 0.000 0.896 235 Q HN 0.357 nan 8.270 nan 0.000 0.428 236 V N 0.927 120.854 119.914 0.021 0.000 2.343 236 V HA -0.290 3.830 4.120 0.000 0.000 0.247 236 V C 2.192 178.292 176.094 0.011 0.000 1.051 236 V CA 1.870 64.178 62.300 0.015 0.000 1.036 236 V CB -0.489 31.340 31.823 0.010 0.000 0.654 236 V HN 0.272 nan 8.190 nan 0.000 0.451 237 R N -0.438 120.069 120.500 0.011 0.000 2.070 237 R HA -0.073 4.267 4.340 0.000 0.000 0.233 237 R C 2.293 178.599 176.300 0.009 0.000 1.137 237 R CA 1.491 57.596 56.100 0.008 0.000 0.945 237 R CB -0.411 29.894 30.300 0.008 0.000 0.845 237 R HN 0.403 nan 8.270 nan 0.000 0.430 238 L N 0.499 121.732 121.223 0.016 0.000 2.191 238 L HA -0.156 4.184 4.340 0.000 0.000 0.212 238 L C 1.961 178.838 176.870 0.011 0.000 1.103 238 L CA 0.925 55.776 54.840 0.018 0.000 0.769 238 L CB -0.391 41.688 42.059 0.034 0.000 0.908 238 L HN 0.239 nan 8.230 nan 0.000 0.438 239 N N -0.752 117.955 118.700 0.010 0.000 2.459 239 N HA -0.182 4.558 4.740 0.000 0.000 0.181 239 N C 1.882 177.391 175.510 -0.000 0.000 1.046 239 N CA 0.773 53.825 53.050 0.003 0.000 0.904 239 N CB 0.187 38.678 38.487 0.007 0.000 0.964 239 N HN 0.227 nan 8.380 nan 0.000 0.444 240 Q N -0.200 119.601 119.800 0.001 0.000 2.349 240 Q HA 0.076 4.416 4.340 0.000 0.000 0.209 240 Q C 1.586 177.586 176.000 -0.000 0.000 0.920 240 Q CA 0.579 56.381 55.803 -0.000 0.000 0.901 240 Q CB 0.401 29.139 28.738 -0.000 0.000 1.021 240 Q HN 0.604 nan 8.270 nan 0.000 0.519 241 R N -0.932 119.569 120.500 0.001 0.000 2.254 241 R HA 0.184 4.524 4.340 0.000 0.000 0.193 241 R C 0.263 176.563 176.300 -0.001 0.000 0.929 241 R CA 0.184 56.283 56.100 -0.001 0.000 1.038 241 R CB -0.166 30.133 30.300 -0.002 0.000 1.009 241 R HN -0.163 nan 8.270 nan 0.000 0.512 242 T N 3.781 118.336 114.554 0.001 0.000 2.853 242 T HA 0.098 4.448 4.350 0.000 0.000 0.298 242 T C -1.917 172.782 174.700 -0.002 0.000 0.978 242 T CA -1.157 60.944 62.100 0.001 0.000 1.152 242 T CB 1.438 70.308 68.868 0.003 0.000 0.914 242 T HN 0.081 nan 8.240 nan 0.000 0.539 243 P HA 0.085 nan 4.420 nan 0.000 0.220 243 P C 0.116 177.414 177.300 -0.002 0.000 1.148 243 P CA 0.504 63.604 63.100 0.001 0.000 0.803 243 P CB 0.218 31.919 31.700 0.002 0.000 0.782 244 A N 0.514 123.326 122.820 -0.013 0.000 2.317 244 A HA 0.573 4.893 4.320 0.000 0.000 0.327 244 A C -2.501 175.042 177.584 -0.068 0.000 1.178 244 A CA -2.111 49.902 52.037 -0.040 0.000 0.817 244 A CB 0.261 19.234 19.000 -0.045 0.000 1.189 244 A HN -0.074 nan 8.150 nan 0.000 0.489 245 P HA 0.084 nan 4.420 nan 0.000 0.266 245 P C -0.630 176.569 177.300 -0.169 0.000 1.195 245 P CA 0.155 63.175 63.100 -0.133 0.000 0.768 245 P CB 0.437 32.034 31.700 -0.173 0.000 0.838 246 I N 3.874 124.380 120.570 -0.107 0.000 2.331 246 I HA 0.349 4.519 4.170 0.000 0.000 0.292 246 I C 0.706 176.770 176.117 -0.089 0.000 0.998 246 I CA -0.676 60.574 61.300 -0.082 0.000 1.267 246 I CB 0.418 38.405 38.000 -0.022 0.000 1.386 246 I HN 0.383 nan 8.210 nan 0.000 0.476 247 M N 5.587 125.119 119.600 -0.113 0.000 2.294 247 M HA 0.654 5.135 4.480 0.000 0.000 0.335 247 M C -0.721 175.582 176.300 0.005 0.000 1.079 247 M CA -0.661 54.595 55.300 -0.074 0.000 0.982 247 M CB 1.758 34.232 32.600 -0.209 0.000 1.651 247 M HN 0.664 nan 8.290 nan 0.000 0.437 248 A N 3.367 126.258 122.820 0.118 0.000 2.289 248 A HA 0.420 4.740 4.320 0.000 0.000 0.298 248 A C -0.428 177.164 177.584 0.013 0.000 1.208 248 A CA -0.426 51.648 52.037 0.062 0.000 0.845 248 A CB 0.615 19.657 19.000 0.069 0.000 1.125 248 A HN 0.947 nan 8.150 nan 0.000 0.517 249 D N 1.117 121.511 120.400 -0.010 0.000 3.106 249 D HA 0.023 4.663 4.640 0.000 0.000 0.216 249 D C 1.247 177.540 176.300 -0.011 0.000 1.540 249 D CA 0.398 54.402 54.000 0.006 0.000 1.389 249 D CB -0.132 40.693 40.800 0.041 0.000 1.080 249 D HN 0.385 nan 8.370 nan 0.000 0.270 250 E N 0.329 120.529 120.200 -0.001 0.000 2.209 250 E HA -0.049 4.301 4.350 0.000 0.000 0.196 250 E C 2.007 178.597 176.600 -0.016 0.000 0.993 250 E CA 0.840 57.239 56.400 -0.000 0.000 0.819 250 E CB -0.205 29.479 29.700 -0.027 0.000 0.745 250 E HN 0.083 nan 8.360 nan 0.000 0.477 251 S N -0.213 115.464 115.700 -0.039 0.000 2.419 251 S HA -0.027 4.443 4.470 0.000 0.000 0.233 251 S C 0.755 175.309 174.600 -0.077 0.000 1.016 251 S CA 0.477 58.646 58.200 -0.050 0.000 0.974 251 S CB -0.071 63.096 63.200 -0.055 0.000 0.786 251 S HN 0.185 nan 8.310 nan 0.000 0.492 252 I N 1.849 122.352 120.570 -0.112 0.000 2.301 252 I HA 0.162 4.332 4.170 0.000 0.000 0.292 252 I C 0.599 176.692 176.117 -0.040 0.000 1.046 252 I CA 0.124 61.343 61.300 -0.135 0.000 1.282 252 I CB 0.913 38.771 38.000 -0.237 0.000 1.409 252 I HN 0.137 nan 8.210 nan 0.000 0.484 253 E N 4.471 124.671 120.200 0.001 0.000 2.660 253 E HA 0.156 4.506 4.350 0.000 0.000 0.216 253 E C -0.315 176.328 176.600 0.071 0.000 0.986 253 E CA -0.087 56.357 56.400 0.073 0.000 1.037 253 E CB 0.838 30.614 29.700 0.126 0.000 1.041 253 E HN 0.728 nan 8.360 nan 0.000 0.480 254 S N -2.047 113.666 115.700 0.022 0.000 2.645 254 S HA 0.103 4.573 4.470 0.000 0.000 0.268 254 S C 0.606 175.214 174.600 0.012 0.000 1.110 254 S CA -0.684 57.532 58.200 0.027 0.000 0.823 254 S CB 0.966 64.191 63.200 0.042 0.000 1.091 254 S HN -0.160 nan 8.310 nan 0.000 0.466 255 V N 1.489 121.420 119.914 0.028 0.000 2.343 255 V HA -0.113 4.007 4.120 0.000 0.000 0.247 255 V C 2.457 178.599 176.094 0.080 0.000 1.051 255 V CA 2.554 64.884 62.300 0.049 0.000 1.036 255 V CB -1.265 30.588 31.823 0.050 0.000 0.654 255 V HN 0.915 nan 8.190 nan 0.000 0.451 256 E N 0.016 120.256 120.200 0.067 0.000 2.204 256 E HA -0.177 4.173 4.350 0.000 0.000 0.194 256 E C 1.869 178.546 176.600 0.128 0.000 0.989 256 E CA 1.103 57.562 56.400 0.099 0.000 0.824 256 E CB -0.309 29.421 29.700 0.050 0.000 0.756 256 E HN 0.540 nan 8.360 nan 0.000 0.477 257 D N -0.025 120.411 120.400 0.059 0.000 2.144 257 D HA -0.056 4.584 4.640 0.000 0.000 0.200 257 D C 1.836 178.124 176.300 -0.020 0.000 0.978 257 D CA 1.298 55.309 54.000 0.017 0.000 0.833 257 D CB -0.238 40.546 40.800 -0.026 0.000 0.961 257 D HN 0.203 nan 8.370 nan 0.000 0.470 258 A N 0.158 122.954 122.820 -0.039 0.000 1.902 258 A HA -0.170 4.150 4.320 0.000 0.000 0.217 258 A C 2.124 179.818 177.584 0.183 0.000 1.181 258 A CA 1.015 52.995 52.037 -0.094 0.000 0.623 258 A CB -0.983 18.012 19.000 -0.008 0.000 0.818 258 A HN 0.280 nan 8.150 nan 0.000 0.443 259 F N 0.712 120.717 119.950 0.091 0.000 2.102 259 F HA -0.134 4.393 4.527 0.000 0.000 0.298 259 F C 2.724 178.585 175.800 0.101 0.000 1.105 259 F CA 1.799 59.865 58.000 0.110 0.000 1.239 259 F CB -0.560 38.480 39.000 0.068 0.000 0.991 259 F HN 0.230 nan 8.300 nan 0.000 0.474 260 S N 0.511 116.309 115.700 0.164 0.000 2.359 260 S HA -0.244 4.226 4.470 0.000 0.000 0.223 260 S C 2.140 176.732 174.600 -0.013 0.000 1.039 260 S CA 2.041 60.281 58.200 0.066 0.000 1.042 260 S CB -0.695 62.565 63.200 0.100 0.000 0.915 260 S HN 0.437 nan 8.310 nan 0.000 0.439 261 L N 0.979 122.226 121.223 0.041 0.000 2.017 261 L HA -0.078 4.262 4.340 0.000 0.000 0.208 261 L C 2.919 179.882 176.870 0.155 0.000 1.073 261 L CA 1.358 56.264 54.840 0.109 0.000 0.745 261 L CB -0.671 41.460 42.059 0.119 0.000 0.894 261 L HN 0.418 nan 8.230 nan 0.000 0.432 262 A N -0.088 122.847 122.820 0.192 0.000 1.902 262 A HA -0.160 4.160 4.320 0.000 0.000 0.217 262 A C 2.522 180.009 177.584 -0.162 0.000 1.181 262 A CA 1.677 53.722 52.037 0.013 0.000 0.623 262 A CB -0.808 18.184 19.000 -0.012 0.000 0.818 262 A HN 0.392 nan 8.150 nan 0.000 0.443 263 A N -0.365 122.252 122.820 -0.339 0.000 1.972 263 A HA -0.173 4.147 4.320 0.000 0.000 0.219 263 A C 1.691 179.189 177.584 -0.143 0.000 1.169 263 A CA 1.959 53.792 52.037 -0.339 0.000 0.635 263 A CB -0.447 18.259 19.000 -0.490 0.000 0.810 263 A HN 0.445 nan 8.150 nan 0.000 0.446 264 D N -1.420 118.929 120.400 -0.085 0.000 2.289 264 D HA 0.216 4.856 4.640 0.000 0.000 0.207 264 D C 1.328 177.615 176.300 -0.021 0.000 0.966 264 D CA 1.237 55.217 54.000 -0.033 0.000 0.868 264 D CB -0.100 40.696 40.800 -0.006 0.000 0.943 264 D HN 0.592 nan 8.370 nan 0.000 0.514 265 G N 0.500 109.288 108.800 -0.020 0.000 2.248 265 G HA2 -0.207 3.754 3.960 0.000 0.000 0.263 265 G HA3 -0.207 3.754 3.960 0.000 0.000 0.263 265 G C 0.899 175.806 174.900 0.011 0.000 1.082 265 G CA 0.448 45.537 45.100 -0.018 0.000 0.863 265 G HN 0.447 nan 8.290 nan 0.000 0.495 266 A N -1.252 121.597 122.820 0.049 0.000 2.218 266 A HA 0.814 5.134 4.320 0.000 0.000 0.209 266 A C 1.302 178.942 177.584 0.092 0.000 1.168 266 A CA 1.571 53.648 52.037 0.067 0.000 0.804 266 A CB 0.218 19.265 19.000 0.077 0.000 0.834 266 A HN 2.406 nan 8.150 nan 0.000 0.482 267 A N -1.031 121.850 122.820 0.102 0.000 2.565 267 A HA 0.520 4.840 4.320 0.000 0.000 0.298 267 A C 0.433 177.994 177.584 -0.038 0.000 1.062 267 A CA 0.284 52.374 52.037 0.088 0.000 0.723 267 A CB -0.021 19.127 19.000 0.248 0.000 1.282 267 A HN 0.773 nan 8.150 nan 0.000 0.400 268 S N 0.526 116.195 115.700 -0.052 0.000 2.575 268 S HA 0.437 4.907 4.470 0.000 0.000 0.215 268 S C 0.335 174.886 174.600 -0.081 0.000 0.966 268 S CA 0.454 58.605 58.200 -0.081 0.000 0.911 268 S CB -0.617 62.568 63.200 -0.024 0.000 0.780 268 S HN 0.617 nan 8.310 nan 0.000 0.514 269 I N 1.026 121.559 120.570 -0.063 0.000 2.619 269 I HA 0.494 4.664 4.170 0.000 0.000 0.292 269 I C -1.452 174.782 176.117 0.194 0.000 1.100 269 I CA -0.860 60.447 61.300 0.011 0.000 1.043 269 I CB 2.009 39.968 38.000 -0.069 0.000 1.239 269 I HN -0.044 nan 8.210 nan 0.000 0.420 270 F N 3.417 123.400 119.950 0.056 0.000 2.482 270 F HA 0.683 5.210 4.527 0.000 0.000 0.331 270 F C 0.511 176.368 175.800 0.094 0.000 1.115 270 F CA -1.463 56.569 58.000 0.054 0.000 0.955 270 F CB 2.009 41.042 39.000 0.055 0.000 1.136 270 F HN 0.457 nan 8.300 nan 0.000 0.452 271 A N 4.912 127.897 122.820 0.276 0.000 2.354 271 A HA 0.677 4.997 4.320 0.000 0.000 0.269 271 A C -0.710 176.974 177.584 0.167 0.000 1.109 271 A CA -0.439 51.767 52.037 0.281 0.000 0.800 271 A CB 0.256 19.414 19.000 0.263 0.000 1.045 271 A HN 0.728 nan 8.150 nan 0.000 0.489 272 L N 2.859 124.138 121.223 0.094 0.000 2.294 272 L HA 0.402 4.742 4.340 0.000 0.000 0.283 272 L C -0.084 176.892 176.870 0.178 0.000 1.015 272 L CA -0.073 54.828 54.840 0.103 0.000 0.831 272 L CB 1.117 43.217 42.059 0.068 0.000 1.217 272 L HN 0.660 nan 8.230 nan 0.000 0.420 273 K N 3.839 124.311 120.400 0.120 0.000 2.413 273 K HA 0.341 4.661 4.320 0.000 0.000 0.257 273 K C 1.058 177.649 176.600 -0.015 0.000 0.946 273 K CA -0.527 55.799 56.287 0.065 0.000 0.823 273 K CB 2.609 35.101 32.500 -0.013 0.000 1.109 273 K HN 0.579 nan 8.250 nan 0.000 0.427 274 I N -0.064 120.482 120.570 -0.041 0.000 2.286 274 I HA -0.199 3.971 4.170 0.000 0.000 0.248 274 I C 1.919 177.909 176.117 -0.212 0.000 1.115 274 I CA 1.420 62.658 61.300 -0.103 0.000 1.392 274 I CB -0.229 37.695 38.000 -0.127 0.000 1.065 274 I HN 0.550 nan 8.210 nan 0.000 0.418 275 A N 1.921 124.530 122.820 -0.353 0.000 1.908 275 A HA -0.148 4.173 4.320 0.000 0.000 0.218 275 A C 2.228 179.281 177.584 -0.885 0.000 1.181 275 A CA 1.630 53.199 52.037 -0.779 0.000 0.627 275 A CB -0.440 17.887 19.000 -1.121 0.000 0.818 275 A HN 0.404 nan 8.150 nan 0.000 0.445 276 K N -0.420 119.674 120.400 -0.510 0.000 2.418 276 K HA 0.045 4.365 4.320 0.000 0.000 0.195 276 K C 0.730 177.266 176.600 -0.107 0.000 1.035 276 K CA 1.067 57.208 56.287 -0.243 0.000 1.003 276 K CB -0.317 32.123 32.500 -0.101 0.000 0.793 276 K HN 0.621 nan 8.250 nan 0.000 0.494 277 N N -0.848 117.783 118.700 -0.114 0.000 2.460 277 N HA 0.045 4.785 4.740 0.000 0.000 0.193 277 N C 0.688 176.178 175.510 -0.033 0.000 1.080 277 N CA 0.787 53.811 53.050 -0.043 0.000 0.869 277 N CB 1.237 39.713 38.487 -0.017 0.000 1.201 277 N HN 0.237 nan 8.380 nan 0.000 0.457 278 G N -0.787 107.971 108.800 -0.070 0.000 2.174 278 G HA2 0.298 4.259 3.960 0.000 0.000 0.140 278 G HA3 0.298 4.259 3.960 0.000 0.000 0.140 278 G C 0.239 175.112 174.900 -0.044 0.000 1.031 278 G CA -0.215 44.861 45.100 -0.040 0.000 0.728 278 G HN 0.692 nan 8.290 nan 0.000 0.496 279 G N -1.194 107.565 108.800 -0.068 0.000 2.354 279 G HA2 0.404 4.364 3.960 0.000 0.000 0.582 279 G HA3 0.404 4.364 3.960 0.000 0.000 0.582 279 G C -1.623 173.242 174.900 -0.058 0.000 1.316 279 G CA 0.215 45.277 45.100 -0.063 0.000 0.995 279 G HN 0.264 nan 8.290 nan 0.000 0.573 280 P HA -0.045 nan 4.420 nan 0.000 0.215 280 P C 1.920 179.205 177.300 -0.025 0.000 1.153 280 P CA 1.483 64.542 63.100 -0.069 0.000 0.853 280 P CB 0.010 31.660 31.700 -0.083 0.000 0.788 281 R N -0.495 119.995 120.500 -0.017 0.000 2.090 281 R HA 0.035 4.375 4.340 0.000 0.000 0.228 281 R C 2.348 178.657 176.300 0.015 0.000 1.110 281 R CA 1.370 57.471 56.100 0.002 0.000 0.973 281 R CB -1.030 29.269 30.300 -0.002 0.000 0.869 281 R HN 0.131 nan 8.270 nan 0.000 0.440 282 A N 0.572 123.396 122.820 0.008 0.000 1.930 282 A HA -0.104 4.216 4.320 0.000 0.000 0.217 282 A C 2.268 179.873 177.584 0.035 0.000 1.175 282 A CA 1.193 53.240 52.037 0.017 0.000 0.627 282 A CB -0.593 18.409 19.000 0.002 0.000 0.815 282 A HN 0.183 nan 8.150 nan 0.000 0.443 283 V N 0.021 119.957 119.914 0.038 0.000 2.515 283 V HA -0.159 3.961 4.120 0.000 0.000 0.250 283 V C 2.316 178.481 176.094 0.118 0.000 1.058 283 V CA 1.758 64.109 62.300 0.085 0.000 1.064 283 V CB -0.363 31.529 31.823 0.115 0.000 0.675 283 V HN 0.592 nan 8.190 nan 0.000 0.461 284 L N -0.936 120.343 121.223 0.093 0.000 2.217 284 L HA -0.077 4.263 4.340 0.000 0.000 0.211 284 L C 2.674 179.599 176.870 0.091 0.000 1.107 284 L CA 1.186 56.086 54.840 0.100 0.000 0.783 284 L CB -0.530 41.574 42.059 0.074 0.000 0.919 284 L HN 0.222 nan 8.230 nan 0.000 0.442 285 R N -0.527 120.019 120.500 0.076 0.000 2.081 285 R HA -0.128 4.212 4.340 0.000 0.000 0.235 285 R C 2.307 178.672 176.300 0.107 0.000 1.131 285 R CA 1.881 58.027 56.100 0.076 0.000 0.960 285 R CB -0.277 30.057 30.300 0.057 0.000 0.856 285 R HN 0.241 nan 8.270 nan 0.000 0.436 286 T N 0.374 114.996 114.554 0.114 0.000 2.777 286 T HA -0.102 4.248 4.350 0.000 0.000 0.266 286 T C 1.766 176.587 174.700 0.201 0.000 1.040 286 T CA 1.318 63.509 62.100 0.151 0.000 1.141 286 T CB -0.167 68.769 68.868 0.113 0.000 0.868 286 T HN 0.379 nan 8.240 nan 0.000 0.444 287 A N 1.208 124.130 122.820 0.170 0.000 1.933 287 A HA -0.158 4.162 4.320 0.000 0.000 0.218 287 A C 2.238 179.899 177.584 0.129 0.000 1.175 287 A CA 1.511 53.644 52.037 0.161 0.000 0.628 287 A CB -0.603 18.484 19.000 0.144 0.000 0.814 287 A HN 0.543 nan 8.150 nan 0.000 0.444 288 Q N -0.706 119.164 119.800 0.116 0.000 2.124 288 Q HA -0.090 4.250 4.340 0.000 0.000 0.202 288 Q C 1.960 178.024 176.000 0.107 0.000 0.977 288 Q CA 1.473 57.333 55.803 0.095 0.000 0.850 288 Q CB -0.279 28.509 28.738 0.083 0.000 0.901 288 Q HN 0.740 nan 8.270 nan 0.000 0.429 289 I N 0.326 120.984 120.570 0.147 0.000 2.252 289 I HA -0.259 3.911 4.170 0.000 0.000 0.245 289 I C 2.327 178.526 176.117 0.136 0.000 1.102 289 I CA 0.893 62.302 61.300 0.181 0.000 1.385 289 I CB -0.256 37.902 38.000 0.264 0.000 1.064 289 I HN 0.166 nan 8.210 nan 0.000 0.414 290 A N 0.073 122.978 122.820 0.142 0.000 1.902 290 A HA -0.200 4.120 4.320 0.000 0.000 0.217 290 A C 2.261 179.826 177.584 -0.032 0.000 1.181 290 A CA 1.434 53.469 52.037 -0.003 0.000 0.623 290 A CB -0.475 18.547 19.000 0.036 0.000 0.818 290 A HN 0.343 nan 8.150 nan 0.000 0.443 291 E N -0.234 119.979 120.200 0.022 0.000 2.110 291 E HA -0.158 4.192 4.350 0.000 0.000 0.193 291 E C 2.296 178.900 176.600 0.007 0.000 0.988 291 E CA 1.129 57.535 56.400 0.010 0.000 0.804 291 E CB -0.309 29.408 29.700 0.029 0.000 0.745 291 E HN 0.589 nan 8.360 nan 0.000 0.458 292 A N 1.025 123.861 122.820 0.027 0.000 1.969 292 A HA -0.000 4.320 4.320 0.000 0.000 0.218 292 A C 2.256 179.844 177.584 0.008 0.000 1.169 292 A CA 1.568 53.623 52.037 0.031 0.000 0.635 292 A CB -0.186 18.853 19.000 0.065 0.000 0.810 292 A HN 0.244 nan 8.150 nan 0.000 0.445 293 A N -2.099 120.710 122.820 -0.018 0.000 2.132 293 A HA 0.422 4.742 4.320 0.000 0.000 0.213 293 A C 1.751 179.291 177.584 -0.073 0.000 1.154 293 A CA 1.234 53.237 52.037 -0.057 0.000 0.753 293 A CB -0.594 18.345 19.000 -0.101 0.000 0.826 293 A HN 1.844 nan 8.150 nan 0.000 0.469 294 G N -0.897 107.862 108.800 -0.068 0.000 2.130 294 G HA2 -0.184 3.776 3.960 0.000 0.000 0.216 294 G HA3 -0.184 3.776 3.960 0.000 0.000 0.216 294 G C 0.020 174.863 174.900 -0.094 0.000 0.999 294 G CA 0.128 45.190 45.100 -0.063 0.000 0.686 294 G HN 0.409 nan 8.290 nan 0.000 0.515 295 I N 1.487 121.960 120.570 -0.162 0.000 2.428 295 I HA 0.486 4.656 4.170 0.000 0.000 0.289 295 I C 1.428 177.460 176.117 -0.140 0.000 1.019 295 I CA -0.019 61.129 61.300 -0.253 0.000 1.351 295 I CB 1.238 38.867 38.000 -0.618 0.000 1.412 295 I HN 0.157 nan 8.210 nan 0.000 0.513 296 G N 6.409 115.183 108.800 -0.043 0.000 2.503 296 G HA2 0.426 4.386 3.960 0.000 0.000 0.257 296 G HA3 0.426 4.386 3.960 0.000 0.000 0.257 296 G C -0.469 174.513 174.900 0.136 0.000 1.214 296 G CA -0.474 44.678 45.100 0.087 0.000 0.839 296 G HN 0.256 nan 8.290 nan 0.000 0.559 297 L N 0.502 121.817 121.223 0.153 0.000 2.334 297 L HA 0.605 4.945 4.340 0.000 0.000 0.270 297 L C -0.724 176.303 176.870 0.261 0.000 1.018 297 L CA -1.057 53.883 54.840 0.166 0.000 0.811 297 L CB 1.553 43.651 42.059 0.064 0.000 1.271 297 L HN 0.618 nan 8.230 nan 0.000 0.443 298 Y N -0.545 119.758 120.300 0.004 0.000 2.442 298 Y HA 0.575 5.125 4.550 0.000 0.000 0.330 298 Y C 0.133 175.871 175.900 -0.271 0.000 1.100 298 Y CA -0.968 57.107 58.100 -0.042 0.000 1.034 298 Y CB 1.938 40.437 38.460 0.065 0.000 1.285 298 Y HN 0.614 nan 8.280 nan 0.000 0.440 299 G N 3.364 111.636 108.800 -0.879 0.000 2.394 299 G HA2 0.459 4.419 3.960 0.000 0.000 0.298 299 G HA3 0.459 4.419 3.960 0.000 0.000 0.298 299 G C 0.159 174.623 174.900 -0.727 0.000 1.087 299 G CA 0.128 44.477 45.100 -1.251 0.000 1.035 299 G HN 0.963 nan 8.290 nan 0.000 0.420 300 G N 0.324 108.949 108.800 -0.291 0.000 2.522 300 G HA2 0.616 4.576 3.960 0.000 0.000 0.304 300 G HA3 0.616 4.576 3.960 0.000 0.000 0.304 300 G C -0.473 174.430 174.900 0.006 0.000 1.210 300 G CA -0.275 44.773 45.100 -0.086 0.000 0.960 300 G HN 0.722 nan 8.290 nan 0.000 0.497 301 T N -0.777 113.751 114.554 -0.043 0.000 2.868 301 T HA 0.445 4.795 4.350 0.000 0.000 0.306 301 T C -0.003 174.650 174.700 -0.078 0.000 1.224 301 T CA -0.661 61.386 62.100 -0.088 0.000 1.012 301 T CB 1.479 70.209 68.868 -0.230 0.000 1.221 301 T HN 0.189 nan 8.240 nan 0.000 0.499 302 M N 3.248 122.806 119.600 -0.070 0.000 2.576 302 M HA 0.412 4.892 4.480 0.000 0.000 0.322 302 M C 0.290 176.542 176.300 -0.079 0.000 1.184 302 M CA 0.150 55.434 55.300 -0.026 0.000 0.967 302 M CB -0.900 31.750 32.600 0.083 0.000 1.372 302 M HN 0.703 nan 8.290 nan 0.000 0.509 303 L N 0.281 121.415 121.223 -0.149 0.000 3.600 303 L HA -0.240 4.100 4.340 0.000 0.000 0.424 303 L C -0.202 176.621 176.870 -0.079 0.000 1.260 303 L CA 0.067 54.814 54.840 -0.156 0.000 0.883 303 L CB -1.930 40.056 42.059 -0.121 0.000 1.895 303 L HN 0.268 nan 8.230 nan 0.000 0.827 304 E N 0.314 120.475 120.200 -0.066 0.000 2.409 304 E HA 0.437 4.787 4.350 0.000 0.000 0.257 304 E C 1.017 177.613 176.600 -0.006 0.000 1.150 304 E CA 0.775 57.158 56.400 -0.027 0.000 0.942 304 E CB 0.435 30.117 29.700 -0.030 0.000 0.979 304 E HN 0.280 nan 8.360 nan 0.000 0.447 305 G N -0.380 108.424 108.800 0.006 0.000 2.510 305 G HA2 0.071 4.031 3.960 0.000 0.000 0.280 305 G HA3 0.071 4.031 3.960 0.000 0.000 0.280 305 G C 0.771 175.692 174.900 0.035 0.000 1.386 305 G CA -0.339 44.776 45.100 0.025 0.000 1.047 305 G HN 0.429 nan 8.290 nan 0.000 0.527 306 S N -0.916 114.813 115.700 0.048 0.000 2.387 306 S HA -0.138 4.332 4.470 0.000 0.000 0.230 306 S C 2.385 176.998 174.600 0.022 0.000 1.035 306 S CA 1.123 59.350 58.200 0.045 0.000 1.014 306 S CB -0.401 62.827 63.200 0.047 0.000 0.836 306 S HN 0.429 nan 8.310 nan 0.000 0.466 307 I N 0.737 121.315 120.570 0.013 0.000 2.142 307 I HA -0.141 4.029 4.170 0.000 0.000 0.240 307 I C 2.688 178.795 176.117 -0.016 0.000 1.078 307 I CA 1.334 62.633 61.300 -0.001 0.000 1.343 307 I CB -0.844 37.155 38.000 -0.001 0.000 1.046 307 I HN 0.366 nan 8.210 nan 0.000 0.405 308 G N -0.066 108.723 108.800 -0.018 0.000 2.403 308 G HA2 -0.172 3.788 3.960 0.000 0.000 0.216 308 G HA3 -0.172 3.788 3.960 0.000 0.000 0.216 308 G C 1.656 176.522 174.900 -0.056 0.000 1.154 308 G CA 1.145 46.220 45.100 -0.040 0.000 0.784 308 G HN 0.274 nan 8.290 nan 0.000 0.538 309 T N 1.555 116.092 114.554 -0.028 0.000 2.746 309 T HA -0.028 4.322 4.350 0.000 0.000 0.267 309 T C 2.250 176.922 174.700 -0.047 0.000 1.039 309 T CA 0.530 62.616 62.100 -0.024 0.000 1.142 309 T CB -0.118 68.770 68.868 0.034 0.000 0.866 309 T HN -0.012 nan 8.240 nan 0.000 0.444 310 L N 0.909 122.122 121.223 -0.017 0.000 2.141 310 L HA 0.086 4.426 4.340 0.000 0.000 0.209 310 L C 2.858 179.756 176.870 0.047 0.000 1.094 310 L CA 1.433 56.290 54.840 0.027 0.000 0.763 310 L CB -1.565 40.536 42.059 0.071 0.000 0.908 310 L HN 0.252 nan 8.230 nan 0.000 0.437 311 A N -1.004 121.792 122.820 -0.040 0.000 1.898 311 A HA -0.161 4.159 4.320 0.000 0.000 0.216 311 A C 2.552 180.017 177.584 -0.198 0.000 1.181 311 A CA 1.867 53.850 52.037 -0.090 0.000 0.620 311 A CB -0.443 18.497 19.000 -0.100 0.000 0.819 311 A HN 0.419 nan 8.150 nan 0.000 0.442 312 S N -0.122 115.397 115.700 -0.302 0.000 2.338 312 S HA -0.027 4.443 4.470 0.000 0.000 0.218 312 S C 2.398 176.417 174.600 -0.968 0.000 1.032 312 S CA 1.220 59.000 58.200 -0.700 0.000 0.999 312 S CB -0.613 62.267 63.200 -0.534 0.000 0.905 312 S HN 0.814 nan 8.310 nan 0.000 0.439 313 A N 1.205 123.742 122.820 -0.471 0.000 1.917 313 A HA -0.239 4.081 4.320 0.000 0.000 0.219 313 A C 1.783 179.231 177.584 -0.227 0.000 1.182 313 A CA 2.163 54.044 52.037 -0.261 0.000 0.633 313 A CB -1.099 17.817 19.000 -0.140 0.000 0.819 313 A HN 0.610 nan 8.150 nan 0.000 0.448 314 H N -0.964 117.985 119.070 -0.201 0.000 2.456 314 H HA 0.088 4.644 4.556 0.000 0.000 0.296 314 H C 2.319 177.573 175.328 -0.123 0.000 1.079 314 H CA 1.423 57.395 56.048 -0.126 0.000 1.322 314 H CB 0.015 29.712 29.762 -0.108 0.000 1.388 314 H HN 0.555 nan 8.280 nan 0.000 0.538 315 A N 0.014 122.761 122.820 -0.122 0.000 1.903 315 A HA -0.052 4.268 4.320 0.000 0.000 0.213 315 A C 1.508 179.125 177.584 0.055 0.000 1.185 315 A CA 0.733 52.719 52.037 -0.084 0.000 0.628 315 A CB -0.450 18.438 19.000 -0.186 0.000 0.830 315 A HN 0.283 nan 8.150 nan 0.000 0.446 316 F N 0.489 120.438 119.950 -0.001 0.000 2.333 316 F HA -0.013 4.514 4.527 0.000 0.000 0.300 316 F C 1.905 177.692 175.800 -0.021 0.000 1.083 316 F CA -0.087 57.905 58.000 -0.013 0.000 1.395 316 F CB -0.927 38.053 39.000 -0.033 0.000 1.056 316 F HN 0.108 nan 8.300 nan 0.000 0.529 317 L N -0.079 121.216 121.223 0.120 0.000 2.201 317 L HA -0.164 4.176 4.340 0.000 0.000 0.212 317 L C 2.429 179.328 176.870 0.048 0.000 1.105 317 L CA 1.838 56.704 54.840 0.044 0.000 0.775 317 L CB -0.930 41.107 42.059 -0.037 0.000 0.913 317 L HN 0.291 nan 8.230 nan 0.000 0.440 318 T N -3.031 111.563 114.554 0.066 0.000 3.067 318 T HA 0.025 4.375 4.350 0.000 0.000 0.261 318 T C 0.801 175.537 174.700 0.061 0.000 1.110 318 T CA -0.299 61.835 62.100 0.056 0.000 1.113 318 T CB -0.123 68.778 68.868 0.056 0.000 0.917 318 T HN -0.121 nan 8.240 nan 0.000 0.499 319 L N 2.900 124.173 121.223 0.083 0.000 2.513 319 L HA 0.319 4.659 4.340 0.000 0.000 0.272 319 L C 1.775 178.667 176.870 0.037 0.000 1.187 319 L CA -0.008 54.873 54.840 0.069 0.000 0.895 319 L CB 0.175 42.283 42.059 0.083 0.000 1.147 319 L HN 0.263 nan 8.230 nan 0.000 0.483 320 R N 2.521 123.036 120.500 0.027 0.000 2.096 320 R HA -0.141 4.199 4.340 0.000 0.000 0.240 320 R C 0.419 176.718 176.300 -0.002 0.000 1.139 320 R CA 1.578 57.685 56.100 0.011 0.000 0.952 320 R CB 0.263 30.567 30.300 0.007 0.000 0.854 320 R HN 0.769 nan 8.270 nan 0.000 0.436 321 Q N -0.851 118.945 119.800 -0.007 0.000 2.391 321 Q HA 0.318 4.658 4.340 0.000 0.000 0.279 321 Q C -1.932 174.049 176.000 -0.032 0.000 1.028 321 Q CA -0.610 55.175 55.803 -0.029 0.000 0.836 321 Q CB 1.897 30.607 28.738 -0.047 0.000 1.414 321 Q HN 0.233 nan 8.270 nan 0.000 0.397 322 L N 3.380 124.572 121.223 -0.051 0.000 2.529 322 L HA 0.286 4.626 4.340 0.000 0.000 0.246 322 L C 0.886 177.706 176.870 -0.083 0.000 1.394 322 L CA -0.154 54.659 54.840 -0.046 0.000 0.906 322 L CB 1.277 43.298 42.059 -0.063 0.000 1.170 322 L HN 0.828 nan 8.230 nan 0.000 0.501 323 T N -0.711 113.739 114.554 -0.174 0.000 2.718 323 T HA -0.258 4.092 4.350 0.000 0.000 0.266 323 T C 0.739 175.044 174.700 -0.658 0.000 1.033 323 T CA 2.266 64.079 62.100 -0.479 0.000 1.151 323 T CB -0.226 68.247 68.868 -0.659 0.000 0.853 323 T HN 0.564 nan 8.240 nan 0.000 0.466 324 W N 1.156 122.499 121.300 0.071 0.000 3.102 324 W HA 0.517 5.177 4.660 0.000 0.000 0.401 324 W C 1.432 178.097 176.519 0.243 0.000 1.070 324 W CA -0.243 57.180 57.345 0.129 0.000 1.921 324 W CB -0.324 29.189 29.460 0.087 0.000 1.118 324 W HN 0.566 nan 8.180 nan 0.000 0.647 325 G N 1.435 110.360 108.800 0.209 0.000 2.564 325 G HA2 -0.189 3.771 3.960 0.000 0.000 0.273 325 G HA3 -0.189 3.771 3.960 0.000 0.000 0.273 325 G C 0.148 175.016 174.900 -0.053 0.000 1.242 325 G CA 0.644 45.805 45.100 0.101 0.000 0.951 325 G HN 0.455 nan 8.290 nan 0.000 0.564 326 T N -2.685 111.789 114.554 -0.133 0.000 2.838 326 T HA 0.713 5.063 4.350 0.000 0.000 0.292 326 T C 0.058 174.627 174.700 -0.217 0.000 1.113 326 T CA 0.453 62.298 62.100 -0.425 0.000 1.008 326 T CB 2.072 70.825 68.868 -0.192 0.000 1.259 326 T HN 1.486 nan 8.240 nan 0.000 0.520 327 E N 1.093 121.131 120.200 -0.271 0.000 3.157 327 E HA 0.296 4.646 4.350 0.000 0.000 0.203 327 E C -0.155 176.403 176.600 -0.071 0.000 0.982 327 E CA -0.530 55.917 56.400 0.079 0.000 1.217 327 E CB -0.023 29.775 29.700 0.162 0.000 1.123 327 E HN 0.495 nan 8.360 nan 0.000 0.457 328 L N 2.439 123.695 121.223 0.056 0.000 2.416 328 L HA 0.181 4.521 4.340 0.000 0.000 0.243 328 L C 0.028 177.055 176.870 0.262 0.000 1.373 328 L CA -0.222 54.663 54.840 0.075 0.000 1.227 328 L CB -0.648 41.504 42.059 0.156 0.000 1.428 328 L HN 0.442 nan 8.230 nan 0.000 0.425 329 F N -2.591 117.500 119.950 0.234 0.000 2.678 329 F HA 0.393 4.920 4.527 0.000 0.000 0.305 329 F C 1.783 177.708 175.800 0.209 0.000 1.090 329 F CA -0.389 57.763 58.000 0.254 0.000 1.272 329 F CB -0.811 38.388 39.000 0.332 0.000 1.060 329 F HN 0.123 nan 8.300 nan 0.000 0.576 330 G N 2.467 111.235 108.800 -0.052 0.000 2.624 330 G HA2 -0.293 3.667 3.960 0.000 0.000 0.221 330 G HA3 -0.293 3.667 3.960 0.000 0.000 0.221 330 G C -0.630 174.363 174.900 0.155 0.000 1.169 330 G CA 1.477 46.580 45.100 0.005 0.000 0.771 330 G HN 0.332 nan 8.290 nan 0.000 0.598 331 P HA -0.000 nan 4.420 nan 0.000 0.220 331 P C 1.770 179.188 177.300 0.197 0.000 1.148 331 P CA 0.631 63.851 63.100 0.200 0.000 0.803 331 P CB -0.131 31.729 31.700 0.266 0.000 0.782 332 L N -2.045 119.305 121.223 0.210 0.000 2.551 332 L HA -0.061 4.279 4.340 0.000 0.000 0.228 332 L C 1.703 178.722 176.870 0.248 0.000 1.153 332 L CA 0.446 55.377 54.840 0.153 0.000 0.851 332 L CB -0.593 41.477 42.059 0.018 0.000 0.959 332 L HN -0.026 nan 8.230 nan 0.000 0.451 333 L N -0.532 120.853 121.223 0.270 0.000 2.446 333 L HA 0.159 4.499 4.340 0.000 0.000 0.219 333 L C 0.700 177.639 176.870 0.115 0.000 1.116 333 L CA 0.882 55.855 54.840 0.222 0.000 0.844 333 L CB -0.297 41.879 42.059 0.196 0.000 0.970 333 L HN 0.101 nan 8.230 nan 0.000 0.457 334 L N -1.038 120.237 121.223 0.086 0.000 2.325 334 L HA 0.275 4.615 4.340 0.000 0.000 0.279 334 L C 1.484 178.364 176.870 0.017 0.000 1.054 334 L CA -0.090 54.761 54.840 0.020 0.000 0.804 334 L CB 1.276 43.327 42.059 -0.013 0.000 1.200 334 L HN 0.026 nan 8.230 nan 0.000 0.436 335 T N -2.330 112.214 114.554 -0.017 0.000 3.107 335 T HA 0.183 4.533 4.350 0.000 0.000 0.249 335 T C 0.367 175.057 174.700 -0.017 0.000 1.096 335 T CA 0.090 62.190 62.100 0.000 0.000 1.012 335 T CB 0.123 68.996 68.868 0.009 0.000 0.977 335 T HN 0.590 nan 8.240 nan 0.000 0.527 336 E N -0.267 119.882 120.200 -0.085 0.000 2.366 336 E HA 0.610 4.960 4.350 0.000 0.000 0.278 336 E C -1.586 174.941 176.600 -0.122 0.000 0.923 336 E CA -0.607 55.733 56.400 -0.101 0.000 0.761 336 E CB 2.469 32.024 29.700 -0.242 0.000 1.231 336 E HN 0.290 nan 8.360 nan 0.000 0.443 337 E N 1.423 121.610 120.200 -0.023 0.000 2.359 337 E HA 0.427 4.777 4.350 0.000 0.000 0.266 337 E C -0.341 176.293 176.600 0.057 0.000 0.920 337 E CA -0.587 55.814 56.400 0.001 0.000 0.788 337 E CB 1.211 30.931 29.700 0.033 0.000 1.279 337 E HN 0.498 nan 8.360 nan 0.000 0.438 338 I N 0.313 120.917 120.570 0.057 0.000 3.941 338 I HA 0.291 4.461 4.170 0.000 0.000 0.335 338 I C -0.329 175.827 176.117 0.065 0.000 1.402 338 I CA -0.455 60.899 61.300 0.090 0.000 1.112 338 I CB 0.353 38.408 38.000 0.092 0.000 1.043 338 I HN 0.132 nan 8.210 nan 0.000 0.395 339 V N -2.493 117.452 119.914 0.053 0.000 2.960 339 V HA 0.595 4.715 4.120 0.000 0.000 0.315 339 V C 0.549 176.669 176.094 0.043 0.000 1.087 339 V CA -0.606 61.719 62.300 0.041 0.000 0.982 339 V CB 1.573 33.416 31.823 0.033 0.000 1.039 339 V HN 0.092 nan 8.190 nan 0.000 0.437 340 N N 0.634 119.355 118.700 0.036 0.000 2.207 340 N HA -0.017 4.723 4.740 0.000 0.000 0.182 340 N C 0.156 175.684 175.510 0.031 0.000 1.020 340 N CA 0.750 53.820 53.050 0.034 0.000 0.858 340 N CB 0.040 38.543 38.487 0.027 0.000 0.991 340 N HN 0.831 nan 8.380 nan 0.000 0.427 341 E N 2.456 122.672 120.200 0.027 0.000 2.217 341 E HA 0.168 4.518 4.350 0.000 0.000 0.279 341 E C -2.176 174.442 176.600 0.030 0.000 1.068 341 E CA -1.409 55.006 56.400 0.024 0.000 0.882 341 E CB 0.455 30.166 29.700 0.018 0.000 1.039 341 E HN 0.263 nan 8.360 nan 0.000 0.418 342 P HA 0.166 nan 4.420 nan 0.000 0.280 342 P C -2.402 174.922 177.300 0.041 0.000 1.244 342 P CA -1.573 61.558 63.100 0.051 0.000 0.784 342 P CB 0.094 31.826 31.700 0.053 0.000 0.913 343 P HA 0.070 nan 4.420 nan 0.000 0.266 343 P C -0.449 176.803 177.300 -0.078 0.000 1.195 343 P CA 0.224 63.307 63.100 -0.029 0.000 0.768 343 P CB 0.631 32.381 31.700 0.083 0.000 0.838 344 Q N 1.928 121.607 119.800 -0.201 0.000 2.566 344 Q HA 0.207 4.547 4.340 0.000 0.000 0.221 344 Q C -0.976 174.945 176.000 -0.132 0.000 1.195 344 Q CA -0.159 55.585 55.803 -0.099 0.000 0.967 344 Q CB -0.067 28.656 28.738 -0.024 0.000 1.337 344 Q HN 0.435 nan 8.270 nan 0.000 0.553 345 Y N 2.159 122.507 120.300 0.080 0.000 2.434 345 Y HA 0.351 4.901 4.550 0.000 0.000 0.341 345 Y C 0.132 176.034 175.900 0.002 0.000 0.965 345 Y CA -0.644 57.475 58.100 0.033 0.000 1.205 345 Y CB 0.887 39.327 38.460 -0.035 0.000 1.121 345 Y HN 0.364 nan 8.280 nan 0.000 0.507 346 R N 3.006 123.635 120.500 0.216 0.000 2.522 346 R HA 0.318 4.658 4.340 0.000 0.000 0.283 346 R C -1.634 174.690 176.300 0.039 0.000 1.074 346 R CA -0.562 55.590 56.100 0.088 0.000 0.925 346 R CB 1.150 31.464 30.300 0.023 0.000 1.205 346 R HN 0.657 nan 8.270 nan 0.000 0.436 347 D N 5.380 125.607 120.400 -0.289 0.000 2.760 347 D HA -0.192 4.448 4.640 0.000 0.000 0.244 347 D C -0.430 175.557 176.300 -0.522 0.000 1.123 347 D CA 1.630 55.278 54.000 -0.587 0.000 0.719 347 D CB -0.949 39.728 40.800 -0.205 0.000 1.045 347 D HN 0.717 nan 8.370 nan 0.000 0.426 348 F N -2.805 117.116 119.950 -0.048 0.000 2.973 348 F HA -0.345 4.182 4.527 0.000 0.000 0.299 348 F C 1.076 176.869 175.800 -0.011 0.000 0.737 348 F CA 1.199 59.170 58.000 -0.049 0.000 1.151 348 F CB -2.021 36.964 39.000 -0.025 0.000 1.440 348 F HN 0.315 nan 8.300 nan 0.000 0.367 349 Q N -0.276 119.538 119.800 0.023 0.000 2.495 349 Q HA 0.761 5.101 4.340 0.000 0.000 0.287 349 Q C -1.231 174.640 176.000 -0.215 0.000 1.078 349 Q CA -1.445 54.299 55.803 -0.099 0.000 0.793 349 Q CB 2.770 31.338 28.738 -0.283 0.000 1.459 349 Q HN 0.106 nan 8.270 nan 0.000 0.422 350 L N 1.357 122.414 121.223 -0.277 0.000 2.287 350 L HA 0.385 4.725 4.340 0.000 0.000 0.287 350 L C -1.388 175.212 176.870 -0.449 0.000 1.022 350 L CA -0.194 54.411 54.840 -0.392 0.000 0.814 350 L CB 0.670 42.578 42.059 -0.251 0.000 1.217 350 L HN 0.530 nan 8.230 nan 0.000 0.420 351 H N 5.674 124.626 119.070 -0.195 0.000 2.517 351 H HA 0.521 5.077 4.556 0.000 0.000 0.317 351 H C -0.481 174.756 175.328 -0.152 0.000 1.080 351 H CA -0.542 55.424 56.048 -0.137 0.000 1.301 351 H CB 0.964 30.660 29.762 -0.110 0.000 1.425 351 H HN 0.383 nan 8.280 nan 0.000 0.471 352 I N 5.268 125.803 120.570 -0.058 0.000 2.321 352 I HA 0.244 4.414 4.170 0.000 0.000 0.291 352 I C -2.199 173.871 176.117 -0.079 0.000 0.998 352 I CA -3.078 58.146 61.300 -0.127 0.000 1.227 352 I CB 0.689 38.520 38.000 -0.281 0.000 1.368 352 I HN 0.409 nan 8.210 nan 0.000 0.466 353 P HA 0.269 nan 4.420 nan 0.000 0.270 353 P C 0.450 177.760 177.300 0.018 0.000 1.223 353 P CA -0.326 62.772 63.100 -0.003 0.000 0.785 353 P CB 0.852 32.560 31.700 0.014 0.000 0.923 354 R N -0.433 120.081 120.500 0.024 0.000 2.310 354 R HA 0.060 4.400 4.340 0.000 0.000 0.202 354 R C 0.603 176.937 176.300 0.057 0.000 0.933 354 R CA 0.192 56.317 56.100 0.042 0.000 1.054 354 R CB -0.677 29.636 30.300 0.022 0.000 0.985 354 R HN 0.651 nan 8.270 nan 0.000 0.489 355 T N -0.475 114.110 114.554 0.051 0.000 2.856 355 T HA 0.056 4.406 4.350 0.000 0.000 0.329 355 T C -2.288 172.435 174.700 0.038 0.000 1.094 355 T CA -1.313 60.809 62.100 0.038 0.000 1.112 355 T CB 0.585 69.471 68.868 0.030 0.000 1.009 355 T HN -0.137 nan 8.240 nan 0.000 0.550 356 P HA 0.417 nan 4.420 nan 0.000 0.272 356 P C 1.147 178.417 177.300 -0.050 0.000 1.223 356 P CA 1.007 64.097 63.100 -0.016 0.000 0.784 356 P CB 0.059 31.750 31.700 -0.016 0.000 0.923 357 G N 1.376 110.117 108.800 -0.098 0.000 2.564 357 G HA2 -0.288 3.672 3.960 0.000 0.000 0.273 357 G HA3 -0.288 3.672 3.960 0.000 0.000 0.273 357 G C 0.305 175.037 174.900 -0.279 0.000 1.242 357 G CA -0.140 44.867 45.100 -0.156 0.000 0.951 357 G HN 0.451 nan 8.290 nan 0.000 0.564 358 L N 2.414 123.506 121.223 -0.219 0.000 2.492 358 L HA 0.343 4.683 4.340 0.000 0.000 0.223 358 L C 2.653 179.525 176.870 0.004 0.000 1.132 358 L CA 2.293 57.016 54.840 -0.194 0.000 0.850 358 L CB -1.100 40.900 42.059 -0.098 0.000 0.966 358 L HN 2.338 nan 8.230 nan 0.000 0.454 359 G N -0.219 108.576 108.800 -0.008 0.000 2.147 359 G HA2 -0.255 3.705 3.960 0.000 0.000 0.244 359 G HA3 -0.255 3.705 3.960 0.000 0.000 0.244 359 G C 0.111 175.022 174.900 0.020 0.000 1.005 359 G CA 0.397 45.514 45.100 0.029 0.000 0.713 359 G HN 0.304 nan 8.290 nan 0.000 0.515 360 L N 0.188 121.414 121.223 0.005 0.000 2.354 360 L HA 0.879 5.219 4.340 0.000 0.000 0.264 360 L C 0.387 177.260 176.870 0.004 0.000 1.008 360 L CA -0.543 54.302 54.840 0.008 0.000 0.819 360 L CB 2.555 44.620 42.059 0.010 0.000 1.339 360 L HN 0.328 nan 8.230 nan 0.000 0.420 361 T N -0.845 113.715 114.554 0.010 0.000 2.900 361 T HA 0.635 4.985 4.350 0.000 0.000 0.295 361 T C -0.552 174.158 174.700 0.017 0.000 1.044 361 T CA -0.821 61.285 62.100 0.010 0.000 0.995 361 T CB 1.418 70.291 68.868 0.009 0.000 1.072 361 T HN 0.305 nan 8.240 nan 0.000 0.473 362 L N 2.244 123.478 121.223 0.017 0.000 2.416 362 L HA 0.306 4.646 4.340 0.000 0.000 0.272 362 L C 0.547 177.435 176.870 0.030 0.000 1.161 362 L CA -0.430 54.425 54.840 0.026 0.000 0.845 362 L CB 0.392 42.465 42.059 0.024 0.000 1.119 362 L HN 0.763 nan 8.230 nan 0.000 0.464 363 D N 3.143 123.568 120.400 0.043 0.000 2.522 363 D HA 0.004 4.644 4.640 0.000 0.000 0.218 363 D C 1.066 177.394 176.300 0.046 0.000 1.149 363 D CA -0.191 53.837 54.000 0.047 0.000 0.981 363 D CB 0.553 41.392 40.800 0.065 0.000 1.041 363 D HN 0.405 nan 8.370 nan 0.000 0.518 364 E N 2.065 122.284 120.200 0.031 0.000 2.136 364 E HA -0.300 4.050 4.350 0.000 0.000 0.208 364 E C 1.700 178.310 176.600 0.017 0.000 1.035 364 E CA 1.659 58.072 56.400 0.022 0.000 0.838 364 E CB -0.359 29.349 29.700 0.013 0.000 0.748 364 E HN 0.635 nan 8.360 nan 0.000 0.459 365 A N 1.466 124.293 122.820 0.013 0.000 1.858 365 A HA -0.188 4.132 4.320 0.000 0.000 0.216 365 A C 2.222 179.796 177.584 -0.017 0.000 1.190 365 A CA 1.554 53.587 52.037 -0.006 0.000 0.617 365 A CB -0.447 18.550 19.000 -0.006 0.000 0.827 365 A HN 0.107 nan 8.150 nan 0.000 0.443 366 R N -1.232 119.287 120.500 0.032 0.000 2.096 366 R HA -0.104 4.236 4.340 0.000 0.000 0.235 366 R C 2.102 178.478 176.300 0.125 0.000 1.127 366 R CA 1.313 57.465 56.100 0.087 0.000 0.968 366 R CB -0.701 29.744 30.300 0.242 0.000 0.861 366 R HN 0.486 nan 8.270 nan 0.000 0.440 367 L N 1.032 122.317 121.223 0.105 0.000 1.990 367 L HA -0.172 4.168 4.340 0.000 0.000 0.213 367 L C 2.296 179.198 176.870 0.053 0.000 1.072 367 L CA 2.168 57.067 54.840 0.098 0.000 0.755 367 L CB -0.899 41.197 42.059 0.061 0.000 0.889 367 L HN 0.135 nan 8.230 nan 0.000 0.432 368 A N -0.758 122.065 122.820 0.006 0.000 1.972 368 A HA -0.196 4.124 4.320 0.000 0.000 0.219 368 A C 2.369 179.908 177.584 -0.076 0.000 1.169 368 A CA 1.532 53.554 52.037 -0.024 0.000 0.635 368 A CB -0.497 18.485 19.000 -0.031 0.000 0.810 368 A HN 0.492 nan 8.150 nan 0.000 0.446 369 R N -1.344 119.060 120.500 -0.161 0.000 2.070 369 R HA -0.101 4.239 4.340 0.000 0.000 0.232 369 R C 1.671 177.732 176.300 -0.399 0.000 1.138 369 R CA 1.771 57.643 56.100 -0.379 0.000 0.936 369 R CB -0.696 29.182 30.300 -0.703 0.000 0.839 369 R HN 0.598 nan 8.270 nan 0.000 0.429 370 F N 0.885 120.842 119.950 0.011 0.000 2.743 370 F HA 0.249 4.776 4.527 0.000 0.000 0.297 370 F C 1.171 176.977 175.800 0.009 0.000 1.131 370 F CA -0.320 57.686 58.000 0.011 0.000 1.426 370 F CB -0.353 38.656 39.000 0.014 0.000 1.116 370 F HN -0.054 nan 8.300 nan 0.000 0.583 371 A N 2.115 125.015 122.820 0.134 0.000 2.548 371 A HA 0.230 4.550 4.320 0.000 0.000 0.247 371 A C 0.914 178.536 177.584 0.063 0.000 1.067 371 A CA -0.416 51.673 52.037 0.086 0.000 0.757 371 A CB -0.205 18.825 19.000 0.049 0.000 0.996 371 A HN 0.512 nan 8.150 nan 0.000 0.504 372 R N 0.000 120.537 120.500 0.062 0.000 2.786 372 R HA 0.000 4.340 4.340 0.000 0.000 0.208 372 R CA 0.000 56.128 56.100 0.046 0.000 0.921 372 R CB 0.000 30.326 30.300 0.044 0.000 0.687 372 R HN 0.000 nan 8.270 nan 0.000 0.535