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 1l2a_1_F DATA FIRST_RESID 28 DATA SEQUENCE GPTKAPTKDG TSYKDLFLEL YGKIKDPKNG YFSPDEGIPY HSIETLIVEA DATA SEQUENCE PDYGHVTTSE AFSYYVWLEA MYGNLTGNWS GVETAWKVME DWIIPDSTEQ DATA SEQUENCE PGMSSYNPNS PATYADEYED PSYYPSELKF DTVRVGSDPV HNDLVSAYGP DATA SEQUENCE NMYLMHWLMD VDNWYGFGTG TRATFINTFQ RGEQESTWET IPHPSIEEFK DATA SEQUENCE YGGPNGFLDL FTKDRSYAKQ WRYTNAPDAE GRAIQAVYWA NKWAKEQGKG DATA SEQUENCE SAVASVVSKA AKMGDFLRND MFDKYFMKIG AQDKTPATGY DSAHYLMAWY DATA SEQUENCE TAWGGGIGAS WAWKIGCSHA HFGYQNPFQG WVSATQSDFA PKSSNGKRDW DATA SEQUENCE TTSYKRQLEF YQWLQSAEGG IAGGATNSWN GRYEKYPAGT STFYGMAYVP DATA SEQUENCE HPVYADPGSN QWFGFQAWSM QRVMEYYLET GDSSVKNLIK KWVDWVMSEI DATA SEQUENCE KLYDDGTFAI PSDLEWSGQP DTWTGTYTGN PNLHVRVTSY GTDLGVAGSL DATA SEQUENCE ANALATYAAA TERWEGKLDT KARDMAAELV NRAWYNFYCS EGKGVVTEEA DATA SEQUENCE RADYKRFFEQ EVYVPAGWSG TMPNGDKIQP GIKFIDIRTK YRQDPYYDIV DATA SEQUENCE YQAYLRGEAP VLNYHRFWHE VDLAVAMGVL ATYFPDMTYK VP 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 28 G HA2 0.000 nan 3.960 nan 0.000 0.244 28 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 28 G C 0.000 174.871 174.900 -0.049 0.000 0.946 28 G CA 0.000 45.074 45.100 -0.044 0.000 0.502 29 P HA 0.428 nan 4.420 nan 0.000 0.271 29 P C 0.018 177.235 177.300 -0.139 0.000 1.218 29 P CA 0.109 63.158 63.100 -0.086 0.000 0.780 29 P CB 1.361 33.004 31.700 -0.095 0.000 0.901 30 T N -1.128 113.346 114.554 -0.132 0.000 2.838 30 T HA 0.435 4.786 4.350 0.002 0.000 0.292 30 T C -0.299 174.250 174.700 -0.252 0.000 1.113 30 T CA -1.151 60.855 62.100 -0.156 0.000 1.008 30 T CB 1.157 69.985 68.868 -0.065 0.000 1.259 30 T HN 0.116 nan 8.240 nan 0.000 0.520 31 K N 1.249 121.443 120.400 -0.343 0.000 2.379 31 K HA 0.537 4.858 4.320 0.002 0.000 0.284 31 K C 0.457 176.763 176.600 -0.491 0.000 1.044 31 K CA -0.275 55.649 56.287 -0.606 0.000 0.974 31 K CB 0.621 32.755 32.500 -0.611 0.000 0.962 31 K HN 0.892 nan 8.250 nan 0.000 0.474 32 A N 5.376 127.864 122.820 -0.553 0.000 2.540 32 A HA 0.112 4.433 4.320 0.002 0.000 0.239 32 A C -1.082 176.272 177.584 -0.384 0.000 1.061 32 A CA -0.729 50.862 52.037 -0.742 0.000 0.758 32 A CB -0.145 18.476 19.000 -0.632 0.000 0.991 32 A HN 0.496 nan 8.150 nan 0.000 0.502 33 P HA 0.022 nan 4.420 nan 0.000 0.249 33 P C 0.246 177.522 177.300 -0.040 0.000 1.229 33 P CA 0.287 63.271 63.100 -0.193 0.000 0.788 33 P CB -0.285 31.288 31.700 -0.212 0.000 1.072 34 T N 1.355 115.910 114.554 0.002 0.000 2.908 34 T HA 0.264 4.615 4.350 0.002 0.000 0.301 34 T C 0.730 175.550 174.700 0.200 0.000 1.019 34 T CA 0.445 62.608 62.100 0.104 0.000 1.152 34 T CB 0.123 69.029 68.868 0.064 0.000 0.966 34 T HN 0.237 nan 8.240 nan 0.000 0.540 35 K N 2.736 123.220 120.400 0.141 0.000 2.185 35 K HA 0.288 4.609 4.320 0.002 0.000 0.271 35 K C 0.128 176.834 176.600 0.177 0.000 1.013 35 K CA -0.842 55.523 56.287 0.131 0.000 0.943 35 K CB 0.255 32.794 32.500 0.066 0.000 0.998 35 K HN 0.696 nan 8.250 nan 0.000 0.468 36 D N 0.528 120.992 120.400 0.107 0.000 2.449 36 D HA 0.323 4.964 4.640 0.002 0.000 0.236 36 D C 1.405 177.721 176.300 0.027 0.000 1.149 36 D CA 1.974 55.999 54.000 0.041 0.000 0.878 36 D CB 0.810 41.588 40.800 -0.037 0.000 1.198 36 D HN 1.008 nan 8.370 nan 0.000 0.446 37 G N 1.347 110.142 108.800 -0.009 0.000 2.179 37 G HA2 -0.287 3.674 3.960 0.002 0.000 0.260 37 G HA3 -0.287 3.674 3.960 0.002 0.000 0.260 37 G C 0.490 175.367 174.900 -0.038 0.000 0.977 37 G CA 0.496 45.576 45.100 -0.033 0.000 0.641 37 G HN 0.581 nan 8.290 nan 0.000 0.533 38 T N 2.120 116.670 114.554 -0.006 0.000 2.817 38 T HA 0.456 4.807 4.350 0.002 0.000 0.295 38 T C 1.042 175.635 174.700 -0.179 0.000 0.958 38 T CA 0.593 62.657 62.100 -0.059 0.000 1.157 38 T CB 1.109 69.950 68.868 -0.046 0.000 0.898 38 T HN 1.242 nan 8.240 nan 0.000 0.536 39 S N 3.621 119.227 115.700 -0.157 0.000 2.562 39 S HA 0.085 4.556 4.470 0.002 0.000 0.281 39 S C 0.910 175.390 174.600 -0.200 0.000 1.333 39 S CA -0.528 57.565 58.200 -0.180 0.000 1.052 39 S CB 0.189 63.341 63.200 -0.080 0.000 0.884 39 S HN 0.574 nan 8.310 nan 0.000 0.506 40 Y N 2.181 122.468 120.300 -0.022 0.000 2.256 40 Y HA -0.128 4.423 4.550 0.002 0.000 0.288 40 Y C 2.446 178.317 175.900 -0.048 0.000 1.155 40 Y CA 1.651 59.722 58.100 -0.047 0.000 1.203 40 Y CB -0.562 37.884 38.460 -0.022 0.000 0.980 40 Y HN 0.803 nan 8.280 nan 0.000 0.530 41 K N 0.353 120.792 120.400 0.065 0.000 2.074 41 K HA -0.226 4.095 4.320 0.002 0.000 0.209 41 K C 1.354 177.985 176.600 0.051 0.000 1.048 41 K CA 2.125 58.420 56.287 0.013 0.000 0.926 41 K CB -0.143 32.324 32.500 -0.055 0.000 0.713 41 K HN 0.209 nan 8.250 nan 0.000 0.444 42 D N 0.635 121.030 120.400 -0.008 0.000 2.149 42 D HA -0.098 4.543 4.640 0.002 0.000 0.201 42 D C 1.989 178.252 176.300 -0.063 0.000 0.972 42 D CA 0.684 54.670 54.000 -0.024 0.000 0.835 42 D CB -0.025 40.747 40.800 -0.046 0.000 0.966 42 D HN 0.234 nan 8.370 nan 0.000 0.476 43 L N -0.052 121.089 121.223 -0.136 0.000 2.046 43 L HA -0.160 4.181 4.340 0.002 0.000 0.208 43 L C 2.362 179.103 176.870 -0.214 0.000 1.077 43 L CA 0.890 55.532 54.840 -0.329 0.000 0.747 43 L CB -0.417 41.354 42.059 -0.480 0.000 0.896 43 L HN 0.008 nan 8.230 nan 0.000 0.432 44 F N 0.990 120.848 119.950 -0.155 0.000 2.046 44 F HA -0.279 4.249 4.527 0.002 0.000 0.297 44 F C 2.305 178.107 175.800 0.002 0.000 1.123 44 F CA 1.701 59.652 58.000 -0.082 0.000 1.199 44 F CB -0.348 38.606 39.000 -0.076 0.000 0.972 44 F HN -0.122 nan 8.300 nan 0.000 0.474 45 L N 0.149 121.402 121.223 0.049 0.000 2.081 45 L HA -0.255 4.086 4.340 0.002 0.000 0.212 45 L C 2.537 179.406 176.870 -0.002 0.000 1.080 45 L CA 1.955 56.813 54.840 0.030 0.000 0.754 45 L CB -0.900 41.219 42.059 0.099 0.000 0.893 45 L HN 0.356 nan 8.230 nan 0.000 0.433 46 E N 0.592 120.772 120.200 -0.032 0.000 2.015 46 E HA -0.236 4.116 4.350 0.002 0.000 0.191 46 E C 2.412 179.016 176.600 0.008 0.000 0.991 46 E CA 1.043 57.454 56.400 0.019 0.000 0.802 46 E CB -0.055 29.674 29.700 0.047 0.000 0.759 46 E HN 0.409 nan 8.360 nan 0.000 0.447 47 L N 0.312 121.480 121.223 -0.091 0.000 2.012 47 L HA -0.225 4.117 4.340 0.002 0.000 0.210 47 L C 2.532 179.304 176.870 -0.163 0.000 1.073 47 L CA 1.682 56.479 54.840 -0.073 0.000 0.748 47 L CB -0.453 41.529 42.059 -0.129 0.000 0.891 47 L HN 0.360 nan 8.230 nan 0.000 0.431 48 Y N 0.424 120.448 120.300 -0.460 0.000 2.081 48 Y HA -0.287 4.265 4.550 0.002 0.000 0.280 48 Y C 2.269 178.044 175.900 -0.209 0.000 1.163 48 Y CA 2.015 59.855 58.100 -0.433 0.000 1.135 48 Y CB -0.765 37.337 38.460 -0.596 0.000 0.970 48 Y HN 0.173 nan 8.280 nan 0.000 0.498 49 G N -0.145 108.668 108.800 0.022 0.000 2.450 49 G HA2 -0.264 3.698 3.960 0.002 0.000 0.220 49 G HA3 -0.264 3.698 3.960 0.002 0.000 0.220 49 G C 1.632 176.500 174.900 -0.054 0.000 1.130 49 G CA 1.113 46.217 45.100 0.007 0.000 0.760 49 G HN 0.421 nan 8.290 nan 0.000 0.557 50 K N -0.289 120.092 120.400 -0.031 0.000 2.116 50 K HA 0.182 4.503 4.320 0.002 0.000 0.203 50 K C 2.395 179.031 176.600 0.060 0.000 1.052 50 K CA 0.430 56.736 56.287 0.031 0.000 0.952 50 K CB -0.100 32.443 32.500 0.073 0.000 0.729 50 K HN 0.309 nan 8.250 nan 0.000 0.446 51 I N 1.377 121.881 120.570 -0.110 0.000 2.286 51 I HA -0.247 3.924 4.170 0.002 0.000 0.248 51 I C 1.869 178.016 176.117 0.049 0.000 1.115 51 I CA 1.156 62.323 61.300 -0.222 0.000 1.392 51 I CB -0.031 37.704 38.000 -0.443 0.000 1.065 51 I HN 0.018 nan 8.210 nan 0.000 0.418 52 K N 0.053 120.362 120.400 -0.152 0.000 2.426 52 K HA 0.039 4.360 4.320 0.002 0.000 0.193 52 K C 0.256 176.813 176.600 -0.071 0.000 1.028 52 K CA 0.200 56.381 56.287 -0.177 0.000 1.047 52 K CB -0.391 31.803 32.500 -0.510 0.000 0.821 52 K HN 0.158 nan 8.250 nan 0.000 0.513 53 D N 2.343 122.745 120.400 0.003 0.000 2.346 53 D HA 0.030 4.671 4.640 0.002 0.000 0.260 53 D C -1.714 174.610 176.300 0.041 0.000 1.252 53 D CA -2.039 51.969 54.000 0.015 0.000 0.895 53 D CB 1.463 42.279 40.800 0.026 0.000 1.097 53 D HN -0.120 nan 8.370 nan 0.000 0.489 54 P HA -0.186 nan 4.420 nan 0.000 0.216 54 P C 1.210 178.516 177.300 0.011 0.000 1.150 54 P CA 1.952 65.060 63.100 0.012 0.000 0.843 54 P CB 0.064 31.757 31.700 -0.012 0.000 0.787 55 K N -0.093 120.308 120.400 0.000 0.000 2.211 55 K HA -0.168 4.153 4.320 0.002 0.000 0.204 55 K C 1.746 178.322 176.600 -0.039 0.000 1.047 55 K CA 1.771 58.049 56.287 -0.014 0.000 0.935 55 K CB -1.683 30.809 32.500 -0.012 0.000 0.728 55 K HN 0.227 nan 8.250 nan 0.000 0.452 56 N N -0.835 117.843 118.700 -0.037 0.000 2.463 56 N HA 0.083 4.824 4.740 0.002 0.000 0.181 56 N C 1.294 176.666 175.510 -0.231 0.000 1.078 56 N CA 0.982 53.955 53.050 -0.129 0.000 0.902 56 N CB 0.580 39.022 38.487 -0.075 0.000 0.970 56 N HN 0.656 nan 8.380 nan 0.000 0.451 57 G N 0.251 108.999 108.800 -0.087 0.000 2.147 57 G HA2 -0.334 3.627 3.960 0.002 0.000 0.244 57 G HA3 -0.334 3.627 3.960 0.002 0.000 0.244 57 G C 0.540 175.408 174.900 -0.052 0.000 1.005 57 G CA 0.358 45.425 45.100 -0.055 0.000 0.713 57 G HN 0.345 nan 8.290 nan 0.000 0.515 58 Y N -0.920 119.386 120.300 0.011 0.000 2.293 58 Y HA 0.329 4.881 4.550 0.002 0.000 0.291 58 Y C 1.525 177.113 175.900 -0.519 0.000 1.137 58 Y CA 1.152 59.160 58.100 -0.153 0.000 1.202 58 Y CB -0.028 38.344 38.460 -0.147 0.000 0.990 58 Y HN 0.326 nan 8.280 nan 0.000 0.537 59 F N -0.993 118.822 119.950 -0.225 0.000 2.507 59 F HA 0.363 4.891 4.527 0.002 0.000 0.327 59 F C 0.501 175.938 175.800 -0.604 0.000 1.068 59 F CA -1.950 55.707 58.000 -0.573 0.000 0.965 59 F CB 0.832 39.549 39.000 -0.472 0.000 1.192 59 F HN -0.373 nan 8.300 nan 0.000 0.476 60 S N 1.626 116.901 115.700 -0.710 0.000 2.560 60 S HA 0.148 4.619 4.470 0.002 0.000 0.284 60 S C -2.029 172.463 174.600 -0.179 0.000 1.327 60 S CA -0.858 57.050 58.200 -0.486 0.000 1.055 60 S CB 0.898 63.773 63.200 -0.542 0.000 0.868 60 S HN 0.410 nan 8.310 nan 0.000 0.506 61 P HA -0.002 nan 4.420 nan 0.000 0.217 61 P C 0.491 177.761 177.300 -0.051 0.000 1.151 61 P CA 1.023 64.100 63.100 -0.039 0.000 0.828 61 P CB 0.015 31.713 31.700 -0.003 0.000 0.788 62 D N -0.838 119.519 120.400 -0.071 0.000 2.289 62 D HA -0.038 4.603 4.640 0.002 0.000 0.207 62 D C 1.142 177.407 176.300 -0.057 0.000 0.966 62 D CA 0.888 54.856 54.000 -0.054 0.000 0.868 62 D CB 0.062 40.831 40.800 -0.052 0.000 0.943 62 D HN 0.288 nan 8.370 nan 0.000 0.514 63 E N -1.206 118.912 120.200 -0.136 0.000 2.603 63 E HA 0.291 4.642 4.350 0.002 0.000 0.224 63 E C 1.114 177.690 176.600 -0.039 0.000 0.896 63 E CA 0.364 56.701 56.400 -0.105 0.000 1.224 63 E CB 0.973 30.355 29.700 -0.529 0.000 1.206 63 E HN 0.043 nan 8.360 nan 0.000 0.576 64 G N 1.714 110.448 108.800 -0.109 0.000 2.198 64 G HA2 -0.304 3.657 3.960 0.002 0.000 0.260 64 G HA3 -0.304 3.657 3.960 0.002 0.000 0.260 64 G C 0.040 174.909 174.900 -0.053 0.000 1.025 64 G CA 0.208 45.242 45.100 -0.109 0.000 0.769 64 G HN 0.252 nan 8.290 nan 0.000 0.507 65 I N 2.285 122.718 120.570 -0.228 0.000 2.416 65 I HA 0.249 4.420 4.170 0.002 0.000 0.288 65 I C -1.437 174.251 176.117 -0.716 0.000 1.051 65 I CA -2.246 58.824 61.300 -0.385 0.000 1.375 65 I CB 1.149 38.905 38.000 -0.406 0.000 1.407 65 I HN -0.053 nan 8.210 nan 0.000 0.516 66 P HA 0.052 nan 4.420 nan 0.000 0.276 66 P C -1.140 175.525 177.300 -1.059 0.000 1.243 66 P CA 0.036 62.195 63.100 -1.569 0.000 0.768 66 P CB 0.292 30.699 31.700 -2.156 0.000 0.856 67 Y N 1.163 121.038 120.300 -0.708 0.000 2.314 67 Y HA 0.038 4.590 4.550 0.002 0.000 0.334 67 Y C 2.460 178.218 175.900 -0.236 0.000 1.266 67 Y CA 0.288 58.141 58.100 -0.412 0.000 1.391 67 Y CB -0.177 38.032 38.460 -0.418 0.000 1.306 67 Y HN 0.512 nan 8.280 nan 0.000 0.558 68 H N 0.344 119.438 119.070 0.040 0.000 2.319 68 H HA -0.066 4.492 4.556 0.002 0.000 0.299 68 H C 0.008 175.389 175.328 0.088 0.000 1.092 68 H CA 1.450 57.542 56.048 0.075 0.000 1.302 68 H CB 0.193 29.980 29.762 0.043 0.000 1.373 68 H HN 0.512 nan 8.280 nan 0.000 0.497 69 S N -2.159 113.561 115.700 0.032 0.000 2.596 69 S HA 0.263 4.734 4.470 0.002 0.000 0.270 69 S C 0.970 175.598 174.600 0.047 0.000 1.155 69 S CA -0.410 57.783 58.200 -0.012 0.000 0.827 69 S CB 0.654 63.771 63.200 -0.139 0.000 1.130 69 S HN 0.184 nan 8.310 nan 0.000 0.467 70 I N 0.680 121.248 120.570 -0.003 0.000 2.127 70 I HA -0.157 4.014 4.170 0.002 0.000 0.241 70 I C 0.752 176.831 176.117 -0.064 0.000 1.075 70 I CA 1.513 62.764 61.300 -0.082 0.000 1.334 70 I CB -0.464 37.358 38.000 -0.296 0.000 1.040 70 I HN 0.682 nan 8.210 nan 0.000 0.405 71 E N 0.536 120.707 120.200 -0.049 0.000 2.390 71 E HA 0.003 4.354 4.350 0.002 0.000 0.261 71 E C 1.166 177.596 176.600 -0.283 0.000 1.076 71 E CA 0.413 56.764 56.400 -0.081 0.000 0.905 71 E CB 0.613 30.383 29.700 0.118 0.000 0.984 71 E HN 0.266 nan 8.360 nan 0.000 0.427 72 T N -0.352 113.990 114.554 -0.354 0.000 3.010 72 T HA 0.051 4.402 4.350 0.002 0.000 0.252 72 T C 0.844 175.391 174.700 -0.255 0.000 1.047 72 T CA -0.299 61.411 62.100 -0.650 0.000 1.140 72 T CB 0.214 68.661 68.868 -0.702 0.000 0.885 72 T HN 0.185 nan 8.240 nan 0.000 0.464 73 L N 2.603 123.872 121.223 0.077 0.000 2.454 73 L HA 0.607 4.948 4.340 0.002 0.000 0.284 73 L C -0.703 176.297 176.870 0.216 0.000 1.139 73 L CA -0.363 54.590 54.840 0.188 0.000 0.911 73 L CB -0.852 41.283 42.059 0.127 0.000 1.262 73 L HN 0.474 nan 8.230 nan 0.000 0.453 74 I N 4.442 125.085 120.570 0.122 0.000 2.731 74 I HA 0.380 4.552 4.170 0.002 0.000 0.289 74 I C -1.674 174.418 176.117 -0.041 0.000 1.399 74 I CA -0.446 60.881 61.300 0.044 0.000 1.048 74 I CB 2.283 40.094 38.000 -0.314 0.000 1.345 74 I HN 0.140 nan 8.210 nan 0.000 0.425 75 V N 7.544 127.418 119.914 -0.066 0.000 2.525 75 V HA 0.641 4.762 4.120 0.002 0.000 0.299 75 V C -0.424 175.564 176.094 -0.177 0.000 1.034 75 V CA -0.213 61.886 62.300 -0.335 0.000 0.863 75 V CB 1.583 32.762 31.823 -1.072 0.000 0.999 75 V HN 0.892 nan 8.190 nan 0.000 0.423 76 E N 3.963 124.045 120.200 -0.196 0.000 2.090 76 E HA 0.589 4.940 4.350 0.002 0.000 0.221 76 E C 1.121 177.676 176.600 -0.076 0.000 1.323 76 E CA -0.272 56.068 56.400 -0.100 0.000 0.934 76 E CB 0.882 30.564 29.700 -0.030 0.000 1.828 76 E HN 0.499 nan 8.360 nan 0.000 0.519 77 A N 0.619 123.436 122.820 -0.004 0.000 1.883 77 A HA -0.154 4.167 4.320 0.002 0.000 0.232 77 A C -1.178 176.570 177.584 0.272 0.000 1.671 77 A CA 2.636 54.762 52.037 0.148 0.000 0.748 77 A CB -2.512 16.570 19.000 0.136 0.000 0.850 77 A HN 0.607 nan 8.150 nan 0.000 0.488 78 P HA 0.233 nan 4.420 nan 0.000 0.276 78 P C -0.933 176.318 177.300 -0.082 0.000 1.244 78 P CA 0.336 63.441 63.100 0.008 0.000 0.801 78 P CB 0.759 32.323 31.700 -0.227 0.000 1.006 79 D N -0.891 119.506 120.400 -0.005 0.000 2.469 79 D HA 0.072 4.713 4.640 0.002 0.000 0.213 79 D C -0.444 175.978 176.300 0.203 0.000 1.135 79 D CA -0.096 53.922 54.000 0.031 0.000 0.834 79 D CB -0.417 40.445 40.800 0.103 0.000 1.009 79 D HN 0.342 nan 8.370 nan 0.000 0.507 80 Y N -0.311 119.959 120.300 -0.050 0.000 2.479 80 Y HA 0.517 5.068 4.550 0.002 0.000 0.338 80 Y C 1.112 176.905 175.900 -0.178 0.000 1.055 80 Y CA -0.755 57.234 58.100 -0.186 0.000 1.023 80 Y CB 2.156 40.327 38.460 -0.481 0.000 1.287 80 Y HN -0.174 nan 8.280 nan 0.000 0.447 81 G N 2.061 110.357 108.800 -0.840 0.000 2.443 81 G HA2 -0.151 3.811 3.960 0.002 0.000 0.219 81 G HA3 -0.151 3.811 3.960 0.002 0.000 0.219 81 G C 0.619 175.316 174.900 -0.340 0.000 1.131 81 G CA 0.580 45.388 45.100 -0.487 0.000 0.775 81 G HN 0.844 nan 8.290 nan 0.000 0.547 82 H N -0.359 118.112 119.070 -0.997 0.000 2.507 82 H HA 0.277 4.834 4.556 0.002 0.000 0.294 82 H C 0.799 176.134 175.328 0.013 0.000 1.064 82 H CA -0.752 54.959 56.048 -0.562 0.000 1.138 82 H CB 0.518 29.782 29.762 -0.829 0.000 1.515 82 H HN 0.252 nan 8.280 nan 0.000 0.547 83 V N -0.830 119.177 119.914 0.154 0.000 3.264 83 V HA 0.267 4.388 4.120 0.002 0.000 0.304 83 V C 0.576 176.747 176.094 0.127 0.000 1.086 83 V CA -0.438 61.962 62.300 0.166 0.000 1.090 83 V CB 1.842 33.717 31.823 0.087 0.000 1.112 83 V HN 0.084 nan 8.190 nan 0.000 0.472 84 T N 1.280 115.874 114.554 0.067 0.000 2.932 84 T HA 0.732 5.084 4.350 0.002 0.000 0.289 84 T C -0.239 174.498 174.700 0.062 0.000 1.039 84 T CA 0.233 62.360 62.100 0.045 0.000 1.024 84 T CB 1.339 70.214 68.868 0.012 0.000 1.090 84 T HN 1.422 nan 8.240 nan 0.000 0.496 85 T N -0.157 114.480 114.554 0.138 0.000 2.924 85 T HA 0.436 4.788 4.350 0.002 0.000 0.291 85 T C 1.541 176.435 174.700 0.322 0.000 1.045 85 T CA -0.123 62.079 62.100 0.171 0.000 1.015 85 T CB 1.358 70.376 68.868 0.251 0.000 1.103 85 T HN 0.599 nan 8.240 nan 0.000 0.496 86 S N 0.115 115.976 115.700 0.269 0.000 2.399 86 S HA -0.199 4.272 4.470 0.002 0.000 0.231 86 S C 1.661 176.413 174.600 0.252 0.000 1.022 86 S CA 1.264 59.613 58.200 0.248 0.000 0.983 86 S CB -0.785 62.489 63.200 0.123 0.000 0.803 86 S HN 0.866 nan 8.310 nan 0.000 0.480 87 E N 2.055 122.398 120.200 0.238 0.000 2.035 87 E HA -0.267 4.084 4.350 0.002 0.000 0.204 87 E C 2.265 179.114 176.600 0.416 0.000 1.025 87 E CA 1.482 58.026 56.400 0.240 0.000 0.835 87 E CB -0.666 29.177 29.700 0.237 0.000 0.764 87 E HN 0.635 nan 8.360 nan 0.000 0.457 88 A N 0.211 123.282 122.820 0.418 0.000 1.892 88 A HA -0.216 4.105 4.320 0.002 0.000 0.218 88 A C 2.040 179.859 177.584 0.391 0.000 1.188 88 A CA 1.866 54.150 52.037 0.411 0.000 0.631 88 A CB -1.158 17.871 19.000 0.048 0.000 0.822 88 A HN 0.424 nan 8.150 nan 0.000 0.447 89 F N 1.100 121.201 119.950 0.252 0.000 2.171 89 F HA -0.197 4.331 4.527 0.002 0.000 0.300 89 F C 2.987 178.960 175.800 0.288 0.000 1.090 89 F CA 1.761 59.926 58.000 0.275 0.000 1.293 89 F CB -0.248 38.815 39.000 0.105 0.000 1.013 89 F HN 0.381 nan 8.300 nan 0.000 0.486 90 S N -1.127 114.801 115.700 0.381 0.000 2.402 90 S HA -0.224 4.247 4.470 0.002 0.000 0.229 90 S C 1.855 176.615 174.600 0.267 0.000 1.021 90 S CA 0.914 59.236 58.200 0.203 0.000 0.974 90 S CB -1.115 62.083 63.200 -0.005 0.000 0.800 90 S HN 0.379 nan 8.310 nan 0.000 0.484 91 Y N 0.439 121.005 120.300 0.444 0.000 2.242 91 Y HA -0.015 4.537 4.550 0.002 0.000 0.291 91 Y C 2.548 178.846 175.900 0.663 0.000 1.137 91 Y CA 1.170 59.604 58.100 0.557 0.000 1.181 91 Y CB -0.714 38.036 38.460 0.483 0.000 0.989 91 Y HN 0.354 nan 8.280 nan 0.000 0.527 92 Y N 0.228 120.968 120.300 0.735 0.000 2.114 92 Y HA -0.231 4.320 4.550 0.002 0.000 0.284 92 Y C 2.317 178.556 175.900 0.565 0.000 1.143 92 Y CA 1.290 59.794 58.100 0.673 0.000 1.135 92 Y CB -0.920 37.830 38.460 0.483 0.000 0.980 92 Y HN -0.086 nan 8.280 nan 0.000 0.499 93 V N -0.793 119.371 119.914 0.417 0.000 2.332 93 V HA -0.309 3.812 4.120 0.002 0.000 0.248 93 V C 2.167 178.596 176.094 0.558 0.000 1.055 93 V CA 1.971 64.495 62.300 0.374 0.000 1.038 93 V CB -1.044 31.018 31.823 0.398 0.000 0.651 93 V HN 0.605 nan 8.190 nan 0.000 0.450 94 W N 0.205 121.722 121.300 0.362 0.000 2.388 94 W HA -0.092 4.570 4.660 0.002 0.000 0.294 94 W C 2.199 178.983 176.519 0.441 0.000 1.212 94 W CA 1.320 58.885 57.345 0.366 0.000 1.271 94 W CB -0.729 28.885 29.460 0.256 0.000 1.126 94 W HN 0.250 nan 8.180 nan 0.000 0.535 95 L N 1.350 122.964 121.223 0.652 0.000 1.989 95 L HA -0.215 4.126 4.340 0.002 0.000 0.211 95 L C 2.304 179.567 176.870 0.656 0.000 1.071 95 L CA 2.263 57.450 54.840 0.578 0.000 0.749 95 L CB -1.045 41.341 42.059 0.544 0.000 0.890 95 L HN -0.164 nan 8.230 nan 0.000 0.431 96 E N -0.178 120.393 120.200 0.618 0.000 2.150 96 E HA -0.132 4.219 4.350 0.002 0.000 0.193 96 E C 2.201 179.115 176.600 0.523 0.000 0.985 96 E CA 1.132 57.861 56.400 0.548 0.000 0.814 96 E CB -0.484 29.469 29.700 0.423 0.000 0.752 96 E HN 0.629 nan 8.360 nan 0.000 0.466 97 A N 1.342 124.536 122.820 0.624 0.000 1.883 97 A HA -0.206 4.115 4.320 0.002 0.000 0.217 97 A C 2.226 180.222 177.584 0.686 0.000 1.186 97 A CA 2.041 54.550 52.037 0.787 0.000 0.624 97 A CB -0.441 19.076 19.000 0.862 0.000 0.822 97 A HN 0.221 nan 8.150 nan 0.000 0.444 98 M N -1.878 118.021 119.600 0.497 0.000 2.175 98 M HA -0.080 4.401 4.480 0.002 0.000 0.264 98 M C 1.908 178.047 176.300 -0.268 0.000 1.063 98 M CA 1.668 56.964 55.300 -0.008 0.000 1.119 98 M CB -0.801 31.692 32.600 -0.178 0.000 1.377 98 M HN 0.493 nan 8.290 nan 0.000 0.415 99 Y N 0.226 120.491 120.300 -0.059 0.000 2.128 99 Y HA -0.068 4.484 4.550 0.002 0.000 0.284 99 Y C 2.106 177.725 175.900 -0.468 0.000 1.154 99 Y CA 2.092 60.075 58.100 -0.194 0.000 1.149 99 Y CB -0.991 37.282 38.460 -0.313 0.000 0.976 99 Y HN 0.286 nan 8.280 nan 0.000 0.505 100 G N 0.056 108.482 108.800 -0.622 0.000 2.446 100 G HA2 -0.416 3.545 3.960 0.002 0.000 0.217 100 G HA3 -0.416 3.545 3.960 0.002 0.000 0.217 100 G C 1.647 175.802 174.900 -1.241 0.000 1.168 100 G CA 1.031 45.110 45.100 -1.703 0.000 0.771 100 G HN 0.583 nan 8.290 nan 0.000 0.551 101 N N 0.050 118.405 118.700 -0.574 0.000 2.060 101 N HA -0.095 4.646 4.740 0.002 0.000 0.195 101 N C 2.073 177.262 175.510 -0.536 0.000 1.028 101 N CA 1.043 53.833 53.050 -0.433 0.000 0.861 101 N CB -0.191 37.659 38.487 -1.063 0.000 1.029 101 N HN 0.339 nan 8.380 nan 0.000 0.428 102 L N -1.028 119.818 121.223 -0.628 0.000 2.591 102 L HA 0.066 4.407 4.340 0.002 0.000 0.228 102 L C 1.485 178.077 176.870 -0.465 0.000 1.133 102 L CA 0.418 54.940 54.840 -0.530 0.000 0.880 102 L CB 0.424 42.154 42.059 -0.549 0.000 1.033 102 L HN 0.191 nan 8.230 nan 0.000 0.450 103 T N -1.946 112.261 114.554 -0.578 0.000 3.029 103 T HA 0.203 4.554 4.350 0.002 0.000 0.256 103 T C 1.190 175.624 174.700 -0.443 0.000 0.914 103 T CA 0.703 62.457 62.100 -0.576 0.000 0.880 103 T CB 0.668 68.919 68.868 -1.029 0.000 1.246 103 T HN 0.375 nan 8.240 nan 0.000 0.523 104 G N 2.350 110.872 108.800 -0.464 0.000 2.179 104 G HA2 -0.205 3.756 3.960 0.002 0.000 0.260 104 G HA3 -0.205 3.756 3.960 0.002 0.000 0.260 104 G C -0.138 174.570 174.900 -0.320 0.000 0.977 104 G CA -0.039 44.912 45.100 -0.248 0.000 0.641 104 G HN 0.504 nan 8.290 nan 0.000 0.533 105 N N -0.117 118.258 118.700 -0.541 0.000 2.469 105 N HA 0.457 5.198 4.740 0.002 0.000 0.253 105 N C 0.018 175.305 175.510 -0.372 0.000 0.970 105 N CA -0.461 52.413 53.050 -0.293 0.000 0.940 105 N CB 0.902 39.335 38.487 -0.090 0.000 1.128 105 N HN 0.402 nan 8.380 nan 0.000 0.503 106 W N 0.509 121.885 121.300 0.125 0.000 3.220 106 W HA 0.038 4.699 4.660 0.002 0.000 0.328 106 W C 2.032 178.648 176.519 0.161 0.000 1.205 106 W CA -0.321 57.115 57.345 0.152 0.000 1.773 106 W CB 0.205 29.730 29.460 0.110 0.000 1.086 106 W HN 0.526 nan 8.180 nan 0.000 0.622 107 S N -0.452 115.426 115.700 0.297 0.000 2.399 107 S HA -0.109 4.362 4.470 0.002 0.000 0.231 107 S C 2.114 176.854 174.600 0.234 0.000 1.022 107 S CA 1.410 59.752 58.200 0.236 0.000 0.983 107 S CB -1.031 62.275 63.200 0.176 0.000 0.803 107 S HN 0.251 nan 8.310 nan 0.000 0.480 108 G N 1.335 110.285 108.800 0.250 0.000 2.450 108 G HA2 -0.134 3.828 3.960 0.002 0.000 0.220 108 G HA3 -0.134 3.828 3.960 0.002 0.000 0.220 108 G C 1.404 176.452 174.900 0.246 0.000 1.130 108 G CA 1.023 46.268 45.100 0.242 0.000 0.760 108 G HN 0.493 nan 8.290 nan 0.000 0.557 109 V N 0.279 120.389 119.914 0.327 0.000 2.358 109 V HA -0.139 3.982 4.120 0.002 0.000 0.246 109 V C 2.568 178.826 176.094 0.273 0.000 1.047 109 V CA 2.189 64.691 62.300 0.336 0.000 1.035 109 V CB -0.313 31.787 31.823 0.462 0.000 0.658 109 V HN 0.491 nan 8.190 nan 0.000 0.452 110 E N -0.308 120.038 120.200 0.244 0.000 2.106 110 E HA -0.178 4.173 4.350 0.002 0.000 0.192 110 E C 2.264 178.992 176.600 0.214 0.000 0.984 110 E CA 1.643 58.166 56.400 0.205 0.000 0.806 110 E CB -0.053 29.744 29.700 0.161 0.000 0.750 110 E HN 0.619 nan 8.360 nan 0.000 0.458 111 T N 0.440 115.108 114.554 0.189 0.000 2.708 111 T HA -0.158 4.194 4.350 0.002 0.000 0.266 111 T C 1.879 176.686 174.700 0.178 0.000 1.037 111 T CA 1.233 63.440 62.100 0.178 0.000 1.146 111 T CB -0.326 68.640 68.868 0.164 0.000 0.865 111 T HN 0.285 nan 8.240 nan 0.000 0.435 112 A N 1.323 124.171 122.820 0.046 0.000 1.865 112 A HA -0.151 4.170 4.320 0.002 0.000 0.217 112 A C 2.195 179.863 177.584 0.140 0.000 1.191 112 A CA 1.426 53.344 52.037 -0.198 0.000 0.623 112 A CB -1.173 17.405 19.000 -0.704 0.000 0.826 112 A HN 0.696 nan 8.150 nan 0.000 0.444 113 W N 0.771 122.108 121.300 0.061 0.000 2.342 113 W HA -0.165 4.496 4.660 0.002 0.000 0.297 113 W C 2.226 178.809 176.519 0.107 0.000 1.213 113 W CA 2.169 59.574 57.345 0.099 0.000 1.251 113 W CB -0.176 29.339 29.460 0.091 0.000 1.136 113 W HN 0.453 nan 8.180 nan 0.000 0.526 114 K N 0.170 120.758 120.400 0.313 0.000 2.057 114 K HA -0.172 4.149 4.320 0.002 0.000 0.207 114 K C 1.792 178.496 176.600 0.173 0.000 1.049 114 K CA 1.701 58.115 56.287 0.212 0.000 0.931 114 K CB -0.361 32.250 32.500 0.185 0.000 0.714 114 K HN -0.052 nan 8.250 nan 0.000 0.440 115 V N 1.971 122.050 119.914 0.275 0.000 2.343 115 V HA -0.302 3.819 4.120 0.002 0.000 0.247 115 V C 2.474 178.790 176.094 0.370 0.000 1.051 115 V CA 2.037 64.601 62.300 0.441 0.000 1.036 115 V CB -0.473 31.701 31.823 0.585 0.000 0.654 115 V HN 0.487 nan 8.190 nan 0.000 0.451 116 M N -0.081 119.603 119.600 0.140 0.000 2.065 116 M HA -0.257 4.224 4.480 0.002 0.000 0.259 116 M C 2.283 178.366 176.300 -0.362 0.000 1.071 116 M CA 2.161 57.217 55.300 -0.405 0.000 1.109 116 M CB -0.346 31.894 32.600 -0.600 0.000 1.313 116 M HN 0.368 nan 8.290 nan 0.000 0.408 117 E N -0.008 120.047 120.200 -0.242 0.000 2.160 117 E HA -0.220 4.131 4.350 0.002 0.000 0.195 117 E C 1.432 177.919 176.600 -0.188 0.000 0.991 117 E CA 1.384 57.686 56.400 -0.164 0.000 0.810 117 E CB -0.082 29.637 29.700 0.032 0.000 0.742 117 E HN 0.584 nan 8.360 nan 0.000 0.466 118 D N -1.394 118.871 120.400 -0.225 0.000 2.234 118 D HA -0.093 4.548 4.640 0.002 0.000 0.205 118 D C 1.090 176.922 176.300 -0.780 0.000 0.962 118 D CA 0.865 54.546 54.000 -0.532 0.000 0.855 118 D CB 0.031 40.447 40.800 -0.640 0.000 0.951 118 D HN 0.311 nan 8.370 nan 0.000 0.500 119 W N -0.648 120.587 121.300 -0.109 0.000 4.168 119 W HA 0.384 5.046 4.660 0.002 0.000 0.211 119 W C 1.878 178.296 176.519 -0.169 0.000 1.002 119 W CA -0.391 56.870 57.345 -0.140 0.000 1.903 119 W CB 0.096 29.518 29.460 -0.063 0.000 0.828 119 W HN -0.279 nan 8.180 nan 0.000 0.876 120 I N 0.547 121.064 120.570 -0.088 0.000 3.783 120 I HA 0.195 4.367 4.170 0.002 0.000 0.310 120 I C 0.084 176.169 176.117 -0.053 0.000 1.274 120 I CA 0.347 61.612 61.300 -0.059 0.000 1.294 120 I CB 0.404 38.139 38.000 -0.442 0.000 1.051 120 I HN -0.269 nan 8.210 nan 0.000 0.435 121 I N 3.451 123.891 120.570 -0.217 0.000 2.291 121 I HA 0.222 4.393 4.170 0.002 0.000 0.292 121 I C -2.185 173.794 176.117 -0.230 0.000 1.064 121 I CA -1.942 59.170 61.300 -0.314 0.000 1.269 121 I CB 0.478 38.154 38.000 -0.539 0.000 1.418 121 I HN -0.118 nan 8.210 nan 0.000 0.485 122 P HA -0.034 nan 4.420 nan 0.000 0.261 122 P C -0.919 176.253 177.300 -0.214 0.000 1.183 122 P CA -0.017 62.848 63.100 -0.393 0.000 0.761 122 P CB 0.217 31.387 31.700 -0.882 0.000 0.785 123 D N 0.715 121.027 120.400 -0.145 0.000 2.478 123 D HA 0.064 4.705 4.640 0.002 0.000 0.269 123 D C 1.013 177.254 176.300 -0.099 0.000 1.232 123 D CA -0.577 53.363 54.000 -0.100 0.000 1.059 123 D CB -0.291 40.456 40.800 -0.088 0.000 1.104 123 D HN 0.201 nan 8.370 nan 0.000 0.566 124 S N -1.259 114.403 115.700 -0.064 0.000 2.407 124 S HA -0.235 4.236 4.470 0.002 0.000 0.235 124 S C 1.807 176.352 174.600 -0.092 0.000 1.036 124 S CA 1.626 59.791 58.200 -0.057 0.000 1.013 124 S CB -1.088 62.095 63.200 -0.028 0.000 0.820 124 S HN 0.630 nan 8.310 nan 0.000 0.476 125 T N 1.729 116.224 114.554 -0.097 0.000 3.023 125 T HA 0.052 4.403 4.350 0.002 0.000 0.266 125 T C 1.194 175.797 174.700 -0.162 0.000 1.093 125 T CA 0.930 62.967 62.100 -0.105 0.000 1.129 125 T CB -0.190 68.632 68.868 -0.077 0.000 0.899 125 T HN 0.616 nan 8.240 nan 0.000 0.491 126 E N 0.434 120.511 120.200 -0.205 0.000 2.501 126 E HA 0.148 4.499 4.350 0.002 0.000 0.201 126 E C 0.414 176.640 176.600 -0.625 0.000 1.016 126 E CA 0.039 56.276 56.400 -0.271 0.000 0.920 126 E CB 0.486 30.117 29.700 -0.116 0.000 1.023 126 E HN 0.411 nan 8.360 nan 0.000 0.474 127 Q N 1.496 120.896 119.800 -0.667 0.000 2.318 127 Q HA 0.175 4.516 4.340 0.002 0.000 0.371 127 Q C -2.505 173.154 176.000 -0.569 0.000 0.896 127 Q CA -1.620 53.537 55.803 -1.076 0.000 1.134 127 Q CB 0.925 29.449 28.738 -0.357 0.000 1.329 127 Q HN 0.076 nan 8.270 nan 0.000 0.413 128 P HA 0.012 nan 4.420 nan 0.000 0.267 128 P C 0.837 178.253 177.300 0.194 0.000 1.205 128 P CA 1.128 64.180 63.100 -0.079 0.000 0.765 128 P CB 1.109 32.759 31.700 -0.083 0.000 0.828 129 G N 3.095 111.984 108.800 0.147 0.000 2.195 129 G HA2 -0.277 3.685 3.960 0.002 0.000 0.224 129 G HA3 -0.277 3.685 3.960 0.002 0.000 0.224 129 G C 1.008 176.042 174.900 0.224 0.000 0.990 129 G CA 0.106 45.299 45.100 0.154 0.000 0.639 129 G HN 0.363 nan 8.290 nan 0.000 0.514 130 M N 1.977 121.753 119.600 0.292 0.000 2.267 130 M HA -0.044 4.437 4.480 0.002 0.000 0.263 130 M C 2.704 179.170 176.300 0.277 0.000 1.063 130 M CA 2.221 57.712 55.300 0.319 0.000 1.090 130 M CB -1.058 31.733 32.600 0.317 0.000 1.392 130 M HN 0.806 nan 8.290 nan 0.000 0.422 131 S N -1.670 114.158 115.700 0.215 0.000 2.515 131 S HA -0.007 4.465 4.470 0.002 0.000 0.231 131 S C 1.790 176.507 174.600 0.195 0.000 0.987 131 S CA 1.049 59.370 58.200 0.202 0.000 0.936 131 S CB -0.273 63.012 63.200 0.141 0.000 0.766 131 S HN 0.350 nan 8.310 nan 0.000 0.528 132 S N 0.435 116.251 115.700 0.194 0.000 2.603 132 S HA 0.221 4.692 4.470 0.002 0.000 0.220 132 S C 0.142 174.854 174.600 0.186 0.000 0.967 132 S CA -0.505 57.800 58.200 0.174 0.000 0.920 132 S CB -0.481 62.826 63.200 0.178 0.000 0.773 132 S HN 0.736 nan 8.310 nan 0.000 0.529 133 Y N 3.523 123.873 120.300 0.083 0.000 2.712 133 Y HA 0.159 4.710 4.550 0.002 0.000 0.333 133 Y C 0.180 176.052 175.900 -0.047 0.000 1.225 133 Y CA -0.333 57.769 58.100 0.002 0.000 1.499 133 Y CB 0.207 38.586 38.460 -0.136 0.000 1.288 133 Y HN -0.006 nan 8.280 nan 0.000 0.575 134 N N 7.959 126.201 118.700 -0.764 0.000 2.558 134 N HA 0.335 5.076 4.740 0.002 0.000 0.242 134 N C -2.425 172.556 175.510 -0.882 0.000 0.979 134 N CA -2.654 50.048 53.050 -0.580 0.000 0.931 134 N CB 1.625 39.950 38.487 -0.271 0.000 1.122 134 N HN 0.324 nan 8.380 nan 0.000 0.508 135 P HA -0.028 nan 4.420 nan 0.000 0.223 135 P C 0.338 177.407 177.300 -0.386 0.000 1.144 135 P CA 0.958 63.769 63.100 -0.483 0.000 0.783 135 P CB 0.343 31.937 31.700 -0.177 0.000 0.771 136 N N -1.796 116.723 118.700 -0.301 0.000 2.336 136 N HA 0.043 4.784 4.740 0.002 0.000 0.189 136 N C 0.254 175.658 175.510 -0.178 0.000 1.113 136 N CA 0.588 53.513 53.050 -0.208 0.000 0.858 136 N CB 0.320 38.723 38.487 -0.140 0.000 0.970 136 N HN -0.037 nan 8.380 nan 0.000 0.471 137 S N 0.593 116.162 115.700 -0.218 0.000 2.606 137 S HA 0.308 4.780 4.470 0.002 0.000 0.156 137 S C -2.205 172.334 174.600 -0.102 0.000 1.308 137 S CA -0.944 57.185 58.200 -0.118 0.000 1.228 137 S CB 0.615 63.772 63.200 -0.072 0.000 1.568 137 S HN -0.092 nan 8.310 nan 0.000 0.397 138 P HA 0.285 nan 4.420 nan 0.000 0.218 138 P C 0.360 177.889 177.300 0.382 0.000 1.152 138 P CA 0.703 63.838 63.100 0.059 0.000 0.826 138 P CB 0.283 32.054 31.700 0.120 0.000 0.790 139 A N -2.323 120.708 122.820 0.352 0.000 2.568 139 A HA 0.659 4.980 4.320 0.002 0.000 0.291 139 A C -1.104 176.573 177.584 0.155 0.000 1.159 139 A CA -0.349 51.903 52.037 0.358 0.000 0.679 139 A CB 0.547 19.855 19.000 0.514 0.000 1.285 139 A HN -0.171 nan 8.150 nan 0.000 0.428 140 T N 0.866 115.402 114.554 -0.031 0.000 2.797 140 T HA 0.478 4.830 4.350 0.002 0.000 0.279 140 T C -0.686 173.776 174.700 -0.396 0.000 0.991 140 T CA 0.078 62.021 62.100 -0.262 0.000 0.979 140 T CB 0.538 69.054 68.868 -0.586 0.000 0.943 140 T HN 0.509 nan 8.240 nan 0.000 0.444 141 Y N 2.932 122.850 120.300 -0.637 0.000 2.712 141 Y HA 0.368 4.920 4.550 0.002 0.000 0.333 141 Y C -0.004 175.552 175.900 -0.573 0.000 1.225 141 Y CA -0.185 57.336 58.100 -0.965 0.000 1.499 141 Y CB 0.114 38.172 38.460 -0.671 0.000 1.288 141 Y HN 0.758 nan 8.280 nan 0.000 0.575 142 A N 5.345 127.222 122.820 -1.572 0.000 2.549 142 A HA 0.406 4.727 4.320 0.002 0.000 0.297 142 A C -1.261 175.625 177.584 -1.164 0.000 1.061 142 A CA -1.045 50.348 52.037 -1.074 0.000 0.690 142 A CB 0.897 19.640 19.000 -0.429 0.000 1.287 142 A HN 0.696 nan 8.150 nan 0.000 0.402 143 D N 1.557 121.528 120.400 -0.715 0.000 2.400 143 D HA 0.267 4.908 4.640 0.002 0.000 0.238 143 D C 0.137 176.020 176.300 -0.695 0.000 1.157 143 D CA 0.725 54.354 54.000 -0.619 0.000 0.889 143 D CB 0.740 41.010 40.800 -0.884 0.000 1.199 143 D HN 0.552 nan 8.370 nan 0.000 0.436 144 E N 0.438 120.301 120.200 -0.561 0.000 2.222 144 E HA 0.466 4.818 4.350 0.002 0.000 0.272 144 E C -0.754 175.455 176.600 -0.651 0.000 0.982 144 E CA -0.649 55.519 56.400 -0.387 0.000 0.842 144 E CB 1.379 31.007 29.700 -0.120 0.000 1.144 144 E HN 0.367 nan 8.360 nan 0.000 0.397 145 Y N -0.054 120.151 120.300 -0.159 0.000 2.576 145 Y HA 0.137 4.688 4.550 0.002 0.000 0.346 145 Y C 0.684 176.457 175.900 -0.212 0.000 1.018 145 Y CA -0.829 57.019 58.100 -0.419 0.000 1.050 145 Y CB 1.645 39.615 38.460 -0.816 0.000 1.280 145 Y HN 0.469 nan 8.280 nan 0.000 0.474 146 E N 0.339 120.452 120.200 -0.145 0.000 2.409 146 E HA -0.052 4.299 4.350 0.002 0.000 0.198 146 E C -0.748 175.942 176.600 0.151 0.000 1.024 146 E CA 0.901 57.304 56.400 0.004 0.000 0.861 146 E CB 0.174 29.892 29.700 0.031 0.000 0.788 146 E HN 0.448 nan 8.360 nan 0.000 0.521 147 D N -2.786 117.791 120.400 0.295 0.000 2.837 147 D HA 0.161 4.802 4.640 0.002 0.000 0.220 147 D C -2.334 174.182 176.300 0.360 0.000 1.236 147 D CA -1.886 52.295 54.000 0.301 0.000 0.838 147 D CB 1.582 42.549 40.800 0.278 0.000 1.647 147 D HN -0.352 nan 8.370 nan 0.000 0.486 148 P HA -0.120 nan 4.420 nan 0.000 0.219 148 P C 1.068 178.316 177.300 -0.086 0.000 1.146 148 P CA 1.080 64.282 63.100 0.170 0.000 0.808 148 P CB 0.093 31.859 31.700 0.110 0.000 0.779 149 S N -2.528 112.902 115.700 -0.451 0.000 2.474 149 S HA -0.172 4.299 4.470 0.002 0.000 0.235 149 S C 1.713 175.987 174.600 -0.543 0.000 0.997 149 S CA 0.734 58.235 58.200 -1.165 0.000 0.949 149 S CB -1.528 61.214 63.200 -0.763 0.000 0.766 149 S HN 0.148 nan 8.310 nan 0.000 0.517 150 Y N 0.505 120.633 120.300 -0.287 0.000 2.439 150 Y HA 0.234 4.785 4.550 0.002 0.000 0.292 150 Y C 0.664 176.363 175.900 -0.334 0.000 1.130 150 Y CA -0.004 57.851 58.100 -0.408 0.000 1.254 150 Y CB -0.316 37.698 38.460 -0.742 0.000 1.000 150 Y HN 0.245 nan 8.280 nan 0.000 0.554 151 Y N 1.642 121.985 120.300 0.072 0.000 2.301 151 Y HA 0.218 4.770 4.550 0.002 0.000 0.328 151 Y C -1.768 174.221 175.900 0.150 0.000 1.242 151 Y CA -3.129 55.069 58.100 0.163 0.000 1.323 151 Y CB -0.132 38.466 38.460 0.231 0.000 1.266 151 Y HN -0.136 nan 8.280 nan 0.000 0.527 152 P HA 0.031 nan 4.420 nan 0.000 0.274 152 P C -0.734 176.683 177.300 0.194 0.000 1.231 152 P CA -0.355 62.920 63.100 0.292 0.000 0.790 152 P CB 1.383 33.196 31.700 0.188 0.000 0.951 153 S N 0.603 116.439 115.700 0.226 0.000 2.480 153 S HA 0.152 4.623 4.470 0.002 0.000 0.286 153 S C -0.149 174.514 174.600 0.104 0.000 1.180 153 S CA -0.641 57.646 58.200 0.145 0.000 1.075 153 S CB 0.087 63.318 63.200 0.052 0.000 0.996 153 S HN 0.482 nan 8.310 nan 0.000 0.487 154 E N 4.702 124.952 120.200 0.084 0.000 2.316 154 E HA 0.226 4.577 4.350 0.002 0.000 0.275 154 E C -0.600 175.964 176.600 -0.059 0.000 1.029 154 E CA -0.473 55.954 56.400 0.045 0.000 0.871 154 E CB 0.482 30.225 29.700 0.071 0.000 1.022 154 E HN 0.638 nan 8.360 nan 0.000 0.418 155 L N 4.883 126.028 121.223 -0.130 0.000 2.455 155 L HA 0.089 4.430 4.340 0.002 0.000 0.272 155 L C 0.490 177.181 176.870 -0.299 0.000 1.174 155 L CA 0.220 54.840 54.840 -0.366 0.000 0.869 155 L CB 0.326 41.984 42.059 -0.668 0.000 1.130 155 L HN 0.388 nan 8.230 nan 0.000 0.474 156 K N 4.634 124.866 120.400 -0.280 0.000 2.360 156 K HA 0.188 4.510 4.320 0.002 0.000 0.235 156 K C 0.470 176.995 176.600 -0.126 0.000 1.077 156 K CA -0.154 56.082 56.287 -0.085 0.000 1.035 156 K CB 0.533 33.073 32.500 0.066 0.000 1.623 156 K HN 0.429 nan 8.250 nan 0.000 0.462 157 F N 0.780 120.703 119.950 -0.044 0.000 2.113 157 F HA -0.172 4.356 4.527 0.002 0.000 0.297 157 F C 1.489 177.257 175.800 -0.054 0.000 1.103 157 F CA 1.443 59.406 58.000 -0.062 0.000 1.248 157 F CB 0.359 39.311 39.000 -0.080 0.000 0.999 157 F HN 0.353 nan 8.300 nan 0.000 0.475 158 D N -2.247 118.241 120.400 0.148 0.000 2.407 158 D HA 0.048 4.689 4.640 0.002 0.000 0.208 158 D C 1.651 177.961 176.300 0.016 0.000 1.083 158 D CA 0.610 54.649 54.000 0.065 0.000 0.844 158 D CB 0.276 41.103 40.800 0.046 0.000 0.967 158 D HN 0.171 nan 8.370 nan 0.000 0.506 159 T N 0.000 114.558 114.554 0.005 0.000 2.990 159 T HA 0.160 4.511 4.350 0.002 0.000 0.250 159 T C 0.417 175.073 174.700 -0.073 0.000 1.041 159 T CA 0.246 62.332 62.100 -0.024 0.000 1.010 159 T CB 1.127 69.992 68.868 -0.004 0.000 1.003 159 T HN -0.171 nan 8.240 nan 0.000 0.499 160 V N 2.294 122.151 119.914 -0.095 0.000 2.447 160 V HA 0.461 4.582 4.120 0.002 0.000 0.292 160 V C -0.231 175.776 176.094 -0.145 0.000 1.021 160 V CA -1.225 60.965 62.300 -0.184 0.000 0.850 160 V CB 1.777 33.391 31.823 -0.348 0.000 1.005 160 V HN 0.141 nan 8.190 nan 0.000 0.426 161 R N 3.130 123.551 120.500 -0.132 0.000 2.441 161 R HA 0.681 5.022 4.340 0.002 0.000 0.284 161 R C -0.939 175.301 176.300 -0.100 0.000 1.070 161 R CA -0.165 55.879 56.100 -0.094 0.000 1.047 161 R CB 1.490 31.745 30.300 -0.074 0.000 1.016 161 R HN 0.513 nan 8.270 nan 0.000 0.477 162 V N 2.991 122.881 119.914 -0.040 0.000 2.881 162 V HA 0.497 4.618 4.120 0.002 0.000 0.316 162 V C 0.818 176.942 176.094 0.050 0.000 1.070 162 V CA -0.251 62.070 62.300 0.035 0.000 0.976 162 V CB 1.887 33.769 31.823 0.098 0.000 1.038 162 V HN 1.043 nan 8.190 nan 0.000 0.446 163 G N 2.012 110.890 108.800 0.130 0.000 2.525 163 G HA2 0.390 4.351 3.960 0.002 0.000 0.276 163 G HA3 0.390 4.351 3.960 0.002 0.000 0.276 163 G C -0.200 174.679 174.900 -0.034 0.000 1.388 163 G CA -0.238 44.917 45.100 0.092 0.000 1.050 163 G HN 0.675 nan 8.290 nan 0.000 0.520 164 S N -0.537 115.077 115.700 -0.144 0.000 2.549 164 S HA 0.367 4.839 4.470 0.002 0.000 0.297 164 S C -0.837 173.321 174.600 -0.736 0.000 1.115 164 S CA -0.454 57.524 58.200 -0.369 0.000 1.059 164 S CB 1.751 64.815 63.200 -0.227 0.000 1.046 164 S HN 0.614 nan 8.310 nan 0.000 0.506 165 D N 2.507 122.344 120.400 -0.939 0.000 2.396 165 D HA 0.305 4.946 4.640 0.002 0.000 0.225 165 D C -1.717 174.257 176.300 -0.543 0.000 1.121 165 D CA -2.062 51.285 54.000 -1.089 0.000 0.853 165 D CB 1.251 41.494 40.800 -0.928 0.000 1.043 165 D HN 0.146 nan 8.370 nan 0.000 0.500 166 P HA 0.066 nan 4.420 nan 0.000 0.262 166 P C 0.696 177.824 177.300 -0.287 0.000 1.304 166 P CA -0.024 62.836 63.100 -0.400 0.000 0.859 166 P CB 0.921 32.271 31.700 -0.583 0.000 1.310 167 V N -1.495 118.249 119.914 -0.283 0.000 3.612 167 V HA 0.018 4.139 4.120 0.002 0.000 0.268 167 V C 2.270 178.324 176.094 -0.067 0.000 1.365 167 V CA 0.403 62.631 62.300 -0.119 0.000 1.044 167 V CB -0.477 31.285 31.823 -0.100 0.000 0.820 167 V HN 0.083 nan 8.190 nan 0.000 0.444 168 H N 1.854 120.846 119.070 -0.128 0.000 2.253 168 H HA -0.145 4.412 4.556 0.002 0.000 0.296 168 H C 2.165 177.477 175.328 -0.027 0.000 1.074 168 H CA 2.680 58.694 56.048 -0.058 0.000 1.263 168 H CB 0.150 29.956 29.762 0.073 0.000 1.363 168 H HN 0.375 nan 8.280 nan 0.000 0.489 169 N N 0.348 119.045 118.700 -0.005 0.000 2.188 169 N HA -0.144 4.597 4.740 0.002 0.000 0.184 169 N C 1.643 177.095 175.510 -0.097 0.000 1.018 169 N CA 1.301 54.318 53.050 -0.055 0.000 0.858 169 N CB -0.659 37.843 38.487 0.025 0.000 0.989 169 N HN 0.512 nan 8.380 nan 0.000 0.426 170 D N 0.915 121.272 120.400 -0.072 0.000 2.133 170 D HA -0.136 4.505 4.640 0.002 0.000 0.192 170 D C 1.978 178.195 176.300 -0.139 0.000 1.001 170 D CA 1.031 54.985 54.000 -0.076 0.000 0.844 170 D CB -0.124 40.663 40.800 -0.022 0.000 0.944 170 D HN 0.186 nan 8.370 nan 0.000 0.447 171 L N -0.656 120.457 121.223 -0.184 0.000 2.027 171 L HA -0.114 4.227 4.340 0.002 0.000 0.206 171 L C 2.687 179.467 176.870 -0.150 0.000 1.074 171 L CA 0.516 55.226 54.840 -0.217 0.000 0.745 171 L CB -0.504 41.304 42.059 -0.419 0.000 0.898 171 L HN 0.004 nan 8.230 nan 0.000 0.433 172 V N 0.082 119.861 119.914 -0.224 0.000 2.282 172 V HA -0.349 3.773 4.120 0.002 0.000 0.249 172 V C 2.793 178.831 176.094 -0.095 0.000 1.057 172 V CA 2.251 64.467 62.300 -0.140 0.000 1.032 172 V CB -0.736 30.984 31.823 -0.171 0.000 0.645 172 V HN 0.691 nan 8.190 nan 0.000 0.447 173 S N 0.418 116.044 115.700 -0.124 0.000 2.423 173 S HA -0.084 4.388 4.470 0.002 0.000 0.231 173 S C 1.892 176.377 174.600 -0.192 0.000 1.014 173 S CA 1.396 59.524 58.200 -0.120 0.000 0.965 173 S CB -0.246 62.893 63.200 -0.101 0.000 0.785 173 S HN 0.592 nan 8.310 nan 0.000 0.495 174 A N -0.340 122.281 122.820 -0.331 0.000 1.984 174 A HA 0.381 4.703 4.320 0.002 0.000 0.214 174 A C 1.235 178.435 177.584 -0.641 0.000 1.173 174 A CA 0.478 52.144 52.037 -0.618 0.000 0.673 174 A CB -0.242 18.146 19.000 -1.020 0.000 0.830 174 A HN 0.681 nan 8.150 nan 0.000 0.453 175 Y N -1.560 118.725 120.300 -0.024 0.000 2.666 175 Y HA 0.456 5.007 4.550 0.002 0.000 0.260 175 Y C 1.194 177.119 175.900 0.042 0.000 1.089 175 Y CA -0.353 57.766 58.100 0.032 0.000 1.246 175 Y CB 0.147 38.699 38.460 0.153 0.000 1.353 175 Y HN 0.507 nan 8.280 nan 0.000 0.558 176 G N 1.729 110.606 108.800 0.128 0.000 2.660 176 G HA2 -0.198 3.763 3.960 0.002 0.000 0.247 176 G HA3 -0.198 3.763 3.960 0.002 0.000 0.247 176 G C -2.015 172.950 174.900 0.109 0.000 1.328 176 G CA -0.391 44.768 45.100 0.099 0.000 0.884 176 G HN -0.009 nan 8.290 nan 0.000 0.531 177 P HA 0.036 nan 4.420 nan 0.000 0.229 177 P C 0.352 177.741 177.300 0.148 0.000 1.160 177 P CA 0.817 63.996 63.100 0.132 0.000 0.777 177 P CB -0.014 31.767 31.700 0.135 0.000 0.814 178 N N 0.173 118.948 118.700 0.124 0.000 2.489 178 N HA 0.235 4.976 4.740 0.002 0.000 0.284 178 N C 0.407 175.918 175.510 0.002 0.000 1.158 178 N CA -0.517 52.579 53.050 0.077 0.000 0.965 178 N CB 0.663 39.170 38.487 0.034 0.000 1.195 178 N HN -0.100 nan 8.380 nan 0.000 0.506 179 M N 1.375 120.868 119.600 -0.179 0.000 2.185 179 M HA 0.089 4.570 4.480 0.002 0.000 0.357 179 M C -0.586 175.291 176.300 -0.705 0.000 1.260 179 M CA -0.162 54.806 55.300 -0.553 0.000 1.124 179 M CB -0.161 31.770 32.600 -1.114 0.000 1.600 179 M HN 0.485 nan 8.290 nan 0.000 0.467 180 Y N 4.944 124.284 120.300 -1.599 0.000 2.854 180 Y HA 0.607 5.158 4.550 0.002 0.000 0.330 180 Y C -1.444 174.052 175.900 -0.674 0.000 1.037 180 Y CA -0.298 57.156 58.100 -1.077 0.000 1.263 180 Y CB 0.417 38.182 38.460 -1.158 0.000 1.120 180 Y HN 0.595 nan 8.280 nan 0.000 0.532 181 L N 4.332 125.202 121.223 -0.588 0.000 2.540 181 L HA 0.470 4.811 4.340 0.002 0.000 0.256 181 L C -0.892 175.856 176.870 -0.203 0.000 1.001 181 L CA -1.143 53.519 54.840 -0.296 0.000 0.843 181 L CB 2.549 44.518 42.059 -0.151 0.000 1.436 181 L HN 0.371 nan 8.230 nan 0.000 0.410 182 M N 0.864 120.386 119.600 -0.130 0.000 2.235 182 M HA 0.275 4.756 4.480 0.002 0.000 0.351 182 M C -0.305 176.055 176.300 0.102 0.000 1.178 182 M CA -0.455 54.790 55.300 -0.091 0.000 1.143 182 M CB 0.754 33.273 32.600 -0.133 0.000 1.530 182 M HN 0.417 nan 8.290 nan 0.000 0.461 183 H N 3.245 122.287 119.070 -0.046 0.000 2.707 183 H HA -0.003 4.555 4.556 0.002 0.000 0.359 183 H C 0.454 175.890 175.328 0.180 0.000 1.113 183 H CA 0.101 56.170 56.048 0.036 0.000 1.422 183 H CB 0.667 30.297 29.762 -0.220 0.000 1.443 183 H HN 0.738 nan 8.280 nan 0.000 0.591 184 W N 5.162 126.128 121.300 -0.556 0.000 2.584 184 W HA 0.115 4.776 4.660 0.002 0.000 0.264 184 W C -1.149 175.276 176.519 -0.157 0.000 1.264 184 W CA -0.168 57.021 57.345 -0.261 0.000 1.306 184 W CB -0.210 29.142 29.460 -0.180 0.000 1.110 184 W HN 0.353 nan 8.180 nan 0.000 0.606 185 L N 1.646 122.227 121.223 -1.069 0.000 2.436 185 L HA 0.585 4.926 4.340 0.002 0.000 0.268 185 L C -0.973 175.809 176.870 -0.147 0.000 0.974 185 L CA -1.024 53.285 54.840 -0.885 0.000 0.826 185 L CB 2.096 43.153 42.059 -1.669 0.000 1.291 185 L HN -0.007 nan 8.230 nan 0.000 0.406 186 M N 3.526 123.092 119.600 -0.056 0.000 2.324 186 M HA 0.358 4.840 4.480 0.002 0.000 0.288 186 M C -1.648 174.680 176.300 0.047 0.000 1.097 186 M CA -0.606 54.726 55.300 0.053 0.000 0.928 186 M CB 1.901 34.527 32.600 0.043 0.000 1.648 186 M HN 0.645 nan 8.290 nan 0.000 0.460 187 D N 4.032 124.483 120.400 0.086 0.000 2.453 187 D HA 0.194 4.835 4.640 0.002 0.000 0.223 187 D C 0.865 177.221 176.300 0.093 0.000 1.183 187 D CA -0.065 54.028 54.000 0.154 0.000 0.933 187 D CB 0.780 41.718 40.800 0.231 0.000 1.038 187 D HN 0.452 nan 8.370 nan 0.000 0.513 188 V N 3.054 123.023 119.914 0.092 0.000 2.287 188 V HA -0.187 3.934 4.120 0.002 0.000 0.248 188 V C 1.203 177.293 176.094 -0.008 0.000 1.053 188 V CA 1.657 63.953 62.300 -0.006 0.000 1.027 188 V CB -0.138 31.698 31.823 0.023 0.000 0.646 188 V HN 0.545 nan 8.190 nan 0.000 0.447 189 D N -0.690 119.771 120.400 0.102 0.000 2.501 189 D HA 0.143 4.784 4.640 0.002 0.000 0.226 189 D C 0.493 176.843 176.300 0.085 0.000 1.198 189 D CA -0.037 54.013 54.000 0.083 0.000 0.830 189 D CB -0.089 40.790 40.800 0.132 0.000 1.014 189 D HN 0.420 nan 8.370 nan 0.000 0.496 190 N N 0.056 118.806 118.700 0.082 0.000 2.754 190 N HA -0.235 4.506 4.740 0.002 0.000 0.248 190 N C 0.494 175.999 175.510 -0.007 0.000 1.093 190 N CA 0.279 53.358 53.050 0.049 0.000 0.699 190 N CB -1.590 36.910 38.487 0.021 0.000 1.016 190 N HN 0.424 nan 8.380 nan 0.000 0.552 191 W N -0.073 121.084 121.300 -0.239 0.000 2.350 191 W HA -0.094 4.567 4.660 0.002 0.000 0.289 191 W C 1.460 177.599 176.519 -0.633 0.000 1.215 191 W CA 1.569 58.617 57.345 -0.494 0.000 1.236 191 W CB -0.528 28.411 29.460 -0.869 0.000 1.130 191 W HN 0.439 nan 8.180 nan 0.000 0.541 192 Y N -0.144 119.894 120.300 -0.437 0.000 2.395 192 Y HA 0.127 4.678 4.550 0.002 0.000 0.293 192 Y C 2.418 177.751 175.900 -0.945 0.000 1.123 192 Y CA 1.705 59.333 58.100 -0.786 0.000 1.227 192 Y CB -0.531 37.536 38.460 -0.655 0.000 1.012 192 Y HN 0.093 nan 8.280 nan 0.000 0.552 193 G N -1.643 106.859 108.800 -0.497 0.000 2.157 193 G HA2 -0.303 3.658 3.960 0.002 0.000 0.248 193 G HA3 -0.303 3.658 3.960 0.002 0.000 0.248 193 G C 0.776 175.420 174.900 -0.426 0.000 0.979 193 G CA 0.325 45.151 45.100 -0.457 0.000 0.650 193 G HN 0.312 nan 8.290 nan 0.000 0.529 194 F N 1.329 121.201 119.950 -0.130 0.000 2.325 194 F HA 0.288 4.816 4.527 0.002 0.000 0.299 194 F C 2.270 178.172 175.800 0.170 0.000 1.090 194 F CA 0.953 58.946 58.000 -0.011 0.000 1.392 194 F CB -0.519 38.517 39.000 0.060 0.000 1.053 194 F HN 0.377 nan 8.300 nan 0.000 0.521 195 G N -0.729 108.227 108.800 0.260 0.000 2.532 195 G HA2 0.447 4.408 3.960 0.002 0.000 0.291 195 G HA3 0.447 4.408 3.960 0.002 0.000 0.291 195 G C -0.527 174.471 174.900 0.162 0.000 1.349 195 G CA -0.302 44.923 45.100 0.209 0.000 1.038 195 G HN 0.106 nan 8.290 nan 0.000 0.518 196 T N -2.282 112.349 114.554 0.129 0.000 2.882 196 T HA 0.533 4.884 4.350 0.002 0.000 0.287 196 T C 1.350 176.091 174.700 0.067 0.000 0.992 196 T CA 0.621 62.781 62.100 0.101 0.000 1.076 196 T CB 1.067 69.990 68.868 0.091 0.000 0.961 196 T HN 2.120 nan 8.240 nan 0.000 0.490 197 G N 2.271 111.101 108.800 0.049 0.000 2.686 197 G HA2 -0.349 3.612 3.960 0.002 0.000 0.329 197 G HA3 -0.349 3.612 3.960 0.002 0.000 0.329 197 G C 0.734 175.645 174.900 0.020 0.000 1.187 197 G CA 0.732 45.850 45.100 0.031 0.000 0.965 197 G HN 1.163 nan 8.290 nan 0.000 0.549 198 T N 1.305 115.873 114.554 0.024 0.000 3.144 198 T HA 0.557 4.908 4.350 0.002 0.000 0.290 198 T C 1.047 175.752 174.700 0.008 0.000 0.966 198 T CA 1.581 63.691 62.100 0.016 0.000 0.907 198 T CB -0.063 68.814 68.868 0.015 0.000 1.152 198 T HN 1.127 nan 8.240 nan 0.000 0.532 199 R N 1.306 121.820 120.500 0.023 0.000 2.449 199 R HA 0.782 5.123 4.340 0.002 0.000 0.296 199 R C 0.599 176.892 176.300 -0.011 0.000 1.047 199 R CA 0.281 56.393 56.100 0.020 0.000 1.018 199 R CB -0.947 29.399 30.300 0.076 0.000 0.962 199 R HN 0.516 nan 8.270 nan 0.000 0.428 200 A N 2.685 125.441 122.820 -0.107 0.000 2.591 200 A HA 0.381 4.702 4.320 0.002 0.000 0.244 200 A C 0.278 177.810 177.584 -0.087 0.000 1.031 200 A CA 1.043 52.993 52.037 -0.145 0.000 0.767 200 A CB -0.067 18.723 19.000 -0.351 0.000 0.942 200 A HN 0.890 nan 8.150 nan 0.000 0.514 201 T N 3.142 117.652 114.554 -0.073 0.000 2.928 201 T HA 0.456 4.807 4.350 0.002 0.000 0.296 201 T C -0.388 174.300 174.700 -0.020 0.000 1.000 201 T CA -0.212 61.870 62.100 -0.030 0.000 0.989 201 T CB 0.548 69.484 68.868 0.114 0.000 1.005 201 T HN 0.380 nan 8.240 nan 0.000 0.442 202 F N 4.055 124.069 119.950 0.107 0.000 2.578 202 F HA 0.366 4.894 4.527 0.002 0.000 0.381 202 F C 0.907 176.718 175.800 0.018 0.000 1.069 202 F CA -0.375 57.668 58.000 0.070 0.000 1.231 202 F CB 0.162 39.173 39.000 0.018 0.000 1.086 202 F HN 0.450 nan 8.300 nan 0.000 0.564 203 I N 0.285 120.986 120.570 0.219 0.000 3.239 203 I HA 0.697 4.868 4.170 0.002 0.000 0.314 203 I C -1.062 175.053 176.117 -0.003 0.000 1.126 203 I CA -1.032 60.266 61.300 -0.004 0.000 0.973 203 I CB 2.363 40.339 38.000 -0.040 0.000 1.252 203 I HN 0.400 nan 8.210 nan 0.000 0.463 204 N N -0.517 117.974 118.700 -0.348 0.000 2.525 204 N HA 0.651 5.393 4.740 0.002 0.000 0.270 204 N C -0.417 174.759 175.510 -0.556 0.000 1.321 204 N CA 0.168 53.069 53.050 -0.249 0.000 0.797 204 N CB 2.434 40.871 38.487 -0.083 0.000 1.529 204 N HN 0.963 nan 8.380 nan 0.000 0.491 205 T N -2.464 112.029 114.554 -0.101 0.000 3.425 205 T HA 0.373 4.724 4.350 0.002 0.000 0.225 205 T C 0.319 174.963 174.700 -0.093 0.000 0.992 205 T CA -0.056 61.944 62.100 -0.165 0.000 1.174 205 T CB -0.616 68.068 68.868 -0.307 0.000 1.240 205 T HN 0.199 nan 8.240 nan 0.000 0.350 206 F N 3.335 123.343 119.950 0.097 0.000 2.602 206 F HA 0.350 4.878 4.527 0.002 0.000 0.385 206 F C 1.711 177.456 175.800 -0.093 0.000 1.063 206 F CA 0.193 58.210 58.000 0.029 0.000 1.233 206 F CB 0.421 39.472 39.000 0.084 0.000 1.067 206 F HN 0.286 nan 8.300 nan 0.000 0.564 207 Q N 2.020 121.786 119.800 -0.056 0.000 1.985 207 Q HA 0.127 4.468 4.340 0.002 0.000 0.221 207 Q C 0.534 176.333 176.000 -0.336 0.000 0.728 207 Q CA 0.086 55.713 55.803 -0.292 0.000 0.882 207 Q CB 0.694 28.875 28.738 -0.930 0.000 1.203 207 Q HN 0.656 nan 8.270 nan 0.000 0.441 208 R N 1.135 121.421 120.500 -0.356 0.000 2.865 208 R HA 0.439 4.780 4.340 0.002 0.000 0.370 208 R C 0.351 176.370 176.300 -0.469 0.000 1.168 208 R CA 0.418 55.942 56.100 -0.959 0.000 1.058 208 R CB 0.965 30.906 30.300 -0.598 0.000 1.419 208 R HN 0.255 nan 8.270 nan 0.000 0.580 209 G N 1.924 110.631 108.800 -0.156 0.000 2.698 209 G HA2 -0.380 3.581 3.960 0.002 0.000 0.233 209 G HA3 -0.380 3.581 3.960 0.002 0.000 0.233 209 G C 0.650 175.536 174.900 -0.022 0.000 1.352 209 G CA 0.210 45.307 45.100 -0.005 0.000 0.879 209 G HN 0.560 nan 8.290 nan 0.000 0.567 210 E N -0.914 119.219 120.200 -0.112 0.000 2.274 210 E HA -0.025 4.327 4.350 0.002 0.000 0.194 210 E C 1.618 178.258 176.600 0.067 0.000 0.996 210 E CA 1.401 57.691 56.400 -0.183 0.000 0.840 210 E CB 0.022 29.552 29.700 -0.284 0.000 0.772 210 E HN 0.405 nan 8.360 nan 0.000 0.491 211 Q N 0.805 120.671 119.800 0.109 0.000 2.204 211 Q HA 0.119 4.460 4.340 0.002 0.000 0.209 211 Q C -0.450 175.668 176.000 0.195 0.000 0.861 211 Q CA 0.112 56.003 55.803 0.147 0.000 0.971 211 Q CB 0.806 29.615 28.738 0.117 0.000 1.095 211 Q HN 0.398 nan 8.270 nan 0.000 0.486 212 E N 1.955 122.305 120.200 0.251 0.000 1.936 212 E HA 0.139 4.490 4.350 0.002 0.000 0.267 212 E C -0.168 176.632 176.600 0.332 0.000 1.076 212 E CA -0.201 56.359 56.400 0.266 0.000 0.870 212 E CB 0.537 30.380 29.700 0.239 0.000 1.093 212 E HN 0.137 nan 8.360 nan 0.000 0.411 213 S N 2.472 118.337 115.700 0.275 0.000 2.617 213 S HA 0.022 4.493 4.470 0.002 0.000 0.255 213 S C 1.243 176.001 174.600 0.263 0.000 1.318 213 S CA -0.107 58.257 58.200 0.274 0.000 0.978 213 S CB 1.036 64.426 63.200 0.317 0.000 0.961 213 S HN 0.454 nan 8.310 nan 0.000 0.582 214 T N 0.162 114.811 114.554 0.157 0.000 2.929 214 T HA -0.076 4.275 4.350 0.002 0.000 0.271 214 T C 0.818 175.395 174.700 -0.206 0.000 1.085 214 T CA 1.541 63.553 62.100 -0.147 0.000 1.125 214 T CB -0.479 68.210 68.868 -0.299 0.000 0.874 214 T HN 0.731 nan 8.240 nan 0.000 0.494 215 W N 1.524 122.856 121.300 0.053 0.000 3.139 215 W HA 0.235 4.896 4.660 0.002 0.000 0.260 215 W C 1.658 178.306 176.519 0.215 0.000 1.312 215 W CA -0.202 57.196 57.345 0.088 0.000 1.606 215 W CB 0.086 29.480 29.460 -0.109 0.000 1.118 215 W HN 0.297 nan 8.180 nan 0.000 0.675 216 E N -0.410 119.975 120.200 0.308 0.000 2.603 216 E HA 0.045 4.396 4.350 0.002 0.000 0.211 216 E C 0.762 177.462 176.600 0.166 0.000 0.995 216 E CA 0.022 56.572 56.400 0.250 0.000 0.990 216 E CB 0.350 30.193 29.700 0.238 0.000 1.036 216 E HN -0.016 nan 8.360 nan 0.000 0.475 217 T N -1.302 113.300 114.554 0.081 0.000 2.881 217 T HA 0.543 4.894 4.350 0.002 0.000 0.278 217 T C 0.259 174.999 174.700 0.067 0.000 0.982 217 T CA -0.616 61.492 62.100 0.014 0.000 0.989 217 T CB 1.338 70.079 68.868 -0.212 0.000 1.058 217 T HN -0.042 nan 8.240 nan 0.000 0.529 218 I N 2.169 122.826 120.570 0.146 0.000 2.437 218 I HA 0.319 4.490 4.170 0.002 0.000 0.279 218 I C -2.526 173.694 176.117 0.171 0.000 1.028 218 I CA -2.630 58.776 61.300 0.176 0.000 1.142 218 I CB 1.728 39.877 38.000 0.249 0.000 1.266 218 I HN 0.406 nan 8.210 nan 0.000 0.461 219 P HA 0.064 nan 4.420 nan 0.000 0.267 219 P C -1.018 176.049 177.300 -0.387 0.000 1.200 219 P CA 0.497 63.394 63.100 -0.339 0.000 0.772 219 P CB 0.377 31.604 31.700 -0.788 0.000 0.855 220 H N 0.096 118.778 119.070 -0.647 0.000 3.037 220 H HA 0.402 4.959 4.556 0.002 0.000 0.336 220 H C -3.315 171.408 175.328 -1.009 0.000 1.323 220 H CA -2.631 52.636 56.048 -1.302 0.000 1.159 220 H CB 0.880 29.963 29.762 -1.132 0.000 1.882 220 H HN 0.106 nan 8.280 nan 0.000 0.535 221 P HA 0.149 nan 4.420 nan 0.000 0.279 221 P C 0.390 177.595 177.300 -0.159 0.000 1.239 221 P CA -0.314 62.470 63.100 -0.527 0.000 0.789 221 P CB 1.424 32.892 31.700 -0.387 0.000 0.933 222 S N 1.884 117.541 115.700 -0.071 0.000 2.402 222 S HA 0.000 4.472 4.470 0.002 0.000 0.229 222 S C 1.151 175.718 174.600 -0.055 0.000 1.021 222 S CA 0.793 58.942 58.200 -0.086 0.000 0.974 222 S CB -0.458 62.626 63.200 -0.193 0.000 0.800 222 S HN 0.473 nan 8.310 nan 0.000 0.484 223 I N 2.505 123.099 120.570 0.041 0.000 2.287 223 I HA 0.237 4.408 4.170 0.002 0.000 0.290 223 I C -0.203 175.968 176.117 0.091 0.000 1.069 223 I CA -0.398 60.951 61.300 0.082 0.000 1.237 223 I CB 0.890 38.965 38.000 0.126 0.000 1.418 223 I HN -0.006 nan 8.210 nan 0.000 0.481 224 E N 6.476 126.732 120.200 0.093 0.000 2.089 224 E HA 0.170 4.522 4.350 0.002 0.000 0.284 224 E C -0.064 176.526 176.600 -0.016 0.000 1.023 224 E CA 0.128 56.602 56.400 0.125 0.000 0.819 224 E CB 0.656 30.483 29.700 0.212 0.000 1.076 224 E HN 0.493 nan 8.360 nan 0.000 0.396 225 E N 4.302 124.508 120.200 0.011 0.000 2.660 225 E HA 0.099 4.451 4.350 0.002 0.000 0.216 225 E C -0.490 176.090 176.600 -0.033 0.000 0.986 225 E CA -0.262 56.071 56.400 -0.112 0.000 1.037 225 E CB 0.196 29.890 29.700 -0.009 0.000 1.041 225 E HN 0.580 nan 8.360 nan 0.000 0.480 226 F N -0.498 119.500 119.950 0.080 0.000 2.914 226 F HA -0.314 4.215 4.527 0.002 0.000 0.304 226 F C 1.821 177.594 175.800 -0.045 0.000 0.712 226 F CA 1.149 59.168 58.000 0.031 0.000 1.211 226 F CB -2.320 36.690 39.000 0.017 0.000 1.515 226 F HN 0.219 nan 8.300 nan 0.000 0.350 227 K N -0.797 119.649 120.400 0.078 0.000 2.155 227 K HA 0.125 4.446 4.320 0.002 0.000 0.203 227 K C 0.512 176.816 176.600 -0.493 0.000 1.052 227 K CA 1.849 57.974 56.287 -0.269 0.000 0.948 227 K CB -0.284 31.967 32.500 -0.414 0.000 0.728 227 K HN 0.423 nan 8.250 nan 0.000 0.448 228 Y N -2.355 118.101 120.300 0.261 0.000 2.602 228 Y HA 0.497 5.048 4.550 0.002 0.000 0.342 228 Y C 1.355 177.294 175.900 0.065 0.000 1.029 228 Y CA -0.548 57.710 58.100 0.264 0.000 1.080 228 Y CB 2.379 41.173 38.460 0.557 0.000 1.284 228 Y HN 0.453 nan 8.280 nan 0.000 0.485 229 G N 0.235 109.044 108.800 0.016 0.000 2.578 229 G HA2 0.095 4.056 3.960 0.002 0.000 0.232 229 G HA3 0.095 4.056 3.960 0.002 0.000 0.232 229 G C 0.076 174.740 174.900 -0.394 0.000 1.176 229 G CA -0.384 44.353 45.100 -0.606 0.000 0.968 229 G HN 1.205 nan 8.290 nan 0.000 0.583 230 G N -0.423 108.074 108.800 -0.505 0.000 2.702 230 G HA2 0.671 4.633 3.960 0.002 0.000 0.254 230 G HA3 0.671 4.633 3.960 0.002 0.000 0.254 230 G C -1.052 173.554 174.900 -0.490 0.000 1.380 230 G CA 0.331 45.028 45.100 -0.672 0.000 1.042 230 G HN 0.603 nan 8.290 nan 0.000 0.557 231 P HA -0.009 nan 4.420 nan 0.000 0.222 231 P C 0.684 177.569 177.300 -0.691 0.000 1.147 231 P CA 0.840 63.663 63.100 -0.461 0.000 0.790 231 P CB 0.258 31.725 31.700 -0.388 0.000 0.780 232 N N -0.714 117.555 118.700 -0.720 0.000 2.321 232 N HA 0.181 4.922 4.740 0.002 0.000 0.242 232 N C 1.163 176.369 175.510 -0.507 0.000 1.141 232 N CA 0.726 53.182 53.050 -0.990 0.000 0.864 232 N CB 0.679 38.710 38.487 -0.759 0.000 1.100 232 N HN 0.093 nan 8.380 nan 0.000 0.510 233 G N 1.696 110.317 108.800 -0.299 0.000 2.556 233 G HA2 -0.352 3.609 3.960 0.002 0.000 0.283 233 G HA3 -0.352 3.609 3.960 0.002 0.000 0.283 233 G C 0.256 175.095 174.900 -0.102 0.000 1.177 233 G CA 0.156 45.288 45.100 0.054 0.000 0.978 233 G HN 0.263 nan 8.290 nan 0.000 0.554 234 F N 1.310 121.354 119.950 0.158 0.000 2.695 234 F HA 0.426 4.954 4.527 0.002 0.000 0.303 234 F C 2.555 178.270 175.800 -0.141 0.000 1.091 234 F CA 0.349 58.353 58.000 0.007 0.000 1.300 234 F CB -0.023 38.979 39.000 0.003 0.000 1.071 234 F HN 0.235 nan 8.300 nan 0.000 0.578 235 L N 0.585 121.912 121.223 0.174 0.000 2.013 235 L HA -0.261 4.081 4.340 0.002 0.000 0.212 235 L C 1.960 178.853 176.870 0.038 0.000 1.073 235 L CA 1.866 56.825 54.840 0.199 0.000 0.753 235 L CB -0.627 41.632 42.059 0.332 0.000 0.890 235 L HN 0.218 nan 8.230 nan 0.000 0.432 236 D N -0.512 119.788 120.400 -0.166 0.000 2.324 236 D HA -0.067 4.575 4.640 0.002 0.000 0.235 236 D C 1.818 178.002 176.300 -0.195 0.000 1.095 236 D CA 0.378 54.280 54.000 -0.164 0.000 0.871 236 D CB -0.264 40.264 40.800 -0.453 0.000 0.906 236 D HN 0.333 nan 8.370 nan 0.000 0.522 237 L N -1.279 119.621 121.223 -0.538 0.000 2.341 237 L HA 0.078 4.420 4.340 0.002 0.000 0.214 237 L C 1.192 177.773 176.870 -0.482 0.000 1.115 237 L CA 0.573 54.884 54.840 -0.881 0.000 0.820 237 L CB -0.121 41.022 42.059 -1.526 0.000 0.944 237 L HN -0.034 nan 8.230 nan 0.000 0.452 238 F N -1.961 118.012 119.950 0.038 0.000 2.581 238 F HA 0.173 4.701 4.527 0.002 0.000 0.278 238 F C 1.087 177.020 175.800 0.221 0.000 1.000 238 F CA -0.214 57.855 58.000 0.116 0.000 1.230 238 F CB 0.070 39.078 39.000 0.013 0.000 1.008 238 F HN -0.188 nan 8.300 nan 0.000 0.695 239 T N 0.095 114.861 114.554 0.352 0.000 2.991 239 T HA 0.345 4.696 4.350 0.002 0.000 0.303 239 T C -1.124 173.743 174.700 0.278 0.000 1.015 239 T CA -0.770 61.489 62.100 0.265 0.000 1.007 239 T CB 1.749 70.723 68.868 0.175 0.000 1.034 239 T HN 0.055 nan 8.240 nan 0.000 0.446 240 K N 3.424 123.960 120.400 0.227 0.000 2.234 240 K HA 0.399 4.720 4.320 0.002 0.000 0.282 240 K C -0.835 175.865 176.600 0.167 0.000 1.039 240 K CA -0.483 55.966 56.287 0.271 0.000 0.928 240 K CB 0.702 33.322 32.500 0.198 0.000 1.039 240 K HN 0.721 nan 8.250 nan 0.000 0.470 241 D N 2.500 122.938 120.400 0.063 0.000 2.493 241 D HA 0.271 4.912 4.640 0.002 0.000 0.239 241 D C 0.567 176.721 176.300 -0.243 0.000 1.049 241 D CA -0.503 53.423 54.000 -0.123 0.000 1.008 241 D CB 1.531 42.144 40.800 -0.311 0.000 1.398 241 D HN 0.499 nan 8.370 nan 0.000 0.513 242 R N -0.243 120.157 120.500 -0.168 0.000 2.075 242 R HA 0.032 4.373 4.340 0.002 0.000 0.232 242 R C 0.685 176.826 176.300 -0.265 0.000 1.126 242 R CA 0.940 56.928 56.100 -0.186 0.000 0.963 242 R CB -0.048 30.128 30.300 -0.207 0.000 0.858 242 R HN 0.447 nan 8.270 nan 0.000 0.435 243 S N -1.632 113.836 115.700 -0.386 0.000 2.588 243 S HA 0.474 4.946 4.470 0.002 0.000 0.275 243 S C -1.257 173.034 174.600 -0.515 0.000 1.130 243 S CA -1.071 56.923 58.200 -0.342 0.000 0.855 243 S CB 1.281 64.402 63.200 -0.132 0.000 1.116 243 S HN 0.077 nan 8.310 nan 0.000 0.472 244 Y N 0.220 120.594 120.300 0.123 0.000 2.377 244 Y HA 0.770 5.321 4.550 0.002 0.000 0.339 244 Y C 0.418 176.556 175.900 0.396 0.000 1.011 244 Y CA -0.508 57.734 58.100 0.235 0.000 1.093 244 Y CB 2.076 40.638 38.460 0.170 0.000 1.201 244 Y HN 1.115 nan 8.280 nan 0.000 0.455 245 A N 2.896 126.053 122.820 0.562 0.000 2.475 245 A HA 0.614 4.935 4.320 0.002 0.000 0.301 245 A C -1.123 176.586 177.584 0.209 0.000 1.059 245 A CA -1.292 50.988 52.037 0.405 0.000 0.710 245 A CB 1.146 20.352 19.000 0.345 0.000 1.288 245 A HN 0.759 nan 8.150 nan 0.000 0.408 246 K N 1.227 121.515 120.400 -0.187 0.000 2.489 246 K HA 0.308 4.630 4.320 0.002 0.000 0.278 246 K C 0.012 176.598 176.600 -0.023 0.000 1.000 246 K CA 0.532 56.607 56.287 -0.353 0.000 1.012 246 K CB 0.208 32.470 32.500 -0.396 0.000 0.903 246 K HN 0.814 nan 8.250 nan 0.000 0.485 247 Q N 2.381 122.185 119.800 0.006 0.000 2.702 247 Q HA 0.381 4.723 4.340 0.002 0.000 0.289 247 Q C -1.592 174.425 176.000 0.029 0.000 0.923 247 Q CA -1.194 54.617 55.803 0.014 0.000 0.787 247 Q CB 1.067 29.903 28.738 0.164 0.000 1.476 247 Q HN 0.717 nan 8.270 nan 0.000 0.402 248 W N 0.984 122.178 121.300 -0.177 0.000 2.706 248 W HA 0.848 5.510 4.660 0.002 0.000 0.346 248 W C -1.073 175.162 176.519 -0.473 0.000 1.071 248 W CA -0.817 56.314 57.345 -0.357 0.000 1.206 248 W CB 1.457 30.649 29.460 -0.447 0.000 1.413 248 W HN 0.928 nan 8.180 nan 0.000 0.542 249 R N 1.590 121.761 120.500 -0.549 0.000 2.643 249 R HA 0.531 4.872 4.340 0.002 0.000 0.269 249 R C -2.307 173.410 176.300 -0.972 0.000 1.037 249 R CA -0.765 54.908 56.100 -0.712 0.000 0.894 249 R CB 1.388 31.619 30.300 -0.116 0.000 1.238 249 R HN 0.552 nan 8.270 nan 0.000 0.459 250 Y N -0.243 119.653 120.300 -0.672 0.000 2.570 250 Y HA 0.649 5.200 4.550 0.002 0.000 0.345 250 Y C -0.097 175.647 175.900 -0.261 0.000 1.014 250 Y CA -0.826 56.868 58.100 -0.678 0.000 1.063 250 Y CB 2.869 40.566 38.460 -1.272 0.000 1.272 250 Y HN 0.619 nan 8.280 nan 0.000 0.477 251 T N 2.491 117.322 114.554 0.462 0.000 2.921 251 T HA 0.306 4.658 4.350 0.002 0.000 0.297 251 T C -0.847 174.105 174.700 0.421 0.000 1.013 251 T CA -1.123 61.218 62.100 0.402 0.000 0.990 251 T CB 1.034 70.050 68.868 0.245 0.000 1.023 251 T HN 0.667 nan 8.240 nan 0.000 0.447 252 N N 1.116 120.075 118.700 0.431 0.000 2.482 252 N HA 0.651 5.392 4.740 0.002 0.000 0.279 252 N C -1.143 174.471 175.510 0.173 0.000 1.182 252 N CA -1.027 52.206 53.050 0.306 0.000 0.969 252 N CB 1.406 40.072 38.487 0.299 0.000 1.201 252 N HN 0.677 nan 8.380 nan 0.000 0.523 253 A N 1.110 123.973 122.820 0.072 0.000 2.360 253 A HA 0.454 4.775 4.320 0.002 0.000 0.309 253 A C -1.827 175.666 177.584 -0.153 0.000 1.311 253 A CA -1.389 50.586 52.037 -0.104 0.000 0.805 253 A CB 1.136 20.033 19.000 -0.172 0.000 1.144 253 A HN 0.693 nan 8.150 nan 0.000 0.486 254 P HA -0.155 nan 4.420 nan 0.000 0.225 254 P C 0.616 177.818 177.300 -0.163 0.000 1.148 254 P CA 1.281 64.354 63.100 -0.046 0.000 0.779 254 P CB 0.150 31.898 31.700 0.079 0.000 0.780 255 D N 0.438 120.573 120.400 -0.443 0.000 2.264 255 D HA -0.114 4.527 4.640 0.002 0.000 0.208 255 D C 1.761 177.876 176.300 -0.309 0.000 0.966 255 D CA 1.161 54.906 54.000 -0.426 0.000 0.864 255 D CB -0.806 39.580 40.800 -0.690 0.000 0.933 255 D HN 0.131 nan 8.370 nan 0.000 0.499 256 A N 1.098 123.769 122.820 -0.249 0.000 1.855 256 A HA -0.166 4.155 4.320 0.002 0.000 0.215 256 A C 2.186 179.708 177.584 -0.103 0.000 1.191 256 A CA 1.586 53.534 52.037 -0.148 0.000 0.613 256 A CB -0.673 18.298 19.000 -0.048 0.000 0.829 256 A HN 0.131 nan 8.150 nan 0.000 0.442 257 E N -0.116 120.047 120.200 -0.062 0.000 2.097 257 E HA -0.109 4.242 4.350 0.002 0.000 0.196 257 E C 2.059 178.647 176.600 -0.020 0.000 1.000 257 E CA 1.385 57.778 56.400 -0.012 0.000 0.804 257 E CB -0.640 29.084 29.700 0.040 0.000 0.740 257 E HN 0.573 nan 8.360 nan 0.000 0.454 258 G N 0.470 109.236 108.800 -0.057 0.000 2.446 258 G HA2 -0.353 3.608 3.960 0.002 0.000 0.217 258 G HA3 -0.353 3.608 3.960 0.002 0.000 0.217 258 G C 1.571 176.386 174.900 -0.141 0.000 1.168 258 G CA 0.915 45.966 45.100 -0.080 0.000 0.771 258 G HN 0.176 nan 8.290 nan 0.000 0.551 259 R N 0.548 120.916 120.500 -0.220 0.000 2.081 259 R HA 0.054 4.395 4.340 0.002 0.000 0.235 259 R C 2.850 178.985 176.300 -0.276 0.000 1.131 259 R CA 1.417 57.292 56.100 -0.374 0.000 0.960 259 R CB -0.386 29.601 30.300 -0.521 0.000 0.856 259 R HN 0.281 nan 8.270 nan 0.000 0.436 260 A N 0.975 123.735 122.820 -0.100 0.000 1.902 260 A HA -0.147 4.174 4.320 0.002 0.000 0.217 260 A C 2.107 179.800 177.584 0.182 0.000 1.181 260 A CA 1.471 53.562 52.037 0.091 0.000 0.623 260 A CB -0.441 18.635 19.000 0.126 0.000 0.818 260 A HN 0.365 nan 8.150 nan 0.000 0.443 261 I N -0.672 119.956 120.570 0.096 0.000 2.439 261 I HA -0.251 3.920 4.170 0.002 0.000 0.251 261 I C 2.696 178.765 176.117 -0.081 0.000 1.139 261 I CA 1.483 62.812 61.300 0.047 0.000 1.438 261 I CB -0.274 37.688 38.000 -0.063 0.000 1.085 261 I HN 0.530 nan 8.210 nan 0.000 0.427 262 Q N 1.403 121.148 119.800 -0.092 0.000 2.061 262 Q HA -0.270 4.072 4.340 0.002 0.000 0.204 262 Q C 2.372 178.436 176.000 0.106 0.000 0.984 262 Q CA 2.207 58.013 55.803 0.005 0.000 0.846 262 Q CB -0.169 28.539 28.738 -0.050 0.000 0.902 262 Q HN 0.530 nan 8.270 nan 0.000 0.421 263 A N 0.067 122.874 122.820 -0.022 0.000 1.908 263 A HA -0.166 4.155 4.320 0.002 0.000 0.218 263 A C 2.204 179.969 177.584 0.302 0.000 1.181 263 A CA 1.793 53.934 52.037 0.174 0.000 0.627 263 A CB -0.799 18.317 19.000 0.193 0.000 0.818 263 A HN 0.339 nan 8.150 nan 0.000 0.445 264 V N -1.465 118.586 119.914 0.229 0.000 2.548 264 V HA -0.241 3.880 4.120 0.002 0.000 0.249 264 V C 2.290 178.516 176.094 0.219 0.000 1.055 264 V CA 1.793 64.233 62.300 0.232 0.000 1.065 264 V CB -1.104 30.843 31.823 0.207 0.000 0.681 264 V HN 0.726 nan 8.190 nan 0.000 0.462 265 Y N -0.072 120.144 120.300 -0.140 0.000 2.128 265 Y HA -0.284 4.267 4.550 0.002 0.000 0.284 265 Y C 2.149 177.798 175.900 -0.419 0.000 1.154 265 Y CA 1.822 59.672 58.100 -0.417 0.000 1.149 265 Y CB -0.348 37.617 38.460 -0.825 0.000 0.976 265 Y HN 0.281 nan 8.280 nan 0.000 0.505 266 W N 0.003 121.206 121.300 -0.161 0.000 2.381 266 W HA -0.109 4.552 4.660 0.002 0.000 0.301 266 W C 2.754 178.878 176.519 -0.658 0.000 1.205 266 W CA 1.455 58.325 57.345 -0.792 0.000 1.285 266 W CB -0.806 28.078 29.460 -0.959 0.000 1.133 266 W HN 0.141 nan 8.180 nan 0.000 0.521 267 A N 0.530 123.415 122.820 0.109 0.000 1.892 267 A HA -0.328 3.993 4.320 0.002 0.000 0.218 267 A C 1.938 179.400 177.584 -0.202 0.000 1.188 267 A CA 2.195 54.375 52.037 0.239 0.000 0.631 267 A CB -1.271 17.905 19.000 0.293 0.000 0.822 267 A HN 0.502 nan 8.150 nan 0.000 0.447 268 N N -0.534 118.025 118.700 -0.236 0.000 2.142 268 N HA -0.188 4.553 4.740 0.002 0.000 0.186 268 N C 1.900 177.206 175.510 -0.341 0.000 1.023 268 N CA 1.667 54.528 53.050 -0.314 0.000 0.852 268 N CB -0.161 38.197 38.487 -0.215 0.000 0.998 268 N HN 0.613 nan 8.380 nan 0.000 0.424 269 K N -0.048 120.073 120.400 -0.465 0.000 2.025 269 K HA -0.125 4.197 4.320 0.002 0.000 0.207 269 K C 1.940 178.516 176.600 -0.040 0.000 1.049 269 K CA 1.317 57.377 56.287 -0.379 0.000 0.933 269 K CB -0.195 31.931 32.500 -0.623 0.000 0.714 269 K HN 0.198 nan 8.250 nan 0.000 0.438 270 W N 0.559 121.897 121.300 0.063 0.000 2.381 270 W HA 0.065 4.726 4.660 0.002 0.000 0.301 270 W C 2.368 178.939 176.519 0.087 0.000 1.205 270 W CA 0.808 58.257 57.345 0.174 0.000 1.285 270 W CB -1.073 28.633 29.460 0.411 0.000 1.133 270 W HN 0.280 nan 8.180 nan 0.000 0.521 271 A N 0.394 123.163 122.820 -0.084 0.000 1.933 271 A HA -0.222 4.099 4.320 0.002 0.000 0.218 271 A C 2.030 179.510 177.584 -0.173 0.000 1.175 271 A CA 2.306 54.062 52.037 -0.469 0.000 0.628 271 A CB -0.650 17.646 19.000 -1.173 0.000 0.814 271 A HN 0.152 nan 8.150 nan 0.000 0.444 272 K N 0.123 120.440 120.400 -0.138 0.000 2.097 272 K HA -0.078 4.243 4.320 0.002 0.000 0.205 272 K C 1.782 178.375 176.600 -0.011 0.000 1.050 272 K CA 1.564 57.797 56.287 -0.089 0.000 0.938 272 K CB -0.267 32.170 32.500 -0.106 0.000 0.718 272 K HN 0.596 nan 8.250 nan 0.000 0.442 273 E N 0.020 120.250 120.200 0.051 0.000 2.219 273 E HA -0.230 4.121 4.350 0.002 0.000 0.198 273 E C 1.234 177.878 176.600 0.073 0.000 0.998 273 E CA 1.266 57.716 56.400 0.084 0.000 0.818 273 E CB 0.039 29.832 29.700 0.155 0.000 0.741 273 E HN 0.430 nan 8.360 nan 0.000 0.477 274 Q N -1.082 118.772 119.800 0.090 0.000 2.220 274 Q HA 0.154 4.495 4.340 0.002 0.000 0.205 274 Q C 0.785 176.820 176.000 0.057 0.000 0.865 274 Q CA 0.272 56.133 55.803 0.095 0.000 0.960 274 Q CB 1.220 30.073 28.738 0.192 0.000 1.097 274 Q HN 0.329 nan 8.270 nan 0.000 0.493 275 G N 2.027 110.840 108.800 0.021 0.000 2.203 275 G HA2 -0.332 3.629 3.960 0.002 0.000 0.263 275 G HA3 -0.332 3.629 3.960 0.002 0.000 0.263 275 G C 0.472 175.365 174.900 -0.011 0.000 1.012 275 G CA 0.765 45.864 45.100 -0.001 0.000 0.749 275 G HN 0.337 nan 8.290 nan 0.000 0.512 276 K N -0.240 120.143 120.400 -0.027 0.000 2.537 276 K HA 0.319 4.640 4.320 0.002 0.000 0.206 276 K C 1.838 178.311 176.600 -0.211 0.000 1.041 276 K CA 0.182 56.434 56.287 -0.058 0.000 1.090 276 K CB 0.723 33.260 32.500 0.061 0.000 0.833 276 K HN 0.239 nan 8.250 nan 0.000 0.493 277 G N 1.365 110.044 108.800 -0.202 0.000 3.079 277 G HA2 -0.160 3.801 3.960 0.002 0.000 0.205 277 G HA3 -0.160 3.801 3.960 0.002 0.000 0.205 277 G C 1.003 175.769 174.900 -0.224 0.000 1.203 277 G CA 0.719 45.663 45.100 -0.261 0.000 0.929 277 G HN 0.341 nan 8.290 nan 0.000 0.498 278 S N -1.706 113.886 115.700 -0.179 0.000 2.589 278 S HA 0.425 4.896 4.470 0.002 0.000 0.235 278 S C 2.217 176.749 174.600 -0.114 0.000 1.051 278 S CA 0.989 59.107 58.200 -0.137 0.000 0.978 278 S CB 0.285 63.431 63.200 -0.091 0.000 0.929 278 S HN 0.365 nan 8.310 nan 0.000 0.523 279 A N 1.772 124.526 122.820 -0.109 0.000 2.070 279 A HA 0.144 4.465 4.320 0.002 0.000 0.220 279 A C 2.006 179.557 177.584 -0.056 0.000 1.159 279 A CA 1.577 53.595 52.037 -0.033 0.000 0.656 279 A CB -0.721 18.321 19.000 0.071 0.000 0.800 279 A HN 1.293 nan 8.150 nan 0.000 0.453 280 V N -4.795 115.016 119.914 -0.171 0.000 3.528 280 V HA 0.569 4.690 4.120 0.002 0.000 0.294 280 V C 1.836 177.802 176.094 -0.214 0.000 1.404 280 V CA 0.582 62.781 62.300 -0.169 0.000 1.065 280 V CB -0.571 31.119 31.823 -0.221 0.000 0.904 280 V HN 0.373 nan 8.190 nan 0.000 0.435 281 A N 2.241 124.939 122.820 -0.204 0.000 1.933 281 A HA -0.137 4.184 4.320 0.002 0.000 0.218 281 A C 2.472 179.909 177.584 -0.245 0.000 1.175 281 A CA 2.457 54.354 52.037 -0.232 0.000 0.628 281 A CB -0.772 18.115 19.000 -0.188 0.000 0.814 281 A HN 0.961 nan 8.150 nan 0.000 0.444 282 S N -0.749 114.833 115.700 -0.198 0.000 2.436 282 S HA -0.038 4.433 4.470 0.002 0.000 0.228 282 S C 1.680 176.103 174.600 -0.295 0.000 1.014 282 S CA 1.075 59.157 58.200 -0.197 0.000 0.950 282 S CB -0.589 62.538 63.200 -0.121 0.000 0.784 282 S HN 0.216 nan 8.310 nan 0.000 0.504 283 V N 1.796 121.502 119.914 -0.348 0.000 2.358 283 V HA -0.109 4.013 4.120 0.002 0.000 0.246 283 V C 2.636 178.324 176.094 -0.677 0.000 1.047 283 V CA 1.439 63.370 62.300 -0.615 0.000 1.035 283 V CB -0.769 30.788 31.823 -0.443 0.000 0.658 283 V HN 0.424 nan 8.190 nan 0.000 0.452 284 V N 0.217 119.830 119.914 -0.502 0.000 2.282 284 V HA -0.300 3.822 4.120 0.002 0.000 0.249 284 V C 2.763 178.502 176.094 -0.592 0.000 1.057 284 V CA 2.580 64.510 62.300 -0.615 0.000 1.032 284 V CB -0.820 30.589 31.823 -0.689 0.000 0.645 284 V HN 0.689 nan 8.190 nan 0.000 0.447 285 S N -0.636 114.795 115.700 -0.448 0.000 2.383 285 S HA -0.270 4.201 4.470 0.002 0.000 0.229 285 S C 2.034 176.471 174.600 -0.271 0.000 1.030 285 S CA 1.985 59.991 58.200 -0.323 0.000 1.002 285 S CB -0.255 62.800 63.200 -0.242 0.000 0.829 285 S HN 0.641 nan 8.310 nan 0.000 0.467 286 K N 0.713 120.909 120.400 -0.340 0.000 2.103 286 K HA 0.175 4.496 4.320 0.002 0.000 0.204 286 K C 2.466 179.024 176.600 -0.071 0.000 1.052 286 K CA 1.037 57.172 56.287 -0.253 0.000 0.945 286 K CB -0.405 31.936 32.500 -0.265 0.000 0.722 286 K HN 0.454 nan 8.250 nan 0.000 0.443 287 A N 1.297 123.943 122.820 -0.291 0.000 1.969 287 A HA -0.085 4.237 4.320 0.002 0.000 0.218 287 A C 2.305 179.976 177.584 0.146 0.000 1.169 287 A CA 1.705 53.764 52.037 0.037 0.000 0.635 287 A CB -0.610 18.375 19.000 -0.025 0.000 0.810 287 A HN 0.320 nan 8.150 nan 0.000 0.445 288 A N 0.089 122.926 122.820 0.028 0.000 1.933 288 A HA -0.160 4.161 4.320 0.002 0.000 0.218 288 A C 2.099 179.741 177.584 0.096 0.000 1.175 288 A CA 1.999 54.078 52.037 0.070 0.000 0.628 288 A CB -0.410 18.561 19.000 -0.049 0.000 0.814 288 A HN 0.599 nan 8.150 nan 0.000 0.444 289 K N -0.727 119.696 120.400 0.039 0.000 2.025 289 K HA -0.117 4.205 4.320 0.002 0.000 0.207 289 K C 2.135 178.876 176.600 0.234 0.000 1.049 289 K CA 1.641 57.908 56.287 -0.033 0.000 0.933 289 K CB -0.301 31.981 32.500 -0.364 0.000 0.714 289 K HN 0.448 nan 8.250 nan 0.000 0.438 290 M N 0.448 120.257 119.600 0.349 0.000 2.082 290 M HA -0.144 4.337 4.480 0.002 0.000 0.258 290 M C 1.977 178.486 176.300 0.350 0.000 1.069 290 M CA 2.338 57.899 55.300 0.435 0.000 1.102 290 M CB -0.568 32.311 32.600 0.464 0.000 1.336 290 M HN 0.360 nan 8.290 nan 0.000 0.404 291 G N -0.356 108.588 108.800 0.241 0.000 2.442 291 G HA2 -0.290 3.671 3.960 0.002 0.000 0.219 291 G HA3 -0.290 3.671 3.960 0.002 0.000 0.219 291 G C 1.157 176.316 174.900 0.431 0.000 1.141 291 G CA 1.334 46.528 45.100 0.156 0.000 0.763 291 G HN 0.496 nan 8.290 nan 0.000 0.554 292 D N 0.074 120.691 120.400 0.362 0.000 2.117 292 D HA -0.058 4.583 4.640 0.002 0.000 0.197 292 D C 2.098 178.518 176.300 0.200 0.000 0.987 292 D CA 0.477 54.676 54.000 0.332 0.000 0.829 292 D CB -0.247 40.673 40.800 0.201 0.000 0.961 292 D HN 0.315 nan 8.370 nan 0.000 0.460 293 F N -0.122 119.928 119.950 0.166 0.000 2.407 293 F HA -0.030 4.498 4.527 0.002 0.000 0.299 293 F C 2.038 177.919 175.800 0.135 0.000 1.097 293 F CA 0.071 58.125 58.000 0.089 0.000 1.422 293 F CB -0.070 38.928 39.000 -0.003 0.000 1.067 293 F HN -0.001 nan 8.300 nan 0.000 0.539 294 L N 0.182 121.649 121.223 0.406 0.000 2.456 294 L HA -0.081 4.260 4.340 0.002 0.000 0.224 294 L C 2.025 179.055 176.870 0.266 0.000 1.148 294 L CA 1.230 56.300 54.840 0.383 0.000 0.825 294 L CB -0.854 41.520 42.059 0.526 0.000 0.937 294 L HN 0.007 nan 8.230 nan 0.000 0.450 295 R N -0.884 119.720 120.500 0.174 0.000 2.241 295 R HA -0.095 4.246 4.340 0.002 0.000 0.224 295 R C 1.796 178.200 176.300 0.173 0.000 1.101 295 R CA 0.799 56.894 56.100 -0.009 0.000 0.995 295 R CB -0.326 29.973 30.300 -0.003 0.000 0.870 295 R HN 0.458 nan 8.270 nan 0.000 0.463 296 N N 0.961 119.781 118.700 0.199 0.000 2.309 296 N HA -0.134 4.607 4.740 0.002 0.000 0.182 296 N C 0.411 176.055 175.510 0.223 0.000 1.018 296 N CA 1.310 54.502 53.050 0.236 0.000 0.876 296 N CB -0.039 38.539 38.487 0.152 0.000 0.972 296 N HN 0.315 nan 8.380 nan 0.000 0.434 297 D N 0.094 120.587 120.400 0.155 0.000 2.363 297 D HA 0.070 4.711 4.640 0.002 0.000 0.226 297 D C 1.226 177.552 176.300 0.044 0.000 1.020 297 D CA 0.324 54.392 54.000 0.113 0.000 0.892 297 D CB 0.040 40.926 40.800 0.143 0.000 0.900 297 D HN 0.227 nan 8.370 nan 0.000 0.531 298 M N -0.325 119.201 119.600 -0.122 0.000 2.495 298 M HA 0.169 4.651 4.480 0.002 0.000 0.237 298 M C -0.470 175.050 176.300 -1.300 0.000 1.131 298 M CA 0.227 55.204 55.300 -0.538 0.000 1.032 298 M CB 0.408 32.580 32.600 -0.712 0.000 1.513 298 M HN -0.111 nan 8.290 nan 0.000 0.488 299 F N -0.260 119.290 119.950 -0.666 0.000 2.522 299 F HA 0.286 4.814 4.527 0.002 0.000 0.324 299 F C 0.411 175.823 175.800 -0.647 0.000 1.077 299 F CA -1.656 55.895 58.000 -0.749 0.000 0.944 299 F CB 0.825 39.446 39.000 -0.632 0.000 1.175 299 F HN -0.116 nan 8.300 nan 0.000 0.468 300 D N 2.086 122.267 120.400 -0.365 0.000 2.548 300 D HA -0.054 4.587 4.640 0.002 0.000 0.231 300 D C 1.322 177.417 176.300 -0.342 0.000 1.142 300 D CA 0.502 54.394 54.000 -0.179 0.000 0.866 300 D CB 0.869 41.657 40.800 -0.021 0.000 1.190 300 D HN 0.608 nan 8.370 nan 0.000 0.469 301 K N 2.052 122.291 120.400 -0.268 0.000 2.052 301 K HA -0.265 4.057 4.320 0.002 0.000 0.215 301 K C 0.469 176.757 176.600 -0.520 0.000 1.053 301 K CA 1.585 57.613 56.287 -0.431 0.000 0.934 301 K CB -0.148 32.072 32.500 -0.467 0.000 0.717 301 K HN 0.612 nan 8.250 nan 0.000 0.450 302 Y N -0.925 119.418 120.300 0.071 0.000 2.681 302 Y HA 0.237 4.788 4.550 0.002 0.000 0.267 302 Y C -0.727 175.319 175.900 0.243 0.000 1.166 302 Y CA -0.648 57.570 58.100 0.197 0.000 1.209 302 Y CB -0.005 38.615 38.460 0.266 0.000 1.161 302 Y HN 0.036 nan 8.280 nan 0.000 0.534 303 F N -1.821 118.220 119.950 0.151 0.000 3.091 303 F HA -0.302 4.227 4.527 0.002 0.000 0.288 303 F C 0.248 176.077 175.800 0.048 0.000 0.907 303 F CA 0.027 58.076 58.000 0.082 0.000 1.028 303 F CB -1.648 37.363 39.000 0.018 0.000 1.022 303 F HN -0.013 nan 8.300 nan 0.000 0.665 304 M N 0.226 119.899 119.600 0.121 0.000 2.255 304 M HA 0.193 4.674 4.480 0.002 0.000 0.336 304 M C 0.936 177.267 176.300 0.052 0.000 1.135 304 M CA -0.357 54.944 55.300 0.001 0.000 1.145 304 M CB 0.658 33.122 32.600 -0.226 0.000 1.473 304 M HN 0.049 nan 8.290 nan 0.000 0.462 305 K N 1.554 121.969 120.400 0.025 0.000 2.524 305 K HA 0.047 4.368 4.320 0.002 0.000 0.279 305 K C -0.332 176.314 176.600 0.077 0.000 0.993 305 K CA -0.071 56.244 56.287 0.046 0.000 1.030 305 K CB 0.324 32.838 32.500 0.023 0.000 0.891 305 K HN 0.402 nan 8.250 nan 0.000 0.488 306 I N 2.468 123.087 120.570 0.082 0.000 2.668 306 I HA -0.063 4.108 4.170 0.002 0.000 0.285 306 I C 1.585 177.770 176.117 0.113 0.000 1.168 306 I CA 1.022 62.390 61.300 0.113 0.000 1.424 306 I CB -0.294 37.766 38.000 0.099 0.000 1.377 306 I HN 1.018 nan 8.210 nan 0.000 0.560 307 G N 4.960 113.852 108.800 0.153 0.000 2.176 307 G HA2 -0.280 3.682 3.960 0.002 0.000 0.253 307 G HA3 -0.280 3.682 3.960 0.002 0.000 0.253 307 G C 1.136 176.046 174.900 0.017 0.000 0.979 307 G CA 0.665 45.836 45.100 0.118 0.000 0.641 307 G HN 0.848 nan 8.290 nan 0.000 0.530 308 A N -0.214 122.625 122.820 0.031 0.000 1.940 308 A HA 0.147 4.468 4.320 0.002 0.000 0.219 308 A C 1.806 179.342 177.584 -0.080 0.000 1.176 308 A CA 2.372 54.396 52.037 -0.021 0.000 0.631 308 A CB -0.425 18.563 19.000 -0.019 0.000 0.814 308 A HN 1.437 nan 8.150 nan 0.000 0.446 309 Q N -1.144 118.591 119.800 -0.107 0.000 2.468 309 Q HA -0.276 4.065 4.340 0.002 0.000 0.256 309 Q C -0.263 175.711 176.000 -0.045 0.000 0.984 309 Q CA 1.075 56.754 55.803 -0.207 0.000 1.110 309 Q CB -1.642 26.820 28.738 -0.461 0.000 1.527 309 Q HN 1.018 nan 8.270 nan 0.000 0.535 310 D N -2.108 118.300 120.400 0.014 0.000 3.182 310 D HA 0.129 4.771 4.640 0.002 0.000 0.352 310 D C -0.883 175.342 176.300 -0.126 0.000 1.421 310 D CA -0.817 53.203 54.000 0.033 0.000 0.912 310 D CB -0.026 40.763 40.800 -0.020 0.000 1.461 310 D HN -0.035 nan 8.370 nan 0.000 0.548 311 K N 0.277 120.538 120.400 -0.231 0.000 2.751 311 K HA 0.349 4.670 4.320 0.002 0.000 0.252 311 K C -0.488 175.922 176.600 -0.316 0.000 1.277 311 K CA -0.078 55.929 56.287 -0.467 0.000 1.226 311 K CB -0.160 32.046 32.500 -0.490 0.000 1.658 311 K HN 0.231 nan 8.250 nan 0.000 0.303 312 T N 3.417 117.823 114.554 -0.246 0.000 2.738 312 T HA 0.208 4.559 4.350 0.002 0.000 0.298 312 T C -2.402 172.222 174.700 -0.126 0.000 0.962 312 T CA -1.906 60.105 62.100 -0.148 0.000 0.972 312 T CB 0.921 69.732 68.868 -0.094 0.000 0.928 312 T HN 0.136 nan 8.240 nan 0.000 0.474 313 P HA 0.387 nan 4.420 nan 0.000 0.271 313 P C -0.833 176.460 177.300 -0.012 0.000 1.216 313 P CA -0.388 62.684 63.100 -0.047 0.000 0.776 313 P CB 0.519 32.190 31.700 -0.048 0.000 0.881 314 A N 2.120 124.959 122.820 0.033 0.000 2.281 314 A HA 0.606 4.927 4.320 0.002 0.000 0.329 314 A C 1.036 178.637 177.584 0.028 0.000 1.122 314 A CA 0.061 52.124 52.037 0.044 0.000 0.850 314 A CB 0.445 19.496 19.000 0.086 0.000 1.207 314 A HN 0.570 nan 8.150 nan 0.000 0.495 315 T N -2.623 111.944 114.554 0.021 0.000 2.955 315 T HA 0.407 4.759 4.350 0.002 0.000 0.251 315 T C 1.016 175.715 174.700 -0.001 0.000 1.002 315 T CA 1.071 63.167 62.100 -0.007 0.000 0.970 315 T CB -0.034 68.827 68.868 -0.012 0.000 1.091 315 T HN 1.012 nan 8.240 nan 0.000 0.495 316 G N 0.132 108.962 108.800 0.049 0.000 3.157 316 G HA2 0.379 4.341 3.960 0.002 0.000 0.206 316 G HA3 0.379 4.341 3.960 0.002 0.000 0.206 316 G C 0.006 174.935 174.900 0.048 0.000 1.903 316 G CA -0.489 44.654 45.100 0.073 0.000 0.771 316 G HN 0.289 nan 8.290 nan 0.000 0.750 317 Y N 1.355 121.729 120.300 0.124 0.000 2.470 317 Y HA 0.160 4.711 4.550 0.002 0.000 0.284 317 Y C 1.797 177.729 175.900 0.053 0.000 1.188 317 Y CA -0.082 58.094 58.100 0.128 0.000 1.269 317 Y CB 0.559 39.092 38.460 0.121 0.000 1.094 317 Y HN 0.173 nan 8.280 nan 0.000 0.518 318 D N -0.693 119.809 120.400 0.171 0.000 2.309 318 D HA -0.137 4.505 4.640 0.002 0.000 0.212 318 D C 1.788 178.134 176.300 0.076 0.000 0.968 318 D CA 1.394 55.460 54.000 0.110 0.000 0.882 318 D CB -0.100 40.753 40.800 0.088 0.000 0.918 318 D HN 0.328 nan 8.370 nan 0.000 0.503 319 S N -0.973 114.789 115.700 0.104 0.000 2.597 319 S HA 0.409 4.880 4.470 0.002 0.000 0.224 319 S C 0.762 175.278 174.600 -0.141 0.000 0.955 319 S CA -0.582 57.667 58.200 0.082 0.000 0.933 319 S CB 0.393 63.739 63.200 0.243 0.000 0.788 319 S HN 0.143 nan 8.310 nan 0.000 0.488 320 A N 2.150 124.748 122.820 -0.370 0.000 2.269 320 A HA 0.572 4.893 4.320 0.002 0.000 0.302 320 A C 0.727 177.843 177.584 -0.780 0.000 1.266 320 A CA -0.644 50.753 52.037 -1.067 0.000 0.894 320 A CB -0.036 18.046 19.000 -1.530 0.000 1.147 320 A HN 0.690 nan 8.150 nan 0.000 0.537 321 H N 0.401 119.156 119.070 -0.525 0.000 2.544 321 H HA 0.115 4.673 4.556 0.002 0.000 0.269 321 H C -0.193 174.992 175.328 -0.239 0.000 0.970 321 H CA 0.520 56.396 56.048 -0.288 0.000 1.219 321 H CB -0.605 29.032 29.762 -0.209 0.000 1.421 321 H HN 0.737 nan 8.280 nan 0.000 0.555 322 Y N -0.880 119.255 120.300 -0.275 0.000 4.490 322 Y HA -0.221 4.331 4.550 0.002 0.000 0.233 322 Y C -0.307 175.511 175.900 -0.137 0.000 1.101 322 Y CA 0.323 58.261 58.100 -0.269 0.000 2.010 322 Y CB -2.297 35.993 38.460 -0.282 0.000 1.622 322 Y HN 0.233 nan 8.280 nan 0.000 0.675 323 L N -0.387 120.916 121.223 0.133 0.000 2.304 323 L HA 0.566 4.908 4.340 0.002 0.000 0.268 323 L C 0.616 177.498 176.870 0.021 0.000 1.010 323 L CA -1.423 53.380 54.840 -0.062 0.000 0.813 323 L CB 0.538 42.344 42.059 -0.422 0.000 1.315 323 L HN -0.139 nan 8.230 nan 0.000 0.445 324 M N 1.803 121.424 119.600 0.035 0.000 2.201 324 M HA 0.276 4.758 4.480 0.002 0.000 0.345 324 M C 0.281 176.629 176.300 0.079 0.000 1.352 324 M CA -0.356 55.012 55.300 0.113 0.000 1.218 324 M CB 0.124 32.830 32.600 0.176 0.000 1.512 324 M HN 0.676 nan 8.290 nan 0.000 0.447 325 A N 3.869 126.726 122.820 0.062 0.000 2.325 325 A HA 0.059 4.381 4.320 0.002 0.000 0.260 325 A C 1.200 178.858 177.584 0.124 0.000 1.133 325 A CA -0.286 51.743 52.037 -0.013 0.000 0.801 325 A CB 0.112 19.083 19.000 -0.048 0.000 1.092 325 A HN 0.994 nan 8.150 nan 0.000 0.504 326 W N -0.876 120.314 121.300 -0.183 0.000 2.374 326 W HA -0.051 4.610 4.660 0.002 0.000 0.288 326 W C -0.198 176.446 176.519 0.208 0.000 1.218 326 W CA 2.352 59.650 57.345 -0.078 0.000 1.245 326 W CB -0.057 29.333 29.460 -0.116 0.000 1.126 326 W HN 0.702 nan 8.180 nan 0.000 0.545 327 Y N -3.100 117.343 120.300 0.238 0.000 2.741 327 Y HA 0.417 4.968 4.550 0.002 0.000 0.339 327 Y C -0.923 175.090 175.900 0.187 0.000 1.226 327 Y CA -1.504 56.698 58.100 0.171 0.000 1.072 327 Y CB 0.166 38.724 38.460 0.163 0.000 1.331 327 Y HN -0.324 nan 8.280 nan 0.000 0.453 328 T N 0.806 115.635 114.554 0.458 0.000 2.885 328 T HA 0.929 5.280 4.350 0.002 0.000 0.285 328 T C -0.496 174.607 174.700 0.672 0.000 1.019 328 T CA -0.305 62.087 62.100 0.487 0.000 1.010 328 T CB 1.711 70.797 68.868 0.363 0.000 1.022 328 T HN 1.111 nan 8.240 nan 0.000 0.466 329 A N 1.703 124.922 122.820 0.666 0.000 2.423 329 A HA 0.943 5.265 4.320 0.002 0.000 0.304 329 A C -1.577 176.321 177.584 0.524 0.000 1.104 329 A CA -1.200 51.193 52.037 0.592 0.000 0.757 329 A CB 1.292 20.580 19.000 0.480 0.000 1.313 329 A HN 1.061 nan 8.150 nan 0.000 0.423 330 W N -0.132 121.014 121.300 -0.257 0.000 3.075 330 W HA 0.792 5.453 4.660 0.002 0.000 0.334 330 W C -0.225 175.498 176.519 -1.327 0.000 1.243 330 W CA -0.406 56.456 57.345 -0.805 0.000 1.170 330 W CB 0.946 30.229 29.460 -0.295 0.000 1.452 330 W HN 1.329 nan 8.180 nan 0.000 0.572 331 G N -0.177 107.406 108.800 -2.029 0.000 2.550 331 G HA2 0.720 4.681 3.960 0.002 0.000 0.293 331 G HA3 0.720 4.681 3.960 0.002 0.000 0.293 331 G C -1.116 172.563 174.900 -2.034 0.000 1.402 331 G CA -0.148 43.575 45.100 -2.295 0.000 0.784 331 G HN 1.579 nan 8.290 nan 0.000 0.482 332 G N -1.953 105.530 108.800 -2.195 0.000 2.506 332 G HA2 0.694 4.655 3.960 0.002 0.000 0.292 332 G HA3 0.694 4.655 3.960 0.002 0.000 0.292 332 G C -0.198 173.728 174.900 -1.624 0.000 1.425 332 G CA 0.387 44.580 45.100 -1.512 0.000 0.788 332 G HN 1.430 nan 8.290 nan 0.000 0.490 333 G N -1.259 106.373 108.800 -1.947 0.000 2.507 333 G HA2 0.498 4.459 3.960 0.002 0.000 0.271 333 G HA3 0.498 4.459 3.960 0.002 0.000 0.271 333 G C 0.640 175.354 174.900 -0.309 0.000 1.189 333 G CA -0.506 43.920 45.100 -1.123 0.000 0.859 333 G HN 0.531 nan 8.290 nan 0.000 0.542 334 I N 0.971 121.495 120.570 -0.076 0.000 2.810 334 I HA 0.081 4.252 4.170 0.002 0.000 0.262 334 I C 2.785 178.903 176.117 0.002 0.000 1.131 334 I CA 0.859 62.174 61.300 0.025 0.000 1.453 334 I CB 0.027 38.050 38.000 0.038 0.000 1.161 334 I HN 0.625 nan 8.210 nan 0.000 0.444 335 G N 0.921 109.732 108.800 0.018 0.000 2.408 335 G HA2 0.133 4.094 3.960 0.002 0.000 0.217 335 G HA3 0.133 4.094 3.960 0.002 0.000 0.217 335 G C 0.616 175.551 174.900 0.060 0.000 1.150 335 G CA 0.849 45.979 45.100 0.050 0.000 0.776 335 G HN 0.444 nan 8.290 nan 0.000 0.542 336 A N -0.993 121.858 122.820 0.052 0.000 2.524 336 A HA 0.734 5.056 4.320 0.002 0.000 0.286 336 A C -0.586 176.984 177.584 -0.024 0.000 1.203 336 A CA -0.386 51.710 52.037 0.098 0.000 0.736 336 A CB 1.086 20.262 19.000 0.294 0.000 1.322 336 A HN 0.188 nan 8.150 nan 0.000 0.424 337 S N 2.066 117.819 115.700 0.088 0.000 2.434 337 S HA 0.610 5.082 4.470 0.002 0.000 0.318 337 S C -0.885 173.835 174.600 0.200 0.000 1.062 337 S CA -0.412 57.824 58.200 0.060 0.000 1.116 337 S CB -0.542 62.717 63.200 0.098 0.000 0.977 337 S HN 0.674 nan 8.310 nan 0.000 0.480 338 W N 0.537 121.915 121.300 0.131 0.000 3.153 338 W HA 0.775 5.436 4.660 0.002 0.000 0.316 338 W C -1.521 175.087 176.519 0.149 0.000 1.255 338 W CA -1.304 56.122 57.345 0.135 0.000 1.192 338 W CB 0.951 30.488 29.460 0.129 0.000 1.400 338 W HN 0.580 nan 8.180 nan 0.000 0.568 339 A N 2.233 125.344 122.820 0.485 0.000 2.606 339 A HA 0.906 5.228 4.320 0.002 0.000 0.293 339 A C -1.586 176.329 177.584 0.552 0.000 1.082 339 A CA -0.783 51.450 52.037 0.327 0.000 0.685 339 A CB 1.814 20.953 19.000 0.231 0.000 1.284 339 A HN 1.069 nan 8.150 nan 0.000 0.408 340 W N 0.692 122.214 121.300 0.371 0.000 3.047 340 W HA 0.848 5.509 4.660 0.002 0.000 0.341 340 W C -1.458 175.294 176.519 0.389 0.000 1.225 340 W CA -0.762 56.830 57.345 0.412 0.000 1.150 340 W CB 1.479 31.124 29.460 0.309 0.000 1.470 340 W HN 0.920 nan 8.180 nan 0.000 0.578 341 K N 2.157 123.033 120.400 0.793 0.000 2.557 341 K HA 0.490 4.811 4.320 0.002 0.000 0.257 341 K C -1.535 175.479 176.600 0.690 0.000 0.933 341 K CA -0.491 56.135 56.287 0.565 0.000 0.820 341 K CB 2.593 35.213 32.500 0.200 0.000 1.330 341 K HN 0.653 nan 8.250 nan 0.000 0.432 342 I N 0.175 121.096 120.570 0.585 0.000 2.689 342 I HA 0.669 4.840 4.170 0.002 0.000 0.299 342 I C 0.230 176.443 176.117 0.161 0.000 1.059 342 I CA -0.817 60.669 61.300 0.310 0.000 1.055 342 I CB 2.103 40.206 38.000 0.172 0.000 1.243 342 I HN 0.662 nan 8.210 nan 0.000 0.425 343 G N 2.419 111.126 108.800 -0.156 0.000 2.975 343 G HA2 0.474 4.435 3.960 0.002 0.000 0.159 343 G HA3 0.474 4.435 3.960 0.002 0.000 0.159 343 G C -0.964 173.769 174.900 -0.279 0.000 1.525 343 G CA -0.358 44.637 45.100 -0.174 0.000 1.075 343 G HN 0.853 nan 8.290 nan 0.000 0.574 344 C N -1.883 117.216 119.300 -0.335 0.000 3.006 344 C HA 0.604 5.065 4.460 0.002 0.000 0.359 344 C C 1.236 176.027 174.990 -0.331 0.000 1.103 344 C CA -0.204 58.503 59.018 -0.518 0.000 1.286 344 C CB 1.002 28.209 27.740 -0.889 0.000 1.694 344 C HN 0.543 nan 8.230 nan 0.000 0.511 345 S N 2.083 117.477 115.700 -0.509 0.000 2.558 345 S HA 0.139 4.610 4.470 0.002 0.000 0.217 345 S C 0.297 174.640 174.600 -0.429 0.000 0.975 345 S CA 0.348 58.310 58.200 -0.396 0.000 0.912 345 S CB -0.325 62.613 63.200 -0.437 0.000 0.776 345 S HN 0.796 nan 8.310 nan 0.000 0.526 346 H N 0.879 119.804 119.070 -0.242 0.000 2.469 346 H HA 0.723 5.281 4.556 0.002 0.000 0.342 346 H C -0.370 174.807 175.328 -0.253 0.000 1.115 346 H CA -0.881 55.007 56.048 -0.267 0.000 1.204 346 H CB 1.401 30.958 29.762 -0.341 0.000 1.492 346 H HN 0.129 nan 8.280 nan 0.000 0.499 347 A N 2.790 125.548 122.820 -0.103 0.000 2.374 347 A HA 0.347 4.669 4.320 0.002 0.000 0.305 347 A C -1.232 176.397 177.584 0.074 0.000 1.053 347 A CA -0.627 51.353 52.037 -0.096 0.000 0.726 347 A CB 1.610 20.400 19.000 -0.350 0.000 1.229 347 A HN 0.767 nan 8.150 nan 0.000 0.431 348 H N 3.108 122.159 119.070 -0.031 0.000 2.466 348 H HA 0.354 4.911 4.556 0.002 0.000 0.338 348 H C 0.725 176.025 175.328 -0.045 0.000 1.091 348 H CA -0.833 55.162 56.048 -0.088 0.000 1.207 348 H CB 1.056 30.669 29.762 -0.249 0.000 1.466 348 H HN 0.720 nan 8.280 nan 0.000 0.493 349 F N 3.468 123.439 119.950 0.036 0.000 2.192 349 F HA -0.041 4.487 4.527 0.002 0.000 0.301 349 F C 1.772 177.590 175.800 0.030 0.000 1.079 349 F CA 1.460 59.386 58.000 -0.125 0.000 1.303 349 F CB -0.762 37.925 39.000 -0.521 0.000 1.024 349 F HN 0.523 nan 8.300 nan 0.000 0.494 350 G N -1.235 106.926 108.800 -1.067 0.000 2.535 350 G HA2 -0.238 3.723 3.960 0.002 0.000 0.218 350 G HA3 -0.238 3.723 3.960 0.002 0.000 0.218 350 G C 0.953 175.786 174.900 -0.112 0.000 1.122 350 G CA 0.602 45.135 45.100 -0.944 0.000 0.769 350 G HN 0.501 nan 8.290 nan 0.000 0.549 351 Y N 0.252 120.378 120.300 -0.290 0.000 2.458 351 Y HA 0.275 4.826 4.550 0.002 0.000 0.256 351 Y C 1.128 177.016 175.900 -0.020 0.000 1.159 351 Y CA -0.873 57.150 58.100 -0.129 0.000 1.261 351 Y CB 0.114 38.492 38.460 -0.136 0.000 1.119 351 Y HN 0.105 nan 8.280 nan 0.000 0.524 352 Q N 0.764 120.658 119.800 0.157 0.000 2.394 352 Q HA 0.104 4.445 4.340 0.002 0.000 0.248 352 Q C -0.012 176.137 176.000 0.249 0.000 0.992 352 Q CA 0.195 56.118 55.803 0.200 0.000 0.888 352 Q CB 0.702 29.543 28.738 0.172 0.000 1.257 352 Q HN 0.118 nan 8.270 nan 0.000 0.462 353 N N 1.926 120.771 118.700 0.243 0.000 2.722 353 N HA 0.162 4.903 4.740 0.002 0.000 0.242 353 N C -2.284 173.342 175.510 0.194 0.000 1.398 353 N CA -1.446 51.721 53.050 0.196 0.000 0.755 353 N CB 1.014 39.556 38.487 0.091 0.000 1.268 353 N HN 0.132 nan 8.380 nan 0.000 0.522 354 P HA -0.097 nan 4.420 nan 0.000 0.222 354 P C 1.406 178.743 177.300 0.062 0.000 1.147 354 P CA 0.471 63.654 63.100 0.139 0.000 0.790 354 P CB 0.184 31.880 31.700 -0.007 0.000 0.780 355 F N 1.859 121.800 119.950 -0.016 0.000 2.051 355 F HA -0.159 4.369 4.527 0.002 0.000 0.296 355 F C 2.610 178.356 175.800 -0.089 0.000 1.122 355 F CA 1.639 59.639 58.000 0.001 0.000 1.201 355 F CB -0.993 38.003 39.000 -0.006 0.000 0.978 355 F HN -0.159 nan 8.300 nan 0.000 0.472 356 Q N 0.658 120.329 119.800 -0.214 0.000 2.112 356 Q HA -0.177 4.164 4.340 0.002 0.000 0.206 356 Q C 2.308 177.951 176.000 -0.594 0.000 0.987 356 Q CA 2.035 57.575 55.803 -0.438 0.000 0.858 356 Q CB -1.067 27.509 28.738 -0.270 0.000 0.905 356 Q HN 0.555 nan 8.270 nan 0.000 0.420 357 G N -0.266 108.320 108.800 -0.358 0.000 2.402 357 G HA2 -0.282 3.679 3.960 0.002 0.000 0.216 357 G HA3 -0.282 3.679 3.960 0.002 0.000 0.216 357 G C 1.123 175.890 174.900 -0.221 0.000 1.162 357 G CA 0.636 45.576 45.100 -0.267 0.000 0.777 357 G HN 0.601 nan 8.290 nan 0.000 0.539 358 W N 1.197 122.138 121.300 -0.598 0.000 2.338 358 W HA -0.130 4.531 4.660 0.002 0.000 0.304 358 W C 2.334 178.415 176.519 -0.731 0.000 1.212 358 W CA 1.836 58.606 57.345 -0.959 0.000 1.264 358 W CB -0.314 28.598 29.460 -0.915 0.000 1.142 358 W HN 0.036 nan 8.180 nan 0.000 0.512 359 V N 0.426 119.779 119.914 -0.934 0.000 2.261 359 V HA -0.340 3.781 4.120 0.002 0.000 0.246 359 V C 2.427 178.038 176.094 -0.806 0.000 1.047 359 V CA 2.371 63.983 62.300 -1.146 0.000 1.015 359 V CB -1.348 29.733 31.823 -1.236 0.000 0.642 359 V HN 0.189 nan 8.190 nan 0.000 0.446 360 S N -0.041 115.227 115.700 -0.720 0.000 2.382 360 S HA -0.144 4.327 4.470 0.002 0.000 0.228 360 S C 2.143 176.562 174.600 -0.303 0.000 1.027 360 S CA 1.397 59.264 58.200 -0.555 0.000 0.991 360 S CB -0.411 62.130 63.200 -1.098 0.000 0.823 360 S HN 0.653 nan 8.310 nan 0.000 0.469 361 A N 1.089 123.755 122.820 -0.256 0.000 1.929 361 A HA -0.053 4.269 4.320 0.002 0.000 0.216 361 A C 2.337 179.802 177.584 -0.199 0.000 1.176 361 A CA 1.915 53.923 52.037 -0.047 0.000 0.628 361 A CB -0.728 18.390 19.000 0.197 0.000 0.816 361 A HN 0.615 nan 8.150 nan 0.000 0.444 362 T N -4.422 109.825 114.554 -0.512 0.000 2.978 362 T HA 0.148 4.500 4.350 0.002 0.000 0.248 362 T C 0.488 174.913 174.700 -0.458 0.000 1.018 362 T CA -0.213 61.579 62.100 -0.513 0.000 1.026 362 T CB 0.012 68.404 68.868 -0.794 0.000 1.032 362 T HN 0.196 nan 8.240 nan 0.000 0.485 363 Q N 2.047 121.541 119.800 -0.510 0.000 2.314 363 Q HA 0.393 4.735 4.340 0.002 0.000 0.257 363 Q C 1.118 177.046 176.000 -0.119 0.000 0.975 363 Q CA -0.077 55.551 55.803 -0.292 0.000 0.933 363 Q CB 1.674 30.273 28.738 -0.233 0.000 1.195 363 Q HN 0.334 nan 8.270 nan 0.000 0.426 364 S N 3.203 118.839 115.700 -0.106 0.000 2.372 364 S HA -0.213 4.258 4.470 0.002 0.000 0.227 364 S C 0.828 175.363 174.600 -0.108 0.000 1.044 364 S CA 2.015 60.160 58.200 -0.092 0.000 1.050 364 S CB 0.194 63.342 63.200 -0.087 0.000 0.901 364 S HN 0.546 nan 8.310 nan 0.000 0.447 365 D N -0.165 120.159 120.400 -0.127 0.000 2.219 365 D HA 0.000 4.642 4.640 0.002 0.000 0.205 365 D C 0.895 176.934 176.300 -0.435 0.000 0.970 365 D CA 0.847 54.669 54.000 -0.296 0.000 0.851 365 D CB -0.279 40.277 40.800 -0.406 0.000 0.943 365 D HN 0.532 nan 8.370 nan 0.000 0.488 366 F N 0.573 120.405 119.950 -0.197 0.000 2.641 366 F HA 0.355 4.883 4.527 0.002 0.000 0.302 366 F C 0.967 176.665 175.800 -0.170 0.000 1.098 366 F CA -0.602 57.278 58.000 -0.200 0.000 1.318 366 F CB -0.097 38.748 39.000 -0.259 0.000 1.035 366 F HN -0.245 nan 8.300 nan 0.000 0.551 367 A N 1.670 124.475 122.820 -0.025 0.000 2.545 367 A HA 0.250 4.571 4.320 0.002 0.000 0.253 367 A C -2.090 175.502 177.584 0.012 0.000 1.074 367 A CA -1.079 50.945 52.037 -0.021 0.000 0.760 367 A CB -0.629 18.345 19.000 -0.043 0.000 1.005 367 A HN 0.009 nan 8.150 nan 0.000 0.506 368 P HA -0.013 nan 4.420 nan 0.000 0.264 368 P C 0.644 177.982 177.300 0.064 0.000 1.183 368 P CA 0.079 63.250 63.100 0.119 0.000 0.763 368 P CB 0.568 32.375 31.700 0.178 0.000 0.807 369 K N 1.847 122.297 120.400 0.083 0.000 2.365 369 K HA 0.012 4.333 4.320 0.002 0.000 0.197 369 K C 0.468 176.961 176.600 -0.178 0.000 1.042 369 K CA 0.285 56.531 56.287 -0.069 0.000 0.987 369 K CB 0.094 32.530 32.500 -0.107 0.000 0.779 369 K HN 0.621 nan 8.250 nan 0.000 0.484 370 S N 0.023 115.640 115.700 -0.138 0.000 2.593 370 S HA 0.012 4.484 4.470 0.002 0.000 0.269 370 S C 1.029 175.593 174.600 -0.061 0.000 1.334 370 S CA -0.115 57.999 58.200 -0.144 0.000 1.015 370 S CB 1.563 64.715 63.200 -0.081 0.000 0.912 370 S HN 0.252 nan 8.310 nan 0.000 0.541 371 S N 0.819 116.485 115.700 -0.057 0.000 2.489 371 S HA 0.034 4.505 4.470 0.002 0.000 0.228 371 S C 0.848 175.450 174.600 0.002 0.000 0.995 371 S CA 0.150 58.333 58.200 -0.028 0.000 0.934 371 S CB -0.517 62.663 63.200 -0.033 0.000 0.771 371 S HN 0.737 nan 8.310 nan 0.000 0.522 372 N N 0.889 119.604 118.700 0.025 0.000 2.184 372 N HA 0.238 4.979 4.740 0.002 0.000 0.206 372 N C 1.582 177.135 175.510 0.072 0.000 1.151 372 N CA 0.661 53.738 53.050 0.046 0.000 0.878 372 N CB 0.114 38.650 38.487 0.082 0.000 1.014 372 N HN 0.522 nan 8.380 nan 0.000 0.512 373 G N 1.592 110.450 108.800 0.096 0.000 2.446 373 G HA2 -0.293 3.668 3.960 0.002 0.000 0.217 373 G HA3 -0.293 3.668 3.960 0.002 0.000 0.217 373 G C 1.527 176.566 174.900 0.231 0.000 1.168 373 G CA 0.825 46.032 45.100 0.178 0.000 0.771 373 G HN 0.293 nan 8.290 nan 0.000 0.551 374 K N 0.346 120.839 120.400 0.155 0.000 2.057 374 K HA -0.080 4.241 4.320 0.002 0.000 0.207 374 K C 2.519 179.192 176.600 0.123 0.000 1.049 374 K CA 1.141 57.513 56.287 0.141 0.000 0.931 374 K CB -0.222 32.314 32.500 0.061 0.000 0.714 374 K HN 0.249 nan 8.250 nan 0.000 0.440 375 R N 0.588 121.122 120.500 0.057 0.000 2.070 375 R HA -0.154 4.187 4.340 0.002 0.000 0.233 375 R C 1.455 177.737 176.300 -0.030 0.000 1.137 375 R CA 2.181 58.279 56.100 -0.003 0.000 0.945 375 R CB -0.283 29.988 30.300 -0.049 0.000 0.845 375 R HN 0.263 nan 8.270 nan 0.000 0.430 376 D N -0.496 119.891 120.400 -0.021 0.000 2.149 376 D HA -0.198 4.443 4.640 0.002 0.000 0.198 376 D C 1.659 177.889 176.300 -0.118 0.000 0.990 376 D CA 1.199 55.160 54.000 -0.064 0.000 0.839 376 D CB -0.459 40.327 40.800 -0.023 0.000 0.948 376 D HN 0.385 nan 8.370 nan 0.000 0.460 377 W N 1.052 122.392 121.300 0.067 0.000 2.402 377 W HA -0.105 4.556 4.660 0.002 0.000 0.286 377 W C 2.520 179.114 176.519 0.125 0.000 1.221 377 W CA 1.028 58.426 57.345 0.088 0.000 1.257 377 W CB -0.340 29.159 29.460 0.065 0.000 1.120 377 W HN -0.101 nan 8.180 nan 0.000 0.551 378 T N -0.584 114.137 114.554 0.277 0.000 2.746 378 T HA -0.195 4.156 4.350 0.002 0.000 0.267 378 T C 1.605 176.224 174.700 -0.135 0.000 1.039 378 T CA 2.005 64.207 62.100 0.170 0.000 1.142 378 T CB -0.707 68.218 68.868 0.094 0.000 0.866 378 T HN 0.058 nan 8.240 nan 0.000 0.444 379 T N 1.401 115.822 114.554 -0.221 0.000 2.708 379 T HA -0.118 4.233 4.350 0.002 0.000 0.266 379 T C 2.330 176.783 174.700 -0.411 0.000 1.037 379 T CA 1.545 63.373 62.100 -0.452 0.000 1.146 379 T CB -0.512 67.888 68.868 -0.781 0.000 0.865 379 T HN 0.370 nan 8.240 nan 0.000 0.435 380 S N 0.703 116.267 115.700 -0.227 0.000 2.353 380 S HA -0.169 4.302 4.470 0.002 0.000 0.222 380 S C 2.074 176.718 174.600 0.073 0.000 1.035 380 S CA 1.932 60.098 58.200 -0.057 0.000 1.025 380 S CB -0.669 62.481 63.200 -0.084 0.000 0.902 380 S HN 0.732 nan 8.310 nan 0.000 0.440 381 Y N 1.225 121.626 120.300 0.168 0.000 2.207 381 Y HA -0.028 4.523 4.550 0.002 0.000 0.287 381 Y C 1.999 177.915 175.900 0.027 0.000 1.156 381 Y CA 1.690 59.869 58.100 0.132 0.000 1.182 381 Y CB -0.577 37.974 38.460 0.152 0.000 0.979 381 Y HN 0.170 nan 8.280 nan 0.000 0.521 382 K N 0.064 120.093 120.400 -0.618 0.000 2.097 382 K HA -0.165 4.156 4.320 0.002 0.000 0.205 382 K C 2.261 178.769 176.600 -0.154 0.000 1.050 382 K CA 1.461 57.481 56.287 -0.444 0.000 0.938 382 K CB -0.209 31.978 32.500 -0.521 0.000 0.718 382 K HN 0.201 nan 8.250 nan 0.000 0.442 383 R N 1.872 122.273 120.500 -0.165 0.000 2.066 383 R HA -0.104 4.238 4.340 0.002 0.000 0.232 383 R C 2.052 178.397 176.300 0.077 0.000 1.131 383 R CA 1.613 57.653 56.100 -0.099 0.000 0.955 383 R CB -0.334 29.832 30.300 -0.224 0.000 0.851 383 R HN 0.202 nan 8.270 nan 0.000 0.432 384 Q N 0.025 119.872 119.800 0.078 0.000 2.096 384 Q HA -0.209 4.132 4.340 0.002 0.000 0.208 384 Q C 2.174 178.366 176.000 0.319 0.000 0.993 384 Q CA 2.075 57.988 55.803 0.184 0.000 0.862 384 Q CB -0.317 28.565 28.738 0.239 0.000 0.915 384 Q HN 0.364 nan 8.270 nan 0.000 0.416 385 L N 0.540 121.887 121.223 0.207 0.000 2.042 385 L HA -0.221 4.120 4.340 0.002 0.000 0.210 385 L C 2.217 179.194 176.870 0.177 0.000 1.076 385 L CA 1.301 56.240 54.840 0.166 0.000 0.749 385 L CB -0.394 41.670 42.059 0.009 0.000 0.893 385 L HN 0.268 nan 8.230 nan 0.000 0.432 386 E N -0.646 119.659 120.200 0.175 0.000 2.153 386 E HA -0.236 4.115 4.350 0.002 0.000 0.194 386 E C 2.038 178.580 176.600 -0.097 0.000 0.988 386 E CA 1.003 57.469 56.400 0.111 0.000 0.811 386 E CB -0.136 29.752 29.700 0.313 0.000 0.746 386 E HN 0.314 nan 8.360 nan 0.000 0.466 387 F N 0.755 120.555 119.950 -0.250 0.000 2.095 387 F HA -0.243 4.285 4.527 0.002 0.000 0.298 387 F C 1.808 177.374 175.800 -0.389 0.000 1.104 387 F CA 1.430 59.023 58.000 -0.678 0.000 1.232 387 F CB -0.577 38.108 39.000 -0.525 0.000 0.987 387 F HN 0.010 nan 8.300 nan 0.000 0.475 388 Y N 0.297 120.484 120.300 -0.188 0.000 2.165 388 Y HA -0.290 4.261 4.550 0.002 0.000 0.286 388 Y C 2.654 178.343 175.900 -0.353 0.000 1.155 388 Y CA 1.998 59.934 58.100 -0.274 0.000 1.164 388 Y CB -0.843 37.527 38.460 -0.149 0.000 0.978 388 Y HN 0.162 nan 8.280 nan 0.000 0.513 389 Q N -1.580 118.145 119.800 -0.126 0.000 2.046 389 Q HA -0.245 4.097 4.340 0.002 0.000 0.200 389 Q C 2.015 177.895 176.000 -0.201 0.000 0.975 389 Q CA 1.664 57.334 55.803 -0.221 0.000 0.836 389 Q CB -0.604 28.090 28.738 -0.073 0.000 0.896 389 Q HN 0.645 nan 8.270 nan 0.000 0.428 390 W N 1.046 122.002 121.300 -0.573 0.000 2.342 390 W HA -0.147 4.514 4.660 0.002 0.000 0.297 390 W C 1.074 177.424 176.519 -0.282 0.000 1.213 390 W CA 1.222 58.338 57.345 -0.382 0.000 1.251 390 W CB -0.076 29.032 29.460 -0.587 0.000 1.136 390 W HN 0.051 nan 8.180 nan 0.000 0.526 391 L N 0.607 121.472 121.223 -0.596 0.000 2.592 391 L HA 0.096 4.437 4.340 0.002 0.000 0.227 391 L C 1.202 177.710 176.870 -0.603 0.000 1.127 391 L CA 0.025 54.342 54.840 -0.872 0.000 0.884 391 L CB -0.567 40.894 42.059 -0.996 0.000 1.065 391 L HN -0.134 nan 8.230 nan 0.000 0.457 392 Q N 1.512 121.088 119.800 -0.373 0.000 2.281 392 Q HA 0.103 4.444 4.340 0.002 0.000 0.267 392 Q C 0.542 176.489 176.000 -0.089 0.000 1.053 392 Q CA -0.287 55.371 55.803 -0.241 0.000 0.905 392 Q CB 0.849 29.403 28.738 -0.306 0.000 1.195 392 Q HN 0.358 nan 8.270 nan 0.000 0.398 393 S N 3.055 118.678 115.700 -0.129 0.000 2.587 393 S HA 0.142 4.614 4.470 0.002 0.000 0.260 393 S C 1.188 175.747 174.600 -0.068 0.000 1.353 393 S CA -0.076 58.060 58.200 -0.106 0.000 0.995 393 S CB 1.033 64.191 63.200 -0.070 0.000 0.912 393 S HN 0.774 nan 8.310 nan 0.000 0.568 394 A N 0.988 123.741 122.820 -0.111 0.000 1.940 394 A HA -0.098 4.223 4.320 0.002 0.000 0.219 394 A C 2.019 179.602 177.584 -0.001 0.000 1.176 394 A CA 1.946 53.957 52.037 -0.044 0.000 0.631 394 A CB -1.143 17.826 19.000 -0.052 0.000 0.814 394 A HN 0.905 nan 8.150 nan 0.000 0.446 395 E N -1.944 118.221 120.200 -0.058 0.000 2.112 395 E HA 0.263 4.614 4.350 0.002 0.000 0.190 395 E C 1.553 178.034 176.600 -0.197 0.000 0.979 395 E CA 1.248 57.599 56.400 -0.082 0.000 0.814 395 E CB -0.119 29.517 29.700 -0.106 0.000 0.762 395 E HN 0.723 nan 8.360 nan 0.000 0.460 396 G N -0.722 107.852 108.800 -0.376 0.000 2.901 396 G HA2 -0.120 3.841 3.960 0.002 0.000 0.194 396 G HA3 -0.120 3.841 3.960 0.002 0.000 0.194 396 G C 0.659 175.309 174.900 -0.416 0.000 1.020 396 G CA -0.349 44.589 45.100 -0.270 0.000 0.787 396 G HN 0.531 nan 8.290 nan 0.000 0.477 397 G N 0.785 108.832 108.800 -1.255 0.000 2.594 397 G HA2 0.467 4.428 3.960 0.002 0.000 0.243 397 G HA3 0.467 4.428 3.960 0.002 0.000 0.243 397 G C 0.236 175.015 174.900 -0.202 0.000 1.229 397 G CA -0.096 44.427 45.100 -0.962 0.000 0.843 397 G HN 0.431 nan 8.290 nan 0.000 0.578 398 I N 1.409 121.887 120.570 -0.152 0.000 2.325 398 I HA 0.360 4.532 4.170 0.002 0.000 0.291 398 I C 1.037 176.561 176.117 -0.989 0.000 1.019 398 I CA -0.951 59.951 61.300 -0.664 0.000 1.302 398 I CB 0.303 37.571 38.000 -1.221 0.000 1.401 398 I HN 0.526 nan 8.210 nan 0.000 0.485 399 A N 4.998 127.176 122.820 -1.070 0.000 2.267 399 A HA 0.583 4.904 4.320 0.002 0.000 0.271 399 A C 1.439 178.385 177.584 -1.062 0.000 1.131 399 A CA 0.279 51.424 52.037 -1.487 0.000 0.818 399 A CB -0.205 18.171 19.000 -1.039 0.000 1.118 399 A HN 0.870 nan 8.150 nan 0.000 0.501 400 G N -1.128 107.093 108.800 -0.965 0.000 2.484 400 G HA2 0.348 4.309 3.960 0.002 0.000 0.215 400 G HA3 0.348 4.309 3.960 0.002 0.000 0.215 400 G C 0.876 175.385 174.900 -0.652 0.000 1.219 400 G CA 1.589 46.200 45.100 -0.815 0.000 0.791 400 G HN 2.019 nan 8.290 nan 0.000 0.550 401 G N -1.795 106.702 108.800 -0.506 0.000 2.564 401 G HA2 0.607 4.569 3.960 0.002 0.000 0.139 401 G HA3 0.607 4.569 3.960 0.002 0.000 0.139 401 G C -1.304 173.624 174.900 0.048 0.000 1.147 401 G CA 0.380 45.365 45.100 -0.190 0.000 1.031 401 G HN 1.566 nan 8.290 nan 0.000 0.482 402 A N -1.820 121.112 122.820 0.188 0.000 2.601 402 A HA 0.942 5.263 4.320 0.002 0.000 0.291 402 A C -0.735 176.902 177.584 0.087 0.000 1.075 402 A CA 0.609 52.782 52.037 0.226 0.000 0.671 402 A CB 1.408 20.703 19.000 0.491 0.000 1.277 402 A HN 1.938 nan 8.150 nan 0.000 0.417 403 T N -0.828 113.784 114.554 0.096 0.000 2.900 403 T HA 0.492 4.843 4.350 0.002 0.000 0.303 403 T C -0.098 174.699 174.700 0.161 0.000 1.142 403 T CA -0.214 61.950 62.100 0.108 0.000 1.007 403 T CB 1.629 70.588 68.868 0.151 0.000 1.156 403 T HN 0.727 nan 8.240 nan 0.000 0.490 404 N N 1.331 120.116 118.700 0.141 0.000 2.236 404 N HA 0.233 4.974 4.740 0.002 0.000 0.196 404 N C -0.471 175.192 175.510 0.255 0.000 1.114 404 N CA -0.049 53.156 53.050 0.258 0.000 0.859 404 N CB 0.581 39.206 38.487 0.230 0.000 0.982 404 N HN 0.344 nan 8.380 nan 0.000 0.493 405 S N 0.382 116.125 115.700 0.071 0.000 2.524 405 S HA 0.152 4.623 4.470 0.002 0.000 0.227 405 S C -1.452 173.160 174.600 0.020 0.000 1.304 405 S CA -0.764 57.305 58.200 -0.218 0.000 1.185 405 S CB -0.290 62.423 63.200 -0.813 0.000 1.104 405 S HN 0.299 nan 8.310 nan 0.000 0.475 406 W N 4.774 126.116 121.300 0.069 0.000 2.253 406 W HA 0.153 4.815 4.660 0.002 0.000 0.322 406 W C 0.095 176.616 176.519 0.003 0.000 1.342 406 W CA 0.342 57.739 57.345 0.088 0.000 1.218 406 W CB 0.102 29.706 29.460 0.239 0.000 1.205 406 W HN 0.872 nan 8.180 nan 0.000 0.551 407 N N 2.963 121.306 118.700 -0.595 0.000 2.753 407 N HA -0.210 4.531 4.740 0.002 0.000 0.251 407 N C 0.920 176.287 175.510 -0.239 0.000 1.097 407 N CA 2.107 54.917 53.050 -0.400 0.000 0.786 407 N CB -1.521 36.854 38.487 -0.188 0.000 1.137 407 N HN 0.934 nan 8.380 nan 0.000 0.566 408 G N -0.572 108.114 108.800 -0.189 0.000 2.155 408 G HA2 -0.363 3.598 3.960 0.002 0.000 0.257 408 G HA3 -0.363 3.598 3.960 0.002 0.000 0.257 408 G C 0.587 175.374 174.900 -0.188 0.000 0.983 408 G CA 0.789 45.789 45.100 -0.166 0.000 0.676 408 G HN 0.581 nan 8.290 nan 0.000 0.528 409 R N -1.403 119.018 120.500 -0.131 0.000 2.592 409 R HA 0.334 4.676 4.340 0.002 0.000 0.439 409 R C 0.156 176.569 176.300 0.189 0.000 0.995 409 R CA -0.511 55.627 56.100 0.064 0.000 1.141 409 R CB 0.407 30.729 30.300 0.036 0.000 1.495 409 R HN 0.439 nan 8.270 nan 0.000 0.579 410 Y N 0.685 121.077 120.300 0.154 0.000 3.168 410 Y HA -0.301 4.250 4.550 0.002 0.000 0.207 410 Y C 0.021 175.994 175.900 0.121 0.000 1.280 410 Y CA 0.430 58.611 58.100 0.135 0.000 1.235 410 Y CB -2.120 36.377 38.460 0.062 0.000 1.370 410 Y HN 0.255 nan 8.280 nan 0.000 0.537 411 E N 0.650 121.015 120.200 0.275 0.000 2.371 411 E HA 0.206 4.557 4.350 0.002 0.000 0.257 411 E C 0.312 177.014 176.600 0.169 0.000 1.134 411 E CA -1.051 55.493 56.400 0.240 0.000 0.919 411 E CB 0.530 30.427 29.700 0.329 0.000 1.025 411 E HN 0.032 nan 8.360 nan 0.000 0.438 412 K N 1.590 122.015 120.400 0.043 0.000 2.485 412 K HA 0.022 4.343 4.320 0.002 0.000 0.277 412 K C -0.489 176.043 176.600 -0.114 0.000 0.990 412 K CA 0.316 56.547 56.287 -0.092 0.000 0.994 412 K CB 0.033 32.488 32.500 -0.074 0.000 0.906 412 K HN 0.347 nan 8.250 nan 0.000 0.488 413 Y N 2.186 122.348 120.300 -0.231 0.000 2.526 413 Y HA 0.082 4.633 4.550 0.002 0.000 0.330 413 Y C -1.548 174.046 175.900 -0.509 0.000 1.156 413 Y CA -2.675 55.106 58.100 -0.532 0.000 1.419 413 Y CB -0.908 37.359 38.460 -0.321 0.000 1.250 413 Y HN 0.428 nan 8.280 nan 0.000 0.540 414 P HA 0.014 nan 4.420 nan 0.000 0.267 414 P C -0.612 176.591 177.300 -0.162 0.000 1.195 414 P CA -0.007 62.910 63.100 -0.304 0.000 0.773 414 P CB 0.522 32.027 31.700 -0.325 0.000 0.837 415 A N 2.391 125.163 122.820 -0.080 0.000 2.567 415 A HA 0.383 4.704 4.320 0.002 0.000 0.240 415 A C 1.529 179.094 177.584 -0.032 0.000 1.053 415 A CA 0.811 52.825 52.037 -0.039 0.000 0.755 415 A CB -1.346 17.643 19.000 -0.018 0.000 0.978 415 A HN 0.922 nan 8.150 nan 0.000 0.507 416 G N 1.974 110.767 108.800 -0.012 0.000 2.175 416 G HA2 -0.200 3.761 3.960 0.002 0.000 0.244 416 G HA3 -0.200 3.761 3.960 0.002 0.000 0.244 416 G C 0.400 175.308 174.900 0.014 0.000 0.982 416 G CA 0.385 45.489 45.100 0.006 0.000 0.641 416 G HN 1.227 nan 8.290 nan 0.000 0.527 417 T N 1.619 116.165 114.554 -0.014 0.000 2.853 417 T HA 0.464 4.815 4.350 0.002 0.000 0.298 417 T C 0.811 175.556 174.700 0.074 0.000 0.978 417 T CA 0.831 62.923 62.100 -0.014 0.000 1.152 417 T CB 1.409 70.168 68.868 -0.181 0.000 0.914 417 T HN 0.960 nan 8.240 nan 0.000 0.539 418 S N 3.315 119.104 115.700 0.148 0.000 2.584 418 S HA 0.550 5.022 4.470 0.002 0.000 0.273 418 S C 0.238 175.054 174.600 0.361 0.000 1.311 418 S CA -0.650 57.695 58.200 0.242 0.000 1.034 418 S CB 0.417 63.750 63.200 0.221 0.000 0.939 418 S HN 0.859 nan 8.310 nan 0.000 0.513 419 T N 1.066 115.816 114.554 0.326 0.000 2.901 419 T HA 0.697 5.048 4.350 0.002 0.000 0.293 419 T C -1.166 173.460 174.700 -0.122 0.000 1.084 419 T CA -0.741 61.464 62.100 0.176 0.000 1.008 419 T CB 1.281 70.225 68.868 0.127 0.000 1.170 419 T HN 0.644 nan 8.240 nan 0.000 0.509 420 F N 2.161 121.797 119.950 -0.523 0.000 2.553 420 F HA 0.467 4.995 4.527 0.002 0.000 0.335 420 F C -0.726 174.995 175.800 -0.131 0.000 1.148 420 F CA -1.315 56.239 58.000 -0.743 0.000 0.963 420 F CB 0.715 38.861 39.000 -1.424 0.000 1.217 420 F HN 0.809 nan 8.300 nan 0.000 0.441 421 Y N 4.453 124.402 120.300 -0.585 0.000 3.396 421 Y HA -0.194 4.357 4.550 0.002 0.000 0.214 421 Y C 1.486 177.316 175.900 -0.117 0.000 1.203 421 Y CA 1.432 59.310 58.100 -0.370 0.000 1.401 421 Y CB -1.201 36.950 38.460 -0.514 0.000 1.409 421 Y HN 1.136 nan 8.280 nan 0.000 0.594 422 G N -1.862 106.962 108.800 0.040 0.000 2.217 422 G HA2 -0.328 3.633 3.960 0.002 0.000 0.246 422 G HA3 -0.328 3.633 3.960 0.002 0.000 0.246 422 G C 0.314 175.383 174.900 0.281 0.000 0.990 422 G CA 0.146 45.336 45.100 0.151 0.000 0.627 422 G HN 0.384 nan 8.290 nan 0.000 0.522 423 M N 1.174 120.903 119.600 0.215 0.000 2.274 423 M HA 0.627 5.108 4.480 0.002 0.000 0.344 423 M C 0.631 176.977 176.300 0.077 0.000 1.161 423 M CA 0.037 55.467 55.300 0.216 0.000 1.126 423 M CB 1.599 34.321 32.600 0.203 0.000 1.522 423 M HN 0.415 nan 8.290 nan 0.000 0.461 424 A N 2.029 124.742 122.820 -0.178 0.000 2.331 424 A HA 0.349 4.670 4.320 0.002 0.000 0.283 424 A C -1.033 176.660 177.584 0.181 0.000 1.142 424 A CA -0.450 51.410 52.037 -0.295 0.000 0.812 424 A CB 0.186 18.624 19.000 -0.938 0.000 1.074 424 A HN 0.740 nan 8.150 nan 0.000 0.497 425 Y N 3.089 123.531 120.300 0.236 0.000 2.526 425 Y HA 0.348 4.899 4.550 0.002 0.000 0.330 425 Y C 0.137 176.105 175.900 0.114 0.000 1.156 425 Y CA 0.437 58.682 58.100 0.243 0.000 1.419 425 Y CB 0.677 39.207 38.460 0.118 0.000 1.250 425 Y HN 0.847 nan 8.280 nan 0.000 0.540 426 V N 6.222 125.675 119.914 -0.769 0.000 2.577 426 V HA 0.456 4.577 4.120 0.002 0.000 0.303 426 V C -2.622 172.731 176.094 -1.235 0.000 1.042 426 V CA -2.284 59.502 62.300 -0.857 0.000 0.872 426 V CB 2.049 33.569 31.823 -0.504 0.000 0.998 426 V HN 0.618 nan 8.190 nan 0.000 0.423 427 P HA -0.032 nan 4.420 nan 0.000 0.217 427 P C 0.243 176.930 177.300 -1.022 0.000 1.150 427 P CA 1.430 63.932 63.100 -0.997 0.000 0.832 427 P CB -0.015 31.321 31.700 -0.607 0.000 0.787 428 H N -2.162 116.655 119.070 -0.421 0.000 2.448 428 H HA 0.321 4.879 4.556 0.002 0.000 0.237 428 H C -2.468 172.619 175.328 -0.403 0.000 1.391 428 H CA -2.460 53.401 56.048 -0.311 0.000 1.477 428 H CB 0.259 29.933 29.762 -0.146 0.000 1.520 428 H HN 0.071 nan 8.280 nan 0.000 0.502 429 P HA -0.080 nan 4.420 nan 0.000 0.265 429 P C 1.157 178.034 177.300 -0.706 0.000 1.193 429 P CA 0.450 63.236 63.100 -0.524 0.000 0.765 429 P CB 1.221 32.665 31.700 -0.426 0.000 0.823 430 V N 1.201 120.552 119.914 -0.938 0.000 0.481 430 V HA -0.319 3.802 4.120 0.002 0.000 0.092 430 V C 0.202 175.590 176.094 -1.177 0.000 2.400 430 V CA 1.603 63.160 62.300 -1.239 0.000 3.646 430 V CB -2.411 28.352 31.823 -1.766 0.000 0.927 430 V HN 0.468 nan 8.190 nan 0.000 0.973 431 Y N -0.912 119.089 120.300 -0.498 0.000 2.409 431 Y HA 0.823 5.374 4.550 0.002 0.000 0.343 431 Y C 0.569 176.358 175.900 -0.185 0.000 0.973 431 Y CA -0.122 57.806 58.100 -0.286 0.000 1.064 431 Y CB 1.883 40.206 38.460 -0.227 0.000 1.207 431 Y HN 0.136 nan 8.280 nan 0.000 0.452 432 A N 0.920 123.748 122.820 0.014 0.000 2.169 432 A HA 0.084 4.405 4.320 0.002 0.000 0.210 432 A C 0.025 177.607 177.584 -0.002 0.000 1.168 432 A CA 0.730 52.747 52.037 -0.032 0.000 0.813 432 A CB 0.087 19.062 19.000 -0.042 0.000 0.861 432 A HN 0.607 nan 8.150 nan 0.000 0.481 433 D N 0.475 120.920 120.400 0.076 0.000 2.389 433 D HA 0.436 5.077 4.640 0.002 0.000 0.256 433 D C -2.953 173.417 176.300 0.117 0.000 1.239 433 D CA -1.902 52.151 54.000 0.089 0.000 0.925 433 D CB 1.425 42.294 40.800 0.115 0.000 1.145 433 D HN 0.029 nan 8.370 nan 0.000 0.542 434 P HA 0.382 nan 4.420 nan 0.000 0.276 434 P C 0.513 177.825 177.300 0.021 0.000 1.261 434 P CA -0.519 62.619 63.100 0.063 0.000 0.800 434 P CB 0.531 32.292 31.700 0.102 0.000 1.066 435 G N 0.100 108.809 108.800 -0.151 0.000 2.321 435 G HA2 0.112 4.073 3.960 0.002 0.000 0.237 435 G HA3 0.112 4.073 3.960 0.002 0.000 0.237 435 G C 1.122 176.095 174.900 0.121 0.000 1.282 435 G CA 0.194 45.063 45.100 -0.384 0.000 0.886 435 G HN 0.543 nan 8.290 nan 0.000 0.528 436 S N 0.887 116.753 115.700 0.277 0.000 2.537 436 S HA -0.106 4.365 4.470 0.002 0.000 0.240 436 S C 1.401 176.468 174.600 0.779 0.000 0.981 436 S CA 1.052 59.534 58.200 0.469 0.000 0.948 436 S CB 0.015 63.391 63.200 0.292 0.000 0.759 436 S HN 0.549 nan 8.310 nan 0.000 0.531 437 N N 0.627 119.810 118.700 0.805 0.000 2.291 437 N HA 0.195 4.937 4.740 0.002 0.000 0.244 437 N C 1.045 177.081 175.510 0.875 0.000 1.216 437 N CA -0.189 53.316 53.050 0.757 0.000 0.879 437 N CB 0.118 38.694 38.487 0.148 0.000 1.167 437 N HN 0.566 nan 8.380 nan 0.000 0.515 438 Q N -0.959 119.301 119.800 0.766 0.000 2.172 438 Q HA -0.056 4.285 4.340 0.002 0.000 0.200 438 Q C -0.241 176.126 176.000 0.611 0.000 0.964 438 Q CA 0.490 56.669 55.803 0.626 0.000 0.855 438 Q CB 0.052 29.029 28.738 0.399 0.000 0.918 438 Q HN 0.373 nan 8.270 nan 0.000 0.444 439 W N 1.004 122.544 121.300 0.400 0.000 2.469 439 W HA -0.012 4.649 4.660 0.002 0.000 0.321 439 W C 0.473 177.193 176.519 0.335 0.000 1.415 439 W CA -0.688 56.812 57.345 0.259 0.000 1.308 439 W CB -0.029 29.457 29.460 0.043 0.000 1.368 439 W HN 0.172 nan 8.180 nan 0.000 0.546 440 F N 5.179 125.096 119.950 -0.055 0.000 2.250 440 F HA -0.058 4.470 4.527 0.002 0.000 0.301 440 F C 2.008 177.524 175.800 -0.473 0.000 1.077 440 F CA 2.221 60.165 58.000 -0.093 0.000 1.348 440 F CB -0.484 38.477 39.000 -0.064 0.000 1.040 440 F HN 0.455 nan 8.300 nan 0.000 0.509 441 G N 0.207 108.028 108.800 -1.632 0.000 2.503 441 G HA2 -0.347 3.614 3.960 0.002 0.000 0.221 441 G HA3 -0.347 3.614 3.960 0.002 0.000 0.221 441 G C 1.691 175.688 174.900 -1.505 0.000 1.131 441 G CA 1.237 44.973 45.100 -2.273 0.000 0.756 441 G HN 0.489 nan 8.290 nan 0.000 0.572 442 F N 0.639 120.106 119.950 -0.804 0.000 2.216 442 F HA -0.113 4.415 4.527 0.002 0.000 0.300 442 F C 3.086 178.884 175.800 -0.003 0.000 1.085 442 F CA 0.986 58.834 58.000 -0.254 0.000 1.326 442 F CB 0.020 38.965 39.000 -0.091 0.000 1.027 442 F HN 0.089 nan 8.300 nan 0.000 0.497 443 Q N 0.514 120.440 119.800 0.211 0.000 2.030 443 Q HA -0.210 4.131 4.340 0.002 0.000 0.204 443 Q C 2.631 178.781 176.000 0.251 0.000 0.986 443 Q CA 1.683 57.720 55.803 0.390 0.000 0.843 443 Q CB -1.046 27.826 28.738 0.223 0.000 0.904 443 Q HN 0.460 nan 8.270 nan 0.000 0.420 444 A N 0.322 123.139 122.820 -0.005 0.000 1.877 444 A HA -0.178 4.143 4.320 0.002 0.000 0.216 444 A C 1.863 179.632 177.584 0.308 0.000 1.186 444 A CA 1.307 53.468 52.037 0.206 0.000 0.620 444 A CB -0.994 18.092 19.000 0.143 0.000 0.822 444 A HN 0.395 nan 8.150 nan 0.000 0.443 445 W N -0.032 121.311 121.300 0.071 0.000 2.358 445 W HA -0.057 4.604 4.660 0.002 0.000 0.303 445 W C 2.989 179.584 176.519 0.127 0.000 1.208 445 W CA 1.105 58.532 57.345 0.136 0.000 1.274 445 W CB -1.051 28.484 29.460 0.125 0.000 1.138 445 W HN 0.371 nan 8.180 nan 0.000 0.515 446 S N -1.185 114.735 115.700 0.365 0.000 2.404 446 S HA -0.058 4.413 4.470 0.002 0.000 0.223 446 S C 1.898 176.622 174.600 0.207 0.000 1.040 446 S CA 0.807 59.190 58.200 0.306 0.000 0.957 446 S CB -0.256 63.095 63.200 0.252 0.000 0.826 446 S HN -0.129 nan 8.310 nan 0.000 0.491 447 M N 1.643 121.246 119.600 0.005 0.000 2.296 447 M HA 0.012 4.494 4.480 0.002 0.000 0.265 447 M C 2.141 178.306 176.300 -0.225 0.000 1.064 447 M CA 0.998 56.054 55.300 -0.407 0.000 1.109 447 M CB -1.306 30.473 32.600 -1.369 0.000 1.396 447 M HN 0.418 nan 8.290 nan 0.000 0.430 448 Q N 1.119 120.913 119.800 -0.010 0.000 2.135 448 Q HA -0.174 4.167 4.340 0.002 0.000 0.204 448 Q C 1.880 177.922 176.000 0.071 0.000 0.981 448 Q CA 1.638 57.505 55.803 0.107 0.000 0.856 448 Q CB -0.096 28.793 28.738 0.251 0.000 0.902 448 Q HN 0.489 nan 8.270 nan 0.000 0.425 449 R N -0.788 119.747 120.500 0.058 0.000 2.090 449 R HA -0.027 4.314 4.340 0.002 0.000 0.228 449 R C 2.470 178.792 176.300 0.036 0.000 1.110 449 R CA 1.146 57.279 56.100 0.054 0.000 0.973 449 R CB -0.197 30.169 30.300 0.111 0.000 0.869 449 R HN 0.056 nan 8.270 nan 0.000 0.440 450 V N 1.055 120.921 119.914 -0.080 0.000 2.343 450 V HA -0.268 3.853 4.120 0.002 0.000 0.247 450 V C 2.291 178.415 176.094 0.050 0.000 1.051 450 V CA 1.520 63.749 62.300 -0.119 0.000 1.036 450 V CB -0.371 31.194 31.823 -0.429 0.000 0.654 450 V HN 0.259 nan 8.190 nan 0.000 0.451 451 M N -0.283 119.339 119.600 0.036 0.000 2.080 451 M HA -0.195 4.286 4.480 0.002 0.000 0.260 451 M C 2.151 178.523 176.300 0.121 0.000 1.068 451 M CA 1.604 56.993 55.300 0.148 0.000 1.109 451 M CB -1.409 31.296 32.600 0.176 0.000 1.342 451 M HN 0.437 nan 8.290 nan 0.000 0.405 452 E N -0.986 119.216 120.200 0.002 0.000 2.118 452 E HA -0.243 4.109 4.350 0.002 0.000 0.195 452 E C 1.996 178.532 176.600 -0.106 0.000 0.992 452 E CA 1.362 57.661 56.400 -0.169 0.000 0.804 452 E CB -0.399 28.938 29.700 -0.606 0.000 0.741 452 E HN 0.553 nan 8.360 nan 0.000 0.458 453 Y N 0.228 120.502 120.300 -0.043 0.000 2.181 453 Y HA -0.318 4.233 4.550 0.002 0.000 0.288 453 Y C 2.193 178.014 175.900 -0.131 0.000 1.146 453 Y CA 1.659 59.739 58.100 -0.034 0.000 1.164 453 Y CB -0.380 38.068 38.460 -0.020 0.000 0.982 453 Y HN 0.068 nan 8.280 nan 0.000 0.515 454 Y N 0.322 120.503 120.300 -0.198 0.000 2.145 454 Y HA -0.257 4.294 4.550 0.002 0.000 0.286 454 Y C 2.460 178.235 175.900 -0.209 0.000 1.145 454 Y CA 1.621 59.558 58.100 -0.272 0.000 1.148 454 Y CB -0.862 37.579 38.460 -0.032 0.000 0.981 454 Y HN 0.263 nan 8.280 nan 0.000 0.507 455 L N 0.103 121.274 121.223 -0.085 0.000 1.978 455 L HA -0.272 4.069 4.340 0.002 0.000 0.218 455 L C 2.054 178.999 176.870 0.125 0.000 1.075 455 L CA 2.284 57.130 54.840 0.010 0.000 0.767 455 L CB -0.409 41.659 42.059 0.014 0.000 0.890 455 L HN 0.287 nan 8.230 nan 0.000 0.434 456 E N -1.073 119.092 120.200 -0.058 0.000 2.435 456 E HA -0.085 4.267 4.350 0.002 0.000 0.195 456 E C 1.777 178.216 176.600 -0.268 0.000 1.029 456 E CA 1.336 57.694 56.400 -0.071 0.000 0.865 456 E CB 0.165 29.776 29.700 -0.148 0.000 0.833 456 E HN 0.698 nan 8.360 nan 0.000 0.510 457 T N -4.631 109.547 114.554 -0.626 0.000 2.987 457 T HA 0.287 4.638 4.350 0.002 0.000 0.248 457 T C 1.599 175.634 174.700 -1.107 0.000 0.997 457 T CA 0.637 62.288 62.100 -0.748 0.000 1.013 457 T CB 0.562 68.764 68.868 -1.109 0.000 1.077 457 T HN 0.123 nan 8.240 nan 0.000 0.483 458 G N 2.166 109.988 108.800 -1.631 0.000 2.153 458 G HA2 -0.243 3.718 3.960 0.002 0.000 0.252 458 G HA3 -0.243 3.718 3.960 0.002 0.000 0.252 458 G C -0.191 174.129 174.900 -0.966 0.000 0.994 458 G CA 0.219 43.836 45.100 -2.473 0.000 0.698 458 G HN 0.764 nan 8.290 nan 0.000 0.521 459 D N 0.937 121.014 120.400 -0.538 0.000 2.479 459 D HA 0.257 4.899 4.640 0.002 0.000 0.257 459 D C 1.868 178.196 176.300 0.047 0.000 1.230 459 D CA 0.752 54.656 54.000 -0.160 0.000 0.912 459 D CB 0.491 41.270 40.800 -0.036 0.000 1.130 459 D HN 0.439 nan 8.370 nan 0.000 0.515 460 S N 1.653 117.370 115.700 0.029 0.000 2.481 460 S HA -0.159 4.312 4.470 0.002 0.000 0.231 460 S C 1.802 176.432 174.600 0.049 0.000 0.996 460 S CA 0.745 58.985 58.200 0.067 0.000 0.942 460 S CB -0.276 62.962 63.200 0.062 0.000 0.768 460 S HN 0.417 nan 8.310 nan 0.000 0.520 461 S N 0.300 116.042 115.700 0.070 0.000 2.547 461 S HA 0.125 4.596 4.470 0.002 0.000 0.235 461 S C 1.283 175.923 174.600 0.066 0.000 0.980 461 S CA 0.485 58.736 58.200 0.085 0.000 0.941 461 S CB -0.206 63.063 63.200 0.116 0.000 0.763 461 S HN 0.363 nan 8.310 nan 0.000 0.532 462 V N 0.279 120.206 119.914 0.022 0.000 3.528 462 V HA 0.255 4.376 4.120 0.002 0.000 0.294 462 V C 1.900 177.890 176.094 -0.174 0.000 1.404 462 V CA 0.069 62.346 62.300 -0.038 0.000 1.065 462 V CB 0.066 31.923 31.823 0.056 0.000 0.904 462 V HN 0.366 nan 8.190 nan 0.000 0.435 463 K N 0.608 120.891 120.400 -0.194 0.000 2.026 463 K HA -0.155 4.166 4.320 0.002 0.000 0.208 463 K C 1.870 178.414 176.600 -0.094 0.000 1.048 463 K CA 1.826 57.980 56.287 -0.221 0.000 0.929 463 K CB -0.139 32.297 32.500 -0.106 0.000 0.713 463 K HN 0.385 nan 8.250 nan 0.000 0.439 464 N N 1.248 119.929 118.700 -0.032 0.000 2.120 464 N HA -0.163 4.578 4.740 0.002 0.000 0.188 464 N C 1.774 177.261 175.510 -0.039 0.000 1.024 464 N CA 0.805 53.857 53.050 0.004 0.000 0.852 464 N CB -0.400 38.120 38.487 0.056 0.000 1.003 464 N HN 0.069 nan 8.380 nan 0.000 0.424 465 L N 1.185 122.352 121.223 -0.094 0.000 1.990 465 L HA -0.099 4.242 4.340 0.002 0.000 0.213 465 L C 1.974 178.804 176.870 -0.067 0.000 1.072 465 L CA 1.529 56.289 54.840 -0.135 0.000 0.755 465 L CB -0.649 41.317 42.059 -0.154 0.000 0.889 465 L HN 0.092 nan 8.230 nan 0.000 0.432 466 I N -0.568 119.941 120.570 -0.103 0.000 2.202 466 I HA -0.262 3.909 4.170 0.002 0.000 0.242 466 I C 2.453 178.528 176.117 -0.069 0.000 1.091 466 I CA 1.174 62.417 61.300 -0.096 0.000 1.368 466 I CB -0.440 37.449 38.000 -0.186 0.000 1.058 466 I HN 0.258 nan 8.210 nan 0.000 0.410 467 K N 0.828 121.194 120.400 -0.056 0.000 2.026 467 K HA -0.239 4.082 4.320 0.002 0.000 0.208 467 K C 2.082 178.706 176.600 0.040 0.000 1.048 467 K CA 1.365 57.644 56.287 -0.014 0.000 0.929 467 K CB -0.471 32.062 32.500 0.056 0.000 0.713 467 K HN 0.287 nan 8.250 nan 0.000 0.439 468 K N -0.159 120.283 120.400 0.070 0.000 2.147 468 K HA -0.184 4.137 4.320 0.002 0.000 0.205 468 K C 1.998 178.698 176.600 0.167 0.000 1.049 468 K CA 1.195 57.545 56.287 0.104 0.000 0.936 468 K CB -0.175 32.379 32.500 0.091 0.000 0.722 468 K HN 0.192 nan 8.250 nan 0.000 0.446 469 W N 0.438 121.744 121.300 0.010 0.000 2.409 469 W HA -0.138 4.524 4.660 0.002 0.000 0.299 469 W C 1.526 178.135 176.519 0.150 0.000 1.203 469 W CA 0.858 58.267 57.345 0.107 0.000 1.298 469 W CB -0.142 29.348 29.460 0.051 0.000 1.127 469 W HN -0.208 nan 8.180 nan 0.000 0.528 470 V N 1.089 121.089 119.914 0.143 0.000 2.343 470 V HA -0.306 3.816 4.120 0.002 0.000 0.247 470 V C 2.044 178.086 176.094 -0.086 0.000 1.051 470 V CA 2.351 64.614 62.300 -0.062 0.000 1.036 470 V CB -0.893 30.791 31.823 -0.232 0.000 0.654 470 V HN 0.073 nan 8.190 nan 0.000 0.451 471 D N -1.122 119.277 120.400 -0.003 0.000 2.104 471 D HA -0.235 4.406 4.640 0.002 0.000 0.194 471 D C 1.686 177.995 176.300 0.015 0.000 0.994 471 D CA 1.580 55.592 54.000 0.019 0.000 0.830 471 D CB -0.312 40.525 40.800 0.062 0.000 0.959 471 D HN 0.645 nan 8.370 nan 0.000 0.452 472 W N 1.776 122.974 121.300 -0.170 0.000 2.332 472 W HA -0.214 4.448 4.660 0.002 0.000 0.321 472 W C 2.242 178.610 176.519 -0.251 0.000 1.219 472 W CA 1.180 58.409 57.345 -0.193 0.000 1.277 472 W CB -0.742 28.593 29.460 -0.208 0.000 1.161 472 W HN -0.223 nan 8.180 nan 0.000 0.476 473 V N 1.385 120.981 119.914 -0.529 0.000 2.392 473 V HA -0.359 3.763 4.120 0.002 0.000 0.249 473 V C 2.400 178.233 176.094 -0.436 0.000 1.059 473 V CA 2.084 63.955 62.300 -0.715 0.000 1.051 473 V CB -0.752 30.567 31.823 -0.840 0.000 0.658 473 V HN 0.208 nan 8.190 nan 0.000 0.455 474 M N 0.243 119.677 119.600 -0.277 0.000 2.229 474 M HA -0.091 4.390 4.480 0.002 0.000 0.264 474 M C 2.404 178.600 176.300 -0.172 0.000 1.063 474 M CA 2.098 57.297 55.300 -0.169 0.000 1.114 474 M CB -1.332 31.216 32.600 -0.087 0.000 1.387 474 M HN 0.629 nan 8.290 nan 0.000 0.420 475 S N -0.766 114.816 115.700 -0.197 0.000 2.561 475 S HA -0.001 4.470 4.470 0.002 0.000 0.225 475 S C 1.418 175.882 174.600 -0.225 0.000 0.977 475 S CA 0.572 58.674 58.200 -0.165 0.000 0.926 475 S CB -0.001 63.137 63.200 -0.103 0.000 0.769 475 S HN 0.417 nan 8.310 nan 0.000 0.533 476 E N 0.383 120.378 120.200 -0.342 0.000 2.490 476 E HA 0.346 4.697 4.350 0.002 0.000 0.209 476 E C 0.060 176.513 176.600 -0.244 0.000 0.971 476 E CA -0.155 56.045 56.400 -0.333 0.000 0.988 476 E CB 0.422 29.745 29.700 -0.627 0.000 1.029 476 E HN 0.575 nan 8.360 nan 0.000 0.496 477 I N 2.893 123.316 120.570 -0.245 0.000 2.598 477 I HA -0.033 4.138 4.170 0.002 0.000 0.284 477 I C 0.352 176.348 176.117 -0.201 0.000 1.140 477 I CA 0.256 61.453 61.300 -0.171 0.000 1.420 477 I CB 0.345 38.270 38.000 -0.125 0.000 1.387 477 I HN -0.454 nan 8.210 nan 0.000 0.553 478 K N 8.263 128.514 120.400 -0.247 0.000 2.281 478 K HA 0.515 4.837 4.320 0.002 0.000 0.272 478 K C -0.709 175.535 176.600 -0.593 0.000 1.048 478 K CA -0.358 55.630 56.287 -0.499 0.000 0.898 478 K CB 1.007 33.092 32.500 -0.692 0.000 1.128 478 K HN 0.491 nan 8.250 nan 0.000 0.460 479 L N 4.042 124.979 121.223 -0.476 0.000 2.309 479 L HA 0.485 4.826 4.340 0.002 0.000 0.282 479 L C -0.345 176.315 176.870 -0.350 0.000 1.036 479 L CA -1.002 53.641 54.840 -0.328 0.000 0.806 479 L CB 0.572 42.554 42.059 -0.128 0.000 1.220 479 L HN 0.452 nan 8.230 nan 0.000 0.429 480 Y N -0.522 119.807 120.300 0.048 0.000 2.485 480 Y HA 0.119 4.671 4.550 0.002 0.000 0.345 480 Y C 0.724 176.637 175.900 0.022 0.000 0.998 480 Y CA -1.043 57.069 58.100 0.019 0.000 1.059 480 Y CB 1.730 40.199 38.460 0.015 0.000 1.234 480 Y HN 0.735 nan 8.280 nan 0.000 0.461 481 D N -1.490 119.021 120.400 0.184 0.000 2.310 481 D HA -0.197 4.444 4.640 0.002 0.000 0.212 481 D C 0.745 177.091 176.300 0.077 0.000 0.965 481 D CA 1.291 55.345 54.000 0.089 0.000 0.879 481 D CB -0.065 40.767 40.800 0.054 0.000 0.921 481 D HN 0.600 nan 8.370 nan 0.000 0.510 482 D N -0.854 119.607 120.400 0.101 0.000 2.328 482 D HA 0.119 4.761 4.640 0.002 0.000 0.226 482 D C 1.733 178.107 176.300 0.123 0.000 1.066 482 D CA 0.376 54.425 54.000 0.082 0.000 0.861 482 D CB -0.131 40.701 40.800 0.052 0.000 0.912 482 D HN 0.349 nan 8.370 nan 0.000 0.521 483 G N -0.079 108.808 108.800 0.144 0.000 2.175 483 G HA2 -0.271 3.690 3.960 0.002 0.000 0.244 483 G HA3 -0.271 3.690 3.960 0.002 0.000 0.244 483 G C 0.532 175.600 174.900 0.279 0.000 0.982 483 G CA 0.578 45.776 45.100 0.164 0.000 0.641 483 G HN 0.790 nan 8.290 nan 0.000 0.527 484 T N -1.186 113.556 114.554 0.313 0.000 2.852 484 T HA 0.838 5.189 4.350 0.002 0.000 0.281 484 T C -0.026 174.971 174.700 0.495 0.000 0.993 484 T CA -0.030 62.320 62.100 0.416 0.000 0.933 484 T CB 2.060 71.111 68.868 0.305 0.000 1.187 484 T HN 1.607 nan 8.240 nan 0.000 0.559 485 F N -2.047 118.050 119.950 0.245 0.000 2.686 485 F HA 0.846 5.374 4.527 0.002 0.000 0.311 485 F C -1.281 174.588 175.800 0.115 0.000 1.128 485 F CA -1.470 56.547 58.000 0.029 0.000 0.946 485 F CB 1.005 40.019 39.000 0.024 0.000 1.336 485 F HN 0.928 nan 8.300 nan 0.000 0.457 486 A N 2.008 124.690 122.820 -0.230 0.000 2.539 486 A HA 0.889 5.210 4.320 0.002 0.000 0.296 486 A C -1.290 176.288 177.584 -0.011 0.000 1.073 486 A CA -0.721 51.173 52.037 -0.239 0.000 0.700 486 A CB 1.675 20.656 19.000 -0.030 0.000 1.296 486 A HN 1.314 nan 8.150 nan 0.000 0.405 487 I N -1.853 118.732 120.570 0.025 0.000 3.042 487 I HA 0.703 4.875 4.170 0.002 0.000 0.310 487 I C -2.908 173.111 176.117 -0.164 0.000 1.117 487 I CA -3.158 58.123 61.300 -0.033 0.000 1.003 487 I CB 2.158 40.163 38.000 0.008 0.000 1.228 487 I HN 0.228 nan 8.210 nan 0.000 0.443 488 P HA 0.032 nan 4.420 nan 0.000 0.264 488 P C -0.179 176.817 177.300 -0.506 0.000 1.183 488 P CA 0.344 62.915 63.100 -0.883 0.000 0.763 488 P CB 0.983 31.853 31.700 -1.383 0.000 0.807 489 S N 1.299 116.830 115.700 -0.282 0.000 2.979 489 S HA 0.106 4.577 4.470 0.002 0.000 0.243 489 S C 0.025 174.708 174.600 0.139 0.000 1.036 489 S CA 0.221 58.426 58.200 0.009 0.000 0.846 489 S CB 0.063 63.276 63.200 0.022 0.000 0.806 489 S HN 0.383 nan 8.310 nan 0.000 0.568 490 D N 1.260 121.688 120.400 0.047 0.000 2.256 490 D HA 0.570 5.211 4.640 0.002 0.000 0.246 490 D C -1.318 175.032 176.300 0.082 0.000 1.042 490 D CA -0.241 53.837 54.000 0.130 0.000 0.841 490 D CB 1.740 42.595 40.800 0.092 0.000 1.223 490 D HN 0.118 nan 8.370 nan 0.000 0.470 491 L N 1.433 122.770 121.223 0.190 0.000 2.362 491 L HA 0.416 4.757 4.340 0.002 0.000 0.271 491 L C -0.004 176.897 176.870 0.051 0.000 1.002 491 L CA -0.732 54.156 54.840 0.079 0.000 0.818 491 L CB 1.656 43.841 42.059 0.210 0.000 1.298 491 L HN 0.373 nan 8.230 nan 0.000 0.420 492 E N 1.818 121.935 120.200 -0.137 0.000 2.199 492 E HA 0.413 4.764 4.350 0.002 0.000 0.265 492 E C -1.708 174.776 176.600 -0.193 0.000 0.882 492 E CA -0.529 55.859 56.400 -0.020 0.000 0.759 492 E CB 0.981 30.702 29.700 0.034 0.000 1.148 492 E HN 0.445 nan 8.360 nan 0.000 0.412 493 W N 2.437 123.819 121.300 0.137 0.000 2.578 493 W HA 0.522 5.183 4.660 0.002 0.000 0.346 493 W C -0.270 176.298 176.519 0.082 0.000 1.075 493 W CA -0.361 57.027 57.345 0.071 0.000 1.233 493 W CB 2.006 31.458 29.460 -0.014 0.000 1.358 493 W HN 0.525 nan 8.180 nan 0.000 0.574 494 S N 0.991 116.881 115.700 0.317 0.000 2.550 494 S HA 0.856 5.328 4.470 0.002 0.000 0.270 494 S C -0.220 174.485 174.600 0.174 0.000 1.145 494 S CA -0.370 57.965 58.200 0.226 0.000 0.852 494 S CB 1.310 64.619 63.200 0.181 0.000 1.119 494 S HN 1.692 nan 8.310 nan 0.000 0.465 495 G N 1.224 110.103 108.800 0.131 0.000 2.632 495 G HA2 0.042 4.003 3.960 0.002 0.000 0.224 495 G HA3 0.042 4.003 3.960 0.002 0.000 0.224 495 G C -1.199 173.694 174.900 -0.013 0.000 1.341 495 G CA -0.281 44.847 45.100 0.047 0.000 0.880 495 G HN 1.006 nan 8.290 nan 0.000 0.566 496 Q N 0.171 119.868 119.800 -0.172 0.000 2.379 496 Q HA 0.509 4.851 4.340 0.002 0.000 0.278 496 Q C -2.522 173.168 176.000 -0.517 0.000 1.068 496 Q CA -1.698 53.846 55.803 -0.430 0.000 0.816 496 Q CB 3.366 31.996 28.738 -0.180 0.000 1.387 496 Q HN 0.567 nan 8.270 nan 0.000 0.413 497 P HA -0.019 nan 4.420 nan 0.000 0.272 497 P C -0.829 176.329 177.300 -0.238 0.000 1.230 497 P CA -0.108 62.635 63.100 -0.595 0.000 0.788 497 P CB 0.635 31.665 31.700 -1.118 0.000 0.949 498 D N 0.294 120.656 120.400 -0.063 0.000 2.382 498 D HA 0.054 4.696 4.640 0.002 0.000 0.240 498 D C 0.351 176.864 176.300 0.354 0.000 1.146 498 D CA 0.477 54.530 54.000 0.089 0.000 0.897 498 D CB 0.080 40.909 40.800 0.048 0.000 1.197 498 D HN 0.229 nan 8.370 nan 0.000 0.432 499 T N 1.557 116.296 114.554 0.308 0.000 2.933 499 T HA -0.117 4.234 4.350 0.002 0.000 0.306 499 T C 0.290 175.215 174.700 0.375 0.000 1.045 499 T CA -0.044 62.275 62.100 0.365 0.000 1.143 499 T CB 0.269 69.237 68.868 0.167 0.000 1.003 499 T HN 0.253 nan 8.240 nan 0.000 0.540 500 W N 3.331 124.668 121.300 0.063 0.000 2.381 500 W HA 0.106 4.767 4.660 0.002 0.000 0.321 500 W C 0.244 176.695 176.519 -0.114 0.000 1.407 500 W CA -0.181 57.152 57.345 -0.020 0.000 1.274 500 W CB 0.480 29.798 29.460 -0.236 0.000 1.310 500 W HN 0.584 nan 8.180 nan 0.000 0.551 501 T N 3.615 117.841 114.554 -0.547 0.000 3.145 501 T HA 0.192 4.543 4.350 0.002 0.000 0.281 501 T C 0.958 175.186 174.700 -0.787 0.000 1.003 501 T CA 0.545 62.333 62.100 -0.520 0.000 0.901 501 T CB -0.081 68.620 68.868 -0.278 0.000 1.112 501 T HN 0.820 nan 8.240 nan 0.000 0.535 502 G N 1.634 109.472 108.800 -1.604 0.000 2.141 502 G HA2 -0.194 3.768 3.960 0.002 0.000 0.231 502 G HA3 -0.194 3.768 3.960 0.002 0.000 0.231 502 G C 0.102 174.468 174.900 -0.891 0.000 0.984 502 G CA 0.167 44.552 45.100 -1.192 0.000 0.660 502 G HN 0.578 nan 8.290 nan 0.000 0.525 503 T N -0.845 113.045 114.554 -1.107 0.000 3.097 503 T HA 0.397 4.748 4.350 0.002 0.000 0.332 503 T C -1.149 173.496 174.700 -0.091 0.000 1.269 503 T CA -0.672 61.211 62.100 -0.361 0.000 1.076 503 T CB 1.870 70.625 68.868 -0.188 0.000 1.209 503 T HN 0.557 nan 8.240 nan 0.000 0.474 504 Y N 3.334 123.736 120.300 0.170 0.000 2.605 504 Y HA 0.244 4.795 4.550 0.002 0.000 0.336 504 Y C 1.804 177.778 175.900 0.123 0.000 1.111 504 Y CA -0.133 58.143 58.100 0.294 0.000 1.422 504 Y CB 0.596 39.214 38.460 0.265 0.000 1.193 504 Y HN 0.832 nan 8.280 nan 0.000 0.526 505 T N 1.139 115.539 114.554 -0.256 0.000 3.113 505 T HA 0.239 4.590 4.350 0.002 0.000 0.256 505 T C 1.495 175.854 174.700 -0.570 0.000 1.131 505 T CA 0.572 62.483 62.100 -0.316 0.000 1.074 505 T CB -0.329 68.432 68.868 -0.179 0.000 0.944 505 T HN 1.199 nan 8.240 nan 0.000 0.516 506 G N 1.851 109.844 108.800 -1.345 0.000 2.234 506 G HA2 -0.305 3.656 3.960 0.002 0.000 0.235 506 G HA3 -0.305 3.656 3.960 0.002 0.000 0.235 506 G C 0.248 174.815 174.900 -0.555 0.000 0.997 506 G CA -0.119 44.402 45.100 -0.966 0.000 0.623 506 G HN 0.617 nan 8.290 nan 0.000 0.514 507 N N -0.278 118.159 118.700 -0.438 0.000 2.669 507 N HA -0.144 4.597 4.740 0.002 0.000 0.266 507 N C -1.062 174.305 175.510 -0.238 0.000 1.024 507 N CA 1.332 54.229 53.050 -0.254 0.000 0.766 507 N CB -0.476 37.893 38.487 -0.197 0.000 0.898 507 N HN 0.495 nan 8.380 nan 0.000 0.548 508 P HA -0.089 nan 4.420 nan 0.000 0.226 508 P C 0.304 177.471 177.300 -0.220 0.000 1.153 508 P CA 1.210 64.222 63.100 -0.147 0.000 0.777 508 P CB 0.161 31.814 31.700 -0.079 0.000 0.794 509 N N -1.030 117.518 118.700 -0.252 0.000 2.230 509 N HA 0.123 4.865 4.740 0.002 0.000 0.202 509 N C -0.181 175.087 175.510 -0.403 0.000 1.119 509 N CA -0.281 52.618 53.050 -0.252 0.000 0.851 509 N CB 0.091 38.519 38.487 -0.098 0.000 0.990 509 N HN 0.041 nan 8.380 nan 0.000 0.497 510 L N 1.515 122.409 121.223 -0.549 0.000 2.298 510 L HA 0.380 4.721 4.340 0.002 0.000 0.284 510 L C -1.225 175.356 176.870 -0.480 0.000 1.013 510 L CA -0.632 53.962 54.840 -0.410 0.000 0.824 510 L CB 0.291 42.141 42.059 -0.349 0.000 1.221 510 L HN 0.111 nan 8.230 nan 0.000 0.418 511 H N 3.747 122.832 119.070 0.026 0.000 2.637 511 H HA 0.629 5.186 4.556 0.002 0.000 0.363 511 H C -1.138 174.126 175.328 -0.106 0.000 1.131 511 H CA -0.620 55.407 56.048 -0.035 0.000 1.183 511 H CB 2.558 32.301 29.762 -0.031 0.000 1.637 511 H HN 0.447 nan 8.280 nan 0.000 0.531 512 V N 3.051 122.855 119.914 -0.183 0.000 2.656 512 V HA 0.517 4.638 4.120 0.002 0.000 0.307 512 V C -0.692 175.249 176.094 -0.255 0.000 1.051 512 V CA -0.705 61.233 62.300 -0.603 0.000 0.893 512 V CB 2.294 33.313 31.823 -1.340 0.000 0.999 512 V HN 0.803 nan 8.190 nan 0.000 0.426 513 R N 4.760 125.119 120.500 -0.234 0.000 2.561 513 R HA 0.688 5.029 4.340 0.002 0.000 0.297 513 R C -1.664 174.581 176.300 -0.091 0.000 0.969 513 R CA -0.580 55.471 56.100 -0.081 0.000 0.879 513 R CB 2.166 32.434 30.300 -0.053 0.000 1.178 513 R HN 0.602 nan 8.270 nan 0.000 0.445 514 V N 4.106 123.985 119.914 -0.059 0.000 2.479 514 V HA 0.061 4.182 4.120 0.002 0.000 0.281 514 V C 1.355 177.340 176.094 -0.183 0.000 1.031 514 V CA 0.299 62.482 62.300 -0.195 0.000 1.038 514 V CB 1.063 32.632 31.823 -0.424 0.000 0.981 514 V HN 1.032 nan 8.190 nan 0.000 0.478 515 T N -0.361 114.101 114.554 -0.153 0.000 3.040 515 T HA 0.236 4.587 4.350 0.002 0.000 0.250 515 T C 0.516 175.172 174.700 -0.072 0.000 1.058 515 T CA 0.399 62.457 62.100 -0.071 0.000 0.988 515 T CB 0.142 69.004 68.868 -0.010 0.000 0.993 515 T HN 0.818 nan 8.240 nan 0.000 0.519 516 S N -0.439 115.140 115.700 -0.201 0.000 2.565 516 S HA 0.705 5.177 4.470 0.002 0.000 0.269 516 S C -2.026 172.357 174.600 -0.362 0.000 1.153 516 S CA -1.073 57.055 58.200 -0.120 0.000 0.835 516 S CB 1.143 64.338 63.200 -0.008 0.000 1.122 516 S HN 0.221 nan 8.310 nan 0.000 0.462 517 Y N -0.392 119.884 120.300 -0.039 0.000 2.570 517 Y HA 0.881 5.432 4.550 0.002 0.000 0.345 517 Y C 0.888 176.754 175.900 -0.057 0.000 1.014 517 Y CA 0.010 58.063 58.100 -0.077 0.000 1.063 517 Y CB 2.440 40.851 38.460 -0.082 0.000 1.272 517 Y HN 1.246 nan 8.280 nan 0.000 0.477 518 G N -0.643 108.198 108.800 0.068 0.000 2.772 518 G HA2 0.414 4.375 3.960 0.002 0.000 0.284 518 G HA3 0.414 4.375 3.960 0.002 0.000 0.284 518 G C -0.897 173.936 174.900 -0.112 0.000 1.217 518 G CA -0.504 44.596 45.100 -0.000 0.000 0.831 518 G HN 0.404 nan 8.290 nan 0.000 0.523 519 T N 0.573 115.038 114.554 -0.148 0.000 3.604 519 T HA 0.215 4.567 4.350 0.002 0.000 0.305 519 T C -0.632 173.907 174.700 -0.267 0.000 0.978 519 T CA -0.290 61.602 62.100 -0.347 0.000 0.999 519 T CB -0.360 68.308 68.868 -0.333 0.000 1.204 519 T HN 0.437 nan 8.240 nan 0.000 0.476 520 D N 1.932 122.278 120.400 -0.090 0.000 2.412 520 D HA 0.045 4.687 4.640 0.002 0.000 0.257 520 D C 1.407 177.587 176.300 -0.199 0.000 1.217 520 D CA 0.120 54.068 54.000 -0.086 0.000 0.897 520 D CB 0.778 41.634 40.800 0.094 0.000 1.132 520 D HN 0.404 nan 8.370 nan 0.000 0.493 521 L N 3.702 124.670 121.223 -0.425 0.000 2.056 521 L HA -0.041 4.300 4.340 0.002 0.000 0.207 521 L C 2.585 179.209 176.870 -0.411 0.000 1.078 521 L CA 1.162 55.788 54.840 -0.356 0.000 0.749 521 L CB -0.405 41.485 42.059 -0.281 0.000 0.901 521 L HN 0.491 nan 8.230 nan 0.000 0.433 522 G N -0.123 108.076 108.800 -1.001 0.000 2.418 522 G HA2 -0.178 3.783 3.960 0.002 0.000 0.217 522 G HA3 -0.178 3.783 3.960 0.002 0.000 0.217 522 G C 1.582 176.586 174.900 0.173 0.000 1.158 522 G CA 0.939 45.739 45.100 -0.500 0.000 0.771 522 G HN 0.186 nan 8.290 nan 0.000 0.545 523 V N 1.573 121.564 119.914 0.128 0.000 2.358 523 V HA -0.094 4.027 4.120 0.002 0.000 0.246 523 V C 3.317 179.543 176.094 0.220 0.000 1.047 523 V CA 1.849 64.281 62.300 0.221 0.000 1.035 523 V CB -0.907 31.012 31.823 0.159 0.000 0.658 523 V HN 0.471 nan 8.190 nan 0.000 0.452 524 A N 0.845 123.757 122.820 0.155 0.000 1.883 524 A HA -0.149 4.172 4.320 0.002 0.000 0.217 524 A C 2.436 180.089 177.584 0.114 0.000 1.186 524 A CA 2.202 54.326 52.037 0.145 0.000 0.624 524 A CB -1.328 17.741 19.000 0.116 0.000 0.822 524 A HN 0.525 nan 8.150 nan 0.000 0.444 525 G N -1.115 107.751 108.800 0.110 0.000 2.421 525 G HA2 -0.203 3.758 3.960 0.002 0.000 0.216 525 G HA3 -0.203 3.758 3.960 0.002 0.000 0.216 525 G C 1.957 176.974 174.900 0.194 0.000 1.171 525 G CA 1.537 46.709 45.100 0.121 0.000 0.775 525 G HN 0.591 nan 8.290 nan 0.000 0.543 526 S N -0.184 115.706 115.700 0.316 0.000 2.368 526 S HA -0.098 4.373 4.470 0.002 0.000 0.225 526 S C 2.339 177.145 174.600 0.342 0.000 1.030 526 S CA 1.415 59.860 58.200 0.409 0.000 0.999 526 S CB -0.289 63.294 63.200 0.640 0.000 0.844 526 S HN 0.198 nan 8.310 nan 0.000 0.459 527 L N 1.885 123.295 121.223 0.311 0.000 2.046 527 L HA 0.115 4.456 4.340 0.002 0.000 0.208 527 L C 2.552 179.564 176.870 0.237 0.000 1.077 527 L CA 2.072 57.101 54.840 0.316 0.000 0.747 527 L CB -1.367 40.880 42.059 0.314 0.000 0.896 527 L HN 0.336 nan 8.230 nan 0.000 0.432 528 A N -0.326 122.589 122.820 0.158 0.000 1.883 528 A HA -0.299 4.023 4.320 0.002 0.000 0.217 528 A C 2.247 179.907 177.584 0.126 0.000 1.186 528 A CA 1.961 54.054 52.037 0.094 0.000 0.624 528 A CB -1.044 17.971 19.000 0.025 0.000 0.822 528 A HN 0.630 nan 8.150 nan 0.000 0.444 529 N N 0.641 119.430 118.700 0.148 0.000 2.036 529 N HA -0.181 4.561 4.740 0.002 0.000 0.195 529 N C 1.869 177.505 175.510 0.210 0.000 1.037 529 N CA 2.272 55.417 53.050 0.159 0.000 0.855 529 N CB -0.614 37.971 38.487 0.162 0.000 1.033 529 N HN 0.381 nan 8.380 nan 0.000 0.423 530 A N 1.463 124.440 122.820 0.261 0.000 1.859 530 A HA -0.144 4.177 4.320 0.002 0.000 0.217 530 A C 2.645 180.423 177.584 0.323 0.000 1.198 530 A CA 1.679 53.892 52.037 0.293 0.000 0.629 530 A CB -1.092 18.137 19.000 0.382 0.000 0.830 530 A HN 0.399 nan 8.150 nan 0.000 0.446 531 L N -1.018 120.390 121.223 0.307 0.000 2.042 531 L HA -0.236 4.105 4.340 0.002 0.000 0.210 531 L C 3.105 180.146 176.870 0.286 0.000 1.076 531 L CA 1.258 56.281 54.840 0.304 0.000 0.749 531 L CB -0.612 41.567 42.059 0.199 0.000 0.893 531 L HN 0.480 nan 8.230 nan 0.000 0.432 532 A N -0.642 122.305 122.820 0.212 0.000 1.872 532 A HA -0.166 4.155 4.320 0.002 0.000 0.214 532 A C 2.364 180.108 177.584 0.267 0.000 1.187 532 A CA 2.110 54.289 52.037 0.238 0.000 0.614 532 A CB -0.889 18.241 19.000 0.218 0.000 0.826 532 A HN 0.353 nan 8.150 nan 0.000 0.442 533 T N -1.202 113.468 114.554 0.193 0.000 2.720 533 T HA -0.208 4.143 4.350 0.002 0.000 0.268 533 T C 1.785 176.554 174.700 0.115 0.000 1.037 533 T CA 1.854 63.997 62.100 0.071 0.000 1.144 533 T CB -0.466 68.457 68.868 0.091 0.000 0.864 533 T HN 0.594 nan 8.240 nan 0.000 0.444 534 Y N 2.299 122.680 120.300 0.136 0.000 2.128 534 Y HA -0.080 4.471 4.550 0.002 0.000 0.284 534 Y C 2.490 178.506 175.900 0.193 0.000 1.154 534 Y CA 0.945 59.159 58.100 0.189 0.000 1.149 534 Y CB -1.006 37.580 38.460 0.209 0.000 0.976 534 Y HN 0.172 nan 8.280 nan 0.000 0.505 535 A N 1.029 123.816 122.820 -0.055 0.000 1.873 535 A HA -0.208 4.113 4.320 0.002 0.000 0.218 535 A C 2.514 180.131 177.584 0.056 0.000 1.193 535 A CA 2.617 54.621 52.037 -0.054 0.000 0.629 535 A CB -1.712 17.360 19.000 0.119 0.000 0.826 535 A HN 0.707 nan 8.150 nan 0.000 0.447 536 A N -0.345 122.530 122.820 0.091 0.000 1.940 536 A HA 0.085 4.406 4.320 0.002 0.000 0.219 536 A C 2.506 179.967 177.584 -0.205 0.000 1.176 536 A CA 2.388 54.315 52.037 -0.183 0.000 0.631 536 A CB -1.040 17.566 19.000 -0.657 0.000 0.814 536 A HN 1.176 nan 8.150 nan 0.000 0.446 537 A N -0.258 122.474 122.820 -0.146 0.000 1.902 537 A HA -0.107 4.214 4.320 0.002 0.000 0.217 537 A C 2.449 180.028 177.584 -0.008 0.000 1.181 537 A CA 2.550 54.553 52.037 -0.056 0.000 0.623 537 A CB -1.473 17.591 19.000 0.108 0.000 0.818 537 A HN 0.819 nan 8.150 nan 0.000 0.443 538 T N -2.075 112.434 114.554 -0.074 0.000 2.788 538 T HA -0.186 4.165 4.350 0.002 0.000 0.268 538 T C 1.715 176.404 174.700 -0.018 0.000 1.044 538 T CA 1.605 63.695 62.100 -0.017 0.000 1.139 538 T CB -0.327 68.457 68.868 -0.141 0.000 0.867 538 T HN 0.622 nan 8.240 nan 0.000 0.454 539 E N 1.017 121.181 120.200 -0.060 0.000 2.047 539 E HA -0.143 4.208 4.350 0.002 0.000 0.191 539 E C 2.553 179.059 176.600 -0.155 0.000 0.987 539 E CA 0.728 57.088 56.400 -0.066 0.000 0.799 539 E CB -0.102 29.572 29.700 -0.044 0.000 0.752 539 E HN 0.547 nan 8.360 nan 0.000 0.449 540 R N -0.716 119.614 120.500 -0.283 0.000 2.066 540 R HA -0.140 4.201 4.340 0.002 0.000 0.232 540 R C 1.506 177.414 176.300 -0.654 0.000 1.131 540 R CA 1.939 57.696 56.100 -0.572 0.000 0.955 540 R CB -0.153 29.651 30.300 -0.827 0.000 0.851 540 R HN 0.246 nan 8.270 nan 0.000 0.432 541 W N 0.149 121.368 121.300 -0.135 0.000 2.808 541 W HA 0.269 4.930 4.660 0.002 0.000 0.266 541 W C 0.430 176.938 176.519 -0.018 0.000 1.247 541 W CA -0.588 56.692 57.345 -0.108 0.000 1.440 541 W CB 0.535 29.859 29.460 -0.228 0.000 1.040 541 W HN 0.024 nan 8.180 nan 0.000 0.606 542 E N -0.434 119.878 120.200 0.186 0.000 2.446 542 E HA 0.362 4.713 4.350 0.002 0.000 0.251 542 E C 1.471 178.127 176.600 0.094 0.000 1.087 542 E CA -0.154 56.346 56.400 0.167 0.000 0.937 542 E CB 0.675 30.486 29.700 0.185 0.000 1.254 542 E HN -0.058 nan 8.360 nan 0.000 0.479 543 G N 0.627 109.481 108.800 0.089 0.000 2.440 543 G HA2 -0.231 3.730 3.960 0.002 0.000 0.218 543 G HA3 -0.231 3.730 3.960 0.002 0.000 0.218 543 G C 0.323 175.250 174.900 0.046 0.000 1.154 543 G CA 1.212 46.349 45.100 0.062 0.000 0.767 543 G HN 0.424 nan 8.290 nan 0.000 0.552 544 K N -1.110 119.320 120.400 0.050 0.000 2.512 544 K HA 0.571 4.892 4.320 0.002 0.000 0.263 544 K C -1.279 175.342 176.600 0.035 0.000 0.966 544 K CA -1.202 55.108 56.287 0.039 0.000 0.851 544 K CB 1.823 34.347 32.500 0.041 0.000 1.395 544 K HN 0.003 nan 8.250 nan 0.000 0.440 545 L N 2.014 123.257 121.223 0.033 0.000 2.499 545 L HA 0.096 4.437 4.340 0.002 0.000 0.273 545 L C -0.138 176.746 176.870 0.025 0.000 1.195 545 L CA 0.607 55.469 54.840 0.037 0.000 0.882 545 L CB 0.259 42.364 42.059 0.076 0.000 1.133 545 L HN 0.707 nan 8.230 nan 0.000 0.483 546 D N 3.643 124.039 120.400 -0.006 0.000 2.455 546 D HA -0.007 4.634 4.640 0.002 0.000 0.234 546 D C 0.941 177.247 176.300 0.009 0.000 1.224 546 D CA 0.229 54.239 54.000 0.017 0.000 0.999 546 D CB 0.768 41.588 40.800 0.033 0.000 1.072 546 D HN 0.809 nan 8.370 nan 0.000 0.514 547 T N 2.676 117.233 114.554 0.004 0.000 2.699 547 T HA -0.183 4.168 4.350 0.002 0.000 0.268 547 T C 1.800 176.478 174.700 -0.037 0.000 1.036 547 T CA 1.230 63.313 62.100 -0.030 0.000 1.147 547 T CB 0.211 69.073 68.868 -0.010 0.000 0.862 547 T HN 0.406 nan 8.240 nan 0.000 0.446 548 K N 0.544 120.946 120.400 0.004 0.000 2.097 548 K HA 0.043 4.364 4.320 0.002 0.000 0.205 548 K C 2.572 179.182 176.600 0.015 0.000 1.050 548 K CA 1.110 57.402 56.287 0.008 0.000 0.938 548 K CB -0.202 32.315 32.500 0.028 0.000 0.718 548 K HN 0.273 nan 8.250 nan 0.000 0.442 549 A N 1.543 124.403 122.820 0.067 0.000 1.898 549 A HA -0.168 4.153 4.320 0.002 0.000 0.216 549 A C 2.094 179.685 177.584 0.011 0.000 1.181 549 A CA 1.230 53.334 52.037 0.113 0.000 0.620 549 A CB -0.456 18.740 19.000 0.326 0.000 0.819 549 A HN 0.199 nan 8.150 nan 0.000 0.442 550 R N -0.223 120.216 120.500 -0.101 0.000 2.094 550 R HA -0.205 4.137 4.340 0.002 0.000 0.239 550 R C 1.365 177.517 176.300 -0.246 0.000 1.137 550 R CA 2.140 58.045 56.100 -0.325 0.000 0.943 550 R CB -0.449 29.506 30.300 -0.575 0.000 0.850 550 R HN 0.459 nan 8.270 nan 0.000 0.433 551 D N 0.154 120.460 120.400 -0.158 0.000 2.178 551 D HA -0.163 4.478 4.640 0.002 0.000 0.202 551 D C 1.757 178.011 176.300 -0.077 0.000 0.974 551 D CA 1.068 55.003 54.000 -0.108 0.000 0.841 551 D CB -0.157 40.597 40.800 -0.075 0.000 0.953 551 D HN 0.214 nan 8.370 nan 0.000 0.478 552 M N 0.971 120.536 119.600 -0.057 0.000 2.175 552 M HA 0.020 4.501 4.480 0.002 0.000 0.264 552 M C 1.867 178.138 176.300 -0.047 0.000 1.063 552 M CA 0.990 56.264 55.300 -0.044 0.000 1.119 552 M CB -0.292 32.293 32.600 -0.024 0.000 1.377 552 M HN -0.039 nan 8.290 nan 0.000 0.415 553 A N -0.160 122.632 122.820 -0.047 0.000 1.908 553 A HA 0.002 4.323 4.320 0.002 0.000 0.218 553 A C 2.366 179.885 177.584 -0.109 0.000 1.181 553 A CA 2.111 54.115 52.037 -0.055 0.000 0.627 553 A CB -1.426 17.548 19.000 -0.044 0.000 0.818 553 A HN 0.622 nan 8.150 nan 0.000 0.445 554 A N -0.653 122.090 122.820 -0.128 0.000 1.930 554 A HA -0.109 4.212 4.320 0.002 0.000 0.217 554 A C 1.952 179.530 177.584 -0.009 0.000 1.175 554 A CA 1.538 53.513 52.037 -0.103 0.000 0.627 554 A CB -0.399 18.591 19.000 -0.017 0.000 0.815 554 A HN 0.478 nan 8.150 nan 0.000 0.443 555 E N 0.165 120.343 120.200 -0.036 0.000 2.051 555 E HA -0.169 4.182 4.350 0.002 0.000 0.192 555 E C 2.069 178.618 176.600 -0.085 0.000 0.991 555 E CA 1.111 57.486 56.400 -0.041 0.000 0.799 555 E CB -0.442 29.227 29.700 -0.053 0.000 0.748 555 E HN 0.674 nan 8.360 nan 0.000 0.449 556 L N 0.423 121.570 121.223 -0.127 0.000 2.046 556 L HA -0.168 4.173 4.340 0.002 0.000 0.208 556 L C 2.605 179.365 176.870 -0.184 0.000 1.077 556 L CA 0.758 55.452 54.840 -0.244 0.000 0.747 556 L CB -0.471 41.494 42.059 -0.157 0.000 0.896 556 L HN -0.013 nan 8.230 nan 0.000 0.432 557 V N 0.082 119.961 119.914 -0.059 0.000 2.295 557 V HA -0.265 3.856 4.120 0.002 0.000 0.246 557 V C 2.239 178.467 176.094 0.224 0.000 1.049 557 V CA 1.825 64.150 62.300 0.043 0.000 1.024 557 V CB -0.708 31.098 31.823 -0.029 0.000 0.648 557 V HN 0.481 nan 8.190 nan 0.000 0.447 558 N N 0.549 119.413 118.700 0.272 0.000 2.069 558 N HA -0.166 4.576 4.740 0.002 0.000 0.191 558 N C 1.978 177.751 175.510 0.438 0.000 1.031 558 N CA 1.556 54.884 53.050 0.463 0.000 0.852 558 N CB -0.382 38.230 38.487 0.208 0.000 1.018 558 N HN 0.478 nan 8.380 nan 0.000 0.423 559 R N 0.402 121.013 120.500 0.185 0.000 2.148 559 R HA 0.160 4.501 4.340 0.002 0.000 0.223 559 R C 2.160 178.627 176.300 0.279 0.000 1.088 559 R CA 0.910 57.135 56.100 0.208 0.000 0.985 559 R CB -0.147 30.179 30.300 0.043 0.000 0.880 559 R HN 0.185 nan 8.270 nan 0.000 0.451 560 A N 1.087 123.956 122.820 0.083 0.000 1.855 560 A HA -0.183 4.138 4.320 0.002 0.000 0.215 560 A C 1.875 179.771 177.584 0.519 0.000 1.191 560 A CA 0.895 53.117 52.037 0.309 0.000 0.613 560 A CB -0.939 18.118 19.000 0.096 0.000 0.829 560 A HN 0.591 nan 8.150 nan 0.000 0.442 561 W N -0.637 120.828 121.300 0.275 0.000 2.358 561 W HA -0.241 4.421 4.660 0.002 0.000 0.303 561 W C 2.036 178.752 176.519 0.329 0.000 1.208 561 W CA 2.018 59.527 57.345 0.273 0.000 1.274 561 W CB -0.430 29.142 29.460 0.187 0.000 1.138 561 W HN 0.508 nan 8.180 nan 0.000 0.515 562 Y N 2.093 122.603 120.300 0.349 0.000 2.145 562 Y HA -0.193 4.359 4.550 0.002 0.000 0.286 562 Y C 2.278 178.201 175.900 0.038 0.000 1.145 562 Y CA 2.396 60.612 58.100 0.193 0.000 1.148 562 Y CB -1.023 37.619 38.460 0.303 0.000 0.981 562 Y HN -0.119 nan 8.280 nan 0.000 0.507 563 N N -1.112 117.590 118.700 0.004 0.000 2.424 563 N HA -0.038 4.703 4.740 0.002 0.000 0.178 563 N C -0.008 175.067 175.510 -0.725 0.000 1.060 563 N CA 0.762 53.576 53.050 -0.393 0.000 0.901 563 N CB 0.054 38.406 38.487 -0.225 0.000 0.979 563 N HN 0.334 nan 8.380 nan 0.000 0.451 564 F N -0.576 119.362 119.950 -0.020 0.000 2.791 564 F HA 0.211 4.739 4.527 0.002 0.000 0.316 564 F C 0.042 175.771 175.800 -0.119 0.000 1.134 564 F CA -0.901 57.074 58.000 -0.040 0.000 1.222 564 F CB -0.294 38.726 39.000 0.034 0.000 1.034 564 F HN -0.120 nan 8.300 nan 0.000 0.516 565 Y N 1.361 121.493 120.300 -0.281 0.000 2.712 565 Y HA 0.065 4.616 4.550 0.002 0.000 0.333 565 Y C 0.418 176.180 175.900 -0.230 0.000 1.225 565 Y CA -0.556 57.285 58.100 -0.433 0.000 1.499 565 Y CB 0.463 38.567 38.460 -0.595 0.000 1.288 565 Y HN 0.183 nan 8.280 nan 0.000 0.575 566 C N 6.733 125.640 119.300 -0.654 0.000 2.281 566 C HA 0.238 4.699 4.460 0.002 0.000 0.336 566 C C 1.633 176.367 174.990 -0.427 0.000 1.217 566 C CA -0.020 58.786 59.018 -0.354 0.000 1.730 566 C CB -0.950 26.714 27.740 -0.127 0.000 2.338 566 C HN 1.088 nan 8.230 nan 0.000 0.521 567 S N 3.140 118.787 115.700 -0.089 0.000 2.383 567 S HA -0.124 4.347 4.470 0.002 0.000 0.229 567 S C 1.971 176.571 174.600 -0.001 0.000 1.030 567 S CA 2.154 60.380 58.200 0.044 0.000 1.002 567 S CB -0.095 63.134 63.200 0.048 0.000 0.829 567 S HN 1.009 nan 8.310 nan 0.000 0.467 568 E N -0.020 120.157 120.200 -0.039 0.000 2.512 568 E HA 0.344 4.695 4.350 0.002 0.000 0.195 568 E C 1.234 177.799 176.600 -0.058 0.000 1.083 568 E CA 0.772 57.151 56.400 -0.035 0.000 0.873 568 E CB -1.336 28.343 29.700 -0.035 0.000 0.897 568 E HN 0.750 nan 8.360 nan 0.000 0.514 569 G N 0.199 108.939 108.800 -0.100 0.000 2.141 569 G HA2 -0.306 3.655 3.960 0.002 0.000 0.242 569 G HA3 -0.306 3.655 3.960 0.002 0.000 0.242 569 G C 1.088 175.939 174.900 -0.081 0.000 0.982 569 G CA 0.571 45.619 45.100 -0.086 0.000 0.662 569 G HN 0.508 nan 8.290 nan 0.000 0.527 570 K N -0.062 120.275 120.400 -0.106 0.000 2.444 570 K HA 0.442 4.763 4.320 0.002 0.000 0.193 570 K C 1.796 178.470 176.600 0.124 0.000 1.024 570 K CA 0.805 57.064 56.287 -0.047 0.000 1.077 570 K CB 0.289 32.597 32.500 -0.319 0.000 0.833 570 K HN 1.222 nan 8.250 nan 0.000 0.517 571 G N 0.609 109.412 108.800 0.006 0.000 2.460 571 G HA2 -0.210 3.751 3.960 0.002 0.000 0.208 571 G HA3 -0.210 3.751 3.960 0.002 0.000 0.208 571 G C -0.761 174.105 174.900 -0.057 0.000 1.185 571 G CA -0.374 44.769 45.100 0.072 0.000 1.262 571 G HN 0.173 nan 8.290 nan 0.000 0.522 572 V N -1.603 118.356 119.914 0.075 0.000 2.960 572 V HA 0.959 5.080 4.120 0.002 0.000 0.315 572 V C -0.068 176.011 176.094 -0.025 0.000 1.087 572 V CA -0.259 62.048 62.300 0.012 0.000 0.982 572 V CB 1.466 33.357 31.823 0.113 0.000 1.039 572 V HN 2.049 nan 8.190 nan 0.000 0.437 573 V N 0.987 120.855 119.914 -0.077 0.000 3.049 573 V HA 0.701 4.823 4.120 0.002 0.000 0.309 573 V C -0.192 175.875 176.094 -0.045 0.000 1.148 573 V CA 0.129 62.257 62.300 -0.287 0.000 0.990 573 V CB 2.584 34.102 31.823 -0.508 0.000 1.039 573 V HN 1.247 nan 8.190 nan 0.000 0.430 574 T N 3.639 118.125 114.554 -0.113 0.000 2.943 574 T HA 0.524 4.876 4.350 0.002 0.000 0.284 574 T C -0.963 173.739 174.700 0.004 0.000 1.015 574 T CA -0.227 61.854 62.100 -0.032 0.000 1.042 574 T CB 1.177 70.036 68.868 -0.015 0.000 1.055 574 T HN 0.819 nan 8.240 nan 0.000 0.500 575 E N 2.114 122.362 120.200 0.080 0.000 2.279 575 E HA 0.331 4.682 4.350 0.002 0.000 0.252 575 E C -1.154 175.453 176.600 0.011 0.000 0.894 575 E CA -0.579 55.838 56.400 0.028 0.000 0.785 575 E CB 0.574 30.317 29.700 0.071 0.000 1.237 575 E HN 0.693 nan 8.360 nan 0.000 0.418 576 E N 2.855 123.028 120.200 -0.045 0.000 2.263 576 E HA 0.620 4.971 4.350 0.002 0.000 0.268 576 E C -1.176 175.382 176.600 -0.069 0.000 0.884 576 E CA -1.269 55.114 56.400 -0.028 0.000 0.766 576 E CB 1.670 31.382 29.700 0.021 0.000 1.196 576 E HN 0.364 nan 8.360 nan 0.000 0.416 577 A N 3.857 126.646 122.820 -0.052 0.000 2.454 577 A HA 0.302 4.623 4.320 0.002 0.000 0.260 577 A C -0.115 177.407 177.584 -0.104 0.000 1.106 577 A CA -0.586 51.409 52.037 -0.070 0.000 0.780 577 A CB 0.134 19.111 19.000 -0.038 0.000 1.044 577 A HN 0.507 nan 8.150 nan 0.000 0.498 578 R N 2.970 123.358 120.500 -0.186 0.000 2.860 578 R HA 0.341 4.682 4.340 0.002 0.000 0.282 578 R C 1.002 177.189 176.300 -0.188 0.000 1.408 578 R CA 0.298 56.204 56.100 -0.324 0.000 1.636 578 R CB 0.315 30.073 30.300 -0.903 0.000 1.187 578 R HN 0.825 nan 8.270 nan 0.000 0.611 579 A N 1.586 124.368 122.820 -0.063 0.000 2.019 579 A HA -0.197 4.124 4.320 0.002 0.000 0.219 579 A C 1.578 179.177 177.584 0.025 0.000 1.164 579 A CA 1.686 53.722 52.037 -0.001 0.000 0.644 579 A CB -0.109 18.895 19.000 0.007 0.000 0.805 579 A HN 0.551 nan 8.150 nan 0.000 0.449 580 D N -1.189 119.233 120.400 0.037 0.000 2.265 580 D HA -0.219 4.423 4.640 0.002 0.000 0.208 580 D C 1.189 177.504 176.300 0.026 0.000 0.977 580 D CA 0.964 54.989 54.000 0.041 0.000 0.871 580 D CB -0.674 40.247 40.800 0.202 0.000 0.925 580 D HN 0.487 nan 8.370 nan 0.000 0.485 581 Y N 1.887 122.196 120.300 0.015 0.000 2.639 581 Y HA -0.056 4.495 4.550 0.002 0.000 0.297 581 Y C 2.203 178.115 175.900 0.020 0.000 1.151 581 Y CA 0.197 58.369 58.100 0.120 0.000 1.335 581 Y CB -0.602 38.034 38.460 0.293 0.000 0.994 581 Y HN 0.263 nan 8.280 nan 0.000 0.548 582 K N 0.324 120.801 120.400 0.128 0.000 2.211 582 K HA -0.184 4.137 4.320 0.002 0.000 0.204 582 K C 1.723 178.228 176.600 -0.158 0.000 1.047 582 K CA 1.392 57.760 56.287 0.136 0.000 0.935 582 K CB -0.384 32.232 32.500 0.193 0.000 0.728 582 K HN 0.207 nan 8.250 nan 0.000 0.452 583 R N -0.101 120.072 120.500 -0.544 0.000 2.237 583 R HA -0.020 4.321 4.340 0.002 0.000 0.219 583 R C 1.821 177.672 176.300 -0.749 0.000 1.080 583 R CA 1.051 56.633 56.100 -0.865 0.000 0.995 583 R CB -0.413 28.894 30.300 -1.655 0.000 0.875 583 R HN 0.179 nan 8.270 nan 0.000 0.462 584 F N -0.351 119.106 119.950 -0.822 0.000 2.147 584 F HA -0.255 4.273 4.527 0.002 0.000 0.301 584 F C 1.407 176.809 175.800 -0.663 0.000 1.084 584 F CA 1.694 59.243 58.000 -0.752 0.000 1.268 584 F CB -0.037 38.141 39.000 -1.371 0.000 1.009 584 F HN -0.014 nan 8.300 nan 0.000 0.486 585 F N -2.202 117.737 119.950 -0.019 0.000 2.711 585 F HA 0.141 4.670 4.527 0.002 0.000 0.296 585 F C 1.878 177.597 175.800 -0.135 0.000 1.096 585 F CA -0.038 57.862 58.000 -0.168 0.000 1.280 585 F CB -0.199 38.370 39.000 -0.718 0.000 1.060 585 F HN -0.205 nan 8.300 nan 0.000 0.608 586 E N 0.057 120.253 120.200 -0.007 0.000 2.216 586 E HA -0.054 4.297 4.350 0.002 0.000 0.192 586 E C 0.718 177.344 176.600 0.043 0.000 0.973 586 E CA -0.010 56.422 56.400 0.054 0.000 0.851 586 E CB 0.064 29.803 29.700 0.065 0.000 0.804 586 E HN 0.050 nan 8.360 nan 0.000 0.477 587 Q N 2.518 122.311 119.800 -0.012 0.000 2.263 587 Q HA -0.025 4.316 4.340 0.002 0.000 0.270 587 Q C -0.736 175.345 176.000 0.134 0.000 1.104 587 Q CA 0.306 56.133 55.803 0.040 0.000 0.909 587 Q CB 0.457 29.199 28.738 0.006 0.000 1.214 587 Q HN 0.024 nan 8.270 nan 0.000 0.400 588 E N 2.583 122.861 120.200 0.130 0.000 2.289 588 E HA 0.298 4.649 4.350 0.002 0.000 0.278 588 E C -1.196 175.509 176.600 0.175 0.000 1.032 588 E CA -0.591 55.896 56.400 0.145 0.000 0.854 588 E CB 0.762 30.540 29.700 0.130 0.000 1.046 588 E HN 0.435 nan 8.360 nan 0.000 0.409 589 V N 5.839 125.854 119.914 0.169 0.000 2.383 589 V HA 0.073 4.194 4.120 0.002 0.000 0.275 589 V C -0.398 175.786 176.094 0.150 0.000 1.036 589 V CA -0.647 61.758 62.300 0.175 0.000 0.889 589 V CB 0.459 32.369 31.823 0.145 0.000 0.985 589 V HN 0.662 nan 8.190 nan 0.000 0.459 590 Y N 5.727 126.072 120.300 0.074 0.000 2.526 590 Y HA 0.417 4.968 4.550 0.002 0.000 0.330 590 Y C -0.187 175.709 175.900 -0.006 0.000 1.156 590 Y CA 0.254 58.383 58.100 0.047 0.000 1.419 590 Y CB 0.791 39.289 38.460 0.064 0.000 1.250 590 Y HN 0.388 nan 8.280 nan 0.000 0.540 591 V N 8.698 128.070 119.914 -0.903 0.000 2.686 591 V HA 0.338 4.459 4.120 0.002 0.000 0.306 591 V C -2.287 173.233 176.094 -0.956 0.000 1.065 591 V CA -2.185 59.660 62.300 -0.758 0.000 0.894 591 V CB 1.867 33.499 31.823 -0.318 0.000 1.004 591 V HN 0.714 nan 8.190 nan 0.000 0.424 592 P HA 0.132 nan 4.420 nan 0.000 0.265 592 P C -0.160 177.075 177.300 -0.108 0.000 1.187 592 P CA 0.181 63.111 63.100 -0.283 0.000 0.766 592 P CB 0.430 32.091 31.700 -0.066 0.000 0.820 593 A N 2.997 125.800 122.820 -0.028 0.000 2.540 593 A HA 0.397 4.718 4.320 0.002 0.000 0.239 593 A C 1.619 179.232 177.584 0.048 0.000 1.061 593 A CA 0.770 52.814 52.037 0.011 0.000 0.758 593 A CB -1.320 17.697 19.000 0.029 0.000 0.991 593 A HN 0.895 nan 8.150 nan 0.000 0.502 594 G N 0.458 109.281 108.800 0.040 0.000 2.205 594 G HA2 -0.298 3.664 3.960 0.002 0.000 0.261 594 G HA3 -0.298 3.664 3.960 0.002 0.000 0.261 594 G C 0.099 175.025 174.900 0.043 0.000 0.980 594 G CA 0.585 45.702 45.100 0.029 0.000 0.632 594 G HN 1.259 nan 8.290 nan 0.000 0.533 595 W N 2.083 123.317 121.300 -0.111 0.000 2.438 595 W HA 0.625 5.286 4.660 0.002 0.000 0.324 595 W C 0.530 176.967 176.519 -0.137 0.000 1.119 595 W CA 0.176 57.439 57.345 -0.138 0.000 1.221 595 W CB 1.476 30.838 29.460 -0.163 0.000 1.253 595 W HN 0.683 nan 8.180 nan 0.000 0.555 596 S N 4.084 119.521 115.700 -0.437 0.000 2.537 596 S HA 0.923 5.394 4.470 0.002 0.000 0.270 596 S C -0.684 173.446 174.600 -0.783 0.000 1.142 596 S CA -0.580 57.438 58.200 -0.302 0.000 0.870 596 S CB 1.611 64.702 63.200 -0.180 0.000 1.112 596 S HN 0.987 nan 8.310 nan 0.000 0.466 597 G N 0.525 109.131 108.800 -0.323 0.000 2.663 597 G HA2 0.795 4.757 3.960 0.002 0.000 0.299 597 G HA3 0.795 4.757 3.960 0.002 0.000 0.299 597 G C -1.064 173.808 174.900 -0.047 0.000 1.372 597 G CA -0.202 44.717 45.100 -0.302 0.000 0.781 597 G HN 1.400 nan 8.290 nan 0.000 0.491 598 T N -1.674 112.872 114.554 -0.015 0.000 2.900 598 T HA 0.684 5.035 4.350 0.002 0.000 0.295 598 T C 0.150 174.945 174.700 0.160 0.000 1.044 598 T CA -0.884 61.254 62.100 0.063 0.000 0.995 598 T CB 1.807 70.700 68.868 0.042 0.000 1.072 598 T HN 0.431 nan 8.240 nan 0.000 0.473 599 M N 1.533 121.216 119.600 0.138 0.000 2.227 599 M HA 0.278 4.760 4.480 0.002 0.000 0.316 599 M C -1.610 174.659 176.300 -0.052 0.000 1.144 599 M CA -2.504 52.862 55.300 0.110 0.000 1.121 599 M CB 0.148 32.746 32.600 -0.003 0.000 1.440 599 M HN 0.393 nan 8.290 nan 0.000 0.473 600 P HA -0.176 nan 4.420 nan 0.000 0.216 600 P C 0.734 177.884 177.300 -0.249 0.000 1.154 600 P CA 1.496 64.280 63.100 -0.526 0.000 0.865 600 P CB -0.125 31.000 31.700 -0.957 0.000 0.789 601 N N -1.271 117.260 118.700 -0.282 0.000 2.449 601 N HA 0.019 4.760 4.740 0.002 0.000 0.191 601 N C 1.232 176.664 175.510 -0.129 0.000 1.161 601 N CA 1.053 53.972 53.050 -0.218 0.000 0.863 601 N CB -0.855 37.451 38.487 -0.301 0.000 0.980 601 N HN 0.242 nan 8.380 nan 0.000 0.458 602 G N -0.338 108.415 108.800 -0.078 0.000 2.234 602 G HA2 -0.250 3.712 3.960 0.002 0.000 0.235 602 G HA3 -0.250 3.712 3.960 0.002 0.000 0.235 602 G C -0.483 174.397 174.900 -0.034 0.000 0.997 602 G CA 0.078 45.154 45.100 -0.040 0.000 0.623 602 G HN 0.462 nan 8.290 nan 0.000 0.514 603 D N 1.610 121.977 120.400 -0.054 0.000 2.525 603 D HA 0.267 4.908 4.640 0.002 0.000 0.235 603 D C 0.717 177.023 176.300 0.011 0.000 1.137 603 D CA 0.639 54.620 54.000 -0.031 0.000 0.868 603 D CB 0.596 41.367 40.800 -0.048 0.000 1.180 603 D HN 0.346 nan 8.370 nan 0.000 0.465 604 K N 2.342 122.753 120.400 0.019 0.000 2.258 604 K HA 0.338 4.659 4.320 0.002 0.000 0.284 604 K C -0.026 176.615 176.600 0.068 0.000 1.051 604 K CA -0.493 55.814 56.287 0.034 0.000 0.923 604 K CB 1.020 33.532 32.500 0.019 0.000 1.046 604 K HN 0.300 nan 8.250 nan 0.000 0.474 605 I N 4.606 125.245 120.570 0.115 0.000 2.297 605 I HA 0.093 4.265 4.170 0.002 0.000 0.291 605 I C 0.119 176.355 176.117 0.200 0.000 1.033 605 I CA -0.045 61.361 61.300 0.176 0.000 1.253 605 I CB 0.595 38.774 38.000 0.297 0.000 1.396 605 I HN 0.606 nan 8.210 nan 0.000 0.476 606 Q N 6.248 126.117 119.800 0.115 0.000 2.633 606 Q HA 0.526 4.867 4.340 0.002 0.000 0.289 606 Q C -3.067 172.946 176.000 0.021 0.000 0.940 606 Q CA -2.067 53.791 55.803 0.092 0.000 0.785 606 Q CB 1.733 30.506 28.738 0.060 0.000 1.467 606 Q HN 0.116 nan 8.270 nan 0.000 0.401 607 P HA 0.106 nan 4.420 nan 0.000 0.265 607 P C 0.576 177.878 177.300 0.002 0.000 1.187 607 P CA 2.069 65.140 63.100 -0.048 0.000 0.766 607 P CB 0.419 32.092 31.700 -0.045 0.000 0.820 608 G N 1.956 110.765 108.800 0.016 0.000 2.234 608 G HA2 -0.244 3.717 3.960 0.002 0.000 0.235 608 G HA3 -0.244 3.717 3.960 0.002 0.000 0.235 608 G C 0.323 175.263 174.900 0.066 0.000 0.997 608 G CA 0.122 45.251 45.100 0.048 0.000 0.623 608 G HN 0.700 nan 8.290 nan 0.000 0.514 609 I N -0.677 119.929 120.570 0.059 0.000 2.948 609 I HA 0.540 4.712 4.170 0.002 0.000 0.290 609 I C 0.363 176.546 176.117 0.111 0.000 1.226 609 I CA -0.250 61.098 61.300 0.080 0.000 1.413 609 I CB 0.450 38.490 38.000 0.068 0.000 1.352 609 I HN -0.146 nan 8.210 nan 0.000 0.597 610 K N 3.577 124.059 120.400 0.136 0.000 2.211 610 K HA 0.258 4.580 4.320 0.002 0.000 0.237 610 K C 0.247 176.975 176.600 0.212 0.000 1.002 610 K CA -0.737 55.659 56.287 0.181 0.000 0.885 610 K CB 1.012 33.631 32.500 0.197 0.000 1.136 610 K HN 0.736 nan 8.250 nan 0.000 0.448 611 F N 1.203 121.212 119.950 0.098 0.000 2.120 611 F HA -0.260 4.268 4.527 0.002 0.000 0.300 611 F C 1.787 177.664 175.800 0.128 0.000 1.095 611 F CA 1.532 59.594 58.000 0.104 0.000 1.249 611 F CB -0.131 38.935 39.000 0.110 0.000 0.995 611 F HN 0.506 nan 8.300 nan 0.000 0.480 612 I N 0.868 121.663 120.570 0.375 0.000 2.394 612 I HA -0.232 3.940 4.170 0.002 0.000 0.251 612 I C 1.787 177.998 176.117 0.157 0.000 1.136 612 I CA 1.534 63.036 61.300 0.337 0.000 1.425 612 I CB -0.834 37.446 38.000 0.467 0.000 1.079 612 I HN 0.086 nan 8.210 nan 0.000 0.425 613 D N 0.653 121.131 120.400 0.130 0.000 2.263 613 D HA -0.106 4.535 4.640 0.002 0.000 0.208 613 D C 1.822 178.135 176.300 0.020 0.000 0.971 613 D CA 1.700 55.749 54.000 0.081 0.000 0.867 613 D CB -0.144 40.711 40.800 0.091 0.000 0.929 613 D HN 0.624 nan 8.370 nan 0.000 0.492 614 I N -3.044 117.514 120.570 -0.020 0.000 3.974 614 I HA 0.301 4.472 4.170 0.002 0.000 0.334 614 I C 0.285 176.333 176.117 -0.115 0.000 1.437 614 I CA -0.283 60.991 61.300 -0.043 0.000 1.113 614 I CB 0.399 38.399 38.000 0.000 0.000 1.063 614 I HN -0.313 nan 8.210 nan 0.000 0.400 615 R N 0.185 120.607 120.500 -0.130 0.000 2.734 615 R HA 0.268 4.609 4.340 0.002 0.000 0.395 615 R C 0.786 177.027 176.300 -0.098 0.000 1.096 615 R CA -0.133 55.852 56.100 -0.192 0.000 1.071 615 R CB 0.525 30.761 30.300 -0.105 0.000 1.348 615 R HN 0.070 nan 8.270 nan 0.000 0.600 616 T N 1.216 115.684 114.554 -0.142 0.000 2.778 616 T HA -0.179 4.172 4.350 0.002 0.000 0.269 616 T C 1.535 176.137 174.700 -0.163 0.000 1.050 616 T CA 1.503 63.533 62.100 -0.116 0.000 1.137 616 T CB 0.033 68.828 68.868 -0.123 0.000 0.860 616 T HN 0.308 nan 8.240 nan 0.000 0.468 617 K N -0.202 120.015 120.400 -0.306 0.000 2.286 617 K HA -0.122 4.199 4.320 0.002 0.000 0.203 617 K C 1.758 178.385 176.600 0.046 0.000 1.045 617 K CA 1.050 57.176 56.287 -0.268 0.000 0.935 617 K CB -0.216 31.893 32.500 -0.653 0.000 0.737 617 K HN 0.362 nan 8.250 nan 0.000 0.460 618 Y N 1.358 121.726 120.300 0.113 0.000 2.403 618 Y HA -0.118 4.434 4.550 0.002 0.000 0.291 618 Y C 1.803 177.578 175.900 -0.208 0.000 1.143 618 Y CA 0.884 59.108 58.100 0.205 0.000 1.257 618 Y CB -0.076 38.614 38.460 0.384 0.000 0.984 618 Y HN 0.001 nan 8.280 nan 0.000 0.550 619 R N -0.560 119.723 120.500 -0.361 0.000 2.189 619 R HA -0.139 4.202 4.340 0.002 0.000 0.223 619 R C 1.229 177.313 176.300 -0.360 0.000 1.092 619 R CA 0.905 56.449 56.100 -0.927 0.000 0.989 619 R CB -0.043 29.878 30.300 -0.630 0.000 0.876 619 R HN 0.293 nan 8.270 nan 0.000 0.457 620 Q N 0.470 120.207 119.800 -0.105 0.000 2.403 620 Q HA 0.073 4.414 4.340 0.002 0.000 0.203 620 Q C -0.034 176.014 176.000 0.079 0.000 0.932 620 Q CA 0.264 56.065 55.803 -0.004 0.000 0.945 620 Q CB -0.083 28.658 28.738 0.005 0.000 1.045 620 Q HN 0.249 nan 8.270 nan 0.000 0.511 621 D N 1.724 122.219 120.400 0.159 0.000 2.389 621 D HA -0.002 4.639 4.640 0.002 0.000 0.247 621 D C -1.409 174.989 176.300 0.163 0.000 1.128 621 D CA -1.592 52.542 54.000 0.224 0.000 0.884 621 D CB 1.702 42.734 40.800 0.386 0.000 1.194 621 D HN -0.067 nan 8.370 nan 0.000 0.441 622 P HA -0.185 nan 4.420 nan 0.000 0.217 622 P C 0.493 177.682 177.300 -0.186 0.000 1.151 622 P CA 1.405 64.454 63.100 -0.086 0.000 0.849 622 P CB -0.028 31.594 31.700 -0.131 0.000 0.787 623 Y N -3.471 116.876 120.300 0.078 0.000 2.571 623 Y HA 0.128 4.680 4.550 0.002 0.000 0.275 623 Y C 2.192 178.133 175.900 0.068 0.000 1.179 623 Y CA -0.563 57.569 58.100 0.054 0.000 1.242 623 Y CB -0.614 37.859 38.460 0.021 0.000 1.126 623 Y HN -0.117 nan 8.280 nan 0.000 0.524 624 Y N 1.135 121.485 120.300 0.082 0.000 2.163 624 Y HA -0.253 4.298 4.550 0.002 0.000 0.288 624 Y C 1.888 177.849 175.900 0.101 0.000 1.136 624 Y CA 1.825 59.956 58.100 0.051 0.000 1.147 624 Y CB -0.144 38.361 38.460 0.075 0.000 0.987 624 Y HN 0.083 nan 8.280 nan 0.000 0.509 625 D N 0.356 120.794 120.400 0.064 0.000 2.149 625 D HA -0.223 4.419 4.640 0.002 0.000 0.198 625 D C 2.330 178.613 176.300 -0.027 0.000 0.990 625 D CA 1.848 55.851 54.000 0.005 0.000 0.839 625 D CB -0.315 40.528 40.800 0.072 0.000 0.948 625 D HN 0.463 nan 8.370 nan 0.000 0.460 626 I N 0.769 121.343 120.570 0.007 0.000 2.226 626 I HA -0.231 3.941 4.170 0.002 0.000 0.245 626 I C 2.602 178.729 176.117 0.017 0.000 1.100 626 I CA 0.895 62.212 61.300 0.029 0.000 1.374 626 I CB -0.127 37.934 38.000 0.102 0.000 1.057 626 I HN -0.036 nan 8.210 nan 0.000 0.413 627 V N -1.212 118.701 119.914 -0.002 0.000 2.591 627 V HA -0.253 3.868 4.120 0.002 0.000 0.249 627 V C 2.355 178.513 176.094 0.107 0.000 1.053 627 V CA 1.093 63.424 62.300 0.052 0.000 1.068 627 V CB -0.832 31.005 31.823 0.023 0.000 0.689 627 V HN 0.385 nan 8.190 nan 0.000 0.462 628 Y N 1.687 121.838 120.300 -0.249 0.000 2.070 628 Y HA -0.166 4.386 4.550 0.002 0.000 0.280 628 Y C 2.749 178.528 175.900 -0.201 0.000 1.148 628 Y CA 2.473 60.324 58.100 -0.416 0.000 1.125 628 Y CB -0.604 37.433 38.460 -0.706 0.000 0.975 628 Y HN 0.270 nan 8.280 nan 0.000 0.492 629 Q N 0.154 119.821 119.800 -0.221 0.000 2.112 629 Q HA -0.216 4.125 4.340 0.002 0.000 0.206 629 Q C 2.509 178.394 176.000 -0.191 0.000 0.987 629 Q CA 1.717 57.377 55.803 -0.238 0.000 0.858 629 Q CB -1.135 27.536 28.738 -0.111 0.000 0.905 629 Q HN 0.626 nan 8.270 nan 0.000 0.420 630 A N -0.103 122.668 122.820 -0.083 0.000 1.930 630 A HA -0.197 4.125 4.320 0.002 0.000 0.217 630 A C 2.006 179.573 177.584 -0.029 0.000 1.175 630 A CA 1.359 53.374 52.037 -0.037 0.000 0.627 630 A CB -0.855 18.160 19.000 0.026 0.000 0.815 630 A HN 0.438 nan 8.150 nan 0.000 0.443 631 Y N 0.771 121.012 120.300 -0.099 0.000 2.128 631 Y HA -0.193 4.358 4.550 0.002 0.000 0.284 631 Y C 1.859 177.632 175.900 -0.212 0.000 1.154 631 Y CA 1.877 59.924 58.100 -0.089 0.000 1.149 631 Y CB -0.450 38.006 38.460 -0.007 0.000 0.976 631 Y HN 0.196 nan 8.280 nan 0.000 0.505 632 L N 0.047 120.883 121.223 -0.645 0.000 2.187 632 L HA -0.206 4.136 4.340 0.002 0.000 0.213 632 L C 2.110 178.714 176.870 -0.443 0.000 1.100 632 L CA 1.533 55.968 54.840 -0.676 0.000 0.765 632 L CB -0.409 41.300 42.059 -0.584 0.000 0.904 632 L HN 0.246 nan 8.230 nan 0.000 0.437 633 R N -0.624 119.686 120.500 -0.316 0.000 2.362 633 R HA 0.161 4.502 4.340 0.002 0.000 0.227 633 R C 1.165 177.359 176.300 -0.176 0.000 0.905 633 R CA 0.535 56.510 56.100 -0.208 0.000 1.067 633 R CB 0.490 30.703 30.300 -0.145 0.000 1.078 633 R HN 0.353 nan 8.270 nan 0.000 0.516 634 G N 1.737 110.412 108.800 -0.210 0.000 2.176 634 G HA2 -0.299 3.662 3.960 0.002 0.000 0.252 634 G HA3 -0.299 3.662 3.960 0.002 0.000 0.252 634 G C -0.272 174.588 174.900 -0.066 0.000 1.024 634 G CA 0.205 45.224 45.100 -0.136 0.000 0.755 634 G HN 0.378 nan 8.290 nan 0.000 0.507 635 E N -0.475 119.693 120.200 -0.054 0.000 2.235 635 E HA 0.700 5.051 4.350 0.002 0.000 0.265 635 E C 0.409 177.013 176.600 0.006 0.000 0.940 635 E CA -0.366 56.018 56.400 -0.027 0.000 0.819 635 E CB 1.556 31.233 29.700 -0.038 0.000 1.206 635 E HN 0.622 nan 8.360 nan 0.000 0.409 636 A N 3.194 126.015 122.820 0.002 0.000 2.354 636 A HA 0.357 4.679 4.320 0.002 0.000 0.281 636 A C -2.146 175.436 177.584 -0.004 0.000 1.174 636 A CA -1.218 50.823 52.037 0.007 0.000 0.828 636 A CB -0.235 18.759 19.000 -0.009 0.000 1.099 636 A HN 0.306 nan 8.150 nan 0.000 0.516 637 P HA 0.304 nan 4.420 nan 0.000 0.275 637 P C -0.724 176.543 177.300 -0.056 0.000 1.227 637 P CA -0.131 62.970 63.100 0.003 0.000 0.781 637 P CB 1.165 32.907 31.700 0.071 0.000 0.906 638 V N 4.320 124.199 119.914 -0.058 0.000 2.398 638 V HA 0.329 4.450 4.120 0.002 0.000 0.286 638 V C 0.409 176.416 176.094 -0.145 0.000 1.026 638 V CA -0.396 61.848 62.300 -0.093 0.000 0.868 638 V CB 1.027 32.811 31.823 -0.065 0.000 0.982 638 V HN 0.405 nan 8.190 nan 0.000 0.443 639 L N 4.686 125.769 121.223 -0.234 0.000 2.341 639 L HA 0.641 4.983 4.340 0.002 0.000 0.267 639 L C -0.202 176.370 176.870 -0.496 0.000 1.009 639 L CA -0.451 54.120 54.840 -0.447 0.000 0.819 639 L CB 2.153 43.811 42.059 -0.668 0.000 1.323 639 L HN 0.494 nan 8.230 nan 0.000 0.425 640 N N 1.520 119.839 118.700 -0.635 0.000 2.407 640 N HA 0.439 5.180 4.740 0.002 0.000 0.277 640 N C -1.617 173.551 175.510 -0.569 0.000 0.995 640 N CA -0.339 52.430 53.050 -0.468 0.000 0.903 640 N CB 1.507 39.809 38.487 -0.309 0.000 1.218 640 N HN 0.434 nan 8.380 nan 0.000 0.487 641 Y N 0.071 120.227 120.300 -0.240 0.000 2.462 641 Y HA 0.284 4.835 4.550 0.002 0.000 0.346 641 Y C -0.133 175.569 175.900 -0.329 0.000 0.976 641 Y CA -0.980 56.984 58.100 -0.225 0.000 1.044 641 Y CB 1.780 40.132 38.460 -0.181 0.000 1.230 641 Y HN 0.457 nan 8.280 nan 0.000 0.455 642 H N 1.765 120.875 119.070 0.068 0.000 2.486 642 H HA 0.345 4.902 4.556 0.002 0.000 0.239 642 H C -0.637 174.695 175.328 0.007 0.000 1.480 642 H CA -0.747 55.330 56.048 0.047 0.000 1.324 642 H CB 0.189 29.972 29.762 0.035 0.000 1.486 642 H HN 0.360 nan 8.280 nan 0.000 0.544 643 R N 1.085 121.483 120.500 -0.170 0.000 2.442 643 R HA 0.006 4.347 4.340 0.002 0.000 0.291 643 R C 0.667 176.833 176.300 -0.224 0.000 1.069 643 R CA -0.256 55.598 56.100 -0.410 0.000 1.022 643 R CB 0.512 30.197 30.300 -1.026 0.000 0.976 643 R HN 0.475 nan 8.270 nan 0.000 0.443 644 F N 4.481 124.293 119.950 -0.230 0.000 2.063 644 F HA -0.302 4.226 4.527 0.002 0.000 0.298 644 F C 1.902 177.579 175.800 -0.205 0.000 1.109 644 F CA 1.821 59.692 58.000 -0.214 0.000 1.212 644 F CB -0.107 38.773 39.000 -0.199 0.000 0.973 644 F HN 0.717 nan 8.300 nan 0.000 0.480 645 W N 0.006 121.165 121.300 -0.235 0.000 2.425 645 W HA -0.140 4.521 4.660 0.002 0.000 0.277 645 W C 1.928 178.260 176.519 -0.312 0.000 1.231 645 W CA 1.326 58.352 57.345 -0.531 0.000 1.248 645 W CB -1.662 27.418 29.460 -0.634 0.000 1.117 645 W HN 0.258 nan 8.180 nan 0.000 0.568 646 H N 1.104 119.616 119.070 -0.930 0.000 2.290 646 H HA -0.149 4.408 4.556 0.002 0.000 0.298 646 H C 2.287 177.405 175.328 -0.350 0.000 1.087 646 H CA 1.773 57.385 56.048 -0.727 0.000 1.291 646 H CB 0.134 29.497 29.762 -0.665 0.000 1.369 646 H HN 0.049 nan 8.280 nan 0.000 0.492 647 E N 0.544 120.612 120.200 -0.220 0.000 2.085 647 E HA -0.127 4.224 4.350 0.002 0.000 0.194 647 E C 2.512 178.976 176.600 -0.225 0.000 0.994 647 E CA 0.746 57.012 56.400 -0.223 0.000 0.801 647 E CB -0.417 29.046 29.700 -0.396 0.000 0.743 647 E HN 0.291 nan 8.360 nan 0.000 0.453 648 V N 1.953 121.674 119.914 -0.322 0.000 2.323 648 V HA -0.188 3.933 4.120 0.002 0.000 0.244 648 V C 2.101 178.206 176.094 0.019 0.000 1.041 648 V CA 1.701 63.907 62.300 -0.157 0.000 1.025 648 V CB -0.463 31.279 31.823 -0.136 0.000 0.656 648 V HN 0.096 nan 8.190 nan 0.000 0.451 649 D N 0.021 120.477 120.400 0.094 0.000 2.133 649 D HA -0.183 4.458 4.640 0.002 0.000 0.195 649 D C 1.995 178.352 176.300 0.095 0.000 0.997 649 D CA 1.415 55.549 54.000 0.223 0.000 0.840 649 D CB -0.090 41.003 40.800 0.488 0.000 0.947 649 D HN 0.330 nan 8.370 nan 0.000 0.452 650 L N 0.609 121.861 121.223 0.048 0.000 2.056 650 L HA -0.020 4.322 4.340 0.002 0.000 0.207 650 L C 2.174 179.071 176.870 0.046 0.000 1.078 650 L CA 1.814 56.684 54.840 0.049 0.000 0.749 650 L CB -0.741 41.357 42.059 0.066 0.000 0.901 650 L HN -0.043 nan 8.230 nan 0.000 0.433 651 A N -1.018 121.824 122.820 0.037 0.000 1.877 651 A HA -0.168 4.153 4.320 0.002 0.000 0.216 651 A C 2.253 179.972 177.584 0.226 0.000 1.186 651 A CA 2.145 54.251 52.037 0.115 0.000 0.620 651 A CB -1.179 17.838 19.000 0.029 0.000 0.822 651 A HN 0.282 nan 8.150 nan 0.000 0.443 652 V N -0.113 119.829 119.914 0.047 0.000 2.490 652 V HA -0.231 3.891 4.120 0.002 0.000 0.250 652 V C 3.016 179.024 176.094 -0.143 0.000 1.061 652 V CA 1.766 63.970 62.300 -0.159 0.000 1.064 652 V CB -1.201 30.253 31.823 -0.615 0.000 0.670 652 V HN 0.633 nan 8.190 nan 0.000 0.461 653 A N -0.299 122.481 122.820 -0.067 0.000 1.883 653 A HA -0.276 4.045 4.320 0.002 0.000 0.217 653 A C 2.224 179.759 177.584 -0.081 0.000 1.186 653 A CA 2.350 54.361 52.037 -0.044 0.000 0.624 653 A CB -0.499 18.498 19.000 -0.004 0.000 0.822 653 A HN 0.495 nan 8.150 nan 0.000 0.444 654 M N -0.476 119.099 119.600 -0.041 0.000 2.108 654 M HA -0.119 4.362 4.480 0.002 0.000 0.261 654 M C 2.258 178.520 176.300 -0.065 0.000 1.066 654 M CA 1.544 56.823 55.300 -0.035 0.000 1.107 654 M CB -0.601 32.060 32.600 0.102 0.000 1.356 654 M HN 0.496 nan 8.290 nan 0.000 0.406 655 G N -0.529 108.187 108.800 -0.140 0.000 2.422 655 G HA2 -0.127 3.834 3.960 0.002 0.000 0.218 655 G HA3 -0.127 3.834 3.960 0.002 0.000 0.218 655 G C 1.490 176.190 174.900 -0.332 0.000 1.146 655 G CA 0.802 45.651 45.100 -0.418 0.000 0.769 655 G HN 0.327 nan 8.290 nan 0.000 0.547 656 V N 0.691 120.492 119.914 -0.188 0.000 2.307 656 V HA -0.078 4.044 4.120 0.002 0.000 0.245 656 V C 2.807 178.911 176.094 0.017 0.000 1.045 656 V CA 0.977 63.239 62.300 -0.063 0.000 1.024 656 V CB -0.389 31.474 31.823 0.066 0.000 0.651 656 V HN 0.202 nan 8.190 nan 0.000 0.449 657 L N 0.654 121.879 121.223 0.003 0.000 2.013 657 L HA -0.198 4.143 4.340 0.002 0.000 0.212 657 L C 2.620 179.533 176.870 0.071 0.000 1.073 657 L CA 2.529 57.407 54.840 0.064 0.000 0.753 657 L CB -1.650 40.231 42.059 -0.297 0.000 0.890 657 L HN 0.355 nan 8.230 nan 0.000 0.432 658 A N -2.243 120.552 122.820 -0.041 0.000 2.019 658 A HA -0.159 4.162 4.320 0.002 0.000 0.219 658 A C 2.315 179.764 177.584 -0.224 0.000 1.164 658 A CA 2.082 54.069 52.037 -0.083 0.000 0.644 658 A CB -0.632 18.281 19.000 -0.145 0.000 0.805 658 A HN 0.463 nan 8.150 nan 0.000 0.449 659 T N -1.849 112.480 114.554 -0.375 0.000 2.866 659 T HA 0.017 4.368 4.350 0.002 0.000 0.250 659 T C 1.563 175.859 174.700 -0.674 0.000 1.033 659 T CA 1.416 63.138 62.100 -0.630 0.000 1.145 659 T CB -0.315 67.989 68.868 -0.939 0.000 0.866 659 T HN 0.594 nan 8.240 nan 0.000 0.434 660 Y N -0.552 119.570 120.300 -0.295 0.000 2.490 660 Y HA 0.318 4.869 4.550 0.002 0.000 0.285 660 Y C 0.356 175.682 175.900 -0.957 0.000 1.117 660 Y CA -0.029 57.701 58.100 -0.618 0.000 1.262 660 Y CB 0.283 38.316 38.460 -0.712 0.000 1.043 660 Y HN 0.105 nan 8.280 nan 0.000 0.553 661 F N 0.307 120.285 119.950 0.048 0.000 2.564 661 F HA 0.366 4.895 4.527 0.002 0.000 0.329 661 F C -2.108 173.709 175.800 0.029 0.000 1.458 661 F CA -2.805 55.221 58.000 0.043 0.000 1.117 661 F CB 0.700 39.735 39.000 0.058 0.000 1.383 661 F HN -0.142 nan 8.300 nan 0.000 0.571 662 P HA -0.065 nan 4.420 nan 0.000 0.230 662 P C 0.723 178.056 177.300 0.056 0.000 1.158 662 P CA 1.156 64.271 63.100 0.025 0.000 0.769 662 P CB 0.445 32.114 31.700 -0.052 0.000 0.807 663 D N -1.026 119.427 120.400 0.088 0.000 2.323 663 D HA 0.068 4.709 4.640 0.002 0.000 0.209 663 D C 1.148 177.500 176.300 0.086 0.000 0.973 663 D CA 0.458 54.500 54.000 0.070 0.000 0.874 663 D CB -0.233 40.608 40.800 0.068 0.000 0.930 663 D HN 0.242 nan 8.370 nan 0.000 0.521 664 M N -0.003 119.694 119.600 0.162 0.000 2.226 664 M HA 0.122 4.603 4.480 0.002 0.000 0.324 664 M C 0.302 176.654 176.300 0.088 0.000 1.112 664 M CA 0.780 56.191 55.300 0.185 0.000 1.176 664 M CB 1.049 33.836 32.600 0.311 0.000 1.430 664 M HN -0.297 nan 8.290 nan 0.000 0.462 665 T N 0.851 115.381 114.554 -0.040 0.000 2.956 665 T HA 0.299 4.650 4.350 0.002 0.000 0.312 665 T C -1.618 172.852 174.700 -0.383 0.000 1.151 665 T CA -0.572 61.356 62.100 -0.287 0.000 1.024 665 T CB 0.850 69.645 68.868 -0.123 0.000 1.140 665 T HN 0.454 nan 8.240 nan 0.000 0.473 666 Y N 2.813 122.687 120.300 -0.710 0.000 2.511 666 Y HA 0.486 5.037 4.550 0.002 0.000 0.332 666 Y C 0.032 175.845 175.900 -0.145 0.000 1.177 666 Y CA 0.112 57.990 58.100 -0.369 0.000 1.422 666 Y CB 0.064 38.331 38.460 -0.321 0.000 1.271 666 Y HN 0.679 nan 8.280 nan 0.000 0.550 667 K N 5.661 125.563 120.400 -0.830 0.000 2.426 667 K HA 0.681 5.002 4.320 0.002 0.000 0.251 667 K C -1.228 174.725 176.600 -1.078 0.000 0.941 667 K CA -0.391 55.461 56.287 -0.725 0.000 0.808 667 K CB 0.937 33.228 32.500 -0.348 0.000 1.265 667 K HN 1.195 nan 8.250 nan 0.000 0.432 668 V N 1.553 121.019 119.914 -0.746 0.000 2.585 668 V HA 0.522 4.643 4.120 0.002 0.000 0.296 668 V C -2.184 173.603 176.094 -0.512 0.000 1.035 668 V CA -0.875 61.031 62.300 -0.656 0.000 1.084 668 V CB 0.295 31.800 31.823 -0.529 0.000 0.953 668 V HN 0.865 nan 8.190 nan 0.000 0.483 669 P HA 0.000 nan 4.420 nan 0.000 0.216 669 P CA 0.000 62.954 63.100 -0.243 0.000 0.800 669 P CB 0.000 31.638 31.700 -0.103 0.000 0.726