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 1uf2_1_A DATA FIRST_RESID 50 DATA SEQUENCE QSVVSRTPIP LSKIGLQDVK KLFDINVIKC GSSLRIVDEP QVTFIVSYAK DATA SEQUENCE DIYDKFMCIE HDSAYEPSLT MHRVRVIYSM LNDYCAKMIS EVPYESSFVG DATA SEQUENCE ELPVKSVTLN KLGDRNMDAL AEHLLFEHDV VNAQRENRIF YQRKSAPAVP DATA SEQUENCE VIFGDDLEPA VRERANLYHR YSVPYHQIEL ALHALANDLL SIQYCHPTVV DATA SEQUENCE YNYLSSRAPN FLRLDDQVSL KLTSAGIGTL MPRPVVQLLD YDLVYMSPLA DATA SEQUENCE LNNLASRLLR KISLHLVMQM VTAVQQDLGE VVSVSSNVTN PASACLVRMN DATA SEQUENCE VQGVQTLAVF IAQSMLNPNI SYGMISGLTL DCFSNFIYGA CLMLFQALIP DATA SEQUENCE PSALTARQRL DINNRFAYFL IKCHATQATT ARLVANQVIY PVDAIDQWQS DATA SEQUENCE NGRDVLVAIY NNLLPGELVL TNLIQTYFRG NTAQQAAEIL IPADQTSYGA DATA SEQUENCE NETRALSAPY LFGAPINMLA PDARLSTYKR DLALPDRSPI LITTVEGQNS DATA SEQUENCE ISIENLRHKT GLIRAMYLNG FVTQPPAWIR NANSNTALLS RFLDATPNLL DATA SEQUENCE GIYEAILANT YANAVNVYCD SVYRADIPIE WKLHQSVDPQ DLLFGVFGIV DATA SEQUENCE PQYQILNEAV PDFFAGGEDI LILQLIRAVY DTLSNKLGRN PADIFHLEEV DATA SEQUENCE FKVIEEIVSV LVQQKIDVRK YFTESMRSGS FSKPRWDNFL RRPVAQRLPN DATA SEQUENCE LYSVIMTQAD HVYNYMTQLT HIIPITDCFY IVKNSGFVDR GSTGPVIASS DATA SEQUENCE SVYENVLKVV HTIADFDAAN ALRLQRRRVD NTSYTDSLSD MFNGLRSISS DATA SEQUENCE SEFVRSVNGR SVFTEGRIDA IKVNMRAKFD LQFITEEGGY SKPPNVKKLM DATA SEQUENCE FSDFLSFLDS HKSDYRPPLL TVPITIGLNN LGETNSNTLR MRSEAIDEYF DATA SEQUENCE SSYVGAQILV PINVVDTRVY TEFSELRNFF TGDVVIRDDP FDVWDGVKAT DATA SEQUENCE YIPIGVHGVR LDPNGDQ 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 50 Q HA 0.000 nan 4.340 nan 0.000 0.214 50 Q C 0.000 176.005 176.000 0.008 0.000 1.003 50 Q CA 0.000 55.799 55.803 -0.007 0.000 1.022 50 Q CB 0.000 28.733 28.738 -0.008 0.000 1.108 51 S N 0.615 116.327 115.700 0.019 0.000 2.466 51 S HA 0.177 4.647 4.470 0.000 0.000 0.286 51 S C 0.124 174.745 174.600 0.034 0.000 1.221 51 S CA -0.037 58.183 58.200 0.034 0.000 1.091 51 S CB 0.775 64.011 63.200 0.060 0.000 0.956 51 S HN 0.286 nan 8.310 nan 0.000 0.501 52 V N 4.959 124.890 119.914 0.028 0.000 2.239 52 V HA 0.194 4.314 4.120 0.000 0.000 0.267 52 V C 0.156 176.267 176.094 0.028 0.000 1.056 52 V CA -0.812 61.505 62.300 0.029 0.000 0.830 52 V CB 0.457 32.294 31.823 0.024 0.000 1.090 52 V HN 0.650 nan 8.190 nan 0.000 0.459 53 V N 2.930 122.863 119.914 0.033 0.000 2.655 53 V HA 0.181 4.301 4.120 0.000 0.000 0.300 53 V C 0.945 177.061 176.094 0.036 0.000 1.044 53 V CA 0.448 62.771 62.300 0.037 0.000 1.095 53 V CB 1.478 33.329 31.823 0.047 0.000 0.952 53 V HN 0.841 nan 8.190 nan 0.000 0.485 54 S N 3.499 119.223 115.700 0.040 0.000 2.586 54 S HA 0.338 4.808 4.470 0.000 0.000 0.274 54 S C 0.900 175.500 174.600 -0.000 0.000 1.281 54 S CA -0.559 57.651 58.200 0.017 0.000 1.035 54 S CB 0.938 64.147 63.200 0.016 0.000 0.962 54 S HN 0.752 nan 8.310 nan 0.000 0.512 55 R N 1.065 121.533 120.500 -0.053 0.000 2.280 55 R HA 0.105 4.445 4.340 0.000 0.000 0.195 55 R C -0.054 176.130 176.300 -0.193 0.000 0.935 55 R CA 0.944 56.972 56.100 -0.121 0.000 1.033 55 R CB 0.082 30.300 30.300 -0.136 0.000 0.964 55 R HN 0.754 nan 8.270 nan 0.000 0.489 56 T N -2.588 111.872 114.554 -0.157 0.000 3.209 56 T HA 0.333 4.683 4.350 0.000 0.000 0.366 56 T C -2.427 172.227 174.700 -0.075 0.000 1.293 56 T CA -1.679 60.301 62.100 -0.200 0.000 1.417 56 T CB 1.655 70.348 68.868 -0.292 0.000 1.013 56 T HN -0.128 nan 8.240 nan 0.000 0.572 57 P HA 0.170 nan 4.420 nan 0.000 0.218 57 P C 0.188 177.504 177.300 0.027 0.000 1.149 57 P CA 0.655 63.764 63.100 0.015 0.000 0.817 57 P CB 0.084 31.815 31.700 0.053 0.000 0.785 58 I N 0.150 120.729 120.570 0.015 0.000 2.750 58 I HA 0.263 4.433 4.170 0.000 0.000 0.279 58 I C -2.473 173.683 176.117 0.065 0.000 1.206 58 I CA -2.524 58.799 61.300 0.038 0.000 1.101 58 I CB 1.403 39.423 38.000 0.033 0.000 1.431 58 I HN -0.192 nan 8.210 nan 0.000 0.551 59 P HA 0.049 nan 4.420 nan 0.000 0.268 59 P C -0.493 176.879 177.300 0.120 0.000 1.204 59 P CA -0.121 63.069 63.100 0.148 0.000 0.768 59 P CB 1.103 32.877 31.700 0.124 0.000 0.842 60 L N 2.151 123.457 121.223 0.139 0.000 2.397 60 L HA 0.279 4.619 4.340 0.000 0.000 0.271 60 L C 1.146 178.049 176.870 0.056 0.000 1.148 60 L CA 0.493 55.383 54.840 0.084 0.000 0.825 60 L CB 0.378 42.479 42.059 0.069 0.000 1.117 60 L HN 0.482 nan 8.230 nan 0.000 0.456 61 S N 2.447 118.177 115.700 0.049 0.000 2.566 61 S HA 0.561 5.031 4.470 0.000 0.000 0.298 61 S C -0.507 174.114 174.600 0.035 0.000 1.083 61 S CA -0.787 57.434 58.200 0.036 0.000 0.978 61 S CB 1.577 64.794 63.200 0.029 0.000 1.073 61 S HN 0.538 nan 8.310 nan 0.000 0.491 62 K N 1.764 122.177 120.400 0.022 0.000 2.130 62 K HA 0.620 4.940 4.320 0.000 0.000 0.268 62 K C -1.009 175.591 176.600 -0.000 0.000 0.983 62 K CA -0.661 55.633 56.287 0.012 0.000 0.893 62 K CB 1.477 33.979 32.500 0.003 0.000 1.066 62 K HN 0.463 nan 8.250 nan 0.000 0.450 63 I N -0.062 120.497 120.570 -0.019 0.000 3.074 63 I HA 0.414 4.584 4.170 0.000 0.000 0.310 63 I C -0.734 175.333 176.117 -0.084 0.000 1.153 63 I CA -0.405 60.869 61.300 -0.044 0.000 0.993 63 I CB 2.246 40.219 38.000 -0.046 0.000 1.237 63 I HN 0.658 nan 8.210 nan 0.000 0.443 64 G N 3.680 112.429 108.800 -0.085 0.000 2.389 64 G HA2 0.423 4.383 3.960 0.000 0.000 0.328 64 G HA3 0.423 4.383 3.960 0.000 0.000 0.328 64 G C 0.259 175.074 174.900 -0.141 0.000 1.133 64 G CA -0.459 44.582 45.100 -0.098 0.000 0.891 64 G HN 0.746 nan 8.290 nan 0.000 0.485 65 L N 0.946 122.071 121.223 -0.164 0.000 2.081 65 L HA -0.205 4.135 4.340 0.000 0.000 0.212 65 L C 3.029 179.794 176.870 -0.174 0.000 1.080 65 L CA 2.341 57.041 54.840 -0.234 0.000 0.754 65 L CB -0.307 41.635 42.059 -0.196 0.000 0.893 65 L HN 0.727 nan 8.230 nan 0.000 0.433 66 Q N -1.421 118.353 119.800 -0.043 0.000 2.170 66 Q HA -0.214 4.126 4.340 0.000 0.000 0.203 66 Q C 1.242 177.275 176.000 0.054 0.000 0.976 66 Q CA 1.770 57.605 55.803 0.053 0.000 0.858 66 Q CB -0.933 27.834 28.738 0.048 0.000 0.907 66 Q HN 0.543 nan 8.270 nan 0.000 0.433 67 D N 1.278 121.678 120.400 0.000 0.000 2.378 67 D HA 0.048 4.688 4.640 0.000 0.000 0.227 67 D C 0.175 176.512 176.300 0.062 0.000 1.012 67 D CA 0.118 54.137 54.000 0.031 0.000 0.905 67 D CB 0.243 41.049 40.800 0.010 0.000 0.895 67 D HN 0.043 nan 8.370 nan 0.000 0.532 68 V N 1.445 121.359 119.914 -0.001 0.000 2.585 68 V HA -0.041 4.079 4.120 0.000 0.000 0.296 68 V C 0.870 177.108 176.094 0.241 0.000 1.035 68 V CA -0.298 62.046 62.300 0.073 0.000 1.084 68 V CB 0.979 32.710 31.823 -0.154 0.000 0.953 68 V HN -0.096 nan 8.190 nan 0.000 0.483 69 K N 5.587 126.185 120.400 0.330 0.000 2.349 69 K HA 0.188 4.508 4.320 0.000 0.000 0.288 69 K C 0.148 176.905 176.600 0.261 0.000 1.058 69 K CA -0.447 56.000 56.287 0.266 0.000 0.953 69 K CB 0.362 33.012 32.500 0.250 0.000 0.997 69 K HN 0.651 nan 8.250 nan 0.000 0.477 70 K N 5.118 125.670 120.400 0.254 0.000 2.249 70 K HA 0.127 4.447 4.320 0.000 0.000 0.280 70 K C 0.490 177.204 176.600 0.190 0.000 1.033 70 K CA -0.350 56.117 56.287 0.300 0.000 0.946 70 K CB 1.030 33.703 32.500 0.289 0.000 1.005 70 K HN 0.563 nan 8.250 nan 0.000 0.469 71 L N 1.353 122.724 121.223 0.247 0.000 2.640 71 L HA 0.247 4.587 4.340 0.000 0.000 0.230 71 L C -0.341 176.398 176.870 -0.218 0.000 1.123 71 L CA 0.059 54.871 54.840 -0.047 0.000 0.900 71 L CB -0.011 41.937 42.059 -0.185 0.000 1.146 71 L HN 0.486 nan 8.230 nan 0.000 0.484 72 F N -1.325 118.789 119.950 0.273 0.000 2.577 72 F HA 0.492 5.019 4.527 0.000 0.000 0.318 72 F C -0.188 175.742 175.800 0.218 0.000 1.065 72 F CA -1.155 57.020 58.000 0.292 0.000 0.929 72 F CB 1.375 40.661 39.000 0.478 0.000 1.237 72 F HN -0.263 nan 8.300 nan 0.000 0.468 73 D N 1.652 122.272 120.400 0.367 0.000 2.350 73 D HA 0.550 5.190 4.640 0.000 0.000 0.245 73 D C -0.749 175.677 176.300 0.211 0.000 1.036 73 D CA -0.133 54.003 54.000 0.227 0.000 0.848 73 D CB 2.557 43.468 40.800 0.185 0.000 1.307 73 D HN 0.309 nan 8.370 nan 0.000 0.469 74 I N 2.269 122.906 120.570 0.113 0.000 2.406 74 I HA 0.260 4.430 4.170 0.000 0.000 0.290 74 I C -0.211 175.937 176.117 0.053 0.000 0.999 74 I CA -0.706 60.650 61.300 0.092 0.000 1.124 74 I CB 1.346 39.351 38.000 0.008 0.000 1.289 74 I HN 0.002 nan 8.210 nan 0.000 0.441 75 N N 5.361 124.074 118.700 0.022 0.000 2.342 75 N HA 0.437 5.177 4.740 0.000 0.000 0.293 75 N C -1.310 174.097 175.510 -0.172 0.000 1.026 75 N CA -0.359 52.643 53.050 -0.080 0.000 0.857 75 N CB 3.297 41.695 38.487 -0.149 0.000 1.256 75 N HN 0.223 nan 8.380 nan 0.000 0.484 76 V N 4.162 123.904 119.914 -0.288 0.000 2.448 76 V HA 0.648 4.768 4.120 0.000 0.000 0.295 76 V C -0.563 175.285 176.094 -0.409 0.000 1.025 76 V CA -0.635 61.353 62.300 -0.521 0.000 0.859 76 V CB 1.187 32.530 31.823 -0.799 0.000 0.988 76 V HN 0.582 nan 8.190 nan 0.000 0.431 77 I N 3.191 123.536 120.570 -0.375 0.000 2.802 77 I HA 0.638 4.808 4.170 0.000 0.000 0.298 77 I C -0.908 175.089 176.117 -0.200 0.000 1.176 77 I CA -1.026 60.134 61.300 -0.233 0.000 1.025 77 I CB 2.488 40.384 38.000 -0.173 0.000 1.243 77 I HN 0.423 nan 8.210 nan 0.000 0.424 78 K N 4.664 124.986 120.400 -0.130 0.000 2.266 78 K HA 0.427 4.747 4.320 0.000 0.000 0.274 78 K C -1.034 175.527 176.600 -0.065 0.000 1.090 78 K CA -0.519 55.710 56.287 -0.096 0.000 0.925 78 K CB 0.936 33.391 32.500 -0.074 0.000 1.225 78 K HN 0.576 nan 8.250 nan 0.000 0.458 79 C N 3.094 122.361 119.300 -0.056 0.000 2.624 79 C HA 0.317 4.777 4.460 0.000 0.000 0.397 79 C C 1.241 176.221 174.990 -0.017 0.000 1.331 79 C CA -0.385 58.615 59.018 -0.030 0.000 1.716 79 C CB -0.848 26.878 27.740 -0.023 0.000 2.452 79 C HN 0.947 nan 8.230 nan 0.000 0.586 80 G N 2.228 111.023 108.800 -0.008 0.000 3.108 80 G HA2 0.706 4.666 3.960 0.000 0.000 0.268 80 G HA3 0.706 4.666 3.960 0.000 0.000 0.268 80 G C -1.129 173.778 174.900 0.012 0.000 1.361 80 G CA -0.214 44.886 45.100 -0.001 0.000 1.047 80 G HN 0.699 nan 8.290 nan 0.000 0.540 81 S N -1.932 113.778 115.700 0.017 0.000 2.566 81 S HA 0.522 4.992 4.470 0.000 0.000 0.298 81 S C 1.063 175.687 174.600 0.040 0.000 1.083 81 S CA 0.296 58.512 58.200 0.026 0.000 0.978 81 S CB 1.773 64.984 63.200 0.019 0.000 1.073 81 S HN 1.210 nan 8.310 nan 0.000 0.491 82 S N 3.312 119.047 115.700 0.058 0.000 2.511 82 S HA 0.112 4.582 4.470 0.000 0.000 0.214 82 S C 1.331 175.967 174.600 0.061 0.000 0.997 82 S CA -0.017 58.236 58.200 0.088 0.000 0.908 82 S CB -0.101 63.193 63.200 0.156 0.000 0.803 82 S HN 0.578 nan 8.310 nan 0.000 0.504 83 L N 0.646 121.892 121.223 0.038 0.000 2.253 83 L HA 0.575 4.915 4.340 0.000 0.000 0.205 83 L C 0.694 177.576 176.870 0.020 0.000 1.078 83 L CA 0.844 55.699 54.840 0.024 0.000 0.805 83 L CB 0.048 42.114 42.059 0.013 0.000 0.963 83 L HN 0.125 nan 8.230 nan 0.000 0.459 84 R N -0.989 119.523 120.500 0.020 0.000 2.923 84 R HA 0.590 4.930 4.340 0.000 0.000 0.252 84 R C -1.182 175.129 176.300 0.018 0.000 1.130 84 R CA -0.738 55.372 56.100 0.017 0.000 1.043 84 R CB 0.969 31.278 30.300 0.015 0.000 1.205 84 R HN -0.031 nan 8.270 nan 0.000 0.495 85 I N 2.163 122.743 120.570 0.017 0.000 2.347 85 I HA 0.244 4.414 4.170 0.000 0.000 0.283 85 I C -0.434 175.694 176.117 0.018 0.000 1.058 85 I CA -0.709 60.601 61.300 0.017 0.000 1.202 85 I CB 0.922 38.931 38.000 0.017 0.000 1.386 85 I HN 0.203 nan 8.210 nan 0.000 0.475 86 V N 1.793 121.717 119.914 0.017 0.000 2.383 86 V HA 0.409 4.529 4.120 0.000 0.000 0.275 86 V C 0.665 176.771 176.094 0.021 0.000 1.036 86 V CA -0.461 61.851 62.300 0.019 0.000 0.889 86 V CB 1.070 32.902 31.823 0.015 0.000 0.985 86 V HN 0.623 nan 8.190 nan 0.000 0.459 87 D N 3.270 123.691 120.400 0.035 0.000 2.178 87 D HA -0.074 4.566 4.640 0.000 0.000 0.202 87 D C 0.355 176.679 176.300 0.040 0.000 0.974 87 D CA 1.314 55.344 54.000 0.049 0.000 0.841 87 D CB 0.520 41.366 40.800 0.077 0.000 0.953 87 D HN 0.823 nan 8.370 nan 0.000 0.478 88 E N 1.519 121.740 120.200 0.035 0.000 2.325 88 E HA 0.248 4.598 4.350 0.000 0.000 0.248 88 E C -2.336 174.261 176.600 -0.004 0.000 0.912 88 E CA -1.597 54.808 56.400 0.009 0.000 0.782 88 E CB 2.340 32.079 29.700 0.065 0.000 1.264 88 E HN 0.063 nan 8.360 nan 0.000 0.417 89 P HA 0.011 nan 4.420 nan 0.000 0.274 89 P C -0.625 176.663 177.300 -0.020 0.000 1.246 89 P CA -0.548 62.538 63.100 -0.024 0.000 0.795 89 P CB 0.846 32.522 31.700 -0.041 0.000 1.006 90 Q N 0.931 120.725 119.800 -0.010 0.000 2.361 90 Q HA 0.248 4.588 4.340 0.000 0.000 0.250 90 Q C -0.892 175.099 176.000 -0.015 0.000 1.023 90 Q CA -0.356 55.450 55.803 0.005 0.000 0.915 90 Q CB -0.276 28.471 28.738 0.015 0.000 1.238 90 Q HN 0.167 nan 8.270 nan 0.000 0.451 91 V N 4.761 124.673 119.914 -0.004 0.000 2.446 91 V HA 0.231 4.351 4.120 0.000 0.000 0.276 91 V C 0.277 176.343 176.094 -0.046 0.000 1.030 91 V CA 0.024 62.290 62.300 -0.056 0.000 1.033 91 V CB 0.500 32.326 31.823 0.005 0.000 0.993 91 V HN 0.782 nan 8.190 nan 0.000 0.477 92 T N 5.733 120.169 114.554 -0.197 0.000 2.885 92 T HA 0.701 5.051 4.350 0.000 0.000 0.285 92 T C -0.753 173.724 174.700 -0.371 0.000 1.019 92 T CA -0.187 61.842 62.100 -0.118 0.000 1.010 92 T CB 1.203 70.034 68.868 -0.061 0.000 1.022 92 T HN 0.308 nan 8.240 nan 0.000 0.466 93 F N 2.430 122.407 119.950 0.045 0.000 2.449 93 F HA 0.527 5.054 4.527 0.000 0.000 0.342 93 F C -0.092 175.728 175.800 0.033 0.000 1.127 93 F CA -1.223 56.807 58.000 0.050 0.000 0.975 93 F CB 1.087 40.163 39.000 0.127 0.000 1.146 93 F HN 0.213 nan 8.300 nan 0.000 0.444 94 I N 4.925 125.546 120.570 0.085 0.000 2.330 94 I HA 0.297 4.467 4.170 0.000 0.000 0.289 94 I C -0.407 175.764 176.117 0.091 0.000 1.001 94 I CA -0.680 60.626 61.300 0.009 0.000 1.193 94 I CB 1.208 39.096 38.000 -0.186 0.000 1.345 94 I HN 0.180 nan 8.210 nan 0.000 0.461 95 V N 6.582 126.565 119.914 0.115 0.000 2.350 95 V HA 0.461 4.581 4.120 0.000 0.000 0.276 95 V C 0.438 176.593 176.094 0.101 0.000 1.028 95 V CA -0.305 62.100 62.300 0.175 0.000 0.860 95 V CB 1.313 33.239 31.823 0.172 0.000 0.990 95 V HN 0.910 nan 8.190 nan 0.000 0.453 96 S N 3.920 119.718 115.700 0.163 0.000 2.634 96 S HA 0.763 5.233 4.470 0.000 0.000 0.296 96 S C -0.876 173.735 174.600 0.018 0.000 1.104 96 S CA -0.880 57.370 58.200 0.083 0.000 0.920 96 S CB 1.170 64.546 63.200 0.294 0.000 1.111 96 S HN 0.394 nan 8.310 nan 0.000 0.493 97 Y N 0.753 121.121 120.300 0.113 0.000 2.314 97 Y HA 0.509 5.059 4.550 0.000 0.000 0.334 97 Y C 1.303 177.179 175.900 -0.039 0.000 1.266 97 Y CA -0.010 58.050 58.100 -0.067 0.000 1.391 97 Y CB 0.418 38.804 38.460 -0.123 0.000 1.306 97 Y HN 1.000 nan 8.280 nan 0.000 0.558 98 A N 1.797 124.661 122.820 0.074 0.000 2.262 98 A HA 0.257 4.577 4.320 0.000 0.000 0.273 98 A C 0.905 178.487 177.584 -0.004 0.000 1.202 98 A CA -0.263 51.795 52.037 0.035 0.000 0.811 98 A CB 0.427 19.427 19.000 -0.001 0.000 1.159 98 A HN 0.895 nan 8.150 nan 0.000 0.505 99 K N -0.961 119.425 120.400 -0.023 0.000 2.399 99 K HA 0.029 4.349 4.320 0.000 0.000 0.196 99 K C -0.257 176.303 176.600 -0.067 0.000 1.103 99 K CA 0.793 57.048 56.287 -0.053 0.000 0.986 99 K CB 0.287 32.762 32.500 -0.043 0.000 0.952 99 K HN 0.789 nan 8.250 nan 0.000 0.541 100 D N 0.809 121.173 120.400 -0.060 0.000 2.388 100 D HA 0.071 4.711 4.640 0.000 0.000 0.221 100 D C 0.350 176.591 176.300 -0.098 0.000 1.133 100 D CA -0.326 53.641 54.000 -0.055 0.000 0.831 100 D CB -0.571 40.215 40.800 -0.024 0.000 0.962 100 D HN 0.029 nan 8.370 nan 0.000 0.502 101 I N 1.644 122.123 120.570 -0.150 0.000 3.388 101 I HA -0.229 3.941 4.170 0.000 0.000 0.298 101 I C -0.011 176.031 176.117 -0.126 0.000 1.238 101 I CA 0.538 61.689 61.300 -0.249 0.000 1.376 101 I CB -1.209 36.666 38.000 -0.209 0.000 1.470 101 I HN 0.095 nan 8.210 nan 0.000 0.547 102 Y N 3.833 124.129 120.300 -0.006 0.000 2.975 102 Y HA -0.316 4.234 4.550 0.000 0.000 0.194 102 Y C 1.248 177.192 175.900 0.074 0.000 1.437 102 Y CA 0.295 58.406 58.100 0.018 0.000 0.863 102 Y CB -0.850 37.577 38.460 -0.054 0.000 1.368 102 Y HN 0.648 nan 8.280 nan 0.000 0.365 103 D N 1.179 121.690 120.400 0.186 0.000 2.123 103 D HA -0.114 4.526 4.640 0.000 0.000 0.200 103 D C 1.668 178.071 176.300 0.171 0.000 0.976 103 D CA 1.644 55.727 54.000 0.138 0.000 0.831 103 D CB 0.142 40.992 40.800 0.083 0.000 0.974 103 D HN 0.514 nan 8.370 nan 0.000 0.469 104 K N -0.889 119.636 120.400 0.207 0.000 2.293 104 K HA -0.187 4.133 4.320 0.000 0.000 0.204 104 K C 1.610 178.368 176.600 0.263 0.000 1.045 104 K CA 0.890 57.310 56.287 0.223 0.000 0.933 104 K CB -0.188 32.450 32.500 0.229 0.000 0.736 104 K HN 0.294 nan 8.250 nan 0.000 0.463 105 F N -0.049 119.968 119.950 0.113 0.000 2.622 105 F HA 0.082 4.609 4.527 0.000 0.000 0.288 105 F C 1.846 177.680 175.800 0.057 0.000 1.120 105 F CA 0.144 58.191 58.000 0.078 0.000 1.423 105 F CB 0.266 39.267 39.000 0.002 0.000 1.127 105 F HN -0.169 nan 8.300 nan 0.000 0.588 106 M N 0.058 119.690 119.600 0.054 0.000 2.115 106 M HA 0.020 4.500 4.480 0.000 0.000 0.261 106 M C 0.994 177.239 176.300 -0.091 0.000 1.079 106 M CA 0.909 56.173 55.300 -0.059 0.000 1.143 106 M CB -1.379 31.245 32.600 0.041 0.000 1.332 106 M HN 0.135 nan 8.290 nan 0.000 0.421 107 C N 2.261 121.552 119.300 -0.015 0.000 3.690 107 C HA -0.132 4.328 4.460 0.000 0.000 0.295 107 C C 1.699 176.689 174.990 0.001 0.000 1.283 107 C CA -0.462 58.566 59.018 0.018 0.000 2.212 107 C CB -3.172 24.582 27.740 0.024 0.000 1.407 107 C HN 0.573 nan 8.230 nan 0.000 0.595 108 I N -0.016 120.534 120.570 -0.033 0.000 2.335 108 I HA -0.141 4.029 4.170 0.000 0.000 0.251 108 I C 2.091 178.158 176.117 -0.084 0.000 1.129 108 I CA 1.799 63.062 61.300 -0.062 0.000 1.402 108 I CB -0.550 37.399 38.000 -0.085 0.000 1.069 108 I HN 0.508 nan 8.210 nan 0.000 0.424 109 E N 0.159 120.294 120.200 -0.109 0.000 2.171 109 E HA -0.137 4.213 4.350 0.000 0.000 0.197 109 E C 0.529 176.879 176.600 -0.417 0.000 0.997 109 E CA 1.170 57.415 56.400 -0.259 0.000 0.810 109 E CB -0.165 29.344 29.700 -0.319 0.000 0.738 109 E HN 0.600 nan 8.360 nan 0.000 0.467 110 H N -0.566 118.454 119.070 -0.083 0.000 2.492 110 H HA 0.203 4.759 4.556 0.000 0.000 0.345 110 H C -0.729 174.569 175.328 -0.050 0.000 1.136 110 H CA -0.688 55.314 56.048 -0.077 0.000 1.202 110 H CB 1.310 31.025 29.762 -0.078 0.000 1.524 110 H HN -0.025 nan 8.280 nan 0.000 0.506 111 D N 1.675 122.130 120.400 0.092 0.000 2.359 111 D HA 0.017 4.657 4.640 0.000 0.000 0.230 111 D C 0.840 177.218 176.300 0.129 0.000 1.118 111 D CA -0.195 53.867 54.000 0.103 0.000 0.844 111 D CB 0.981 41.870 40.800 0.148 0.000 1.059 111 D HN 0.574 nan 8.370 nan 0.000 0.493 112 S N 2.368 118.111 115.700 0.071 0.000 2.520 112 S HA -0.168 4.302 4.470 0.000 0.000 0.249 112 S C 1.597 176.234 174.600 0.063 0.000 0.983 112 S CA 0.724 58.956 58.200 0.054 0.000 0.958 112 S CB -0.003 63.204 63.200 0.012 0.000 0.750 112 S HN 0.471 nan 8.310 nan 0.000 0.527 113 A N -0.495 122.372 122.820 0.078 0.000 2.238 113 A HA 0.402 4.722 4.320 0.000 0.000 0.210 113 A C 1.222 178.732 177.584 -0.123 0.000 1.179 113 A CA 0.084 52.110 52.037 -0.019 0.000 0.827 113 A CB -0.264 18.710 19.000 -0.043 0.000 0.856 113 A HN 0.575 nan 8.150 nan 0.000 0.488 114 Y N -0.555 119.764 120.300 0.032 0.000 2.527 114 Y HA 0.270 4.820 4.550 0.000 0.000 0.247 114 Y C 0.030 175.962 175.900 0.053 0.000 1.138 114 Y CA -0.146 57.977 58.100 0.038 0.000 1.228 114 Y CB 0.874 39.351 38.460 0.028 0.000 1.252 114 Y HN 0.265 nan 8.280 nan 0.000 0.531 115 E N 1.827 122.137 120.200 0.183 0.000 3.108 115 E HA 0.154 4.504 4.350 0.000 0.000 0.228 115 E C -2.100 174.578 176.600 0.130 0.000 1.176 115 E CA -1.575 54.913 56.400 0.146 0.000 0.881 115 E CB 0.951 30.719 29.700 0.112 0.000 1.354 115 E HN 0.056 nan 8.360 nan 0.000 0.400 116 P HA -0.261 nan 4.420 nan 0.000 0.219 116 P C 1.602 179.062 177.300 0.268 0.000 1.146 116 P CA 1.257 64.463 63.100 0.176 0.000 0.808 116 P CB 0.312 32.097 31.700 0.142 0.000 0.779 117 S N 0.143 116.045 115.700 0.338 0.000 2.387 117 S HA -0.215 4.255 4.470 0.000 0.000 0.230 117 S C 2.010 176.628 174.600 0.030 0.000 1.035 117 S CA 1.436 59.744 58.200 0.180 0.000 1.014 117 S CB -1.731 61.571 63.200 0.170 0.000 0.836 117 S HN 0.052 nan 8.310 nan 0.000 0.466 118 L N 2.925 124.166 121.223 0.030 0.000 1.971 118 L HA -0.128 4.212 4.340 0.000 0.000 0.215 118 L C 2.867 179.766 176.870 0.049 0.000 1.072 118 L CA 2.968 57.805 54.840 -0.006 0.000 0.758 118 L CB -1.817 40.221 42.059 -0.035 0.000 0.889 118 L HN 0.686 nan 8.230 nan 0.000 0.433 119 T N -2.465 112.127 114.554 0.064 0.000 2.737 119 T HA -0.366 3.984 4.350 0.000 0.000 0.269 119 T C 1.955 176.709 174.700 0.090 0.000 1.040 119 T CA 2.142 64.307 62.100 0.108 0.000 1.142 119 T CB -0.692 68.256 68.868 0.134 0.000 0.861 119 T HN 0.514 nan 8.240 nan 0.000 0.456 120 M N 0.233 119.853 119.600 0.035 0.000 2.086 120 M HA -0.156 4.324 4.480 0.000 0.000 0.261 120 M C 2.377 178.681 176.300 0.006 0.000 1.067 120 M CA 2.464 57.741 55.300 -0.038 0.000 1.116 120 M CB -0.413 32.072 32.600 -0.192 0.000 1.348 120 M HN 0.553 nan 8.290 nan 0.000 0.407 121 H N 0.130 119.158 119.070 -0.070 0.000 2.387 121 H HA -0.122 4.434 4.556 0.000 0.000 0.299 121 H C 1.932 177.280 175.328 0.033 0.000 1.099 121 H CA 2.300 58.323 56.048 -0.041 0.000 1.315 121 H CB 0.021 29.741 29.762 -0.070 0.000 1.380 121 H HN 0.384 nan 8.280 nan 0.000 0.513 122 R N -0.408 120.151 120.500 0.099 0.000 2.073 122 R HA -0.101 4.239 4.340 0.000 0.000 0.234 122 R C 2.461 178.915 176.300 0.256 0.000 1.134 122 R CA 1.435 57.639 56.100 0.172 0.000 0.952 122 R CB -0.465 29.951 30.300 0.194 0.000 0.850 122 R HN 0.201 nan 8.270 nan 0.000 0.433 123 V N 1.555 121.575 119.914 0.176 0.000 2.324 123 V HA -0.316 3.804 4.120 0.000 0.000 0.250 123 V C 2.614 178.816 176.094 0.179 0.000 1.060 123 V CA 1.817 64.188 62.300 0.119 0.000 1.042 123 V CB -0.625 31.201 31.823 0.006 0.000 0.650 123 V HN 0.305 nan 8.190 nan 0.000 0.450 124 R N 0.277 120.811 120.500 0.057 0.000 2.070 124 R HA -0.128 4.212 4.340 0.000 0.000 0.233 124 R C 2.227 178.553 176.300 0.043 0.000 1.137 124 R CA 2.040 58.149 56.100 0.015 0.000 0.945 124 R CB -0.980 29.245 30.300 -0.125 0.000 0.845 124 R HN 0.408 nan 8.270 nan 0.000 0.430 125 V N 2.180 122.061 119.914 -0.056 0.000 2.252 125 V HA -0.303 3.817 4.120 0.000 0.000 0.249 125 V C 2.646 178.798 176.094 0.096 0.000 1.056 125 V CA 1.849 64.160 62.300 0.017 0.000 1.022 125 V CB -0.555 31.310 31.823 0.069 0.000 0.641 125 V HN 0.221 nan 8.190 nan 0.000 0.445 126 I N -0.568 120.079 120.570 0.127 0.000 2.141 126 I HA -0.358 3.812 4.170 0.000 0.000 0.243 126 I C 2.408 178.471 176.117 -0.090 0.000 1.035 126 I CA 2.244 63.543 61.300 -0.001 0.000 1.302 126 I CB -1.413 36.589 38.000 0.003 0.000 1.006 126 I HN 0.339 nan 8.210 nan 0.000 0.413 127 Y N 1.203 121.511 120.300 0.014 0.000 2.165 127 Y HA -0.249 4.301 4.550 0.000 0.000 0.286 127 Y C 2.993 178.901 175.900 0.014 0.000 1.155 127 Y CA 2.057 60.161 58.100 0.007 0.000 1.164 127 Y CB -0.744 37.716 38.460 -0.000 0.000 0.978 127 Y HN 0.343 nan 8.280 nan 0.000 0.513 128 S N -0.474 115.315 115.700 0.148 0.000 2.474 128 S HA -0.175 4.295 4.470 0.000 0.000 0.235 128 S C 1.774 176.428 174.600 0.089 0.000 0.997 128 S CA 1.017 59.278 58.200 0.102 0.000 0.949 128 S CB -0.520 62.731 63.200 0.085 0.000 0.766 128 S HN 0.476 nan 8.310 nan 0.000 0.517 129 M N 0.564 120.211 119.600 0.078 0.000 2.419 129 M HA 0.152 4.632 4.480 0.000 0.000 0.264 129 M C 1.896 178.246 176.300 0.083 0.000 1.082 129 M CA 0.709 56.086 55.300 0.128 0.000 1.119 129 M CB -0.501 32.106 32.600 0.012 0.000 1.398 129 M HN 0.339 nan 8.290 nan 0.000 0.453 130 L N 0.146 121.372 121.223 0.004 0.000 2.042 130 L HA -0.262 4.078 4.340 0.000 0.000 0.210 130 L C 2.290 179.167 176.870 0.013 0.000 1.076 130 L CA 1.089 55.918 54.840 -0.019 0.000 0.749 130 L CB -0.785 41.254 42.059 -0.033 0.000 0.893 130 L HN 0.412 nan 8.230 nan 0.000 0.432 131 N N -0.426 118.290 118.700 0.028 0.000 2.207 131 N HA -0.142 4.598 4.740 0.000 0.000 0.182 131 N C 1.390 176.882 175.510 -0.029 0.000 1.020 131 N CA 1.142 54.201 53.050 0.015 0.000 0.858 131 N CB -0.032 38.472 38.487 0.028 0.000 0.991 131 N HN 0.300 nan 8.380 nan 0.000 0.427 132 D N -0.843 119.523 120.400 -0.057 0.000 2.234 132 D HA -0.033 4.607 4.640 0.000 0.000 0.205 132 D C 0.978 176.940 176.300 -0.563 0.000 0.962 132 D CA 0.973 54.809 54.000 -0.273 0.000 0.855 132 D CB 0.257 40.888 40.800 -0.282 0.000 0.951 132 D HN 0.363 nan 8.370 nan 0.000 0.500 133 Y N -0.919 119.342 120.300 -0.066 0.000 2.921 133 Y HA 0.089 4.639 4.550 0.000 0.000 0.246 133 Y C 2.460 178.215 175.900 -0.243 0.000 1.030 133 Y CA -0.223 57.769 58.100 -0.180 0.000 1.338 133 Y CB -0.428 37.886 38.460 -0.245 0.000 1.493 133 Y HN -0.092 nan 8.280 nan 0.000 0.452 134 C N 0.880 120.169 119.300 -0.018 0.000 2.411 134 C HA -0.104 4.356 4.460 0.000 0.000 0.279 134 C C 2.696 177.684 174.990 -0.004 0.000 1.288 134 C CA 1.420 60.405 59.018 -0.055 0.000 1.764 134 C CB -1.486 26.219 27.740 -0.059 0.000 1.974 134 C HN 0.576 nan 8.230 nan 0.000 0.498 135 A N -0.474 122.354 122.820 0.013 0.000 2.218 135 A HA 0.076 4.396 4.320 0.000 0.000 0.209 135 A C 0.778 178.399 177.584 0.062 0.000 1.168 135 A CA 0.409 52.469 52.037 0.038 0.000 0.804 135 A CB -0.163 18.858 19.000 0.034 0.000 0.834 135 A HN 0.674 nan 8.150 nan 0.000 0.482 136 K N 0.618 121.070 120.400 0.088 0.000 2.268 136 K HA 0.388 4.708 4.320 0.000 0.000 0.276 136 K C -0.627 176.115 176.600 0.236 0.000 1.080 136 K CA -0.054 56.316 56.287 0.138 0.000 0.910 136 K CB 1.099 33.684 32.500 0.141 0.000 1.163 136 K HN 0.408 nan 8.250 nan 0.000 0.465 137 M N 5.222 124.898 119.600 0.127 0.000 2.144 137 M HA 0.273 4.753 4.480 0.000 0.000 0.356 137 M C -0.554 175.759 176.300 0.023 0.000 1.217 137 M CA -0.547 54.811 55.300 0.097 0.000 1.087 137 M CB 0.506 33.156 32.600 0.084 0.000 1.609 137 M HN 0.521 nan 8.290 nan 0.000 0.467 138 I N 4.591 125.143 120.570 -0.031 0.000 2.587 138 I HA -0.006 4.164 4.170 0.000 0.000 0.284 138 I C 0.915 176.990 176.117 -0.069 0.000 1.134 138 I CA 0.160 61.391 61.300 -0.115 0.000 1.410 138 I CB 0.731 38.627 38.000 -0.173 0.000 1.392 138 I HN 0.877 nan 8.210 nan 0.000 0.545 139 S N 3.379 119.029 115.700 -0.083 0.000 2.649 139 S HA 0.142 4.612 4.470 0.000 0.000 0.246 139 S C 0.264 174.800 174.600 -0.107 0.000 1.057 139 S CA -0.481 57.679 58.200 -0.067 0.000 1.051 139 S CB 0.323 63.502 63.200 -0.034 0.000 1.018 139 S HN 0.719 nan 8.310 nan 0.000 0.569 140 E N 1.341 121.459 120.200 -0.137 0.000 2.325 140 E HA 0.520 4.870 4.350 0.000 0.000 0.248 140 E C -1.753 174.729 176.600 -0.196 0.000 0.912 140 E CA -0.489 55.823 56.400 -0.146 0.000 0.782 140 E CB 1.773 31.419 29.700 -0.091 0.000 1.264 140 E HN 0.178 nan 8.360 nan 0.000 0.417 141 V N 6.579 126.296 119.914 -0.328 0.000 2.398 141 V HA 0.435 4.555 4.120 0.000 0.000 0.286 141 V C -1.957 174.079 176.094 -0.096 0.000 1.026 141 V CA -1.598 60.518 62.300 -0.306 0.000 0.868 141 V CB 1.446 32.882 31.823 -0.644 0.000 0.982 141 V HN 0.647 nan 8.190 nan 0.000 0.443 142 P HA 0.396 nan 4.420 nan 0.000 0.285 142 P C -1.630 175.773 177.300 0.170 0.000 1.259 142 P CA -0.103 63.011 63.100 0.023 0.000 0.794 142 P CB 0.880 32.568 31.700 -0.021 0.000 0.940 143 Y N -0.683 119.650 120.300 0.054 0.000 2.625 143 Y HA 0.709 5.259 4.550 0.000 0.000 0.338 143 Y C -0.717 175.200 175.900 0.029 0.000 1.123 143 Y CA -1.252 56.891 58.100 0.071 0.000 1.046 143 Y CB 1.612 40.146 38.460 0.123 0.000 1.299 143 Y HN 0.512 nan 8.280 nan 0.000 0.464 144 E N 0.225 120.533 120.200 0.180 0.000 2.416 144 E HA 0.676 5.026 4.350 0.000 0.000 0.273 144 E C -1.519 175.148 176.600 0.113 0.000 0.935 144 E CA -1.326 55.117 56.400 0.071 0.000 0.784 144 E CB 2.125 31.844 29.700 0.030 0.000 1.301 144 E HN 0.523 nan 8.360 nan 0.000 0.454 145 S N 1.066 116.794 115.700 0.045 0.000 2.465 145 S HA 0.478 4.948 4.470 0.000 0.000 0.279 145 S C -0.409 174.157 174.600 -0.057 0.000 1.201 145 S CA -0.453 57.727 58.200 -0.032 0.000 1.053 145 S CB 0.573 63.736 63.200 -0.060 0.000 0.953 145 S HN 0.600 nan 8.310 nan 0.000 0.488 146 S N 2.280 117.901 115.700 -0.131 0.000 2.656 146 S HA 0.841 5.311 4.470 0.000 0.000 0.273 146 S C -1.419 173.083 174.600 -0.162 0.000 1.168 146 S CA -0.907 57.286 58.200 -0.011 0.000 0.817 146 S CB 0.626 63.879 63.200 0.088 0.000 1.146 146 S HN 0.330 nan 8.310 nan 0.000 0.475 147 F N -0.128 119.833 119.950 0.018 0.000 2.575 147 F HA 0.780 5.307 4.527 0.000 0.000 0.330 147 F C -0.204 175.599 175.800 0.007 0.000 1.056 147 F CA -1.247 56.760 58.000 0.011 0.000 0.964 147 F CB 1.982 40.987 39.000 0.008 0.000 1.258 147 F HN 0.416 nan 8.300 nan 0.000 0.484 148 V N 1.884 121.916 119.914 0.197 0.000 2.380 148 V HA 0.626 4.746 4.120 0.000 0.000 0.268 148 V C 0.318 176.471 176.094 0.098 0.000 1.008 148 V CA 0.072 62.434 62.300 0.102 0.000 0.823 148 V CB 0.277 32.129 31.823 0.049 0.000 1.053 148 V HN 1.179 nan 8.190 nan 0.000 0.446 149 G N 4.100 112.953 108.800 0.089 0.000 2.520 149 G HA2 -0.262 3.698 3.960 0.000 0.000 0.248 149 G HA3 -0.262 3.698 3.960 0.000 0.000 0.248 149 G C 0.669 175.619 174.900 0.083 0.000 1.161 149 G CA 0.669 45.804 45.100 0.059 0.000 0.946 149 G HN 0.595 nan 8.290 nan 0.000 0.565 150 E N -0.609 119.637 120.200 0.076 0.000 2.318 150 E HA 0.206 4.556 4.350 0.000 0.000 0.193 150 E C 1.276 177.983 176.600 0.179 0.000 0.998 150 E CA 0.062 56.518 56.400 0.093 0.000 0.859 150 E CB -0.000 29.732 29.700 0.053 0.000 0.812 150 E HN 0.479 nan 8.360 nan 0.000 0.492 151 L N 3.020 124.327 121.223 0.140 0.000 2.418 151 L HA 0.221 4.561 4.340 0.000 0.000 0.274 151 L C -2.480 174.459 176.870 0.116 0.000 1.135 151 L CA -1.974 52.933 54.840 0.112 0.000 0.870 151 L CB 0.565 42.659 42.059 0.059 0.000 1.154 151 L HN -0.139 nan 8.230 nan 0.000 0.462 152 P HA 0.336 nan 4.420 nan 0.000 0.285 152 P C -1.305 175.876 177.300 -0.199 0.000 1.259 152 P CA -0.259 62.673 63.100 -0.280 0.000 0.794 152 P CB 1.645 33.101 31.700 -0.407 0.000 0.940 153 V N -0.170 119.611 119.914 -0.222 0.000 3.159 153 V HA 0.616 4.736 4.120 0.000 0.000 0.308 153 V C -0.776 175.245 176.094 -0.123 0.000 1.190 153 V CA -1.104 61.118 62.300 -0.129 0.000 1.037 153 V CB 2.576 34.364 31.823 -0.058 0.000 1.060 153 V HN 0.212 nan 8.190 nan 0.000 0.437 154 K N 2.711 123.051 120.400 -0.101 0.000 2.316 154 K HA 0.595 4.915 4.320 0.000 0.000 0.267 154 K C -0.187 176.406 176.600 -0.011 0.000 1.025 154 K CA 0.041 56.294 56.287 -0.057 0.000 0.896 154 K CB 1.585 33.968 32.500 -0.196 0.000 1.124 154 K HN 1.097 nan 8.250 nan 0.000 0.451 155 S N 0.416 116.162 115.700 0.077 0.000 2.549 155 S HA 0.448 4.918 4.470 0.000 0.000 0.297 155 S C 0.238 174.953 174.600 0.192 0.000 1.115 155 S CA -0.898 57.372 58.200 0.117 0.000 1.059 155 S CB 1.474 64.736 63.200 0.104 0.000 1.046 155 S HN 0.166 nan 8.310 nan 0.000 0.506 156 V N 2.505 122.551 119.914 0.220 0.000 2.655 156 V HA 0.133 4.253 4.120 0.000 0.000 0.300 156 V C 0.691 176.878 176.094 0.156 0.000 1.044 156 V CA -0.063 62.378 62.300 0.236 0.000 1.095 156 V CB 0.691 32.659 31.823 0.242 0.000 0.952 156 V HN 1.028 nan 8.190 nan 0.000 0.485 157 T N 7.193 121.823 114.554 0.127 0.000 3.185 157 T HA 0.248 4.598 4.350 0.000 0.000 0.287 157 T C 1.397 176.120 174.700 0.038 0.000 1.051 157 T CA -0.142 62.000 62.100 0.070 0.000 1.051 157 T CB -0.179 68.715 68.868 0.044 0.000 1.034 157 T HN 0.449 nan 8.240 nan 0.000 0.685 158 L N 2.137 123.370 121.223 0.018 0.000 2.129 158 L HA -0.187 4.153 4.340 0.000 0.000 0.212 158 L C 2.754 179.616 176.870 -0.013 0.000 1.087 158 L CA 1.113 55.934 54.840 -0.031 0.000 0.757 158 L CB -0.592 41.430 42.059 -0.063 0.000 0.896 158 L HN 0.518 nan 8.230 nan 0.000 0.434 159 N N 1.073 119.775 118.700 0.004 0.000 2.184 159 N HA -0.250 4.490 4.740 0.000 0.000 0.190 159 N C 1.308 176.821 175.510 0.005 0.000 1.011 159 N CA 1.608 54.661 53.050 0.005 0.000 0.867 159 N CB -0.059 38.433 38.487 0.009 0.000 0.993 159 N HN 0.276 nan 8.380 nan 0.000 0.433 160 K N -0.280 120.125 120.400 0.008 0.000 2.493 160 K HA 0.216 4.536 4.320 0.000 0.000 0.207 160 K C 0.005 176.617 176.600 0.021 0.000 1.033 160 K CA -0.085 56.209 56.287 0.010 0.000 1.161 160 K CB 0.397 32.900 32.500 0.005 0.000 0.873 160 K HN 0.267 nan 8.250 nan 0.000 0.491 161 L N 0.162 121.397 121.223 0.020 0.000 2.928 161 L HA 0.204 4.544 4.340 0.000 0.000 0.246 161 L C 1.033 177.918 176.870 0.025 0.000 1.239 161 L CA -0.396 54.469 54.840 0.042 0.000 1.035 161 L CB -0.172 41.911 42.059 0.040 0.000 1.360 161 L HN 0.358 nan 8.230 nan 0.000 0.529 162 G N 2.164 110.976 108.800 0.020 0.000 2.622 162 G HA2 -0.400 3.560 3.960 0.000 0.000 0.307 162 G HA3 -0.400 3.560 3.960 0.000 0.000 0.307 162 G C 0.558 175.458 174.900 -0.001 0.000 1.226 162 G CA 0.503 45.614 45.100 0.017 0.000 0.997 162 G HN 0.622 nan 8.290 nan 0.000 0.551 163 D N 0.882 121.278 120.400 -0.007 0.000 2.344 163 D HA 0.096 4.736 4.640 0.000 0.000 0.242 163 D C 1.314 177.558 176.300 -0.093 0.000 1.159 163 D CA 0.218 54.204 54.000 -0.024 0.000 0.859 163 D CB 0.109 40.906 40.800 -0.005 0.000 0.925 163 D HN 0.283 nan 8.370 nan 0.000 0.510 164 R N 0.710 121.134 120.500 -0.127 0.000 2.629 164 R HA 0.069 4.409 4.340 0.000 0.000 0.386 164 R C 0.256 176.442 176.300 -0.190 0.000 1.071 164 R CA -0.344 55.606 56.100 -0.249 0.000 1.104 164 R CB -0.417 29.640 30.300 -0.405 0.000 1.370 164 R HN 0.060 nan 8.270 nan 0.000 0.574 165 N N 2.060 120.703 118.700 -0.095 0.000 2.971 165 N HA -0.026 4.714 4.740 0.000 0.000 0.294 165 N C 1.102 176.601 175.510 -0.018 0.000 1.210 165 N CA 0.040 53.057 53.050 -0.055 0.000 1.157 165 N CB 0.406 38.886 38.487 -0.011 0.000 1.450 165 N HN -0.049 nan 8.380 nan 0.000 0.527 166 M N 0.181 119.745 119.600 -0.060 0.000 2.192 166 M HA -0.201 4.279 4.480 0.000 0.000 0.256 166 M C 1.049 177.464 176.300 0.192 0.000 1.076 166 M CA 1.251 56.614 55.300 0.107 0.000 1.075 166 M CB -0.687 31.947 32.600 0.057 0.000 1.368 166 M HN 0.326 nan 8.290 nan 0.000 0.406 167 D N 0.167 120.613 120.400 0.077 0.000 2.097 167 D HA -0.044 4.596 4.640 0.000 0.000 0.195 167 D C 2.025 178.336 176.300 0.018 0.000 0.989 167 D CA 1.811 55.837 54.000 0.043 0.000 0.827 167 D CB -0.065 40.749 40.800 0.024 0.000 0.966 167 D HN 0.375 nan 8.370 nan 0.000 0.456 168 A N 0.657 123.498 122.820 0.036 0.000 1.930 168 A HA -0.067 4.253 4.320 0.000 0.000 0.217 168 A C 2.372 180.022 177.584 0.110 0.000 1.175 168 A CA 0.585 52.643 52.037 0.036 0.000 0.627 168 A CB -0.763 18.259 19.000 0.037 0.000 0.815 168 A HN 0.228 nan 8.150 nan 0.000 0.443 169 L N -0.802 120.535 121.223 0.191 0.000 2.187 169 L HA -0.237 4.103 4.340 0.000 0.000 0.213 169 L C 2.844 179.919 176.870 0.341 0.000 1.100 169 L CA 1.123 56.184 54.840 0.367 0.000 0.765 169 L CB -0.293 42.009 42.059 0.404 0.000 0.904 169 L HN 0.486 nan 8.230 nan 0.000 0.437 170 A N -0.975 121.833 122.820 -0.021 0.000 2.072 170 A HA -0.117 4.203 4.320 0.000 0.000 0.216 170 A C 1.871 179.347 177.584 -0.179 0.000 1.156 170 A CA 0.534 52.306 52.037 -0.442 0.000 0.701 170 A CB -0.235 18.273 19.000 -0.819 0.000 0.816 170 A HN 0.425 nan 8.150 nan 0.000 0.458 171 E N -0.442 119.699 120.200 -0.099 0.000 2.510 171 E HA -0.154 4.196 4.350 0.000 0.000 0.202 171 E C 0.998 177.497 176.600 -0.167 0.000 1.072 171 E CA 0.348 56.669 56.400 -0.132 0.000 0.883 171 E CB -0.213 29.401 29.700 -0.143 0.000 0.818 171 E HN 0.683 nan 8.360 nan 0.000 0.548 172 H N 0.011 119.053 119.070 -0.046 0.000 2.512 172 H HA 0.066 4.622 4.556 0.000 0.000 0.279 172 H C 1.110 176.399 175.328 -0.065 0.000 0.999 172 H CA 0.249 56.270 56.048 -0.045 0.000 1.283 172 H CB 0.235 29.981 29.762 -0.026 0.000 1.421 172 H HN 0.102 nan 8.280 nan 0.000 0.554 173 L N 0.679 121.927 121.223 0.043 0.000 2.453 173 L HA -0.148 4.192 4.340 0.000 0.000 0.274 173 L C 1.897 178.710 176.870 -0.094 0.000 1.270 173 L CA -0.032 54.802 54.840 -0.011 0.000 0.822 173 L CB 0.574 42.603 42.059 -0.051 0.000 1.091 173 L HN 0.059 nan 8.230 nan 0.000 0.546 174 L N -0.069 121.055 121.223 -0.165 0.000 1.993 174 L HA -0.005 4.335 4.340 0.000 0.000 0.206 174 L C 0.390 177.015 176.870 -0.409 0.000 1.074 174 L CA 1.098 55.718 54.840 -0.365 0.000 0.746 174 L CB -0.178 41.532 42.059 -0.581 0.000 0.896 174 L HN 0.278 nan 8.230 nan 0.000 0.435 175 F N -0.026 119.888 119.950 -0.061 0.000 2.385 175 F HA 0.094 4.621 4.527 0.000 0.000 0.336 175 F C 1.536 177.303 175.800 -0.054 0.000 1.100 175 F CA -0.311 57.672 58.000 -0.027 0.000 1.116 175 F CB 1.086 40.108 39.000 0.038 0.000 1.166 175 F HN 0.006 nan 8.300 nan 0.000 0.511 176 E N 1.748 122.094 120.200 0.243 0.000 2.114 176 E HA -0.320 4.030 4.350 0.000 0.000 0.199 176 E C 2.109 178.784 176.600 0.125 0.000 1.008 176 E CA 2.001 58.479 56.400 0.131 0.000 0.810 176 E CB -0.133 29.641 29.700 0.123 0.000 0.739 176 E HN 0.791 nan 8.360 nan 0.000 0.456 177 H N -0.068 119.053 119.070 0.085 0.000 2.387 177 H HA -0.094 4.462 4.556 0.000 0.000 0.299 177 H C 1.431 176.787 175.328 0.047 0.000 1.090 177 H CA 1.393 57.468 56.048 0.045 0.000 1.332 177 H CB -0.444 29.331 29.762 0.021 0.000 1.386 177 H HN 0.200 nan 8.280 nan 0.000 0.516 178 D N 1.102 121.236 120.400 -0.444 0.000 2.144 178 D HA -0.083 4.557 4.640 0.000 0.000 0.199 178 D C 2.456 178.672 176.300 -0.140 0.000 0.984 178 D CA 0.972 54.804 54.000 -0.281 0.000 0.834 178 D CB 0.107 40.759 40.800 -0.247 0.000 0.955 178 D HN 0.276 nan 8.370 nan 0.000 0.465 179 V N 0.927 120.772 119.914 -0.114 0.000 2.229 179 V HA -0.224 3.896 4.120 0.000 0.000 0.243 179 V C 2.767 178.810 176.094 -0.085 0.000 1.042 179 V CA 1.088 63.317 62.300 -0.118 0.000 1.000 179 V CB -0.672 31.100 31.823 -0.086 0.000 0.637 179 V HN 0.020 nan 8.190 nan 0.000 0.446 180 V N 0.935 120.830 119.914 -0.032 0.000 2.250 180 V HA -0.363 3.757 4.120 0.000 0.000 0.253 180 V C 2.369 178.453 176.094 -0.016 0.000 1.065 180 V CA 2.510 64.804 62.300 -0.010 0.000 1.039 180 V CB -0.995 30.842 31.823 0.024 0.000 0.647 180 V HN 0.595 nan 8.190 nan 0.000 0.446 181 N N 0.211 118.905 118.700 -0.009 0.000 2.069 181 N HA -0.189 4.551 4.740 0.000 0.000 0.191 181 N C 1.930 177.422 175.510 -0.030 0.000 1.031 181 N CA 1.922 54.967 53.050 -0.009 0.000 0.852 181 N CB -0.483 38.011 38.487 0.011 0.000 1.018 181 N HN 0.536 nan 8.380 nan 0.000 0.423 182 A N 1.655 124.440 122.820 -0.057 0.000 1.877 182 A HA -0.182 4.138 4.320 0.000 0.000 0.216 182 A C 2.164 179.730 177.584 -0.030 0.000 1.186 182 A CA 1.343 53.346 52.037 -0.056 0.000 0.620 182 A CB -0.696 18.142 19.000 -0.272 0.000 0.822 182 A HN 0.363 nan 8.150 nan 0.000 0.443 183 Q N -0.805 118.957 119.800 -0.063 0.000 2.135 183 Q HA -0.249 4.091 4.340 0.000 0.000 0.204 183 Q C 2.300 178.303 176.000 0.006 0.000 0.981 183 Q CA 1.826 57.619 55.803 -0.017 0.000 0.856 183 Q CB -0.266 28.456 28.738 -0.028 0.000 0.902 183 Q HN 0.862 nan 8.270 nan 0.000 0.425 184 R N 0.762 121.252 120.500 -0.017 0.000 2.093 184 R HA -0.064 4.276 4.340 0.000 0.000 0.224 184 R C 1.557 177.809 176.300 -0.081 0.000 1.101 184 R CA 1.162 57.247 56.100 -0.025 0.000 0.979 184 R CB -0.091 30.197 30.300 -0.020 0.000 0.877 184 R HN 0.180 nan 8.270 nan 0.000 0.441 185 E N 0.567 120.694 120.200 -0.123 0.000 2.204 185 E HA -0.137 4.213 4.350 0.000 0.000 0.195 185 E C 1.303 177.709 176.600 -0.322 0.000 0.990 185 E CA 0.902 57.110 56.400 -0.320 0.000 0.821 185 E CB -0.038 29.499 29.700 -0.272 0.000 0.750 185 E HN 0.432 nan 8.360 nan 0.000 0.477 186 N N 0.860 119.543 118.700 -0.028 0.000 2.188 186 N HA -0.095 4.645 4.740 0.000 0.000 0.184 186 N C 1.467 177.069 175.510 0.153 0.000 1.018 186 N CA 0.837 53.997 53.050 0.182 0.000 0.858 186 N CB -0.122 38.527 38.487 0.270 0.000 0.989 186 N HN 0.113 nan 8.380 nan 0.000 0.426 187 R N 0.067 120.602 120.500 0.059 0.000 2.280 187 R HA 0.135 4.475 4.340 0.000 0.000 0.207 187 R C 1.585 177.899 176.300 0.023 0.000 1.043 187 R CA 0.445 56.585 56.100 0.066 0.000 1.006 187 R CB 0.014 30.344 30.300 0.050 0.000 0.885 187 R HN 0.312 nan 8.270 nan 0.000 0.467 188 I N -0.967 119.551 120.570 -0.086 0.000 2.628 188 I HA -0.092 4.078 4.170 0.000 0.000 0.255 188 I C 1.224 177.375 176.117 0.057 0.000 1.119 188 I CA 0.661 61.902 61.300 -0.098 0.000 1.448 188 I CB 0.022 37.847 38.000 -0.292 0.000 1.133 188 I HN -0.010 nan 8.210 nan 0.000 0.438 189 F N 0.147 120.057 119.950 -0.067 0.000 2.335 189 F HA 0.033 4.560 4.527 0.000 0.000 0.296 189 F C 0.942 176.599 175.800 -0.237 0.000 1.091 189 F CA -0.124 57.753 58.000 -0.205 0.000 1.399 189 F CB -0.988 37.793 39.000 -0.365 0.000 1.067 189 F HN -0.042 nan 8.300 nan 0.000 0.520 190 Y N 2.181 122.609 120.300 0.213 0.000 2.817 190 Y HA 0.323 4.873 4.550 0.000 0.000 0.339 190 Y C 0.395 176.369 175.900 0.122 0.000 1.281 190 Y CA -0.715 57.480 58.100 0.157 0.000 1.564 190 Y CB -0.551 37.996 38.460 0.144 0.000 1.628 190 Y HN 0.132 nan 8.280 nan 0.000 0.489 191 Q N 0.202 120.121 119.800 0.198 0.000 2.484 191 Q HA 0.514 4.854 4.340 0.000 0.000 0.285 191 Q C -0.948 175.059 176.000 0.011 0.000 1.097 191 Q CA -1.408 54.460 55.803 0.108 0.000 0.802 191 Q CB 1.888 30.658 28.738 0.054 0.000 1.444 191 Q HN 0.326 nan 8.270 nan 0.000 0.429 192 R N 1.594 122.019 120.500 -0.124 0.000 2.234 192 R HA 0.340 4.680 4.340 0.000 0.000 0.324 192 R C -1.119 174.986 176.300 -0.325 0.000 1.054 192 R CA -0.001 55.837 56.100 -0.435 0.000 0.912 192 R CB 0.656 30.506 30.300 -0.751 0.000 1.030 192 R HN 0.665 nan 8.270 nan 0.000 0.455 193 K N 1.164 121.411 120.400 -0.256 0.000 2.352 193 K HA 0.253 4.573 4.320 0.000 0.000 0.240 193 K C -0.425 176.154 176.600 -0.036 0.000 1.017 193 K CA -0.847 55.372 56.287 -0.113 0.000 0.851 193 K CB 1.854 34.310 32.500 -0.073 0.000 1.261 193 K HN 0.741 nan 8.250 nan 0.000 0.451 194 S N 0.302 115.994 115.700 -0.013 0.000 2.560 194 S HA 0.264 4.734 4.470 0.000 0.000 0.284 194 S C 0.062 174.600 174.600 -0.103 0.000 1.327 194 S CA -0.926 57.225 58.200 -0.081 0.000 1.055 194 S CB 0.887 64.037 63.200 -0.083 0.000 0.868 194 S HN 0.598 nan 8.310 nan 0.000 0.506 195 A N 3.896 126.628 122.820 -0.147 0.000 2.409 195 A HA 0.505 4.825 4.320 0.000 0.000 0.262 195 A C -0.367 177.166 177.584 -0.084 0.000 1.113 195 A CA -1.588 50.397 52.037 -0.087 0.000 0.790 195 A CB -0.137 18.832 19.000 -0.051 0.000 1.046 195 A HN 0.831 nan 8.150 nan 0.000 0.496 196 P HA 0.133 nan 4.420 nan 0.000 0.222 196 P C 0.251 177.506 177.300 -0.075 0.000 1.153 196 P CA 1.615 64.675 63.100 -0.066 0.000 0.798 196 P CB 0.237 31.902 31.700 -0.057 0.000 0.796 197 A N -1.253 121.509 122.820 -0.097 0.000 2.590 197 A HA 0.403 4.723 4.320 0.000 0.000 0.294 197 A C -1.010 176.454 177.584 -0.199 0.000 1.046 197 A CA -0.664 51.302 52.037 -0.119 0.000 0.684 197 A CB 0.809 19.752 19.000 -0.095 0.000 1.279 197 A HN -0.178 nan 8.150 nan 0.000 0.415 198 V N 2.903 122.665 119.914 -0.252 0.000 2.557 198 V HA 0.130 4.250 4.120 0.000 0.000 0.301 198 V C -0.661 175.217 176.094 -0.360 0.000 1.026 198 V CA 0.415 62.441 62.300 -0.457 0.000 1.137 198 V CB 0.471 32.083 31.823 -0.352 0.000 0.917 198 V HN 0.874 nan 8.190 nan 0.000 0.484 199 P HA 0.008 nan 4.420 nan 0.000 0.221 199 P C 0.247 177.429 177.300 -0.196 0.000 1.155 199 P CA 0.620 63.585 63.100 -0.225 0.000 0.812 199 P CB 0.402 32.017 31.700 -0.142 0.000 0.801 200 V N 2.648 122.415 119.914 -0.245 0.000 2.383 200 V HA 0.166 4.286 4.120 0.000 0.000 0.275 200 V C 0.657 176.510 176.094 -0.401 0.000 1.036 200 V CA -0.473 61.633 62.300 -0.324 0.000 0.889 200 V CB 1.429 33.036 31.823 -0.360 0.000 0.985 200 V HN -0.043 nan 8.190 nan 0.000 0.459 201 I N 5.859 126.208 120.570 -0.368 0.000 2.313 201 I HA 0.346 4.516 4.170 0.000 0.000 0.286 201 I C -0.171 175.804 176.117 -0.236 0.000 1.091 201 I CA -0.097 61.058 61.300 -0.241 0.000 1.216 201 I CB 0.089 38.008 38.000 -0.134 0.000 1.434 201 I HN 0.430 nan 8.210 nan 0.000 0.487 202 F N 2.990 122.931 119.950 -0.016 0.000 2.438 202 F HA 0.311 4.838 4.527 0.000 0.000 0.356 202 F C 1.706 177.496 175.800 -0.016 0.000 1.099 202 F CA -0.258 57.730 58.000 -0.019 0.000 1.185 202 F CB 1.335 40.328 39.000 -0.011 0.000 1.115 202 F HN 0.524 nan 8.300 nan 0.000 0.526 203 G N 1.856 110.751 108.800 0.159 0.000 2.813 203 G HA2 -0.074 3.886 3.960 0.000 0.000 0.209 203 G HA3 -0.074 3.886 3.960 0.000 0.000 0.209 203 G C 0.211 175.157 174.900 0.077 0.000 1.150 203 G CA -0.234 44.917 45.100 0.084 0.000 0.785 203 G HN 0.517 nan 8.290 nan 0.000 0.535 204 D N 0.760 121.217 120.400 0.095 0.000 2.378 204 D HA 0.093 4.733 4.640 0.000 0.000 0.238 204 D C -0.650 175.673 176.300 0.040 0.000 1.180 204 D CA 0.252 54.283 54.000 0.053 0.000 0.895 204 D CB 1.087 41.902 40.800 0.026 0.000 1.192 204 D HN -0.004 nan 8.370 nan 0.000 0.438 205 D N 1.014 121.431 120.400 0.028 0.000 2.412 205 D HA 0.328 4.968 4.640 0.000 0.000 0.224 205 D C -0.683 175.621 176.300 0.006 0.000 1.093 205 D CA -0.325 53.687 54.000 0.020 0.000 0.850 205 D CB 0.138 40.953 40.800 0.024 0.000 1.046 205 D HN 0.211 nan 8.370 nan 0.000 0.507 206 L N 1.754 122.968 121.223 -0.015 0.000 2.286 206 L HA 0.474 4.814 4.340 0.000 0.000 0.265 206 L C 0.723 177.565 176.870 -0.048 0.000 1.012 206 L CA -1.195 53.614 54.840 -0.051 0.000 0.818 206 L CB 1.483 43.468 42.059 -0.123 0.000 1.337 206 L HN 0.202 nan 8.230 nan 0.000 0.438 207 E N 1.248 121.407 120.200 -0.068 0.000 2.384 207 E HA 0.035 4.385 4.350 0.000 0.000 0.266 207 E C -1.707 174.857 176.600 -0.059 0.000 1.012 207 E CA -1.436 54.935 56.400 -0.049 0.000 0.901 207 E CB 0.827 30.497 29.700 -0.049 0.000 0.967 207 E HN 0.310 nan 8.360 nan 0.000 0.435 208 P HA -0.299 nan 4.420 nan 0.000 0.216 208 P C 1.091 178.369 177.300 -0.036 0.000 1.154 208 P CA 1.816 64.899 63.100 -0.028 0.000 0.865 208 P CB 0.134 31.824 31.700 -0.016 0.000 0.789 209 A N -1.080 121.717 122.820 -0.038 0.000 1.958 209 A HA -0.200 4.120 4.320 0.000 0.000 0.221 209 A C 2.341 179.892 177.584 -0.056 0.000 1.178 209 A CA 2.295 54.310 52.037 -0.038 0.000 0.642 209 A CB -1.502 17.480 19.000 -0.030 0.000 0.816 209 A HN 0.248 nan 8.150 nan 0.000 0.453 210 V N -1.042 118.808 119.914 -0.107 0.000 3.645 210 V HA 0.179 4.299 4.120 0.000 0.000 0.275 210 V C 1.030 177.027 176.094 -0.161 0.000 1.356 210 V CA -0.048 62.149 62.300 -0.172 0.000 1.051 210 V CB -0.477 31.133 31.823 -0.356 0.000 0.828 210 V HN 0.573 nan 8.190 nan 0.000 0.441 211 R N 1.966 122.401 120.500 -0.107 0.000 2.502 211 R HA -0.000 4.340 4.340 0.000 0.000 0.292 211 R C -0.041 176.281 176.300 0.037 0.000 0.998 211 R CA -0.019 56.056 56.100 -0.043 0.000 1.056 211 R CB 0.306 30.593 30.300 -0.022 0.000 0.939 211 R HN 0.342 nan 8.270 nan 0.000 0.411 212 E N 4.412 124.685 120.200 0.122 0.000 2.452 212 E HA -0.063 4.287 4.350 0.000 0.000 0.261 212 E C -0.024 176.671 176.600 0.158 0.000 0.987 212 E CA 0.600 57.139 56.400 0.231 0.000 0.926 212 E CB 0.605 30.556 29.700 0.418 0.000 0.934 212 E HN 0.584 nan 8.360 nan 0.000 0.452 213 R N 0.621 121.221 120.500 0.167 0.000 2.867 213 R HA 0.706 5.046 4.340 0.000 0.000 0.268 213 R C 0.634 176.997 176.300 0.105 0.000 1.014 213 R CA -0.386 55.767 56.100 0.088 0.000 0.946 213 R CB 0.825 31.154 30.300 0.049 0.000 1.208 213 R HN 0.303 nan 8.270 nan 0.000 0.477 214 A N 1.812 124.642 122.820 0.018 0.000 1.859 214 A HA -0.295 4.025 4.320 0.000 0.000 0.218 214 A C 1.493 179.099 177.584 0.038 0.000 1.209 214 A CA 1.987 54.018 52.037 -0.010 0.000 0.639 214 A CB -1.231 17.739 19.000 -0.049 0.000 0.835 214 A HN 0.946 nan 8.150 nan 0.000 0.450 215 N N 0.537 119.230 118.700 -0.012 0.000 2.724 215 N HA -0.068 4.672 4.740 0.000 0.000 0.198 215 N C 0.997 176.469 175.510 -0.064 0.000 1.301 215 N CA 0.957 53.962 53.050 -0.076 0.000 0.942 215 N CB -0.356 38.092 38.487 -0.064 0.000 1.033 215 N HN 0.594 nan 8.380 nan 0.000 0.447 216 L N -1.172 120.085 121.223 0.056 0.000 2.554 216 L HA 0.212 4.552 4.340 0.000 0.000 0.225 216 L C -0.056 176.680 176.870 -0.224 0.000 1.104 216 L CA 0.112 54.912 54.840 -0.067 0.000 0.866 216 L CB -0.010 42.006 42.059 -0.073 0.000 1.047 216 L HN 0.000 nan 8.230 nan 0.000 0.468 217 Y N -1.897 118.315 120.300 -0.145 0.000 2.587 217 Y HA 0.543 5.093 4.550 0.000 0.000 0.337 217 Y C -0.362 175.379 175.900 -0.264 0.000 1.065 217 Y CA -1.165 56.875 58.100 -0.101 0.000 1.126 217 Y CB 1.147 39.576 38.460 -0.052 0.000 1.279 217 Y HN -0.127 nan 8.280 nan 0.000 0.489 218 H N -0.491 118.640 119.070 0.101 0.000 2.851 218 H HA 0.531 5.087 4.556 0.000 0.000 0.372 218 H C -1.037 174.233 175.328 -0.097 0.000 1.158 218 H CA -1.226 54.758 56.048 -0.107 0.000 1.159 218 H CB 1.853 31.421 29.762 -0.324 0.000 1.757 218 H HN 0.558 nan 8.280 nan 0.000 0.546 219 R N 2.596 123.057 120.500 -0.065 0.000 2.295 219 R HA 0.387 4.727 4.340 0.000 0.000 0.324 219 R C -1.548 174.696 176.300 -0.093 0.000 0.968 219 R CA -0.682 55.426 56.100 0.013 0.000 0.837 219 R CB 0.604 30.914 30.300 0.017 0.000 1.133 219 R HN 0.402 nan 8.270 nan 0.000 0.450 220 Y N 1.264 121.591 120.300 0.045 0.000 2.334 220 Y HA 0.326 4.876 4.550 0.000 0.000 0.328 220 Y C 0.090 176.035 175.900 0.075 0.000 1.130 220 Y CA -0.906 57.225 58.100 0.052 0.000 1.163 220 Y CB 2.226 40.720 38.460 0.056 0.000 1.207 220 Y HN 0.558 nan 8.280 nan 0.000 0.471 221 S N 2.849 118.696 115.700 0.246 0.000 2.448 221 S HA 0.569 5.039 4.470 0.000 0.000 0.320 221 S C -0.404 174.430 174.600 0.390 0.000 1.071 221 S CA -0.813 57.520 58.200 0.221 0.000 1.113 221 S CB 0.154 63.427 63.200 0.120 0.000 0.972 221 S HN 0.523 nan 8.310 nan 0.000 0.465 222 V N 0.880 121.017 119.914 0.372 0.000 2.881 222 V HA 0.732 4.852 4.120 0.000 0.000 0.316 222 V C -2.580 173.813 176.094 0.498 0.000 1.070 222 V CA -2.895 59.659 62.300 0.422 0.000 0.976 222 V CB 1.569 33.585 31.823 0.321 0.000 1.038 222 V HN 0.529 nan 8.190 nan 0.000 0.446 223 P HA 0.230 nan 4.420 nan 0.000 0.232 223 P C -1.359 175.971 177.300 0.050 0.000 1.738 223 P CA 0.440 63.614 63.100 0.123 0.000 0.948 223 P CB -0.922 30.538 31.700 -0.400 0.000 1.943 224 Y N -0.704 119.733 120.300 0.229 0.000 2.492 224 Y HA 0.315 4.865 4.550 0.000 0.000 0.346 224 Y C 0.868 176.842 175.900 0.123 0.000 0.997 224 Y CA -0.941 57.304 58.100 0.242 0.000 1.025 224 Y CB 1.372 39.936 38.460 0.173 0.000 1.263 224 Y HN 0.135 nan 8.280 nan 0.000 0.454 225 H N 3.065 122.208 119.070 0.121 0.000 2.629 225 H HA 0.070 4.626 4.556 0.000 0.000 0.357 225 H C 0.701 176.033 175.328 0.006 0.000 1.121 225 H CA 0.358 56.282 56.048 -0.206 0.000 1.406 225 H CB 1.485 30.908 29.762 -0.566 0.000 1.456 225 H HN 0.804 nan 8.280 nan 0.000 0.579 226 Q N 3.504 123.133 119.800 -0.284 0.000 2.096 226 Q HA -0.166 4.174 4.340 0.000 0.000 0.208 226 Q C 2.321 178.460 176.000 0.231 0.000 0.993 226 Q CA 1.127 56.927 55.803 -0.005 0.000 0.862 226 Q CB -0.026 28.656 28.738 -0.094 0.000 0.915 226 Q HN 0.648 nan 8.270 nan 0.000 0.416 227 I N 1.309 122.169 120.570 0.483 0.000 2.181 227 I HA -0.287 3.883 4.170 0.000 0.000 0.247 227 I C 2.052 178.431 176.117 0.436 0.000 1.081 227 I CA 1.554 63.127 61.300 0.456 0.000 1.340 227 I CB -1.206 37.059 38.000 0.441 0.000 1.036 227 I HN 0.351 nan 8.210 nan 0.000 0.417 228 E N 0.297 120.765 120.200 0.447 0.000 2.107 228 E HA -0.127 4.223 4.350 0.000 0.000 0.191 228 E C 2.321 179.126 176.600 0.341 0.000 0.982 228 E CA 0.837 57.500 56.400 0.438 0.000 0.809 228 E CB -0.127 29.899 29.700 0.542 0.000 0.756 228 E HN 0.465 nan 8.360 nan 0.000 0.459 229 L N 0.554 121.928 121.223 0.251 0.000 2.341 229 L HA 0.059 4.399 4.340 0.000 0.000 0.214 229 L C 2.505 179.453 176.870 0.130 0.000 1.115 229 L CA 0.214 55.160 54.840 0.176 0.000 0.820 229 L CB -0.468 41.646 42.059 0.092 0.000 0.944 229 L HN 0.079 nan 8.230 nan 0.000 0.452 230 A N 1.465 124.320 122.820 0.057 0.000 1.887 230 A HA -0.312 4.008 4.320 0.000 0.000 0.225 230 A C 2.234 179.695 177.584 -0.206 0.000 1.464 230 A CA 2.399 54.369 52.037 -0.112 0.000 0.717 230 A CB -1.129 17.713 19.000 -0.263 0.000 0.848 230 A HN 0.373 nan 8.150 nan 0.000 0.477 231 L N -1.756 119.276 121.223 -0.320 0.000 1.990 231 L HA -0.258 4.082 4.340 0.000 0.000 0.213 231 L C 2.629 179.378 176.870 -0.202 0.000 1.072 231 L CA 1.819 56.455 54.840 -0.339 0.000 0.755 231 L CB -0.997 40.832 42.059 -0.383 0.000 0.889 231 L HN 0.561 nan 8.230 nan 0.000 0.432 232 H N -0.431 118.629 119.070 -0.017 0.000 2.518 232 H HA -0.097 4.459 4.556 0.000 0.000 0.292 232 H C 2.150 177.469 175.328 -0.014 0.000 1.068 232 H CA 1.178 57.229 56.048 0.006 0.000 1.275 232 H CB -0.001 29.770 29.762 0.015 0.000 1.375 232 H HN 0.406 nan 8.280 nan 0.000 0.563 233 A N 0.942 123.798 122.820 0.060 0.000 2.066 233 A HA -0.027 4.293 4.320 0.000 0.000 0.218 233 A C 2.537 180.119 177.584 -0.003 0.000 1.157 233 A CA 0.327 52.378 52.037 0.024 0.000 0.670 233 A CB -0.543 18.453 19.000 -0.007 0.000 0.804 233 A HN 0.274 nan 8.150 nan 0.000 0.453 234 L N -0.889 120.317 121.223 -0.029 0.000 2.275 234 L HA -0.159 4.181 4.340 0.000 0.000 0.215 234 L C 2.988 179.849 176.870 -0.016 0.000 1.119 234 L CA 0.685 55.504 54.840 -0.034 0.000 0.790 234 L CB -0.630 41.392 42.059 -0.061 0.000 0.919 234 L HN 0.452 nan 8.230 nan 0.000 0.443 235 A N 0.848 123.674 122.820 0.011 0.000 1.927 235 A HA -0.266 4.054 4.320 0.000 0.000 0.220 235 A C 2.043 179.637 177.584 0.017 0.000 1.185 235 A CA 2.108 54.164 52.037 0.031 0.000 0.639 235 A CB -0.577 18.464 19.000 0.068 0.000 0.820 235 A HN 0.474 nan 8.150 nan 0.000 0.451 236 N N 0.472 119.175 118.700 0.006 0.000 2.149 236 N HA -0.144 4.596 4.740 0.000 0.000 0.188 236 N C 1.284 176.745 175.510 -0.082 0.000 1.019 236 N CA 1.571 54.601 53.050 -0.033 0.000 0.857 236 N CB -0.524 37.939 38.487 -0.039 0.000 0.997 236 N HN 0.545 nan 8.380 nan 0.000 0.426 237 D N 0.752 121.116 120.400 -0.061 0.000 2.117 237 D HA -0.044 4.596 4.640 0.000 0.000 0.198 237 D C 2.127 178.392 176.300 -0.058 0.000 0.982 237 D CA 0.514 54.473 54.000 -0.069 0.000 0.828 237 D CB 0.139 40.910 40.800 -0.048 0.000 0.967 237 D HN 0.228 nan 8.370 nan 0.000 0.464 238 L N 0.525 121.729 121.223 -0.032 0.000 2.056 238 L HA -0.153 4.187 4.340 0.000 0.000 0.207 238 L C 2.530 179.416 176.870 0.027 0.000 1.078 238 L CA 0.367 55.200 54.840 -0.012 0.000 0.749 238 L CB -0.312 41.752 42.059 0.007 0.000 0.901 238 L HN 0.062 nan 8.230 nan 0.000 0.433 239 L N -0.713 120.535 121.223 0.042 0.000 2.187 239 L HA -0.205 4.135 4.340 0.000 0.000 0.213 239 L C 2.625 179.561 176.870 0.109 0.000 1.100 239 L CA 1.778 56.681 54.840 0.105 0.000 0.765 239 L CB -0.441 41.634 42.059 0.027 0.000 0.904 239 L HN 0.221 nan 8.230 nan 0.000 0.437 240 S N 0.170 115.847 115.700 -0.039 0.000 2.343 240 S HA -0.135 4.335 4.470 0.000 0.000 0.212 240 S C 1.962 176.599 174.600 0.062 0.000 1.033 240 S CA 1.388 59.555 58.200 -0.055 0.000 1.004 240 S CB -0.478 62.603 63.200 -0.199 0.000 0.977 240 S HN 0.485 nan 8.310 nan 0.000 0.427 241 I N 1.240 121.797 120.570 -0.020 0.000 2.850 241 I HA -0.001 4.169 4.170 0.000 0.000 0.266 241 I C 2.064 178.113 176.117 -0.113 0.000 1.257 241 I CA 0.974 62.239 61.300 -0.059 0.000 1.465 241 I CB -1.233 36.707 38.000 -0.099 0.000 1.091 241 I HN 0.368 nan 8.210 nan 0.000 0.467 242 Q N -0.642 119.094 119.800 -0.107 0.000 2.304 242 Q HA 0.182 4.522 4.340 0.000 0.000 0.204 242 Q C -0.052 175.670 176.000 -0.464 0.000 0.936 242 Q CA 0.683 56.303 55.803 -0.303 0.000 0.878 242 Q CB 0.200 28.739 28.738 -0.332 0.000 0.983 242 Q HN 0.514 nan 8.270 nan 0.000 0.516 243 Y N -0.620 119.660 120.300 -0.032 0.000 2.528 243 Y HA 0.410 4.960 4.550 0.000 0.000 0.335 243 Y C 0.195 176.045 175.900 -0.084 0.000 1.093 243 Y CA -1.216 56.843 58.100 -0.069 0.000 1.134 243 Y CB 1.533 39.936 38.460 -0.095 0.000 1.253 243 Y HN 0.162 nan 8.280 nan 0.000 0.478 244 C N -1.416 117.865 119.300 -0.033 0.000 3.316 244 C HA 0.451 4.911 4.460 0.000 0.000 0.360 244 C C -0.971 173.876 174.990 -0.239 0.000 1.560 244 C CA -0.917 57.980 59.018 -0.202 0.000 1.229 244 C CB 1.573 29.249 27.740 -0.108 0.000 1.823 244 C HN 0.942 nan 8.230 nan 0.000 0.440 245 H N 1.646 120.522 119.070 -0.324 0.000 2.646 245 H HA 0.246 4.802 4.556 0.000 0.000 0.325 245 H C -1.721 173.520 175.328 -0.145 0.000 1.075 245 H CA -0.747 55.141 56.048 -0.267 0.000 1.421 245 H CB 1.679 31.289 29.762 -0.254 0.000 1.461 245 H HN 0.396 nan 8.280 nan 0.000 0.525 246 P HA -0.242 nan 4.420 nan 0.000 0.222 246 P C 1.408 178.673 177.300 -0.058 0.000 1.155 246 P CA 2.216 65.135 63.100 -0.303 0.000 0.890 246 P CB 0.177 31.619 31.700 -0.429 0.000 0.790 247 T N -0.721 113.838 114.554 0.009 0.000 2.597 247 T HA -0.193 4.157 4.350 0.000 0.000 0.267 247 T C 1.748 176.577 174.700 0.215 0.000 1.053 247 T CA 2.214 64.456 62.100 0.236 0.000 1.165 247 T CB -1.248 67.851 68.868 0.385 0.000 0.863 247 T HN -0.091 nan 8.240 nan 0.000 0.427 248 V N 1.282 121.285 119.914 0.148 0.000 2.250 248 V HA -0.207 3.913 4.120 0.000 0.000 0.250 248 V C 2.684 178.848 176.094 0.118 0.000 1.060 248 V CA 1.774 64.137 62.300 0.106 0.000 1.030 248 V CB -1.197 30.652 31.823 0.042 0.000 0.643 248 V HN 0.334 nan 8.190 nan 0.000 0.445 249 V N -0.760 119.203 119.914 0.083 0.000 2.324 249 V HA -0.333 3.787 4.120 0.000 0.000 0.250 249 V C 2.237 178.433 176.094 0.171 0.000 1.060 249 V CA 2.682 65.036 62.300 0.090 0.000 1.042 249 V CB -0.908 30.947 31.823 0.054 0.000 0.650 249 V HN 0.650 nan 8.190 nan 0.000 0.450 250 Y N 2.105 122.451 120.300 0.077 0.000 2.070 250 Y HA -0.267 4.283 4.550 0.000 0.000 0.280 250 Y C 2.586 178.542 175.900 0.094 0.000 1.148 250 Y CA 2.060 60.209 58.100 0.081 0.000 1.125 250 Y CB -0.681 37.822 38.460 0.072 0.000 0.975 250 Y HN 0.296 nan 8.280 nan 0.000 0.492 251 N N -0.319 118.391 118.700 0.017 0.000 2.037 251 N HA -0.309 4.431 4.740 0.000 0.000 0.196 251 N C 1.778 177.239 175.510 -0.082 0.000 1.034 251 N CA 2.027 55.032 53.050 -0.074 0.000 0.861 251 N CB -1.417 37.113 38.487 0.071 0.000 1.039 251 N HN 0.571 nan 8.380 nan 0.000 0.427 252 Y N 1.913 122.164 120.300 -0.081 0.000 1.993 252 Y HA -0.237 4.313 4.550 0.000 0.000 0.267 252 Y C 2.460 178.310 175.900 -0.084 0.000 1.155 252 Y CA 1.746 59.807 58.100 -0.065 0.000 1.105 252 Y CB -0.763 37.662 38.460 -0.057 0.000 0.960 252 Y HN -0.007 nan 8.280 nan 0.000 0.486 253 L N -0.087 121.128 121.223 -0.014 0.000 1.990 253 L HA -0.313 4.027 4.340 0.000 0.000 0.213 253 L C 2.762 179.581 176.870 -0.085 0.000 1.072 253 L CA 2.104 56.895 54.840 -0.081 0.000 0.755 253 L CB -1.213 40.826 42.059 -0.033 0.000 0.889 253 L HN 0.451 nan 8.230 nan 0.000 0.432 254 S N -0.678 114.860 115.700 -0.269 0.000 2.399 254 S HA -0.182 4.288 4.470 0.000 0.000 0.231 254 S C 2.095 176.563 174.600 -0.220 0.000 1.022 254 S CA 1.267 59.279 58.200 -0.313 0.000 0.983 254 S CB -0.596 62.154 63.200 -0.751 0.000 0.803 254 S HN 0.578 nan 8.310 nan 0.000 0.480 255 S N 2.097 117.671 115.700 -0.210 0.000 2.406 255 S HA 0.111 4.581 4.470 0.000 0.000 0.224 255 S C 1.734 176.274 174.600 -0.100 0.000 1.030 255 S CA -0.007 58.111 58.200 -0.137 0.000 0.958 255 S CB -0.471 62.667 63.200 -0.105 0.000 0.811 255 S HN 0.536 nan 8.310 nan 0.000 0.489 256 R N 1.778 122.192 120.500 -0.143 0.000 2.325 256 R HA 0.440 4.780 4.340 0.000 0.000 0.214 256 R C 0.406 176.718 176.300 0.021 0.000 0.961 256 R CA 0.293 56.355 56.100 -0.064 0.000 1.086 256 R CB -0.176 29.947 30.300 -0.294 0.000 1.037 256 R HN 0.504 nan 8.270 nan 0.000 0.493 257 A N 2.369 125.130 122.820 -0.098 0.000 2.327 257 A HA 0.415 4.735 4.320 0.000 0.000 0.283 257 A C -1.938 175.471 177.584 -0.291 0.000 1.127 257 A CA -1.492 50.357 52.037 -0.314 0.000 0.810 257 A CB 0.283 18.996 19.000 -0.478 0.000 1.066 257 A HN -0.008 nan 8.150 nan 0.000 0.492 258 P HA 0.117 nan 4.420 nan 0.000 0.289 258 P C 0.353 177.256 177.300 -0.661 0.000 1.299 258 P CA -0.314 62.436 63.100 -0.584 0.000 0.766 258 P CB 0.647 31.868 31.700 -0.798 0.000 1.226 259 N N -0.072 118.257 118.700 -0.617 0.000 2.223 259 N HA -0.184 4.556 4.740 0.000 0.000 0.185 259 N C 1.120 176.415 175.510 -0.357 0.000 1.016 259 N CA 1.313 54.136 53.050 -0.378 0.000 0.863 259 N CB -0.836 37.532 38.487 -0.199 0.000 0.983 259 N HN 0.452 nan 8.380 nan 0.000 0.429 260 F N -1.198 118.531 119.950 -0.368 0.000 2.641 260 F HA 0.499 5.026 4.527 0.000 0.000 0.302 260 F C -0.456 175.176 175.800 -0.281 0.000 1.098 260 F CA -0.849 56.925 58.000 -0.376 0.000 1.318 260 F CB -0.158 38.626 39.000 -0.360 0.000 1.035 260 F HN -0.174 nan 8.300 nan 0.000 0.551 261 L N 2.337 123.200 121.223 -0.599 0.000 2.354 261 L HA 0.726 5.066 4.340 0.000 0.000 0.264 261 L C -0.434 176.221 176.870 -0.358 0.000 1.008 261 L CA -1.225 53.348 54.840 -0.445 0.000 0.819 261 L CB 2.473 44.104 42.059 -0.713 0.000 1.339 261 L HN 0.214 nan 8.230 nan 0.000 0.420 262 R N 1.427 121.832 120.500 -0.159 0.000 2.716 262 R HA 0.619 4.959 4.340 0.000 0.000 0.271 262 R C -1.842 174.531 176.300 0.123 0.000 1.028 262 R CA -0.982 55.091 56.100 -0.045 0.000 0.883 262 R CB 1.454 31.735 30.300 -0.031 0.000 1.250 262 R HN 0.439 nan 8.270 nan 0.000 0.465 263 L N 1.101 122.423 121.223 0.166 0.000 2.453 263 L HA 0.191 4.531 4.340 0.000 0.000 0.261 263 L C 0.393 177.341 176.870 0.129 0.000 1.179 263 L CA -0.388 54.566 54.840 0.190 0.000 0.813 263 L CB 0.768 42.959 42.059 0.220 0.000 1.110 263 L HN 0.727 nan 8.230 nan 0.000 0.466 264 D N 0.458 120.920 120.400 0.103 0.000 2.419 264 D HA -0.104 4.536 4.640 0.000 0.000 0.236 264 D C 0.728 177.066 176.300 0.062 0.000 1.165 264 D CA 0.013 54.055 54.000 0.069 0.000 0.882 264 D CB 0.780 41.609 40.800 0.048 0.000 1.201 264 D HN 0.407 nan 8.370 nan 0.000 0.443 265 D N 1.532 121.958 120.400 0.042 0.000 2.088 265 D HA -0.190 4.450 4.640 0.000 0.000 0.191 265 D C 1.846 178.156 176.300 0.017 0.000 0.992 265 D CA 1.464 55.482 54.000 0.031 0.000 0.831 265 D CB -0.175 40.637 40.800 0.020 0.000 0.973 265 D HN 0.579 nan 8.370 nan 0.000 0.447 266 Q N 0.100 119.904 119.800 0.007 0.000 2.135 266 Q HA -0.104 4.236 4.340 0.000 0.000 0.204 266 Q C 2.374 178.366 176.000 -0.014 0.000 0.981 266 Q CA 0.793 56.590 55.803 -0.010 0.000 0.856 266 Q CB 0.027 28.754 28.738 -0.019 0.000 0.902 266 Q HN 0.142 nan 8.270 nan 0.000 0.425 267 V N 0.057 119.974 119.914 0.005 0.000 2.261 267 V HA -0.281 3.839 4.120 0.000 0.000 0.246 267 V C 2.156 178.266 176.094 0.026 0.000 1.047 267 V CA 1.981 64.290 62.300 0.014 0.000 1.015 267 V CB -0.720 31.130 31.823 0.045 0.000 0.642 267 V HN 0.296 nan 8.190 nan 0.000 0.446 268 S N -0.155 115.574 115.700 0.048 0.000 2.374 268 S HA -0.225 4.245 4.470 0.000 0.000 0.227 268 S C 1.922 176.429 174.600 -0.155 0.000 1.037 268 S CA 1.927 60.119 58.200 -0.013 0.000 1.024 268 S CB -0.453 62.791 63.200 0.073 0.000 0.861 268 S HN 0.466 nan 8.310 nan 0.000 0.456 269 L N 1.163 122.342 121.223 -0.074 0.000 1.994 269 L HA -0.149 4.191 4.340 0.000 0.000 0.208 269 L C 2.528 179.368 176.870 -0.050 0.000 1.071 269 L CA 1.592 56.389 54.840 -0.072 0.000 0.745 269 L CB -0.306 41.732 42.059 -0.036 0.000 0.892 269 L HN 0.256 nan 8.230 nan 0.000 0.431 270 K N -0.421 119.963 120.400 -0.027 0.000 2.026 270 K HA -0.235 4.085 4.320 0.000 0.000 0.208 270 K C 2.085 178.754 176.600 0.115 0.000 1.048 270 K CA 1.506 57.801 56.287 0.013 0.000 0.929 270 K CB -0.109 32.343 32.500 -0.080 0.000 0.713 270 K HN 0.127 nan 8.250 nan 0.000 0.439 271 L N 0.807 122.073 121.223 0.072 0.000 2.131 271 L HA -0.147 4.193 4.340 0.000 0.000 0.210 271 L C 2.210 179.075 176.870 -0.008 0.000 1.092 271 L CA 1.650 56.556 54.840 0.110 0.000 0.759 271 L CB -0.521 41.606 42.059 0.115 0.000 0.903 271 L HN 0.252 nan 8.230 nan 0.000 0.435 272 T N -1.753 112.715 114.554 -0.144 0.000 2.770 272 T HA -0.099 4.251 4.350 0.000 0.000 0.258 272 T C 1.735 176.426 174.700 -0.015 0.000 1.039 272 T CA 1.313 63.314 62.100 -0.164 0.000 1.143 272 T CB -0.213 68.483 68.868 -0.287 0.000 0.866 272 T HN 0.496 nan 8.240 nan 0.000 0.428 273 S N 1.544 117.252 115.700 0.014 0.000 2.727 273 S HA 0.383 4.853 4.470 0.000 0.000 0.226 273 S C 0.878 175.546 174.600 0.113 0.000 0.963 273 S CA -0.201 58.033 58.200 0.056 0.000 0.950 273 S CB -0.657 62.571 63.200 0.047 0.000 0.779 273 S HN 0.483 nan 8.310 nan 0.000 0.532 274 A N 1.467 124.364 122.820 0.127 0.000 2.537 274 A HA 0.546 4.866 4.320 0.000 0.000 0.260 274 A C 1.030 178.690 177.584 0.126 0.000 1.082 274 A CA 0.064 52.142 52.037 0.069 0.000 0.765 274 A CB -0.578 18.285 19.000 -0.228 0.000 1.019 274 A HN 0.608 nan 8.150 nan 0.000 0.507 275 G N 1.198 110.048 108.800 0.084 0.000 2.588 275 G HA2 0.425 4.385 3.960 0.000 0.000 0.278 275 G HA3 0.425 4.385 3.960 0.000 0.000 0.278 275 G C 0.349 175.308 174.900 0.099 0.000 1.307 275 G CA -0.727 44.422 45.100 0.082 0.000 1.016 275 G HN 0.955 nan 8.290 nan 0.000 0.503 276 I N -0.406 120.188 120.570 0.039 0.000 2.754 276 I HA 0.344 4.514 4.170 0.000 0.000 0.285 276 I C 1.419 177.557 176.117 0.035 0.000 1.166 276 I CA 1.484 62.796 61.300 0.019 0.000 1.417 276 I CB 0.685 38.682 38.000 -0.006 0.000 1.382 276 I HN 1.032 nan 8.210 nan 0.000 0.588 277 G N 3.677 112.530 108.800 0.090 0.000 2.143 277 G HA2 -0.242 3.718 3.960 0.000 0.000 0.249 277 G HA3 -0.242 3.718 3.960 0.000 0.000 0.249 277 G C 0.113 175.098 174.900 0.142 0.000 0.981 277 G CA 0.329 45.518 45.100 0.148 0.000 0.665 277 G HN 0.909 nan 8.290 nan 0.000 0.528 278 T N -0.721 113.817 114.554 -0.026 0.000 2.867 278 T HA 0.783 5.133 4.350 0.000 0.000 0.282 278 T C -0.094 174.368 174.700 -0.396 0.000 1.000 278 T CA -0.778 61.094 62.100 -0.381 0.000 1.042 278 T CB 2.762 71.102 68.868 -0.881 0.000 0.973 278 T HN 0.492 nan 8.240 nan 0.000 0.465 279 L N 2.174 123.130 121.223 -0.446 0.000 2.401 279 L HA 0.668 5.008 4.340 0.000 0.000 0.266 279 L C -0.527 176.231 176.870 -0.187 0.000 0.991 279 L CA -0.958 53.685 54.840 -0.329 0.000 0.818 279 L CB 2.430 44.289 42.059 -0.332 0.000 1.321 279 L HN 0.600 nan 8.230 nan 0.000 0.413 280 M N 3.844 123.414 119.600 -0.049 0.000 2.619 280 M HA 0.567 5.047 4.480 0.000 0.000 0.297 280 M C -2.697 173.679 176.300 0.126 0.000 1.229 280 M CA -1.813 53.545 55.300 0.096 0.000 0.860 280 M CB 3.591 36.215 32.600 0.042 0.000 1.741 280 M HN 0.190 nan 8.290 nan 0.000 0.462 281 P HA 0.085 nan 4.420 nan 0.000 0.271 281 P C -1.518 175.679 177.300 -0.171 0.000 1.226 281 P CA 0.056 63.052 63.100 -0.174 0.000 0.765 281 P CB 0.339 31.916 31.700 -0.206 0.000 0.835 282 R N 6.179 126.550 120.500 -0.215 0.000 2.442 282 R HA 0.230 4.570 4.340 0.000 0.000 0.291 282 R C -1.889 174.246 176.300 -0.275 0.000 1.069 282 R CA -1.572 54.403 56.100 -0.209 0.000 1.022 282 R CB 0.033 30.232 30.300 -0.168 0.000 0.976 282 R HN 0.369 nan 8.270 nan 0.000 0.443 283 P HA -0.024 nan 4.420 nan 0.000 0.268 283 P C -0.563 176.491 177.300 -0.410 0.000 1.204 283 P CA -0.163 62.638 63.100 -0.499 0.000 0.768 283 P CB 1.061 32.162 31.700 -0.998 0.000 0.842 284 V N 2.351 122.061 119.914 -0.340 0.000 2.333 284 V HA 0.452 4.572 4.120 0.000 0.000 0.274 284 V C -0.221 175.723 176.094 -0.250 0.000 1.028 284 V CA -0.623 61.521 62.300 -0.261 0.000 0.851 284 V CB 1.088 32.778 31.823 -0.222 0.000 1.000 284 V HN 0.228 nan 8.190 nan 0.000 0.456 285 V N 5.076 124.876 119.914 -0.190 0.000 2.531 285 V HA 0.732 4.852 4.120 0.000 0.000 0.301 285 V C -0.362 175.704 176.094 -0.046 0.000 1.034 285 V CA -0.270 61.944 62.300 -0.143 0.000 0.865 285 V CB 1.448 33.242 31.823 -0.047 0.000 0.995 285 V HN 0.961 nan 8.190 nan 0.000 0.424 286 Q N 2.567 122.362 119.800 -0.009 0.000 2.468 286 Q HA 0.363 4.703 4.340 0.000 0.000 0.263 286 Q C -1.404 174.662 176.000 0.110 0.000 0.979 286 Q CA -0.752 55.078 55.803 0.046 0.000 0.932 286 Q CB 2.632 31.383 28.738 0.022 0.000 1.462 286 Q HN 0.758 nan 8.270 nan 0.000 0.403 287 L N 3.575 124.875 121.223 0.129 0.000 2.534 287 L HA 0.239 4.579 4.340 0.000 0.000 0.271 287 L C -0.896 176.002 176.870 0.046 0.000 1.178 287 L CA 0.700 55.652 54.840 0.187 0.000 0.907 287 L CB -0.088 42.061 42.059 0.150 0.000 1.164 287 L HN 0.567 nan 8.230 nan 0.000 0.482 288 L N 3.551 124.694 121.223 -0.133 0.000 2.448 288 L HA 0.334 4.674 4.340 0.000 0.000 0.258 288 L C 0.344 176.951 176.870 -0.439 0.000 1.104 288 L CA -0.745 53.820 54.840 -0.457 0.000 0.800 288 L CB 0.528 42.064 42.059 -0.871 0.000 1.241 288 L HN 0.523 nan 8.230 nan 0.000 0.472 289 D N -0.558 119.656 120.400 -0.311 0.000 2.713 289 D HA 0.068 4.708 4.640 0.000 0.000 0.229 289 D C 0.826 177.053 176.300 -0.123 0.000 1.136 289 D CA -0.008 53.913 54.000 -0.132 0.000 1.010 289 D CB -0.098 40.664 40.800 -0.064 0.000 1.084 289 D HN 0.286 nan 8.370 nan 0.000 0.495 290 Y N 0.016 120.339 120.300 0.039 0.000 2.465 290 Y HA -0.152 4.398 4.550 0.000 0.000 0.289 290 Y C 1.896 177.800 175.900 0.007 0.000 1.150 290 Y CA 0.589 58.700 58.100 0.018 0.000 1.293 290 Y CB 0.078 38.544 38.460 0.009 0.000 0.977 290 Y HN 0.226 nan 8.280 nan 0.000 0.556 291 D N -0.049 120.448 120.400 0.162 0.000 2.350 291 D HA -0.095 4.545 4.640 0.000 0.000 0.216 291 D C 1.955 178.344 176.300 0.149 0.000 0.968 291 D CA 0.666 54.769 54.000 0.172 0.000 0.894 291 D CB -0.092 40.815 40.800 0.178 0.000 0.909 291 D HN 0.403 nan 8.370 nan 0.000 0.520 292 L N 0.713 121.998 121.223 0.103 0.000 2.191 292 L HA -0.148 4.192 4.340 0.000 0.000 0.212 292 L C 2.616 179.531 176.870 0.076 0.000 1.103 292 L CA 0.515 55.428 54.840 0.121 0.000 0.769 292 L CB -0.710 41.422 42.059 0.122 0.000 0.908 292 L HN 0.027 nan 8.230 nan 0.000 0.438 293 V N -2.818 117.084 119.914 -0.020 0.000 2.370 293 V HA -0.368 3.752 4.120 0.000 0.000 0.252 293 V C 1.947 178.005 176.094 -0.060 0.000 1.068 293 V CA 1.801 64.033 62.300 -0.113 0.000 1.061 293 V CB -1.450 30.200 31.823 -0.288 0.000 0.656 293 V HN 0.396 nan 8.190 nan 0.000 0.455 294 Y N -0.875 119.514 120.300 0.148 0.000 2.578 294 Y HA 0.235 4.785 4.550 0.000 0.000 0.297 294 Y C 2.359 178.406 175.900 0.246 0.000 1.176 294 Y CA 1.086 59.304 58.100 0.197 0.000 1.315 294 Y CB -0.067 38.486 38.460 0.155 0.000 1.031 294 Y HN 0.260 nan 8.280 nan 0.000 0.524 295 M N -1.270 118.513 119.600 0.306 0.000 2.516 295 M HA 0.078 4.558 4.480 0.000 0.000 0.259 295 M C 0.480 176.907 176.300 0.212 0.000 1.146 295 M CA 0.304 55.775 55.300 0.284 0.000 1.122 295 M CB 0.719 33.475 32.600 0.260 0.000 1.341 295 M HN -0.023 nan 8.290 nan 0.000 0.478 296 S N -0.040 115.694 115.700 0.056 0.000 2.498 296 S HA 0.397 4.867 4.470 0.000 0.000 0.317 296 S C -2.238 172.203 174.600 -0.266 0.000 1.090 296 S CA -1.777 56.336 58.200 -0.145 0.000 1.089 296 S CB 1.202 64.234 63.200 -0.280 0.000 0.997 296 S HN -0.041 nan 8.310 nan 0.000 0.470 297 P HA -0.144 nan 4.420 nan 0.000 0.213 297 P C 1.705 178.725 177.300 -0.468 0.000 1.170 297 P CA 0.687 63.311 63.100 -0.794 0.000 0.902 297 P CB 0.021 31.224 31.700 -0.829 0.000 0.789 298 L N -0.173 120.806 121.223 -0.406 0.000 2.021 298 L HA -0.243 4.097 4.340 0.000 0.000 0.215 298 L C 2.211 178.907 176.870 -0.290 0.000 1.074 298 L CA 2.484 57.099 54.840 -0.375 0.000 0.760 298 L CB -1.665 40.077 42.059 -0.530 0.000 0.889 298 L HN -0.078 nan 8.230 nan 0.000 0.433 299 A N -1.080 121.599 122.820 -0.234 0.000 1.933 299 A HA -0.197 4.123 4.320 0.000 0.000 0.218 299 A C 2.242 179.771 177.584 -0.092 0.000 1.175 299 A CA 1.975 53.949 52.037 -0.104 0.000 0.628 299 A CB -0.916 18.062 19.000 -0.036 0.000 0.814 299 A HN 0.523 nan 8.150 nan 0.000 0.444 300 L N 0.071 121.228 121.223 -0.110 0.000 2.179 300 L HA -0.006 4.334 4.340 0.000 0.000 0.208 300 L C 1.895 178.736 176.870 -0.047 0.000 1.096 300 L CA 2.201 57.013 54.840 -0.048 0.000 0.779 300 L CB -0.698 41.392 42.059 0.052 0.000 0.922 300 L HN 0.470 nan 8.230 nan 0.000 0.443 301 N N -0.471 118.160 118.700 -0.114 0.000 2.223 301 N HA -0.199 4.541 4.740 0.000 0.000 0.185 301 N C 1.532 176.995 175.510 -0.078 0.000 1.016 301 N CA 1.451 54.441 53.050 -0.100 0.000 0.863 301 N CB -0.102 38.293 38.487 -0.153 0.000 0.983 301 N HN 0.349 nan 8.380 nan 0.000 0.429 302 N N 0.340 118.989 118.700 -0.084 0.000 2.270 302 N HA -0.082 4.658 4.740 0.000 0.000 0.181 302 N C 1.692 177.183 175.510 -0.032 0.000 1.016 302 N CA 0.350 53.365 53.050 -0.059 0.000 0.870 302 N CB -0.314 38.142 38.487 -0.052 0.000 0.979 302 N HN 0.346 nan 8.380 nan 0.000 0.431 303 L N 0.771 121.984 121.223 -0.017 0.000 1.994 303 L HA -0.125 4.215 4.340 0.000 0.000 0.208 303 L C 2.149 179.011 176.870 -0.014 0.000 1.071 303 L CA 1.480 56.331 54.840 0.017 0.000 0.745 303 L CB -0.383 41.683 42.059 0.012 0.000 0.892 303 L HN 0.095 nan 8.230 nan 0.000 0.431 304 A N -0.968 121.847 122.820 -0.008 0.000 1.865 304 A HA -0.270 4.050 4.320 0.000 0.000 0.217 304 A C 2.471 180.011 177.584 -0.074 0.000 1.191 304 A CA 2.066 54.091 52.037 -0.019 0.000 0.623 304 A CB -1.203 17.808 19.000 0.017 0.000 0.826 304 A HN 0.560 nan 8.150 nan 0.000 0.444 305 S N -0.648 115.010 115.700 -0.069 0.000 2.372 305 S HA -0.290 4.180 4.470 0.000 0.000 0.227 305 S C 2.238 176.764 174.600 -0.123 0.000 1.044 305 S CA 2.206 60.358 58.200 -0.081 0.000 1.050 305 S CB -0.352 62.808 63.200 -0.068 0.000 0.901 305 S HN 0.638 nan 8.310 nan 0.000 0.447 306 R N 0.342 120.750 120.500 -0.153 0.000 2.090 306 R HA 0.072 4.412 4.340 0.000 0.000 0.228 306 R C 2.310 178.283 176.300 -0.545 0.000 1.110 306 R CA 1.172 57.124 56.100 -0.247 0.000 0.973 306 R CB -0.574 29.631 30.300 -0.158 0.000 0.869 306 R HN 0.445 nan 8.270 nan 0.000 0.440 307 L N 0.810 121.657 121.223 -0.626 0.000 2.079 307 L HA -0.140 4.200 4.340 0.000 0.000 0.210 307 L C 1.656 178.294 176.870 -0.386 0.000 1.081 307 L CA 1.842 56.223 54.840 -0.766 0.000 0.752 307 L CB -0.811 41.087 42.059 -0.268 0.000 0.896 307 L HN 0.382 nan 8.230 nan 0.000 0.433 308 L N -0.704 120.383 121.223 -0.226 0.000 2.095 308 L HA -0.099 4.241 4.340 0.000 0.000 0.204 308 L C 2.775 179.581 176.870 -0.107 0.000 1.080 308 L CA 0.725 55.492 54.840 -0.122 0.000 0.759 308 L CB -0.396 41.618 42.059 -0.074 0.000 0.914 308 L HN 0.171 nan 8.230 nan 0.000 0.439 309 R N 0.079 120.504 120.500 -0.125 0.000 2.117 309 R HA -0.219 4.121 4.340 0.000 0.000 0.243 309 R C 2.200 178.462 176.300 -0.064 0.000 1.143 309 R CA 1.270 57.322 56.100 -0.080 0.000 0.968 309 R CB -0.244 30.012 30.300 -0.074 0.000 0.863 309 R HN 0.051 nan 8.270 nan 0.000 0.444 310 K N 1.049 121.386 120.400 -0.106 0.000 2.217 310 K HA 0.038 4.358 4.320 0.000 0.000 0.202 310 K C 0.346 176.947 176.600 0.001 0.000 1.051 310 K CA 0.519 56.784 56.287 -0.037 0.000 0.952 310 K CB -0.022 32.463 32.500 -0.024 0.000 0.736 310 K HN 0.036 nan 8.250 nan 0.000 0.453 311 I N 1.288 121.848 120.570 -0.016 0.000 2.741 311 I HA -0.117 4.053 4.170 0.000 0.000 0.288 311 I C -0.057 176.075 176.117 0.024 0.000 1.192 311 I CA 0.443 61.751 61.300 0.012 0.000 1.426 311 I CB 0.316 38.321 38.000 0.008 0.000 1.367 311 I HN 0.028 nan 8.210 nan 0.000 0.563 312 S N 7.765 123.486 115.700 0.035 0.000 2.750 312 S HA 0.568 5.038 4.470 0.000 0.000 0.276 312 S C -0.823 173.808 174.600 0.052 0.000 1.165 312 S CA -0.684 57.541 58.200 0.042 0.000 1.047 312 S CB 0.532 63.755 63.200 0.039 0.000 1.056 312 S HN 0.432 nan 8.310 nan 0.000 0.481 313 L N 3.894 125.153 121.223 0.061 0.000 2.334 313 L HA 0.585 4.925 4.340 0.000 0.000 0.273 313 L C -0.513 176.422 176.870 0.109 0.000 1.013 313 L CA -0.976 53.905 54.840 0.069 0.000 0.816 313 L CB 1.707 43.794 42.059 0.047 0.000 1.278 313 L HN 0.731 nan 8.230 nan 0.000 0.431 314 H N 3.072 122.136 119.070 -0.010 0.000 2.792 314 H HA 0.573 5.129 4.556 0.000 0.000 0.298 314 H C -1.349 173.964 175.328 -0.025 0.000 1.042 314 H CA -0.202 55.837 56.048 -0.015 0.000 1.300 314 H CB 0.671 30.420 29.762 -0.021 0.000 1.431 314 H HN 0.380 nan 8.280 nan 0.000 0.496 315 L N 4.773 125.825 121.223 -0.286 0.000 2.330 315 L HA 0.612 4.952 4.340 0.000 0.000 0.271 315 L C -0.571 176.117 176.870 -0.302 0.000 1.013 315 L CA -1.463 53.234 54.840 -0.239 0.000 0.816 315 L CB 2.102 44.079 42.059 -0.136 0.000 1.287 315 L HN 0.400 nan 8.230 nan 0.000 0.435 316 V N 0.210 119.994 119.914 -0.217 0.000 2.487 316 V HA 0.670 4.790 4.120 0.000 0.000 0.298 316 V C -0.385 175.635 176.094 -0.124 0.000 1.028 316 V CA -0.606 61.596 62.300 -0.163 0.000 0.860 316 V CB 1.610 33.357 31.823 -0.126 0.000 0.991 316 V HN 0.748 nan 8.190 nan 0.000 0.427 317 M N 2.647 122.198 119.600 -0.082 0.000 2.619 317 M HA 0.518 4.998 4.480 0.000 0.000 0.297 317 M C -0.211 176.090 176.300 0.001 0.000 1.229 317 M CA -0.481 54.768 55.300 -0.085 0.000 0.860 317 M CB 2.658 35.193 32.600 -0.108 0.000 1.741 317 M HN 0.725 nan 8.290 nan 0.000 0.462 318 Q N 0.824 120.630 119.800 0.010 0.000 2.631 318 Q HA 0.340 4.680 4.340 0.000 0.000 0.210 318 Q C -0.535 175.569 176.000 0.173 0.000 1.094 318 Q CA -0.154 55.695 55.803 0.077 0.000 1.055 318 Q CB 0.577 29.359 28.738 0.072 0.000 1.261 318 Q HN 0.470 nan 8.270 nan 0.000 0.615 319 M N 1.303 120.981 119.600 0.129 0.000 2.219 319 M HA -0.045 4.435 4.480 0.000 0.000 0.353 319 M C 1.066 177.452 176.300 0.144 0.000 1.304 319 M CA 0.307 55.675 55.300 0.113 0.000 1.115 319 M CB 0.859 33.493 32.600 0.058 0.000 1.664 319 M HN 0.595 nan 8.290 nan 0.000 0.459 320 V N 2.716 122.670 119.914 0.066 0.000 2.317 320 V HA -0.308 3.812 4.120 0.000 0.000 0.251 320 V C 2.019 178.089 176.094 -0.039 0.000 1.065 320 V CA 2.436 64.667 62.300 -0.116 0.000 1.049 320 V CB -1.756 29.909 31.823 -0.264 0.000 0.651 320 V HN 0.891 nan 8.190 nan 0.000 0.450 321 T N 1.184 115.728 114.554 -0.017 0.000 2.545 321 T HA -0.224 4.126 4.350 0.000 0.000 0.261 321 T C 2.171 176.878 174.700 0.011 0.000 1.097 321 T CA 2.176 64.270 62.100 -0.010 0.000 1.189 321 T CB -0.864 68.000 68.868 -0.006 0.000 0.863 321 T HN 0.651 nan 8.240 nan 0.000 0.405 322 A N 0.954 123.791 122.820 0.027 0.000 2.009 322 A HA -0.161 4.159 4.320 0.000 0.000 0.222 322 A C 2.593 180.196 177.584 0.032 0.000 1.175 322 A CA 2.093 54.147 52.037 0.028 0.000 0.651 322 A CB -1.320 17.702 19.000 0.036 0.000 0.815 322 A HN 0.401 nan 8.150 nan 0.000 0.459 323 V N -0.520 119.440 119.914 0.076 0.000 2.358 323 V HA -0.302 3.818 4.120 0.000 0.000 0.246 323 V C 2.558 178.653 176.094 0.001 0.000 1.047 323 V CA 2.107 64.452 62.300 0.075 0.000 1.035 323 V CB -1.016 30.955 31.823 0.246 0.000 0.658 323 V HN 0.659 nan 8.190 nan 0.000 0.452 324 Q N -0.397 119.407 119.800 0.007 0.000 1.993 324 Q HA -0.261 4.079 4.340 0.000 0.000 0.202 324 Q C 2.478 178.455 176.000 -0.037 0.000 0.984 324 Q CA 1.635 57.423 55.803 -0.024 0.000 0.837 324 Q CB -0.379 28.343 28.738 -0.027 0.000 0.902 324 Q HN 0.486 nan 8.270 nan 0.000 0.423 325 Q N 0.749 120.534 119.800 -0.025 0.000 2.173 325 Q HA -0.235 4.105 4.340 0.000 0.000 0.208 325 Q C 1.593 177.571 176.000 -0.036 0.000 0.989 325 Q CA 1.732 57.519 55.803 -0.026 0.000 0.872 325 Q CB -0.197 28.532 28.738 -0.016 0.000 0.909 325 Q HN 0.349 nan 8.270 nan 0.000 0.420 326 D N -0.483 119.890 120.400 -0.045 0.000 2.110 326 D HA -0.069 4.571 4.640 0.000 0.000 0.202 326 D C 2.122 178.365 176.300 -0.096 0.000 0.975 326 D CA 0.804 54.767 54.000 -0.062 0.000 0.839 326 D CB -0.202 40.561 40.800 -0.062 0.000 0.996 326 D HN 0.224 nan 8.370 nan 0.000 0.464 327 L N 0.044 121.178 121.223 -0.148 0.000 2.093 327 L HA 0.034 4.374 4.340 0.000 0.000 0.208 327 L C 2.602 179.413 176.870 -0.099 0.000 1.085 327 L CA 1.097 55.828 54.840 -0.181 0.000 0.755 327 L CB -0.746 41.142 42.059 -0.284 0.000 0.904 327 L HN 0.139 nan 8.230 nan 0.000 0.435 328 G N -0.096 108.659 108.800 -0.075 0.000 2.507 328 G HA2 -0.272 3.688 3.960 0.000 0.000 0.221 328 G HA3 -0.272 3.688 3.960 0.000 0.000 0.221 328 G C 1.450 176.325 174.900 -0.042 0.000 1.119 328 G CA 0.921 45.992 45.100 -0.049 0.000 0.751 328 G HN 0.467 nan 8.290 nan 0.000 0.574 329 E N -0.344 119.829 120.200 -0.045 0.000 2.086 329 E HA 0.005 4.355 4.350 0.000 0.000 0.190 329 E C 2.716 179.294 176.600 -0.036 0.000 0.975 329 E CA 0.562 56.941 56.400 -0.035 0.000 0.813 329 E CB -0.019 29.662 29.700 -0.032 0.000 0.768 329 E HN 0.298 nan 8.360 nan 0.000 0.457 330 V N 1.656 121.542 119.914 -0.047 0.000 2.469 330 V HA -0.200 3.920 4.120 0.000 0.000 0.251 330 V C 2.372 178.446 176.094 -0.033 0.000 1.064 330 V CA 1.760 64.036 62.300 -0.039 0.000 1.066 330 V CB -0.543 31.249 31.823 -0.051 0.000 0.667 330 V HN 0.266 nan 8.190 nan 0.000 0.461 331 V N -4.015 115.877 119.914 -0.037 0.000 3.565 331 V HA 0.348 4.468 4.120 0.000 0.000 0.260 331 V C 1.053 177.126 176.094 -0.034 0.000 1.231 331 V CA 0.464 62.744 62.300 -0.033 0.000 1.100 331 V CB 0.303 32.109 31.823 -0.028 0.000 0.807 331 V HN 0.559 nan 8.190 nan 0.000 0.454 332 S N 0.192 115.874 115.700 -0.031 0.000 3.926 332 S HA -0.126 4.344 4.470 0.000 0.000 0.478 332 S C -0.245 174.338 174.600 -0.027 0.000 0.830 332 S CA 0.267 58.450 58.200 -0.028 0.000 1.318 332 S CB -1.679 61.504 63.200 -0.028 0.000 0.848 332 S HN 1.015 nan 8.310 nan 0.000 0.628 333 V N 4.427 124.326 119.914 -0.026 0.000 2.415 333 V HA 0.251 4.371 4.120 0.000 0.000 0.267 333 V C 0.933 177.014 176.094 -0.020 0.000 1.042 333 V CA 0.173 62.459 62.300 -0.023 0.000 1.000 333 V CB 1.158 32.968 31.823 -0.022 0.000 1.015 333 V HN 0.757 nan 8.190 nan 0.000 0.478 334 S N 3.474 119.162 115.700 -0.020 0.000 2.416 334 S HA 0.073 4.543 4.470 0.000 0.000 0.287 334 S C 1.258 175.848 174.600 -0.016 0.000 1.139 334 S CA -0.112 58.078 58.200 -0.018 0.000 1.058 334 S CB 1.004 64.194 63.200 -0.018 0.000 0.967 334 S HN 1.013 nan 8.310 nan 0.000 0.495 335 S N 2.780 118.471 115.700 -0.015 0.000 2.795 335 S HA -0.021 4.449 4.470 0.000 0.000 0.236 335 S C 0.808 175.401 174.600 -0.013 0.000 0.973 335 S CA 0.480 58.671 58.200 -0.014 0.000 0.982 335 S CB -0.255 62.937 63.200 -0.014 0.000 0.786 335 S HN 0.641 nan 8.310 nan 0.000 0.538 336 N N -0.080 118.612 118.700 -0.013 0.000 2.419 336 N HA 0.192 4.932 4.740 0.000 0.000 0.216 336 N C -0.417 175.086 175.510 -0.011 0.000 1.118 336 N CA 0.190 53.233 53.050 -0.012 0.000 0.850 336 N CB 0.778 39.258 38.487 -0.011 0.000 1.292 336 N HN 0.254 nan 8.380 nan 0.000 0.467 337 V N 2.359 122.265 119.914 -0.013 0.000 2.498 337 V HA 0.271 4.391 4.120 0.000 0.000 0.279 337 V C 0.152 176.239 176.094 -0.012 0.000 1.048 337 V CA -0.100 62.192 62.300 -0.013 0.000 0.967 337 V CB 1.343 33.156 31.823 -0.016 0.000 0.988 337 V HN 0.058 nan 8.190 nan 0.000 0.473 338 T N 6.320 120.868 114.554 -0.009 0.000 2.749 338 T HA 0.462 4.812 4.350 0.000 0.000 0.287 338 T C -0.173 174.524 174.700 -0.005 0.000 0.970 338 T CA -0.589 61.508 62.100 -0.006 0.000 0.980 338 T CB 0.296 69.162 68.868 -0.004 0.000 0.924 338 T HN 0.912 nan 8.240 nan 0.000 0.456 339 N N 3.186 121.885 118.700 -0.002 0.000 2.494 339 N HA 0.305 5.045 4.740 0.000 0.000 0.270 339 N C -2.648 172.875 175.510 0.020 0.000 1.285 339 N CA -1.801 51.248 53.050 -0.001 0.000 0.812 339 N CB 2.000 40.474 38.487 -0.021 0.000 1.557 339 N HN 0.146 nan 8.380 nan 0.000 0.487 340 P HA -0.302 nan 4.420 nan 0.000 0.212 340 P C 1.376 178.740 177.300 0.107 0.000 1.174 340 P CA 2.769 65.933 63.100 0.107 0.000 0.934 340 P CB -0.263 31.557 31.700 0.201 0.000 0.791 341 A N -0.026 122.863 122.820 0.114 0.000 1.896 341 A HA -0.284 4.036 4.320 0.000 0.000 0.220 341 A C 2.726 180.341 177.584 0.051 0.000 1.206 341 A CA 3.356 55.455 52.037 0.104 0.000 0.647 341 A CB -1.856 17.173 19.000 0.049 0.000 0.828 341 A HN 0.391 nan 8.150 nan 0.000 0.455 342 S N -0.674 115.039 115.700 0.023 0.000 2.359 342 S HA -0.087 4.383 4.470 0.000 0.000 0.224 342 S C 2.205 176.811 174.600 0.009 0.000 1.035 342 S CA 1.934 60.138 58.200 0.008 0.000 1.018 342 S CB -0.655 62.543 63.200 -0.003 0.000 0.876 342 S HN 1.020 nan 8.310 nan 0.000 0.448 343 A N 1.216 124.044 122.820 0.014 0.000 1.865 343 A HA -0.199 4.121 4.320 0.000 0.000 0.217 343 A C 2.770 180.357 177.584 0.006 0.000 1.191 343 A CA 2.117 54.158 52.037 0.008 0.000 0.623 343 A CB -1.895 17.112 19.000 0.011 0.000 0.826 343 A HN 1.110 nan 8.150 nan 0.000 0.444 344 C N -0.359 118.948 119.300 0.012 0.000 2.411 344 C HA -0.016 4.444 4.460 0.000 0.000 0.279 344 C C 2.287 177.292 174.990 0.024 0.000 1.288 344 C CA 0.891 59.913 59.018 0.007 0.000 1.764 344 C CB -1.942 25.793 27.740 -0.008 0.000 1.974 344 C HN 0.501 nan 8.230 nan 0.000 0.498 345 L N 1.121 122.360 121.223 0.027 0.000 2.642 345 L HA -0.040 4.300 4.340 0.000 0.000 0.236 345 L C 2.209 179.077 176.870 -0.004 0.000 1.169 345 L CA 0.589 55.443 54.840 0.024 0.000 0.851 345 L CB -0.432 41.630 42.059 0.006 0.000 0.968 345 L HN 0.404 nan 8.230 nan 0.000 0.453 346 V N -1.742 118.165 119.914 -0.012 0.000 3.455 346 V HA 0.015 4.135 4.120 0.000 0.000 0.250 346 V C 1.809 177.878 176.094 -0.040 0.000 1.230 346 V CA 0.282 62.563 62.300 -0.031 0.000 1.105 346 V CB -0.055 31.752 31.823 -0.027 0.000 0.850 346 V HN 0.309 nan 8.190 nan 0.000 0.461 347 R N 0.288 120.772 120.500 -0.027 0.000 2.535 347 R HA 0.253 4.593 4.340 0.000 0.000 0.233 347 R C 0.427 176.706 176.300 -0.034 0.000 1.202 347 R CA 0.046 56.128 56.100 -0.030 0.000 1.205 347 R CB -0.202 30.086 30.300 -0.020 0.000 1.153 347 R HN 0.385 nan 8.270 nan 0.000 0.512 348 M N 2.319 121.886 119.600 -0.055 0.000 2.111 348 M HA 0.128 4.608 4.480 0.000 0.000 0.351 348 M C -0.709 175.444 176.300 -0.244 0.000 1.214 348 M CA -0.127 55.120 55.300 -0.089 0.000 1.120 348 M CB 0.393 32.960 32.600 -0.056 0.000 1.443 348 M HN 0.198 nan 8.290 nan 0.000 0.429 349 N N 1.849 120.427 118.700 -0.203 0.000 2.380 349 N HA 0.530 5.270 4.740 0.000 0.000 0.290 349 N C -0.094 175.311 175.510 -0.175 0.000 1.236 349 N CA -1.230 51.681 53.050 -0.232 0.000 0.780 349 N CB 1.661 40.082 38.487 -0.109 0.000 1.438 349 N HN 0.210 nan 8.380 nan 0.000 0.491 350 V N 0.040 119.875 119.914 -0.132 0.000 2.446 350 V HA -0.156 3.964 4.120 0.000 0.000 0.244 350 V C 2.653 178.800 176.094 0.088 0.000 1.039 350 V CA 1.331 63.685 62.300 0.090 0.000 1.045 350 V CB -1.054 30.821 31.823 0.086 0.000 0.681 350 V HN 0.845 nan 8.190 nan 0.000 0.459 351 Q N 0.961 120.775 119.800 0.024 0.000 2.173 351 Q HA -0.225 4.115 4.340 0.000 0.000 0.208 351 Q C 2.209 178.224 176.000 0.025 0.000 0.989 351 Q CA 2.383 58.197 55.803 0.019 0.000 0.872 351 Q CB -0.598 28.138 28.738 -0.004 0.000 0.909 351 Q HN 0.655 nan 8.270 nan 0.000 0.420 352 G N -0.185 108.628 108.800 0.023 0.000 2.446 352 G HA2 -0.267 3.693 3.960 0.000 0.000 0.217 352 G HA3 -0.267 3.693 3.960 0.000 0.000 0.217 352 G C 1.413 176.334 174.900 0.035 0.000 1.168 352 G CA 1.055 46.163 45.100 0.014 0.000 0.771 352 G HN 0.322 nan 8.290 nan 0.000 0.551 353 V N 0.513 120.477 119.914 0.084 0.000 2.332 353 V HA -0.262 3.858 4.120 0.000 0.000 0.248 353 V C 2.910 179.036 176.094 0.053 0.000 1.055 353 V CA 2.267 64.610 62.300 0.072 0.000 1.038 353 V CB -0.596 31.286 31.823 0.097 0.000 0.651 353 V HN 0.458 nan 8.190 nan 0.000 0.450 354 Q N -0.268 119.565 119.800 0.054 0.000 1.956 354 Q HA -0.241 4.099 4.340 0.000 0.000 0.208 354 Q C 2.342 178.374 176.000 0.054 0.000 0.998 354 Q CA 2.534 58.364 55.803 0.045 0.000 0.855 354 Q CB -0.708 28.052 28.738 0.037 0.000 0.928 354 Q HN 0.641 nan 8.270 nan 0.000 0.418 355 T N 2.205 116.785 114.554 0.043 0.000 2.620 355 T HA -0.209 4.141 4.350 0.000 0.000 0.267 355 T C 1.760 176.516 174.700 0.093 0.000 1.044 355 T CA 1.169 63.297 62.100 0.048 0.000 1.161 355 T CB -0.379 68.491 68.868 0.004 0.000 0.862 355 T HN 0.146 nan 8.240 nan 0.000 0.438 356 L N 0.846 122.114 121.223 0.076 0.000 2.012 356 L HA -0.149 4.191 4.340 0.000 0.000 0.210 356 L C 2.875 179.887 176.870 0.237 0.000 1.073 356 L CA 2.360 57.286 54.840 0.143 0.000 0.748 356 L CB -1.529 40.571 42.059 0.068 0.000 0.891 356 L HN 0.333 nan 8.230 nan 0.000 0.431 357 A N -0.784 122.122 122.820 0.144 0.000 1.845 357 A HA -0.220 4.100 4.320 0.000 0.000 0.215 357 A C 2.387 180.052 177.584 0.134 0.000 1.195 357 A CA 2.022 54.130 52.037 0.119 0.000 0.616 357 A CB -1.240 17.796 19.000 0.059 0.000 0.832 357 A HN 0.300 nan 8.150 nan 0.000 0.443 358 V N -0.968 119.021 119.914 0.124 0.000 2.317 358 V HA -0.275 3.845 4.120 0.000 0.000 0.251 358 V C 2.141 178.333 176.094 0.164 0.000 1.065 358 V CA 2.837 65.206 62.300 0.116 0.000 1.049 358 V CB -0.706 31.177 31.823 0.100 0.000 0.651 358 V HN 0.573 nan 8.190 nan 0.000 0.450 359 F N 0.861 120.850 119.950 0.065 0.000 2.051 359 F HA -0.158 4.369 4.527 0.000 0.000 0.296 359 F C 2.082 177.932 175.800 0.083 0.000 1.122 359 F CA 2.335 60.385 58.000 0.083 0.000 1.201 359 F CB -0.571 38.507 39.000 0.130 0.000 0.978 359 F HN 0.188 nan 8.300 nan 0.000 0.472 360 I N 0.535 121.180 120.570 0.125 0.000 2.236 360 I HA -0.416 3.754 4.170 0.000 0.000 0.249 360 I C 2.626 178.692 176.117 -0.085 0.000 1.102 360 I CA 1.323 62.602 61.300 -0.034 0.000 1.365 360 I CB -1.135 36.922 38.000 0.094 0.000 1.051 360 I HN 0.322 nan 8.210 nan 0.000 0.420 361 A N 1.232 124.042 122.820 -0.017 0.000 1.835 361 A HA -0.270 4.050 4.320 0.000 0.000 0.215 361 A C 2.328 179.884 177.584 -0.046 0.000 1.199 361 A CA 1.923 53.955 52.037 -0.008 0.000 0.615 361 A CB -0.908 18.108 19.000 0.027 0.000 0.838 361 A HN 0.614 nan 8.150 nan 0.000 0.444 362 Q N -0.755 119.010 119.800 -0.059 0.000 2.050 362 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 362 Q C 1.957 177.882 176.000 -0.124 0.000 0.980 362 Q CA 1.842 57.608 55.803 -0.062 0.000 0.840 362 Q CB -0.691 28.027 28.738 -0.034 0.000 0.898 362 Q HN 0.401 nan 8.270 nan 0.000 0.424 363 S N 0.447 115.973 115.700 -0.291 0.000 2.484 363 S HA -0.111 4.359 4.470 0.000 0.000 0.250 363 S C 1.556 176.039 174.600 -0.195 0.000 0.995 363 S CA 1.411 59.397 58.200 -0.358 0.000 0.967 363 S CB -0.177 62.580 63.200 -0.738 0.000 0.752 363 S HN 0.432 nan 8.310 nan 0.000 0.517 364 M N 0.015 119.538 119.600 -0.127 0.000 2.367 364 M HA 0.237 4.717 4.480 0.000 0.000 0.256 364 M C 1.078 177.362 176.300 -0.027 0.000 1.091 364 M CA 0.687 55.947 55.300 -0.068 0.000 1.049 364 M CB -0.165 32.406 32.600 -0.048 0.000 1.406 364 M HN 0.263 nan 8.290 nan 0.000 0.498 365 L N 0.083 121.302 121.223 -0.006 0.000 2.162 365 L HA 0.118 4.458 4.340 0.000 0.000 0.205 365 L C 0.617 177.526 176.870 0.065 0.000 1.086 365 L CA 0.748 55.614 54.840 0.042 0.000 0.778 365 L CB -0.149 41.963 42.059 0.087 0.000 0.928 365 L HN 0.405 nan 8.230 nan 0.000 0.446 366 N N -0.705 118.034 118.700 0.066 0.000 2.752 366 N HA 0.113 4.853 4.740 0.000 0.000 0.268 366 N C -2.207 173.362 175.510 0.098 0.000 1.190 366 N CA -0.749 52.367 53.050 0.110 0.000 0.897 366 N CB 1.798 40.385 38.487 0.166 0.000 1.515 366 N HN -0.259 nan 8.380 nan 0.000 0.567 367 P HA -0.116 nan 4.420 nan 0.000 0.221 367 P C -0.219 177.185 177.300 0.174 0.000 1.145 367 P CA 1.056 64.201 63.100 0.076 0.000 0.795 367 P CB 0.241 31.979 31.700 0.063 0.000 0.775 368 N N -0.742 118.088 118.700 0.217 0.000 2.322 368 N HA 0.060 4.800 4.740 0.000 0.000 0.194 368 N C 1.217 176.886 175.510 0.265 0.000 1.126 368 N CA 0.078 53.276 53.050 0.247 0.000 0.845 368 N CB 0.140 38.729 38.487 0.170 0.000 0.976 368 N HN 0.201 nan 8.380 nan 0.000 0.475 369 I N -0.057 120.643 120.570 0.217 0.000 2.927 369 I HA -0.006 4.164 4.170 0.000 0.000 0.268 369 I C 0.873 177.088 176.117 0.164 0.000 1.153 369 I CA 0.529 61.942 61.300 0.188 0.000 1.459 369 I CB 0.117 38.194 38.000 0.129 0.000 1.149 369 I HN -0.019 nan 8.210 nan 0.000 0.443 370 S N -0.785 115.007 115.700 0.152 0.000 2.570 370 S HA 0.642 5.112 4.470 0.000 0.000 0.270 370 S C -1.068 173.663 174.600 0.217 0.000 1.149 370 S CA -0.756 57.527 58.200 0.138 0.000 0.837 370 S CB 1.582 64.835 63.200 0.089 0.000 1.124 370 S HN 0.142 nan 8.310 nan 0.000 0.465 371 Y N -0.706 119.715 120.300 0.201 0.000 2.570 371 Y HA 0.931 5.481 4.550 0.000 0.000 0.345 371 Y C -0.071 176.007 175.900 0.295 0.000 1.014 371 Y CA -0.955 57.262 58.100 0.194 0.000 1.063 371 Y CB 0.938 39.445 38.460 0.078 0.000 1.272 371 Y HN 0.997 nan 8.280 nan 0.000 0.477 372 G N 1.741 110.874 108.800 0.555 0.000 2.420 372 G HA2 0.544 4.504 3.960 0.000 0.000 0.331 372 G HA3 0.544 4.504 3.960 0.000 0.000 0.331 372 G C -1.658 173.401 174.900 0.265 0.000 1.168 372 G CA -1.105 44.172 45.100 0.295 0.000 0.936 372 G HN 0.637 nan 8.290 nan 0.000 0.479 373 M N 2.342 122.021 119.600 0.132 0.000 2.044 373 M HA 0.451 4.931 4.480 0.000 0.000 0.333 373 M C -0.231 176.095 176.300 0.044 0.000 1.004 373 M CA -0.643 54.728 55.300 0.119 0.000 0.954 373 M CB 0.647 33.319 32.600 0.119 0.000 1.468 373 M HN 0.348 nan 8.290 nan 0.000 0.414 374 I N 2.091 122.704 120.570 0.072 0.000 2.588 374 I HA 0.118 4.288 4.170 0.000 0.000 0.283 374 I C 0.481 176.626 176.117 0.046 0.000 1.119 374 I CA -0.055 61.277 61.300 0.052 0.000 1.419 374 I CB 1.046 39.119 38.000 0.121 0.000 1.394 374 I HN 0.613 nan 8.210 nan 0.000 0.562 375 S N 4.184 119.899 115.700 0.024 0.000 2.541 375 S HA 0.580 5.050 4.470 0.000 0.000 0.283 375 S C 0.508 175.156 174.600 0.081 0.000 1.196 375 S CA 0.193 58.413 58.200 0.033 0.000 1.062 375 S CB 1.226 64.426 63.200 -0.000 0.000 1.009 375 S HN 1.069 nan 8.310 nan 0.000 0.502 376 G N 3.487 112.293 108.800 0.009 0.000 2.289 376 G HA2 -0.172 3.788 3.960 0.000 0.000 0.280 376 G HA3 -0.172 3.788 3.960 0.000 0.000 0.280 376 G C 0.000 174.792 174.900 -0.180 0.000 1.089 376 G CA 0.195 45.239 45.100 -0.094 0.000 0.939 376 G HN 0.796 nan 8.290 nan 0.000 0.499 377 L N 1.641 122.827 121.223 -0.062 0.000 2.998 377 L HA 0.165 4.505 4.340 0.000 0.000 0.234 377 L C 1.440 178.259 176.870 -0.085 0.000 1.350 377 L CA -0.314 54.499 54.840 -0.044 0.000 1.202 377 L CB -0.366 41.727 42.059 0.056 0.000 1.583 377 L HN 0.332 nan 8.230 nan 0.000 0.456 378 T N 0.165 114.616 114.554 -0.172 0.000 2.848 378 T HA -0.166 4.184 4.350 0.000 0.000 0.340 378 T C 1.302 175.943 174.700 -0.099 0.000 1.091 378 T CA -0.002 62.015 62.100 -0.138 0.000 1.123 378 T CB 0.879 69.640 68.868 -0.178 0.000 1.042 378 T HN 0.288 nan 8.240 nan 0.000 0.544 379 L N 1.575 122.733 121.223 -0.108 0.000 2.013 379 L HA -0.099 4.241 4.340 0.000 0.000 0.212 379 L C 1.510 178.307 176.870 -0.120 0.000 1.073 379 L CA 2.047 56.784 54.840 -0.171 0.000 0.753 379 L CB -0.438 41.439 42.059 -0.304 0.000 0.890 379 L HN 0.842 nan 8.230 nan 0.000 0.432 380 D N -1.513 118.875 120.400 -0.020 0.000 2.892 380 D HA 0.017 4.657 4.640 0.000 0.000 0.291 380 D C 1.707 178.055 176.300 0.080 0.000 1.341 380 D CA 0.310 54.413 54.000 0.171 0.000 0.844 380 D CB -0.975 39.997 40.800 0.287 0.000 1.093 380 D HN 0.511 nan 8.370 nan 0.000 0.480 381 C N -1.635 117.638 119.300 -0.045 0.000 2.413 381 C HA -0.046 4.414 4.460 0.000 0.000 0.277 381 C C 2.253 177.170 174.990 -0.123 0.000 1.265 381 C CA 0.031 58.909 59.018 -0.234 0.000 1.752 381 C CB -2.084 25.363 27.740 -0.489 0.000 1.998 381 C HN 0.281 nan 8.230 nan 0.000 0.489 382 F N 2.099 122.058 119.950 0.015 0.000 2.529 382 F HA -0.074 4.453 4.527 0.000 0.000 0.297 382 F C 2.460 178.117 175.800 -0.238 0.000 1.114 382 F CA 1.356 59.264 58.000 -0.153 0.000 1.467 382 F CB -0.192 38.583 39.000 -0.376 0.000 1.096 382 F HN 0.215 nan 8.300 nan 0.000 0.586 383 S N -0.739 115.077 115.700 0.195 0.000 2.631 383 S HA -0.034 4.436 4.470 0.000 0.000 0.217 383 S C 0.601 175.346 174.600 0.241 0.000 0.958 383 S CA 0.015 58.371 58.200 0.262 0.000 0.920 383 S CB -0.425 62.883 63.200 0.180 0.000 0.776 383 S HN 0.220 nan 8.310 nan 0.000 0.517 384 N N 1.393 120.214 118.700 0.202 0.000 2.936 384 N HA 0.157 4.897 4.740 0.000 0.000 0.243 384 N C 0.756 176.363 175.510 0.162 0.000 1.149 384 N CA -0.991 52.185 53.050 0.211 0.000 0.914 384 N CB -0.359 38.160 38.487 0.055 0.000 1.179 384 N HN 0.283 nan 8.380 nan 0.000 0.502 385 F N 2.116 122.064 119.950 -0.002 0.000 2.079 385 F HA -0.322 4.205 4.527 0.000 0.000 0.296 385 F C 1.425 176.983 175.800 -0.403 0.000 1.084 385 F CA 1.144 58.810 58.000 -0.557 0.000 1.236 385 F CB -0.469 38.202 39.000 -0.549 0.000 0.984 385 F HN 0.273 nan 8.300 nan 0.000 0.488 386 I N -0.370 119.303 120.570 -1.496 0.000 2.058 386 I HA -0.335 3.835 4.170 0.000 0.000 0.235 386 I C 2.604 178.398 176.117 -0.539 0.000 1.053 386 I CA 2.301 62.935 61.300 -1.110 0.000 1.313 386 I CB -0.755 36.711 38.000 -0.889 0.000 1.039 386 I HN 0.297 nan 8.210 nan 0.000 0.396 387 Y N 1.607 121.655 120.300 -0.420 0.000 2.069 387 Y HA -0.314 4.236 4.550 0.000 0.000 0.278 387 Y C 2.381 178.121 175.900 -0.265 0.000 1.175 387 Y CA 1.991 59.917 58.100 -0.289 0.000 1.134 387 Y CB -0.968 37.349 38.460 -0.238 0.000 0.965 387 Y HN 0.194 nan 8.280 nan 0.000 0.498 388 G N -0.208 108.584 108.800 -0.014 0.000 2.586 388 G HA2 -0.395 3.565 3.960 0.000 0.000 0.218 388 G HA3 -0.395 3.565 3.960 0.000 0.000 0.218 388 G C 1.841 176.791 174.900 0.084 0.000 1.216 388 G CA 1.722 46.862 45.100 0.067 0.000 0.786 388 G HN 0.679 nan 8.290 nan 0.000 0.583 389 A N -0.268 122.521 122.820 -0.052 0.000 1.917 389 A HA -0.147 4.173 4.320 0.000 0.000 0.219 389 A C 2.648 180.231 177.584 -0.002 0.000 1.182 389 A CA 2.096 54.117 52.037 -0.027 0.000 0.633 389 A CB -1.076 17.704 19.000 -0.367 0.000 0.819 389 A HN 0.489 nan 8.150 nan 0.000 0.448 390 C N -1.527 117.670 119.300 -0.171 0.000 2.436 390 C HA -0.066 4.394 4.460 0.000 0.000 0.277 390 C C 2.521 177.467 174.990 -0.073 0.000 1.241 390 C CA 1.055 60.014 59.018 -0.099 0.000 1.721 390 C CB -1.533 26.052 27.740 -0.258 0.000 2.043 390 C HN 0.681 nan 8.230 nan 0.000 0.472 391 L N 0.447 121.536 121.223 -0.224 0.000 2.042 391 L HA -0.161 4.179 4.340 0.000 0.000 0.210 391 L C 2.466 179.426 176.870 0.150 0.000 1.076 391 L CA 2.023 56.809 54.840 -0.089 0.000 0.749 391 L CB -0.568 41.349 42.059 -0.236 0.000 0.893 391 L HN 0.240 nan 8.230 nan 0.000 0.432 392 M N -1.443 118.267 119.600 0.183 0.000 2.117 392 M HA -0.205 4.275 4.480 0.000 0.000 0.262 392 M C 2.348 178.733 176.300 0.142 0.000 1.065 392 M CA 1.659 57.081 55.300 0.204 0.000 1.114 392 M CB -0.961 31.793 32.600 0.258 0.000 1.361 392 M HN 0.337 nan 8.290 nan 0.000 0.408 393 L N -1.130 120.188 121.223 0.157 0.000 1.976 393 L HA -0.240 4.100 4.340 0.000 0.000 0.209 393 L C 2.455 179.412 176.870 0.146 0.000 1.071 393 L CA 1.284 56.200 54.840 0.127 0.000 0.746 393 L CB -0.754 41.385 42.059 0.133 0.000 0.890 393 L HN 0.123 nan 8.230 nan 0.000 0.432 394 F N 1.172 121.131 119.950 0.015 0.000 2.135 394 F HA -0.354 4.173 4.527 0.000 0.000 0.300 394 F C 2.530 178.382 175.800 0.087 0.000 1.074 394 F CA 1.751 59.775 58.000 0.039 0.000 1.262 394 F CB -0.434 38.584 39.000 0.029 0.000 1.013 394 F HN 0.208 nan 8.300 nan 0.000 0.489 395 Q N -0.905 118.926 119.800 0.051 0.000 2.508 395 Q HA -0.057 4.283 4.340 0.000 0.000 0.214 395 Q C 1.908 177.865 176.000 -0.070 0.000 0.979 395 Q CA 0.781 56.544 55.803 -0.067 0.000 0.911 395 Q CB -0.298 28.305 28.738 -0.226 0.000 0.969 395 Q HN 0.536 nan 8.270 nan 0.000 0.504 396 A N -0.475 122.318 122.820 -0.045 0.000 2.303 396 A HA 0.081 4.401 4.320 0.000 0.000 0.217 396 A C 1.355 178.940 177.584 0.003 0.000 1.205 396 A CA 0.043 52.068 52.037 -0.020 0.000 0.875 396 A CB 0.479 19.475 19.000 -0.006 0.000 0.910 396 A HN 0.155 nan 8.150 nan 0.000 0.501 397 L N 0.061 121.247 121.223 -0.062 0.000 2.616 397 L HA 0.370 4.710 4.340 0.000 0.000 0.229 397 L C 0.494 177.307 176.870 -0.095 0.000 1.110 397 L CA 0.775 55.595 54.840 -0.032 0.000 0.884 397 L CB -0.912 41.125 42.059 -0.037 0.000 1.115 397 L HN 0.585 nan 8.230 nan 0.000 0.481 398 I N -2.343 118.125 120.570 -0.171 0.000 2.647 398 I HA 0.572 4.742 4.170 0.000 0.000 0.295 398 I C -2.783 173.299 176.117 -0.058 0.000 1.078 398 I CA -2.027 59.166 61.300 -0.178 0.000 1.048 398 I CB 2.824 40.627 38.000 -0.327 0.000 1.239 398 I HN -0.230 nan 8.210 nan 0.000 0.421 399 P HA 0.337 nan 4.420 nan 0.000 0.276 399 P C -2.392 174.816 177.300 -0.153 0.000 1.252 399 P CA -1.468 61.599 63.100 -0.056 0.000 0.802 399 P CB 0.589 32.239 31.700 -0.085 0.000 1.035 400 P HA -0.213 nan 4.420 nan 0.000 0.216 400 P C 1.920 178.956 177.300 -0.441 0.000 1.153 400 P CA 2.314 65.153 63.100 -0.435 0.000 0.858 400 P CB -0.490 31.043 31.700 -0.278 0.000 0.789 401 S N -0.389 115.055 115.700 -0.426 0.000 2.444 401 S HA -0.254 4.216 4.470 0.000 0.000 0.244 401 S C 1.929 176.358 174.600 -0.285 0.000 1.025 401 S CA 1.478 59.367 58.200 -0.518 0.000 0.995 401 S CB -1.435 61.498 63.200 -0.445 0.000 0.781 401 S HN 0.177 nan 8.310 nan 0.000 0.496 402 A N 0.091 122.785 122.820 -0.210 0.000 2.167 402 A HA 0.498 4.818 4.320 0.000 0.000 0.214 402 A C 0.600 178.252 177.584 0.112 0.000 1.151 402 A CA 0.244 52.246 52.037 -0.057 0.000 0.735 402 A CB -0.168 18.742 19.000 -0.149 0.000 0.802 402 A HN 0.461 nan 8.150 nan 0.000 0.467 403 L N -0.331 120.857 121.223 -0.059 0.000 2.342 403 L HA 0.396 4.736 4.340 0.000 0.000 0.271 403 L C 0.123 176.914 176.870 -0.131 0.000 1.008 403 L CA -0.154 54.675 54.840 -0.018 0.000 0.818 403 L CB 1.553 43.569 42.059 -0.072 0.000 1.296 403 L HN 0.031 nan 8.230 nan 0.000 0.427 404 T N 1.689 116.172 114.554 -0.118 0.000 2.908 404 T HA 0.110 4.460 4.350 0.000 0.000 0.301 404 T C 1.351 175.928 174.700 -0.204 0.000 1.019 404 T CA 0.327 62.265 62.100 -0.270 0.000 1.152 404 T CB 0.625 69.340 68.868 -0.255 0.000 0.966 404 T HN 0.714 nan 8.240 nan 0.000 0.540 405 A N 3.261 125.916 122.820 -0.275 0.000 2.178 405 A HA -0.109 4.211 4.320 0.000 0.000 0.218 405 A C 2.294 179.881 177.584 0.005 0.000 1.157 405 A CA 1.386 53.375 52.037 -0.080 0.000 0.689 405 A CB -0.511 18.541 19.000 0.088 0.000 0.787 405 A HN 0.880 nan 8.150 nan 0.000 0.465 406 R N -0.427 120.049 120.500 -0.039 0.000 2.052 406 R HA -0.106 4.234 4.340 0.000 0.000 0.224 406 R C 2.236 178.568 176.300 0.053 0.000 1.165 406 R CA 1.428 57.538 56.100 0.017 0.000 0.939 406 R CB -0.486 29.805 30.300 -0.015 0.000 0.834 406 R HN 0.585 nan 8.270 nan 0.000 0.435 407 Q N 0.255 120.078 119.800 0.038 0.000 2.112 407 Q HA -0.214 4.126 4.340 0.000 0.000 0.206 407 Q C 2.262 178.357 176.000 0.158 0.000 0.987 407 Q CA 1.798 57.658 55.803 0.094 0.000 0.858 407 Q CB -0.242 28.549 28.738 0.087 0.000 0.905 407 Q HN 0.388 nan 8.270 nan 0.000 0.420 408 R N 0.300 120.877 120.500 0.128 0.000 2.117 408 R HA -0.190 4.150 4.340 0.000 0.000 0.243 408 R C 2.366 178.839 176.300 0.288 0.000 1.143 408 R CA 1.308 57.536 56.100 0.214 0.000 0.968 408 R CB -0.430 29.898 30.300 0.047 0.000 0.863 408 R HN 0.216 nan 8.270 nan 0.000 0.444 409 L N 1.137 122.488 121.223 0.213 0.000 2.044 409 L HA -0.116 4.224 4.340 0.000 0.000 0.205 409 L C 1.389 178.406 176.870 0.244 0.000 1.075 409 L CA 1.915 56.890 54.840 0.225 0.000 0.747 409 L CB -0.412 41.747 42.059 0.166 0.000 0.903 409 L HN -0.003 nan 8.230 nan 0.000 0.435 410 D N 0.211 120.737 120.400 0.210 0.000 2.106 410 D HA -0.248 4.392 4.640 0.000 0.000 0.191 410 D C 2.352 178.825 176.300 0.288 0.000 0.997 410 D CA 2.145 56.275 54.000 0.215 0.000 0.834 410 D CB -0.332 40.567 40.800 0.165 0.000 0.956 410 D HN 0.448 nan 8.370 nan 0.000 0.448 411 I N 0.997 121.761 120.570 0.323 0.000 2.113 411 I HA -0.368 3.802 4.170 0.000 0.000 0.242 411 I C 1.963 178.352 176.117 0.453 0.000 1.057 411 I CA 1.279 62.833 61.300 0.424 0.000 1.314 411 I CB -0.389 37.880 38.000 0.449 0.000 1.022 411 I HN -0.020 nan 8.210 nan 0.000 0.408 412 N N 1.020 119.962 118.700 0.404 0.000 2.094 412 N HA -0.180 4.560 4.740 0.000 0.000 0.191 412 N C 1.526 177.247 175.510 0.352 0.000 1.023 412 N CA 1.336 54.600 53.050 0.357 0.000 0.857 412 N CB -0.461 38.288 38.487 0.437 0.000 1.013 412 N HN 0.343 nan 8.380 nan 0.000 0.426 413 N N 0.602 119.520 118.700 0.363 0.000 2.106 413 N HA -0.044 4.696 4.740 0.000 0.000 0.188 413 N C 1.488 177.263 175.510 0.442 0.000 1.029 413 N CA 0.713 54.003 53.050 0.401 0.000 0.848 413 N CB -0.160 38.538 38.487 0.351 0.000 1.007 413 N HN 0.222 nan 8.380 nan 0.000 0.423 414 R N 0.171 120.921 120.500 0.417 0.000 2.170 414 R HA -0.114 4.226 4.340 0.000 0.000 0.242 414 R C 1.964 178.600 176.300 0.560 0.000 1.145 414 R CA 0.598 56.973 56.100 0.458 0.000 0.984 414 R CB -1.025 29.557 30.300 0.469 0.000 0.869 414 R HN 0.312 nan 8.270 nan 0.000 0.455 415 F N 1.358 121.428 119.950 0.200 0.000 2.149 415 F HA 0.008 4.535 4.527 0.000 0.000 0.294 415 F C 2.377 178.131 175.800 -0.076 0.000 1.095 415 F CA 1.059 58.863 58.000 -0.327 0.000 1.276 415 F CB -0.365 38.210 39.000 -0.707 0.000 1.023 415 F HN 0.020 nan 8.300 nan 0.000 0.480 416 A N -0.500 122.431 122.820 0.184 0.000 1.908 416 A HA -0.261 4.059 4.320 0.000 0.000 0.218 416 A C 2.100 179.793 177.584 0.181 0.000 1.181 416 A CA 1.779 53.928 52.037 0.185 0.000 0.627 416 A CB -1.653 17.577 19.000 0.383 0.000 0.818 416 A HN 0.589 nan 8.150 nan 0.000 0.445 417 Y N -0.623 119.699 120.300 0.038 0.000 2.070 417 Y HA -0.254 4.296 4.550 0.000 0.000 0.280 417 Y C 2.054 177.787 175.900 -0.279 0.000 1.148 417 Y CA 1.959 59.790 58.100 -0.449 0.000 1.125 417 Y CB -0.900 37.244 38.460 -0.527 0.000 0.975 417 Y HN 0.367 nan 8.280 nan 0.000 0.492 418 F N 0.162 119.973 119.950 -0.232 0.000 2.120 418 F HA -0.298 4.229 4.527 0.000 0.000 0.300 418 F C 1.966 177.508 175.800 -0.430 0.000 1.095 418 F CA 1.838 59.630 58.000 -0.346 0.000 1.249 418 F CB -0.655 38.173 39.000 -0.286 0.000 0.995 418 F HN 0.082 nan 8.300 nan 0.000 0.480 419 L N -0.257 120.653 121.223 -0.521 0.000 1.976 419 L HA -0.256 4.084 4.340 0.000 0.000 0.209 419 L C 2.553 179.181 176.870 -0.404 0.000 1.071 419 L CA 1.115 55.648 54.840 -0.512 0.000 0.746 419 L CB -0.932 40.885 42.059 -0.404 0.000 0.890 419 L HN 0.144 nan 8.230 nan 0.000 0.432 420 I N 0.366 120.768 120.570 -0.279 0.000 2.264 420 I HA -0.314 3.856 4.170 0.000 0.000 0.248 420 I C 2.564 178.470 176.117 -0.352 0.000 1.111 420 I CA 1.604 62.779 61.300 -0.209 0.000 1.382 420 I CB -0.939 37.048 38.000 -0.023 0.000 1.060 420 I HN 0.368 nan 8.210 nan 0.000 0.418 421 K N 0.103 120.167 120.400 -0.560 0.000 2.062 421 K HA -0.123 4.197 4.320 0.000 0.000 0.205 421 K C 2.165 178.425 176.600 -0.567 0.000 1.051 421 K CA 1.638 57.560 56.287 -0.607 0.000 0.941 421 K CB 0.150 32.162 32.500 -0.813 0.000 0.719 421 K HN 0.313 nan 8.250 nan 0.000 0.440 422 C N -0.772 118.071 119.300 -0.762 0.000 2.820 422 C HA 0.222 4.682 4.460 0.000 0.000 0.323 422 C C 1.548 176.053 174.990 -0.808 0.000 1.279 422 C CA -0.306 58.192 59.018 -0.866 0.000 1.790 422 C CB -0.358 26.612 27.740 -1.283 0.000 2.328 422 C HN 0.474 nan 8.230 nan 0.000 0.579 423 H N 0.213 118.999 119.070 -0.474 0.000 2.672 423 H HA 0.448 5.004 4.556 0.000 0.000 0.277 423 H C 0.597 175.785 175.328 -0.233 0.000 1.074 423 H CA 0.388 56.246 56.048 -0.317 0.000 1.173 423 H CB 0.251 29.801 29.762 -0.353 0.000 1.558 423 H HN 0.385 nan 8.280 nan 0.000 0.539 424 A N 1.264 123.993 122.820 -0.151 0.000 2.312 424 A HA 0.452 4.772 4.320 0.000 0.000 0.326 424 A C 0.446 177.975 177.584 -0.091 0.000 1.172 424 A CA -0.518 51.457 52.037 -0.103 0.000 0.821 424 A CB 0.636 19.576 19.000 -0.100 0.000 1.166 424 A HN 0.097 nan 8.150 nan 0.000 0.493 425 T N 1.428 115.946 114.554 -0.061 0.000 2.903 425 T HA 0.073 4.423 4.350 0.000 0.000 0.314 425 T C 1.283 175.954 174.700 -0.048 0.000 1.078 425 T CA 0.170 62.240 62.100 -0.050 0.000 1.114 425 T CB 0.652 69.500 68.868 -0.034 0.000 0.987 425 T HN 0.739 nan 8.240 nan 0.000 0.548 426 Q N 1.439 121.212 119.800 -0.044 0.000 2.234 426 Q HA -0.079 4.261 4.340 0.000 0.000 0.206 426 Q C 2.177 178.162 176.000 -0.026 0.000 0.980 426 Q CA 1.961 57.741 55.803 -0.038 0.000 0.869 426 Q CB -0.780 27.938 28.738 -0.034 0.000 0.912 426 Q HN 0.842 nan 8.270 nan 0.000 0.436 427 A N -1.304 121.502 122.820 -0.023 0.000 1.970 427 A HA -0.046 4.274 4.320 0.000 0.000 0.216 427 A C 2.203 179.778 177.584 -0.014 0.000 1.170 427 A CA 1.506 53.534 52.037 -0.016 0.000 0.645 427 A CB -0.559 18.433 19.000 -0.014 0.000 0.816 427 A HN 0.433 nan 8.150 nan 0.000 0.447 428 T N -0.380 114.164 114.554 -0.017 0.000 2.770 428 T HA -0.093 4.257 4.350 0.000 0.000 0.263 428 T C 2.053 176.749 174.700 -0.007 0.000 1.039 428 T CA 1.830 63.923 62.100 -0.012 0.000 1.142 428 T CB -0.491 68.367 68.868 -0.017 0.000 0.868 428 T HN 0.480 nan 8.240 nan 0.000 0.435 429 T N 2.221 116.767 114.554 -0.013 0.000 2.580 429 T HA -0.146 4.204 4.350 0.000 0.000 0.265 429 T C 2.374 177.078 174.700 0.006 0.000 1.063 429 T CA 1.538 63.638 62.100 -0.000 0.000 1.170 429 T CB -0.766 68.095 68.868 -0.013 0.000 0.863 429 T HN 0.424 nan 8.240 nan 0.000 0.418 430 A N 1.537 124.356 122.820 -0.002 0.000 1.927 430 A HA -0.250 4.070 4.320 0.000 0.000 0.220 430 A C 2.262 179.842 177.584 -0.005 0.000 1.185 430 A CA 2.439 54.475 52.037 -0.002 0.000 0.639 430 A CB -0.728 18.269 19.000 -0.005 0.000 0.820 430 A HN 0.519 nan 8.150 nan 0.000 0.451 431 R N -0.343 120.153 120.500 -0.006 0.000 2.073 431 R HA -0.083 4.257 4.340 0.000 0.000 0.234 431 R C 2.065 178.357 176.300 -0.013 0.000 1.134 431 R CA 1.637 57.732 56.100 -0.008 0.000 0.952 431 R CB -0.442 29.856 30.300 -0.004 0.000 0.850 431 R HN 0.532 nan 8.270 nan 0.000 0.433 432 L N 0.433 121.652 121.223 -0.007 0.000 1.989 432 L HA -0.203 4.137 4.340 0.000 0.000 0.211 432 L C 2.535 179.380 176.870 -0.042 0.000 1.071 432 L CA 1.407 56.239 54.840 -0.014 0.000 0.749 432 L CB -0.633 41.431 42.059 0.009 0.000 0.890 432 L HN 0.108 nan 8.230 nan 0.000 0.431 433 V N 0.311 120.207 119.914 -0.030 0.000 2.324 433 V HA -0.347 3.773 4.120 0.000 0.000 0.250 433 V C 2.793 178.844 176.094 -0.071 0.000 1.060 433 V CA 1.970 64.237 62.300 -0.054 0.000 1.042 433 V CB -1.185 30.634 31.823 -0.008 0.000 0.650 433 V HN 0.520 nan 8.190 nan 0.000 0.450 434 A N 0.125 122.919 122.820 -0.043 0.000 1.933 434 A HA -0.193 4.127 4.320 0.000 0.000 0.218 434 A C 1.929 179.482 177.584 -0.052 0.000 1.175 434 A CA 1.848 53.861 52.037 -0.040 0.000 0.628 434 A CB -0.559 18.426 19.000 -0.024 0.000 0.814 434 A HN 0.602 nan 8.150 nan 0.000 0.444 435 N N -0.339 118.328 118.700 -0.054 0.000 2.383 435 N HA 0.036 4.776 4.740 0.000 0.000 0.192 435 N C -0.410 175.049 175.510 -0.086 0.000 1.141 435 N CA 0.354 53.370 53.050 -0.055 0.000 0.851 435 N CB 0.112 38.577 38.487 -0.038 0.000 0.976 435 N HN 0.536 nan 8.380 nan 0.000 0.465 436 Q N -0.761 118.961 119.800 -0.130 0.000 2.453 436 Q HA -0.157 4.183 4.340 0.000 0.000 0.294 436 Q C 0.724 176.597 176.000 -0.211 0.000 1.295 436 Q CA -0.044 55.629 55.803 -0.217 0.000 0.853 436 Q CB -1.516 27.111 28.738 -0.185 0.000 1.193 436 Q HN 0.144 nan 8.270 nan 0.000 0.461 437 V N -1.067 118.751 119.914 -0.161 0.000 2.492 437 V HA 0.099 4.219 4.120 0.000 0.000 0.241 437 V C 0.788 176.783 176.094 -0.165 0.000 1.041 437 V CA 1.399 63.629 62.300 -0.116 0.000 1.057 437 V CB 0.191 31.985 31.823 -0.049 0.000 0.711 437 V HN 0.437 nan 8.190 nan 0.000 0.468 438 I N -1.917 118.549 120.570 -0.173 0.000 2.846 438 I HA 0.484 4.654 4.170 0.000 0.000 0.307 438 I C -0.995 174.983 176.117 -0.233 0.000 1.053 438 I CA -1.730 59.456 61.300 -0.189 0.000 1.050 438 I CB 1.912 39.911 38.000 -0.001 0.000 1.239 438 I HN 0.073 nan 8.210 nan 0.000 0.439 439 Y N 5.567 125.740 120.300 -0.212 0.000 2.352 439 Y HA 0.517 5.067 4.550 0.000 0.000 0.326 439 Y C -1.958 174.085 175.900 0.238 0.000 1.166 439 Y CA -1.787 56.282 58.100 -0.051 0.000 1.182 439 Y CB 0.572 38.934 38.460 -0.163 0.000 1.216 439 Y HN 0.453 nan 8.280 nan 0.000 0.474 440 P HA -0.099 nan 4.420 nan 0.000 0.267 440 P C 0.522 178.105 177.300 0.472 0.000 1.195 440 P CA 0.335 63.628 63.100 0.321 0.000 0.773 440 P CB 0.599 32.428 31.700 0.215 0.000 0.837 441 V N 1.227 121.318 119.914 0.295 0.000 2.626 441 V HA -0.190 3.930 4.120 0.000 0.000 0.252 441 V C 1.522 177.731 176.094 0.192 0.000 1.067 441 V CA 2.191 64.609 62.300 0.198 0.000 1.081 441 V CB -1.331 30.437 31.823 -0.091 0.000 0.686 441 V HN 0.617 nan 8.190 nan 0.000 0.468 442 D N 1.610 122.103 120.400 0.156 0.000 2.363 442 D HA 0.014 4.654 4.640 0.000 0.000 0.220 442 D C 1.371 177.756 176.300 0.142 0.000 0.994 442 D CA 0.921 54.991 54.000 0.117 0.000 0.890 442 D CB -0.227 40.617 40.800 0.074 0.000 0.906 442 D HN 0.432 nan 8.370 nan 0.000 0.530 443 A N 0.876 123.831 122.820 0.224 0.000 2.916 443 A HA 0.223 4.543 4.320 0.000 0.000 0.254 443 A C 1.623 179.341 177.584 0.223 0.000 1.544 443 A CA -0.412 51.749 52.037 0.206 0.000 1.224 443 A CB -1.595 17.555 19.000 0.249 0.000 1.012 443 A HN 0.354 nan 8.150 nan 0.000 0.636 444 I N 0.314 120.970 120.570 0.143 0.000 2.285 444 I HA -0.374 3.796 4.170 0.000 0.000 0.254 444 I C 2.110 178.264 176.117 0.061 0.000 1.093 444 I CA 2.495 63.837 61.300 0.069 0.000 1.368 444 I CB 0.047 38.059 38.000 0.019 0.000 1.054 444 I HN 0.712 nan 8.210 nan 0.000 0.435 445 D N -0.537 119.890 120.400 0.045 0.000 2.249 445 D HA -0.205 4.435 4.640 0.000 0.000 0.205 445 D C 1.728 178.004 176.300 -0.041 0.000 0.962 445 D CA 0.690 54.689 54.000 -0.000 0.000 0.860 445 D CB -0.495 40.293 40.800 -0.020 0.000 0.955 445 D HN 0.406 nan 8.370 nan 0.000 0.505 446 Q N -0.810 118.942 119.800 -0.080 0.000 2.472 446 Q HA -0.005 4.335 4.340 0.000 0.000 0.208 446 Q C 0.964 176.824 176.000 -0.233 0.000 0.958 446 Q CA 0.339 55.938 55.803 -0.341 0.000 0.932 446 Q CB -0.212 28.055 28.738 -0.785 0.000 1.007 446 Q HN 0.529 nan 8.270 nan 0.000 0.508 447 W N 0.636 121.859 121.300 -0.128 0.000 2.996 447 W HA 0.110 4.770 4.660 0.000 0.000 0.270 447 W C 0.662 177.131 176.519 -0.083 0.000 1.280 447 W CA -0.416 56.884 57.345 -0.075 0.000 1.549 447 W CB 0.595 29.974 29.460 -0.136 0.000 1.079 447 W HN -0.070 nan 8.180 nan 0.000 0.629 448 Q N 0.983 120.846 119.800 0.105 0.000 2.333 448 Q HA -0.003 4.337 4.340 0.000 0.000 0.299 448 Q C 0.521 176.551 176.000 0.050 0.000 1.067 448 Q CA 0.602 56.436 55.803 0.052 0.000 0.943 448 Q CB 0.557 29.303 28.738 0.012 0.000 1.233 448 Q HN -0.106 nan 8.270 nan 0.000 0.401 449 S N 2.320 118.058 115.700 0.064 0.000 2.568 449 S HA 0.199 4.669 4.470 0.000 0.000 0.282 449 S C 0.239 174.863 174.600 0.040 0.000 1.338 449 S CA -0.260 57.979 58.200 0.066 0.000 1.045 449 S CB 0.038 63.289 63.200 0.086 0.000 0.873 449 S HN 0.699 nan 8.310 nan 0.000 0.516 450 N N -0.689 118.036 118.700 0.042 0.000 2.554 450 N HA 0.438 5.178 4.740 0.000 0.000 0.271 450 N C 0.649 176.184 175.510 0.041 0.000 1.081 450 N CA -0.388 52.680 53.050 0.030 0.000 0.994 450 N CB 0.458 38.951 38.487 0.011 0.000 1.641 450 N HN 0.446 nan 8.380 nan 0.000 0.511 451 G N 2.160 110.986 108.800 0.043 0.000 3.336 451 G HA2 -0.483 3.477 3.960 0.000 0.000 0.378 451 G HA3 -0.483 3.477 3.960 0.000 0.000 0.378 451 G C 0.309 175.245 174.900 0.060 0.000 2.092 451 G CA 1.728 46.857 45.100 0.048 0.000 2.370 451 G HN 1.087 nan 8.290 nan 0.000 0.944 452 R N 1.154 121.686 120.500 0.053 0.000 2.585 452 R HA 0.252 4.592 4.340 0.000 0.000 0.275 452 R C -0.677 175.678 176.300 0.091 0.000 1.018 452 R CA 0.449 56.585 56.100 0.061 0.000 1.072 452 R CB 0.477 30.802 30.300 0.043 0.000 0.953 452 R HN 0.185 nan 8.270 nan 0.000 0.419 453 D N 4.106 124.572 120.400 0.111 0.000 2.524 453 D HA 0.072 4.712 4.640 0.000 0.000 0.222 453 D C 1.067 177.473 176.300 0.176 0.000 1.142 453 D CA -0.457 53.643 54.000 0.166 0.000 0.973 453 D CB 1.006 41.914 40.800 0.180 0.000 1.025 453 D HN 0.451 nan 8.370 nan 0.000 0.519 454 V N 3.668 123.678 119.914 0.159 0.000 2.278 454 V HA -0.302 3.818 4.120 0.000 0.000 0.251 454 V C 2.524 178.745 176.094 0.211 0.000 1.062 454 V CA 1.373 63.754 62.300 0.134 0.000 1.038 454 V CB -0.608 31.267 31.823 0.086 0.000 0.646 454 V HN 0.476 nan 8.190 nan 0.000 0.447 455 L N 0.092 121.491 121.223 0.292 0.000 1.997 455 L HA -0.200 4.140 4.340 0.000 0.000 0.216 455 L C 2.399 179.516 176.870 0.412 0.000 1.074 455 L CA 2.070 57.111 54.840 0.335 0.000 0.763 455 L CB -0.645 41.633 42.059 0.365 0.000 0.890 455 L HN 0.169 nan 8.230 nan 0.000 0.434 456 V N -0.141 120.036 119.914 0.439 0.000 2.380 456 V HA -0.343 3.777 4.120 0.000 0.000 0.251 456 V C 2.712 178.954 176.094 0.247 0.000 1.063 456 V CA 1.739 64.267 62.300 0.379 0.000 1.055 456 V CB -1.430 30.518 31.823 0.209 0.000 0.657 456 V HN 0.646 nan 8.190 nan 0.000 0.455 457 A N -0.035 122.898 122.820 0.187 0.000 1.897 457 A HA -0.075 4.245 4.320 0.000 0.000 0.215 457 A C 2.127 179.794 177.584 0.138 0.000 1.181 457 A CA 1.356 53.464 52.037 0.118 0.000 0.620 457 A CB -0.347 18.694 19.000 0.068 0.000 0.821 457 A HN 0.403 nan 8.150 nan 0.000 0.443 458 I N -1.113 119.563 120.570 0.177 0.000 2.099 458 I HA -0.299 3.871 4.170 0.000 0.000 0.239 458 I C 2.450 178.705 176.117 0.231 0.000 1.066 458 I CA 1.852 63.252 61.300 0.167 0.000 1.324 458 I CB -1.694 36.406 38.000 0.167 0.000 1.037 458 I HN 0.584 nan 8.210 nan 0.000 0.401 459 Y N 1.795 122.176 120.300 0.134 0.000 2.139 459 Y HA -0.347 4.203 4.550 0.000 0.000 0.282 459 Y C 2.669 178.635 175.900 0.110 0.000 1.179 459 Y CA 1.419 59.608 58.100 0.147 0.000 1.161 459 Y CB -0.073 38.542 38.460 0.259 0.000 0.970 459 Y HN 0.286 nan 8.280 nan 0.000 0.511 460 N N 0.751 119.545 118.700 0.155 0.000 2.381 460 N HA -0.150 4.590 4.740 0.000 0.000 0.182 460 N C 0.261 175.799 175.510 0.048 0.000 1.025 460 N CA 0.911 53.967 53.050 0.011 0.000 0.888 460 N CB -0.234 38.248 38.487 -0.008 0.000 0.965 460 N HN 0.461 nan 8.380 nan 0.000 0.438 461 N N 0.230 118.981 118.700 0.086 0.000 2.275 461 N HA 0.152 4.892 4.740 0.000 0.000 0.236 461 N C -0.222 175.331 175.510 0.072 0.000 1.154 461 N CA -0.095 52.991 53.050 0.060 0.000 0.866 461 N CB 1.075 39.586 38.487 0.039 0.000 1.093 461 N HN 0.194 nan 8.380 nan 0.000 0.515 462 L N 0.771 122.061 121.223 0.111 0.000 2.466 462 L HA 0.357 4.697 4.340 0.000 0.000 0.257 462 L C 0.343 177.256 176.870 0.071 0.000 1.189 462 L CA -0.301 54.597 54.840 0.097 0.000 0.813 462 L CB 0.791 42.931 42.059 0.134 0.000 1.118 462 L HN -0.168 nan 8.230 nan 0.000 0.471 463 L N 1.570 122.823 121.223 0.050 0.000 2.331 463 L HA 0.331 4.671 4.340 0.000 0.000 0.275 463 L C -1.564 175.327 176.870 0.036 0.000 1.022 463 L CA -1.638 53.224 54.840 0.036 0.000 0.812 463 L CB 1.427 43.499 42.059 0.022 0.000 1.257 463 L HN 0.353 nan 8.230 nan 0.000 0.435 464 P HA -0.196 nan 4.420 nan 0.000 0.217 464 P C 1.331 178.644 177.300 0.021 0.000 1.158 464 P CA 1.459 64.577 63.100 0.030 0.000 0.887 464 P CB 0.174 31.889 31.700 0.024 0.000 0.792 465 G N -0.579 108.230 108.800 0.014 0.000 2.598 465 G HA2 -0.179 3.781 3.960 0.000 0.000 0.215 465 G HA3 -0.179 3.781 3.960 0.000 0.000 0.215 465 G C 0.717 175.618 174.900 0.001 0.000 1.131 465 G CA 0.122 45.226 45.100 0.006 0.000 0.785 465 G HN 0.350 nan 8.290 nan 0.000 0.539 466 E N 0.712 120.914 120.200 0.004 0.000 2.424 466 E HA 0.243 4.593 4.350 0.000 0.000 0.237 466 E C 1.559 178.150 176.600 -0.015 0.000 1.381 466 E CA -0.491 55.905 56.400 -0.006 0.000 1.587 466 E CB -0.023 29.677 29.700 -0.001 0.000 1.398 466 E HN 0.359 nan 8.360 nan 0.000 0.439 467 L N -0.059 121.155 121.223 -0.014 0.000 2.030 467 L HA -0.374 3.966 4.340 0.000 0.000 0.222 467 L C 2.197 179.040 176.870 -0.045 0.000 1.082 467 L CA 1.465 56.292 54.840 -0.021 0.000 0.785 467 L CB -1.044 41.004 42.059 -0.019 0.000 0.895 467 L HN 0.263 nan 8.230 nan 0.000 0.439 468 V N -0.129 119.751 119.914 -0.056 0.000 2.233 468 V HA -0.367 3.753 4.120 0.000 0.000 0.252 468 V C 2.364 178.383 176.094 -0.124 0.000 1.063 468 V CA 2.403 64.648 62.300 -0.091 0.000 1.032 468 V CB -0.692 31.081 31.823 -0.084 0.000 0.645 468 V HN 0.359 nan 8.190 nan 0.000 0.446 469 L N -0.316 120.844 121.223 -0.106 0.000 2.005 469 L HA -0.144 4.196 4.340 0.000 0.000 0.207 469 L C 2.741 179.536 176.870 -0.126 0.000 1.072 469 L CA 2.086 56.851 54.840 -0.125 0.000 0.744 469 L CB -1.142 40.865 42.059 -0.087 0.000 0.895 469 L HN 0.362 nan 8.230 nan 0.000 0.433 470 T N -0.493 114.011 114.554 -0.083 0.000 2.760 470 T HA -0.254 4.096 4.350 0.000 0.000 0.269 470 T C 1.537 176.168 174.700 -0.115 0.000 1.047 470 T CA 1.916 63.963 62.100 -0.087 0.000 1.139 470 T CB -0.427 68.439 68.868 -0.004 0.000 0.855 470 T HN 0.310 nan 8.240 nan 0.000 0.471 471 N N 0.659 119.303 118.700 -0.093 0.000 2.081 471 N HA -0.013 4.727 4.740 0.000 0.000 0.191 471 N C 1.788 177.238 175.510 -0.099 0.000 1.053 471 N CA 0.809 53.811 53.050 -0.079 0.000 0.846 471 N CB -0.532 37.910 38.487 -0.075 0.000 1.032 471 N HN 0.052 nan 8.380 nan 0.000 0.431 472 L N 1.066 122.214 121.223 -0.125 0.000 2.011 472 L HA -0.279 4.061 4.340 0.000 0.000 0.225 472 L C 2.303 179.143 176.870 -0.049 0.000 1.084 472 L CA 1.780 56.562 54.840 -0.096 0.000 0.791 472 L CB -1.366 40.583 42.059 -0.183 0.000 0.898 472 L HN 0.377 nan 8.230 nan 0.000 0.440 473 I N -0.894 119.588 120.570 -0.147 0.000 2.099 473 I HA -0.367 3.803 4.170 0.000 0.000 0.239 473 I C 2.745 178.677 176.117 -0.307 0.000 1.066 473 I CA 1.487 62.620 61.300 -0.277 0.000 1.324 473 I CB -0.350 37.378 38.000 -0.453 0.000 1.037 473 I HN 0.423 nan 8.210 nan 0.000 0.401 474 Q N 0.320 119.922 119.800 -0.330 0.000 2.096 474 Q HA -0.226 4.114 4.340 0.000 0.000 0.204 474 Q C 2.124 178.166 176.000 0.070 0.000 0.982 474 Q CA 2.457 58.206 55.803 -0.089 0.000 0.850 474 Q CB -0.025 28.700 28.738 -0.022 0.000 0.901 474 Q HN 0.454 nan 8.270 nan 0.000 0.422 475 T N -0.142 114.430 114.554 0.031 0.000 2.708 475 T HA -0.195 4.155 4.350 0.000 0.000 0.266 475 T C 1.296 176.067 174.700 0.119 0.000 1.037 475 T CA 1.370 63.522 62.100 0.086 0.000 1.146 475 T CB -0.542 68.322 68.868 -0.006 0.000 0.865 475 T HN 0.457 nan 8.240 nan 0.000 0.435 476 Y N 1.106 121.322 120.300 -0.140 0.000 2.114 476 Y HA -0.094 4.456 4.550 0.000 0.000 0.282 476 Y C 1.353 177.213 175.900 -0.068 0.000 1.165 476 Y CA 1.129 59.064 58.100 -0.276 0.000 1.148 476 Y CB -0.608 37.441 38.460 -0.685 0.000 0.972 476 Y HN 0.301 nan 8.280 nan 0.000 0.504 477 F N 1.194 121.158 119.950 0.022 0.000 2.697 477 F HA 0.153 4.680 4.527 0.000 0.000 0.297 477 F C 0.821 176.629 175.800 0.014 0.000 1.203 477 F CA -0.327 57.672 58.000 -0.003 0.000 1.421 477 F CB -0.108 39.005 39.000 0.189 0.000 1.033 477 F HN -0.116 nan 8.300 nan 0.000 0.512 478 R N 0.949 121.557 120.500 0.179 0.000 3.387 478 R HA -0.259 4.081 4.340 0.000 0.000 0.254 478 R C 1.222 177.578 176.300 0.093 0.000 1.006 478 R CA 0.688 56.833 56.100 0.074 0.000 0.677 478 R CB -1.868 28.394 30.300 -0.063 0.000 1.063 478 R HN 0.768 nan 8.270 nan 0.000 0.453 479 G N -1.198 107.697 108.800 0.157 0.000 2.225 479 G HA2 -0.360 3.600 3.960 0.000 0.000 0.254 479 G HA3 -0.360 3.600 3.960 0.000 0.000 0.254 479 G C 0.154 175.151 174.900 0.162 0.000 0.988 479 G CA 0.372 45.557 45.100 0.141 0.000 0.625 479 G HN 0.526 nan 8.290 nan 0.000 0.527 480 N N 1.680 120.485 118.700 0.176 0.000 2.479 480 N HA 0.471 5.211 4.740 0.000 0.000 0.257 480 N C 0.822 176.463 175.510 0.218 0.000 1.232 480 N CA 0.799 53.928 53.050 0.133 0.000 0.920 480 N CB 0.664 39.181 38.487 0.050 0.000 1.105 480 N HN 0.558 nan 8.380 nan 0.000 0.444 481 T N -2.129 112.482 114.554 0.096 0.000 2.828 481 T HA 0.396 4.746 4.350 0.000 0.000 0.290 481 T C 1.343 175.898 174.700 -0.243 0.000 1.019 481 T CA -0.443 61.672 62.100 0.026 0.000 1.031 481 T CB 0.948 69.800 68.868 -0.026 0.000 1.001 481 T HN 0.462 nan 8.240 nan 0.000 0.531 482 A N 1.055 123.429 122.820 -0.744 0.000 1.908 482 A HA -0.154 4.166 4.320 0.000 0.000 0.218 482 A C 2.305 179.658 177.584 -0.385 0.000 1.181 482 A CA 1.829 53.269 52.037 -0.995 0.000 0.627 482 A CB -1.092 17.284 19.000 -1.041 0.000 0.818 482 A HN 0.909 nan 8.150 nan 0.000 0.445 483 Q N -0.265 119.387 119.800 -0.247 0.000 2.369 483 Q HA -0.068 4.272 4.340 0.000 0.000 0.206 483 Q C 1.957 177.886 176.000 -0.117 0.000 0.963 483 Q CA 1.367 57.083 55.803 -0.144 0.000 0.894 483 Q CB -0.213 28.467 28.738 -0.097 0.000 0.965 483 Q HN 0.790 nan 8.270 nan 0.000 0.475 484 Q N 0.221 119.948 119.800 -0.122 0.000 2.089 484 Q HA 0.058 4.398 4.340 0.000 0.000 0.195 484 Q C 2.165 178.088 176.000 -0.129 0.000 0.963 484 Q CA 0.957 56.705 55.803 -0.092 0.000 0.834 484 Q CB -0.186 28.517 28.738 -0.060 0.000 0.906 484 Q HN 0.474 nan 8.270 nan 0.000 0.452 485 A N 0.982 123.685 122.820 -0.195 0.000 2.024 485 A HA -0.122 4.198 4.320 0.000 0.000 0.220 485 A C 2.015 179.464 177.584 -0.225 0.000 1.164 485 A CA 1.616 53.456 52.037 -0.327 0.000 0.643 485 A CB -0.465 18.183 19.000 -0.586 0.000 0.806 485 A HN 0.368 nan 8.150 nan 0.000 0.451 486 A N -0.832 121.899 122.820 -0.148 0.000 2.251 486 A HA 0.240 4.560 4.320 0.000 0.000 0.209 486 A C 0.726 178.274 177.584 -0.061 0.000 1.187 486 A CA -0.057 51.929 52.037 -0.084 0.000 0.823 486 A CB -0.239 18.721 19.000 -0.067 0.000 0.846 486 A HN 0.589 nan 8.150 nan 0.000 0.486 487 E N -0.014 120.145 120.200 -0.068 0.000 2.392 487 E HA 0.257 4.607 4.350 0.000 0.000 0.264 487 E C -1.101 175.480 176.600 -0.032 0.000 1.024 487 E CA -0.303 56.069 56.400 -0.046 0.000 0.903 487 E CB 0.396 30.068 29.700 -0.047 0.000 0.963 487 E HN 0.260 nan 8.360 nan 0.000 0.432 488 I N 5.509 126.065 120.570 -0.024 0.000 2.312 488 I HA 0.017 4.187 4.170 0.000 0.000 0.291 488 I C 0.800 176.908 176.117 -0.014 0.000 1.031 488 I CA 0.398 61.689 61.300 -0.016 0.000 1.293 488 I CB 1.013 39.003 38.000 -0.017 0.000 1.403 488 I HN 0.625 nan 8.210 nan 0.000 0.484 489 L N 6.292 127.513 121.223 -0.004 0.000 2.127 489 L HA 0.229 4.569 4.340 0.000 0.000 0.203 489 L C 0.409 177.277 176.870 -0.004 0.000 1.080 489 L CA 0.958 55.799 54.840 0.001 0.000 0.768 489 L CB -0.038 42.032 42.059 0.019 0.000 0.924 489 L HN 0.371 nan 8.230 nan 0.000 0.444 490 I N -0.185 120.383 120.570 -0.004 0.000 2.478 490 I HA 0.308 4.478 4.170 0.000 0.000 0.287 490 I C -2.554 173.533 176.117 -0.051 0.000 1.042 490 I CA -2.035 59.246 61.300 -0.031 0.000 1.067 490 I CB 2.198 40.179 38.000 -0.031 0.000 1.233 490 I HN -0.283 nan 8.210 nan 0.000 0.431 491 P HA 0.113 nan 4.420 nan 0.000 0.271 491 P C 0.575 177.811 177.300 -0.106 0.000 1.216 491 P CA -0.014 63.045 63.100 -0.068 0.000 0.771 491 P CB 1.159 32.822 31.700 -0.062 0.000 0.864 492 A N 4.410 127.169 122.820 -0.101 0.000 1.903 492 A HA -0.256 4.064 4.320 0.000 0.000 0.219 492 A C 1.657 179.141 177.584 -0.166 0.000 1.191 492 A CA 2.191 54.140 52.037 -0.147 0.000 0.638 492 A CB -1.524 17.419 19.000 -0.096 0.000 0.823 492 A HN 0.706 nan 8.150 nan 0.000 0.451 493 D N -0.748 119.583 120.400 -0.115 0.000 2.417 493 D HA -0.198 4.442 4.640 0.000 0.000 0.225 493 D C 1.032 177.256 176.300 -0.126 0.000 0.983 493 D CA 1.172 55.108 54.000 -0.106 0.000 0.949 493 D CB -0.320 40.436 40.800 -0.074 0.000 0.879 493 D HN 0.690 nan 8.370 nan 0.000 0.520 494 Q N 0.120 119.825 119.800 -0.159 0.000 2.157 494 Q HA 0.106 4.446 4.340 0.000 0.000 0.229 494 Q C -0.216 175.639 176.000 -0.241 0.000 0.827 494 Q CA -0.134 55.568 55.803 -0.168 0.000 1.055 494 Q CB 1.246 29.903 28.738 -0.135 0.000 1.157 494 Q HN 0.333 nan 8.270 nan 0.000 0.482 495 T N -3.615 110.742 114.554 -0.328 0.000 2.893 495 T HA 0.225 4.575 4.350 0.000 0.000 0.293 495 T C 0.953 175.407 174.700 -0.409 0.000 1.027 495 T CA -0.452 61.342 62.100 -0.509 0.000 0.988 495 T CB 1.723 69.964 68.868 -1.045 0.000 1.043 495 T HN 0.035 nan 8.240 nan 0.000 0.461 496 S N 1.010 116.559 115.700 -0.251 0.000 2.547 496 S HA -0.095 4.375 4.470 0.000 0.000 0.235 496 S C 1.023 175.622 174.600 -0.001 0.000 0.980 496 S CA 0.508 58.647 58.200 -0.102 0.000 0.941 496 S CB -1.120 62.041 63.200 -0.065 0.000 0.763 496 S HN 0.948 nan 8.310 nan 0.000 0.532 497 Y N -0.642 119.613 120.300 -0.074 0.000 2.636 497 Y HA 0.658 5.208 4.550 0.000 0.000 0.260 497 Y C 1.138 177.011 175.900 -0.045 0.000 1.177 497 Y CA -1.007 57.056 58.100 -0.061 0.000 1.209 497 Y CB -0.718 37.700 38.460 -0.070 0.000 1.166 497 Y HN 0.109 nan 8.280 nan 0.000 0.531 498 G N 1.320 110.029 108.800 -0.152 0.000 2.424 498 G HA2 -0.025 3.935 3.960 0.000 0.000 0.294 498 G HA3 -0.025 3.935 3.960 0.000 0.000 0.294 498 G C 0.009 174.872 174.900 -0.061 0.000 0.939 498 G CA 0.501 45.534 45.100 -0.112 0.000 1.143 498 G HN 1.182 nan 8.290 nan 0.000 0.507 499 A N 0.627 123.383 122.820 -0.107 0.000 2.465 499 A HA 0.665 4.985 4.320 0.000 0.000 0.292 499 A C 0.033 177.602 177.584 -0.025 0.000 1.041 499 A CA -0.764 51.275 52.037 0.002 0.000 0.718 499 A CB 0.955 20.039 19.000 0.139 0.000 1.266 499 A HN 0.296 nan 8.150 nan 0.000 0.403 500 N N 1.742 120.439 118.700 -0.004 0.000 2.345 500 N HA 0.047 4.787 4.740 0.000 0.000 0.243 500 N C -0.564 174.974 175.510 0.046 0.000 1.246 500 N CA 0.563 53.612 53.050 -0.002 0.000 0.863 500 N CB 0.651 39.141 38.487 0.006 0.000 1.096 500 N HN 0.580 nan 8.380 nan 0.000 0.446 501 E N 1.334 121.558 120.200 0.041 0.000 2.070 501 E HA 0.118 4.468 4.350 0.000 0.000 0.261 501 E C -0.004 176.624 176.600 0.047 0.000 0.926 501 E CA -0.391 56.057 56.400 0.080 0.000 0.760 501 E CB 0.596 30.360 29.700 0.108 0.000 1.133 501 E HN 0.557 nan 8.360 nan 0.000 0.420 502 T N -0.664 113.917 114.554 0.046 0.000 2.874 502 T HA 0.269 4.619 4.350 0.000 0.000 0.281 502 T C 1.198 175.900 174.700 0.003 0.000 0.994 502 T CA -0.627 61.483 62.100 0.015 0.000 1.015 502 T CB 1.978 70.855 68.868 0.015 0.000 1.028 502 T HN 0.386 nan 8.240 nan 0.000 0.523 503 R N 0.417 120.894 120.500 -0.040 0.000 2.115 503 R HA 0.039 4.379 4.340 0.000 0.000 0.226 503 R C 2.459 178.701 176.300 -0.098 0.000 1.100 503 R CA 1.147 57.212 56.100 -0.058 0.000 0.980 503 R CB -0.906 29.343 30.300 -0.086 0.000 0.875 503 R HN 0.833 nan 8.270 nan 0.000 0.445 504 A N 0.582 123.295 122.820 -0.180 0.000 2.125 504 A HA -0.071 4.249 4.320 0.000 0.000 0.219 504 A C 1.827 179.462 177.584 0.084 0.000 1.156 504 A CA 0.883 52.742 52.037 -0.297 0.000 0.671 504 A CB -0.238 18.558 19.000 -0.340 0.000 0.794 504 A HN 0.346 nan 8.150 nan 0.000 0.459 505 L N -0.825 120.463 121.223 0.108 0.000 2.592 505 L HA 0.084 4.424 4.340 0.000 0.000 0.227 505 L C 1.601 178.584 176.870 0.190 0.000 1.127 505 L CA 0.376 55.332 54.840 0.193 0.000 0.884 505 L CB 0.238 42.376 42.059 0.132 0.000 1.065 505 L HN 0.330 nan 8.230 nan 0.000 0.457 506 S N -1.016 114.780 115.700 0.160 0.000 2.830 506 S HA 0.166 4.636 4.470 0.000 0.000 0.249 506 S C 2.073 176.792 174.600 0.198 0.000 1.084 506 S CA 0.360 58.657 58.200 0.161 0.000 0.852 506 S CB 0.258 63.492 63.200 0.057 0.000 0.802 506 S HN 0.299 nan 8.310 nan 0.000 0.481 507 A N 3.143 126.017 122.820 0.090 0.000 1.940 507 A HA -0.127 4.193 4.320 0.000 0.000 0.221 507 A C -0.085 177.475 177.584 -0.040 0.000 1.190 507 A CA 2.167 54.227 52.037 0.037 0.000 0.647 507 A CB -1.855 17.156 19.000 0.017 0.000 0.821 507 A HN 0.507 nan 8.150 nan 0.000 0.457 508 P HA -0.040 nan 4.420 nan 0.000 0.229 508 P C -0.446 176.544 177.300 -0.516 0.000 1.160 508 P CA 0.682 63.442 63.100 -0.567 0.000 0.777 508 P CB -0.145 30.890 31.700 -1.108 0.000 0.814 509 Y N -0.044 120.207 120.300 -0.082 0.000 2.326 509 Y HA 0.346 4.896 4.550 0.000 0.000 0.337 509 Y C 1.479 177.361 175.900 -0.030 0.000 1.023 509 Y CA -0.745 57.321 58.100 -0.057 0.000 1.143 509 Y CB 0.147 38.574 38.460 -0.055 0.000 1.183 509 Y HN -0.246 nan 8.280 nan 0.000 0.485 510 L N 0.988 122.262 121.223 0.085 0.000 6.599 510 L HA -0.422 3.918 4.340 0.000 0.000 0.053 510 L C 0.762 177.666 176.870 0.056 0.000 2.154 510 L CA 1.410 56.310 54.840 0.100 0.000 1.573 510 L CB -1.131 41.047 42.059 0.200 0.000 2.834 510 L HN 0.644 nan 8.230 nan 0.000 1.072 511 F N 0.957 120.883 119.950 -0.040 0.000 2.748 511 F HA 0.326 4.853 4.527 0.000 0.000 0.299 511 F C 1.726 177.480 175.800 -0.078 0.000 1.154 511 F CA 1.352 59.312 58.000 -0.066 0.000 1.446 511 F CB -0.280 38.685 39.000 -0.058 0.000 1.112 511 F HN 0.603 nan 8.300 nan 0.000 0.584 512 G N 0.336 109.204 108.800 0.113 0.000 2.149 512 G HA2 -0.057 3.903 3.960 0.000 0.000 0.235 512 G HA3 -0.057 3.903 3.960 0.000 0.000 0.235 512 G C 0.167 175.100 174.900 0.054 0.000 1.018 512 G CA -0.097 45.031 45.100 0.047 0.000 0.728 512 G HN 0.649 nan 8.290 nan 0.000 0.508 513 A N 0.323 123.183 122.820 0.068 0.000 2.282 513 A HA 0.908 5.228 4.320 0.000 0.000 0.319 513 A C -1.531 176.068 177.584 0.024 0.000 1.121 513 A CA -1.376 50.679 52.037 0.031 0.000 0.836 513 A CB 1.038 20.041 19.000 0.004 0.000 1.146 513 A HN 0.230 nan 8.150 nan 0.000 0.494 514 P HA 0.102 nan 4.420 nan 0.000 0.268 514 P C 0.807 178.117 177.300 0.016 0.000 1.205 514 P CA 0.009 63.118 63.100 0.015 0.000 0.771 514 P CB 0.424 32.130 31.700 0.010 0.000 0.858 515 I N 1.882 122.462 120.570 0.017 0.000 2.236 515 I HA -0.371 3.799 4.170 0.000 0.000 0.249 515 I C 1.977 178.148 176.117 0.091 0.000 1.102 515 I CA 2.262 63.566 61.300 0.007 0.000 1.365 515 I CB -1.110 36.876 38.000 -0.023 0.000 1.051 515 I HN 0.394 nan 8.210 nan 0.000 0.420 516 N N 1.765 120.529 118.700 0.106 0.000 2.331 516 N HA -0.142 4.598 4.740 0.000 0.000 0.180 516 N C 1.140 176.674 175.510 0.041 0.000 1.019 516 N CA 1.184 54.288 53.050 0.091 0.000 0.881 516 N CB -0.439 38.081 38.487 0.055 0.000 0.972 516 N HN 0.382 nan 8.380 nan 0.000 0.435 517 M N 0.877 120.488 119.600 0.018 0.000 3.076 517 M HA 0.305 4.785 4.480 0.000 0.000 0.296 517 M C -0.717 175.568 176.300 -0.025 0.000 1.185 517 M CA -0.351 54.945 55.300 -0.006 0.000 0.932 517 M CB 0.581 33.174 32.600 -0.012 0.000 1.288 517 M HN 0.001 nan 8.290 nan 0.000 0.536 518 L N 1.469 122.678 121.223 -0.024 0.000 2.490 518 L HA 0.212 4.552 4.340 0.000 0.000 0.274 518 L C 0.906 177.719 176.870 -0.094 0.000 1.201 518 L CA -0.388 54.419 54.840 -0.054 0.000 0.869 518 L CB 0.473 42.505 42.059 -0.046 0.000 1.123 518 L HN 0.404 nan 8.230 nan 0.000 0.484 519 A N 6.594 129.316 122.820 -0.162 0.000 2.451 519 A HA 0.405 4.725 4.320 0.000 0.000 0.266 519 A C -2.048 175.413 177.584 -0.205 0.000 1.119 519 A CA -1.060 50.846 52.037 -0.218 0.000 0.786 519 A CB -0.394 18.382 19.000 -0.374 0.000 1.061 519 A HN 0.464 nan 8.150 nan 0.000 0.503 520 P HA 0.164 nan 4.420 nan 0.000 0.281 520 P C -0.960 176.260 177.300 -0.134 0.000 1.249 520 P CA -0.270 62.758 63.100 -0.119 0.000 0.810 520 P CB 1.130 32.779 31.700 -0.086 0.000 1.008 521 D N 1.706 122.037 120.400 -0.116 0.000 2.524 521 D HA 0.286 4.926 4.640 0.000 0.000 0.222 521 D C 0.869 177.108 176.300 -0.102 0.000 1.142 521 D CA -0.679 53.253 54.000 -0.113 0.000 0.973 521 D CB -0.426 40.311 40.800 -0.105 0.000 1.025 521 D HN 0.270 nan 8.370 nan 0.000 0.519 522 A N 3.695 126.458 122.820 -0.094 0.000 2.276 522 A HA 0.021 4.341 4.320 0.000 0.000 0.212 522 A C 2.053 179.589 177.584 -0.080 0.000 1.230 522 A CA -0.016 51.972 52.037 -0.082 0.000 0.844 522 A CB -0.246 18.713 19.000 -0.068 0.000 0.860 522 A HN 0.485 nan 8.150 nan 0.000 0.486 523 R N -0.478 119.967 120.500 -0.091 0.000 2.134 523 R HA -0.146 4.194 4.340 0.000 0.000 0.248 523 R C 0.912 177.151 176.300 -0.103 0.000 1.143 523 R CA 1.671 57.717 56.100 -0.091 0.000 0.957 523 R CB -0.365 29.874 30.300 -0.102 0.000 0.867 523 R HN 0.504 nan 8.270 nan 0.000 0.441 524 L N 0.703 121.844 121.223 -0.136 0.000 2.653 524 L HA 0.062 4.402 4.340 0.000 0.000 0.231 524 L C 2.014 178.859 176.870 -0.042 0.000 1.153 524 L CA -0.204 54.562 54.840 -0.123 0.000 0.933 524 L CB 0.128 42.045 42.059 -0.237 0.000 1.175 524 L HN 0.215 nan 8.230 nan 0.000 0.473 525 S N 0.726 116.394 115.700 -0.052 0.000 2.404 525 S HA -0.273 4.197 4.470 0.000 0.000 0.230 525 S C 2.033 176.629 174.600 -0.006 0.000 1.046 525 S CA 2.706 60.882 58.200 -0.040 0.000 1.135 525 S CB -0.152 63.024 63.200 -0.039 0.000 1.056 525 S HN 0.548 nan 8.310 nan 0.000 0.426 526 T N 0.485 115.051 114.554 0.019 0.000 2.685 526 T HA -0.206 4.144 4.350 0.000 0.000 0.268 526 T C 1.560 176.319 174.700 0.099 0.000 1.034 526 T CA 1.896 64.023 62.100 0.046 0.000 1.149 526 T CB -0.826 68.070 68.868 0.046 0.000 0.860 526 T HN 0.616 nan 8.240 nan 0.000 0.449 527 Y N 2.397 122.680 120.300 -0.028 0.000 2.181 527 Y HA -0.062 4.488 4.550 0.000 0.000 0.288 527 Y C 2.175 178.069 175.900 -0.009 0.000 1.146 527 Y CA 0.971 59.066 58.100 -0.008 0.000 1.164 527 Y CB -0.362 38.097 38.460 -0.001 0.000 0.982 527 Y HN 0.106 nan 8.280 nan 0.000 0.515 528 K N -0.067 120.242 120.400 -0.152 0.000 2.002 528 K HA -0.220 4.100 4.320 0.000 0.000 0.209 528 K C 2.339 178.844 176.600 -0.157 0.000 1.048 528 K CA 1.620 57.741 56.287 -0.277 0.000 0.930 528 K CB -0.346 32.026 32.500 -0.213 0.000 0.714 528 K HN 0.190 nan 8.250 nan 0.000 0.438 529 R N 1.127 121.586 120.500 -0.068 0.000 2.119 529 R HA -0.218 4.122 4.340 0.000 0.000 0.246 529 R C 1.488 177.793 176.300 0.009 0.000 1.146 529 R CA 2.212 58.303 56.100 -0.016 0.000 0.962 529 R CB -0.120 30.182 30.300 0.003 0.000 0.863 529 R HN 0.198 nan 8.270 nan 0.000 0.442 530 D N 0.078 120.483 120.400 0.008 0.000 2.097 530 D HA -0.124 4.516 4.640 0.000 0.000 0.197 530 D C 1.831 178.152 176.300 0.036 0.000 0.984 530 D CA 1.045 55.067 54.000 0.036 0.000 0.826 530 D CB -0.153 40.689 40.800 0.069 0.000 0.973 530 D HN 0.266 nan 8.370 nan 0.000 0.460 531 L N -0.145 121.061 121.223 -0.029 0.000 2.362 531 L HA 0.002 4.342 4.340 0.000 0.000 0.219 531 L C 1.049 178.065 176.870 0.243 0.000 1.134 531 L CA 0.673 55.541 54.840 0.045 0.000 0.807 531 L CB -0.347 41.637 42.059 -0.125 0.000 0.927 531 L HN 0.068 nan 8.230 nan 0.000 0.447 532 A N -0.964 121.947 122.820 0.151 0.000 3.194 532 A HA -0.125 4.195 4.320 0.000 0.000 0.235 532 A C 0.226 177.977 177.584 0.279 0.000 1.339 532 A CA 0.083 52.258 52.037 0.230 0.000 0.930 532 A CB -1.979 17.191 19.000 0.282 0.000 1.101 532 A HN 0.140 nan 8.150 nan 0.000 0.713 533 L N 0.440 121.666 121.223 0.006 0.000 2.468 533 L HA 0.454 4.794 4.340 0.000 0.000 0.254 533 L C -1.402 175.353 176.870 -0.193 0.000 1.171 533 L CA -1.419 53.269 54.840 -0.253 0.000 0.809 533 L CB -0.402 41.367 42.059 -0.483 0.000 1.155 533 L HN 0.317 nan 8.230 nan 0.000 0.473 534 P HA -0.061 nan 4.420 nan 0.000 0.266 534 P C -0.548 176.674 177.300 -0.131 0.000 1.195 534 P CA -0.171 62.769 63.100 -0.266 0.000 0.768 534 P CB 0.541 31.921 31.700 -0.534 0.000 0.838 535 D N 3.636 124.023 120.400 -0.022 0.000 2.688 535 D HA 0.069 4.709 4.640 0.000 0.000 0.228 535 D C 0.201 176.485 176.300 -0.028 0.000 1.116 535 D CA -0.189 53.797 54.000 -0.024 0.000 1.023 535 D CB -0.449 40.358 40.800 0.011 0.000 1.100 535 D HN 0.343 nan 8.370 nan 0.000 0.487 536 R N -0.651 119.811 120.500 -0.064 0.000 2.680 536 R HA 0.680 5.020 4.340 0.000 0.000 0.269 536 R C -1.198 175.054 176.300 -0.080 0.000 1.026 536 R CA -0.889 55.183 56.100 -0.047 0.000 0.889 536 R CB 1.008 31.302 30.300 -0.010 0.000 1.241 536 R HN -0.025 nan 8.270 nan 0.000 0.463 537 S N 0.933 116.595 115.700 -0.064 0.000 2.751 537 S HA 0.687 5.157 4.470 0.000 0.000 0.310 537 S C -2.685 171.876 174.600 -0.064 0.000 1.128 537 S CA -1.470 56.681 58.200 -0.083 0.000 0.931 537 S CB 2.145 65.293 63.200 -0.086 0.000 1.177 537 S HN 0.498 nan 8.310 nan 0.000 0.530 538 P HA 0.391 nan 4.420 nan 0.000 0.278 538 P C -0.774 176.492 177.300 -0.055 0.000 1.258 538 P CA -0.567 62.503 63.100 -0.049 0.000 0.811 538 P CB 0.321 31.989 31.700 -0.054 0.000 1.063 539 I N 1.267 121.810 120.570 -0.045 0.000 2.648 539 I HA -0.011 4.159 4.170 0.000 0.000 0.284 539 I C 0.647 176.718 176.117 -0.075 0.000 1.153 539 I CA -0.326 60.938 61.300 -0.060 0.000 1.426 539 I CB 0.144 38.115 38.000 -0.048 0.000 1.381 539 I HN 0.195 nan 8.210 nan 0.000 0.571 540 L N 7.806 128.955 121.223 -0.123 0.000 2.407 540 L HA 0.147 4.487 4.340 0.000 0.000 0.282 540 L C 0.660 177.501 176.870 -0.048 0.000 1.110 540 L CA 0.706 55.459 54.840 -0.145 0.000 0.863 540 L CB 0.312 42.198 42.059 -0.289 0.000 1.207 540 L HN 0.592 nan 8.230 nan 0.000 0.454 541 I N 2.841 123.415 120.570 0.007 0.000 2.617 541 I HA 0.029 4.199 4.170 0.000 0.000 0.256 541 I C 0.361 176.530 176.117 0.087 0.000 1.167 541 I CA 0.819 62.164 61.300 0.075 0.000 1.469 541 I CB 0.268 38.279 38.000 0.018 0.000 1.098 541 I HN 0.752 nan 8.210 nan 0.000 0.436 542 T N -0.651 113.918 114.554 0.024 0.000 2.927 542 T HA 0.182 4.532 4.350 0.000 0.000 0.350 542 T C -0.494 174.217 174.700 0.018 0.000 1.746 542 T CA -0.228 61.838 62.100 -0.056 0.000 1.081 542 T CB 0.740 69.116 68.868 -0.819 0.000 1.551 542 T HN 0.233 nan 8.240 nan 0.000 0.489 543 T N 0.798 115.429 114.554 0.128 0.000 2.899 543 T HA 0.635 4.985 4.350 0.000 0.000 0.295 543 T C -0.058 174.628 174.700 -0.024 0.000 1.033 543 T CA -0.618 61.519 62.100 0.061 0.000 1.084 543 T CB 0.991 69.925 68.868 0.110 0.000 0.979 543 T HN 0.512 nan 8.240 nan 0.000 0.532 544 V N 2.722 122.623 119.914 -0.022 0.000 2.325 544 V HA 0.332 4.452 4.120 0.000 0.000 0.280 544 V C 0.284 176.374 176.094 -0.008 0.000 1.016 544 V CA -0.686 61.600 62.300 -0.024 0.000 0.818 544 V CB 0.623 32.428 31.823 -0.031 0.000 1.019 544 V HN 0.938 nan 8.190 nan 0.000 0.434 545 E N 2.387 122.588 120.200 0.001 0.000 3.099 545 E HA 0.559 4.909 4.350 0.000 0.000 0.259 545 E C 1.303 177.907 176.600 0.007 0.000 1.274 545 E CA -0.012 56.391 56.400 0.006 0.000 1.111 545 E CB 0.564 30.270 29.700 0.011 0.000 1.327 545 E HN 0.744 nan 8.360 nan 0.000 0.652 546 G N 0.955 109.761 108.800 0.009 0.000 2.563 546 G HA2 -0.352 3.608 3.960 0.000 0.000 0.995 546 G HA3 -0.352 3.608 3.960 0.000 0.000 0.995 546 G C -0.262 174.644 174.900 0.011 0.000 1.295 546 G CA 0.805 45.911 45.100 0.010 0.000 0.855 546 G HN 0.599 nan 8.290 nan 0.000 0.640 547 Q N 0.330 120.137 119.800 0.012 0.000 2.389 547 Q HA 0.416 4.756 4.340 0.000 0.000 0.244 547 Q C 0.077 176.088 176.000 0.018 0.000 1.056 547 Q CA -0.129 55.682 55.803 0.014 0.000 0.908 547 Q CB 0.226 28.972 28.738 0.013 0.000 1.273 547 Q HN 0.521 nan 8.270 nan 0.000 0.471 548 N N 0.935 119.645 118.700 0.017 0.000 2.710 548 N HA -0.189 4.551 4.740 0.000 0.000 0.249 548 N C -1.270 174.256 175.510 0.028 0.000 1.059 548 N CA 1.506 54.568 53.050 0.020 0.000 0.720 548 N CB -1.085 37.414 38.487 0.021 0.000 0.983 548 N HN 0.801 nan 8.380 nan 0.000 0.544 549 S N -0.802 114.913 115.700 0.026 0.000 2.438 549 S HA 0.649 5.119 4.470 0.000 0.000 0.316 549 S C 0.305 174.921 174.600 0.027 0.000 1.084 549 S CA -0.971 57.250 58.200 0.035 0.000 1.107 549 S CB 1.418 64.638 63.200 0.032 0.000 0.981 549 S HN 0.240 nan 8.310 nan 0.000 0.466 550 I N 2.724 123.316 120.570 0.037 0.000 2.428 550 I HA 0.261 4.431 4.170 0.000 0.000 0.289 550 I C 0.795 176.933 176.117 0.035 0.000 1.019 550 I CA -0.308 61.004 61.300 0.019 0.000 1.351 550 I CB 1.456 39.479 38.000 0.038 0.000 1.412 550 I HN 0.670 nan 8.210 nan 0.000 0.513 551 S N 5.953 121.651 115.700 -0.004 0.000 2.537 551 S HA 0.398 4.868 4.470 0.000 0.000 0.275 551 S C 0.727 175.363 174.600 0.059 0.000 1.272 551 S CA -0.744 57.464 58.200 0.013 0.000 1.050 551 S CB 0.580 63.774 63.200 -0.011 0.000 0.961 551 S HN 0.559 nan 8.310 nan 0.000 0.496 552 I N 1.859 122.485 120.570 0.093 0.000 3.941 552 I HA 0.325 4.495 4.170 0.000 0.000 0.335 552 I C 1.565 177.721 176.117 0.064 0.000 1.402 552 I CA -0.154 61.239 61.300 0.155 0.000 1.112 552 I CB -0.282 37.775 38.000 0.094 0.000 1.043 552 I HN 0.705 nan 8.210 nan 0.000 0.395 553 E N 2.552 122.752 120.200 -0.000 0.000 2.196 553 E HA -0.336 4.014 4.350 0.000 0.000 0.222 553 E C 1.499 178.051 176.600 -0.081 0.000 1.072 553 E CA 2.654 59.019 56.400 -0.057 0.000 0.902 553 E CB 0.044 29.672 29.700 -0.120 0.000 0.780 553 E HN 0.633 nan 8.360 nan 0.000 0.467 554 N N -0.073 118.543 118.700 -0.139 0.000 2.062 554 N HA -0.144 4.596 4.740 0.000 0.000 0.191 554 N C 2.013 177.525 175.510 0.004 0.000 1.042 554 N CA 1.022 53.995 53.050 -0.128 0.000 0.845 554 N CB -0.590 37.788 38.487 -0.183 0.000 1.024 554 N HN 0.101 nan 8.380 nan 0.000 0.424 555 L N 1.514 122.746 121.223 0.016 0.000 2.051 555 L HA -0.173 4.167 4.340 0.000 0.000 0.214 555 L C 2.498 179.377 176.870 0.015 0.000 1.076 555 L CA 1.396 56.234 54.840 -0.003 0.000 0.758 555 L CB -0.546 41.482 42.059 -0.053 0.000 0.890 555 L HN 0.183 nan 8.230 nan 0.000 0.433 556 R N -1.301 119.215 120.500 0.026 0.000 2.094 556 R HA -0.267 4.073 4.340 0.000 0.000 0.239 556 R C 2.432 178.766 176.300 0.056 0.000 1.137 556 R CA 1.922 58.042 56.100 0.034 0.000 0.943 556 R CB -0.394 29.927 30.300 0.034 0.000 0.850 556 R HN 0.461 nan 8.270 nan 0.000 0.433 557 H N 0.632 119.685 119.070 -0.028 0.000 2.289 557 H HA -0.136 4.420 4.556 0.000 0.000 0.294 557 H C 1.654 176.978 175.328 -0.007 0.000 1.095 557 H CA 2.328 58.361 56.048 -0.026 0.000 1.256 557 H CB 0.104 29.832 29.762 -0.056 0.000 1.359 557 H HN 0.029 nan 8.280 nan 0.000 0.487 558 K N -0.508 119.876 120.400 -0.026 0.000 2.211 558 K HA -0.067 4.253 4.320 0.000 0.000 0.203 558 K C 2.222 178.816 176.600 -0.011 0.000 1.050 558 K CA 1.277 57.527 56.287 -0.061 0.000 0.945 558 K CB -0.233 32.288 32.500 0.036 0.000 0.732 558 K HN 0.403 nan 8.250 nan 0.000 0.451 559 T N 0.438 114.998 114.554 0.011 0.000 2.701 559 T HA -0.094 4.256 4.350 0.000 0.000 0.263 559 T C 1.927 176.652 174.700 0.043 0.000 1.040 559 T CA 1.672 63.803 62.100 0.052 0.000 1.147 559 T CB -0.456 68.433 68.868 0.035 0.000 0.865 559 T HN 0.443 nan 8.240 nan 0.000 0.426 560 G N 1.057 109.851 108.800 -0.010 0.000 2.485 560 G HA2 -0.170 3.790 3.960 0.000 0.000 0.221 560 G HA3 -0.170 3.790 3.960 0.000 0.000 0.221 560 G C 1.506 176.384 174.900 -0.037 0.000 1.115 560 G CA 0.763 45.850 45.100 -0.020 0.000 0.751 560 G HN 0.415 nan 8.290 nan 0.000 0.567 561 L N 0.296 121.469 121.223 -0.084 0.000 2.131 561 L HA 0.289 4.629 4.340 0.000 0.000 0.206 561 L C 2.600 179.508 176.870 0.063 0.000 1.087 561 L CA 0.897 55.702 54.840 -0.057 0.000 0.767 561 L CB -0.151 41.833 42.059 -0.125 0.000 0.917 561 L HN 0.208 nan 8.230 nan 0.000 0.441 562 I N -0.747 119.904 120.570 0.136 0.000 2.315 562 I HA -0.280 3.890 4.170 0.000 0.000 0.248 562 I C 2.663 178.965 176.117 0.309 0.000 1.117 562 I CA 1.134 62.610 61.300 0.292 0.000 1.404 562 I CB -0.341 37.852 38.000 0.321 0.000 1.071 562 I HN 0.301 nan 8.210 nan 0.000 0.419 563 R N 1.346 121.963 120.500 0.194 0.000 2.073 563 R HA -0.148 4.192 4.340 0.000 0.000 0.234 563 R C 2.263 178.623 176.300 0.099 0.000 1.134 563 R CA 1.622 57.821 56.100 0.165 0.000 0.952 563 R CB -0.232 30.131 30.300 0.105 0.000 0.850 563 R HN 0.324 nan 8.270 nan 0.000 0.433 564 A N 1.014 123.852 122.820 0.029 0.000 2.216 564 A HA -0.086 4.234 4.320 0.000 0.000 0.214 564 A C 1.781 179.279 177.584 -0.142 0.000 1.160 564 A CA 1.293 53.295 52.037 -0.058 0.000 0.725 564 A CB -0.366 18.586 19.000 -0.080 0.000 0.784 564 A HN 0.606 nan 8.150 nan 0.000 0.472 565 M N -5.113 114.438 119.600 -0.082 0.000 2.347 565 M HA 0.487 4.967 4.480 0.000 0.000 0.302 565 M C 0.388 176.571 176.300 -0.196 0.000 1.051 565 M CA 0.351 55.532 55.300 -0.198 0.000 0.988 565 M CB 0.344 32.822 32.600 -0.203 0.000 1.475 565 M HN 0.177 nan 8.290 nan 0.000 0.530 566 Y N -0.467 119.918 120.300 0.141 0.000 2.855 566 Y HA 0.346 4.896 4.550 0.000 0.000 0.251 566 Y C 1.364 177.230 175.900 -0.057 0.000 1.152 566 Y CA -0.439 57.715 58.100 0.090 0.000 1.201 566 Y CB 0.739 39.406 38.460 0.346 0.000 1.392 566 Y HN -0.008 nan 8.280 nan 0.000 0.470 567 L N 1.176 122.546 121.223 0.244 0.000 2.629 567 L HA 0.122 4.462 4.340 0.000 0.000 0.230 567 L C 1.311 178.196 176.870 0.024 0.000 1.151 567 L CA 0.353 55.298 54.840 0.175 0.000 0.924 567 L CB -0.063 42.121 42.059 0.208 0.000 1.137 567 L HN 0.298 nan 8.230 nan 0.000 0.457 568 N N 0.547 119.192 118.700 -0.091 0.000 2.510 568 N HA 0.127 4.867 4.740 0.000 0.000 0.186 568 N C 0.461 175.854 175.510 -0.195 0.000 1.051 568 N CA 1.109 54.092 53.050 -0.113 0.000 0.877 568 N CB 1.203 39.624 38.487 -0.110 0.000 1.183 568 N HN 0.212 nan 8.380 nan 0.000 0.443 569 G N -0.103 108.447 108.800 -0.416 0.000 2.521 569 G HA2 0.114 4.074 3.960 0.000 0.000 0.589 569 G HA3 0.114 4.074 3.960 0.000 0.000 0.589 569 G C -1.231 173.375 174.900 -0.490 0.000 1.501 569 G CA -0.845 43.971 45.100 -0.474 0.000 0.887 569 G HN 0.060 nan 8.290 nan 0.000 0.654 570 F N 0.483 120.366 119.950 -0.111 0.000 2.410 570 F HA 0.661 5.188 4.527 0.000 0.000 0.324 570 F C 1.572 177.253 175.800 -0.198 0.000 1.093 570 F CA -0.810 57.025 58.000 -0.275 0.000 1.028 570 F CB 1.378 40.127 39.000 -0.417 0.000 1.309 570 F HN 0.280 nan 8.300 nan 0.000 0.499 571 V N -0.637 119.247 119.914 -0.050 0.000 2.521 571 V HA 0.003 4.123 4.120 0.000 0.000 0.239 571 V C 0.406 176.450 176.094 -0.083 0.000 1.053 571 V CA 1.202 63.458 62.300 -0.073 0.000 1.073 571 V CB 0.076 31.829 31.823 -0.117 0.000 0.746 571 V HN 0.855 nan 8.190 nan 0.000 0.476 572 T N 0.459 114.917 114.554 -0.159 0.000 3.141 572 T HA 0.388 4.738 4.350 0.000 0.000 0.377 572 T C -0.285 174.243 174.700 -0.286 0.000 1.258 572 T CA -0.519 61.475 62.100 -0.177 0.000 1.263 572 T CB 0.679 69.427 68.868 -0.199 0.000 1.066 572 T HN 0.527 nan 8.240 nan 0.000 0.546 573 Q N 1.950 121.627 119.800 -0.205 0.000 2.333 573 Q HA 0.186 4.526 4.340 0.000 0.000 0.299 573 Q C -2.465 173.236 176.000 -0.499 0.000 1.067 573 Q CA -1.084 54.446 55.803 -0.455 0.000 0.943 573 Q CB -0.360 28.381 28.738 0.006 0.000 1.233 573 Q HN 0.228 nan 8.270 nan 0.000 0.401 574 P HA -0.005 nan 4.420 nan 0.000 0.269 574 P C -1.943 175.276 177.300 -0.135 0.000 1.209 574 P CA -1.045 61.816 63.100 -0.398 0.000 0.776 574 P CB 0.398 31.835 31.700 -0.439 0.000 0.876 575 P HA -0.256 nan 4.420 nan 0.000 0.216 575 P C 1.039 178.383 177.300 0.073 0.000 1.150 575 P CA 1.745 64.847 63.100 0.003 0.000 0.837 575 P CB -0.230 31.465 31.700 -0.009 0.000 0.786 576 A N -0.724 122.171 122.820 0.125 0.000 1.940 576 A HA -0.155 4.165 4.320 0.000 0.000 0.219 576 A C 1.879 179.590 177.584 0.211 0.000 1.176 576 A CA 1.383 53.529 52.037 0.182 0.000 0.631 576 A CB -1.849 17.314 19.000 0.273 0.000 0.814 576 A HN 0.222 nan 8.150 nan 0.000 0.446 577 W N -0.327 120.936 121.300 -0.061 0.000 3.180 577 W HA 0.246 4.906 4.660 0.000 0.000 0.254 577 W C 1.686 178.193 176.519 -0.020 0.000 1.318 577 W CA -0.398 56.920 57.345 -0.044 0.000 1.608 577 W CB -0.426 29.029 29.460 -0.009 0.000 1.124 577 W HN 0.275 nan 8.180 nan 0.000 0.694 578 I N 0.180 120.843 120.570 0.155 0.000 2.133 578 I HA -0.263 3.907 4.170 0.000 0.000 0.238 578 I C 2.474 178.619 176.117 0.047 0.000 1.074 578 I CA 1.348 62.703 61.300 0.090 0.000 1.342 578 I CB -0.326 37.704 38.000 0.049 0.000 1.053 578 I HN -0.180 nan 8.210 nan 0.000 0.404 579 R N 0.505 121.016 120.500 0.018 0.000 2.280 579 R HA 0.100 4.440 4.340 0.000 0.000 0.195 579 R C 0.724 176.992 176.300 -0.053 0.000 0.935 579 R CA 0.355 56.448 56.100 -0.012 0.000 1.033 579 R CB 0.028 30.322 30.300 -0.010 0.000 0.964 579 R HN 0.450 nan 8.270 nan 0.000 0.489 580 N N 0.071 118.713 118.700 -0.097 0.000 2.177 580 N HA 0.098 4.838 4.740 0.000 0.000 0.218 580 N C 1.159 176.456 175.510 -0.355 0.000 1.182 580 N CA 0.218 53.151 53.050 -0.194 0.000 0.882 580 N CB 1.011 39.379 38.487 -0.198 0.000 1.052 580 N HN 0.016 nan 8.380 nan 0.000 0.519 581 A N 2.061 124.702 122.820 -0.299 0.000 1.929 581 A HA -0.294 4.026 4.320 0.000 0.000 0.221 581 A C 2.137 179.482 177.584 -0.398 0.000 1.211 581 A CA 1.687 53.500 52.037 -0.374 0.000 0.657 581 A CB -0.471 18.506 19.000 -0.037 0.000 0.827 581 A HN 0.261 nan 8.150 nan 0.000 0.462 582 N N -0.124 118.438 118.700 -0.231 0.000 2.025 582 N HA -0.159 4.581 4.740 0.000 0.000 0.194 582 N C 2.213 177.590 175.510 -0.221 0.000 1.069 582 N CA 2.327 55.270 53.050 -0.179 0.000 0.855 582 N CB -0.745 37.678 38.487 -0.106 0.000 1.054 582 N HN 0.647 nan 8.380 nan 0.000 0.427 583 S N 1.098 116.684 115.700 -0.190 0.000 2.421 583 S HA -0.206 4.264 4.470 0.000 0.000 0.239 583 S C 1.581 176.045 174.600 -0.226 0.000 1.054 583 S CA 1.477 59.580 58.200 -0.162 0.000 1.035 583 S CB -0.769 62.354 63.200 -0.128 0.000 0.840 583 S HN 0.351 nan 8.310 nan 0.000 0.475 584 N N 1.049 119.474 118.700 -0.458 0.000 2.092 584 N HA -0.071 4.669 4.740 0.000 0.000 0.189 584 N C 1.793 177.010 175.510 -0.487 0.000 1.040 584 N CA 1.741 54.358 53.050 -0.721 0.000 0.845 584 N CB -0.559 36.953 38.487 -1.625 0.000 1.017 584 N HN 0.430 nan 8.380 nan 0.000 0.426 585 T N 1.566 115.837 114.554 -0.472 0.000 2.685 585 T HA -0.197 4.153 4.350 0.000 0.000 0.268 585 T C 1.946 176.623 174.700 -0.037 0.000 1.034 585 T CA 1.417 63.416 62.100 -0.168 0.000 1.149 585 T CB -0.346 68.459 68.868 -0.104 0.000 0.860 585 T HN 0.344 nan 8.240 nan 0.000 0.449 586 A N 1.514 124.299 122.820 -0.059 0.000 1.829 586 A HA -0.056 4.264 4.320 0.000 0.000 0.216 586 A C 2.230 179.859 177.584 0.074 0.000 1.207 586 A CA 1.729 53.768 52.037 0.004 0.000 0.622 586 A CB -1.233 17.754 19.000 -0.022 0.000 0.846 586 A HN 0.403 nan 8.150 nan 0.000 0.447 587 L N -0.453 120.819 121.223 0.082 0.000 2.054 587 L HA -0.228 4.112 4.340 0.000 0.000 0.220 587 L C 2.369 179.434 176.870 0.325 0.000 1.081 587 L CA 2.208 57.161 54.840 0.189 0.000 0.780 587 L CB -0.416 41.772 42.059 0.215 0.000 0.893 587 L HN 0.495 nan 8.230 nan 0.000 0.438 588 L N -1.882 119.532 121.223 0.318 0.000 2.093 588 L HA -0.186 4.154 4.340 0.000 0.000 0.208 588 L C 2.444 179.523 176.870 0.349 0.000 1.085 588 L CA 1.412 56.472 54.840 0.366 0.000 0.755 588 L CB -0.199 42.082 42.059 0.370 0.000 0.904 588 L HN 0.325 nan 8.230 nan 0.000 0.435 589 S N -0.334 115.512 115.700 0.244 0.000 2.348 589 S HA -0.229 4.241 4.470 0.000 0.000 0.221 589 S C 1.957 176.693 174.600 0.226 0.000 1.033 589 S CA 1.496 59.816 58.200 0.201 0.000 1.010 589 S CB -0.190 63.086 63.200 0.127 0.000 0.891 589 S HN 0.323 nan 8.310 nan 0.000 0.442 590 R N 0.920 121.564 120.500 0.240 0.000 2.096 590 R HA -0.016 4.324 4.340 0.000 0.000 0.235 590 R C 1.787 178.351 176.300 0.439 0.000 1.127 590 R CA 1.338 57.595 56.100 0.262 0.000 0.968 590 R CB -1.114 29.291 30.300 0.175 0.000 0.861 590 R HN 0.425 nan 8.270 nan 0.000 0.440 591 F N 0.628 120.802 119.950 0.374 0.000 2.046 591 F HA -0.178 4.349 4.527 0.000 0.000 0.297 591 F C 1.717 177.561 175.800 0.073 0.000 1.123 591 F CA 1.950 60.088 58.000 0.229 0.000 1.199 591 F CB -0.384 38.702 39.000 0.142 0.000 0.972 591 F HN 0.007 nan 8.300 nan 0.000 0.474 592 L N -0.228 121.158 121.223 0.270 0.000 2.127 592 L HA -0.230 4.110 4.340 0.000 0.000 0.211 592 L C 1.856 178.736 176.870 0.017 0.000 1.089 592 L CA 1.647 56.551 54.840 0.107 0.000 0.757 592 L CB -0.929 41.248 42.059 0.197 0.000 0.899 592 L HN 0.145 nan 8.230 nan 0.000 0.434 593 D N -0.044 120.398 120.400 0.071 0.000 2.310 593 D HA -0.074 4.566 4.640 0.000 0.000 0.212 593 D C 1.844 178.150 176.300 0.011 0.000 0.965 593 D CA 1.029 55.059 54.000 0.051 0.000 0.879 593 D CB 0.229 41.079 40.800 0.084 0.000 0.921 593 D HN 0.294 nan 8.370 nan 0.000 0.510 594 A N -0.742 122.056 122.820 -0.035 0.000 2.343 594 A HA 0.072 4.392 4.320 0.000 0.000 0.223 594 A C 2.065 179.506 177.584 -0.237 0.000 1.214 594 A CA 0.765 52.753 52.037 -0.082 0.000 0.900 594 A CB -0.489 18.536 19.000 0.042 0.000 0.942 594 A HN 0.259 nan 8.150 nan 0.000 0.507 595 T N -1.251 113.105 114.554 -0.328 0.000 2.778 595 T HA -0.106 4.244 4.350 0.000 0.000 0.269 595 T C -0.422 174.142 174.700 -0.227 0.000 1.050 595 T CA 1.705 63.587 62.100 -0.363 0.000 1.137 595 T CB -1.490 67.189 68.868 -0.315 0.000 0.860 595 T HN 0.301 nan 8.240 nan 0.000 0.468 596 P HA 0.007 nan 4.420 nan 0.000 0.225 596 P C 1.416 178.653 177.300 -0.105 0.000 1.148 596 P CA 0.634 63.681 63.100 -0.088 0.000 0.779 596 P CB -0.235 31.450 31.700 -0.025 0.000 0.780 597 N N -0.590 118.031 118.700 -0.131 0.000 2.272 597 N HA -0.105 4.635 4.740 0.000 0.000 0.185 597 N C 1.542 176.932 175.510 -0.199 0.000 1.014 597 N CA 0.891 53.854 53.050 -0.144 0.000 0.870 597 N CB -0.646 37.752 38.487 -0.148 0.000 0.975 597 N HN 0.241 nan 8.380 nan 0.000 0.433 598 L N 0.572 121.652 121.223 -0.239 0.000 2.447 598 L HA -0.150 4.190 4.340 0.000 0.000 0.225 598 L C 2.122 178.805 176.870 -0.311 0.000 1.148 598 L CA 0.174 54.842 54.840 -0.286 0.000 0.808 598 L CB -0.331 41.532 42.059 -0.326 0.000 0.928 598 L HN 0.156 nan 8.230 nan 0.000 0.448 599 L N 0.522 121.608 121.223 -0.227 0.000 2.137 599 L HA -0.167 4.173 4.340 0.000 0.000 0.213 599 L C 2.312 179.110 176.870 -0.120 0.000 1.085 599 L CA 2.131 56.890 54.840 -0.134 0.000 0.760 599 L CB -1.070 40.952 42.059 -0.063 0.000 0.893 599 L HN 0.166 nan 8.230 nan 0.000 0.434 600 G N -0.105 108.588 108.800 -0.178 0.000 2.469 600 G HA2 -0.312 3.648 3.960 0.000 0.000 0.219 600 G HA3 -0.312 3.648 3.960 0.000 0.000 0.219 600 G C 1.620 176.461 174.900 -0.098 0.000 1.150 600 G CA 1.386 46.389 45.100 -0.160 0.000 0.763 600 G HN 0.523 nan 8.290 nan 0.000 0.561 601 I N -0.806 119.692 120.570 -0.120 0.000 2.142 601 I HA -0.205 3.965 4.170 0.000 0.000 0.240 601 I C 2.499 178.651 176.117 0.057 0.000 1.078 601 I CA 1.192 62.455 61.300 -0.062 0.000 1.343 601 I CB -0.437 37.493 38.000 -0.117 0.000 1.046 601 I HN 0.224 nan 8.210 nan 0.000 0.405 602 Y N 1.233 121.506 120.300 -0.046 0.000 2.181 602 Y HA -0.326 4.224 4.550 0.000 0.000 0.284 602 Y C 2.651 178.531 175.900 -0.034 0.000 1.179 602 Y CA 1.069 59.149 58.100 -0.034 0.000 1.179 602 Y CB -0.221 38.218 38.460 -0.035 0.000 0.973 602 Y HN 0.324 nan 8.280 nan 0.000 0.519 603 E N 0.171 120.441 120.200 0.116 0.000 2.006 603 E HA -0.208 4.142 4.350 0.000 0.000 0.192 603 E C 2.477 179.093 176.600 0.028 0.000 0.993 603 E CA 0.790 57.213 56.400 0.038 0.000 0.808 603 E CB -0.389 29.301 29.700 -0.017 0.000 0.764 603 E HN 0.411 nan 8.360 nan 0.000 0.449 604 A N 1.221 124.054 122.820 0.022 0.000 2.042 604 A HA -0.226 4.094 4.320 0.000 0.000 0.222 604 A C 2.144 179.750 177.584 0.036 0.000 1.167 604 A CA 1.373 53.428 52.037 0.030 0.000 0.649 604 A CB -0.706 18.309 19.000 0.026 0.000 0.809 604 A HN 0.185 nan 8.150 nan 0.000 0.457 605 I N -1.062 119.538 120.570 0.050 0.000 2.270 605 I HA -0.142 4.028 4.170 0.000 0.000 0.239 605 I C 2.209 178.341 176.117 0.025 0.000 1.080 605 I CA 0.817 62.145 61.300 0.047 0.000 1.383 605 I CB -0.355 37.690 38.000 0.074 0.000 1.097 605 I HN 0.240 nan 8.210 nan 0.000 0.420 606 L N 0.898 122.133 121.223 0.021 0.000 2.261 606 L HA -0.207 4.133 4.340 0.000 0.000 0.216 606 L C 2.773 179.640 176.870 -0.005 0.000 1.114 606 L CA 0.932 55.770 54.840 -0.003 0.000 0.777 606 L CB -0.712 41.339 42.059 -0.014 0.000 0.910 606 L HN 0.275 nan 8.230 nan 0.000 0.440 607 A N 0.188 123.004 122.820 -0.008 0.000 1.940 607 A HA -0.165 4.155 4.320 0.000 0.000 0.219 607 A C 1.351 178.910 177.584 -0.042 0.000 1.176 607 A CA 1.524 53.541 52.037 -0.035 0.000 0.631 607 A CB -0.393 18.583 19.000 -0.040 0.000 0.814 607 A HN 0.449 nan 8.150 nan 0.000 0.446 608 N N 0.225 118.915 118.700 -0.017 0.000 2.994 608 N HA 0.123 4.863 4.740 0.000 0.000 0.306 608 N C 0.575 176.103 175.510 0.031 0.000 1.348 608 N CA 0.389 53.437 53.050 -0.003 0.000 1.109 608 N CB 0.191 38.683 38.487 0.009 0.000 1.415 608 N HN 0.361 nan 8.380 nan 0.000 0.529 609 T N -0.347 114.234 114.554 0.044 0.000 2.674 609 T HA -0.145 4.205 4.350 0.000 0.000 0.265 609 T C 1.387 176.093 174.700 0.009 0.000 1.039 609 T CA 1.309 63.416 62.100 0.012 0.000 1.150 609 T CB -0.303 68.560 68.868 -0.007 0.000 0.864 609 T HN 0.337 nan 8.240 nan 0.000 0.427 610 Y N 1.468 121.787 120.300 0.033 0.000 2.128 610 Y HA -0.079 4.471 4.550 0.000 0.000 0.284 610 Y C 2.741 178.631 175.900 -0.017 0.000 1.154 610 Y CA 0.942 59.084 58.100 0.069 0.000 1.149 610 Y CB -0.799 37.819 38.460 0.263 0.000 0.976 610 Y HN 0.208 nan 8.280 nan 0.000 0.505 611 A N 0.066 122.977 122.820 0.153 0.000 1.972 611 A HA -0.185 4.135 4.320 0.000 0.000 0.219 611 A C 1.985 179.569 177.584 0.000 0.000 1.169 611 A CA 1.786 53.853 52.037 0.051 0.000 0.635 611 A CB -0.556 18.492 19.000 0.079 0.000 0.810 611 A HN 0.446 nan 8.150 nan 0.000 0.446 612 N N -0.150 118.551 118.700 0.001 0.000 2.331 612 N HA 0.023 4.763 4.740 0.000 0.000 0.180 612 N C 1.541 176.991 175.510 -0.100 0.000 1.019 612 N CA 1.361 54.403 53.050 -0.013 0.000 0.881 612 N CB -0.139 38.343 38.487 -0.008 0.000 0.972 612 N HN 0.521 nan 8.380 nan 0.000 0.435 613 A N -0.079 122.652 122.820 -0.147 0.000 1.999 613 A HA 0.179 4.499 4.320 0.000 0.000 0.200 613 A C 0.829 178.245 177.584 -0.279 0.000 1.363 613 A CA -0.054 51.861 52.037 -0.204 0.000 0.844 613 A CB 0.082 18.970 19.000 -0.186 0.000 0.954 613 A HN -0.003 nan 8.150 nan 0.000 0.481 614 V N 3.238 122.988 119.914 -0.273 0.000 2.266 614 V HA 0.289 4.409 4.120 0.000 0.000 0.240 614 V C -0.298 175.506 176.094 -0.484 0.000 1.225 614 V CA 0.613 62.696 62.300 -0.361 0.000 1.237 614 V CB -1.991 29.637 31.823 -0.326 0.000 1.343 614 V HN 0.827 nan 8.190 nan 0.000 0.496 615 N N 1.524 119.908 118.700 -0.527 0.000 3.355 615 N HA 0.284 5.024 4.740 0.000 0.000 0.238 615 N C -0.279 174.846 175.510 -0.641 0.000 1.466 615 N CA -0.771 51.895 53.050 -0.641 0.000 0.882 615 N CB 1.555 39.420 38.487 -1.037 0.000 1.406 615 N HN -0.211 nan 8.380 nan 0.000 0.500 616 V N -0.099 119.477 119.914 -0.562 0.000 2.725 616 V HA -0.054 4.066 4.120 0.000 0.000 0.247 616 V C 1.460 177.394 176.094 -0.267 0.000 1.058 616 V CA 1.389 63.444 62.300 -0.410 0.000 1.080 616 V CB -1.248 30.471 31.823 -0.173 0.000 0.713 616 V HN 0.749 nan 8.190 nan 0.000 0.465 617 Y N 1.046 121.289 120.300 -0.095 0.000 2.439 617 Y HA 0.032 4.582 4.550 0.000 0.000 0.292 617 Y C 1.701 177.577 175.900 -0.041 0.000 1.130 617 Y CA -0.702 57.362 58.100 -0.058 0.000 1.254 617 Y CB -1.866 36.575 38.460 -0.032 0.000 1.000 617 Y HN 0.373 nan 8.280 nan 0.000 0.554 618 C N 1.374 120.618 119.300 -0.094 0.000 2.657 618 C HA 0.580 5.040 4.460 0.000 0.000 0.404 618 C C -0.070 174.921 174.990 0.002 0.000 1.291 618 C CA -0.861 58.153 59.018 -0.007 0.000 2.218 618 C CB 0.683 28.365 27.740 -0.096 0.000 2.687 618 C HN 0.579 nan 8.230 nan 0.000 0.634 619 D N -0.371 120.063 120.400 0.058 0.000 2.622 619 D HA 0.438 5.078 4.640 0.000 0.000 0.255 619 D C -0.082 176.258 176.300 0.066 0.000 1.246 619 D CA 0.157 54.210 54.000 0.087 0.000 0.795 619 D CB 1.960 42.891 40.800 0.218 0.000 1.369 619 D HN 0.839 nan 8.370 nan 0.000 0.425 620 S N -0.559 115.172 115.700 0.052 0.000 2.893 620 S HA 0.281 4.751 4.470 0.000 0.000 0.258 620 S C -0.127 174.496 174.600 0.037 0.000 1.034 620 S CA -0.038 58.178 58.200 0.026 0.000 1.167 620 S CB -0.357 62.835 63.200 -0.013 0.000 1.137 620 S HN 0.488 nan 8.310 nan 0.000 0.650 621 V N 0.661 120.609 119.914 0.056 0.000 2.398 621 V HA 0.635 4.755 4.120 0.000 0.000 0.286 621 V C -0.533 175.606 176.094 0.075 0.000 1.026 621 V CA -1.002 61.329 62.300 0.051 0.000 0.868 621 V CB 0.350 32.186 31.823 0.022 0.000 0.982 621 V HN 0.336 nan 8.190 nan 0.000 0.443 622 Y N 5.626 125.895 120.300 -0.051 0.000 2.585 622 Y HA 0.420 4.970 4.550 0.000 0.000 0.354 622 Y C 0.830 176.681 175.900 -0.082 0.000 1.024 622 Y CA -0.854 57.211 58.100 -0.058 0.000 1.321 622 Y CB 0.318 38.761 38.460 -0.028 0.000 1.151 622 Y HN 0.677 nan 8.280 nan 0.000 0.525 623 R N 5.323 125.595 120.500 -0.380 0.000 2.272 623 R HA 0.317 4.657 4.340 0.000 0.000 0.334 623 R C 1.036 176.932 176.300 -0.673 0.000 1.117 623 R CA 0.382 56.208 56.100 -0.457 0.000 0.966 623 R CB 0.640 30.671 30.300 -0.448 0.000 1.049 623 R HN 0.869 nan 8.270 nan 0.000 0.477 624 A N 3.337 125.701 122.820 -0.759 0.000 2.015 624 A HA -0.200 4.120 4.320 0.000 0.000 0.219 624 A C 1.443 178.821 177.584 -0.342 0.000 1.163 624 A CA 1.641 53.260 52.037 -0.696 0.000 0.646 624 A CB -0.256 18.464 19.000 -0.467 0.000 0.806 624 A HN 0.833 nan 8.150 nan 0.000 0.448 625 D N -0.609 119.610 120.400 -0.302 0.000 2.378 625 D HA -0.032 4.608 4.640 0.000 0.000 0.222 625 D C 0.467 176.617 176.300 -0.250 0.000 0.980 625 D CA 0.051 53.909 54.000 -0.238 0.000 0.907 625 D CB -0.271 40.412 40.800 -0.195 0.000 0.899 625 D HN 0.266 nan 8.370 nan 0.000 0.527 626 I N 1.736 122.152 120.570 -0.257 0.000 2.668 626 I HA 0.064 4.234 4.170 0.000 0.000 0.285 626 I C -1.952 173.961 176.117 -0.339 0.000 1.168 626 I CA -2.534 58.591 61.300 -0.292 0.000 1.424 626 I CB -0.316 37.604 38.000 -0.134 0.000 1.377 626 I HN -0.135 nan 8.210 nan 0.000 0.560 627 P HA -0.019 nan 4.420 nan 0.000 0.260 627 P C 1.062 178.190 177.300 -0.286 0.000 1.185 627 P CA 0.099 62.818 63.100 -0.635 0.000 0.763 627 P CB 0.504 31.401 31.700 -1.338 0.000 0.776 628 I N 4.163 124.696 120.570 -0.061 0.000 2.530 628 I HA -0.254 3.916 4.170 0.000 0.000 0.257 628 I C 1.312 177.552 176.117 0.204 0.000 1.179 628 I CA 1.752 63.105 61.300 0.089 0.000 1.440 628 I CB -0.300 37.736 38.000 0.061 0.000 1.087 628 I HN 0.302 nan 8.210 nan 0.000 0.440 629 E N -1.054 119.249 120.200 0.172 0.000 2.427 629 E HA -0.157 4.193 4.350 0.000 0.000 0.196 629 E C 1.347 178.216 176.600 0.449 0.000 1.028 629 E CA 0.575 57.151 56.400 0.293 0.000 0.864 629 E CB -0.417 29.444 29.700 0.268 0.000 0.813 629 E HN 0.526 nan 8.360 nan 0.000 0.514 630 W N 1.700 123.083 121.300 0.137 0.000 2.658 630 W HA 0.203 4.863 4.660 0.000 0.000 0.263 630 W C 0.293 176.885 176.519 0.121 0.000 1.274 630 W CA -0.409 57.003 57.345 0.112 0.000 1.343 630 W CB -0.145 29.380 29.460 0.107 0.000 1.106 630 W HN -0.105 nan 8.180 nan 0.000 0.615 631 K N 0.765 121.401 120.400 0.394 0.000 2.237 631 K HA 0.291 4.611 4.320 0.000 0.000 0.270 631 K C -0.314 176.384 176.600 0.164 0.000 1.015 631 K CA -0.576 55.887 56.287 0.294 0.000 0.949 631 K CB 0.828 33.562 32.500 0.390 0.000 0.976 631 K HN -0.355 nan 8.250 nan 0.000 0.472 632 L N 2.040 123.283 121.223 0.033 0.000 2.375 632 L HA 0.413 4.753 4.340 0.000 0.000 0.268 632 L C -0.207 176.499 176.870 -0.272 0.000 1.058 632 L CA -0.261 54.507 54.840 -0.121 0.000 0.803 632 L CB 0.803 42.810 42.059 -0.086 0.000 1.212 632 L HN 0.740 nan 8.230 nan 0.000 0.451 633 H N -1.511 117.352 119.070 -0.346 0.000 3.079 633 H HA 0.726 5.282 4.556 0.000 0.000 0.356 633 H C -1.489 173.716 175.328 -0.204 0.000 1.221 633 H CA -1.090 54.681 56.048 -0.461 0.000 1.185 633 H CB 1.146 30.278 29.762 -1.049 0.000 1.882 633 H HN 0.549 nan 8.280 nan 0.000 0.543 634 Q N 1.214 120.999 119.800 -0.025 0.000 2.495 634 Q HA 0.701 5.041 4.340 0.000 0.000 0.287 634 Q C -1.244 174.720 176.000 -0.060 0.000 1.078 634 Q CA -1.354 54.423 55.803 -0.044 0.000 0.793 634 Q CB 2.238 30.933 28.738 -0.070 0.000 1.459 634 Q HN 0.565 nan 8.270 nan 0.000 0.422 635 S N 0.311 115.971 115.700 -0.067 0.000 2.610 635 S HA 0.577 5.047 4.470 0.000 0.000 0.273 635 S C -0.647 173.840 174.600 -0.188 0.000 1.274 635 S CA -0.563 57.585 58.200 -0.087 0.000 1.023 635 S CB 1.207 64.379 63.200 -0.046 0.000 0.962 635 S HN 0.387 nan 8.310 nan 0.000 0.523 636 V N 2.406 122.194 119.914 -0.210 0.000 2.686 636 V HA 0.382 4.502 4.120 0.000 0.000 0.306 636 V C -0.975 174.968 176.094 -0.251 0.000 1.065 636 V CA -0.803 61.314 62.300 -0.305 0.000 0.894 636 V CB 2.145 33.701 31.823 -0.445 0.000 1.004 636 V HN 0.796 nan 8.190 nan 0.000 0.424 637 D N 5.649 125.892 120.400 -0.261 0.000 2.441 637 D HA 0.431 5.071 4.640 0.000 0.000 0.231 637 D C -1.861 174.231 176.300 -0.346 0.000 1.073 637 D CA -2.046 51.827 54.000 -0.211 0.000 0.850 637 D CB 2.599 43.327 40.800 -0.119 0.000 1.062 637 D HN 0.158 nan 8.370 nan 0.000 0.524 638 P HA -0.157 nan 4.420 nan 0.000 0.218 638 P C 1.169 178.223 177.300 -0.410 0.000 1.146 638 P CA 1.134 63.868 63.100 -0.609 0.000 0.813 638 P CB 0.379 31.651 31.700 -0.714 0.000 0.778 639 Q N -0.833 118.784 119.800 -0.306 0.000 2.167 639 Q HA -0.165 4.176 4.340 0.000 0.000 0.202 639 Q C 1.572 177.507 176.000 -0.108 0.000 0.970 639 Q CA 1.083 56.780 55.803 -0.177 0.000 0.855 639 Q CB -0.495 28.197 28.738 -0.076 0.000 0.911 639 Q HN 0.325 nan 8.270 nan 0.000 0.438 640 D N 0.884 121.215 120.400 -0.116 0.000 2.190 640 D HA -0.170 4.470 4.640 0.000 0.000 0.200 640 D C 1.714 177.999 176.300 -0.025 0.000 0.992 640 D CA 0.722 54.689 54.000 -0.055 0.000 0.854 640 D CB -0.098 40.657 40.800 -0.074 0.000 0.936 640 D HN 0.146 nan 8.370 nan 0.000 0.462 641 L N 0.512 121.684 121.223 -0.086 0.000 2.450 641 L HA -0.106 4.234 4.340 0.000 0.000 0.224 641 L C 1.895 178.752 176.870 -0.022 0.000 1.149 641 L CA 0.738 55.548 54.840 -0.050 0.000 0.816 641 L CB -0.288 41.736 42.059 -0.058 0.000 0.932 641 L HN -0.034 nan 8.230 nan 0.000 0.449 642 L N -1.039 120.194 121.223 0.018 0.000 1.948 642 L HA -0.220 4.120 4.340 0.000 0.000 0.212 642 L C 2.261 179.174 176.870 0.073 0.000 1.074 642 L CA 2.062 56.944 54.840 0.070 0.000 0.753 642 L CB -1.080 41.041 42.059 0.103 0.000 0.888 642 L HN 0.353 nan 8.230 nan 0.000 0.432 643 F N 0.607 120.573 119.950 0.027 0.000 2.236 643 F HA -0.129 4.398 4.527 0.000 0.000 0.302 643 F C 2.047 177.850 175.800 0.006 0.000 1.073 643 F CA 1.359 59.403 58.000 0.072 0.000 1.336 643 F CB -1.020 38.011 39.000 0.052 0.000 1.040 643 F HN 0.159 nan 8.300 nan 0.000 0.507 644 G N -0.335 108.377 108.800 -0.146 0.000 2.422 644 G HA2 -0.167 3.793 3.960 0.000 0.000 0.218 644 G HA3 -0.167 3.793 3.960 0.000 0.000 0.218 644 G C 1.705 176.402 174.900 -0.338 0.000 1.140 644 G CA 1.044 45.974 45.100 -0.284 0.000 0.775 644 G HN 0.345 nan 8.290 nan 0.000 0.545 645 V N -0.104 119.584 119.914 -0.378 0.000 2.548 645 V HA 0.001 4.121 4.120 0.000 0.000 0.249 645 V C 2.321 178.133 176.094 -0.471 0.000 1.055 645 V CA 1.272 63.245 62.300 -0.544 0.000 1.065 645 V CB -0.542 30.724 31.823 -0.929 0.000 0.681 645 V HN 0.409 nan 8.190 nan 0.000 0.462 646 F N 0.469 120.303 119.950 -0.192 0.000 2.317 646 F HA 0.211 4.738 4.527 0.000 0.000 0.290 646 F C 2.427 178.082 175.800 -0.241 0.000 1.075 646 F CA 0.768 58.684 58.000 -0.140 0.000 1.380 646 F CB -0.544 38.461 39.000 0.007 0.000 1.093 646 F HN 0.199 nan 8.300 nan 0.000 0.524 647 G N 0.865 109.445 108.800 -0.367 0.000 2.404 647 G HA2 -0.031 3.929 3.960 0.000 0.000 0.213 647 G HA3 -0.031 3.929 3.960 0.000 0.000 0.213 647 G C 0.771 175.424 174.900 -0.412 0.000 1.189 647 G CA -0.094 44.619 45.100 -0.645 0.000 0.796 647 G HN 0.094 nan 8.290 nan 0.000 0.532 648 I N 1.394 121.715 120.570 -0.415 0.000 2.906 648 I HA -0.014 4.156 4.170 0.000 0.000 0.302 648 I C -0.362 175.638 176.117 -0.196 0.000 1.220 648 I CA 0.159 61.296 61.300 -0.272 0.000 1.441 648 I CB 0.897 38.745 38.000 -0.252 0.000 1.336 648 I HN -0.180 nan 8.210 nan 0.000 0.565 649 V N 8.881 128.696 119.914 -0.166 0.000 2.334 649 V HA 0.276 4.396 4.120 0.000 0.000 0.281 649 V C -2.144 173.825 176.094 -0.208 0.000 1.016 649 V CA -1.738 60.481 62.300 -0.136 0.000 0.832 649 V CB 1.322 33.099 31.823 -0.078 0.000 0.999 649 V HN 0.578 nan 8.190 nan 0.000 0.439 650 P HA 0.216 nan 4.420 nan 0.000 0.271 650 P C -0.690 176.219 177.300 -0.652 0.000 1.216 650 P CA -0.276 62.484 63.100 -0.567 0.000 0.776 650 P CB 0.483 31.654 31.700 -0.881 0.000 0.881 651 Q N 1.878 121.440 119.800 -0.397 0.000 2.241 651 Q HA 0.215 4.555 4.340 0.000 0.000 0.254 651 Q C -0.221 175.641 176.000 -0.229 0.000 0.917 651 Q CA -0.185 55.521 55.803 -0.162 0.000 0.919 651 Q CB 0.753 29.458 28.738 -0.054 0.000 1.237 651 Q HN 0.506 nan 8.270 nan 0.000 0.434 652 Y N 0.263 120.560 120.300 -0.004 0.000 2.532 652 Y HA 0.094 4.644 4.550 0.000 0.000 0.283 652 Y C 0.413 176.309 175.900 -0.005 0.000 1.181 652 Y CA -0.277 57.821 58.100 -0.003 0.000 1.256 652 Y CB 0.538 38.997 38.460 -0.003 0.000 1.112 652 Y HN 0.432 nan 8.280 nan 0.000 0.521 653 Q N -0.802 119.051 119.800 0.089 0.000 2.309 653 Q HA 0.530 4.870 4.340 0.000 0.000 0.273 653 Q C -1.473 174.522 176.000 -0.007 0.000 1.040 653 Q CA -0.764 55.063 55.803 0.039 0.000 0.834 653 Q CB 1.644 30.405 28.738 0.038 0.000 1.345 653 Q HN 0.174 nan 8.270 nan 0.000 0.414 654 I N 3.257 123.806 120.570 -0.034 0.000 2.428 654 I HA 0.110 4.280 4.170 0.000 0.000 0.289 654 I C -0.107 175.929 176.117 -0.136 0.000 1.019 654 I CA -0.462 60.793 61.300 -0.075 0.000 1.351 654 I CB 1.090 39.043 38.000 -0.078 0.000 1.412 654 I HN 0.718 nan 8.210 nan 0.000 0.513 655 L N 4.985 126.109 121.223 -0.164 0.000 2.840 655 L HA 0.337 4.677 4.340 0.000 0.000 0.249 655 L C -0.001 176.653 176.870 -0.360 0.000 1.119 655 L CA 0.597 55.295 54.840 -0.238 0.000 0.930 655 L CB -0.029 41.951 42.059 -0.132 0.000 1.295 655 L HN 0.519 nan 8.230 nan 0.000 0.534 656 N N 0.464 118.992 118.700 -0.288 0.000 2.371 656 N HA 0.304 5.044 4.740 0.000 0.000 0.291 656 N C -1.126 174.217 175.510 -0.278 0.000 1.053 656 N CA -0.254 52.635 53.050 -0.268 0.000 0.870 656 N CB 2.085 40.470 38.487 -0.170 0.000 1.503 656 N HN 0.092 nan 8.380 nan 0.000 0.485 657 E N 0.803 120.775 120.200 -0.380 0.000 2.204 657 E HA 0.626 4.976 4.350 0.000 0.000 0.276 657 E C -0.522 175.806 176.600 -0.454 0.000 0.974 657 E CA -0.995 55.091 56.400 -0.523 0.000 0.815 657 E CB 1.880 30.945 29.700 -1.058 0.000 1.119 657 E HN 0.516 nan 8.360 nan 0.000 0.393 658 A N 1.976 124.653 122.820 -0.238 0.000 2.316 658 A HA 0.341 4.661 4.320 0.000 0.000 0.284 658 A C 0.053 177.690 177.584 0.088 0.000 1.115 658 A CA -0.716 51.288 52.037 -0.055 0.000 0.812 658 A CB 0.565 19.563 19.000 -0.002 0.000 1.064 658 A HN 0.419 nan 8.150 nan 0.000 0.489 659 V N 3.922 123.949 119.914 0.189 0.000 2.425 659 V HA 0.160 4.280 4.120 0.000 0.000 0.276 659 V C -1.704 174.504 176.094 0.191 0.000 1.017 659 V CA -0.921 61.559 62.300 0.299 0.000 1.062 659 V CB -0.276 31.708 31.823 0.268 0.000 0.997 659 V HN 0.829 nan 8.190 nan 0.000 0.476 660 P HA 0.115 nan 4.420 nan 0.000 0.269 660 P C 0.080 177.303 177.300 -0.128 0.000 1.215 660 P CA -0.173 62.831 63.100 -0.161 0.000 0.780 660 P CB 1.225 32.602 31.700 -0.538 0.000 0.898 661 D N 0.302 120.663 120.400 -0.064 0.000 2.323 661 D HA 0.055 4.695 4.640 0.000 0.000 0.209 661 D C 0.823 177.222 176.300 0.166 0.000 0.973 661 D CA 0.235 54.308 54.000 0.121 0.000 0.874 661 D CB -0.347 40.597 40.800 0.240 0.000 0.930 661 D HN 0.359 nan 8.370 nan 0.000 0.521 662 F N -0.958 118.980 119.950 -0.021 0.000 2.216 662 F HA -0.394 4.133 4.527 0.000 0.000 0.313 662 F C 1.414 177.074 175.800 -0.233 0.000 1.030 662 F CA 0.718 58.631 58.000 -0.145 0.000 0.956 662 F CB -1.393 37.632 39.000 0.042 0.000 4.025 662 F HN -0.107 nan 8.300 nan 0.000 0.164 663 F N 1.154 121.277 119.950 0.289 0.000 2.641 663 F HA 0.252 4.779 4.527 0.000 0.000 0.298 663 F C 1.692 177.586 175.800 0.157 0.000 1.146 663 F CA 0.352 58.455 58.000 0.171 0.000 1.464 663 F CB -0.853 38.248 39.000 0.168 0.000 1.101 663 F HN 0.443 nan 8.300 nan 0.000 0.585 664 A N 0.349 123.343 122.820 0.289 0.000 2.587 664 A HA 0.317 4.637 4.320 0.000 0.000 0.235 664 A C 1.658 179.372 177.584 0.217 0.000 1.044 664 A CA 0.760 52.939 52.037 0.237 0.000 0.754 664 A CB -0.745 18.390 19.000 0.225 0.000 0.968 664 A HN 0.939 nan 8.150 nan 0.000 0.509 665 G N 1.174 110.086 108.800 0.187 0.000 2.184 665 G HA2 -0.139 3.821 3.960 0.000 0.000 0.264 665 G HA3 -0.139 3.821 3.960 0.000 0.000 0.264 665 G C 1.180 176.190 174.900 0.182 0.000 0.975 665 G CA 0.986 46.185 45.100 0.165 0.000 0.642 665 G HN 1.966 nan 8.290 nan 0.000 0.536 666 G N 0.693 109.635 108.800 0.236 0.000 2.777 666 G HA2 0.227 4.187 3.960 0.000 0.000 0.211 666 G HA3 0.227 4.187 3.960 0.000 0.000 0.211 666 G C 1.403 176.409 174.900 0.176 0.000 1.149 666 G CA 1.257 46.535 45.100 0.297 0.000 0.785 666 G HN 0.757 nan 8.290 nan 0.000 0.536 667 E N 1.693 121.974 120.200 0.135 0.000 2.130 667 E HA -0.210 4.140 4.350 0.000 0.000 0.196 667 E C 1.136 177.760 176.600 0.040 0.000 0.998 667 E CA 1.345 57.789 56.400 0.074 0.000 0.806 667 E CB -0.485 29.259 29.700 0.073 0.000 0.738 667 E HN 0.278 nan 8.360 nan 0.000 0.459 668 D N 0.842 121.289 120.400 0.078 0.000 2.149 668 D HA -0.112 4.528 4.640 0.000 0.000 0.198 668 D C 2.067 178.354 176.300 -0.021 0.000 0.990 668 D CA 0.960 55.014 54.000 0.090 0.000 0.839 668 D CB -0.118 40.780 40.800 0.164 0.000 0.948 668 D HN 0.243 nan 8.370 nan 0.000 0.460 669 I N 0.635 121.197 120.570 -0.012 0.000 2.202 669 I HA -0.187 3.983 4.170 0.000 0.000 0.242 669 I C 2.345 178.389 176.117 -0.122 0.000 1.091 669 I CA 0.451 61.705 61.300 -0.077 0.000 1.368 669 I CB -0.609 37.314 38.000 -0.128 0.000 1.058 669 I HN -0.024 nan 8.210 nan 0.000 0.410 670 L N 0.487 121.642 121.223 -0.112 0.000 2.013 670 L HA -0.236 4.104 4.340 0.000 0.000 0.212 670 L C 2.363 179.109 176.870 -0.207 0.000 1.073 670 L CA 1.956 56.705 54.840 -0.150 0.000 0.753 670 L CB -0.599 41.392 42.059 -0.113 0.000 0.890 670 L HN 0.129 nan 8.230 nan 0.000 0.432 671 I N -0.731 119.717 120.570 -0.204 0.000 2.127 671 I HA -0.336 3.834 4.170 0.000 0.000 0.241 671 I C 2.626 178.563 176.117 -0.301 0.000 1.075 671 I CA 1.612 62.749 61.300 -0.272 0.000 1.334 671 I CB -1.261 36.551 38.000 -0.313 0.000 1.040 671 I HN 0.333 nan 8.210 nan 0.000 0.405 672 L N 0.051 121.079 121.223 -0.324 0.000 1.989 672 L HA -0.284 4.056 4.340 0.000 0.000 0.211 672 L C 2.763 179.677 176.870 0.072 0.000 1.071 672 L CA 1.633 56.353 54.840 -0.200 0.000 0.749 672 L CB -0.673 41.294 42.059 -0.153 0.000 0.890 672 L HN 0.346 nan 8.230 nan 0.000 0.431 673 Q N -0.720 119.085 119.800 0.007 0.000 2.135 673 Q HA -0.250 4.090 4.340 0.000 0.000 0.204 673 Q C 2.220 178.206 176.000 -0.023 0.000 0.981 673 Q CA 1.216 57.022 55.803 0.006 0.000 0.856 673 Q CB -0.168 28.532 28.738 -0.062 0.000 0.902 673 Q HN 0.322 nan 8.270 nan 0.000 0.425 674 L N 0.517 121.678 121.223 -0.104 0.000 2.083 674 L HA -0.150 4.190 4.340 0.000 0.000 0.209 674 L C 2.031 178.876 176.870 -0.040 0.000 1.083 674 L CA 1.458 56.214 54.840 -0.139 0.000 0.752 674 L CB -0.556 41.337 42.059 -0.276 0.000 0.899 674 L HN 0.247 nan 8.230 nan 0.000 0.433 675 I N -1.120 119.459 120.570 0.016 0.000 2.142 675 I HA -0.342 3.828 4.170 0.000 0.000 0.240 675 I C 2.647 178.918 176.117 0.256 0.000 1.078 675 I CA 1.144 62.527 61.300 0.139 0.000 1.343 675 I CB -0.270 37.843 38.000 0.188 0.000 1.046 675 I HN 0.239 nan 8.210 nan 0.000 0.405 676 R N 1.667 122.320 120.500 0.255 0.000 2.096 676 R HA -0.131 4.209 4.340 0.000 0.000 0.235 676 R C 2.125 178.483 176.300 0.097 0.000 1.127 676 R CA 1.878 58.044 56.100 0.111 0.000 0.968 676 R CB -0.806 29.417 30.300 -0.130 0.000 0.861 676 R HN 0.365 nan 8.270 nan 0.000 0.440 677 A N -0.180 122.675 122.820 0.058 0.000 1.851 677 A HA -0.125 4.195 4.320 0.000 0.000 0.216 677 A C 2.380 180.004 177.584 0.067 0.000 1.195 677 A CA 1.941 54.002 52.037 0.040 0.000 0.622 677 A CB -1.032 17.972 19.000 0.008 0.000 0.831 677 A HN 0.172 nan 8.150 nan 0.000 0.444 678 V N -1.413 118.532 119.914 0.052 0.000 2.324 678 V HA -0.317 3.803 4.120 0.000 0.000 0.250 678 V C 2.313 178.462 176.094 0.092 0.000 1.060 678 V CA 2.330 64.641 62.300 0.020 0.000 1.042 678 V CB -1.008 30.790 31.823 -0.042 0.000 0.650 678 V HN 0.680 nan 8.190 nan 0.000 0.450 679 Y N 1.283 121.628 120.300 0.074 0.000 2.070 679 Y HA -0.307 4.243 4.550 0.000 0.000 0.280 679 Y C 2.510 178.452 175.900 0.069 0.000 1.148 679 Y CA 2.298 60.473 58.100 0.124 0.000 1.125 679 Y CB -0.377 38.208 38.460 0.208 0.000 0.975 679 Y HN 0.299 nan 8.280 nan 0.000 0.492 680 D N -0.903 119.678 120.400 0.302 0.000 2.158 680 D HA -0.187 4.453 4.640 0.000 0.000 0.197 680 D C 2.110 178.446 176.300 0.060 0.000 0.995 680 D CA 1.995 56.096 54.000 0.168 0.000 0.846 680 D CB -0.489 40.370 40.800 0.100 0.000 0.941 680 D HN 0.407 nan 8.370 nan 0.000 0.456 681 T N 0.764 115.341 114.554 0.038 0.000 2.701 681 T HA -0.113 4.237 4.350 0.000 0.000 0.263 681 T C 1.905 176.581 174.700 -0.041 0.000 1.040 681 T CA 0.397 62.500 62.100 0.004 0.000 1.147 681 T CB -0.376 68.509 68.868 0.028 0.000 0.865 681 T HN 0.030 nan 8.240 nan 0.000 0.426 682 L N 2.086 123.268 121.223 -0.067 0.000 2.043 682 L HA -0.121 4.219 4.340 0.000 0.000 0.212 682 L C 2.548 179.346 176.870 -0.119 0.000 1.075 682 L CA 2.196 56.965 54.840 -0.117 0.000 0.752 682 L CB -0.875 41.077 42.059 -0.179 0.000 0.891 682 L HN 0.374 nan 8.230 nan 0.000 0.432 683 S N -1.957 113.666 115.700 -0.129 0.000 2.489 683 S HA -0.111 4.359 4.470 0.000 0.000 0.228 683 S C 1.887 176.480 174.600 -0.012 0.000 0.995 683 S CA 0.711 58.868 58.200 -0.071 0.000 0.934 683 S CB -0.685 62.494 63.200 -0.035 0.000 0.771 683 S HN 0.594 nan 8.310 nan 0.000 0.522 684 N N 1.691 120.383 118.700 -0.014 0.000 2.132 684 N HA 0.014 4.754 4.740 0.000 0.000 0.187 684 N C 1.330 176.834 175.510 -0.010 0.000 1.038 684 N CA 1.078 54.127 53.050 -0.001 0.000 0.846 684 N CB -0.178 38.309 38.487 -0.000 0.000 1.012 684 N HN 0.221 nan 8.380 nan 0.000 0.429 685 K N 0.764 121.133 120.400 -0.051 0.000 2.360 685 K HA -0.061 4.259 4.320 0.000 0.000 0.201 685 K C 1.493 178.093 176.600 0.000 0.000 1.046 685 K CA 0.361 56.608 56.287 -0.066 0.000 0.940 685 K CB -0.165 32.193 32.500 -0.237 0.000 0.748 685 K HN 0.134 nan 8.250 nan 0.000 0.465 686 L N -1.694 119.532 121.223 0.006 0.000 2.298 686 L HA 0.216 4.556 4.340 0.000 0.000 0.209 686 L C 1.363 178.260 176.870 0.045 0.000 1.084 686 L CA 1.807 56.673 54.840 0.043 0.000 0.816 686 L CB -0.004 42.088 42.059 0.055 0.000 0.967 686 L HN 0.381 nan 8.230 nan 0.000 0.460 687 G N -0.530 108.290 108.800 0.032 0.000 2.232 687 G HA2 -0.224 3.736 3.960 0.000 0.000 0.226 687 G HA3 -0.224 3.736 3.960 0.000 0.000 0.226 687 G C 0.510 175.426 174.900 0.027 0.000 0.996 687 G CA 0.229 45.347 45.100 0.030 0.000 0.626 687 G HN 0.488 nan 8.290 nan 0.000 0.509 688 R N -0.956 119.564 120.500 0.032 0.000 2.909 688 R HA 0.541 4.881 4.340 0.000 0.000 0.262 688 R C -0.948 175.385 176.300 0.055 0.000 1.095 688 R CA -0.998 55.123 56.100 0.036 0.000 0.965 688 R CB 0.047 30.358 30.300 0.018 0.000 1.300 688 R HN 0.057 nan 8.270 nan 0.000 0.442 689 N N 1.505 120.250 118.700 0.075 0.000 2.430 689 N HA 0.109 4.849 4.740 0.000 0.000 0.265 689 N C -1.886 173.692 175.510 0.114 0.000 1.100 689 N CA -1.585 51.542 53.050 0.128 0.000 0.961 689 N CB 1.186 39.782 38.487 0.181 0.000 1.075 689 N HN 0.263 nan 8.380 nan 0.000 0.478 690 P HA -0.196 nan 4.420 nan 0.000 0.218 690 P C 0.747 178.194 177.300 0.246 0.000 1.152 690 P CA 1.625 64.844 63.100 0.198 0.000 0.857 690 P CB 0.212 31.913 31.700 0.001 0.000 0.787 691 A N -0.784 122.150 122.820 0.191 0.000 2.067 691 A HA -0.201 4.119 4.320 0.000 0.000 0.219 691 A C 1.838 179.444 177.584 0.038 0.000 1.158 691 A CA 1.877 53.992 52.037 0.131 0.000 0.661 691 A CB -1.295 17.817 19.000 0.185 0.000 0.801 691 A HN 0.108 nan 8.150 nan 0.000 0.452 692 D N -0.442 119.974 120.400 0.026 0.000 2.218 692 D HA -0.056 4.584 4.640 0.000 0.000 0.204 692 D C 1.584 177.797 176.300 -0.145 0.000 0.976 692 D CA 1.113 55.089 54.000 -0.040 0.000 0.853 692 D CB -0.024 40.761 40.800 -0.025 0.000 0.939 692 D HN 0.577 nan 8.370 nan 0.000 0.481 693 I N -1.691 118.733 120.570 -0.243 0.000 3.718 693 I HA 0.083 4.253 4.170 0.000 0.000 0.297 693 I C -0.082 175.611 176.117 -0.707 0.000 1.220 693 I CA 0.114 61.073 61.300 -0.568 0.000 1.381 693 I CB 0.464 37.883 38.000 -0.967 0.000 1.238 693 I HN -0.209 nan 8.210 nan 0.000 0.448 694 F N -0.766 119.122 119.950 -0.104 0.000 2.618 694 F HA 0.456 4.983 4.527 0.000 0.000 0.332 694 F C 0.507 176.198 175.800 -0.182 0.000 1.061 694 F CA -1.160 56.764 58.000 -0.126 0.000 0.974 694 F CB 0.179 39.149 39.000 -0.051 0.000 1.310 694 F HN -0.163 nan 8.300 nan 0.000 0.491 695 H N 2.054 121.200 119.070 0.127 0.000 2.886 695 H HA 0.025 4.581 4.556 0.000 0.000 0.329 695 H C 1.075 176.341 175.328 -0.104 0.000 1.044 695 H CA 0.083 56.126 56.048 -0.007 0.000 1.456 695 H CB 1.219 30.966 29.762 -0.024 0.000 1.464 695 H HN 0.603 nan 8.280 nan 0.000 0.573 696 L N 4.023 125.173 121.223 -0.122 0.000 2.034 696 L HA -0.282 4.058 4.340 0.000 0.000 0.217 696 L C 1.933 178.445 176.870 -0.596 0.000 1.077 696 L CA 1.794 56.360 54.840 -0.457 0.000 0.769 696 L CB -0.336 41.338 42.059 -0.642 0.000 0.890 696 L HN 0.638 nan 8.230 nan 0.000 0.435 697 E N -0.634 119.348 120.200 -0.364 0.000 2.049 697 E HA -0.243 4.107 4.350 0.000 0.000 0.198 697 E C 2.143 178.663 176.600 -0.133 0.000 1.007 697 E CA 1.639 57.897 56.400 -0.236 0.000 0.809 697 E CB -0.291 29.330 29.700 -0.133 0.000 0.749 697 E HN 0.444 nan 8.360 nan 0.000 0.450 698 E N 0.169 120.322 120.200 -0.079 0.000 2.118 698 E HA -0.150 4.200 4.350 0.000 0.000 0.195 698 E C 2.217 178.750 176.600 -0.112 0.000 0.992 698 E CA 0.854 57.216 56.400 -0.064 0.000 0.804 698 E CB -0.233 29.461 29.700 -0.009 0.000 0.741 698 E HN 0.167 nan 8.360 nan 0.000 0.458 699 V N 0.758 120.588 119.914 -0.140 0.000 2.283 699 V HA -0.191 3.929 4.120 0.000 0.000 0.243 699 V C 2.211 178.319 176.094 0.023 0.000 1.039 699 V CA 1.459 63.685 62.300 -0.123 0.000 1.016 699 V CB -0.735 31.023 31.823 -0.110 0.000 0.650 699 V HN 0.207 nan 8.190 nan 0.000 0.449 700 F N 0.393 120.265 119.950 -0.130 0.000 2.087 700 F HA -0.314 4.213 4.527 0.000 0.000 0.299 700 F C 2.658 178.392 175.800 -0.109 0.000 1.100 700 F CA 1.901 59.812 58.000 -0.149 0.000 1.226 700 F CB -0.273 38.571 39.000 -0.260 0.000 0.983 700 F HN 0.090 nan 8.300 nan 0.000 0.479 701 K N 0.499 120.954 120.400 0.091 0.000 2.127 701 K HA -0.210 4.110 4.320 0.000 0.000 0.208 701 K C 1.771 178.370 176.600 -0.002 0.000 1.047 701 K CA 1.458 57.758 56.287 0.021 0.000 0.927 701 K CB -0.202 32.293 32.500 -0.007 0.000 0.716 701 K HN 0.100 nan 8.250 nan 0.000 0.450 702 V N 1.108 121.013 119.914 -0.016 0.000 2.323 702 V HA -0.217 3.903 4.120 0.000 0.000 0.244 702 V C 2.192 178.262 176.094 -0.039 0.000 1.041 702 V CA 1.532 63.806 62.300 -0.043 0.000 1.025 702 V CB -0.246 31.528 31.823 -0.082 0.000 0.656 702 V HN 0.300 nan 8.190 nan 0.000 0.451 703 I N -0.061 120.511 120.570 0.003 0.000 2.163 703 I HA -0.270 3.900 4.170 0.000 0.000 0.243 703 I C 2.569 178.665 176.117 -0.035 0.000 1.085 703 I CA 1.693 62.998 61.300 0.008 0.000 1.347 703 I CB -0.452 37.624 38.000 0.126 0.000 1.044 703 I HN 0.429 nan 8.210 nan 0.000 0.408 704 E N 0.811 120.996 120.200 -0.026 0.000 2.013 704 E HA -0.295 4.055 4.350 0.000 0.000 0.202 704 E C 2.056 178.625 176.600 -0.051 0.000 1.018 704 E CA 1.662 58.035 56.400 -0.045 0.000 0.834 704 E CB -0.369 29.311 29.700 -0.034 0.000 0.770 704 E HN 0.508 nan 8.360 nan 0.000 0.459 705 E N 0.524 120.699 120.200 -0.041 0.000 2.136 705 E HA -0.253 4.097 4.350 0.000 0.000 0.208 705 E C 2.195 178.754 176.600 -0.068 0.000 1.035 705 E CA 1.405 57.781 56.400 -0.040 0.000 0.838 705 E CB -0.248 29.434 29.700 -0.029 0.000 0.748 705 E HN 0.292 nan 8.360 nan 0.000 0.459 706 I N 0.190 120.687 120.570 -0.121 0.000 2.086 706 I HA -0.269 3.901 4.170 0.000 0.000 0.233 706 I C 2.462 178.451 176.117 -0.213 0.000 1.060 706 I CA 0.797 61.953 61.300 -0.240 0.000 1.326 706 I CB -0.560 37.201 38.000 -0.399 0.000 1.067 706 I HN 0.008 nan 8.210 nan 0.000 0.398 707 V N 1.627 121.431 119.914 -0.184 0.000 2.277 707 V HA -0.388 3.732 4.120 0.000 0.000 0.255 707 V C 2.715 178.746 176.094 -0.104 0.000 1.074 707 V CA 2.660 64.871 62.300 -0.149 0.000 1.058 707 V CB -0.999 30.751 31.823 -0.121 0.000 0.656 707 V HN 0.677 nan 8.190 nan 0.000 0.449 708 S N -0.691 114.964 115.700 -0.075 0.000 2.400 708 S HA -0.180 4.290 4.470 0.000 0.000 0.232 708 S C 1.823 176.412 174.600 -0.018 0.000 1.025 708 S CA 1.724 59.900 58.200 -0.040 0.000 0.993 708 S CB -0.639 62.545 63.200 -0.027 0.000 0.808 708 S HN 0.375 nan 8.310 nan 0.000 0.478 709 V N 1.771 121.672 119.914 -0.020 0.000 2.667 709 V HA 0.034 4.154 4.120 0.000 0.000 0.252 709 V C 2.298 178.423 176.094 0.051 0.000 1.065 709 V CA 1.220 63.534 62.300 0.023 0.000 1.083 709 V CB -0.745 31.105 31.823 0.046 0.000 0.692 709 V HN 0.495 nan 8.190 nan 0.000 0.468 710 L N 0.282 121.524 121.223 0.032 0.000 2.313 710 L HA -0.012 4.328 4.340 0.000 0.000 0.214 710 L C 1.721 178.680 176.870 0.149 0.000 1.119 710 L CA 1.017 55.924 54.840 0.111 0.000 0.809 710 L CB -0.188 41.901 42.059 0.050 0.000 0.933 710 L HN 0.469 nan 8.230 nan 0.000 0.449 711 V N -5.727 114.218 119.914 0.051 0.000 3.330 711 V HA 0.235 4.355 4.120 0.000 0.000 0.309 711 V C 0.332 176.448 176.094 0.037 0.000 1.481 711 V CA -0.539 61.793 62.300 0.053 0.000 1.068 711 V CB 0.315 32.126 31.823 -0.020 0.000 0.935 711 V HN 0.288 nan 8.190 nan 0.000 0.453 712 Q N 1.082 120.902 119.800 0.033 0.000 2.447 712 Q HA -0.238 4.102 4.340 0.000 0.000 0.348 712 Q C -0.212 175.798 176.000 0.017 0.000 1.421 712 Q CA 1.612 57.430 55.803 0.026 0.000 0.978 712 Q CB -1.414 27.341 28.738 0.029 0.000 1.191 712 Q HN 1.039 nan 8.270 nan 0.000 0.371 713 Q N -0.267 119.539 119.800 0.009 0.000 2.593 713 Q HA 0.158 4.498 4.340 0.000 0.000 0.242 713 Q C -1.242 174.759 176.000 0.001 0.000 0.944 713 Q CA -0.559 55.248 55.803 0.007 0.000 1.041 713 Q CB 1.146 29.890 28.738 0.010 0.000 1.588 713 Q HN 0.199 nan 8.270 nan 0.000 0.464 714 K N 2.648 123.049 120.400 0.003 0.000 2.402 714 K HA 0.077 4.397 4.320 0.000 0.000 0.279 714 K C -0.251 176.351 176.600 0.003 0.000 1.082 714 K CA 0.391 56.677 56.287 -0.001 0.000 1.080 714 K CB 0.123 32.623 32.500 -0.000 0.000 0.899 714 K HN 0.279 nan 8.250 nan 0.000 0.469 715 I N 2.320 122.888 120.570 -0.003 0.000 2.607 715 I HA 0.140 4.310 4.170 0.000 0.000 0.305 715 I C -0.759 175.363 176.117 0.008 0.000 0.995 715 I CA -0.783 60.525 61.300 0.013 0.000 1.148 715 I CB 1.815 39.807 38.000 -0.013 0.000 1.323 715 I HN 0.504 nan 8.210 nan 0.000 0.461 716 D N 4.733 125.160 120.400 0.045 0.000 2.389 716 D HA 0.278 4.918 4.640 0.000 0.000 0.256 716 D C 0.737 177.064 176.300 0.044 0.000 1.239 716 D CA -0.358 53.649 54.000 0.012 0.000 0.925 716 D CB 1.038 41.839 40.800 0.003 0.000 1.145 716 D HN 0.241 nan 8.370 nan 0.000 0.542 717 V N 3.697 123.563 119.914 -0.080 0.000 2.278 717 V HA -0.325 3.795 4.120 0.000 0.000 0.251 717 V C 2.473 178.574 176.094 0.012 0.000 1.062 717 V CA 1.723 63.944 62.300 -0.132 0.000 1.038 717 V CB -0.567 30.879 31.823 -0.629 0.000 0.646 717 V HN 0.507 nan 8.190 nan 0.000 0.447 718 R N 1.128 121.545 120.500 -0.138 0.000 2.179 718 R HA -0.271 4.069 4.340 0.000 0.000 0.238 718 R C 2.349 178.794 176.300 0.242 0.000 1.119 718 R CA 2.535 58.675 56.100 0.066 0.000 0.915 718 R CB -0.974 29.326 30.300 -0.001 0.000 0.870 718 R HN 0.775 nan 8.270 nan 0.000 0.432 719 K N -1.297 119.154 120.400 0.084 0.000 2.189 719 K HA -0.265 4.055 4.320 0.000 0.000 0.207 719 K C 1.999 178.496 176.600 -0.171 0.000 1.046 719 K CA 2.154 58.414 56.287 -0.045 0.000 0.928 719 K CB -0.673 31.730 32.500 -0.160 0.000 0.720 719 K HN 0.295 nan 8.250 nan 0.000 0.458 720 Y N 0.374 120.568 120.300 -0.176 0.000 2.352 720 Y HA -0.031 4.519 4.550 0.000 0.000 0.292 720 Y C 0.580 176.058 175.900 -0.703 0.000 1.136 720 Y CA 0.716 58.500 58.100 -0.526 0.000 1.227 720 Y CB 0.053 38.016 38.460 -0.829 0.000 0.991 720 Y HN -0.023 nan 8.280 nan 0.000 0.545 721 F N 0.212 120.226 119.950 0.106 0.000 2.434 721 F HA 0.292 4.819 4.527 0.000 0.000 0.316 721 F C 0.496 176.297 175.800 0.001 0.000 1.222 721 F CA -1.240 56.797 58.000 0.062 0.000 1.207 721 F CB -0.643 38.440 39.000 0.138 0.000 1.466 721 F HN -0.269 nan 8.300 nan 0.000 0.545 722 T N -3.627 110.964 114.554 0.061 0.000 2.824 722 T HA 0.206 4.556 4.350 0.000 0.000 0.277 722 T C 1.160 175.883 174.700 0.039 0.000 0.975 722 T CA -0.519 61.602 62.100 0.035 0.000 0.966 722 T CB 1.637 70.480 68.868 -0.042 0.000 1.054 722 T HN 0.294 nan 8.240 nan 0.000 0.533 723 E N 0.449 120.683 120.200 0.057 0.000 2.072 723 E HA 0.026 4.376 4.350 0.000 0.000 0.190 723 E C 1.050 177.763 176.600 0.188 0.000 0.982 723 E CA 1.115 57.581 56.400 0.111 0.000 0.803 723 E CB 0.105 29.864 29.700 0.098 0.000 0.755 723 E HN 0.799 nan 8.360 nan 0.000 0.453 724 S N -2.511 113.248 115.700 0.099 0.000 2.880 724 S HA 0.255 4.725 4.470 0.000 0.000 0.308 724 S C 0.676 175.164 174.600 -0.187 0.000 1.195 724 S CA -0.634 57.626 58.200 0.100 0.000 0.866 724 S CB 0.229 63.577 63.200 0.247 0.000 1.254 724 S HN 0.011 nan 8.310 nan 0.000 0.571 725 M N 0.447 119.896 119.600 -0.251 0.000 2.447 725 M HA 0.175 4.655 4.480 0.000 0.000 0.264 725 M C 1.961 178.202 176.300 -0.098 0.000 1.095 725 M CA 0.764 55.916 55.300 -0.246 0.000 1.125 725 M CB -0.717 31.744 32.600 -0.231 0.000 1.389 725 M HN 0.612 nan 8.290 nan 0.000 0.459 726 R N -0.299 120.189 120.500 -0.019 0.000 2.140 726 R HA 0.125 4.465 4.340 0.000 0.000 0.213 726 R C 0.895 177.199 176.300 0.007 0.000 1.059 726 R CA 0.283 56.387 56.100 0.006 0.000 1.000 726 R CB 0.235 30.562 30.300 0.045 0.000 0.910 726 R HN 0.076 nan 8.270 nan 0.000 0.455 727 S N -0.464 115.247 115.700 0.018 0.000 2.462 727 S HA 0.348 4.818 4.470 0.000 0.000 0.294 727 S C 0.682 175.291 174.600 0.014 0.000 1.144 727 S CA -0.682 57.534 58.200 0.027 0.000 1.088 727 S CB 1.708 64.939 63.200 0.052 0.000 1.009 727 S HN 0.342 nan 8.310 nan 0.000 0.484 728 G N 2.891 111.702 108.800 0.018 0.000 3.141 728 G HA2 0.141 4.101 3.960 0.000 0.000 0.218 728 G HA3 0.141 4.101 3.960 0.000 0.000 0.218 728 G C 0.206 175.148 174.900 0.069 0.000 1.170 728 G CA -0.282 44.831 45.100 0.022 0.000 0.769 728 G HN 0.649 nan 8.290 nan 0.000 0.546 729 S N 0.371 116.120 115.700 0.081 0.000 2.560 729 S HA 0.251 4.721 4.470 0.000 0.000 0.284 729 S C -0.268 174.436 174.600 0.174 0.000 1.327 729 S CA -0.566 57.708 58.200 0.124 0.000 1.055 729 S CB 0.869 64.129 63.200 0.101 0.000 0.868 729 S HN 0.266 nan 8.310 nan 0.000 0.506 730 F N 2.762 122.763 119.950 0.085 0.000 2.484 730 F HA 0.256 4.783 4.527 0.000 0.000 0.360 730 F C 0.768 176.652 175.800 0.140 0.000 1.101 730 F CA -0.226 57.848 58.000 0.123 0.000 1.251 730 F CB 0.615 39.685 39.000 0.117 0.000 1.132 730 F HN 0.425 nan 8.300 nan 0.000 0.570 731 S N 6.758 122.049 115.700 -0.681 0.000 2.457 731 S HA 0.155 4.625 4.470 0.000 0.000 0.216 731 S C 1.225 175.428 174.600 -0.662 0.000 1.392 731 S CA -0.739 57.200 58.200 -0.436 0.000 1.102 731 S CB -0.104 63.023 63.200 -0.122 0.000 1.114 731 S HN 0.858 nan 8.310 nan 0.000 0.484 732 K N 3.799 123.864 120.400 -0.559 0.000 2.107 732 K HA -0.134 4.186 4.320 0.000 0.000 0.211 732 K C -1.274 175.346 176.600 0.032 0.000 1.049 732 K CA 2.099 58.316 56.287 -0.117 0.000 0.927 732 K CB -1.127 31.483 32.500 0.184 0.000 0.714 732 K HN 0.454 nan 8.250 nan 0.000 0.452 733 P HA -0.121 nan 4.420 nan 0.000 0.215 733 P C 1.262 178.601 177.300 0.065 0.000 1.157 733 P CA 1.344 64.472 63.100 0.047 0.000 0.863 733 P CB -0.106 31.617 31.700 0.038 0.000 0.787 734 R N -1.105 119.435 120.500 0.067 0.000 2.105 734 R HA -0.166 4.174 4.340 0.000 0.000 0.239 734 R C 2.295 178.721 176.300 0.210 0.000 1.135 734 R CA 1.503 57.706 56.100 0.171 0.000 0.967 734 R CB -0.788 29.648 30.300 0.228 0.000 0.861 734 R HN 0.327 nan 8.270 nan 0.000 0.442 735 W N 1.711 122.936 121.300 -0.125 0.000 2.379 735 W HA -0.201 4.459 4.660 0.000 0.000 0.307 735 W C 0.779 177.277 176.519 -0.036 0.000 1.200 735 W CA 1.300 58.479 57.345 -0.277 0.000 1.297 735 W CB -0.308 29.065 29.460 -0.145 0.000 1.140 735 W HN 0.100 nan 8.180 nan 0.000 0.507 736 D N 0.519 120.885 120.400 -0.057 0.000 2.123 736 D HA -0.224 4.416 4.640 0.000 0.000 0.196 736 D C 1.734 177.924 176.300 -0.184 0.000 0.992 736 D CA 1.352 55.256 54.000 -0.161 0.000 0.833 736 D CB -0.740 40.067 40.800 0.012 0.000 0.954 736 D HN 0.238 nan 8.370 nan 0.000 0.455 737 N N 0.038 118.703 118.700 -0.059 0.000 2.309 737 N HA -0.127 4.613 4.740 0.000 0.000 0.182 737 N C 1.689 177.177 175.510 -0.038 0.000 1.018 737 N CA 0.210 53.245 53.050 -0.025 0.000 0.876 737 N CB -0.285 38.234 38.487 0.055 0.000 0.972 737 N HN 0.179 nan 8.380 nan 0.000 0.434 738 F N 1.694 121.523 119.950 -0.202 0.000 2.134 738 F HA -0.010 4.517 4.527 0.000 0.000 0.299 738 F C 2.033 177.605 175.800 -0.379 0.000 1.097 738 F CA 0.952 58.830 58.000 -0.204 0.000 1.264 738 F CB -0.316 38.595 39.000 -0.148 0.000 1.001 738 F HN -0.084 nan 8.300 nan 0.000 0.479 739 L N -0.452 120.343 121.223 -0.715 0.000 2.179 739 L HA -0.059 4.281 4.340 0.000 0.000 0.208 739 L C 2.596 179.194 176.870 -0.453 0.000 1.096 739 L CA 0.770 55.153 54.840 -0.762 0.000 0.779 739 L CB -0.476 41.086 42.059 -0.828 0.000 0.922 739 L HN -0.007 nan 8.230 nan 0.000 0.443 740 R N -0.045 120.263 120.500 -0.319 0.000 2.148 740 R HA -0.065 4.275 4.340 0.000 0.000 0.227 740 R C 1.094 177.289 176.300 -0.175 0.000 1.103 740 R CA 0.258 56.241 56.100 -0.194 0.000 0.983 740 R CB 0.082 30.306 30.300 -0.126 0.000 0.874 740 R HN 0.155 nan 8.270 nan 0.000 0.451 741 R N 1.776 122.148 120.500 -0.213 0.000 2.543 741 R HA 0.095 4.435 4.340 0.000 0.000 0.277 741 R C -2.173 174.014 176.300 -0.188 0.000 1.074 741 R CA -1.286 54.713 56.100 -0.169 0.000 1.076 741 R CB 0.557 30.763 30.300 -0.157 0.000 0.993 741 R HN -0.035 nan 8.270 nan 0.000 0.459 742 P HA 0.055 nan 4.420 nan 0.000 0.276 742 P C -0.951 176.282 177.300 -0.111 0.000 1.244 742 P CA -0.376 62.660 63.100 -0.108 0.000 0.801 742 P CB 0.982 32.641 31.700 -0.069 0.000 1.006 743 V N 1.337 121.192 119.914 -0.098 0.000 2.389 743 V HA 0.249 4.369 4.120 0.000 0.000 0.264 743 V C 1.593 177.656 176.094 -0.053 0.000 1.049 743 V CA 0.180 62.428 62.300 -0.087 0.000 0.932 743 V CB -0.270 31.507 31.823 -0.077 0.000 1.011 743 V HN 0.758 nan 8.190 nan 0.000 0.475 744 A N 4.462 127.256 122.820 -0.045 0.000 1.835 744 A HA 0.089 4.409 4.320 0.000 0.000 0.213 744 A C 1.136 178.711 177.584 -0.016 0.000 1.210 744 A CA 0.748 52.772 52.037 -0.023 0.000 0.605 744 A CB -0.077 18.917 19.000 -0.011 0.000 0.860 744 A HN 0.700 nan 8.150 nan 0.000 0.447 745 Q N 0.094 119.882 119.800 -0.020 0.000 2.226 745 Q HA 0.407 4.747 4.340 0.000 0.000 0.256 745 Q C -0.479 175.511 176.000 -0.016 0.000 0.962 745 Q CA -0.643 55.152 55.803 -0.013 0.000 0.887 745 Q CB 1.028 29.757 28.738 -0.015 0.000 1.282 745 Q HN 0.313 nan 8.270 nan 0.000 0.449 746 R N 0.811 121.309 120.500 -0.004 0.000 2.679 746 R HA 0.317 4.657 4.340 0.000 0.000 0.269 746 R C 0.394 176.697 176.300 0.005 0.000 1.076 746 R CA -0.236 55.865 56.100 0.001 0.000 1.160 746 R CB 0.340 30.644 30.300 0.008 0.000 1.054 746 R HN 0.529 nan 8.270 nan 0.000 0.507 747 L N 2.487 123.721 121.223 0.018 0.000 2.476 747 L HA 0.216 4.556 4.340 0.000 0.000 0.255 747 L C -1.717 175.191 176.870 0.064 0.000 1.218 747 L CA -1.698 53.169 54.840 0.044 0.000 0.819 747 L CB 0.127 42.233 42.059 0.078 0.000 1.119 747 L HN 0.282 nan 8.230 nan 0.000 0.485 748 P HA 0.054 nan 4.420 nan 0.000 0.269 748 P C -0.104 177.207 177.300 0.019 0.000 1.215 748 P CA -0.038 63.102 63.100 0.067 0.000 0.780 748 P CB 0.514 32.291 31.700 0.129 0.000 0.898 749 N N 1.283 119.958 118.700 -0.042 0.000 2.061 749 N HA -0.192 4.548 4.740 0.000 0.000 0.193 749 N C 1.485 176.923 175.510 -0.120 0.000 1.030 749 N CA 1.245 54.257 53.050 -0.063 0.000 0.856 749 N CB -0.844 37.603 38.487 -0.066 0.000 1.023 749 N HN 0.323 nan 8.380 nan 0.000 0.424 750 L N -0.084 120.998 121.223 -0.235 0.000 1.991 750 L HA -0.276 4.064 4.340 0.000 0.000 0.221 750 L C 1.688 178.351 176.870 -0.346 0.000 1.079 750 L CA 1.847 56.468 54.840 -0.365 0.000 0.778 750 L CB -1.087 40.603 42.059 -0.616 0.000 0.893 750 L HN 0.340 nan 8.230 nan 0.000 0.437 751 Y N -0.813 119.462 120.300 -0.041 0.000 2.207 751 Y HA -0.255 4.295 4.550 0.000 0.000 0.287 751 Y C 3.069 178.962 175.900 -0.011 0.000 1.156 751 Y CA 1.560 59.648 58.100 -0.021 0.000 1.182 751 Y CB -0.701 37.743 38.460 -0.026 0.000 0.979 751 Y HN 0.405 nan 8.280 nan 0.000 0.521 752 S N -0.340 115.408 115.700 0.079 0.000 2.368 752 S HA -0.155 4.315 4.470 0.000 0.000 0.225 752 S C 2.095 176.690 174.600 -0.007 0.000 1.030 752 S CA 1.337 59.560 58.200 0.039 0.000 0.999 752 S CB -0.650 62.559 63.200 0.016 0.000 0.844 752 S HN 0.203 nan 8.310 nan 0.000 0.459 753 V N 2.221 122.111 119.914 -0.041 0.000 2.270 753 V HA -0.140 3.980 4.120 0.000 0.000 0.245 753 V C 2.314 178.365 176.094 -0.071 0.000 1.043 753 V CA 1.967 64.225 62.300 -0.069 0.000 1.014 753 V CB -0.670 31.105 31.823 -0.081 0.000 0.645 753 V HN 0.509 nan 8.190 nan 0.000 0.447 754 I N -0.538 120.008 120.570 -0.041 0.000 2.118 754 I HA -0.361 3.809 4.170 0.000 0.000 0.241 754 I C 2.581 178.698 176.117 0.000 0.000 1.070 754 I CA 2.039 63.334 61.300 -0.010 0.000 1.327 754 I CB -0.376 37.659 38.000 0.060 0.000 1.034 754 I HN 0.290 nan 8.210 nan 0.000 0.405 755 M N -0.359 119.285 119.600 0.074 0.000 2.213 755 M HA -0.166 4.314 4.480 0.000 0.000 0.263 755 M C 2.272 178.539 176.300 -0.055 0.000 1.062 755 M CA 1.725 57.083 55.300 0.097 0.000 1.105 755 M CB -0.710 31.983 32.600 0.155 0.000 1.385 755 M HN 0.284 nan 8.290 nan 0.000 0.417 756 T N -0.464 114.024 114.554 -0.111 0.000 2.857 756 T HA -0.130 4.220 4.350 0.000 0.000 0.266 756 T C 1.754 176.206 174.700 -0.413 0.000 1.048 756 T CA 1.000 62.955 62.100 -0.241 0.000 1.139 756 T CB -0.125 68.603 68.868 -0.234 0.000 0.874 756 T HN 0.220 nan 8.240 nan 0.000 0.455 757 Q N 0.881 120.502 119.800 -0.298 0.000 2.226 757 Q HA 0.130 4.470 4.340 0.000 0.000 0.204 757 Q C 2.277 178.142 176.000 -0.225 0.000 0.975 757 Q CA 1.259 56.907 55.803 -0.258 0.000 0.866 757 Q CB -0.640 28.009 28.738 -0.149 0.000 0.915 757 Q HN 0.568 nan 8.270 nan 0.000 0.440 758 A N 0.101 122.758 122.820 -0.271 0.000 1.855 758 A HA -0.178 4.142 4.320 0.000 0.000 0.215 758 A C 1.821 179.288 177.584 -0.196 0.000 1.191 758 A CA 1.664 53.474 52.037 -0.378 0.000 0.613 758 A CB -0.742 17.801 19.000 -0.761 0.000 0.829 758 A HN 0.327 nan 8.150 nan 0.000 0.442 759 D N -0.965 119.352 120.400 -0.138 0.000 2.133 759 D HA -0.172 4.468 4.640 0.000 0.000 0.195 759 D C 1.698 178.083 176.300 0.141 0.000 0.997 759 D CA 1.669 55.672 54.000 0.005 0.000 0.840 759 D CB -0.367 40.426 40.800 -0.010 0.000 0.947 759 D HN 0.750 nan 8.370 nan 0.000 0.452 760 H N -0.992 118.071 119.070 -0.012 0.000 2.353 760 H HA -0.070 4.486 4.556 0.000 0.000 0.300 760 H C 2.178 177.497 175.328 -0.016 0.000 1.090 760 H CA 0.806 56.847 56.048 -0.011 0.000 1.327 760 H CB 0.144 29.877 29.762 -0.049 0.000 1.383 760 H HN 0.008 nan 8.280 nan 0.000 0.508 761 V N 0.653 120.603 119.914 0.059 0.000 2.287 761 V HA -0.316 3.804 4.120 0.000 0.000 0.248 761 V C 2.091 178.162 176.094 -0.038 0.000 1.053 761 V CA 1.959 64.236 62.300 -0.038 0.000 1.027 761 V CB -0.752 30.986 31.823 -0.142 0.000 0.646 761 V HN 0.422 nan 8.190 nan 0.000 0.447 762 Y N 1.666 121.893 120.300 -0.121 0.000 2.081 762 Y HA -0.274 4.276 4.550 0.000 0.000 0.280 762 Y C 2.607 178.476 175.900 -0.053 0.000 1.163 762 Y CA 2.159 60.196 58.100 -0.105 0.000 1.135 762 Y CB -0.444 38.013 38.460 -0.005 0.000 0.970 762 Y HN 0.263 nan 8.280 nan 0.000 0.498 763 N N -0.875 117.882 118.700 0.096 0.000 2.223 763 N HA -0.237 4.503 4.740 0.000 0.000 0.185 763 N C 1.770 177.263 175.510 -0.028 0.000 1.016 763 N CA 1.534 54.601 53.050 0.029 0.000 0.863 763 N CB -0.677 37.882 38.487 0.120 0.000 0.983 763 N HN 0.523 nan 8.380 nan 0.000 0.429 764 Y N 1.623 121.835 120.300 -0.147 0.000 2.145 764 Y HA -0.129 4.421 4.550 0.000 0.000 0.286 764 Y C 2.339 178.098 175.900 -0.234 0.000 1.145 764 Y CA 1.495 59.497 58.100 -0.162 0.000 1.148 764 Y CB -0.242 38.115 38.460 -0.171 0.000 0.981 764 Y HN -0.087 nan 8.280 nan 0.000 0.507 765 M N -0.512 118.802 119.600 -0.478 0.000 2.086 765 M HA -0.194 4.286 4.480 0.000 0.000 0.261 765 M C 2.221 178.273 176.300 -0.413 0.000 1.067 765 M CA 2.008 56.877 55.300 -0.717 0.000 1.116 765 M CB -1.745 29.972 32.600 -1.471 0.000 1.348 765 M HN 0.214 nan 8.290 nan 0.000 0.407 766 T N 0.475 114.810 114.554 -0.365 0.000 2.721 766 T HA -0.232 4.118 4.350 0.000 0.000 0.268 766 T C 1.888 176.449 174.700 -0.232 0.000 1.038 766 T CA 1.768 63.723 62.100 -0.242 0.000 1.145 766 T CB -0.125 68.565 68.868 -0.297 0.000 0.858 766 T HN 0.271 nan 8.240 nan 0.000 0.459 767 Q N 0.287 119.957 119.800 -0.217 0.000 2.123 767 Q HA 0.195 4.535 4.340 0.000 0.000 0.199 767 Q C 1.973 177.845 176.000 -0.214 0.000 0.966 767 Q CA 0.903 56.619 55.803 -0.145 0.000 0.845 767 Q CB -0.387 28.309 28.738 -0.071 0.000 0.907 767 Q HN 0.479 nan 8.270 nan 0.000 0.439 768 L N 0.352 121.385 121.223 -0.317 0.000 2.721 768 L HA -0.116 4.224 4.340 0.000 0.000 0.241 768 L C 1.462 178.187 176.870 -0.242 0.000 1.168 768 L CA 0.654 55.318 54.840 -0.293 0.000 0.866 768 L CB -0.421 41.437 42.059 -0.334 0.000 0.996 768 L HN 0.257 nan 8.230 nan 0.000 0.451 769 T N -2.102 112.279 114.554 -0.288 0.000 2.812 769 T HA -0.115 4.235 4.350 0.000 0.000 0.264 769 T C 1.608 176.122 174.700 -0.310 0.000 1.042 769 T CA 0.849 62.768 62.100 -0.303 0.000 1.140 769 T CB -0.179 68.448 68.868 -0.402 0.000 0.870 769 T HN 0.386 nan 8.240 nan 0.000 0.445 770 H N 1.140 120.148 119.070 -0.103 0.000 2.567 770 H HA 0.089 4.645 4.556 0.000 0.000 0.276 770 H C 1.896 177.122 175.328 -0.170 0.000 1.016 770 H CA 0.650 56.642 56.048 -0.094 0.000 1.186 770 H CB -0.404 29.323 29.762 -0.058 0.000 1.351 770 H HN 0.568 nan 8.280 nan 0.000 0.605 771 I N -1.796 118.634 120.570 -0.234 0.000 4.139 771 I HA 0.172 4.342 4.170 0.000 0.000 0.335 771 I C 0.978 176.844 176.117 -0.418 0.000 1.327 771 I CA -0.321 60.654 61.300 -0.542 0.000 1.112 771 I CB 0.284 37.652 38.000 -1.055 0.000 1.058 771 I HN -0.128 nan 8.210 nan 0.000 0.396 772 I N 0.195 120.615 120.570 -0.250 0.000 2.882 772 I HA 0.394 4.564 4.170 0.000 0.000 0.286 772 I C -2.221 173.787 176.117 -0.183 0.000 1.139 772 I CA -1.842 59.333 61.300 -0.209 0.000 1.379 772 I CB -0.547 37.358 38.000 -0.159 0.000 1.410 772 I HN -0.163 nan 8.210 nan 0.000 0.594 773 P HA 0.387 nan 4.420 nan 0.000 0.256 773 P C -0.859 176.256 177.300 -0.309 0.000 1.688 773 P CA 0.484 63.162 63.100 -0.704 0.000 1.162 773 P CB -0.182 30.788 31.700 -1.218 0.000 1.870 774 I N 1.641 122.297 120.570 0.143 0.000 2.586 774 I HA 0.218 4.388 4.170 0.000 0.000 0.288 774 I C -0.188 176.076 176.117 0.245 0.000 1.147 774 I CA -0.308 61.102 61.300 0.183 0.000 1.047 774 I CB 2.543 40.575 38.000 0.053 0.000 1.244 774 I HN 0.037 nan 8.210 nan 0.000 0.429 775 T N 2.253 116.948 114.554 0.234 0.000 2.945 775 T HA 0.229 4.579 4.350 0.000 0.000 0.286 775 T C 0.528 175.296 174.700 0.113 0.000 1.025 775 T CA -0.651 61.536 62.100 0.145 0.000 1.039 775 T CB 1.470 70.398 68.868 0.101 0.000 1.068 775 T HN 0.632 nan 8.240 nan 0.000 0.497 776 D N -0.783 119.664 120.400 0.077 0.000 2.340 776 D HA 0.094 4.734 4.640 0.000 0.000 0.220 776 D C 0.732 177.048 176.300 0.027 0.000 1.039 776 D CA -0.227 53.810 54.000 0.061 0.000 0.866 776 D CB -0.550 40.279 40.800 0.047 0.000 0.913 776 D HN 0.617 nan 8.370 nan 0.000 0.523 777 C N -0.674 118.633 119.300 0.011 0.000 3.302 777 C HA 0.784 5.244 4.460 0.000 0.000 0.347 777 C C -1.327 173.609 174.990 -0.091 0.000 1.218 777 C CA -1.559 57.392 59.018 -0.112 0.000 1.234 777 C CB 0.493 28.075 27.740 -0.264 0.000 1.551 777 C HN 0.200 nan 8.230 nan 0.000 0.501 778 F N -0.124 119.668 119.950 -0.263 0.000 2.603 778 F HA 0.906 5.433 4.527 0.000 0.000 0.317 778 F C -1.467 174.129 175.800 -0.340 0.000 1.066 778 F CA -1.281 56.590 58.000 -0.215 0.000 0.941 778 F CB 0.895 39.818 39.000 -0.129 0.000 1.291 778 F HN 0.689 nan 8.300 nan 0.000 0.472 779 Y N 2.067 122.394 120.300 0.045 0.000 2.420 779 Y HA 0.687 5.237 4.550 0.000 0.000 0.334 779 Y C -0.144 175.801 175.900 0.074 0.000 1.094 779 Y CA -1.182 56.898 58.100 -0.034 0.000 1.126 779 Y CB 1.713 40.169 38.460 -0.006 0.000 1.217 779 Y HN 0.509 nan 8.280 nan 0.000 0.462 780 I N 2.740 123.426 120.570 0.193 0.000 2.404 780 I HA 0.583 4.753 4.170 0.000 0.000 0.293 780 I C -1.034 175.223 176.117 0.233 0.000 0.992 780 I CA -0.896 60.536 61.300 0.221 0.000 1.149 780 I CB 1.732 39.858 38.000 0.210 0.000 1.315 780 I HN 0.340 nan 8.210 nan 0.000 0.446 781 V N 6.616 126.681 119.914 0.252 0.000 3.048 781 V HA 0.275 4.395 4.120 0.000 0.000 0.303 781 V C 0.575 176.788 176.094 0.199 0.000 1.214 781 V CA -0.618 61.789 62.300 0.179 0.000 0.984 781 V CB 2.338 34.236 31.823 0.124 0.000 1.054 781 V HN 0.678 nan 8.190 nan 0.000 0.430 782 K N 2.803 123.221 120.400 0.030 0.000 2.034 782 K HA -0.083 4.237 4.320 0.000 0.000 0.214 782 K C 0.700 177.368 176.600 0.113 0.000 1.051 782 K CA 2.035 58.309 56.287 -0.022 0.000 0.931 782 K CB -0.271 32.150 32.500 -0.133 0.000 0.715 782 K HN 0.787 nan 8.250 nan 0.000 0.446 783 N N -1.175 117.598 118.700 0.122 0.000 2.745 783 N HA 0.090 4.830 4.740 0.000 0.000 0.256 783 N C -1.759 173.772 175.510 0.036 0.000 1.268 783 N CA -0.057 53.053 53.050 0.100 0.000 0.887 783 N CB 1.513 40.102 38.487 0.170 0.000 1.575 783 N HN 0.115 nan 8.380 nan 0.000 0.496 784 S N 0.611 116.131 115.700 -0.301 0.000 2.615 784 S HA 0.906 5.376 4.470 0.000 0.000 0.268 784 S C -0.551 173.554 174.600 -0.825 0.000 1.146 784 S CA -0.230 57.573 58.200 -0.662 0.000 0.818 784 S CB 1.563 64.651 63.200 -0.187 0.000 1.111 784 S HN 1.024 nan 8.310 nan 0.000 0.465 785 G N -0.321 108.008 108.800 -0.785 0.000 2.313 785 G HA2 0.496 4.456 3.960 0.000 0.000 0.296 785 G HA3 0.496 4.456 3.960 0.000 0.000 0.296 785 G C -2.387 172.484 174.900 -0.049 0.000 1.356 785 G CA -0.488 44.401 45.100 -0.352 0.000 0.833 785 G HN 1.592 nan 8.290 nan 0.000 0.552 786 F N 0.663 120.541 119.950 -0.120 0.000 2.787 786 F HA 0.646 5.173 4.527 0.000 0.000 0.340 786 F C -1.167 174.555 175.800 -0.130 0.000 1.232 786 F CA -0.765 57.177 58.000 -0.096 0.000 1.051 786 F CB 1.910 40.830 39.000 -0.133 0.000 1.330 786 F HN 0.447 nan 8.300 nan 0.000 0.522 787 V N 4.865 124.322 119.914 -0.761 0.000 2.487 787 V HA 0.363 4.483 4.120 0.000 0.000 0.298 787 V C -1.150 174.335 176.094 -1.015 0.000 1.028 787 V CA -0.585 61.217 62.300 -0.830 0.000 0.860 787 V CB 1.911 33.441 31.823 -0.487 0.000 0.991 787 V HN 0.668 nan 8.190 nan 0.000 0.427 788 D N 3.136 122.957 120.400 -0.965 0.000 2.607 788 D HA 0.238 4.878 4.640 0.000 0.000 0.318 788 D C 0.301 176.338 176.300 -0.439 0.000 1.212 788 D CA -0.455 53.169 54.000 -0.628 0.000 0.861 788 D CB 0.430 40.954 40.800 -0.460 0.000 1.064 788 D HN 0.512 nan 8.370 nan 0.000 0.500 789 R N 0.573 120.800 120.500 -0.455 0.000 2.643 789 R HA 0.383 4.723 4.340 0.000 0.000 0.270 789 R C 1.192 177.396 176.300 -0.159 0.000 1.061 789 R CA 1.258 57.151 56.100 -0.345 0.000 1.107 789 R CB 0.392 30.517 30.300 -0.292 0.000 0.999 789 R HN 0.411 nan 8.270 nan 0.000 0.460 790 G N 1.571 110.325 108.800 -0.077 0.000 2.245 790 G HA2 -0.352 3.608 3.960 0.000 0.000 0.264 790 G HA3 -0.352 3.608 3.960 0.000 0.000 0.264 790 G C 0.192 175.075 174.900 -0.028 0.000 0.985 790 G CA 0.553 45.636 45.100 -0.029 0.000 0.625 790 G HN 0.793 nan 8.290 nan 0.000 0.536 791 S N 0.049 115.719 115.700 -0.052 0.000 2.589 791 S HA 0.483 4.953 4.470 0.000 0.000 0.265 791 S C 1.711 176.306 174.600 -0.007 0.000 1.342 791 S CA 1.302 59.485 58.200 -0.028 0.000 1.005 791 S CB 0.761 63.942 63.200 -0.031 0.000 0.909 791 S HN 1.036 nan 8.310 nan 0.000 0.555 792 T N 0.865 115.420 114.554 0.001 0.000 3.044 792 T HA 0.361 4.711 4.350 0.000 0.000 0.260 792 T C 0.997 175.702 174.700 0.007 0.000 1.019 792 T CA 0.040 62.144 62.100 0.006 0.000 0.921 792 T CB -0.165 68.708 68.868 0.008 0.000 1.053 792 T HN 0.684 nan 8.240 nan 0.000 0.533 793 G N 2.468 111.274 108.800 0.011 0.000 2.712 793 G HA2 0.382 4.342 3.960 0.000 0.000 0.258 793 G HA3 0.382 4.342 3.960 0.000 0.000 0.258 793 G C -1.693 173.216 174.900 0.015 0.000 1.241 793 G CA -1.030 44.081 45.100 0.017 0.000 0.923 793 G HN 0.113 nan 8.290 nan 0.000 0.548 794 P HA 0.111 nan 4.420 nan 0.000 0.234 794 P C 0.041 177.355 177.300 0.024 0.000 1.175 794 P CA 0.163 63.261 63.100 -0.002 0.000 0.801 794 P CB 0.387 32.072 31.700 -0.026 0.000 0.891 795 V N 2.235 122.191 119.914 0.070 0.000 2.370 795 V HA 0.259 4.379 4.120 0.000 0.000 0.279 795 V C 1.206 177.375 176.094 0.126 0.000 1.029 795 V CA -0.260 62.115 62.300 0.125 0.000 0.870 795 V CB 1.059 33.000 31.823 0.195 0.000 0.984 795 V HN 0.036 nan 8.190 nan 0.000 0.451 796 I N 1.138 121.741 120.570 0.055 0.000 4.338 796 I HA 0.869 5.039 4.170 0.000 0.000 0.329 796 I C 0.400 176.331 176.117 -0.309 0.000 1.378 796 I CA 0.016 61.253 61.300 -0.105 0.000 1.170 796 I CB 0.695 38.627 38.000 -0.113 0.000 1.206 796 I HN 0.569 nan 8.210 nan 0.000 0.432 797 A N 0.341 123.057 122.820 -0.173 0.000 2.608 797 A HA 0.817 5.137 4.320 0.000 0.000 0.292 797 A C -0.899 176.670 177.584 -0.025 0.000 1.066 797 A CA -0.057 51.737 52.037 -0.405 0.000 0.676 797 A CB 1.472 19.788 19.000 -1.140 0.000 1.277 797 A HN 0.218 nan 8.150 nan 0.000 0.413 798 S N -0.830 114.946 115.700 0.126 0.000 2.565 798 S HA 0.507 4.977 4.470 0.000 0.000 0.274 798 S C 0.811 175.585 174.600 0.290 0.000 1.144 798 S CA 0.587 58.960 58.200 0.289 0.000 0.849 798 S CB 1.205 64.485 63.200 0.134 0.000 1.103 798 S HN 2.217 nan 8.310 nan 0.000 0.455 799 S N 2.045 117.865 115.700 0.201 0.000 2.453 799 S HA 0.133 4.603 4.470 0.000 0.000 0.231 799 S C 0.992 175.588 174.600 -0.007 0.000 1.005 799 S CA 1.280 59.527 58.200 0.079 0.000 0.949 799 S CB -0.236 62.972 63.200 0.013 0.000 0.774 799 S HN 0.852 nan 8.310 nan 0.000 0.510 800 S N -0.370 115.307 115.700 -0.037 0.000 2.776 800 S HA 0.780 5.250 4.470 0.000 0.000 0.306 800 S C -0.164 174.333 174.600 -0.171 0.000 1.114 800 S CA -0.145 57.988 58.200 -0.111 0.000 0.973 800 S CB 1.212 64.327 63.200 -0.143 0.000 1.250 800 S HN 0.930 nan 8.310 nan 0.000 0.549 801 V N -1.055 118.712 119.914 -0.245 0.000 3.139 801 V HA 0.707 4.827 4.120 0.000 0.000 0.310 801 V C -1.624 174.183 176.094 -0.478 0.000 1.260 801 V CA -1.006 61.104 62.300 -0.317 0.000 1.064 801 V CB 0.611 32.354 31.823 -0.132 0.000 1.160 801 V HN 0.872 nan 8.190 nan 0.000 0.470 802 Y N -0.153 119.968 120.300 -0.298 0.000 2.387 802 Y HA 0.420 4.970 4.550 0.000 0.000 0.330 802 Y C 1.677 177.450 175.900 -0.211 0.000 1.133 802 Y CA 0.466 58.406 58.100 -0.267 0.000 1.152 802 Y CB 1.689 39.970 38.460 -0.300 0.000 1.215 802 Y HN 0.929 nan 8.280 nan 0.000 0.466 803 E N 1.939 122.129 120.200 -0.017 0.000 2.108 803 E HA -0.342 4.008 4.350 0.000 0.000 0.203 803 E C 1.457 178.005 176.600 -0.087 0.000 1.022 803 E CA 1.974 58.317 56.400 -0.096 0.000 0.823 803 E CB -0.071 29.606 29.700 -0.040 0.000 0.744 803 E HN 0.855 nan 8.360 nan 0.000 0.456 804 N N 0.167 118.844 118.700 -0.038 0.000 2.573 804 N HA -0.108 4.632 4.740 0.000 0.000 0.187 804 N C 1.389 176.884 175.510 -0.025 0.000 1.107 804 N CA 1.011 54.040 53.050 -0.035 0.000 0.918 804 N CB 0.153 38.619 38.487 -0.035 0.000 0.966 804 N HN 0.131 nan 8.380 nan 0.000 0.448 805 V N 0.440 120.337 119.914 -0.028 0.000 3.608 805 V HA 0.180 4.300 4.120 0.000 0.000 0.269 805 V C 1.110 177.196 176.094 -0.014 0.000 1.245 805 V CA 0.166 62.467 62.300 0.003 0.000 1.138 805 V CB -0.316 31.510 31.823 0.005 0.000 0.841 805 V HN 0.175 nan 8.190 nan 0.000 0.451 806 L N 1.256 122.426 121.223 -0.088 0.000 2.307 806 L HA 0.471 4.811 4.340 0.000 0.000 0.282 806 L C 0.093 176.925 176.870 -0.063 0.000 1.051 806 L CA -0.122 54.645 54.840 -0.121 0.000 0.804 806 L CB 1.291 43.147 42.059 -0.338 0.000 1.197 806 L HN 0.054 nan 8.230 nan 0.000 0.431 807 K N 2.934 123.317 120.400 -0.028 0.000 2.425 807 K HA 0.412 4.732 4.320 0.000 0.000 0.259 807 K C -1.213 175.388 176.600 0.002 0.000 0.978 807 K CA -0.596 55.684 56.287 -0.011 0.000 0.883 807 K CB 1.500 33.994 32.500 -0.011 0.000 1.110 807 K HN 0.372 nan 8.250 nan 0.000 0.436 808 V N 5.757 125.684 119.914 0.021 0.000 2.405 808 V HA 0.042 4.162 4.120 0.000 0.000 0.264 808 V C 1.064 177.147 176.094 -0.019 0.000 1.048 808 V CA -0.356 61.972 62.300 0.047 0.000 0.966 808 V CB 0.754 32.633 31.823 0.093 0.000 1.015 808 V HN 0.721 nan 8.190 nan 0.000 0.477 809 V N 0.964 120.836 119.914 -0.069 0.000 3.643 809 V HA 0.425 4.545 4.120 0.000 0.000 0.280 809 V C 0.457 176.276 176.094 -0.458 0.000 1.351 809 V CA 0.421 62.577 62.300 -0.241 0.000 1.073 809 V CB -0.491 31.151 31.823 -0.301 0.000 0.863 809 V HN 0.838 nan 8.190 nan 0.000 0.436 810 H N -0.041 119.044 119.070 0.026 0.000 2.974 810 H HA 0.655 5.211 4.556 0.000 0.000 0.366 810 H C -1.180 174.156 175.328 0.014 0.000 1.155 810 H CA -0.197 55.865 56.048 0.023 0.000 1.186 810 H CB 2.394 32.175 29.762 0.032 0.000 1.799 810 H HN 0.183 nan 8.280 nan 0.000 0.541 811 T N 3.788 118.423 114.554 0.135 0.000 2.890 811 T HA 0.403 4.753 4.350 0.000 0.000 0.295 811 T C 0.564 175.284 174.700 0.032 0.000 0.993 811 T CA -0.565 61.563 62.100 0.047 0.000 0.979 811 T CB 0.678 69.559 68.868 0.022 0.000 0.967 811 T HN 0.317 nan 8.240 nan 0.000 0.441 812 I N 3.180 123.748 120.570 -0.004 0.000 2.301 812 I HA 0.288 4.458 4.170 0.000 0.000 0.292 812 I C 1.614 177.725 176.117 -0.011 0.000 1.046 812 I CA -0.655 60.648 61.300 0.005 0.000 1.282 812 I CB 1.224 39.234 38.000 0.018 0.000 1.409 812 I HN 0.776 nan 8.210 nan 0.000 0.484 813 A N 5.761 128.588 122.820 0.013 0.000 1.873 813 A HA -0.181 4.139 4.320 0.000 0.000 0.218 813 A C 0.494 178.104 177.584 0.043 0.000 1.193 813 A CA 1.948 53.998 52.037 0.021 0.000 0.629 813 A CB -0.406 18.613 19.000 0.032 0.000 0.826 813 A HN 0.879 nan 8.150 nan 0.000 0.447 814 D N -6.096 114.345 120.400 0.068 0.000 2.643 814 D HA 0.336 4.976 4.640 0.000 0.000 0.283 814 D C 0.280 176.677 176.300 0.162 0.000 1.242 814 D CA -0.482 53.594 54.000 0.128 0.000 0.863 814 D CB -0.165 40.723 40.800 0.146 0.000 1.382 814 D HN -0.023 nan 8.370 nan 0.000 0.444 815 F N 0.996 121.002 119.950 0.093 0.000 2.087 815 F HA -0.241 4.286 4.527 0.000 0.000 0.299 815 F C 1.550 177.390 175.800 0.067 0.000 1.100 815 F CA 2.172 60.232 58.000 0.100 0.000 1.226 815 F CB -0.303 38.724 39.000 0.045 0.000 0.983 815 F HN 0.337 nan 8.300 nan 0.000 0.479 816 D N 0.488 120.889 120.400 0.001 0.000 2.137 816 D HA -0.253 4.387 4.640 0.000 0.000 0.189 816 D C 2.414 178.611 176.300 -0.171 0.000 0.998 816 D CA 2.022 55.956 54.000 -0.110 0.000 0.839 816 D CB -0.909 39.923 40.800 0.054 0.000 0.962 816 D HN 0.395 nan 8.370 nan 0.000 0.446 817 A N 0.736 123.518 122.820 -0.063 0.000 1.917 817 A HA -0.137 4.183 4.320 0.000 0.000 0.219 817 A C 2.309 179.855 177.584 -0.064 0.000 1.182 817 A CA 2.796 54.807 52.037 -0.043 0.000 0.633 817 A CB -0.822 18.180 19.000 0.003 0.000 0.819 817 A HN 0.286 nan 8.150 nan 0.000 0.448 818 A N 0.058 122.834 122.820 -0.073 0.000 1.902 818 A HA -0.210 4.110 4.320 0.000 0.000 0.217 818 A C 2.001 179.497 177.584 -0.146 0.000 1.181 818 A CA 2.094 54.119 52.037 -0.021 0.000 0.623 818 A CB -0.679 18.390 19.000 0.115 0.000 0.818 818 A HN 0.593 nan 8.150 nan 0.000 0.443 819 N N 0.321 118.802 118.700 -0.364 0.000 2.188 819 N HA -0.062 4.678 4.740 0.000 0.000 0.184 819 N C 1.722 177.105 175.510 -0.213 0.000 1.018 819 N CA 1.801 54.608 53.050 -0.406 0.000 0.858 819 N CB -0.399 37.662 38.487 -0.710 0.000 0.989 819 N HN 0.347 nan 8.380 nan 0.000 0.426 820 A N 0.679 123.403 122.820 -0.161 0.000 1.902 820 A HA -0.056 4.264 4.320 0.000 0.000 0.217 820 A C 2.349 179.899 177.584 -0.056 0.000 1.181 820 A CA 1.091 53.075 52.037 -0.088 0.000 0.623 820 A CB -0.792 18.172 19.000 -0.060 0.000 0.818 820 A HN 0.362 nan 8.150 nan 0.000 0.443 821 L N -1.119 120.079 121.223 -0.042 0.000 2.083 821 L HA -0.162 4.178 4.340 0.000 0.000 0.209 821 L C 2.695 179.563 176.870 -0.004 0.000 1.083 821 L CA 1.588 56.423 54.840 -0.008 0.000 0.752 821 L CB -0.495 41.575 42.059 0.018 0.000 0.899 821 L HN 0.382 nan 8.230 nan 0.000 0.433 822 R N 1.178 121.658 120.500 -0.034 0.000 2.159 822 R HA -0.125 4.215 4.340 0.000 0.000 0.237 822 R C 1.725 178.004 176.300 -0.035 0.000 1.131 822 R CA 1.537 57.611 56.100 -0.043 0.000 0.982 822 R CB -0.499 29.730 30.300 -0.119 0.000 0.868 822 R HN 0.374 nan 8.270 nan 0.000 0.453 823 L N 0.000 121.197 121.223 -0.045 0.000 2.607 823 L HA 0.226 4.566 4.340 0.000 0.000 0.228 823 L C 0.359 177.215 176.870 -0.024 0.000 1.123 823 L CA 0.017 54.833 54.840 -0.039 0.000 0.890 823 L CB 0.010 42.037 42.059 -0.054 0.000 1.103 823 L HN 0.111 nan 8.230 nan 0.000 0.468 824 Q N 1.761 121.556 119.800 -0.008 0.000 2.681 824 Q HA 0.224 4.564 4.340 0.000 0.000 0.222 824 Q C -0.345 175.667 176.000 0.019 0.000 1.258 824 Q CA -0.093 55.710 55.803 0.001 0.000 1.014 824 Q CB 0.452 29.193 28.738 0.006 0.000 1.384 824 Q HN 0.290 nan 8.270 nan 0.000 0.570 825 R N 1.972 122.476 120.500 0.007 0.000 2.441 825 R HA 0.435 4.775 4.340 0.000 0.000 0.284 825 R C -0.004 176.311 176.300 0.026 0.000 1.070 825 R CA -0.202 55.914 56.100 0.027 0.000 1.047 825 R CB 0.842 31.110 30.300 -0.052 0.000 1.016 825 R HN 0.481 nan 8.270 nan 0.000 0.477 826 R N 0.610 121.155 120.500 0.074 0.000 2.774 826 R HA 0.365 4.705 4.340 0.000 0.000 0.272 826 R C -1.029 175.332 176.300 0.102 0.000 1.000 826 R CA -1.088 55.049 56.100 0.062 0.000 0.906 826 R CB 1.446 31.777 30.300 0.052 0.000 1.227 826 R HN 0.468 nan 8.270 nan 0.000 0.468 827 R N 2.161 122.705 120.500 0.074 0.000 2.316 827 R HA 0.179 4.519 4.340 0.000 0.000 0.314 827 R C -0.216 176.130 176.300 0.078 0.000 1.069 827 R CA -0.285 55.869 56.100 0.090 0.000 0.959 827 R CB 1.058 31.393 30.300 0.057 0.000 0.987 827 R HN 0.647 nan 8.270 nan 0.000 0.446 828 V N 3.518 123.485 119.914 0.087 0.000 2.326 828 V HA -0.049 4.071 4.120 0.000 0.000 0.238 828 V C 0.630 176.751 176.094 0.045 0.000 1.038 828 V CA 1.655 63.990 62.300 0.059 0.000 1.032 828 V CB -0.370 31.484 31.823 0.052 0.000 0.675 828 V HN 0.957 nan 8.190 nan 0.000 0.467 829 D N -2.383 118.044 120.400 0.045 0.000 3.035 829 D HA 0.141 4.781 4.640 0.000 0.000 0.248 829 D C 0.784 177.107 176.300 0.038 0.000 1.260 829 D CA -0.348 53.673 54.000 0.035 0.000 1.058 829 D CB -0.251 40.565 40.800 0.026 0.000 1.262 829 D HN -0.075 nan 8.370 nan 0.000 0.633 830 N N -1.359 117.359 118.700 0.031 0.000 2.120 830 N HA -0.099 4.641 4.740 0.000 0.000 0.188 830 N C 0.642 176.176 175.510 0.039 0.000 1.024 830 N CA 1.862 54.930 53.050 0.030 0.000 0.852 830 N CB -0.050 38.451 38.487 0.023 0.000 1.003 830 N HN 0.642 nan 8.380 nan 0.000 0.424 831 T N -2.652 111.926 114.554 0.040 0.000 3.145 831 T HA 0.200 4.550 4.350 0.000 0.000 0.281 831 T C 0.083 174.820 174.700 0.062 0.000 1.003 831 T CA -0.666 61.464 62.100 0.050 0.000 0.901 831 T CB 0.256 69.144 68.868 0.034 0.000 1.112 831 T HN 0.069 nan 8.240 nan 0.000 0.535 832 S N 1.032 116.769 115.700 0.061 0.000 2.570 832 S HA 0.811 5.281 4.470 0.000 0.000 0.286 832 S C -1.029 173.638 174.600 0.111 0.000 1.099 832 S CA -1.003 57.217 58.200 0.034 0.000 0.913 832 S CB 1.696 64.877 63.200 -0.030 0.000 1.085 832 S HN 0.539 nan 8.310 nan 0.000 0.480 833 Y N -1.217 119.096 120.300 0.021 0.000 2.605 833 Y HA 0.909 5.459 4.550 0.000 0.000 0.343 833 Y C -0.101 175.817 175.900 0.030 0.000 1.036 833 Y CA -0.890 57.223 58.100 0.021 0.000 1.065 833 Y CB 1.370 39.838 38.460 0.014 0.000 1.288 833 Y HN 0.807 nan 8.280 nan 0.000 0.481 834 T N 0.405 115.100 114.554 0.235 0.000 2.696 834 T HA 0.450 4.800 4.350 0.000 0.000 0.291 834 T C -2.277 172.545 174.700 0.204 0.000 1.095 834 T CA -0.569 61.617 62.100 0.144 0.000 1.026 834 T CB 1.372 70.293 68.868 0.088 0.000 1.390 834 T HN 0.978 nan 8.240 nan 0.000 0.513 835 D N 0.275 120.766 120.400 0.151 0.000 2.964 835 D HA 0.310 4.950 4.640 0.000 0.000 0.234 835 D C 0.580 176.942 176.300 0.102 0.000 1.223 835 D CA -0.475 53.599 54.000 0.123 0.000 0.889 835 D CB 1.546 42.417 40.800 0.118 0.000 1.609 835 D HN 0.388 nan 8.370 nan 0.000 0.523 836 S N 0.963 116.705 115.700 0.070 0.000 2.441 836 S HA -0.264 4.206 4.470 0.000 0.000 0.249 836 S C 1.619 176.259 174.600 0.067 0.000 1.097 836 S CA 1.640 59.870 58.200 0.051 0.000 1.080 836 S CB -0.285 62.931 63.200 0.027 0.000 0.914 836 S HN 0.602 nan 8.310 nan 0.000 0.464 837 L N 1.020 122.307 121.223 0.107 0.000 2.023 837 L HA 0.057 4.397 4.340 0.000 0.000 0.205 837 L C 2.331 179.377 176.870 0.292 0.000 1.073 837 L CA 1.826 56.776 54.840 0.183 0.000 0.745 837 L CB -1.105 41.077 42.059 0.206 0.000 0.900 837 L HN 0.132 nan 8.230 nan 0.000 0.435 838 S N -0.310 115.585 115.700 0.325 0.000 2.359 838 S HA -0.258 4.212 4.470 0.000 0.000 0.223 838 S C 1.695 176.451 174.600 0.261 0.000 1.039 838 S CA 1.587 60.030 58.200 0.404 0.000 1.042 838 S CB -0.560 62.826 63.200 0.309 0.000 0.915 838 S HN 0.609 nan 8.310 nan 0.000 0.439 839 D N 0.754 121.252 120.400 0.163 0.000 2.172 839 D HA -0.164 4.476 4.640 0.000 0.000 0.196 839 D C 1.819 178.153 176.300 0.057 0.000 0.999 839 D CA 1.167 55.225 54.000 0.097 0.000 0.856 839 D CB -0.198 40.642 40.800 0.068 0.000 0.934 839 D HN 0.393 nan 8.370 nan 0.000 0.453 840 M N -1.330 118.290 119.600 0.033 0.000 2.288 840 M HA -0.063 4.417 4.480 0.000 0.000 0.266 840 M C 1.787 178.088 176.300 0.001 0.000 1.072 840 M CA 0.857 56.103 55.300 -0.089 0.000 1.132 840 M CB -0.107 32.364 32.600 -0.215 0.000 1.386 840 M HN 0.049 nan 8.290 nan 0.000 0.432 841 F N 1.388 121.260 119.950 -0.130 0.000 2.186 841 F HA -0.168 4.359 4.527 0.000 0.000 0.299 841 F C 1.746 177.446 175.800 -0.167 0.000 1.090 841 F CA 1.557 59.393 58.000 -0.273 0.000 1.307 841 F CB -0.448 38.101 39.000 -0.753 0.000 1.019 841 F HN 0.258 nan 8.300 nan 0.000 0.489 842 N N 0.694 119.333 118.700 -0.102 0.000 2.309 842 N HA -0.074 4.666 4.740 0.000 0.000 0.182 842 N C 2.059 177.482 175.510 -0.146 0.000 1.018 842 N CA 1.156 54.109 53.050 -0.161 0.000 0.876 842 N CB -1.091 37.394 38.487 -0.004 0.000 0.972 842 N HN 0.445 nan 8.380 nan 0.000 0.434 843 G N 0.732 109.494 108.800 -0.063 0.000 2.653 843 G HA2 -0.018 3.942 3.960 0.000 0.000 0.212 843 G HA3 -0.018 3.942 3.960 0.000 0.000 0.212 843 G C 0.521 175.399 174.900 -0.037 0.000 1.138 843 G CA 0.090 45.190 45.100 0.000 0.000 0.782 843 G HN 0.178 nan 8.290 nan 0.000 0.535 844 L N 0.128 121.266 121.223 -0.141 0.000 2.334 844 L HA 0.402 4.742 4.340 0.000 0.000 0.277 844 L C 0.804 177.582 176.870 -0.152 0.000 1.075 844 L CA -0.916 53.834 54.840 -0.151 0.000 0.804 844 L CB 1.306 43.223 42.059 -0.236 0.000 1.174 844 L HN -0.039 nan 8.230 nan 0.000 0.438 845 R N 1.188 121.634 120.500 -0.091 0.000 2.438 845 R HA 0.181 4.521 4.340 0.000 0.000 0.287 845 R C -0.330 175.936 176.300 -0.057 0.000 1.077 845 R CA -0.067 55.992 56.100 -0.068 0.000 1.034 845 R CB 1.183 31.456 30.300 -0.046 0.000 0.993 845 R HN 0.557 nan 8.270 nan 0.000 0.459 846 S N 4.248 119.920 115.700 -0.048 0.000 2.457 846 S HA 0.385 4.855 4.470 0.000 0.000 0.289 846 S C -0.153 174.467 174.600 0.032 0.000 1.163 846 S CA -0.678 57.518 58.200 -0.006 0.000 1.078 846 S CB 0.434 63.622 63.200 -0.019 0.000 0.987 846 S HN 0.435 nan 8.310 nan 0.000 0.482 847 I N 4.072 124.705 120.570 0.104 0.000 2.307 847 I HA 0.221 4.391 4.170 0.000 0.000 0.289 847 I C 0.672 176.890 176.117 0.168 0.000 1.021 847 I CA -0.499 60.848 61.300 0.078 0.000 1.224 847 I CB 1.540 39.554 38.000 0.024 0.000 1.376 847 I HN 0.569 nan 8.210 nan 0.000 0.470 848 S N 4.060 119.809 115.700 0.082 0.000 2.715 848 S HA -0.098 4.372 4.470 0.000 0.000 0.318 848 S C 1.506 176.243 174.600 0.229 0.000 1.242 848 S CA 0.206 58.474 58.200 0.114 0.000 1.044 848 S CB 0.517 63.745 63.200 0.046 0.000 0.760 848 S HN 0.728 nan 8.310 nan 0.000 0.501 849 S N 3.938 119.783 115.700 0.241 0.000 2.378 849 S HA -0.195 4.275 4.470 0.000 0.000 0.229 849 S C 2.268 177.043 174.600 0.293 0.000 1.052 849 S CA 1.918 60.292 58.200 0.290 0.000 1.084 849 S CB -0.887 62.409 63.200 0.160 0.000 0.950 849 S HN 0.964 nan 8.310 nan 0.000 0.440 850 S N 1.227 117.030 115.700 0.172 0.000 2.368 850 S HA -0.225 4.245 4.470 0.000 0.000 0.226 850 S C 1.781 176.454 174.600 0.122 0.000 1.044 850 S CA 1.585 59.861 58.200 0.127 0.000 1.062 850 S CB -0.593 62.650 63.200 0.070 0.000 0.931 850 S HN 0.423 nan 8.310 nan 0.000 0.440 851 E N 0.064 120.300 120.200 0.061 0.000 2.284 851 E HA -0.132 4.218 4.350 0.000 0.000 0.200 851 E C 1.580 178.189 176.600 0.016 0.000 1.008 851 E CA 0.924 57.293 56.400 -0.052 0.000 0.829 851 E CB -0.447 29.125 29.700 -0.212 0.000 0.744 851 E HN 0.738 nan 8.360 nan 0.000 0.491 852 F N -0.189 119.891 119.950 0.216 0.000 2.234 852 F HA -0.119 4.408 4.527 0.000 0.000 0.296 852 F C 2.213 178.090 175.800 0.128 0.000 1.089 852 F CA 0.886 59.044 58.000 0.263 0.000 1.343 852 F CB 0.063 39.162 39.000 0.164 0.000 1.040 852 F HN -0.080 nan 8.300 nan 0.000 0.498 853 V N -1.562 118.510 119.914 0.262 0.000 3.633 853 V HA 0.166 4.286 4.120 0.000 0.000 0.283 853 V C 0.961 177.104 176.094 0.081 0.000 1.305 853 V CA -0.330 62.052 62.300 0.137 0.000 1.153 853 V CB -1.216 30.701 31.823 0.158 0.000 0.950 853 V HN 0.120 nan 8.190 nan 0.000 0.432 854 R N 2.113 122.665 120.500 0.086 0.000 2.619 854 R HA 0.200 4.540 4.340 0.000 0.000 0.268 854 R C 0.091 176.401 176.300 0.017 0.000 0.990 854 R CA 1.201 57.324 56.100 0.039 0.000 1.092 854 R CB 0.291 30.601 30.300 0.016 0.000 0.935 854 R HN 0.814 nan 8.270 nan 0.000 0.415 855 S N 1.378 117.079 115.700 0.002 0.000 2.556 855 S HA 0.526 4.996 4.470 0.000 0.000 0.271 855 S C -1.182 173.412 174.600 -0.011 0.000 1.135 855 S CA -1.042 57.151 58.200 -0.012 0.000 0.858 855 S CB 2.226 65.416 63.200 -0.016 0.000 1.114 855 S HN 0.298 nan 8.310 nan 0.000 0.468 856 V N 2.919 122.824 119.914 -0.014 0.000 2.419 856 V HA 0.501 4.621 4.120 0.000 0.000 0.287 856 V C -0.391 175.696 176.094 -0.011 0.000 1.017 856 V CA -0.786 61.506 62.300 -0.012 0.000 0.844 856 V CB 0.671 32.486 31.823 -0.013 0.000 1.011 856 V HN 1.037 nan 8.190 nan 0.000 0.429 857 N N 4.042 122.737 118.700 -0.009 0.000 2.747 857 N HA -0.215 4.525 4.740 0.000 0.000 0.249 857 N C 1.160 176.666 175.510 -0.007 0.000 1.107 857 N CA 1.743 54.789 53.050 -0.006 0.000 0.707 857 N CB -1.079 37.405 38.487 -0.006 0.000 1.054 857 N HN 1.486 nan 8.380 nan 0.000 0.555 858 G N -1.724 107.070 108.800 -0.010 0.000 2.254 858 G HA2 -0.303 3.657 3.960 0.000 0.000 0.225 858 G HA3 -0.303 3.657 3.960 0.000 0.000 0.225 858 G C 0.033 174.919 174.900 -0.024 0.000 1.003 858 G CA 0.224 45.317 45.100 -0.011 0.000 0.622 858 G HN 0.343 nan 8.290 nan 0.000 0.507 859 R N 1.370 121.854 120.500 -0.026 0.000 2.312 859 R HA 0.640 4.980 4.340 0.000 0.000 0.311 859 R C 0.113 176.384 176.300 -0.049 0.000 1.004 859 R CA -0.225 55.852 56.100 -0.039 0.000 0.902 859 R CB 1.139 31.424 30.300 -0.025 0.000 1.073 859 R HN 0.226 nan 8.270 nan 0.000 0.457 860 S N 1.305 116.954 115.700 -0.085 0.000 2.564 860 S HA 0.306 4.776 4.470 0.000 0.000 0.278 860 S C -0.035 174.543 174.600 -0.036 0.000 1.333 860 S CA -0.402 57.744 58.200 -0.089 0.000 1.048 860 S CB 0.876 63.959 63.200 -0.194 0.000 0.900 860 S HN 0.259 nan 8.310 nan 0.000 0.505 861 V N 2.991 122.911 119.914 0.010 0.000 3.007 861 V HA 0.533 4.653 4.120 0.000 0.000 0.311 861 V C -1.305 174.879 176.094 0.149 0.000 1.120 861 V CA -0.754 61.579 62.300 0.056 0.000 0.980 861 V CB 2.021 33.856 31.823 0.021 0.000 1.033 861 V HN 0.797 nan 8.190 nan 0.000 0.429 862 F N 2.383 122.306 119.950 -0.045 0.000 2.564 862 F HA 0.370 4.897 4.527 0.000 0.000 0.368 862 F C 1.380 177.138 175.800 -0.069 0.000 1.127 862 F CA -0.414 57.547 58.000 -0.065 0.000 1.170 862 F CB 1.407 40.388 39.000 -0.032 0.000 1.397 862 F HN 0.655 nan 8.300 nan 0.000 0.493 863 T N -0.443 113.938 114.554 -0.289 0.000 2.867 863 T HA -0.021 4.329 4.350 0.000 0.000 0.268 863 T C 0.903 175.342 174.700 -0.436 0.000 1.057 863 T CA 0.523 62.458 62.100 -0.275 0.000 1.136 863 T CB -0.180 68.566 68.868 -0.204 0.000 0.874 863 T HN 0.260 nan 8.240 nan 0.000 0.466 864 E N 1.373 121.072 120.200 -0.836 0.000 2.442 864 E HA 0.330 4.680 4.350 0.000 0.000 0.260 864 E C 1.345 177.616 176.600 -0.548 0.000 1.148 864 E CA 0.392 56.324 56.400 -0.779 0.000 0.976 864 E CB 0.211 29.289 29.700 -1.037 0.000 0.967 864 E HN 0.386 nan 8.360 nan 0.000 0.454 865 G N 1.556 110.188 108.800 -0.280 0.000 2.937 865 G HA2 0.007 3.967 3.960 0.000 0.000 0.160 865 G HA3 0.007 3.967 3.960 0.000 0.000 0.160 865 G C 0.006 174.937 174.900 0.052 0.000 1.863 865 G CA 0.123 45.166 45.100 -0.096 0.000 0.941 865 G HN 0.329 nan 8.290 nan 0.000 0.419 866 R N -1.127 119.411 120.500 0.063 0.000 2.854 866 R HA 0.466 4.806 4.340 0.000 0.000 0.271 866 R C -0.697 175.664 176.300 0.101 0.000 0.996 866 R CA -0.774 55.397 56.100 0.119 0.000 0.961 866 R CB 2.051 32.387 30.300 0.059 0.000 1.182 866 R HN 0.307 nan 8.270 nan 0.000 0.479 867 I N 1.713 122.358 120.570 0.126 0.000 2.379 867 I HA 0.081 4.251 4.170 0.000 0.000 0.290 867 I C -0.290 175.857 176.117 0.052 0.000 1.063 867 I CA -0.363 61.008 61.300 0.118 0.000 1.351 867 I CB 0.525 38.632 38.000 0.177 0.000 1.410 867 I HN 0.298 nan 8.210 nan 0.000 0.505 868 D N 5.788 126.207 120.400 0.031 0.000 2.450 868 D HA 0.442 5.082 4.640 0.000 0.000 0.247 868 D C -0.068 176.244 176.300 0.021 0.000 1.162 868 D CA 0.680 54.682 54.000 0.004 0.000 0.879 868 D CB 0.965 41.751 40.800 -0.023 0.000 1.163 868 D HN 0.731 nan 8.370 nan 0.000 0.472 869 A N 2.633 125.476 122.820 0.038 0.000 2.594 869 A HA 0.656 4.976 4.320 0.000 0.000 0.291 869 A C -0.996 176.670 177.584 0.137 0.000 1.105 869 A CA -0.725 51.367 52.037 0.093 0.000 0.694 869 A CB 1.124 20.187 19.000 0.106 0.000 1.291 869 A HN 0.483 nan 8.150 nan 0.000 0.410 870 I N 1.202 121.873 120.570 0.168 0.000 2.336 870 I HA 0.333 4.503 4.170 0.000 0.000 0.292 870 I C 0.209 176.370 176.117 0.074 0.000 0.991 870 I CA -0.408 60.981 61.300 0.148 0.000 1.227 870 I CB 1.685 39.773 38.000 0.147 0.000 1.366 870 I HN 0.625 nan 8.210 nan 0.000 0.466 871 K N 6.252 126.654 120.400 0.003 0.000 2.253 871 K HA 0.468 4.788 4.320 0.000 0.000 0.277 871 K C -1.249 175.146 176.600 -0.342 0.000 1.053 871 K CA -0.440 55.696 56.287 -0.253 0.000 0.892 871 K CB 1.177 33.575 32.500 -0.170 0.000 1.102 871 K HN 0.393 nan 8.250 nan 0.000 0.469 872 V N 5.220 124.761 119.914 -0.622 0.000 2.328 872 V HA 0.125 4.245 4.120 0.000 0.000 0.278 872 V C -0.237 175.526 176.094 -0.552 0.000 1.021 872 V CA -0.975 60.949 62.300 -0.627 0.000 0.838 872 V CB 1.106 32.261 31.823 -1.113 0.000 0.999 872 V HN 0.721 nan 8.190 nan 0.000 0.447 873 N N 6.065 124.611 118.700 -0.257 0.000 3.178 873 N HA 0.300 5.040 4.740 0.000 0.000 0.300 873 N C -0.425 175.078 175.510 -0.012 0.000 1.242 873 N CA 0.255 53.224 53.050 -0.135 0.000 1.192 873 N CB 0.339 38.786 38.487 -0.066 0.000 1.463 873 N HN 0.597 nan 8.380 nan 0.000 0.539 874 M N -0.023 119.593 119.600 0.027 0.000 2.598 874 M HA 0.334 4.814 4.480 0.000 0.000 0.317 874 M C 0.462 176.885 176.300 0.204 0.000 1.179 874 M CA -0.809 54.612 55.300 0.202 0.000 0.936 874 M CB 2.806 35.659 32.600 0.422 0.000 1.713 874 M HN 0.070 nan 8.290 nan 0.000 0.460 875 R N 1.416 122.015 120.500 0.166 0.000 2.438 875 R HA 0.644 4.984 4.340 0.000 0.000 0.287 875 R C -1.416 174.957 176.300 0.122 0.000 1.077 875 R CA 0.147 56.321 56.100 0.124 0.000 1.034 875 R CB 0.673 31.024 30.300 0.085 0.000 0.993 875 R HN 0.805 nan 8.270 nan 0.000 0.459 876 A N 4.006 126.891 122.820 0.107 0.000 2.594 876 A HA 0.346 4.666 4.320 0.000 0.000 0.295 876 A C -1.556 176.063 177.584 0.058 0.000 1.071 876 A CA -0.882 51.185 52.037 0.049 0.000 0.685 876 A CB 1.562 20.588 19.000 0.044 0.000 1.285 876 A HN 0.733 nan 8.150 nan 0.000 0.405 877 K N 1.304 121.695 120.400 -0.016 0.000 2.159 877 K HA 0.673 4.993 4.320 0.000 0.000 0.266 877 K C -1.401 175.191 176.600 -0.013 0.000 0.975 877 K CA -0.489 55.768 56.287 -0.051 0.000 0.865 877 K CB 0.705 33.128 32.500 -0.129 0.000 1.087 877 K HN 0.746 nan 8.250 nan 0.000 0.446 878 F N 1.131 121.037 119.950 -0.072 0.000 2.426 878 F HA 0.357 4.884 4.527 0.000 0.000 0.348 878 F C -0.618 175.133 175.800 -0.082 0.000 1.124 878 F CA -1.274 56.678 58.000 -0.079 0.000 1.008 878 F CB 1.128 40.094 39.000 -0.056 0.000 1.139 878 F HN 0.437 nan 8.300 nan 0.000 0.452 879 D N 4.778 125.143 120.400 -0.059 0.000 2.393 879 D HA 0.236 4.876 4.640 0.000 0.000 0.232 879 D C -0.811 175.462 176.300 -0.045 0.000 1.192 879 D CA -0.141 53.791 54.000 -0.113 0.000 0.882 879 D CB 0.793 41.537 40.800 -0.092 0.000 1.038 879 D HN 0.689 nan 8.370 nan 0.000 0.499 880 L N 3.355 124.531 121.223 -0.079 0.000 2.371 880 L HA 0.391 4.731 4.340 0.000 0.000 0.272 880 L C -0.602 176.151 176.870 -0.194 0.000 1.124 880 L CA 0.356 55.138 54.840 -0.096 0.000 0.816 880 L CB 0.954 42.940 42.059 -0.121 0.000 1.129 880 L HN 0.439 nan 8.230 nan 0.000 0.448 881 Q N 3.782 123.437 119.800 -0.243 0.000 2.284 881 Q HA 0.383 4.723 4.340 0.000 0.000 0.269 881 Q C -1.773 174.124 176.000 -0.172 0.000 1.026 881 Q CA -0.485 55.209 55.803 -0.183 0.000 0.831 881 Q CB 2.039 30.736 28.738 -0.068 0.000 1.322 881 Q HN 0.594 nan 8.270 nan 0.000 0.419 882 F N 2.685 122.670 119.950 0.057 0.000 2.450 882 F HA 0.600 5.127 4.527 0.000 0.000 0.332 882 F C 0.214 176.057 175.800 0.070 0.000 1.093 882 F CA -0.800 57.242 58.000 0.070 0.000 1.003 882 F CB 1.407 40.443 39.000 0.060 0.000 1.151 882 F HN 0.280 nan 8.300 nan 0.000 0.474 883 I N 1.824 122.599 120.570 0.342 0.000 2.582 883 I HA 0.250 4.420 4.170 0.000 0.000 0.292 883 I C -0.769 175.474 176.117 0.210 0.000 1.066 883 I CA -0.741 60.697 61.300 0.231 0.000 1.053 883 I CB 2.621 40.754 38.000 0.221 0.000 1.241 883 I HN 0.517 nan 8.210 nan 0.000 0.421 884 T N 1.240 115.881 114.554 0.145 0.000 2.749 884 T HA 0.391 4.741 4.350 0.000 0.000 0.287 884 T C -0.273 174.504 174.700 0.129 0.000 0.970 884 T CA -0.849 61.313 62.100 0.104 0.000 0.980 884 T CB 1.430 70.326 68.868 0.046 0.000 0.924 884 T HN 0.292 nan 8.240 nan 0.000 0.456 885 E N 3.258 123.548 120.200 0.150 0.000 2.044 885 E HA 0.142 4.492 4.350 0.000 0.000 0.282 885 E C 0.792 177.425 176.600 0.055 0.000 1.031 885 E CA -0.409 56.093 56.400 0.169 0.000 0.824 885 E CB 1.069 30.944 29.700 0.291 0.000 1.076 885 E HN 0.655 nan 8.360 nan 0.000 0.395 886 E N 1.381 121.577 120.200 -0.008 0.000 2.106 886 E HA -0.085 4.265 4.350 0.000 0.000 0.192 886 E C 1.260 177.766 176.600 -0.158 0.000 0.984 886 E CA 1.038 57.395 56.400 -0.071 0.000 0.806 886 E CB 0.234 29.888 29.700 -0.077 0.000 0.750 886 E HN 0.802 nan 8.360 nan 0.000 0.458 887 G N 0.222 108.834 108.800 -0.312 0.000 2.284 887 G HA2 -0.169 3.791 3.960 0.000 0.000 0.201 887 G HA3 -0.169 3.791 3.960 0.000 0.000 0.201 887 G C 0.613 174.907 174.900 -1.010 0.000 0.998 887 G CA -0.125 44.631 45.100 -0.572 0.000 0.651 887 G HN 0.492 nan 8.290 nan 0.000 0.489 888 G N 0.327 108.735 108.800 -0.652 0.000 2.391 888 G HA2 0.499 4.459 3.960 0.000 0.000 0.305 888 G HA3 0.499 4.459 3.960 0.000 0.000 0.305 888 G C 0.071 174.596 174.900 -0.626 0.000 1.072 888 G CA -0.481 44.297 45.100 -0.536 0.000 1.016 888 G HN 0.367 nan 8.290 nan 0.000 0.418 889 Y N 2.680 122.746 120.300 -0.390 0.000 2.976 889 Y HA 0.071 4.621 4.550 0.000 0.000 0.389 889 Y C 2.037 177.764 175.900 -0.287 0.000 1.072 889 Y CA -0.208 57.477 58.100 -0.690 0.000 1.809 889 Y CB 0.034 38.046 38.460 -0.747 0.000 1.736 889 Y HN 0.653 nan 8.280 nan 0.000 0.471 890 S N -0.344 115.330 115.700 -0.044 0.000 2.324 890 S HA 0.051 4.521 4.470 0.000 0.000 0.210 890 S C 0.451 175.121 174.600 0.116 0.000 1.027 890 S CA 0.061 58.283 58.200 0.038 0.000 0.945 890 S CB -0.075 63.127 63.200 0.004 0.000 0.908 890 S HN 0.193 nan 8.310 nan 0.000 0.496 891 K N 3.343 123.818 120.400 0.125 0.000 2.264 891 K HA 0.536 4.856 4.320 0.000 0.000 0.277 891 K C -2.919 173.803 176.600 0.203 0.000 1.067 891 K CA -2.036 54.327 56.287 0.128 0.000 0.900 891 K CB 0.988 33.528 32.500 0.068 0.000 1.124 891 K HN 0.241 nan 8.250 nan 0.000 0.469 892 P HA 0.022 nan 4.420 nan 0.000 0.266 892 P C -2.298 174.937 177.300 -0.108 0.000 1.195 892 P CA -0.863 62.190 63.100 -0.078 0.000 0.768 892 P CB -0.016 31.607 31.700 -0.128 0.000 0.838 893 P HA 0.115 nan 4.420 nan 0.000 0.274 893 P C -0.733 176.452 177.300 -0.191 0.000 1.237 893 P CA -0.243 62.768 63.100 -0.148 0.000 0.793 893 P CB 0.594 32.196 31.700 -0.163 0.000 0.977 894 N N 1.186 119.803 118.700 -0.139 0.000 2.589 894 N HA 0.244 4.984 4.740 0.000 0.000 0.232 894 N C -0.983 174.430 175.510 -0.161 0.000 1.015 894 N CA -0.463 52.507 53.050 -0.133 0.000 0.931 894 N CB 0.013 38.452 38.487 -0.079 0.000 1.150 894 N HN 0.027 nan 8.380 nan 0.000 0.512 895 V N 3.587 123.366 119.914 -0.226 0.000 2.465 895 V HA 0.228 4.348 4.120 0.000 0.000 0.279 895 V C 0.582 176.590 176.094 -0.143 0.000 1.045 895 V CA -0.694 61.466 62.300 -0.234 0.000 0.938 895 V CB 1.061 32.657 31.823 -0.378 0.000 0.986 895 V HN 0.503 nan 8.190 nan 0.000 0.467 896 K N 4.769 125.105 120.400 -0.106 0.000 2.349 896 K HA 0.322 4.642 4.320 0.000 0.000 0.289 896 K C -0.357 176.203 176.600 -0.067 0.000 1.064 896 K CA -0.078 56.164 56.287 -0.075 0.000 0.947 896 K CB 0.528 32.991 32.500 -0.062 0.000 1.007 896 K HN 0.569 nan 8.250 nan 0.000 0.478 897 K N 2.758 123.124 120.400 -0.056 0.000 2.259 897 K HA 0.357 4.677 4.320 0.000 0.000 0.252 897 K C -1.075 175.508 176.600 -0.028 0.000 0.936 897 K CA -1.051 55.211 56.287 -0.042 0.000 0.810 897 K CB 1.513 33.990 32.500 -0.038 0.000 1.143 897 K HN 0.157 nan 8.250 nan 0.000 0.427 898 L N 4.106 125.315 121.223 -0.022 0.000 2.280 898 L HA 0.369 4.709 4.340 0.000 0.000 0.287 898 L C -0.894 175.989 176.870 0.023 0.000 1.023 898 L CA -0.344 54.485 54.840 -0.019 0.000 0.819 898 L CB 1.059 43.086 42.059 -0.054 0.000 1.212 898 L HN 0.584 nan 8.230 nan 0.000 0.420 899 M N 3.559 123.182 119.600 0.038 0.000 2.291 899 M HA 0.167 4.647 4.480 0.000 0.000 0.324 899 M C 0.961 177.333 176.300 0.120 0.000 1.148 899 M CA -0.363 54.990 55.300 0.088 0.000 1.104 899 M CB 0.405 33.051 32.600 0.076 0.000 1.483 899 M HN 0.620 nan 8.290 nan 0.000 0.467 900 F N 2.001 121.923 119.950 -0.046 0.000 2.161 900 F HA -0.258 4.269 4.527 0.000 0.000 0.300 900 F C 2.527 178.286 175.800 -0.068 0.000 1.089 900 F CA 2.254 60.164 58.000 -0.150 0.000 1.282 900 F CB -0.385 38.212 39.000 -0.673 0.000 1.010 900 F HN 0.731 nan 8.300 nan 0.000 0.485 901 S N -0.118 115.533 115.700 -0.081 0.000 2.374 901 S HA -0.255 4.215 4.470 0.000 0.000 0.227 901 S C 1.868 176.387 174.600 -0.135 0.000 1.037 901 S CA 1.729 59.838 58.200 -0.152 0.000 1.024 901 S CB -0.905 62.273 63.200 -0.035 0.000 0.861 901 S HN 0.499 nan 8.310 nan 0.000 0.456 902 D N 0.457 120.830 120.400 -0.045 0.000 2.144 902 D HA -0.046 4.594 4.640 0.000 0.000 0.199 902 D C 1.544 177.862 176.300 0.030 0.000 0.984 902 D CA 0.978 54.971 54.000 -0.012 0.000 0.834 902 D CB -0.499 40.301 40.800 -0.001 0.000 0.955 902 D HN 0.529 nan 8.370 nan 0.000 0.465 903 F N 1.540 121.397 119.950 -0.156 0.000 2.234 903 F HA -0.059 4.468 4.527 0.000 0.000 0.299 903 F C 2.042 177.801 175.800 -0.069 0.000 1.087 903 F CA 0.809 58.748 58.000 -0.102 0.000 1.340 903 F CB -0.309 38.645 39.000 -0.077 0.000 1.031 903 F HN -0.132 nan 8.300 nan 0.000 0.500 904 L N -1.033 119.961 121.223 -0.381 0.000 2.027 904 L HA -0.176 4.164 4.340 0.000 0.000 0.206 904 L C 2.713 179.434 176.870 -0.249 0.000 1.074 904 L CA 1.440 56.011 54.840 -0.450 0.000 0.745 904 L CB -1.245 40.535 42.059 -0.465 0.000 0.898 904 L HN 0.130 nan 8.230 nan 0.000 0.433 905 S N -0.324 115.287 115.700 -0.147 0.000 2.420 905 S HA -0.228 4.242 4.470 0.000 0.000 0.237 905 S C 1.868 176.454 174.600 -0.023 0.000 1.023 905 S CA 1.278 59.431 58.200 -0.077 0.000 0.991 905 S CB -0.303 62.873 63.200 -0.041 0.000 0.792 905 S HN 0.388 nan 8.310 nan 0.000 0.488 906 F N 1.902 121.758 119.950 -0.157 0.000 2.074 906 F HA 0.146 4.673 4.527 0.000 0.000 0.293 906 F C 1.785 177.550 175.800 -0.057 0.000 1.116 906 F CA 1.333 59.295 58.000 -0.064 0.000 1.212 906 F CB -0.637 38.357 39.000 -0.009 0.000 0.998 906 F HN 0.135 nan 8.300 nan 0.000 0.471 907 L N 0.172 121.286 121.223 -0.181 0.000 2.263 907 L HA -0.236 4.104 4.340 0.000 0.000 0.216 907 L C 1.614 178.356 176.870 -0.212 0.000 1.111 907 L CA 1.312 55.993 54.840 -0.264 0.000 0.773 907 L CB -0.731 41.082 42.059 -0.410 0.000 0.906 907 L HN 0.208 nan 8.230 nan 0.000 0.439 908 D N -1.285 118.992 120.400 -0.205 0.000 2.305 908 D HA -0.034 4.606 4.640 0.000 0.000 0.206 908 D C 2.106 178.282 176.300 -0.206 0.000 0.974 908 D CA 0.643 54.540 54.000 -0.172 0.000 0.871 908 D CB 0.376 41.093 40.800 -0.140 0.000 0.947 908 D HN 0.127 nan 8.370 nan 0.000 0.516 909 S N -0.458 115.054 115.700 -0.314 0.000 2.558 909 S HA -0.001 4.469 4.470 0.000 0.000 0.217 909 S C 0.992 175.186 174.600 -0.677 0.000 0.975 909 S CA 0.219 58.141 58.200 -0.464 0.000 0.912 909 S CB 0.200 63.074 63.200 -0.544 0.000 0.776 909 S HN 0.352 nan 8.310 nan 0.000 0.526 910 H N 0.527 119.450 119.070 -0.246 0.000 3.233 910 H HA 0.179 4.735 4.556 0.000 0.000 0.263 910 H C 1.531 176.832 175.328 -0.045 0.000 1.168 910 H CA 0.138 56.056 56.048 -0.217 0.000 1.159 910 H CB 0.242 29.754 29.762 -0.417 0.000 1.593 910 H HN 0.462 nan 8.280 nan 0.000 0.580 911 K N 0.559 120.965 120.400 0.010 0.000 2.163 911 K HA -0.149 4.171 4.320 0.000 0.000 0.210 911 K C 1.381 178.019 176.600 0.063 0.000 1.048 911 K CA 2.098 58.395 56.287 0.017 0.000 0.928 911 K CB -0.196 32.274 32.500 -0.051 0.000 0.716 911 K HN -0.110 nan 8.250 nan 0.000 0.459 912 S N 0.723 116.450 115.700 0.045 0.000 2.503 912 S HA 0.018 4.488 4.470 0.000 0.000 0.217 912 S C -0.404 174.249 174.600 0.088 0.000 0.999 912 S CA -0.179 58.058 58.200 0.062 0.000 0.914 912 S CB -0.088 63.135 63.200 0.037 0.000 0.782 912 S HN 0.330 nan 8.310 nan 0.000 0.520 913 D N 1.561 121.988 120.400 0.045 0.000 2.667 913 D HA -0.106 4.534 4.640 0.000 0.000 0.226 913 D C 0.528 176.822 176.300 -0.010 0.000 1.137 913 D CA 0.721 54.673 54.000 -0.080 0.000 0.855 913 D CB 0.177 40.841 40.800 -0.227 0.000 1.194 913 D HN 0.527 nan 8.370 nan 0.000 0.492 914 Y N -0.212 120.065 120.300 -0.038 0.000 2.524 914 Y HA 0.290 4.840 4.550 0.000 0.000 0.266 914 Y C 0.237 176.103 175.900 -0.057 0.000 1.180 914 Y CA -0.744 57.346 58.100 -0.016 0.000 1.244 914 Y CB -0.089 38.375 38.460 0.006 0.000 1.125 914 Y HN 0.282 nan 8.280 nan 0.000 0.524 915 R N -0.414 119.942 120.500 -0.241 0.000 2.560 915 R HA 0.365 4.705 4.340 0.000 0.000 0.267 915 R C -3.401 172.530 176.300 -0.616 0.000 1.150 915 R CA -1.834 54.032 56.100 -0.390 0.000 0.997 915 R CB 0.941 31.067 30.300 -0.288 0.000 1.250 915 R HN -0.140 nan 8.270 nan 0.000 0.433 916 P HA -0.032 nan 4.420 nan 0.000 0.261 916 P C -2.212 174.633 177.300 -0.758 0.000 1.158 916 P CA -0.218 62.319 63.100 -0.938 0.000 0.758 916 P CB 0.243 31.578 31.700 -0.609 0.000 0.763 917 P HA 0.315 nan 4.420 nan 0.000 0.280 917 P C -0.954 176.206 177.300 -0.233 0.000 1.272 917 P CA -0.702 62.019 63.100 -0.630 0.000 0.819 917 P CB 0.946 31.961 31.700 -1.141 0.000 1.122 918 L N 1.811 122.955 121.223 -0.132 0.000 2.272 918 L HA 0.384 4.724 4.340 0.000 0.000 0.289 918 L C -0.757 176.094 176.870 -0.032 0.000 1.032 918 L CA -0.867 53.940 54.840 -0.055 0.000 0.810 918 L CB 0.581 42.568 42.059 -0.120 0.000 1.205 918 L HN 0.168 nan 8.230 nan 0.000 0.422 919 L N 4.939 126.062 121.223 -0.168 0.000 2.265 919 L HA 0.470 4.810 4.340 0.000 0.000 0.288 919 L C -0.151 176.511 176.870 -0.346 0.000 1.058 919 L CA 0.415 54.945 54.840 -0.517 0.000 0.809 919 L CB 1.065 42.661 42.059 -0.772 0.000 1.179 919 L HN 0.722 nan 8.230 nan 0.000 0.429 920 T N 5.187 119.560 114.554 -0.302 0.000 2.747 920 T HA 0.377 4.727 4.350 0.000 0.000 0.301 920 T C -0.112 174.463 174.700 -0.209 0.000 0.952 920 T CA -0.325 61.655 62.100 -0.200 0.000 0.983 920 T CB 0.397 69.178 68.868 -0.146 0.000 0.930 920 T HN 0.348 nan 8.240 nan 0.000 0.494 921 V N 8.094 127.906 119.914 -0.170 0.000 2.383 921 V HA 0.344 4.464 4.120 0.000 0.000 0.275 921 V C -1.769 174.300 176.094 -0.043 0.000 1.036 921 V CA -2.008 60.207 62.300 -0.142 0.000 0.889 921 V CB 1.103 32.838 31.823 -0.147 0.000 0.985 921 V HN 0.674 nan 8.190 nan 0.000 0.459 922 P HA 0.476 nan 4.420 nan 0.000 0.281 922 P C -0.788 176.506 177.300 -0.010 0.000 1.249 922 P CA -0.372 62.710 63.100 -0.030 0.000 0.810 922 P CB 2.243 33.913 31.700 -0.051 0.000 1.008 923 I N 0.804 121.375 120.570 0.002 0.000 2.611 923 I HA 0.233 4.403 4.170 0.000 0.000 0.287 923 I C -1.318 174.790 176.117 -0.015 0.000 1.184 923 I CA -0.225 61.072 61.300 -0.005 0.000 1.054 923 I CB 1.814 39.815 38.000 0.001 0.000 1.257 923 I HN 0.169 nan 8.210 nan 0.000 0.435 924 T N 7.651 122.206 114.554 0.002 0.000 2.867 924 T HA 0.599 4.949 4.350 0.000 0.000 0.282 924 T C -0.259 174.521 174.700 0.134 0.000 1.000 924 T CA -0.476 61.645 62.100 0.037 0.000 1.042 924 T CB 1.623 70.499 68.868 0.012 0.000 0.973 924 T HN 0.280 nan 8.240 nan 0.000 0.465 925 I N 2.328 123.018 120.570 0.200 0.000 2.436 925 I HA 0.394 4.564 4.170 0.000 0.000 0.289 925 I C 0.732 177.101 176.117 0.420 0.000 1.010 925 I CA -0.600 60.889 61.300 0.315 0.000 1.098 925 I CB 1.507 39.748 38.000 0.401 0.000 1.266 925 I HN 0.784 nan 8.210 nan 0.000 0.434 926 G N 7.223 116.244 108.800 0.368 0.000 2.327 926 G HA2 0.543 4.503 3.960 0.000 0.000 0.302 926 G HA3 0.543 4.503 3.960 0.000 0.000 0.302 926 G C -0.384 174.633 174.900 0.195 0.000 1.113 926 G CA -0.412 44.885 45.100 0.328 0.000 0.921 926 G HN 0.481 nan 8.290 nan 0.000 0.425 927 L N 2.711 124.029 121.223 0.157 0.000 2.305 927 L HA 0.203 4.543 4.340 0.000 0.000 0.281 927 L C 0.532 177.433 176.870 0.053 0.000 1.085 927 L CA -1.043 53.823 54.840 0.042 0.000 0.813 927 L CB 1.204 43.213 42.059 -0.084 0.000 1.157 927 L HN 0.479 nan 8.230 nan 0.000 0.436 928 N N 3.055 121.773 118.700 0.030 0.000 2.416 928 N HA -0.079 4.661 4.740 0.000 0.000 0.271 928 N C -0.364 175.148 175.510 0.003 0.000 1.245 928 N CA 0.378 53.448 53.050 0.035 0.000 0.940 928 N CB 0.181 38.680 38.487 0.020 0.000 1.175 928 N HN 0.551 nan 8.380 nan 0.000 0.483 929 N N 4.353 123.061 118.700 0.014 0.000 2.553 929 N HA 0.155 4.895 4.740 0.000 0.000 0.298 929 N C -1.238 174.260 175.510 -0.020 0.000 1.596 929 N CA -0.386 52.653 53.050 -0.018 0.000 0.910 929 N CB 0.059 38.531 38.487 -0.024 0.000 1.336 929 N HN 0.375 nan 8.380 nan 0.000 0.497 930 L N 0.740 121.958 121.223 -0.008 0.000 2.312 930 L HA 0.507 4.847 4.340 0.000 0.000 0.287 930 L C 1.232 178.086 176.870 -0.026 0.000 1.091 930 L CA 0.135 54.964 54.840 -0.020 0.000 0.846 930 L CB 0.268 42.333 42.059 0.010 0.000 1.219 930 L HN 0.474 nan 8.230 nan 0.000 0.439 931 G N 2.105 110.881 108.800 -0.039 0.000 3.079 931 G HA2 -0.010 3.950 3.960 0.000 0.000 0.157 931 G HA3 -0.010 3.950 3.960 0.000 0.000 0.157 931 G C 0.754 175.626 174.900 -0.047 0.000 1.447 931 G CA -0.176 44.899 45.100 -0.042 0.000 0.753 931 G HN 0.486 nan 8.290 nan 0.000 0.989 932 E N 0.617 120.787 120.200 -0.050 0.000 2.481 932 E HA 0.073 4.423 4.350 0.000 0.000 0.195 932 E C -0.096 176.469 176.600 -0.058 0.000 1.047 932 E CA 0.509 56.878 56.400 -0.051 0.000 0.867 932 E CB 0.509 30.181 29.700 -0.048 0.000 0.858 932 E HN 0.154 nan 8.360 nan 0.000 0.513 933 T N 1.814 116.330 114.554 -0.063 0.000 2.809 933 T HA 0.296 4.646 4.350 0.000 0.000 0.296 933 T C -0.555 174.116 174.700 -0.047 0.000 1.015 933 T CA -0.582 61.475 62.100 -0.072 0.000 0.954 933 T CB 0.571 69.369 68.868 -0.117 0.000 0.950 933 T HN -0.082 nan 8.240 nan 0.000 0.450 934 N N 2.652 121.331 118.700 -0.036 0.000 2.599 934 N HA 0.406 5.146 4.740 0.000 0.000 0.283 934 N C -1.394 174.107 175.510 -0.014 0.000 1.160 934 N CA -0.311 52.726 53.050 -0.021 0.000 0.869 934 N CB 2.012 40.489 38.487 -0.018 0.000 1.448 934 N HN 0.759 nan 8.380 nan 0.000 0.535 935 S N 1.418 117.114 115.700 -0.008 0.000 2.578 935 S HA 0.341 4.811 4.470 0.000 0.000 0.272 935 S C -0.544 174.059 174.600 0.004 0.000 1.145 935 S CA -0.693 57.505 58.200 -0.003 0.000 0.835 935 S CB 1.804 65.000 63.200 -0.007 0.000 1.104 935 S HN 0.275 nan 8.310 nan 0.000 0.458 936 N N 0.360 119.064 118.700 0.006 0.000 2.187 936 N HA 0.233 4.973 4.740 0.000 0.000 0.212 936 N C -0.303 175.214 175.510 0.011 0.000 1.152 936 N CA 0.081 53.137 53.050 0.010 0.000 0.872 936 N CB 0.588 39.081 38.487 0.010 0.000 1.025 936 N HN 0.706 nan 8.380 nan 0.000 0.514 937 T N 1.341 115.900 114.554 0.008 0.000 2.870 937 T HA 0.241 4.591 4.350 0.000 0.000 0.300 937 T C 0.359 175.066 174.700 0.012 0.000 0.989 937 T CA -0.209 61.896 62.100 0.008 0.000 1.139 937 T CB 0.381 69.252 68.868 0.005 0.000 0.920 937 T HN 0.079 nan 8.240 nan 0.000 0.537 938 L N 5.879 127.110 121.223 0.012 0.000 2.485 938 L HA 0.244 4.584 4.340 0.000 0.000 0.279 938 L C 1.638 178.516 176.870 0.014 0.000 1.124 938 L CA 0.005 54.853 54.840 0.014 0.000 0.888 938 L CB 0.232 42.298 42.059 0.011 0.000 1.217 938 L HN 0.651 nan 8.230 nan 0.000 0.464 939 R N 3.386 123.898 120.500 0.019 0.000 2.121 939 R HA 0.283 4.623 4.340 0.000 0.000 0.206 939 R C 0.467 176.779 176.300 0.020 0.000 1.094 939 R CA 0.554 56.665 56.100 0.018 0.000 1.055 939 R CB 0.342 30.655 30.300 0.021 0.000 0.964 939 R HN 0.614 nan 8.270 nan 0.000 0.473 940 M N 0.098 119.713 119.600 0.025 0.000 2.744 940 M HA 0.478 4.958 4.480 0.000 0.000 0.283 940 M C -1.467 174.839 176.300 0.010 0.000 1.275 940 M CA -0.969 54.342 55.300 0.018 0.000 0.796 940 M CB 1.830 34.443 32.600 0.023 0.000 1.739 940 M HN -0.230 nan 8.290 nan 0.000 0.454 941 R N 0.449 120.951 120.500 0.003 0.000 2.410 941 R HA 0.373 4.713 4.340 0.000 0.000 0.288 941 R C 1.019 177.311 176.300 -0.014 0.000 1.051 941 R CA -0.131 55.968 56.100 -0.001 0.000 1.021 941 R CB 1.040 31.341 30.300 0.002 0.000 1.032 941 R HN 0.863 nan 8.270 nan 0.000 0.481 942 S N 1.845 117.537 115.700 -0.013 0.000 2.365 942 S HA -0.243 4.227 4.470 0.000 0.000 0.225 942 S C 1.259 175.845 174.600 -0.022 0.000 1.039 942 S CA 1.965 60.151 58.200 -0.023 0.000 1.033 942 S CB -0.064 63.129 63.200 -0.011 0.000 0.887 942 S HN 0.708 nan 8.310 nan 0.000 0.447 943 E N 1.178 121.374 120.200 -0.006 0.000 2.187 943 E HA -0.103 4.247 4.350 0.000 0.000 0.199 943 E C 2.227 178.831 176.600 0.007 0.000 1.004 943 E CA 1.304 57.707 56.400 0.006 0.000 0.813 943 E CB -0.536 29.170 29.700 0.010 0.000 0.736 943 E HN 0.639 nan 8.360 nan 0.000 0.468 944 A N 0.388 123.203 122.820 -0.009 0.000 1.930 944 A HA -0.116 4.204 4.320 0.000 0.000 0.217 944 A C 2.202 179.760 177.584 -0.043 0.000 1.175 944 A CA 1.000 53.032 52.037 -0.009 0.000 0.627 944 A CB -0.457 18.537 19.000 -0.010 0.000 0.815 944 A HN 0.188 nan 8.150 nan 0.000 0.443 945 I N -0.082 120.408 120.570 -0.133 0.000 2.179 945 I HA -0.238 3.932 4.170 0.000 0.000 0.242 945 I C 1.925 178.031 176.117 -0.017 0.000 1.088 945 I CA 1.521 62.641 61.300 -0.301 0.000 1.357 945 I CB -0.513 37.242 38.000 -0.408 0.000 1.051 945 I HN 0.250 nan 8.210 nan 0.000 0.409 946 D N 0.681 121.118 120.400 0.061 0.000 2.104 946 D HA -0.240 4.400 4.640 0.000 0.000 0.194 946 D C 2.009 178.410 176.300 0.168 0.000 0.994 946 D CA 1.254 55.348 54.000 0.157 0.000 0.830 946 D CB -0.359 40.495 40.800 0.090 0.000 0.959 946 D HN 0.352 nan 8.370 nan 0.000 0.452 947 E N -0.702 119.561 120.200 0.105 0.000 2.130 947 E HA -0.243 4.107 4.350 0.000 0.000 0.196 947 E C 2.009 178.678 176.600 0.116 0.000 0.998 947 E CA 0.770 57.229 56.400 0.098 0.000 0.806 947 E CB -0.118 29.624 29.700 0.070 0.000 0.738 947 E HN 0.358 nan 8.360 nan 0.000 0.459 948 Y N 0.200 120.472 120.300 -0.046 0.000 2.049 948 Y HA -0.266 4.284 4.550 0.000 0.000 0.277 948 Y C 1.833 177.704 175.900 -0.047 0.000 1.143 948 Y CA 2.150 60.185 58.100 -0.108 0.000 1.115 948 Y CB -0.798 37.490 38.460 -0.286 0.000 0.975 948 Y HN 0.017 nan 8.280 nan 0.000 0.487 949 F N 0.789 120.855 119.950 0.194 0.000 2.346 949 F HA -0.254 4.273 4.527 0.000 0.000 0.301 949 F C 2.725 178.591 175.800 0.110 0.000 1.070 949 F CA 1.257 59.325 58.000 0.114 0.000 1.407 949 F CB -0.571 38.465 39.000 0.061 0.000 1.072 949 F HN 0.263 nan 8.300 nan 0.000 0.543 950 S N -1.228 114.603 115.700 0.218 0.000 2.469 950 S HA -0.186 4.284 4.470 0.000 0.000 0.238 950 S C 1.965 176.630 174.600 0.108 0.000 0.998 950 S CA 1.262 59.558 58.200 0.160 0.000 0.957 950 S CB -0.688 62.581 63.200 0.114 0.000 0.764 950 S HN 0.277 nan 8.310 nan 0.000 0.514 951 S N 0.767 116.494 115.700 0.045 0.000 2.440 951 S HA -0.054 4.416 4.470 0.000 0.000 0.238 951 S C 1.121 175.670 174.600 -0.086 0.000 1.010 951 S CA 1.243 59.397 58.200 -0.078 0.000 0.972 951 S CB -0.530 62.519 63.200 -0.252 0.000 0.774 951 S HN 0.744 nan 8.310 nan 0.000 0.501 952 Y N 1.135 121.417 120.300 -0.030 0.000 2.475 952 Y HA 0.149 4.699 4.550 0.000 0.000 0.289 952 Y C 1.275 177.138 175.900 -0.061 0.000 1.121 952 Y CA -0.252 57.838 58.100 -0.017 0.000 1.257 952 Y CB -0.368 38.117 38.460 0.041 0.000 1.026 952 Y HN 0.164 nan 8.280 nan 0.000 0.555 953 V N -1.982 117.970 119.914 0.063 0.000 2.863 953 V HA 0.829 4.949 4.120 0.000 0.000 0.307 953 V C 0.906 176.956 176.094 -0.073 0.000 1.061 953 V CA 0.208 62.454 62.300 -0.090 0.000 1.024 953 V CB 1.109 32.844 31.823 -0.145 0.000 1.049 953 V HN 0.362 nan 8.190 nan 0.000 0.471 954 G N 1.656 110.387 108.800 -0.114 0.000 2.901 954 G HA2 0.116 4.076 3.960 0.000 0.000 0.194 954 G HA3 0.116 4.076 3.960 0.000 0.000 0.194 954 G C 0.607 175.495 174.900 -0.020 0.000 1.020 954 G CA 0.098 45.174 45.100 -0.040 0.000 0.787 954 G HN 1.958 nan 8.290 nan 0.000 0.477 955 A N 0.335 123.128 122.820 -0.045 0.000 2.565 955 A HA 0.515 4.835 4.320 0.000 0.000 0.237 955 A C 0.999 178.603 177.584 0.035 0.000 1.053 955 A CA 1.700 53.730 52.037 -0.011 0.000 0.755 955 A CB 0.374 19.354 19.000 -0.033 0.000 0.980 955 A HN 0.511 nan 8.150 nan 0.000 0.506 956 Q N 0.547 120.400 119.800 0.087 0.000 2.353 956 Q HA 0.294 4.634 4.340 0.000 0.000 0.240 956 Q C -0.800 175.307 176.000 0.178 0.000 0.868 956 Q CA 0.251 56.157 55.803 0.170 0.000 0.944 956 Q CB 0.463 29.347 28.738 0.243 0.000 1.104 956 Q HN 0.740 nan 8.270 nan 0.000 0.531 957 I N 1.497 122.135 120.570 0.114 0.000 2.436 957 I HA 0.314 4.484 4.170 0.000 0.000 0.289 957 I C -1.126 175.030 176.117 0.066 0.000 1.010 957 I CA -0.834 60.525 61.300 0.098 0.000 1.098 957 I CB 1.662 39.648 38.000 -0.022 0.000 1.266 957 I HN 0.002 nan 8.210 nan 0.000 0.434 958 L N 6.485 127.790 121.223 0.137 0.000 2.630 958 L HA 0.969 5.309 4.340 0.000 0.000 0.258 958 L C -1.152 175.817 176.870 0.166 0.000 1.072 958 L CA -1.117 53.779 54.840 0.094 0.000 0.885 958 L CB 1.549 43.634 42.059 0.043 0.000 1.502 958 L HN 0.244 nan 8.230 nan 0.000 0.406 959 V N -3.254 116.703 119.914 0.071 0.000 2.709 959 V HA 0.815 4.935 4.120 0.000 0.000 0.308 959 V C -2.727 173.332 176.094 -0.059 0.000 1.062 959 V CA -2.043 60.291 62.300 0.056 0.000 0.901 959 V CB 1.319 33.112 31.823 -0.051 0.000 1.003 959 V HN 0.778 nan 8.190 nan 0.000 0.425 960 P HA 0.286 nan 4.420 nan 0.000 0.268 960 P C 1.012 178.172 177.300 -0.233 0.000 1.208 960 P CA 0.078 63.086 63.100 -0.154 0.000 0.777 960 P CB 0.586 32.235 31.700 -0.085 0.000 0.875 961 I N 0.986 121.348 120.570 -0.345 0.000 2.614 961 I HA -0.238 3.932 4.170 0.000 0.000 0.258 961 I C 1.218 177.222 176.117 -0.187 0.000 1.189 961 I CA 1.220 62.293 61.300 -0.378 0.000 1.462 961 I CB -0.720 36.792 38.000 -0.813 0.000 1.092 961 I HN 0.364 nan 8.210 nan 0.000 0.442 962 N N 0.743 119.388 118.700 -0.092 0.000 2.289 962 N HA -0.133 4.607 4.740 0.000 0.000 0.184 962 N C 1.765 177.234 175.510 -0.067 0.000 1.016 962 N CA 0.884 53.929 53.050 -0.008 0.000 0.872 962 N CB -0.562 37.937 38.487 0.020 0.000 0.973 962 N HN 0.138 nan 8.380 nan 0.000 0.433 963 V N 0.497 120.306 119.914 -0.175 0.000 2.392 963 V HA -0.109 4.011 4.120 0.000 0.000 0.249 963 V C 0.832 176.775 176.094 -0.252 0.000 1.059 963 V CA 0.863 62.985 62.300 -0.296 0.000 1.051 963 V CB -0.551 30.884 31.823 -0.647 0.000 0.658 963 V HN 0.116 nan 8.190 nan 0.000 0.455 964 V N 2.031 121.822 119.914 -0.205 0.000 2.446 964 V HA 0.125 4.245 4.120 0.000 0.000 0.276 964 V C -0.046 176.105 176.094 0.094 0.000 1.030 964 V CA -0.117 62.186 62.300 0.005 0.000 1.033 964 V CB 0.602 32.437 31.823 0.020 0.000 0.993 964 V HN 0.373 nan 8.190 nan 0.000 0.477 965 D N 4.593 125.106 120.400 0.189 0.000 2.396 965 D HA 0.446 5.086 4.640 0.000 0.000 0.225 965 D C 0.148 176.520 176.300 0.121 0.000 1.121 965 D CA -0.085 54.024 54.000 0.181 0.000 0.853 965 D CB 1.128 42.109 40.800 0.303 0.000 1.043 965 D HN 0.748 nan 8.370 nan 0.000 0.500 966 T N 1.114 115.704 114.554 0.059 0.000 2.916 966 T HA 0.665 5.015 4.350 0.000 0.000 0.292 966 T C -0.093 174.557 174.700 -0.084 0.000 1.055 966 T CA -1.178 60.925 62.100 0.005 0.000 1.009 966 T CB 1.723 70.642 68.868 0.084 0.000 1.118 966 T HN 0.171 nan 8.240 nan 0.000 0.497 967 R N 0.863 121.267 120.500 -0.160 0.000 2.437 967 R HA 0.677 5.017 4.340 0.000 0.000 0.310 967 R C -1.353 174.739 176.300 -0.346 0.000 0.955 967 R CA -0.840 55.064 56.100 -0.327 0.000 0.851 967 R CB 2.010 32.039 30.300 -0.453 0.000 1.161 967 R HN 0.578 nan 8.270 nan 0.000 0.446 968 V N 5.073 124.729 119.914 -0.430 0.000 2.376 968 V HA 0.428 4.548 4.120 0.000 0.000 0.287 968 V C -1.445 174.421 176.094 -0.380 0.000 1.015 968 V CA -0.667 61.461 62.300 -0.286 0.000 0.834 968 V CB 0.821 32.563 31.823 -0.135 0.000 1.001 968 V HN 0.623 nan 8.190 nan 0.000 0.428 969 Y N 3.883 124.213 120.300 0.051 0.000 2.342 969 Y HA 0.477 5.027 4.550 0.000 0.000 0.334 969 Y C 1.496 177.509 175.900 0.189 0.000 1.067 969 Y CA 0.229 58.373 58.100 0.074 0.000 1.128 969 Y CB 2.362 40.829 38.460 0.012 0.000 1.200 969 Y HN 0.693 nan 8.280 nan 0.000 0.464 970 T N -1.276 113.450 114.554 0.286 0.000 2.969 970 T HA 0.112 4.462 4.350 0.000 0.000 0.250 970 T C -0.081 174.784 174.700 0.275 0.000 1.021 970 T CA -0.156 62.099 62.100 0.258 0.000 1.003 970 T CB -0.068 68.886 68.868 0.143 0.000 1.040 970 T HN 0.679 nan 8.240 nan 0.000 0.492 971 E N 0.918 121.257 120.200 0.232 0.000 2.114 971 E HA 0.369 4.719 4.350 0.000 0.000 0.266 971 E C 0.104 176.775 176.600 0.119 0.000 0.896 971 E CA -0.955 55.558 56.400 0.187 0.000 0.750 971 E CB 1.129 30.913 29.700 0.140 0.000 1.121 971 E HN 0.097 nan 8.360 nan 0.000 0.413 972 F N 3.262 123.186 119.950 -0.044 0.000 2.111 972 F HA -0.369 4.158 4.527 0.000 0.000 0.300 972 F C 2.385 178.077 175.800 -0.181 0.000 1.088 972 F CA 2.270 60.111 58.000 -0.266 0.000 1.243 972 F CB -0.234 38.677 39.000 -0.148 0.000 0.996 972 F HN 0.625 nan 8.300 nan 0.000 0.483 973 S N 0.127 115.866 115.700 0.065 0.000 2.401 973 S HA -0.305 4.165 4.470 0.000 0.000 0.236 973 S C 2.083 176.597 174.600 -0.143 0.000 1.058 973 S CA 2.016 60.230 58.200 0.023 0.000 1.151 973 S CB -0.585 62.673 63.200 0.098 0.000 1.049 973 S HN 0.561 nan 8.310 nan 0.000 0.432 974 E N 0.869 120.989 120.200 -0.134 0.000 2.153 974 E HA -0.103 4.247 4.350 0.000 0.000 0.194 974 E C 2.104 178.338 176.600 -0.609 0.000 0.988 974 E CA 0.906 57.179 56.400 -0.212 0.000 0.811 974 E CB -0.720 28.990 29.700 0.018 0.000 0.746 974 E HN 0.597 nan 8.360 nan 0.000 0.466 975 L N 1.411 122.143 121.223 -0.818 0.000 2.079 975 L HA -0.167 4.173 4.340 0.000 0.000 0.210 975 L C 2.463 179.030 176.870 -0.505 0.000 1.081 975 L CA 1.758 56.004 54.840 -0.990 0.000 0.752 975 L CB -0.245 41.234 42.059 -0.966 0.000 0.896 975 L HN -0.042 nan 8.230 nan 0.000 0.433 976 R N -0.599 119.591 120.500 -0.517 0.000 2.057 976 R HA -0.128 4.212 4.340 0.000 0.000 0.229 976 R C 1.937 178.177 176.300 -0.100 0.000 1.136 976 R CA 1.454 57.426 56.100 -0.213 0.000 0.952 976 R CB -0.297 29.901 30.300 -0.170 0.000 0.848 976 R HN 0.452 nan 8.270 nan 0.000 0.430 977 N N 0.369 118.968 118.700 -0.168 0.000 2.348 977 N HA -0.197 4.543 4.740 0.000 0.000 0.185 977 N C 1.312 176.742 175.510 -0.133 0.000 1.019 977 N CA 1.047 53.997 53.050 -0.166 0.000 0.880 977 N CB -0.356 38.043 38.487 -0.147 0.000 0.965 977 N HN 0.238 nan 8.380 nan 0.000 0.437 978 F N 0.385 120.150 119.950 -0.308 0.000 2.118 978 F HA 0.139 4.666 4.527 0.000 0.000 0.293 978 F C 0.538 176.093 175.800 -0.409 0.000 1.102 978 F CA 0.510 58.296 58.000 -0.356 0.000 1.247 978 F CB -0.264 38.431 39.000 -0.508 0.000 1.017 978 F HN -0.198 nan 8.300 nan 0.000 0.475 979 F N 2.131 122.024 119.950 -0.096 0.000 2.640 979 F HA 0.249 4.776 4.527 0.000 0.000 0.354 979 F C 0.079 175.871 175.800 -0.013 0.000 1.213 979 F CA 0.014 57.944 58.000 -0.117 0.000 1.314 979 F CB -0.631 38.345 39.000 -0.039 0.000 1.679 979 F HN -0.113 nan 8.300 nan 0.000 0.622 980 T N -1.463 113.067 114.554 -0.040 0.000 2.993 980 T HA 0.842 5.192 4.350 0.000 0.000 0.312 980 T C -0.389 174.262 174.700 -0.081 0.000 1.115 980 T CA -0.863 61.255 62.100 0.029 0.000 1.027 980 T CB 1.730 70.520 68.868 -0.130 0.000 1.116 980 T HN 0.418 nan 8.240 nan 0.000 0.464 981 G N 1.289 110.111 108.800 0.037 0.000 2.684 981 G HA2 0.629 4.589 3.960 0.000 0.000 0.290 981 G HA3 0.629 4.589 3.960 0.000 0.000 0.290 981 G C -2.047 172.883 174.900 0.050 0.000 1.425 981 G CA -0.839 44.256 45.100 -0.007 0.000 0.822 981 G HN 0.686 nan 8.290 nan 0.000 0.482 982 D N -0.411 120.003 120.400 0.023 0.000 2.217 982 D HA 0.606 5.246 4.640 0.000 0.000 0.248 982 D C -0.075 176.263 176.300 0.063 0.000 1.008 982 D CA -0.107 53.923 54.000 0.049 0.000 0.914 982 D CB 2.126 42.936 40.800 0.017 0.000 1.182 982 D HN 0.656 nan 8.370 nan 0.000 0.451 983 V N -1.037 118.939 119.914 0.105 0.000 2.653 983 V HA 0.479 4.599 4.120 0.000 0.000 0.298 983 V C -0.600 175.602 176.094 0.181 0.000 1.097 983 V CA -0.990 61.372 62.300 0.103 0.000 0.908 983 V CB 1.284 33.143 31.823 0.060 0.000 1.024 983 V HN 0.238 nan 8.190 nan 0.000 0.435 984 V N 6.020 126.023 119.914 0.148 0.000 2.427 984 V HA 0.636 4.756 4.120 0.000 0.000 0.286 984 V C -0.078 176.168 176.094 0.254 0.000 1.034 984 V CA -0.283 62.134 62.300 0.194 0.000 0.893 984 V CB 1.492 33.374 31.823 0.098 0.000 0.982 984 V HN 0.828 nan 8.190 nan 0.000 0.452 985 I N 3.992 124.771 120.570 0.348 0.000 2.569 985 I HA 0.477 4.647 4.170 0.000 0.000 0.290 985 I C 0.074 176.303 176.117 0.188 0.000 1.088 985 I CA -0.705 60.759 61.300 0.273 0.000 1.047 985 I CB 2.047 40.145 38.000 0.163 0.000 1.237 985 I HN 0.529 nan 8.210 nan 0.000 0.421 986 R N 3.692 124.141 120.500 -0.085 0.000 2.570 986 R HA 0.006 4.346 4.340 0.000 0.000 0.277 986 R C 0.330 176.455 176.300 -0.292 0.000 1.039 986 R CA 0.034 55.720 56.100 -0.690 0.000 1.065 986 R CB 0.622 30.311 30.300 -1.017 0.000 0.964 986 R HN 0.564 nan 8.270 nan 0.000 0.428 987 D N 1.930 122.193 120.400 -0.229 0.000 2.117 987 D HA -0.095 4.545 4.640 0.000 0.000 0.197 987 D C -0.332 175.908 176.300 -0.099 0.000 0.987 987 D CA 1.530 55.502 54.000 -0.047 0.000 0.829 987 D CB 0.077 40.896 40.800 0.032 0.000 0.961 987 D HN 0.531 nan 8.370 nan 0.000 0.460 988 D N -0.284 119.995 120.400 -0.202 0.000 2.278 988 D HA 0.316 4.956 4.640 0.000 0.000 0.245 988 D C -2.483 173.657 176.300 -0.266 0.000 1.052 988 D CA -1.694 52.200 54.000 -0.176 0.000 0.834 988 D CB 1.897 42.609 40.800 -0.147 0.000 1.194 988 D HN -0.153 nan 8.370 nan 0.000 0.481 989 P HA 0.059 nan 4.420 nan 0.000 0.268 989 P C -0.434 176.779 177.300 -0.145 0.000 1.205 989 P CA -0.061 62.952 63.100 -0.145 0.000 0.771 989 P CB 0.324 31.994 31.700 -0.049 0.000 0.858 990 F N 1.128 121.039 119.950 -0.064 0.000 2.553 990 F HA 0.018 4.545 4.527 0.000 0.000 0.356 990 F C 1.404 177.146 175.800 -0.095 0.000 1.142 990 F CA 0.476 58.430 58.000 -0.078 0.000 1.322 990 F CB 0.257 39.214 39.000 -0.071 0.000 1.126 990 F HN 0.262 nan 8.300 nan 0.000 0.599 991 D N 2.985 123.445 120.400 0.101 0.000 2.396 991 D HA 0.246 4.886 4.640 0.000 0.000 0.225 991 D C -1.035 175.226 176.300 -0.066 0.000 1.121 991 D CA -0.179 53.835 54.000 0.023 0.000 0.853 991 D CB 0.814 41.620 40.800 0.011 0.000 1.043 991 D HN 0.112 nan 8.370 nan 0.000 0.500 992 V N 5.223 125.126 119.914 -0.018 0.000 2.348 992 V HA 0.204 4.324 4.120 0.000 0.000 0.270 992 V C -0.129 176.073 176.094 0.179 0.000 1.037 992 V CA -0.872 61.390 62.300 -0.063 0.000 0.872 992 V CB 0.487 32.181 31.823 -0.214 0.000 1.002 992 V HN 0.499 nan 8.190 nan 0.000 0.464 993 W N 3.797 125.086 121.300 -0.018 0.000 2.388 993 W HA 0.344 5.004 4.660 0.000 0.000 0.308 993 W C 0.959 177.497 176.519 0.030 0.000 1.263 993 W CA -0.729 56.615 57.345 -0.001 0.000 1.286 993 W CB 0.429 29.877 29.460 -0.019 0.000 1.294 993 W HN 0.626 nan 8.180 nan 0.000 0.493 994 D N 1.853 122.386 120.400 0.222 0.000 2.584 994 D HA -0.007 4.633 4.640 0.000 0.000 0.254 994 D C 1.605 177.956 176.300 0.085 0.000 1.085 994 D CA 0.640 54.729 54.000 0.149 0.000 0.971 994 D CB 0.026 40.894 40.800 0.113 0.000 1.103 994 D HN 0.468 nan 8.370 nan 0.000 0.453 995 G N 1.596 110.416 108.800 0.032 0.000 3.356 995 G HA2 0.198 4.158 3.960 0.000 0.000 0.239 995 G HA3 0.198 4.158 3.960 0.000 0.000 0.239 995 G C 0.366 175.245 174.900 -0.035 0.000 1.252 995 G CA -0.112 44.985 45.100 -0.005 0.000 1.611 995 G HN 0.014 nan 8.290 nan 0.000 0.580 996 V N 0.269 120.176 119.914 -0.010 0.000 2.555 996 V HA 0.172 4.292 4.120 0.000 0.000 0.286 996 V C 0.309 176.392 176.094 -0.018 0.000 1.044 996 V CA -0.089 62.192 62.300 -0.032 0.000 1.026 996 V CB 1.036 32.885 31.823 0.044 0.000 0.981 996 V HN 0.333 nan 8.190 nan 0.000 0.480 997 K N 4.023 124.403 120.400 -0.032 0.000 2.404 997 K HA 0.674 4.994 4.320 0.000 0.000 0.257 997 K C -0.390 176.202 176.600 -0.013 0.000 1.026 997 K CA -0.196 56.079 56.287 -0.020 0.000 0.951 997 K CB 1.637 34.124 32.500 -0.022 0.000 1.203 997 K HN 0.779 nan 8.250 nan 0.000 0.446 998 A N 2.834 125.645 122.820 -0.016 0.000 2.328 998 A HA 0.440 4.760 4.320 0.000 0.000 0.318 998 A C -0.504 177.034 177.584 -0.077 0.000 1.347 998 A CA -0.459 51.566 52.037 -0.019 0.000 0.842 998 A CB 0.500 19.499 19.000 -0.001 0.000 1.148 998 A HN 0.503 nan 8.150 nan 0.000 0.499 999 T N 1.342 115.868 114.554 -0.047 0.000 2.893 999 T HA 0.490 4.840 4.350 0.000 0.000 0.291 999 T C -0.409 174.307 174.700 0.026 0.000 1.028 999 T CA -0.262 61.798 62.100 -0.067 0.000 0.995 999 T CB 0.790 69.660 68.868 0.003 0.000 1.051 999 T HN 0.450 nan 8.240 nan 0.000 0.470 1000 Y N 1.201 121.518 120.300 0.029 0.000 2.480 1000 Y HA 0.404 4.954 4.550 0.000 0.000 0.338 1000 Y C 0.542 176.470 175.900 0.047 0.000 1.220 1000 Y CA -0.646 57.468 58.100 0.024 0.000 1.430 1000 Y CB 0.568 39.048 38.460 0.033 0.000 1.311 1000 Y HN 0.336 nan 8.280 nan 0.000 0.575 1001 I N 4.895 125.595 120.570 0.217 0.000 2.582 1001 I HA 0.280 4.450 4.170 0.000 0.000 0.292 1001 I C -2.480 173.694 176.117 0.095 0.000 1.066 1001 I CA -2.406 58.974 61.300 0.133 0.000 1.053 1001 I CB 2.629 40.686 38.000 0.095 0.000 1.241 1001 I HN 0.310 nan 8.210 nan 0.000 0.421 1002 P HA 0.263 nan 4.420 nan 0.000 0.282 1002 P C -0.714 176.621 177.300 0.060 0.000 1.249 1002 P CA -0.294 62.880 63.100 0.124 0.000 0.806 1002 P CB 1.322 33.130 31.700 0.179 0.000 0.984 1003 I N -0.450 120.125 120.570 0.008 0.000 3.110 1003 I HA 0.454 4.624 4.170 0.000 0.000 0.314 1003 I C 0.853 176.977 176.117 0.013 0.000 1.020 1003 I CA -0.457 60.827 61.300 -0.027 0.000 1.169 1003 I CB -0.470 37.470 38.000 -0.101 0.000 1.437 1003 I HN 0.440 nan 8.210 nan 0.000 0.595 1004 G N 1.869 110.688 108.800 0.032 0.000 2.268 1004 G HA2 0.253 4.213 3.960 0.000 0.000 0.330 1004 G HA3 0.253 4.213 3.960 0.000 0.000 0.330 1004 G C 0.333 175.346 174.900 0.187 0.000 1.413 1004 G CA 0.580 45.727 45.100 0.078 0.000 1.094 1004 G HN 0.972 nan 8.290 nan 0.000 0.581 1005 V N -1.297 118.702 119.914 0.141 0.000 3.051 1005 V HA 0.635 4.755 4.120 0.000 0.000 0.306 1005 V C 0.129 176.355 176.094 0.221 0.000 1.083 1005 V CA 0.064 62.440 62.300 0.126 0.000 1.104 1005 V CB 0.926 32.764 31.823 0.024 0.000 1.027 1005 V HN 1.240 nan 8.190 nan 0.000 0.483 1006 H N 0.663 119.718 119.070 -0.025 0.000 2.987 1006 H HA 0.461 5.017 4.556 0.000 0.000 0.316 1006 H C -0.203 175.114 175.328 -0.018 0.000 1.380 1006 H CA -0.457 55.582 56.048 -0.015 0.000 1.160 1006 H CB 1.227 30.985 29.762 -0.007 0.000 1.865 1006 H HN 1.031 nan 8.280 nan 0.000 0.521 1007 G N 0.768 109.592 108.800 0.040 0.000 2.354 1007 G HA2 0.431 4.391 3.960 0.000 0.000 0.266 1007 G HA3 0.431 4.391 3.960 0.000 0.000 0.266 1007 G C -0.376 174.513 174.900 -0.018 0.000 1.242 1007 G CA -0.299 44.790 45.100 -0.018 0.000 0.923 1007 G HN 0.392 nan 8.290 nan 0.000 0.476 1008 V N 4.004 123.859 119.914 -0.098 0.000 2.394 1008 V HA 0.473 4.593 4.120 0.000 0.000 0.282 1008 V C 0.447 176.540 176.094 -0.002 0.000 1.031 1008 V CA -0.837 61.428 62.300 -0.059 0.000 0.881 1008 V CB 1.286 33.019 31.823 -0.150 0.000 0.982 1008 V HN 0.946 nan 8.190 nan 0.000 0.451 1009 R N 5.110 125.635 120.500 0.042 0.000 2.338 1009 R HA 0.704 5.044 4.340 0.000 0.000 0.317 1009 R C -1.323 175.010 176.300 0.056 0.000 0.968 1009 R CA -0.722 55.403 56.100 0.041 0.000 0.849 1009 R CB 0.994 31.321 30.300 0.045 0.000 1.128 1009 R HN 0.601 nan 8.270 nan 0.000 0.448 1010 L N 3.728 124.971 121.223 0.034 0.000 2.283 1010 L HA 0.211 4.551 4.340 0.000 0.000 0.287 1010 L C -0.086 176.796 176.870 0.021 0.000 1.073 1010 L CA -0.637 54.221 54.840 0.030 0.000 0.822 1010 L CB 0.789 42.853 42.059 0.009 0.000 1.186 1010 L HN 0.615 nan 8.230 nan 0.000 0.436 1011 D N 5.842 126.257 120.400 0.024 0.000 2.533 1011 D HA 0.041 4.681 4.640 0.000 0.000 0.236 1011 D C -1.946 174.348 176.300 -0.010 0.000 1.137 1011 D CA -0.351 53.653 54.000 0.007 0.000 0.867 1011 D CB 0.852 41.648 40.800 -0.007 0.000 1.170 1011 D HN 0.297 nan 8.370 nan 0.000 0.474 1012 P HA 0.057 nan 4.420 nan 0.000 0.274 1012 P C -0.205 177.082 177.300 -0.021 0.000 1.231 1012 P CA -0.567 62.526 63.100 -0.012 0.000 0.790 1012 P CB 0.971 32.668 31.700 -0.004 0.000 0.951 1013 N N 0.276 118.961 118.700 -0.025 0.000 2.482 1013 N HA 0.097 4.837 4.740 0.000 0.000 0.260 1013 N C 0.847 176.341 175.510 -0.027 0.000 1.236 1013 N CA 0.163 53.192 53.050 -0.035 0.000 0.938 1013 N CB 0.260 38.723 38.487 -0.040 0.000 1.128 1013 N HN 0.493 nan 8.380 nan 0.000 0.448 1014 G N 1.172 109.952 108.800 -0.033 0.000 2.272 1014 G HA2 0.038 3.998 3.960 0.000 0.000 0.274 1014 G HA3 0.038 3.998 3.960 0.000 0.000 0.274 1014 G C 0.136 175.023 174.900 -0.021 0.000 1.136 1014 G CA -0.221 44.864 45.100 -0.026 0.000 1.098 1014 G HN 0.607 nan 8.290 nan 0.000 0.425 1015 D N 1.624 122.017 120.400 -0.013 0.000 2.539 1015 D HA 0.527 5.167 4.640 0.000 0.000 0.280 1015 D C 0.454 176.751 176.300 -0.005 0.000 1.208 1015 D CA -0.524 53.472 54.000 -0.007 0.000 1.088 1015 D CB 0.696 41.495 40.800 -0.001 0.000 1.149 1015 D HN 0.453 nan 8.370 nan 0.000 0.596 1016 Q N 0.000 119.799 119.800 -0.001 0.000 2.315 1016 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 1016 Q CA 0.000 55.803 55.803 -0.000 0.000 1.022 1016 Q CB 0.000 28.738 28.738 -0.000 0.000 1.108 1016 Q HN 0.000 nan 8.270 nan 0.000 0.481